smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCn1c(C(=O)O)c(CC(=O)Nc2ccccc2OC)c2ccccc21 4116131 ZXSLQSQKGULOFZ-UHFFFAOYSA-N 352.390 3.549 0 3 FHAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCO 4213695 CUQZUIVGIAJNPV-DLBZAZTESA-N 370.852 3.602 0 1 FHAF CC1=C(C(=O)Nc2ccccc2C(=O)NC2CCC(C)CC2)SCCO1 6894955 AUFSJQYHTPCTIO-UHFFFAOYSA-N 374.506 3.929 0 3 FHAF COc1ccc(NC(=O)Cc2cs/c(=N\c3ccccc3F)n2C)cc1 29125038 OUEKZLVJJYLRTK-QOCHGBHMSA-N 371.437 3.648 0 1 FHAF CC1(C)C(=O)C(O)=C[C@@H]2C1=CC[C@H]1[C@]3(C)CC(=O)C[C@@]3(C)CC(=O)[C@]12C 29042690 ZNVJUUJXCJWXED-SGBJRMOLSA-N 356.462 3.954 0 1 FHAF OCCCNc1ccc(-c2ncncc2Nc2cccc(Cl)c2)cn1 28106223 MGTIACDPECYKLL-UHFFFAOYSA-N 355.829 3.730 0 1 FHAF S=c1[nH]c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2[nH]1 28823963 GHQWVUHZBUDXSH-UHFFFAOYSA-N 368.506 3.817 0 1 FHAF O[C@@H](CNCc1c(F)cccc1F)Cn1c2c(c3ccccc31)CCCC2 73140454 AJFVBNAYZOSXSE-HNNXBMFYSA-N 370.443 3.949 0 1 FHAF Cc1ccccc1-n1c(=O)[nH]c2c(=O)oc3ccc(-c4ccncc4)cc3c21 210284024 YPTMEHRRRVVOAU-UHFFFAOYSA-N 369.380 3.796 0 1 FHAF CCCCCC(=O)N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199358373 HGYDWZOQLIOZFK-QGZVFWFLSA-N 350.890 3.918 0 3 FHAF CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCOC)ccc1-2 82152504 BPPDWWDEOPXCIP-UHFFFAOYSA-N 369.461 3.644 0 1 FHAF CC(C)c1nc2c(NCc3ccccc3)ncnc2n1C[C@@H]1CCCO1 82221647 ZSUXAVKOUPECNY-INIZCTEOSA-N 351.454 3.741 0 1 FHAF Cc1ccc2nc(Sc3cnc(N)s3)n(-c3ccccc3)c(=O)c2c1 96258057 ODAGZVIAGIOEFH-UHFFFAOYSA-N 366.471 3.884 0 1 FHAF C[C@H]1OCc2sc(NC(=O)CC(C)(C)C)c(C(=O)N3CC(F)(F)C3)c21 95562516 MWFWGBCEXJTOQK-SECBINFHSA-N 372.437 3.805 0 1 FHAF C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2n1 147089716 GUERACYCGKAFOU-NSHDSACASA-N 360.425 3.870 0 1 FHAF Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175184 SAAYANRXFINIFL-KBXCAEBGSA-N 366.486 3.669 0 1 FHAF O=C1CC(c2c(F)cccc2Cl)CC(=O)C1[C@@H]1NCCc2ccccc21 95932271 SVCCVGKQUGWXDB-CLMIIXDFSA-N 371.839 3.998 0 1 FHAF CC(=O)OC[C@]1(O)C[C@@]23CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]2CC[C@@H]1C3 238766805 PTVDSZPMJVQUCE-UAZVEYKWSA-N 362.510 3.892 0 1 FHAF COc1cncc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 587172573 IXTFYRYFCKVGPG-UHFFFAOYSA-N 368.343 3.562 0 1 FHAF O=C(O)C[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347961 BTQJHSJAFLLBKR-JBZDTAIVSA-N 370.376 3.904 0 1 FHAF Cn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587581128 KDZVERHJGQHXGD-AVRDEDQJSA-N 372.380 3.982 0 1 FHAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc[nH]c(=N)c2[nH]1 587033776 AQXRNRAOQIJHTL-ZDUSSCGKSA-N 365.462 3.856 0 1 FHAF C[C@]1(c2cc(F)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568585 FSOCVDMCHBQEJK-GHTZIAJQSA-N 365.360 3.991 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)NC(=O)OC(C)(C)C)CC2=O 587467702 BSBPUAUAMDHENV-MRXNPFEDSA-N 363.454 3.982 0 1 FHAF CC(=O)OC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592008 FZBDMXXKNXEURP-DYESRHJHSA-N 370.401 3.702 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cn(C)nc1C1CCCCC1)[C@@H](C2)C3=O 587433187 WBWXQKDWWVVPLM-BTYIYWSLSA-N 352.434 3.965 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H]2CC3=O)N1 587830180 TXFJLJQJXJVNPT-RSNHQYPWSA-N 352.247 3.707 0 1 FHAF Oc1c(Br)ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c12 587058502 GWOCRKLCEXSRFH-LBPRGKRZSA-N 353.603 3.766 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c[nH]c2ncc(Cl)cc12 963636491 RJYANNPEOONHOL-MLCYQJTMSA-N 357.841 3.857 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2cccnc2)(C2CCNCC2)N1 962946331 LLEBIIBHCWBXAZ-FDDCHVKYSA-N 360.505 3.730 0 1 FHAF CCc1ccc([C@@]2(C[C@@H](C)CC(=O)O)NCCc3ccc(O)cc32)cc1 963330308 WOEZVXYQGXNEQK-OYHNWAKOSA-N 353.462 3.845 0 1 FHAF Nc1c(C(=O)c2ccc(-c3cccnc3)cc2)cnn1-c1ccc(F)cc1 12365483 KSUBRNWNBRUYKF-UHFFFAOYSA-N 358.376 3.887 0 1 FHAF COCCn1ncc2c1[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C2 13672632 INEQZVGATSEVNJ-JBPLPALLSA-N 352.478 3.805 0 1 FHAF Cc1ccccc1Nc1ncc2c(n1)N(C1CCCC1)Cc1nnc(C)n1-2 1857565352 IQOIYEHZRVVEKO-UHFFFAOYSA-N 361.453 3.680 0 1 FHAF COCCCNC(=O)c1cnc(Nc2ccccc2OC)c2ccccc12 3894766 KSPPVCZFJMOXBK-UHFFFAOYSA-N 365.433 3.753 0 1 FHAF CCOc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCCC[C@H]23)cc1 6769452 MHPBXPOESZCFMH-WOJBJXKFSA-N 364.445 3.816 0 1 FHAF CC[C@@H]1CCCCN1CCCNc1nnc2c3ccccc3n(C)c2n1 6781620 IVBDPGDTOMAQFB-OAHLLOKOSA-N 352.486 3.583 0 1 FHAF CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1C[C@@H](C)C[C@H](C)C1 6797142 XIQWHFLGGWAWRD-RYUDHWBXSA-N 352.887 3.791 0 1 FHAF Cc1cnc(NC(=O)[C@@H]2C(=O)N3c4ccccc4Cc4cccc2c43)s1 100658655 PIBRNGNAWXYYQU-MRXNPFEDSA-N 361.426 3.756 0 1 FHAF C[C@@H](c1ccon1)N(C)C(=O)c1cc(-c2cn[nH]c2)nc2ccc(F)cc12 20541978 HEVBYRPUJASQLV-NSHDSACASA-N 365.368 3.585 0 1 FHAF O[C@H]1CCN(c2nc(Nc3cccc4c3CCCC4)c3ccccc3n2)C1 66079947 WIYQPXJYMAIZCA-INIZCTEOSA-N 360.461 3.823 0 1 FHAF CSc1cccc(CN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)c1 23191575 XUEBZSIVPLBMPB-RTWAWAEBSA-N 368.546 3.577 0 1 FHAF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC=O)[C@H]3CCC(C)=C[C@H]32)O1 2356505934 USVQIVNMRHBMAZ-ZEXGJKEESA-N 362.558 3.809 0 1 FHAF COc1ccc(NC(=O)C2=C(C)Nc3n[nH]cc3[C@H]2c2ccccc2)cc1 64436709 ZEQWRLBAHQPONM-LJQANCHMSA-N 360.417 3.888 0 1 FHAF O=C(O)CC1=C(c2ccc(Cl)cc2)N=C(S)N[C@H]1c1cccnc1 29467384 KSHHFARRHZDEDM-INIZCTEOSA-N 359.838 3.551 0 1 FHAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(C)cc1 62224626 PBCCBOZBVOJOIO-SFHVURJKSA-N 357.450 3.745 0 1 FHAF COc1cc(C)c(S(=O)(=O)Nc2c(C)nn(C(C)C)c2C)c(C)c1C 73199355 XCMYTGMZWSEJKG-UHFFFAOYSA-N 365.499 3.816 0 1 FHAF Cc1ccccc1-c1nc(C(=O)NCC(=O)OCCC2CCCCC2)co1 82072312 NLTVHFJVNGVHNL-UHFFFAOYSA-N 370.449 3.893 0 1 FHAF COC(=O)c1ccc2c(ccn2S(=O)(=O)c2c(C)cc(C)cc2C)c1 95595262 ATXZTMNUDUCLCW-UHFFFAOYSA-N 357.431 3.590 0 1 FHAF COC(=O)CC[C@@]12CC[C@H]3[C@@H](C)CN([C@@H]4C5=CCC[C@H]5CC[C@H]4[C@@]1(C)O)[C@H]32 238777503 INHPFJZKEVOOKI-ZHGNHHAWSA-N 373.537 3.536 0 1 FHAF Cc1cc(C)cc(C(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)c1 653791397 RONYVOGYCWOGFT-UHFFFAOYSA-N 357.417 3.848 0 1 FHAF Cc1cc(F)c2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 587148249 HAJNZPVJAKLFRB-LBPRGKRZSA-N 359.351 3.805 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)Nc1ccc(F)cc1 587870373 GOJTXSRXMFLXBQ-UHFFFAOYSA-N 371.343 3.506 0 1 FHAF C=Cn1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587763592 KJBDEBVZFMTFQF-ABKXIKBNSA-N 350.235 3.817 0 1 FHAF NC(=O)c1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587077658 WLVYAPGGSDRPSS-INIZCTEOSA-N 354.841 3.652 0 1 FHAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(I)cc2[nH]1 586910196 GRRWWNKJZGNCSW-GWCFXTLKSA-N 356.207 3.840 0 1 FHAF Clc1nccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1Br 586979022 FKUAYWAVGUXBPO-UHFFFAOYSA-N 352.575 3.770 0 1 FHAF FC(F)(F)COc1cc(-c2nc3ccc(Br)nc3[nH]2)ccn1 587092722 ZMZFWNRWTNGGIA-UHFFFAOYSA-N 373.132 3.724 0 1 FHAF COC(=O)Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525530 POACNDIZOQJXCR-FQEVSTJZSA-N 350.414 3.987 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc4cc(NC(C)=O)ccc4n1)[C@@H](C2)C3=O 587433722 VCHAUJFKJBGFIN-KSFYIVLOSA-N 374.396 3.691 0 1 FHAF CCOc1ccccc1[C@@](N)(c1nc2cc(Cl)cnc2[nH]1)C(F)(F)F 587091522 FEHCHBKKHPNQJY-OAHLLOKOSA-N 370.762 3.775 0 1 FHAF C=Cn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587762520 FRFSRJMFLBUOLM-FVMDXXJSSA-N 350.235 3.817 0 1 FHAF Oc1nc2cc3nc(CCNc4ccc(Br)cc4)[nH]c3cc2[nH]1 586997622 ZZKWIRIQOCGPNY-UHFFFAOYSA-N 372.226 3.562 0 1 FHAF Fc1cccc2c(-c3nc4c(Br)ncc(F)c4[nH]3)n[nH]c12 587176162 GBHQCNOGOFTROV-UHFFFAOYSA-N 350.126 3.542 0 1 FHAF C[C@]1(c2c[nH]ccc2=N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341509 ZAFGQRQTZCVMQS-PZJWPPBQSA-N 364.376 3.613 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCN(C)C 587864462 KDNDYQNKZQJCNF-UHFFFAOYSA-N 355.360 3.560 0 1 FHAF CO[C@@H]1[C@H](C)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C12CCC2 587599887 IQJOFGBRAOYHMQ-BYINPOPESA-N 366.413 3.928 0 1 FHAF CN(C)/C=C\[C@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587536278 TYTIMQDJQCYNJA-YBNHLDJLSA-N 354.475 3.958 0 1 FHAF COc1ccc2c(c1OC)[C@@H](c1ccc3cnn(C)c3c1)N(C)[C@H](C)C2 962636884 NSFCMUSUPGFWPD-ZUOKHONESA-N 351.450 3.556 0 1 FHAF Cc1cc2c(cc1O)[C@@](C)(c1cc3ccc(F)c(F)c3o1)N[C@H](C(=O)O)C2 963507058 HMNCMSMDKBAXSQ-XOBRGWDASA-N 373.355 3.587 0 1 FHAF COc1ccc(-n2nc3c4ccc(Br)cc4[nH]cc-3c2=O)cc1 1772637856 CAJJWNTVLDPILI-UHFFFAOYSA-N 370.206 3.590 0 1 FHAF CC1(C)C[C@@H](NC[C@H]2CCCO2)c2cc(C(=O)N3CCCCC3)ccc2O1 5070064 ILFBODCVZSUTDF-IEBWSBKVSA-N 372.509 3.684 0 1 FHAF CCC(=O)Oc1c2c(c(COC(C)=O)c3c(C)coc13)[C@@H](C)C[C@H](O)C2 13300442 CJDTZTGSFJDSGM-GWCFXTLKSA-N 360.406 3.530 0 1 FHAF biogenic C[C@@H]1C[C@@](O)(CC(=O)O)c2cc(Cl)c(OCc3ccccc3)cc2O1 13456229 MZAPNXXFUXSRII-CWTRNNRKSA-N 362.809 3.752 0 1 FHAF CCc1noc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C 13741070 AQWJVXRFKWWWJT-UHFFFAOYSA-N 359.451 3.565 0 1 FHAF CCNCc1nnc(C)n1-c1ccc(Cl)cc1C(=O)c1ccccc1 169333094 ASRTZSAHRJAXBV-UHFFFAOYSA-N 354.841 3.570 0 1 FHAF CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167030978 UDPAUZMNCPYPEV-CYBMUJFWSA-N 355.413 3.902 0 1 FHAF O=C(NCc1ccccc1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205710814 NQOIEZLHYRWVOS-BBTUJRGHSA-N 356.466 3.627 0 3 FHAF COc1ccc2[nH]cc(CCNc3ncncc3-c3c(C)noc3C)c2c1 4265085 YUPPGBDMGUTLTO-UHFFFAOYSA-N 363.421 3.893 0 1 FHAF COc1nc2ccc(CSc3ccc(C(=O)O)cc3)cc2nc1OC 1857744901 IFMUDPGGMMNZNS-UHFFFAOYSA-N 356.403 3.638 0 1 FHAF CC(C)(C)c1ccc(OCCCN2CCN(c3cccnc3)CC2)cc1 1857748288 DWCLOFJVHUBMBQ-UHFFFAOYSA-N 353.510 3.970 0 1 FHAF Cc1cc(C(=O)CCCCOc2ccc(C3=NCCO3)cc2)c(C)n1C 1649683 CPNRNRHXPSOFQA-UHFFFAOYSA-N 354.450 3.851 0 1 FHAF O=C(NC1CCCCCCC1)c1cccn2c(=O)c3sccc3nc12 2461898 IPWYSWZTDABIOB-UHFFFAOYSA-N 355.463 3.752 0 1 FHAF CO[C@@H]1C[C@H]2C[C@H]3c4c(c5cc(O)ccc5n4C=C2[C@@H](C)O1)CCN3C 5141584 DWIQQWDWFBHSLB-VLSDQLEDSA-N 354.450 3.518 0 1 FHAF CCS[C@H]1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@H]12 8297159 LPKLRSDXHJJJOO-ROUUACIJSA-N 352.459 3.642 0 1 FHAF biogenic CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)[C@H](C)c1ccc(F)cc1Cl 40880660 LGURHLFOVULKNO-BDJLRTHQSA-N 374.861 3.997 0 1 FHAF O=C1OC2(CCN(c3nc4cc(F)c(F)cc4[nH]3)CC2)c2ccccc21 40938327 QGOAHRMVFCYWPZ-UHFFFAOYSA-N 355.344 3.507 0 1 FHAF COC(=O)C1CCN(Cc2coc(-c3cccc4ccccc34)n2)CC1 72180666 AHDSWJPMURSREC-UHFFFAOYSA-N 350.418 3.880 0 1 FHAF c1cc(Cn2[nH]cc3nc(-c4ccc([C@@H]5CCCO5)s4)nc2-3)ccn1 103584572 AWQWMMNJJNUAAI-AWEZNQCLSA-N 351.435 3.734 0 1 FHAF CC(=O)Nc1cccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)c1 117565415 QBLXKDDYNLAVJN-UHFFFAOYSA-N 368.400 3.970 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc4oc(C)nc4c3)C2)cc1 142228735 LWEMDOQIGXDBFG-ZDUSSCGKSA-N 365.433 3.601 0 1 FHAF C/C=C/c1ccc(O[C@@H](C)[C@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 165858608 DIEIEAKVQCTJFH-DTTGGASTSA-N 374.433 3.952 0 1 FHAF Cn1c(CN2C[C@@H]3[C@@H](COc4ccc(Cl)cc4)[C@@H]3C2)nc2ccccc21 253665264 ARALLKJJFONPRY-PIIMJCKOSA-N 367.880 3.984 0 1 FHAF COC(=O)c1cc(Br)c2[nH]c(-c3occ4c3CCC4)nc2c1 586904840 CEJUVJYGKHYSDV-UHFFFAOYSA-N 361.195 3.861 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(C)=O)ccc3[nH]2)cc1 586937514 FUJZWEVIGJQLEA-GFCCVEGCSA-N 371.462 3.509 0 1 FHAF Cc1ccc(NC(=O)CSCCc2nc3c(C)nc(C)cc3[nH]2)cc1 586971417 XCOGXRNLSMRJOO-UHFFFAOYSA-N 354.479 3.798 0 1 FHAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc4c(cc3[nH]2)OCO4)cs1 587020352 OUOKZJGWPVVKQI-UHFFFAOYSA-N 374.422 3.686 0 1 FHAF Cc1ccc2c3c(c4c(nc13)C[C@H]1CNC(=O)C[C@H]41)-c1ccccc1C2=O 587097030 NSHQOUOKIHFGMQ-LRDDRELGSA-N 354.409 3.530 0 1 FHAF COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1OC 587149957 JEFWTGQOIWVTRF-SECBINFHSA-N 362.332 3.776 0 1 FHAF COc1ccc(NC(C)(C)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 587200930 BSKSEWOUKSANHK-UHFFFAOYSA-N 368.481 3.859 0 1 FHAF Cc1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1C 587202156 GDQQMFDEJRMMKI-INIZCTEOSA-N 367.405 3.622 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)O2 587385700 DZJXNMZQOHDUGB-RDJZCZTQSA-N 362.470 3.850 0 1 FHAF Cc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587407805 LBZQIXZPXLFFKO-NRFANRHFSA-N 353.418 3.920 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCc3cc(C(=O)O)ccc31)O2 587408600 QJVKRWNHGIEECW-OAQYLSRUSA-N 351.402 3.863 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cc(N4CCCC4)ccc1N)[C@@H](C2)C3=O 587442382 JBTLUJHMVLCZAA-HTAPYJJXSA-N 364.445 3.540 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(OC[C@H]4CCCO4)c1)[C@@H](C2)C3=O 587455181 KIGIYCDAJILYQE-TVTNDZMWSA-N 366.413 3.742 0 1 FHAF CC(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1C 587582548 PSOWVTFOSJOOOB-GHTZIAJQSA-N 364.401 3.952 0 1 FHAF CC(C)COC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592386 GWJBSOYVNOAOPA-NQIIRXRSSA-N 370.401 3.702 0 1 FHAF CCC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCOCC1 587613084 XKYNDIKUEUBXMG-YLJYHZDGSA-N 354.402 3.929 0 1 FHAF Cc1[nH]c2cccc(F)c2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1 587634752 QAOPINWICAQJKF-UHFFFAOYSA-N 370.384 3.947 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)nc2)N1 587738420 OGXLEJOWSAXXCD-JDNHERCYSA-N 353.210 3.920 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnccc2N(C)C)N1 587758038 WUDDGXXCNKBPRY-DYZYQPBXSA-N 364.262 3.673 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCn2cccn2)N1 587759077 KDFFFTISVBGRCN-BDJLRTHQSA-N 352.251 3.624 0 1 FHAF COc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587851877 DAIXGOCJWKKOLO-UHLUBPPHSA-N 357.248 3.677 0 1 FHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2scnc2C2CC2)N1 962964227 JRYXAOVEDVAFDS-QMTHXVAHSA-N 370.808 3.640 0 1 FHAF O[C@@H](Cn1ccnc1)c1ccc(OCc2ccc(Br)cc2)cc1 1857633798 BLSSFSDCOMRPNL-SFHVURJKSA-N 373.250 3.958 0 1 FHAF Cc1ccc(NC(=O)c2cc(=O)c3cc(/C=C/C(=O)O)ccc3o2)cc1C 1857774885 OFVHMGWYGRSMSQ-VMPITWQZSA-N 363.369 3.760 0 1 FHAF O=C1OC[C@H]2CCN(Cc3ccc(F)c(F)c3)Cc3ccc(F)cc3N12 2356290079 JEOLLODCPOZZOI-OAHLLOKOSA-N 362.351 3.835 0 1 FHAF CC(C)(C)OC(=O)N1O[C@H]2C[C@H]1[C@H]1[C@@H]2N=NN1C12CC3CC(CC(C3)C1)C2 2356322344 SGSWOUZDWXBBJQ-QGAKIBRXSA-N 374.485 3.698 0 1 FHAF CO[C@@H]1C[C@H](CC[C@@]2(C)[C@@H]3CCC=C(CO)[C@]3(CO)CC[C@H]2C)CO1 2356427567 FECFLNMGJZPFNI-MTAVFLJRSA-N 352.515 3.519 0 1 FHAF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC=O)[C@@H]3CCC(C)=C[C@@H]32)O1 2356505933 USVQIVNMRHBMAZ-TVASPAASSA-N 362.558 3.809 0 1 FHAF COc1ccc([C@@](C)(O)c2nc(-c3cccc(C(=O)O)c3)cs2)cc1 61927567 FVPRCIHVEOARSP-LJQANCHMSA-N 355.415 3.773 0 3 FHAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3oc4ccccc4c3C)C[C@H]12 74378678 TVHZPSDZERZFAC-PKOBYXMFSA-N 360.413 3.925 0 3 FHAF O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2466541 GMINBRNEPLYLJJ-NHCUHLMSSA-N 369.424 3.557 0 1 FHAF CCN(CC)c1nc(C)nc2c1sc(=O)n2-c1c(C)cc(C)cc1C 3981771 WZYHIJMYUYBCBW-UHFFFAOYSA-N 356.495 3.922 0 1 FHAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H]([C@@H](O)C[C@H]3CCC(C)(C)N3C)[C@@H]12 28367265 MSKMNIYJSITCIE-XSWYFRFISA-N 363.542 3.614 0 1 FHAF CCCN1C(=O)c2ccccc2[C@@]1(OCCCO)c1ccc(Cl)cc1 28132011 GMBDGYALRVIIKT-FQEVSTJZSA-N 359.853 3.806 0 1 FHAF Cc1ccc(NC(=O)c2c(NO)cc(-c3ccc(F)cc3)oc2=O)cc1 103241652 TYRPKAOJZRTXPO-UHFFFAOYSA-N 354.337 3.808 0 1 FHAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2cccc(OC)c2)cc1 100109187 MTMZDUHOOXWDOG-UKTBEZCDSA-N 363.461 3.700 0 1 FHAF COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CSC3)c(F)c2)c1 28523000 WYUBDBDYCRQNCK-UHFFFAOYSA-N 373.405 3.568 0 1 FHAF COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3OC)[nH]n2)c(C)c1 61898597 FXPGJVPZNJRZDD-UHFFFAOYSA-N 355.369 3.794 0 3 FHAF CCNC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801399 BQWMLHMOZSVPKK-LMAWBCBHSA-N 360.542 3.602 0 1 FHAF CN(C)C(=O)c1cccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 72184728 SQQNYAIDNSSHEM-OAQYLSRUSA-N 366.848 3.721 0 1 FHAF Cc1nnc(-c2ccn3c(-c4cccc(NC(=O)NC5CC5)c4)cnc3c2)o1 139633833 BRQWTVSJEXYHIA-UHFFFAOYSA-N 374.404 3.644 0 1 FHAF CCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 40876200 FGVJIXQZYKSQKY-OAHLLOKOSA-N 353.418 3.575 0 1 FHAF CCC[C@H](C)Nc1nc(C)cc(NCCC(=O)Nc2ccc(OC)cc2)n1 45201443 ARDJGMNILSFSGP-AWEZNQCLSA-N 371.485 3.835 0 1 FHAF CC[C@@H](NC(=O)N1CC(=O)Nc2cccnc21)c1ccc(C2CC2)cc1 143572029 RTAWJAGHOPBLCR-MRXNPFEDSA-N 350.422 3.578 0 1 FHAF Cc1nn(CC(=O)N2c3ccccc3Sc3ccccc32)c(=N)s1 653787462 VLQVVLPJBOTZFE-UHFFFAOYSA-N 354.460 3.562 0 1 FHAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 586890760 OTRWTABFIUSSQW-IIBYNOLFSA-N 365.477 3.541 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Cl)cc(F)c2[nH]1)C(C)C 586933431 RFPBLIQIFMRXAS-ZDUSSCGKSA-N 361.870 3.772 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2F)N1 587733931 PIDCYMFHIJYTDZ-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF Cc1nccc2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc12 587202264 CZKYWKOFSUISBD-UHFFFAOYSA-N 351.410 3.783 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cccc(N)c1)CC2=O 587473585 YCFCZBHPUMPDJI-OAQYLSRUSA-N 369.417 3.652 0 1 FHAF COc1cc2c3c(c1)O[C@H](C1CCN(Cc4ccccc4)CC1)[C@@H](C2)C3=O 587445379 WGTBBFOICAELCD-WMZHIEFXSA-N 363.457 3.723 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(C(=O)OC)c1)CC2=O 587466777 OBYCQNDWQMPWBD-SFHVURJKSA-N 358.365 3.977 0 1 FHAF CCOc1ccccc1[C@@](N)(c1nc2cccc(F)c2[nH]1)C(F)(F)F 587092873 OFXWWDKVEFGQPM-MRXNPFEDSA-N 353.319 3.865 0 1 FHAF COCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587827502 JTFNEOUXYJGVMR-JDNHERCYSA-N 354.219 3.951 0 1 FHAF FC(F)(F)C(F)(F)c1cc2nc(Cc3csc4nccn34)[nH]c2cn1 587040861 SQOSDKANXYXYML-UHFFFAOYSA-N 373.310 3.912 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N(C)C)N1 587754395 JNBANRBZRINFMR-QFYYESIMSA-N 364.262 3.673 0 1 FHAF O=C(/C=C/c1nc2c(F)cnc(Br)c2[nH]1)Nc1ccccc1 587243410 DGFSDIFJNFPPQX-VOTSOKGWSA-N 361.174 3.511 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cccs2)N1 587849240 RPWMUWJZMDNZMW-VXJOIVPMSA-N 370.243 3.512 0 1 FHAF CC[C@@]1(c2c(C)nn(C)c2C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962628884 QSAKPSUSDZBZAX-ASSNKEHSSA-N 357.498 3.584 0 1 FHAF Cc1sc2c(c1C)CCN[C@@]21[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)OC(C)(C)C)[C@H]31 963018502 GHEFRCNGLVXGCW-IEBLYUSBSA-N 374.550 3.981 0 1 FHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc(-c3cccc(O)c3)cc2)N1 962924581 UBDQMFLQHLPLBU-LEWJYISDSA-N 363.388 3.887 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@]3(CC4(CCC4)Oc4ccccc43)c3cccc1c32 963018880 CWZIGNYVZRCANQ-IQMFZBJNSA-N 360.457 3.689 0 1 FHAF CCOC(=O)[C@@]1([C@H]2CCCC2=O)c2ccsc2CCN1Cc1ccco1 962709984 KSEADWUKDHLUJH-MGPUTAFESA-N 373.474 3.527 0 1 FHAF Cc1cc(=O)c(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581171 WJMZUULFKISOCN-UHFFFAOYSA-N 358.390 3.825 0 1 FHAF O=C(c1ccco1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 13745274 GBGWXODPPMUZDF-UHFFFAOYSA-N 373.372 3.553 0 1 FHAF COc1ccc(CCCCNCCOc2cc(O)cc3c2OCCC3)cc1 13761780 ZGICPBLSOPGEDI-UHFFFAOYSA-N 371.477 3.717 0 1 FHAF COc1cc2c(cc1OC)[C@H](CCc1ccc3c(c1)OCO3)N(C)CC2 15148838 AGCGPVWWLORMQV-KRWDZBQOSA-N 355.434 3.594 0 1 FHAF biogenic O=C(NCc1ccoc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166346759 ABZGDBQRFVSZLX-UHFFFAOYSA-N 361.401 3.757 0 1 FHAF C[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3ccc4c(c3)OCO4)C2)[C@H]2CCCCN12 201480098 CMLKFHPJDHOMMK-DZGGMBSHSA-N 358.438 3.615 0 3 FHAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1 774024 DBCWTNCMLILUIS-MRXNPFEDSA-N 366.417 3.518 0 1 FHAF CCC1(CC)C[C@H](CN2CCC(c3nc4ccccc4[nH]3)CC2)OC1=O 103202845 FXPSFBYHZCBQKL-MRXNPFEDSA-N 355.482 3.864 0 1 FHAF NC(=O)c1cc(-c2ccnc(Nc3ccccc3)n2)[nH]c1-c1ccccc1 64526969 ULBMJFDNOMWCTI-UHFFFAOYSA-N 355.401 3.981 0 1 FHAF COC(=O)[C@]1(C)CCC[C@]23[C@H](O)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@H]21)[C@@H]43 2356565138 QHXCPQZUMLSNGR-ODDARHDFSA-N 360.450 3.778 0 1 FHAF CCNS(=O)(=O)c1cccc(-c2ccc(CCN3CCC[C@@H]3C)cc2)c1 43021130 YQBFPGRFUPNGEQ-KRWDZBQOSA-N 372.534 3.679 0 1 FHAF COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)cc1F 49034946 HSKCETLIRMHPBS-MRXNPFEDSA-N 374.412 3.641 0 1 FHAF COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCC(C)C)n2)cc1 82197832 QPNVJLOAAAVMSD-KRWDZBQOSA-N 359.495 3.560 0 1 FHAF COCCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1 82132235 MKVWDMRECBZRRT-UHFFFAOYSA-N 368.481 3.655 0 1 FHAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C)nc2)nc1 149507724 RHMDAALVGLZJPI-AEFFLSMTSA-N 362.433 3.742 0 1 FHAF N[C@H](CNc1nc(-c2ccncc2)cc2cnccc12)Cc1ccccc1 95560814 UNULBQHMZBESJQ-IBGZPJMESA-N 355.445 3.674 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CC(=O)N[C@@H]1CCOc2ncccc21 146525042 BJKVMKCJNMEKNR-OAHLLOKOSA-N 351.233 3.879 0 1 FHAF COc1ccc(NC(=O)c2cc(-c3cnccn3)nc3ccccc23)cc1 95576024 UZAYVKZINRVFFI-UHFFFAOYSA-N 356.385 3.953 0 1 FHAF CC[C@@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23 95552753 JDKSZSKJOBLXNT-OAHLLOKOSA-N 354.450 3.798 0 1 FHAF O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3cncs3)c2C1 2382217727 NTESCRHVSFYFIP-UHFFFAOYSA-N 359.842 3.777 0 1 FHAF COc1cc(-c2cc(-c3ccc(O)cc3)cnc2N)cc(OC)c1OC 299837044 PCGVHKSBFKSOEH-UHFFFAOYSA-N 352.390 3.729 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccnc2Cl)N1 587705658 NJQLWEJSVAYBDQ-AYVTZFPOSA-N 370.653 3.829 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(F)c1-n1cccn1)[C@@H](C2)C3=O 587424848 WHXYWOSOBWEXJM-XOBRGWDASA-N 350.349 3.509 0 1 FHAF O=C(NCCc1nc2cc(Cl)c(Cl)nc2[nH]1)OCc1ccccc1 587228004 DGNIRMFXWDZHSC-UHFFFAOYSA-N 365.220 3.734 0 1 FHAF O=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(F)cc2O1 587508318 PATHNFHUHZUETN-NRFANRHFSA-N 352.361 3.874 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)CCC(=O)N3C)CC2=O 587489930 XAYHLELOLRARHR-FQEVSTJZSA-N 365.429 3.960 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C)c2C(F)F)N1 587714001 DSNXZBMFIIJXNK-CPFSXVBKSA-N 374.204 3.883 0 1 FHAF COc1ccc(C2(c3nc4ccc(C(N)=O)cc4[nH]3)CC3(CCC3)C2)cc1 587934535 CHUHFKQDRUCIAI-UHFFFAOYSA-N 361.445 3.921 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@]1(C)CCN(C(=O)OC(C)(C)C)C1)O2 587395509 NIWYIKKWVOSIBR-OXQOHEQNSA-N 360.454 3.558 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ncccc2[nH]1 587585970 AFAVQIXJLYDDHR-NQIIRXRSSA-N 358.353 3.971 0 1 FHAF COC(=O)c1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cn1 586980483 SNKYLJPJHCEVKN-UHFFFAOYSA-N 366.602 3.827 0 1 FHAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 587069399 JRYOLYKQGYBTPU-SSDOTTSWSA-N 364.883 3.960 0 1 FHAF CC(C)CCOC(=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587795125 QSGPPZQSDCEOIM-DIFFPNOSSA-N 372.278 3.927 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(CN4CCCC4)cs1)[C@@H](C2)C3=O 587449878 FIEWUYRCBCZTGB-MGPUTAFESA-N 355.459 3.841 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2F)N1 587729800 HSPSROICSADKGN-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF COC(=O)c1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cn1 587075676 KSCAODKRWNZFLX-UHFFFAOYSA-N 367.796 3.559 0 1 FHAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccc(OC(F)F)cc1 587634462 ZUPCJDVWBIRTLX-UHFFFAOYSA-N 363.291 3.926 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(N(C)C)cc3)CC1)O2 587395223 LWURJYXKWTYRIS-UHFFFAOYSA-N 365.477 3.648 0 1 FHAF C[C@]1(c2cc3c(cc2N)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587510354 KJUZGAAYJSIBGI-JOCHJYFZSA-N 365.429 3.799 0 1 FHAF COCc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587775030 YDXJNVJFRXHNNL-BTDLBPIBSA-N 365.246 3.753 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2n[nH]cc2c1 587594139 KMNOYSGIJVBIPJ-GHTZIAJQSA-N 358.353 3.971 0 1 FHAF Cc1cc2c(cc1O)[C@H]([C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@H](C(=O)O)C2 963512439 WGMHGFSZFVHFBY-ILHHOCCXSA-N 357.372 3.709 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ncc(Br)cc2N)N1 962945693 JSOOJJIBXRVZAL-ADLMAVQZSA-N 371.282 3.921 0 1 FHAF COc1cccc2cc3c(nc12)[C@@H](c1cnc(-c2ccco2)nc1)NCC3 963036790 OKWZMWZPYDFIGU-LJQANCHMSA-N 358.401 3.529 0 1 FHAF CCCNCc1ccc2c(Br)cc(Br)c(O)c2n1 1857748958 USFVJWDYJRWGNI-UHFFFAOYSA-N 374.076 3.965 0 1 FHAF CCOC(=O)COc1cc2c(cc1[C@@H](C)c1ccc(OC)cc1)OCO2 5829136 YVAUIKKHGQLATI-ZDUSSCGKSA-N 358.390 3.518 0 1 FHAF COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@@H]1c1cccc(F)c1 169368013 ACZFESORWKUUIJ-YJBOKZPZSA-N 360.816 3.998 0 3 FHAF CC(C)C(C/C=C1/C[C@@](CO)(COC(=O)c2ccccc2)OC1=O)C(C)C 1655267 LBUKYFWZBTXWFE-JRWCFKBVSA-N 374.477 3.766 0 1 FHAF O=C(O)[C@@H]1CCCN(CCOCCc2ccccc2Cc2ccccc2)C1 3809984 SHTCAROYCPQWRW-JOCHJYFZSA-N 367.489 3.633 0 1 FHAF CCCCN=c1[nH]c(=N)[nH]c2ccc(CCc3ccc(N(C)C)cc3)cc12 1857754128 YRNJOWQNYCHJOA-UHFFFAOYSA-N 363.509 3.527 0 1 FHAF COc1ccccc1OC1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 103269863 QFZSYODICSAJRA-MOPGFXCFSA-N 366.461 3.804 0 1 FHAF O=C(N[C@H]1CC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66073991 OIGAFTWBRBUMAJ-QWRGUYRKSA-N 374.746 3.657 0 1 FHAF Cc1cccc2scc(Cn3c(=O)n(CCC(=O)O)c4ccccc43)c12 72178345 XAIBYEBSDCVCAA-UHFFFAOYSA-N 366.442 3.849 0 1 FHAF Cc1cc(Cl)ccc1CCC(=O)Nc1sc(C)c(C)c1C(N)=O 66075058 TZECSHWTZIVAMA-UHFFFAOYSA-N 350.871 3.997 0 1 FHAF CS(=O)(=O)c1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1 29135777 ISDOBRKFHOTWSA-UHFFFAOYSA-N 355.415 3.561 0 1 FHAF COc1ccc([C@H]2NC(S)=NC(c3ccccc3)=C2CC(=O)O)cc1 29466801 LUCAVZIDMZCQMG-GOSISDBHSA-N 354.431 3.511 0 1 FHAF O=C1NC[C@@H](c2ccc(C(F)(F)F)c(F)c2)N1c1ccc2[nH]cnc2c1 116829094 GEKJXKIWDRDNBM-HNNXBMFYSA-N 364.302 3.992 0 1 FHAF C[C@@H]1[C@H](c2ccccc2)OCCS(=O)(=O)N1Cc1cccc(Cl)c1 36382958 XCFQNXTYZKIFRK-RDTXWAMCSA-N 365.882 3.632 0 1 FHAF O=S(=O)(Nc1ccncc1Nc1ccc(Cl)cc1)C(F)(F)F 49017979 BJSHRSBHYAVRGG-UHFFFAOYSA-N 351.737 3.740 0 1 FHAF C[C@@H]1Cc2c([nH]c3cc(F)c(F)cc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 49050700 JZCVYBQWYSYJEA-YLVJLNSGSA-N 373.790 3.829 0 1 FHAF O=C(NCc1ccc(Oc2ccccc2)cc1)[C@@H]1COc2ncsc21 220860948 FWXYBQGCCJQOSN-MRXNPFEDSA-N 352.415 3.728 0 1 FHAF COc1ccc(CCc2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1 45317566 GBHLSVHJPUPDIJ-UHFFFAOYSA-N 368.437 3.569 0 1 FHAF COC(=O)C1=CC=C[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)C3=C(O)C[C@@]12C 238773408 SFQIKRASGYFAPZ-GQSCTRQFSA-N 370.401 3.781 0 1 FHAF COc1cc2c(cc1[C@H]1COc3cc(O)cc(O)c3C1=O)C=CC(C)(C)O2 49600268 WDJAZIFUJKIZSU-CQSZACIVSA-N 368.385 3.650 0 1 FHAF biogenic COC(=O)C[C@@H]1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806030 IKNKXJBRMBOVRL-DINDLPBHSA-N 370.262 3.681 0 1 FHAF COc1ccc(C)cc1NCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 587229232 SMTNQUWVRJFFHB-UHFFFAOYSA-N 365.359 3.685 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)c(Cl)cc2[nH]1 587223154 AGDZMEOWYIMHQX-JTQLQIEISA-N 364.232 3.953 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CCc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587453516 OZFJZOZLINOMBR-BTYIYWSLSA-N 352.386 3.563 0 1 FHAF N=C(N)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587243100 ACAUDMRJIXZTBA-UHFFFAOYSA-N 355.401 3.766 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@]1(C)CCN(C(=O)OC(C)(C)C)C1)O2 587395508 NIWYIKKWVOSIBR-OXJNMPFZSA-N 360.454 3.558 0 1 FHAF Cc1ccc(F)c2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587507503 NBWIZLFZZCYUPI-NRFANRHFSA-N 351.377 3.826 0 1 FHAF CC(C)OC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792650 LTDBDRDNSSDBTQ-QLJPJBMISA-N 358.251 3.679 0 1 FHAF O=Cc1ccc(OCCc2nc3ccc(Br)c(F)c3[nH]2)cc1 587566400 KXRBXQGDGFZSHW-UHFFFAOYSA-N 363.186 3.899 0 1 FHAF COc1cc(-c2nc3ccc(F)c(C)c3[nH]2)ccc1OCC(=O)NC(C)C 587226215 VUMGHCRMQWBMKV-UHFFFAOYSA-N 371.412 3.589 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587233169 JLGLQMYKBNGVAM-JOYOIKCWSA-N 363.389 3.561 0 1 FHAF CN1CCN(c2ccc3[nH]c(-c4ccc(OC5CCC5)cc4)nc3c2)CC1 587951793 RIXIXJAPQSMCAS-UHFFFAOYSA-N 362.477 3.913 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccccc1F 587870735 HHDYLUPJGVXYOL-UHFFFAOYSA-N 357.360 3.979 0 1 FHAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1C[C@H]2CC[C@H]1C2 587276943 VDKOEYCMYZKISI-ATZCPNFKSA-N 350.212 3.702 0 1 FHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cncnc2[nH]1)c1cccc(Cl)c1 587072334 USFXZTMECBSVGT-CYBMUJFWSA-N 373.844 3.815 0 1 FHAF Cc1ncc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C)c1Br 586978835 JYIGWJAUYDSJNG-UHFFFAOYSA-N 364.174 3.842 0 1 FHAF Fc1cc(Br)cnc1-c1nc2ccnc(Br)c2[nH]1 587155890 UTNZNUUTTNIADY-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF Cc1nccc2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc12 587258286 FHHMVPSCFUJKTD-KRWDZBQOSA-N 359.433 3.838 0 1 FHAF CCCn1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587758734 XXWRZGSGUFALNB-QLJPJBMISA-N 352.251 3.818 0 1 FHAF Cn1c(SCc2ccc(Cl)cc2)nc2cc(C(=O)O)ccc2c1=O 13199135 KLRBMVBBHBOQHX-UHFFFAOYSA-N 360.822 3.577 0 1 FHAF COc1cc(CCNCc2ccc(F)cc2)c(OC)cc1Br 13737380 ZSGMNPIMGAQGNZ-UHFFFAOYSA-N 368.246 3.938 0 1 FHAF N=C(Nc1ccc(CCCCO)cc1)Nc1ccc(CCCCO)cc1 13780935 BWTKYVRNYCIYPH-UHFFFAOYSA-N 355.482 3.775 0 1 FHAF C[C@H]1[C@@H](NC(=O)Nc2ccc(F)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206044638 OKZNLCJBIYYZFN-BBTHKVSRSA-N 373.472 3.907 0 3 FHAF CS(=O)(=O)c1ccc(/C=C/c2nc(O)c3cc(Cl)ccc3n2)cc1 1857574241 JIDWVIWLWCTWPH-RUDMXATFSA-N 360.822 3.563 0 1 FHAF COC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 26389300 AIFCUVNKIXTICB-ITNQHEPMSA-N 359.510 3.709 0 1 FHAF CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC3CCC2CC3)C[C@@H]2CCCC[C@@H]21 26471572 WYPMSEKLGWBBMV-YKFHYGQGSA-N 362.514 3.956 0 1 FHAF Cc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1 28708325 HAWIAGQHDCBUDW-ZDLGFXPLSA-N 358.401 3.973 0 1 FHAF COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)c2ccc(F)c(Cl)c2)cc1 45301928 LDARYHYLQKXGTR-XIKOKIGWSA-N 365.832 3.520 0 1 FHAF COc1ccc(CC(C)(C)NC[C@@H](O)COc2ccccc2Cl)cc1 45497475 WEWRQVNILIMKLK-MRXNPFEDSA-N 363.885 3.699 0 1 FHAF O=C(Nc1ccc(Cl)cc1)c1ccc(C(F)(F)P(=O)(O)O)cc1 49032869 GBLFATMXGLLWEJ-UHFFFAOYSA-N 361.668 3.819 0 1 FHAF O=C1NC(=O)/C(=C/c2ccc(OC(=O)c3cccs3)c(Cl)c2)S1 96282298 VWANYMOSWSIPGL-GHXNOFRVSA-N 365.819 3.945 0 1 FHAF Cc1cc2c(cn1)OC[C@H]2NC(=O)Cc1cccc(C(F)(F)F)c1Cl 146622469 SOHGRLXDYNCANK-CYBMUJFWSA-N 370.758 3.855 0 1 FHAF CC(C)C(=O)Nc1ccccc1S(=O)(=O)Nc1cccc2cccnc12 201600960 RDHCTRPVZCEFTP-UHFFFAOYSA-N 369.446 3.630 0 1 FHAF COC(=O)/C1=C\C=C(\C(C)C)CCC2=CCC[C@@](C)(OC2=O)C(=O)CC1 238774403 SSRWHVBVQPAITB-KTNHHQTJSA-N 360.450 3.833 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 586921545 BZOUPSDGIBEGID-UHFFFAOYSA-N 370.808 3.879 0 1 FHAF CS(=O)(=O)/C=C\c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586923479 MTPWIGWOZHUOLI-IHWYPQMZSA-N 358.263 3.616 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586950820 NCVKUZVLVLHRQU-UHFFFAOYSA-N 356.234 3.908 0 1 FHAF Cc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1C 587148632 JCLKLGJJIGUYRT-AWEZNQCLSA-N 355.388 3.974 0 1 FHAF N[C@@H]1CC[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C1 587246838 POHITZPGGABABU-NKWVEPMBSA-N 364.165 3.819 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3ccc(Br)cn13)O2 587374791 ZGUWVFSNXQWBGL-OAHLLOKOSA-N 372.222 3.694 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCCC[C@@H]1Cn1ccnc1)[C@@H](C2)C3=O 587431687 QICRMDJTQLZJSR-LDBYXDLTSA-N 352.434 3.658 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(C(=O)OC)c1)CC2=O 587478369 JFMIHQMJFSUKEZ-NRFANRHFSA-N 370.401 3.718 0 1 FHAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO 587526487 STQHPPZDWBVOIR-QFIPXVFZSA-N 352.430 3.947 0 1 FHAF CC(C)COc1cccc(OCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 587565488 BXFWZTFEPKFOAW-UHFFFAOYSA-N 374.462 3.580 0 1 FHAF Cn1cc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2n1 587582825 RHNZKAFNHMXNGA-GCJKJVERSA-N 372.380 3.982 0 1 FHAF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@@](O)(c1nccn1C)C(F)(F)F 587630260 XCBWMUIDPFAXFY-CQSZACIVSA-N 361.726 3.801 0 1 FHAF COc1ccc(C)cc1C(=O)CCc1nc2cc(C(=O)O)c(F)cc2[nH]1 587787722 QWFYOGFQUASRHW-UHFFFAOYSA-N 356.353 3.533 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@@H]([C@@H]2NCCc3cnc4c(OC)cccc4c32)C1 963047827 QBAAOFMKLJDYFM-SXGZJXTBSA-N 368.477 3.800 0 1 FHAF COc1ccccc1[C@@]1(c2ccc(Cl)nc2)NCCc2c(C)ccnc21 963067230 IOQQWIDUQHUFOU-OAQYLSRUSA-N 365.864 3.885 0 1 FHAF CCn1c(C(=O)NCCCN2CCc3ccccc3C2)cc2sccc21 4102012 UXRRIDYXTYCVLB-UHFFFAOYSA-N 367.518 3.901 0 3 FHAF COc1ccccc1C(=O)[C@@H]1C(=O)N[C@]2(C)C[C@H]1c1cc(Cl)ccc1O2 2963833 VEUYTYUFIYBKAF-NQYLQCIDSA-N 371.820 3.560 0 1 FHAF CC(C)CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3 2974292 TZDNSKSNBUAPAQ-UHFFFAOYSA-N 358.419 3.515 0 1 FHAF CC(=CCOc1c2occc2cc2ccc(=O)oc12)C[C@H]1C=CC(=O)O1 2356397264 LJOQBYPPAKFCAK-OAHLLOKOSA-N 352.342 3.736 0 1 FHAF CCn1c(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)c2ccccc21 29136130 BYYVUQDVXPAHPW-UHFFFAOYSA-N 354.406 3.500 0 1 FHAF COc1ccc2nc(NS(=O)(=O)c3cc(Cl)ccc3Cl)oc2c1 28572823 MACDMPZXDDUYDC-UHFFFAOYSA-N 373.217 3.944 0 1 FHAF COC(=O)C1=C[C@@]23CCCC[C@@H]2[C@H]2C[C@H]([C@@H]4CCC[C@@H](C)N4)[C@@](C)(O3)[C@@H]12 2356846452 ONZIOCUDSJAMDE-PKKXWUNMSA-N 359.510 3.600 0 1 FHAF CCC(C)(C)[C@H]1CCc2n[nH]c(C(=O)NCc3ccc(OC)cc3)c2C1 36387440 NCUNEPMIPFBQHY-HNNXBMFYSA-N 355.482 3.889 0 3 FHAF Cc1c(Cl)cccc1Oc1cccn2c([C@H]3CCNC(=O)CC3)nnc12 72107570 IXNVHFQLZNCJJN-CYBMUJFWSA-N 370.840 3.867 0 1 FHAF COc1ccc([C@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cn1 72113001 BYJUDJGGGMAIRI-KGLIPLIRSA-N 359.792 3.621 0 1 FHAF CCCOc1nn2cc(-c3ccc(OCCOC)c(OC)c3)nc2cc1C 72173504 KBAHIYKVYAPVPV-UHFFFAOYSA-N 371.437 3.527 0 1 FHAF CC(=O)[C@H](C)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101543 CKIZKPAUEJIIQZ-YCRPNKLZSA-N 371.912 3.856 0 1 FHAF CCNC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccccc1 49115502 LZFIENNGPGPYQG-QFIPXVFZSA-N 366.461 3.537 0 1 FHAF CCN(CC)CCCC(=O)NCCNc1ccnc2cc(Cl)ccc12 45348436 HFIMZGVZUHEUMX-UHFFFAOYSA-N 362.905 3.538 0 1 FHAF CCO[C@H]1C[C@H](O)C2=C3c4cccc(O)c4C(=O)C[C@@H]3c3ccc(O)c1c32 82150359 DSVFBOXMAJTYHV-DQYPLSBCSA-N 364.397 3.534 0 1 FHAF C[C@](N)(CO)C(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 40892669 NKKSHQTTYVUPTP-QFIPXVFZSA-N 362.429 3.794 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@]23CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]2CC[C@H]1C3 238755858 PTVDSZPMJVQUCE-YHOAHWDJSA-N 362.510 3.892 0 1 FHAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@H]1CCOc2ncccc21 146662213 CHNTZBLFCZMPLX-ZDUSSCGKSA-N 370.758 3.936 0 1 FHAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 96172963 QKQLEKYLQIWRMW-CQSZACIVSA-N 351.450 3.704 0 1 FHAF COc1cc2c(cc1OC1CCCC1)CN(C(=O)c1ccncc1)CC2 473247552 FUKKHTDLZPZZOU-UHFFFAOYSA-N 352.434 3.610 0 1 FHAF O=C(NCc1ccccc1C(F)(F)F)c1ccc([C@H]2C[C@@H]2C(=O)O)cc1 653807421 AWWROVFOHVYUCT-CABCVRRESA-N 363.335 3.824 0 1 FHAF CC(C)CN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582193 KQEXQUGZEYWIBF-LJQANCHMSA-N 367.445 3.844 0 1 FHAF CC(=O)OC[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790128 FMXLTZRIPFTABN-BTDLBPIBSA-N 372.278 3.927 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](OCC)C12CCOCC2 587481258 BBXMXIYUYLPVCN-NQIIRXRSSA-N 360.450 3.654 0 1 FHAF COc1cc(OC)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 587004269 SDRKJLICNHTIRJ-UHFFFAOYSA-N 373.210 3.886 0 1 FHAF CC[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605613 AFSPKQRAZYDHPV-WIYYLYMNSA-N 354.402 3.929 0 1 FHAF Oc1cccc([C@H](O)c2nc3cc(Br)cc(Cl)c3[nH]2)c1 586887975 ARKFWQZOXZXSFL-ZDUSSCGKSA-N 353.603 3.766 0 1 FHAF Cc1cc(C)n(C[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587767370 YKZPUSHZLMFHGF-XPTSAGLGSA-N 352.251 3.677 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587232070 SKYPWIMDECUMNM-NEPJUHHUSA-N 370.280 3.906 0 1 FHAF COc1ncc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572287 VAXKTHVATDERBY-APWZRJJASA-N 367.332 3.638 0 1 FHAF CCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587763492 JMXMMZLAVOQDGV-JDNHERCYSA-N 352.251 3.737 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](CO)C2)[C@@H]1c1ccc(F)cc1 587352742 MBYXYCDBLMMDPS-NQZBTDCJSA-N 356.393 3.812 0 1 FHAF COC(=O)C[C@]1([C@@H](C)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441060 CMIVQPRZXFPFLU-OIAISFKWSA-N 366.413 3.548 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4cc([C@H](N)N=O)ccc4[nH]3)oc12 586904629 ZYOMRJHDGBQBTN-QGZVFWFLSA-N 350.334 3.521 0 1 FHAF CN(C)c1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)nc1 587194205 ASGHPXUQYZOETP-UHFFFAOYSA-N 357.286 3.740 0 1 FHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](CCc2cnoc2)N1 963183207 OBGUIYZUIAAIMT-NWDGAFQWSA-N 374.746 3.620 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@@](CC(F)(F)F)(C2CC2)N1)C(F)(F)F 962730154 LYDSHFUDYPCNAR-TZMCWYRMSA-N 351.290 3.890 0 1 FHAF O=C1CS[C@H](c2c(F)cccc2F)N1c1cccc(Br)n1 13492448 MGIKECCQMKAOOF-CQSZACIVSA-N 371.206 3.901 0 1 FHAF CN(C)C[C@@H]1CN(c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O1 13833923 WCIFNJXQCFHSLO-GOSISDBHSA-N 360.841 3.806 0 1 FHAF Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](c1ccco1)SC(N)=N2 17222145 BRZOIVJIGIWCRE-CQSZACIVSA-N 372.837 3.909 0 1 FHAF COc1cc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc(OC)c1 203006582 RXTMRKQHQJAYRE-UHFFFAOYSA-N 352.398 3.582 0 1 FHAF CCCN(C)c1nc(O)c(C)c([C@@H](OC)c2c(F)cccc2Cl)n1 1857617081 XCHUPALTVUYYID-HNNXBMFYSA-N 353.825 3.865 0 1 FHAF Cn1cnc2c(oc3nc(-c4cccs4)cc(C(F)(F)F)c32)c1=O 1857637512 AYAFEQKGBPLWBJ-UHFFFAOYSA-N 351.309 3.822 0 1 FHAF CSc1nc(=O)c2nc(-c3cccs3)c(-c3cccs3)nc2n1C 1859975 OVMXPUXYGUDJPL-UHFFFAOYSA-N 372.500 3.902 0 1 FHAF CCN1C(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cscc21 6385241 RZSIHHXGKKLMAN-UHFFFAOYSA-N 356.856 3.552 0 1 FHAF CCOc1c2ccc(C(=O)NCCc3ccc(C)cc3)cc2nn1CC 8762997 SZYZAGGLWKZGQF-UHFFFAOYSA-N 351.450 3.736 0 3 FHAF O[C@@H]1CC[C@H](Cc2cc(-c3ccccc3)on2)O[C@H]1CNC1CCCCC1 2356287889 RMCDARNYWLHGGW-SJBKTWHCSA-N 370.493 3.715 0 1 FHAF NCCN(c1sc2ccccc2c1Cl)S(=O)(=O)c1ccccc1 115233667 ZFTNSWHBJBGJIJ-UHFFFAOYSA-N 366.895 3.709 0 1 FHAF CC(C)C[C@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)O 101773886 AXQMVFCSBAIKQK-INIZCTEOSA-N 358.438 3.868 0 1 FHAF C[C@@H](NC(=O)Cc1cccc(C(=O)O)c1)c1ccccc1N1CCCCC1 27562912 MADUIELAVWVYLW-MRXNPFEDSA-N 366.461 3.795 0 1 FHAF CCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc(C(C)=O)c1O 29476801 MEFWFXABOHRJQY-UHFFFAOYSA-N 358.390 3.833 0 1 FHAF COc1cc2cnc3c(c2c(OC)c1OC)Cc1cc2c(cc1-3)OCO2 28462409 WUERIPVKABAGRC-UHFFFAOYSA-N 351.358 3.561 0 1 FHAF COC(=O)[C@@]12CCC[C@]3(C=N[C@@H]1OC)[C@@H]2CC[C@@H]1[C@@H](C)c2ccoc2C[C@H]13 2356488962 FGFRIRFLGOVJNW-ZPEBCZRMSA-N 371.477 3.968 0 1 FHAF COc1ccc2c(c1CCCC(=O)O)O[C@@H](c1ccc(O)cc1O)CC2 2356509349 MGDHREZDFXVTNH-GOSISDBHSA-N 358.390 3.580 0 1 FHAF C[C@@H]1CCC[C@H](N2CC(=O)N(C3CC3)[C@H](c3ccc(F)cc3)C2=O)[C@@H]1C 34864904 PLBMVQZTGBBZFH-BCSOIMDTSA-N 358.457 3.525 0 1 FHAF N[C@H](COc1cncc(-c2ccc(CO)cc2)c1)Cc1c[nH]c2ccccc12 38411434 HGIMPTZRANHUPB-FQEVSTJZSA-N 373.456 3.671 0 1 FHAF CCOC(=O)CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 34378699 JENYPXCLFXXBPK-UHFFFAOYSA-N 368.808 3.989 0 1 FHAF O=C(Nc1cccnc1)N1CCN(Cc2cc3ccccc3s2)CC1 43123552 GIPXNFSVTCCZSM-UHFFFAOYSA-N 352.463 3.646 0 1 FHAF COc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 139803453 APXUXMPJCLLZBP-UHFFFAOYSA-N 369.428 3.699 0 1 FHAF COC(=O)Nc1cc(C(=O)Nc2ccccc2)cc2ccc(C(=N)N)cc12 87613073 HZWGMEOQRBZVNQ-UHFFFAOYSA-N 362.389 3.554 0 1 FHAF O=C(O)c1cn(CC2(c3ccc4ccccc4c3)CCCC2)cc(O)c1=O 144191114 YVWDVMIZXVSQIM-UHFFFAOYSA-N 363.413 3.917 0 1 FHAF COc1cc(C(=O)c2nc3ccccc3nc2Cl)cc(OC)c1OC 2382217274 VCXQLFNBDPYSMS-UHFFFAOYSA-N 358.781 3.540 0 1 FHAF CN(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587612202 KYFPXMLGKJKFQD-QAPCUYQASA-N 368.414 3.618 0 1 FHAF COC(=O)c1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cn1 587075292 HGLYDZJWOBXNBR-KRWDZBQOSA-N 370.840 3.735 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NC1CCC1 587658988 XOPZSPHZDWQVOG-UHFFFAOYSA-N 371.412 3.617 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(=O)c3ccccc3)cn1C)O2 587389179 FSFDHEMWEHZPLS-FQEVSTJZSA-N 360.413 3.853 0 1 FHAF O=C(N[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3)c1ccccc1 587221677 HDFSPOGCFULRFV-HXUWFJFHSA-N 371.396 3.811 0 1 FHAF Fc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(N2CCCC2)n1 587177586 OQBHVVXFFLPWHR-UHFFFAOYSA-N 354.282 3.921 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(CO)n3)cc1)O2 587394483 WDMKJNODPPUYMW-OAQYLSRUSA-N 360.413 3.838 0 1 FHAF CCOc1cc(/C=C\c2nc3cccc(C(N)=O)c3[nH]2)ccc1OC(F)F 587129008 ALALZHPQHRWNSN-CLFYSBASSA-N 373.359 3.832 0 1 FHAF COc1ccc(/C=C\Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c(OC)c1 587929040 KNGDOQCEPAMUJA-ARJAWSKDSA-N 356.353 3.673 0 1 FHAF CCCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587760712 QCBALNARKPDEIN-QFYYESIMSA-N 352.251 3.818 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)s2)N1 587847281 KBMWVEVHVKPYGG-WJWGPLDTSA-N 370.243 3.972 0 1 FHAF CC[C@]1([C@H]2CCCNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598975 ZHILDYHWSGBLDE-DHUIEDIVSA-N 353.418 3.502 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccccn1)(c1ccccc1OC)[C@@H](C2)C3=O 587437255 YUROSCKJKODKIX-SBUREZEXSA-N 373.408 3.790 0 1 FHAF CC[C@H](C(=O)OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348569 HAVGKNFWFQSUNH-HGHGUNKESA-N 372.392 3.848 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Cl)cn2)N1 587703196 GABNAFJISZHPTQ-ANRSDYALSA-N 370.653 3.829 0 1 FHAF Cc1csc([C@@](O)(Cc2nc3ccc(Cl)cc3[nH]2)C(F)(F)F)n1 587094107 KDWHYNKZLVMDOL-ZDUSSCGKSA-N 361.776 3.974 0 1 FHAF Nc1cccc(C(=O)O)c1-c1nc2cc(Cl)cc(Br)c2[nH]1 587248257 KBXOHPGITDFWFI-UHFFFAOYSA-N 366.602 3.926 0 1 FHAF CS(=O)(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587078952 DNAQHQQKYCEENU-UHFFFAOYSA-N 359.838 3.623 0 1 FHAF COC(=O)c1cc2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2cc1OC 587095654 PCSSYSFKVUKDKW-UHFFFAOYSA-N 365.311 3.626 0 1 FHAF COc1cccc2cc3c(nc12)[C@](C)(c1ccc(N)cc1Cl)NCC3 963043913 ARBKIIWIPRSXBI-FQEVSTJZSA-N 353.853 3.888 0 1 FHAF CCn1c(C)ccc1[C@@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962663869 JSRUSBUJOSCCPO-UGKGYDQZSA-N 363.461 3.553 0 1 FHAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCc1ccccc1 13475368 YEWAPFKTDRVDLG-SFHVURJKSA-N 357.494 3.965 0 1 FHAF CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(C(=O)c1ccco1)CC2 13817565 MFMHDVGEJIJQIY-AWEZNQCLSA-N 354.450 3.677 0 1 FHAF Fc1ccc2nc(-c3cn4nc(Br)sc4n3)sc2c1 205908620 AUDYRXFSQSIWEQ-UHFFFAOYSA-N 355.217 3.969 0 1 FHAF Cc1cnc(CNc2cc(-c3ccccc3)nc(-c3ccncc3)n2)nc1 1503716 XCYJXGREMGRASS-UHFFFAOYSA-N 354.417 3.916 0 1 FHAF Cn1c(=O)c2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1ccccc1 1857583274 TYOMQLZFXFTVRL-UHFFFAOYSA-N 351.450 3.763 0 1 FHAF COc1cc2sn(CCCN(C)Cc3ccccc3)c(=O)c2cc1OC 1857757056 UNQYCNRJXWGPRX-UHFFFAOYSA-N 372.490 3.602 0 1 FHAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3ccnc3)c12 225372782 RIDMLRBIZLZHIF-UHFFFAOYSA-N 360.377 3.577 0 1 FHAF Cc1cccc(-c2ccc(OC[C@@H]3Cn4c(C)cc(=O)nc4O3)cc2)c1C 116406084 QYHUZHNGSCUWNP-IBGZPJMESA-N 362.429 3.676 0 1 FHAF Cc1nc(N)cc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C1CCCC1 103260629 BRZQAAMDZKUIKF-UHFFFAOYSA-N 359.433 3.946 0 1 FHAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCF)[C@@H](c1ccc(Br)cc1)C2 28373285 LEEXJBMYTWENTA-JJXSEGSLSA-N 370.262 3.528 0 1 FHAF O=C(c1ccc(F)cc1Cl)N1CCN(c2ccccc2Cl)C(=O)C1 59278825 NYFAJAOFDXVPOW-UHFFFAOYSA-N 367.207 3.622 0 1 FHAF O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccc(OC(F)(F)F)cc1 29040554 ASBDDVHJXRXKJW-UHFFFAOYSA-N 364.323 3.745 0 1 FHAF CN[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cn2)C1 28125484 DOKSQMPMAHUKLJ-OAQYLSRUSA-N 372.472 3.799 0 1 FHAF CSc1cc2n(c1C(=O)c1ccc(OC(C)C)cc1)CC[C@H]2C(=O)O 28225712 KHYWNDUKJQTVTL-CQSZACIVSA-N 359.447 3.800 0 1 FHAF Cc1cc(C)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)c(CO)c2)c1 29482117 QGRZLCDFHATGDQ-UBZMYNMCSA-N 370.420 3.682 0 1 FHAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(SC)ccc32)c1 40940589 XWTGSORMEKUJDM-SFHVURJKSA-N 369.442 3.794 0 1 FHAF CCC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 95877981 YQBGGQMUOBBMST-SCWSEQNSSA-N 354.425 3.579 0 1 FHAF CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccn3CC)cc1)N2 253791676 TUTFNCHCPZEQJC-HUUJSLGLSA-N 352.478 3.962 0 1 FHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587114610 VICOUIDIPTZHKY-SWLSCSKDSA-N 363.343 3.548 0 1 FHAF CC(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n[nH]1 587596739 RNFSEPZKGFMGRE-YLJYHZDGSA-N 350.374 3.942 0 1 FHAF Brc1cncc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587017737 YLZBJBKMEFTKFW-JTQLQIEISA-N 351.229 3.695 0 1 FHAF O=C(O)c1cccnc1SCc1nc2c(Cl)cnc(Cl)c2[nH]1 586967336 URQPSDSKKDKEIB-UHFFFAOYSA-N 355.206 3.650 0 1 FHAF Nc1ccc(-c2ccc3nc([C@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)cc1N 586904222 RZDAKBVPUZULNR-HRAATJIYSA-N 356.429 3.963 0 1 FHAF O=C1C[C@H]([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CO1 587536759 WGODZRLUKMIZAF-SBUREZEXSA-N 362.425 3.989 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1c(F)cccc1F)O2 587380693 BQGHWMHXLRHGJK-INIZCTEOSA-N 355.344 3.952 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433955 YCUNWICYVJCWCF-CGSMKXTHSA-N 373.449 3.506 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(C)n(NC(C)=O)c2C)N1 962942768 GDUJBARZMIQANT-QRWLVFNGSA-N 350.466 3.690 0 1 FHAF Cc1c(F)ccc2c1[C@H](C(=O)Cc1cccc(Br)c1)NCC2 962150483 ZURXZFBVVHWEOB-SFHVURJKSA-N 362.242 3.895 0 1 FHAF C[C@H](NC(=O)c1ccc(-c2cn[nH]c2)c([C@@H](C)O)c1)c1c(F)cccc1F 1772653065 YVTWDJQRSGSDSG-NWDGAFQWSA-N 371.387 3.899 0 1 FHAF CC(C)(C)OC(=O)Nc1cccc(N2CCc3c(cnc4ccnn34)C2)c1 1772640277 KTYGCGGLBIBYHY-UHFFFAOYSA-N 365.437 3.639 0 1 FHAF C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 12566104 GGJRFAZRJGVNHP-HVHBBZRCSA-N 367.917 3.802 0 1 FHAF CCOC(=O)CNCCCCCOc1ccc(Cc2ccccc2)cc1 13475291 AIFRQNWBMBVYGS-UHFFFAOYSA-N 355.478 3.979 0 1 FHAF COC1(Cc2ccccc2)CCN([C@@H](C)[C@@H](O)c2ccc(O)cc2)CC1 13742671 RJCAYYVHIYFYOZ-LAUBAEHRSA-N 355.478 3.538 0 1 FHAF Cc1ccc2c(c1)c1c3n2CC(C2=C(O)OC(C)(C)OC2=O)=N[C@H]3CCC1 6498838 JCPPVIZRGBOPFH-AWEZNQCLSA-N 366.417 3.861 0 1 FHAF CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)O)[C@@H]1c1ccccc1 1857550937 RSWHTAOHLOXLAB-FQEVSTJZSA-N 363.413 3.702 0 1 FHAF O=C(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1CN1CCCC1 3775806 ZVGFRYLMFAMUON-QGZVFWFLSA-N 354.416 3.725 0 1 FHAF Cc1[nH]c(C(=O)NC2CCC2)c(C)c1Cc1ccc(C(F)(F)F)cn1 1911571131 QBCBPNINIDUXJD-UHFFFAOYSA-N 351.372 3.918 0 1 FHAF Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H](C(C)C)C(=O)N3)cc1C 101842498 TZAWXKUNAWBSAE-SFHVURJKSA-N 358.463 3.796 0 1 FHAF CN(C)C(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN32 100912694 KZGZRFUHUPKRGX-IWDKNMARSA-N 365.304 3.948 0 1 FHAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc3)[C@H](C1)N2Cc1ccc(F)cc1 100086814 UIJJXURBPVAUJJ-AERCQKQUSA-N 367.468 3.596 0 1 FHAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2cn[nH]c2c1 116234474 JRCGWKOBBPLTDZ-UHFFFAOYSA-N 361.405 3.716 0 1 FHAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCCCc1ccncc1 28085619 CSFHONQWSIVEME-UHFFFAOYSA-N 351.454 3.681 0 1 FHAF COC(=O)CCC(=O)Nc1cccc(OCc2cc3ccccc3o2)c1 27324397 VUGGQHHIPKMNBN-UHFFFAOYSA-N 353.374 3.904 0 1 FHAF O=C(Nc1cccnc1)C(=O)c1cc(Cc2ccccc2)n2ccccc12 38494584 JJFUQWPBFIOWNU-UHFFFAOYSA-N 355.397 3.747 0 1 FHAF CCCC1=C[C@]2(OC)C(=CC1=O)O[C@@H](c1ccc(OC)c(OC)c1)[C@H]2C 6396543 SLMFJWTXIZCNBN-OBVPDXSSSA-N 358.434 3.990 0 1 FHAF biogenic COC(=O)c1ccc2c(c1)c1c(n2CCCNc2ncccn2)CCCC1 73166683 FKJKNFGWMAWILI-UHFFFAOYSA-N 364.449 3.599 0 1 FHAF COc1ccc(-c2nnc(-c3c[nH]c4ccccc34)o2)c(OC)c1OC 43063205 KBUHRHQWWZNEAR-UHFFFAOYSA-N 351.362 3.911 0 1 FHAF COc1cccc(CCNc2cc(-c3cc(OC)ccc3OC)ncn2)c1 82161334 WKFGTMDMCRGGBN-UHFFFAOYSA-N 365.433 3.824 0 1 FHAF CCCCC[C@H](CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 40901114 JTPRWNLBJYRUJZ-NWDGAFQWSA-N 353.937 3.647 0 1 FHAF CN1C(=O)CCc2cc(-c3cncc(COc4cccc(F)n4)c3)ccc21 220995419 FVICHURAHFZIPV-UHFFFAOYSA-N 363.392 3.771 0 1 FHAF CCCCCNc1ncnc2c1nc(C1CCCCC1)n2CCNC(C)=O 82186510 YVBXQGVNMWEXGX-UHFFFAOYSA-N 372.517 3.612 0 1 FHAF Nc1nnc(-c2ccc3[nH]cc(-c4cccc(-n5cccn5)n4)c3c2)s1 145414014 MRDMBHMNISKFJZ-UHFFFAOYSA-N 359.418 3.516 0 1 FHAF COc1cc(O)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587806320 HTQNBYFVPIFTOO-HUTHGQBESA-N 366.230 3.926 0 1 FHAF COC(=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2n1 587247207 KRSJQPSSOALOFQ-UHFFFAOYSA-N 372.384 3.664 0 1 FHAF COc1cc(C)ccc1OCc1nc2c(F)cnc(Br)c2[nH]1 587563367 CLLTYEXWDMPWNQ-UHFFFAOYSA-N 366.190 3.756 0 1 FHAF Cc1onc(-c2nc3c(=N)[nH]ccc3[nH]2)c1COc1ccccc1Cl 587062803 ANTQSAFSEIZZFK-UHFFFAOYSA-N 355.785 3.566 0 1 FHAF CCN1CC[C@]2(C[C@H]1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582908 PEDZVGOCTSNRGI-CFCCAZDESA-N 353.418 3.597 0 1 FHAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CC3CC3)[nH]c2c1 587961015 DDNWOVOBQGGNLT-UHFFFAOYSA-N 361.854 3.970 0 1 FHAF Cc1cnn(CCF)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587714040 FJPDSYSGXVUYBX-ZUZCIYMTSA-N 370.241 3.686 0 1 FHAF COc1ccccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659863 GYKICJKZOLWYIO-UHFFFAOYSA-N 374.371 3.900 0 1 FHAF Fc1cccc([C@H]2C[C@@H]2c2nc3nc(Br)c[nH]c-3n2)c1F 587152431 NDNZWGPRDRRNAM-SFYZADRCSA-N 351.154 3.616 0 1 FHAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)n1ccnc12 587515149 LGYAYUDTMYIKEF-QHCPKHFHSA-N 370.408 3.673 0 1 FHAF CC[C@]1(c2cncn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587755305 OPZGXNJFMSHXOV-QFYYESIMSA-N 352.251 3.510 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(C)c(C)c1)O2 587408193 NYLNYGKQTSZWJA-OAQYLSRUSA-N 353.418 3.920 0 1 FHAF CCCCCc1[nH]c2cc(Cl)c(F)cc2c1C(=O)N[C@H]1CCOC1=O 587630790 CYKDEHHGSRXHJN-AWEZNQCLSA-N 366.820 3.738 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1CCO[C@@H]1C2(C)C 587837311 FQMZPLCLQXUEJM-FWQHHWEHSA-N 354.263 3.763 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc(C)on4)c1C)[C@@H](C2)C3=O 587430632 KAFHWSLFVWOVBG-KKSFZXQISA-N 364.401 3.888 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Cl)ccc2OC(=O)[C@H]1C 587378589 CVMGFUNEBBLOIM-DGIBIBHMSA-N 357.793 3.646 0 1 FHAF Cc1n[nH]c(C)c1C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593029 ZYXXRPFVOHSOMC-WIYYLYMNSA-N 364.401 3.695 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCC(=O)O)cc1)O2 587398420 CPUWUVUQWUZRGV-SFHVURJKSA-N 355.390 3.527 0 1 FHAF CC(C)c1nc(CNC(=O)CCc2nnc(-c3ccsc3)o2)cs1 11933270 YIXNRISKZXWLLC-UHFFFAOYSA-N 362.480 3.627 0 3 FHAF CC1(C)CCCN(C(=O)Cc2ccc3c(c2)CCCC3)[C@@H]1CN1CC=CC1 13892588 NAUNWRZEJGXKGK-JOCHJYFZSA-N 366.549 3.997 0 1 FHAF OCC1(CNCc2ccnc(-c3ccc(C(F)(F)F)cc3)n2)CCCC1 204407682 DRQAPAWMJIGDSV-UHFFFAOYSA-N 365.399 3.805 0 1 FHAF COc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc2n1 1857544966 QWKVPQREGQLXFO-AWEZNQCLSA-N 353.397 3.730 0 1 FHAF c1cc2[nH]nc(-c3cnn(C4CCCC4)c3)c2c(NC2CCOCC2)n1 114772974 HOCZVQCOUKBGFH-UHFFFAOYSA-N 352.442 3.527 0 1 FHAF CCc1ccc([C@H]2C[C@@H](c3cc(OC)ccc3OC)N3NC=NC3=N2)cc1 2915266 RZSVCBGACGRXGV-MOPGFXCFSA-N 364.449 3.657 0 1 FHAF COC(=O)CCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)OC 13336111 OMYZAYMSFKGQEX-HDICACEKSA-N 374.518 3.516 0 1 FHAF biogenic Cc1noc(NS(=O)(=O)c2cccc3c(N4CCCC4)cccc23)c1C 13741048 RNGKFYCDICNCCX-UHFFFAOYSA-N 371.462 3.846 0 1 FHAF N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccncc1 14957820 CSIODYUJBFAVFY-NRFANRHFSA-N 356.429 3.641 0 1 FHAF COc1ccc2c(c1OC)[C@@H](O)N(C)c1c-2ccc2cc3c(cc12)OCO3 15043399 RATMHCJTVBHJSU-OAQYLSRUSA-N 365.385 3.693 0 1 FHAF biogenic O=S(=O)(CCCCCCc1ccccc1)c1ncc(-c2cocn2)o1 28348121 IFRMNMHNBHRRKW-UHFFFAOYSA-N 360.435 3.906 0 1 FHAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC[C@H](O)CO)C(C)(C)CCC1 34097830 FXQZICWUGFILLR-IQCCQASZSA-N 373.537 3.987 0 1 FHAF FC(F)(F)Oc1ccccc1C[C@H](c1ccccc1)N1CCNCC1 36093229 GYZLMHZBYPNULH-QGZVFWFLSA-N 350.384 3.774 0 1 FHAF in-vitro COc1ccc2cc(-c3cccc(C(=O)O)c3)cc(CCNC(C)=O)c2c1 40421177 FEMYGWCVZJKDNV-UHFFFAOYSA-N 363.413 3.892 0 1 FHAF in-vitro O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(F)cc2)cc1 95582771 GDXFBKQIBDULBN-UHFFFAOYSA-N 357.406 3.786 0 1 FHAF CCC/N=c1\c(NC(=O)Cc2ccc(OC)cc2)c(O)oc2ccccc12 103537709 BEAHGRNQAXPLSQ-QOCHGBHMSA-N 366.417 3.639 0 1 FHAF O=S(=O)(c1cccc(F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 143327765 ORTASCXACVOQDG-UHFFFAOYSA-N 365.813 3.704 0 1 FHAF Cc1nc(C(C)(C)NC(=O)c2cccc(-c3ccc(F)c(Cl)c3)n2)no1 206688316 ZNPUWMKNYQOMQZ-UHFFFAOYSA-N 374.803 3.898 0 1 FHAF Cc1cc(=O)n2nc(-c3ccccc3)n(Cc3ccccc3Cl)c2n1 299861528 IJNYMXZBRMDFQW-UHFFFAOYSA-N 350.809 3.568 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(/C=C3/OC(=O)c4ccccc43)nc2c1 586907165 TUEDDMJSXVDSOS-RIYZIHGNSA-N 354.749 3.671 0 1 FHAF CC(C)(c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)n1cncn1 586988089 YHCIGPAPYVAKBY-UHFFFAOYSA-N 356.385 3.527 0 1 FHAF Cc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1 586997999 FZVJQFJVVAYLPH-HYXAFXHYSA-N 358.195 3.928 0 1 FHAF COc1nccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587013286 RUUPYXLCPZSJPB-UHFFFAOYSA-N 351.229 3.730 0 1 FHAF Oc1nncc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587068879 AYBYKCFYGDHQJI-UHFFFAOYSA-N 352.781 3.958 0 1 FHAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc3c(cc2[nH]1)OCO3 587121060 PZTFHWFRKIZCBR-UHFFFAOYSA-N 364.205 3.719 0 1 FHAF Nc1ccnc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc12 587121592 DBLCWEDYEKBQAN-UHFFFAOYSA-N 354.357 3.872 0 1 FHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc3c(c2[nH]1)CCCC3 587194281 PIEJAIGBNBOXRP-KRWDZBQOSA-N 372.513 3.959 0 1 FHAF Cc1nc2[nH]c(/C=C/C(=O)Nc3ccccc3)nc2cc1Br 587245524 YVZYMCONCKPVQF-BQYQJAHWSA-N 357.211 3.681 0 1 FHAF N=c1ccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c[nH]1 587253826 REACPTYHSUNNNU-UHFFFAOYSA-N 371.160 3.743 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3cccc(Cl)c3)n1)O2 587375887 AKUQTILRAVKIIR-QGZVFWFLSA-N 354.797 3.518 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(=O)c3ccccc3)cn1C)O2 587389180 FSFDHEMWEHZPLS-HXUWFJFHSA-N 360.413 3.853 0 1 FHAF COc1cc2c3c(c1)O[C@@H](CCCC(=O)Cc1ccc(F)cc1)[C@@H](C2)C3=O 587427132 GYSOUQPKOGIRDY-MOPGFXCFSA-N 368.404 3.932 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)nn(C)c1C)[C@@H](C2)C3=O 587430381 DXYWBPTTZDUYRL-AOMKIAJQSA-N 360.413 3.893 0 1 FHAF CN(C)/C=C/[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574556 XJVISPCHLUXZGF-CHEXVVPLSA-N 351.402 3.578 0 1 FHAF O=Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587608912 NJXWVQUZXOASJL-RXVVDRJESA-N 362.337 3.613 0 1 FHAF O=C(c1ccccc1C(F)(F)F)n1ncc2ccc(Cl)cc2c1=O 587652137 WZWUIJSHXDYOLK-UHFFFAOYSA-N 352.699 3.757 0 1 FHAF C[C@@H](CC(=O)O)[C@@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962960298 SSAMCHXVLXOQHV-YVEFUNNKSA-N 371.399 3.683 0 1 FHAF COc1cc(OC)c([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c(OC)c1 963097398 DZIUXNMAULRKEK-YCRPNKLZSA-N 357.425 3.961 0 1 FHAF CN(C)c1nc2cccc(-c3ccccc3)c2c(=NCc2ccccn2)[nH]1 1857543170 VNUXXZPZCAHSMA-UHFFFAOYSA-N 355.445 3.792 0 1 FHAF C[C@@]12C[C@](C)(c3ccoc3)OC(=O)[C@H]1CC[C@]13COC(=O)C1=CC=C[C@@H]23 2356416763 FNXLHOABSOYWTJ-UCHKUBCOSA-N 354.402 3.514 0 1 FHAF O=C(NC[C@@H]1CCCO1)[C@H]1c2ccccc2C(=O)N1C1CCCCCCC1 2467476 FLJJFLPHXYYLAX-FXAWDEMLSA-N 370.493 3.592 0 3 FHAF CCCNC(=O)[C@@]1(C)CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 61907449 BUVSBKMOWMXZCZ-QHCPKHFHSA-N 364.489 3.583 0 3 FHAF O=C(Nc1ccc(F)cc1)OCc1cn(Cc2ccc(Cl)cc2)nn1 203462565 DHLRIGLVCCIFMY-UHFFFAOYSA-N 360.776 3.868 0 3 FHAF C[C@H]1CCC[C@H](NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@@H]1C 6435592 HJHJWLPOYXGBDT-FCEWJHQRSA-N 357.498 3.871 0 1 FHAF Clc1ccc([C@@H](CN(C2CC2)C2CC2)Cn2cncn2)c(Cl)c1 103174521 SBBADDBFZVLNGJ-GFCCVEGCSA-N 351.281 3.996 0 1 FHAF Clc1ccc(CNC[C@@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 2356299231 CHLDBUKVOGPUJX-GOSISDBHSA-N 353.853 3.892 0 1 FHAF COc1ccc2c(c1)-c1nc(N)nc(-c3ccc(Br)o3)c1C2 28128546 FZARMASNUVLGAE-UHFFFAOYSA-N 358.195 3.661 0 1 FHAF CC=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@@H](O)[C@H](C)C(=O)CC 2356327582 DNIXQXLXMAQDFP-FBGQSJOCSA-N 366.542 3.815 0 1 FHAF O=C(O)C[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26730340 KWJPOKMUQVOHCW-QFIPXVFZSA-N 358.397 3.715 0 1 FHAF Cc1cc2nc(CO[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3F)[nH]c2cc1C 2356521309 RISOSVMGECRIAR-QFBILLFUSA-N 367.424 3.559 0 1 FHAF CO[C@]1(C)CC=C[C@](C)(O)CCC2=C(C)CO[C@H]2C=C(C)CC[C@H]1O 2356790215 FHTQNMOZPCOWNA-JSXRDJHFSA-N 350.499 3.685 0 1 FHAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@H](C)C(=O)N1CCCCC1)C2 4222652 YJEVWDDISZOYOD-DOTOQJQBSA-N 373.493 3.520 0 1 FHAF biogenic CCN(CC)C[C@H](O)COc1ccccc1C(=O)CCc1ccc(F)cc1 73169438 ADBRVNRMJNDWAI-IBGZPJMESA-N 373.468 3.723 0 1 FHAF C[C@H](O)CNCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O 72113550 TUIHEKVHXMMGJQ-LBPRGKRZSA-N 370.836 3.724 0 1 FHAF COc1ccc2c(c1CCC(C)(C)O)O[C@H]1c3ccc(O)cc3OC[C@@H]21 15115227 QSWBCPQDDKJHGF-JXFKEZNVSA-N 356.418 3.714 0 1 FHAF biogenic CC[C@H](Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(OC)c1 40949267 SHNCOOYPYSACBH-UTKZUKDTSA-N 368.477 3.638 0 1 FHAF CCCCOC(=O)COC(=O)c1csc(-c2ccccc2OCC)n1 82075146 KZDLOUCYUVBHAW-UHFFFAOYSA-N 363.435 3.709 0 1 FHAF Cc1cnccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1 96168790 BROIUZOJUNAJND-UHFFFAOYSA-N 369.428 3.663 0 1 FHAF CC(C)(C)n1nc(Oc2cccc(C(F)(F)F)c2)c2c(N)ncnc21 143906999 ALCIEJZDGYBETD-UHFFFAOYSA-N 351.332 3.975 0 1 FHAF COc1ccc(-c2nc3ncc(Cl)c(NC[C@@H]4CCCNC4)c3[nH]2)cc1 653803286 LQESLWZNQGGWHK-GFCCVEGCSA-N 371.872 3.698 0 1 FHAF CCCn1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587763475 JMKOMDVYIOEBSV-MGPLVRAMSA-N 352.251 3.818 0 1 FHAF COc1cccc(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)c1 587931342 HPLLAPXNZYGEDG-UHFFFAOYSA-N 371.396 3.568 0 1 FHAF CCn1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587766354 VOPKUSRPSVYWFF-QFYYESIMSA-N 352.251 3.602 0 1 FHAF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@](O)(c1nccn1C)C(F)(F)F 587629908 NGDYECWTTXEANV-AWEZNQCLSA-N 361.726 3.801 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1-c1ccncc1)CC2=O 587475029 KEWZIKYWQMBYQS-LJQANCHMSA-N 363.417 3.847 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(C)cc(OC(C)=O)cc1C)[C@@H](C2)C3=O 587441342 GEULEVVCIMHSSV-HRAATJIYSA-N 352.386 3.726 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC(O)CC3)o1)CC2=O 587475598 PZIINJQBKHXOKR-IBGZPJMESA-N 371.433 3.605 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)([C@@H](C)O)N1 587851774 JKGSRFPHKYJYAD-IEVXNVSRSA-N 370.287 3.808 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nncc(-c2ccccc2)n1 587871583 KLBOXOYHMYTRQY-UHFFFAOYSA-N 361.380 3.929 0 1 FHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Br)cnc3[nH]2)cc1 587935242 HIHAJBPLVSPHEZ-OTYXRUKQSA-N 362.227 3.566 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ncc[nH]c-2n1)c1cccc(Cl)c1 587071489 NCQOFBQNSOBYIH-ZDUSSCGKSA-N 373.844 3.766 0 1 FHAF COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC(C)C)c1 587439037 IWPYVHBHRGQDRA-IIBYNOLFSA-N 354.402 3.980 0 1 FHAF COc1nc(N(C)C)sc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536109 RGTVCPZWOIGUEB-OAHLLOKOSA-N 358.463 3.803 0 1 FHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 587785054 KCVLKOZBVWCZSE-NWDGAFQWSA-N 372.222 3.664 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O 587429096 SISYIXIHOYYBLJ-HRAATJIYSA-N 364.376 3.817 0 1 FHAF N=c1cc[nH]cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587249416 LVTSQXWSXYTVJK-UHFFFAOYSA-N 373.132 3.699 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccnc1)CC2=O 587466580 AIOVWJMRWRITBF-XMZCSZCVSA-N 352.434 3.676 0 1 FHAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(Cl)c4[nH]3)cc12 587036843 AYDAJZKFYURZAX-SECBINFHSA-N 373.869 3.964 0 1 FHAF CCCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1OCCC 587559256 HESRISFNTMTXFO-UHFFFAOYSA-N 355.394 3.681 0 1 FHAF CCOC(=O)c1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587154097 CVBMZYJRRSLUJW-FQEVSTJZSA-N 367.380 3.670 0 1 FHAF Cc1c(O)ccc2c1[C@](CC1CC1)(c1ccc(Cl)cc1)N[C@H](C(=O)O)C2 963548096 DSLQOTFSJRYCKF-UWJYYQICSA-N 371.864 3.997 0 1 FHAF Cc1ccc(C)c([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1 962645045 UEWWTDKLJUXMLW-RHSMWYFYSA-N 365.351 3.890 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc3[nH]nc(C(=O)O)c23)N1 962941398 DTRXRAGBHKWTSK-ZMZPIMSZSA-N 360.417 3.756 0 1 FHAF Nc1nc(Br)ccc1[C@H]1c2c(F)cccc2C[C@H]2CCCN12 963086742 CEYVFRWEVOUFAR-BZNIZROVSA-N 362.246 3.675 0 1 FHAF Cc1conc1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962956802 NLOKFZKWPGJJTK-INIZCTEOSA-N 352.356 3.743 0 1 FHAF Cc1sc2c(c1C)CCN[C@H]2c1cc2cc3c(cc2nc1O)OCCO3 963029444 RZAKHKUFEWSHGK-SFHVURJKSA-N 368.458 3.625 0 1 FHAF Cc1c(F)ccc2c1[C@@H](C(=O)Cc1cccc(Br)c1)NCC2 962150482 ZURXZFBVVHWEOB-GOSISDBHSA-N 362.242 3.895 0 1 FHAF Cc1cc(CO)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1 13489744 PVNVVSOCNKJUKM-UHFFFAOYSA-N 357.417 3.874 0 1 FHAF O=C(/C=C/c1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 206022939 CHAHIAQJPGDUQX-HVMBIVEYSA-N 370.811 3.754 0 3 FHAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccc(Br)cc1 2356320018 ZVTILUSQLGIBAF-WWGRRREGSA-N 366.303 3.691 0 1 FHAF O=S(=O)(c1ccccc1)n1c([C@@H](O)c2ccccc2)cc2ccccc21 6581875 FNSGKSWTHDNXBI-NRFANRHFSA-N 363.438 3.960 0 1 FHAF C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)OC3CCCC3)(C1)C2 1911574963 QOKNOQPGZYWBLN-JYMLRBTQSA-N 360.429 3.992 0 1 FHAF C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102077916 BBNWIEGTGHCCOP-WOPDTQHZSA-N 358.265 3.929 0 1 FHAF C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@H](CC2CC2)S1(=O)=O 58511568 GIBBMQIFJKTBNZ-SJCJKPOMSA-N 365.886 3.742 0 1 FHAF CC1CCN(CCCNC(=O)c2cc3ccc4cccnc4c3[nH]2)CC1 20575430 DBLJPUOTNYMXSS-UHFFFAOYSA-N 350.466 3.568 0 1 FHAF Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1cccc(CC(=O)O)c1 28371318 XQYSTENIACNVMM-ZPHPHTNESA-N 359.838 3.662 0 1 FHAF CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc2ccccc2n1 61897291 MWHPDDYCSPUEKW-OAQYLSRUSA-N 353.466 3.536 0 3 FHAF O=C(c1ccc2[nH]c(=O)sc2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 117623846 LYWCPSCWTUZDTE-WMZOPIPTSA-N 364.470 3.924 0 1 FHAF Cc1ccc(-c2cn(CC(=O)c3ccc(Br)cc3)nn2)cc1 66251508 VRGLGKSLUGCVDB-UHFFFAOYSA-N 356.223 3.899 0 1 FHAF CCO[P@](=O)(O)[C@H](CCNC(C)=O)c1ccccc1-c1cccnc1 72108824 RIKJENCFZYNPEC-GOSISDBHSA-N 362.366 3.538 0 1 FHAF CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)O[C@@H](C)c1ccccc1 49087767 LGSWSRRTZWCPOD-JTSKRJEESA-N 351.446 3.915 0 1 FHAF COc1ccccc1CNCCCN1C(=O)c2cccc3cccc(c23)C1=O 45245468 DIGMTLOLMRLZLJ-UHFFFAOYSA-N 374.440 3.624 0 1 FHAF CC1(C)[C@H]2CC[C@@]1(C)[C@@](C)(NC(=O)[C@H]1CC(=O)N(C3CCCCC3)C1)C2 195205752 UCFMNAYGTGRZRO-FRMGNDQPSA-N 360.542 3.889 0 1 FHAF Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H]3CCCNC3)c2F)cn1 224571866 BQECLAVRRAHRND-CYBMUJFWSA-N 356.445 3.511 0 1 FHAF CCCc1oc(Br)c(Br)c(=O)c1Br 85637036 QZPMSEQQEQTRRS-UHFFFAOYSA-N 374.854 3.880 0 1 FHAF biogenic CS(=O)(=O)Nc1ccc2[nH]c3cnc(NCc4ccccc4)cc3c2c1 95555492 NEBHHSRYCYSWNI-UHFFFAOYSA-N 366.446 3.700 0 1 FHAF Nc1ccccc1NC(=O)CCCCCONC(=O)Nc1ccccc1 95595193 VCIHVPBMBIWIPX-UHFFFAOYSA-N 356.426 3.521 0 1 FHAF C/C=C1/CC[C@@H]2[C@H]3CC=C4[C@H](O)[C@@H](O)[C@H](C)C[C@]4(C(=O)O)[C@@H]3CC[C@@]12C 621430887 HYXXWAGSSHVTHD-NLBKMMPUSA-N 360.494 3.538 0 1 FHAF COc1ccccc1CN1C[C@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCCO 299835167 KRVURKPXXIQBSA-FQOCKNPQSA-N 372.553 3.533 0 1 FHAF CC(C)Cn1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587580802 JIBBWEQXDBGKRS-GHTZIAJQSA-N 364.401 3.948 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Cl)cc(Cl)cc21 587379027 FUJCIEYVJQUYIM-QGZVFWFLSA-N 363.200 3.697 0 1 FHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(F)cnc(Cl)c4[nH]3)cc2N1 587126604 ZDHZRGUUGNYXMP-XNCJUZBTSA-N 374.729 3.921 0 1 FHAF CCc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2N2CCOCC2)cc1 587638623 GJPSSQMDTXFFAS-UHFFFAOYSA-N 350.418 3.932 0 1 FHAF COC(=O)c1cccc2c1c([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2C 587390277 LTDRFXFHYXFCFR-SFHVURJKSA-N 364.401 3.562 0 1 FHAF N[C@@H](Cc1nc2ccnc(Cl)c2[nH]1)c1ccc(Br)cc1F 587142914 QNIVUCIVOJXKRD-JTQLQIEISA-N 369.625 3.755 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(F)(F)F)nc1)O2 587381169 GYDMDPBBOJBUMZ-AWEZNQCLSA-N 352.312 3.620 0 1 FHAF CCn1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587736930 CKASYAHMRBZFAF-CLAHSXSESA-N 356.214 3.567 0 1 FHAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(C(=N)N)cc2[nH]1 586996440 PRTMZZCMCLZMGB-UHFFFAOYSA-N 373.254 3.924 0 1 FHAF C[C@H](CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)CC(=O)O 587961737 WHHBPRLRXGKLEN-SSDOTTSWSA-N 351.275 3.655 0 1 FHAF C[C@@]1(c2cncnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346885 NWVIUQIWZFPJHT-ICSRJNTNSA-N 350.349 3.596 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(O)cc12 587606709 FKSRDYSXSIWBBW-DENIHFKCSA-N 360.365 3.901 0 1 FHAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Cl)ncc(F)c2[nH]1 587039340 RAJBDCUXRNGANU-UHFFFAOYSA-N 370.797 3.616 0 1 FHAF CCOc1n[nH]c(-c2nc3cc(OC)c(Cl)cc3[nH]2)c1Br 586979874 XMYWDQCUGYUZFD-UHFFFAOYSA-N 371.622 3.776 0 1 FHAF O=C(NCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1cc2c(s1)CCC2 587034751 LAKGERNNRIDXPE-UHFFFAOYSA-N 367.261 3.745 0 1 FHAF C[C@@]1(c2nccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554974 ZAGHLAYLBXPJSG-IFXJQAMLSA-N 368.776 3.713 0 1 FHAF CCOC(=O)C1([C@@]2(C)NCCc3cnc4c(OC)cccc4c32)CCCC1 963045968 HGLSWIIZVURHAF-NRFANRHFSA-N 368.477 3.728 0 1 FHAF COc1cc2c(cc1OC)[C@@H](c1cc(Br)c[nH]1)N(C)[C@H](C)C2 962642267 ZAAKTFMXRMOGPY-QGHHPUGFSA-N 365.271 3.760 0 1 FHAF CCCCCN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1 13491753 IALOGXKCZVTGFW-UHFFFAOYSA-N 362.905 3.848 0 1 FHAF c1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 15779250 GHZWZWYCGLZGNS-UHFFFAOYSA-N 374.444 3.550 0 1 FHAF C[C@@H](Cc1ccc(Cl)cc1)n1c(O)cc(=O)n([C@@H]2C[C@@H]3CC[C@@H]2C3)c1=O 169729788 NJGIWGDFJBKGJA-DPAVQSFQSA-N 374.868 3.534 0 1 FHAF Cc1cc(-n2ccc3ccc(=N[C@@H](C)c4ccc(F)cc4F)[nH]c32)n[nH]1 1857549256 ZOJAFLMQBSPHIW-LBPRGKRZSA-N 353.376 3.930 0 1 FHAF COc1cc2cc3c(c(O)c2c2c1C=CC(C)(C)O2)C(=O)C[C@@](C)(O)C3 14883295 RUKXXSDGTORZFO-NRFANRHFSA-N 354.402 3.618 0 1 FHAF biogenic CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3)c2ccc(O)cc2)cc1 26187792 AJSSYKQNNVWKLL-BGYRXZFFSA-N 362.473 3.858 0 1 FHAF CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cccnc2)cc1 27086459 UQGFUMGWOQFNJL-UHFFFAOYSA-N 367.352 3.561 0 1 FHAF COc1cc([C@H]2CO[C@H](c3ccc(N(C)C)cc3)O2)cc(OC)c1OC 27518869 YBYBQZPEKBJDJJ-QUCCMNQESA-N 359.422 3.565 0 1 FHAF COc1ccc(CCN2C(=O)CS[C@]23CCc2c(C)cccc23)cc1 38149929 ZXTCAMVMJWPYAJ-NRFANRHFSA-N 353.487 3.921 0 1 FHAF O=C(O)c1ccc(-c2ccc3ncnc(NCc4nccs4)c3c2)o1 66129454 XIURHKCVGCFGJQ-UHFFFAOYSA-N 352.375 3.657 0 1 FHAF CN(C[C@H]1CCCO1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 66148029 WXVRKSILYXOHSJ-MRXNPFEDSA-N 363.417 3.641 0 1 FHAF CC[C@@H](C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 95574186 CQKLJJCVXBOQJX-AYNDRXOASA-N 362.466 3.817 0 1 FHAF COc1cc2c(cc1C)[C@]1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21 103177619 WNMCSYFRPIGZTI-HSZRJFAPSA-N 372.424 3.624 0 1 FHAF Cc1ccn(-c2cccc(-c3c[nH]c4ccc(-c5nnc(N)s5)cc34)n2)n1 145417298 YUKFVIAVKMQRBS-UHFFFAOYSA-N 373.445 3.825 0 1 FHAF CNC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169313779 RZFLKYKMLWACOU-HRRHRQTFSA-N 351.277 3.606 0 1 FHAF O=S1(=O)NC(O)=CN1c1c(Cl)sc(-c2ccccc2)c1Cl 169719922 FMRDLOCNTIZNOA-UHFFFAOYSA-N 363.247 3.733 0 1 FHAF C[C@H](C(N)=O)N1CCCC[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 206819377 DCHBITHJABIYOA-FOIQADDNSA-N 356.441 3.806 0 1 FHAF CC1CCC(C(=O)N[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C(C)C)CC1 251869022 QKQYGRICRFJSOM-UJZOANHMSA-N 350.547 3.894 0 1 FHAF O=C1CSC[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)N1 587044321 ZVCYAJOEBXLWKR-CQSZACIVSA-N 366.471 3.744 0 1 FHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587080806 SRLLYXQOKHOCND-LLVKDONJSA-N 366.812 3.522 0 1 FHAF COc1cccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 587145523 ZZVGYASAPRBWAX-GFCCVEGCSA-N 364.218 3.716 0 1 FHAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cnncc4[nH]3)c(F)c2)c1 587147028 GCSRNMJFVMYHKY-UHFFFAOYSA-N 364.336 3.533 0 1 FHAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587171317 MAYXJUOZVDLPAL-JTQLQIEISA-N 357.410 3.929 0 1 FHAF Cc1cnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]1 587345049 IHKCMPJKHDUVIY-YLJYHZDGSA-N 352.365 3.837 0 1 FHAF COc1cccc([C@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587394831 KISPWPPEWIGJIW-QFIPXVFZSA-N 360.413 3.890 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCc4nn(-c5ccccc5)cc41)[C@@H](C2)C3=O 587434530 ACTNARIKSZFAEX-SBUREZEXSA-N 372.424 3.860 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccc4nc(O)oc4c1)(C(C)C)[C@@H](C2)C3=O 587434950 AMNXHVBIXXMTPR-LHSJRXKWSA-N 365.385 3.841 0 1 FHAF COCCCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441431 KIPXHQVZNFXELS-UTKZUKDTSA-N 354.402 3.599 0 1 FHAF COc1cc(O)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587805678 FTKXCDSKHJXBEX-XYZCENFISA-N 366.230 3.926 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2CC(=O)O)N1 587825186 BOARNJDSXAJKOG-RDGWCUKFSA-N 356.235 3.593 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)no1 587866189 XHBZBKMPJNNZFT-UHFFFAOYSA-N 365.311 3.953 0 1 FHAF CCOC(=O)c1ccc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2c1 587938011 RVGDYEZYQRFGNA-XIKOKIGWSA-N 354.406 3.585 0 1 FHAF CCCn1ccc([C@H]2NCC3(CCOCC3)c3ccc(OC)c(OC)c32)c1 963183380 BLCTUDQIIKQTKW-HXUWFJFHSA-N 370.493 3.656 0 1 FHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2F)c1 1772599817 MQHAUPTVCAFIJM-GFCCVEGCSA-N 369.396 3.724 0 1 FHAF CCCN(CCC)CC(=O)NCCNc1ccnc2cc(Cl)ccc12 1772603131 HZSXUVUEEUXTMF-UHFFFAOYSA-N 362.905 3.538 0 1 FHAF CCOc1ccc2c(C)cc(=O)oc2c1COC(=O)c1cccc(OC)c1 1857573887 HMTMISXHCFFETO-UHFFFAOYSA-N 368.385 3.866 0 1 FHAF Cc1nnn2c1-c1ccccc1N(c1ccc(Cl)cc1)C[C@H]2CCO 1857748935 PBZMPCXVZAPRES-MRXNPFEDSA-N 354.841 3.982 0 1 FHAF C[C@@H]1CCC(=O)N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857754499 FAXGIXNMCAWHNM-CJNGLKHVSA-N 372.415 3.692 0 1 FHAF FC(F)(F)c1ccc2c(c1)CC1(CCN(CC3CCOCC3)CC1)N2 1911576003 ZPBJMLHOEMMTJP-UHFFFAOYSA-N 354.416 3.935 0 1 FHAF Cc1ccc(-c2ccc(=O)n(CC(=O)N(C)[C@@H](C)c3ccco3)c2)cc1 199402999 RRMZXWVAAZJKAV-INIZCTEOSA-N 350.418 3.636 0 3 FHAF O=C(CSc1ccc2nnc(-c3cccs3)n2n1)Nc1ccccc1 4326573 JXTZYJLTZFLDNE-UHFFFAOYSA-N 367.459 3.584 0 1 FHAF CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCCC[C@@H]23)cc1 6769464 MHPBXPOESZCFMH-PMACEKPBSA-N 364.445 3.816 0 1 FHAF CC1(C)CCC[C@@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O 101678258 MTWKHJUQYFVCHB-HNNXBMFYSA-N 362.857 3.642 0 1 FHAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1ccsc1 1911585311 ARWXKCIBVKCPEZ-AWEZNQCLSA-N 369.273 3.867 0 1 FHAF CC(=O)c1cc(C)c(Cl)cc1NCC(=O)Nc1ccccc1C(=O)O 28644478 XSVNIJNPEBNXFH-UHFFFAOYSA-N 360.797 3.600 0 1 FHAF CCCOc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 116828948 LXLZQHXIYRTXLA-GOSISDBHSA-N 354.385 3.762 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCOc2ncccc21 205614802 VXKSAGLRTGWRKM-LBPRGKRZSA-N 351.233 3.879 0 1 FHAF CC(C)[C@@]12C=C[C@](C)(O)CC(=O)C[C@H](C)CC[C@H](OC=O)[C@@](C)(CC1)O2 2356474272 KXWFDYNNCDYRQV-OBJCFNGXSA-N 366.498 3.578 0 1 FHAF O=C(c1cc(Cl)cc(Cl)c1)N1Cc2ccccc2-n2nncc2C1 61924170 MOPSZKDOAKCORZ-UHFFFAOYSA-N 359.216 3.730 0 3 FHAF Cc1nc2c(OC(F)F)cccc2n1-c1ccc(C(=O)NC2CC2)s1 68247512 VQQZSOVXMSWVFT-UHFFFAOYSA-N 363.389 3.889 0 1 FHAF COc1cc(O)c(C=CC(C)(C)O)c2c1C(=O)C[C@H](c1ccccc1)O2 2356583586 YSYPNKZOQYHUSV-QGZVFWFLSA-N 354.402 3.891 0 1 FHAF O[C@H](CNCc1cccc(F)c1)Cn1c2c(c3ccccc31)CCCC2 73196561 CXFQFIJWCHXSNR-GOSISDBHSA-N 352.453 3.810 0 1 FHAF C[C@@H]1C(=O)C[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C 34347847 XVYFFIJITDUPCR-YGTPODQOSA-N 353.506 3.922 0 1 FHAF O=C1NCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 40939861 MEVYMDOLNBEXMQ-UHFFFAOYSA-N 374.227 3.968 0 1 FHAF Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1 49925432 FPQNWBCHCMEAKI-UHFFFAOYSA-N 373.456 3.658 0 1 FHAF CCOc1cc(CCNc2nc(N3CCC[C@@H]3C)ncc2C)ccc1OC 82202736 PZNJPJNJWVJEPO-INIZCTEOSA-N 370.497 3.836 0 1 FHAF O=C(CCc1cccs1)N1CCc2[nH]nc(COc3ccccc3)c2C1 48276227 MHBAQPHAVDMRCH-UHFFFAOYSA-N 367.474 3.568 0 1 FHAF O=C(N[C@H]1CCc2cc(Cl)cc(Cl)c21)[C@H]1COc2ncsc21 220865954 VTSGEBIIIVYRPF-ONGXEEELSA-N 355.246 3.730 0 1 FHAF CO[C@]1(C)CC/C=C(/C)CCC2=C(C)C(=O)O/C2=C/[C@](C)(O)CC[C@H]1O 238784441 KEFOKZIMLWOHOY-QRVSVDFYSA-N 364.482 3.561 0 1 FHAF CCC[C@H](NC(=O)OCC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 95588827 RLIQCFVIBUBVIC-MFKMUULPSA-N 367.446 3.527 0 1 FHAF O=C(CCSc1ccccn1)Nc1cc(Cl)ccc1C1=NCCO1 96283154 DMXYISUBAZCDOH-UHFFFAOYSA-N 361.854 3.633 0 1 FHAF CC(C)(C(=O)O)[C@@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@]1(C)CC(=O)O)[C@]1(C)O[C@@H]13 257521092 QGTMYAPGXJWNQR-VRHUIZLCSA-N 350.455 3.562 0 1 FHAF endogenous,in-man O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CCc2ccccc2C1 473108702 OAPWDGIUTZLXGE-BHDDXSALSA-N 355.453 3.683 0 1 FHAF O=C(/C=C/c1ccccc1)NCCN=c1c2c([nH]c3ccccc13)CCCC2 653707679 DJHIZIOQTHXIOT-CCEZHUSRSA-N 371.484 3.777 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccccn1)([C@@H]1CCCO1)CC2=O 587491999 VQOSZIGDVWAFRH-PZJWPPBQSA-N 353.418 3.779 0 1 FHAF CCc1nccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774930 OJPPZVFJVIFOEJ-FVMDXXJSSA-N 350.235 3.564 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(F)(F)F)N1 587707065 SJSHNYWKBGLISJ-FUXBKTLASA-N 368.168 3.859 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Cl)n1 587551957 LRYNJPFXOGHJIM-WMLDXEAASA-N 354.749 3.539 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CN)(c1ccc(OCC)cc1)CC2=O 587473201 RAJXJZFFNSHEEM-NRFANRHFSA-N 355.434 3.563 0 1 FHAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587588224 PSLWZAKFIMOVPX-NQIIRXRSSA-N 363.369 3.889 0 1 FHAF O=C1c2ccc(O)cc2OC2(C[C@H]3C=C[C@@H](C2)O3)[C@H]1c1ccc(F)cc1 587360735 WETCAZJLIWYMJH-GBQVXSQNSA-N 352.361 3.746 0 1 FHAF COc1ncc(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587766269 FXSPNMBMSVJFKM-QFYYESIMSA-N 365.246 3.924 0 1 FHAF Cc1nn(Cc2nc3cc(F)c(F)c(F)c3[nH]2)c(C)c1Br 586978759 GGYOTUPHANZMGB-UHFFFAOYSA-N 359.149 3.604 0 1 FHAF COC(=O)C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350406 KGTVAUMRQJYTJS-TZIWHRDSSA-N 370.376 3.602 0 1 FHAF N=C(N)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587163857 VIPUREKGMVOCRQ-UHFFFAOYSA-N 358.376 3.884 0 1 FHAF N=c1cc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c[nH]1 587138734 SLQCQAMUAPEVTE-UHFFFAOYSA-N 366.327 3.681 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cn2)N1 587736605 WMGNHJWSWAUZJD-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF CC(C)n1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587760396 PKDNMMBWOUBDDD-QFYYESIMSA-N 352.251 3.989 0 1 FHAF O=C1CCC[C@H](c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC1 586885114 XKQKQTSKXPGPNV-QMMMGPOBSA-N 351.200 3.640 0 1 FHAF N[C@@H](N=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995695 MXYXPYIMGRNSBI-INIZCTEOSA-N 374.242 3.704 0 1 FHAF O=S(=O)(Nc1ccccc1-c1nc2cccnc2[nH]1)c1ccc(F)cc1 587169866 CTABPTPBVLUERH-UHFFFAOYSA-N 368.393 3.565 0 1 FHAF C=Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587767336 YEADJSAOVGBWAX-JDNHERCYSA-N 350.235 3.817 0 1 FHAF O=C(Cc1nc2ccc(F)c(Br)c2[nH]1)OCc1ccccc1 587782118 PUZYIULQODNERT-UHFFFAOYSA-N 363.186 3.750 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ncnc1N1CCCCC1)O2 587380529 VURHAMTVEPPNTE-OAHLLOKOSA-N 372.856 3.717 0 1 FHAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@]42C[C@@H]3CCO[C@@H]32)cc1 963819955 ZKGPZSBCZBAOFP-IRBZQWRBSA-N 360.457 3.897 0 1 FHAF Cc1c(F)ccc2c1[C@@](CC1OCCO1)(c1cc(F)cc(F)c1)NCC2 962144455 LCYQDUGJMZXOQU-HXUWFJFHSA-N 363.379 3.565 0 1 FHAF CC(C)Oc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)ncc12 1772653714 QQGXQSCBNQVQLV-LLVKDONJSA-N 357.389 3.767 0 1 FHAF CCC(=O)Nc1cc2c(Nc3ccc4n[nH]cc4c3)ncnc2cc1OC 1772645543 OSZVTHKMNPNPPE-UHFFFAOYSA-N 362.393 3.607 0 1 FHAF O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1cccs1 13674429 GVMGFZJINUTVNQ-ICSRJNTNSA-N 368.502 3.926 0 1 FHAF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc([C@@H](C)O)cc2)cc1 13685953 KXKYKXBERNRULI-CYBMUJFWSA-N 363.465 3.536 0 1 FHAF COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@@H]1c1ccccc1F 169296308 OCWSSWUBNZJSRH-YJBOKZPZSA-N 360.816 3.998 0 3 FHAF COCCSc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 209327717 BZXZDBANQARFPZ-GFCCVEGCSA-N 371.466 3.579 0 1 FHAF COc1ccccc1OC[C@@H](O)CNCC1(c2cccs2)CCCC1 1857640756 ZHOLOYZGEKDPCR-INIZCTEOSA-N 361.507 3.598 0 1 FHAF COc1ccc(OC)c(Nc2cc(NCCc3cccs3)ncn2)c1 1857764051 KZHGNEQISTYYRV-UHFFFAOYSA-N 356.451 3.954 0 1 FHAF Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1c(F)cccc1OCC1CC1 225945459 ZBFLZYQTWARVNO-UHFFFAOYSA-N 367.380 3.775 0 1 FHAF COC(=O)/C=C/c1ccc2c(c1)C[C@@]1(C2)Cc2cc3c(cc2C1=O)CCC3 1654808 WHOVBTFIWPTXGD-YFTVHVBSSA-N 358.437 3.886 0 1 FHAF O=c1nc(-c2ccc(F)cc2)c2c([nH]1)/C(=C/c1ccc(F)cc1)COC2 5974063 QVGUSMUTTOGADR-NTEUORMPSA-N 352.340 3.786 0 1 FHAF CN(C)CCN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@@H]12 12671612 TZYDTPVLMWSHME-CZZSXQRJSA-N 374.569 3.658 0 1 FHAF COc1cc2c(cc1OC)CN([C@@H]1CCCN(Cc3ccccc3)C1)CC2 22453742 KWLGTWNZMNKIRK-OAQYLSRUSA-N 366.505 3.727 0 1 FHAF COc1ccc2c(c1)cc(C)n2C(=O)c1cc(OC)c(OC)c(OC)c1 28457663 HVDSRKLOLQBRON-UHFFFAOYSA-N 355.390 3.673 0 1 FHAF COc1ccc(Cl)cc1[C@]1(O)C(=O)Nc2ccc(C(F)(F)F)cc21 29315030 MRNDORVENRYOCP-HNNXBMFYSA-N 357.715 3.555 0 1 FHAF c1cc(OC[C@H]2CN(C3CCCC3)CCO2)ccc1CN1CCCCC1 40429072 XXHIGGQEZHTJEU-JOCHJYFZSA-N 358.526 3.695 0 1 FHAF c1ccc(CN2CCN(CCCOc3cccc4cccnc34)CC2)cc1 43075065 PKSMOCBMTRBBOC-UHFFFAOYSA-N 361.489 3.822 0 1 FHAF COc1ccc(NC(=O)N[C@H]2CCN(c3ccnc4ccccc34)C2)cc1 45188843 HLRRCXVWFXIKTC-INIZCTEOSA-N 362.433 3.644 0 1 FHAF C[C@@H]1C(=O)N(Cc2ccc3ccccc3c2)[C@]1(Cc1ccccc1)C(=O)O 72116951 SIBQTSITSDLVTE-MWTRTKDXSA-N 359.425 3.884 0 1 FHAF COc1ccc(-c2nc(CNCc3ccc(OC)cc3OC)co2)cc1 72185362 HBRQYEWXKYAQSC-UHFFFAOYSA-N 354.406 3.657 0 1 FHAF CO[C@H](COC(=O)C1=C(c2ccccc2)CCN(C)C1)c1ccccc1 95593838 AEJZEJNDBGAPHB-OAQYLSRUSA-N 351.446 3.707 0 1 FHAF CCCSc1nc2cc(-n3nc(C)n(C(F)F)c3=O)c(F)cc2s1 103196976 FVYIJFNOALHYID-UHFFFAOYSA-N 374.413 3.988 0 1 FHAF O=C(CNc1ccccc1)Nc1nc2ccc3n[nH]c(Cl)c3c2s1 202049012 MVIXZCMJTBABAI-UHFFFAOYSA-N 357.826 3.877 0 1 FHAF O[C@@H]1CCCC[C@@H]1NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204413504 LJSBOVZBNUPIKE-JKSUJKDBSA-N 351.372 3.556 0 1 FHAF Cc1ccc(-c2cc(NC(=O)c3cncc(Br)c3)n[nH]2)cc1 299818977 AVFCNGGTMASSBD-UHFFFAOYSA-N 357.211 3.795 0 1 FHAF COC[C@@]1(O)C[C@@]23CC[C@@H]4[C@H](C(=O)OC)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 523041761 PZXPTSNNDBIDFH-YNGKSLCGSA-N 350.499 3.560 0 1 FHAF biogenic O=C(Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F)c1nsnc1O 584905754 UCKLLJALHASQDA-UHFFFAOYSA-N 369.299 3.719 0 1 FHAF in-vitro COc1cccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12 587014012 GWPCUTAPFYWNEP-UHFFFAOYSA-N 360.439 3.720 0 1 FHAF O=S(=O)(O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587098662 WSBQYBLGFUXPLR-UHFFFAOYSA-N 360.288 3.635 0 1 FHAF Fc1cc(CCc2nc3ccnc(Br)c3[nH]2)cc(F)c1F 587139280 FQFMMYCGTFMLID-UHFFFAOYSA-N 356.145 3.923 0 1 FHAF O=C(O)c1cc(Br)cc2nc(-c3ccc(Cl)nc3F)[nH]c12 587177539 MDFFNXIXTULPTR-UHFFFAOYSA-N 370.565 3.878 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CCC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 587351987 LLYSJOJREONJNS-XMLVGPMBSA-N 370.376 3.904 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)cc1Cl)O2 587377437 IHVULFLNFJLBDZ-LJQANCHMSA-N 372.852 3.774 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(C(=O)O)cc1)O2 587388961 CONCERGCAFUQBS-IBGZPJMESA-N 362.385 3.773 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cnn(Cc4ccccc4)c1)[C@@H](C2)C3=O 587431692 LQPFKVLFPZDORO-PGRDOPGGSA-N 360.413 3.603 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccncc12 587586029 ASHOXZZLMUMBTG-GHTZIAJQSA-N 358.353 3.971 0 1 FHAF CCSC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614671 UIORYTARVSUDBI-LPHOPBHVSA-N 358.415 3.782 0 1 FHAF CCCn1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587760011 NQKMWHKNCYMATF-HWPZZCPQSA-N 352.251 3.818 0 1 FHAF CC(C)N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587765461 CIHWBUACEVPMNK-GFCCVEGCSA-N 355.295 3.822 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3ccccc3n2)N1 587774068 LDULNIFDPSUBEV-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C(=O)O)N1 587825108 FQVLSNOQKQATFZ-XXFAHNHDSA-N 364.214 3.910 0 1 FHAF COc1ccc(-c2cnc3c(NC(=O)C4CC4)snc3c2)cc1OC 653762720 AKJJLQHGGYYLNW-UHFFFAOYSA-N 355.419 3.724 0 1 FHAF CC1(C)CCc2cc(C[C@@H]3OC(=O)C(O)=C3c3ccc(O)cc3)ccc2O1 1772570416 HPPVVFOROQZDCU-SFHVURJKSA-N 366.413 3.933 0 1 FHAF Cn1cc(C(=O)c2ccc3c(c2)OCO3)c2cccc(Br)c21 1911578118 SCPJNWGRDWQPRD-UHFFFAOYSA-N 358.191 3.901 0 1 FHAF CC[C@H](C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1C2 2356403230 CQKLJJCVXBOQJX-SQCIXAQLSA-N 362.466 3.817 0 1 FHAF C[C@H]1C[C@@H](C)[C@H]2[C@@H](C)C(=O)[C@H]3C[C@H](C)C[C@H](C)[C@H]3[C@@H]2C(=O)O[C@H]1[C@@H](C)O 2356436588 RKGOMGDMTKLFLM-KUOSBJMDSA-N 364.526 3.705 0 1 FHAF Cc1ccc2c(c1)N(CC(=O)N1CCCCCC1)C(=O)c1cccnc1O2 6878086 KPWHPWGTSIGKBN-UHFFFAOYSA-N 365.433 3.545 0 3 FHAF Cc1ccc(-c2ccc(=O)n(CC(=O)N(C)[C@H](C)c3ccco3)c2)cc1 199403012 RRMZXWVAAZJKAV-MRXNPFEDSA-N 350.418 3.636 0 3 FHAF O=C(NCc1ccc(F)c(F)c1)[C@H]1CCCN(c2nc3ccccc3o2)C1 201461190 YQBSIIGYYLXUGF-AWEZNQCLSA-N 371.387 3.639 0 3 FHAF CCOC(=O)CSc1nc(COc2ccccc2)nc2ccccc12 1356132 XTFGHZTYASUYTO-UHFFFAOYSA-N 354.431 3.864 0 3 FHAF O=C(c1cc2cc3ccc(Cl)cc3nc2o1)N1CCC2(CC1)OCCO2 4101459 JSNMMRRCFDIXLE-UHFFFAOYSA-N 372.808 3.614 0 3 FHAF O=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 4872871 CYCBIJJVHKJPSK-UHFFFAOYSA-N 365.220 3.665 0 1 FHAF COc1ccc(CN2CCOC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 2356300515 XEQWLQIBGYMCBB-HXUWFJFHSA-N 367.424 3.798 0 1 FHAF COc1cc([C@H](O)c2nc(-c3cccc(NC(C)=O)c3)cs2)ccc1F 61895602 MQWZRUPTCSYFLX-SFHVURJKSA-N 372.421 3.998 0 3 FHAF COc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)CN2C(C)=O)c1 61943078 JIQSIBYXMBWCBV-JBACZVJFSA-N 366.461 3.517 0 3 FHAF COc1ccc(C2=NN(C3CCCC3)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26567811 PMDTUKRFGFOQKR-IRXDYDNUSA-N 356.466 3.999 0 1 FHAF C[C@H](C1=CC[C@@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C 2356613244 FCLIIFLKCAQTGH-GNMBEIBUSA-N 361.570 3.847 0 1 FHAF O=c1ccc2ccc(OCc3cn(-c4cccc(Cl)c4)nn3)cc2o1 473114110 MCWLIUONRNBVEQ-UHFFFAOYSA-N 353.765 3.606 0 1 FHAF CC(=O)c1cc(-c2ccc(Cl)cn2)c2cc(N3CCOCC3)ccn12 653804965 DLUDIDHBXQTGDK-UHFFFAOYSA-N 355.825 3.694 0 1 FHAF O=C(Nc1ccccc1O)[C@@H]1CCc2ccccc2N1C(=O)c1ccccc1 653831276 BDARIUZRLFZZGM-FQEVSTJZSA-N 372.424 3.993 0 1 FHAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1CCF 587557759 SSZLJARTSCVPGR-XLIONFOSSA-N 368.364 3.570 0 1 FHAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(O)ncnc2[nH]1 587034226 DUTRSHJKYFZKLT-NSHDSACASA-N 367.434 3.544 0 1 FHAF COc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587772432 NVJURPZQWRXLBX-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF COc1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2n1 587191328 TVECSZOXAKBNDB-INIZCTEOSA-N 368.437 3.923 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(Cl)cc3)nn1)O2 587380312 SLYXEDURJQCWOH-KRWDZBQOSA-N 354.797 3.518 0 1 FHAF Cc1sc(=N)[nH]c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994633 ZWWJCMWEKROQCS-UHFFFAOYSA-N 359.410 3.996 0 1 FHAF CC(=O)c1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587111602 MZNNJFGVQANGMM-UHFFFAOYSA-N 361.323 3.714 0 1 FHAF C[C@@]1(CC2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613927 ZNSFBKFMIZDVNL-NQIIRXRSSA-N 354.402 3.929 0 1 FHAF Cc1nsc(N)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617854 LFVPQEXZPKIUDK-HNAYVOBHSA-N 368.414 3.616 0 1 FHAF O=C1C[C@]2(CCOc3cc4c(cc32)OCO4)Oc2c1ccc1c2CCCC1 587535570 LIDLZWGVSDTIGZ-QFIPXVFZSA-N 364.397 3.937 0 1 FHAF C[C@H]1CN(C)[C@H](C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342479 DYHHJLDAQXTLRW-VQXITPLLSA-N 369.436 3.989 0 1 FHAF Nc1ncc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550734 BQQXCDMNJWDXPA-CRAIPNDOSA-N 368.776 3.726 0 1 FHAF CC1=C(c2ccc3nc([C@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)NNC(=O)C1 587162587 JPJRNBBFWVKQIR-HOTGVXAUSA-N 362.408 3.729 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccnc4)c1C)[C@@H](C2)C3=O 587432266 VMFWXDVSHOLCLM-PGRDOPGGSA-N 360.413 3.986 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)OC(F)(F)O4)[C@@H](C2)C3=O 587421943 BDUKQLGUIXUFNP-SGTLLEGYSA-N 360.312 3.680 0 1 FHAF Cc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1C 587193622 NNOCMSYUCOGGIM-UHFFFAOYSA-N 351.450 3.699 0 1 FHAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cccn1 587392624 UHTCGZNWZXFQOK-HXUWFJFHSA-N 363.417 3.537 0 1 FHAF CCOC(=O)Cc1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587138838 SJZUXAANWBSUGU-UHFFFAOYSA-N 362.351 3.871 0 1 FHAF Cc1ccccc1[C@@]1(C[C@H]2CC[C@@H](C(=O)O)C2)NCCc2ccc(O)cc21 963340024 DYTWSIBWKOOFGG-PRCFCKQXSA-N 365.473 3.981 0 1 FHAF CCOC(=O)C[C@]1(c2ccc(Cl)cc2F)NCCc2c(C)ccnc21 963069526 NEBQSMNZJHLSGI-LJQANCHMSA-N 362.832 3.525 0 1 FHAF Cn1c(Cl)c([C@H]2NCCc3c(C(=O)O)cccc32)c2cc(C=O)ccc21 963151203 SGBVZAAEWCPBDP-SFHVURJKSA-N 368.820 3.578 0 1 FHAF Nc1oc2cnccc2c1Nc1cccc(I)c1 222945138 NROUPUHKAZVXCB-UHFFFAOYSA-N 351.147 3.758 0 1 FHAF Nc1cc(-c2ccccc2)nn1S(=O)(=O)c1cc(Cl)sc1Cl 5034484 FUUAWAURLSRYFG-UHFFFAOYSA-N 374.274 3.738 0 1 FHAF CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](Nc3cccc(F)c3)C2)c1C 12712390 HEZQIMSADVTDEY-KRWDZBQOSA-N 357.429 3.690 0 3 FHAF C[C@@H](c1ccc(-c2ccc(F)c(F)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948237 SBSZWACYSUILGE-UVIMBBFXSA-N 362.395 3.633 0 1 FHAF CCCCCc1ccc(-c2cn(CN3C(=O)c4ccccc4C3=O)nn2)cc1 15937303 HPBSNSIPLAMQJU-UHFFFAOYSA-N 374.444 3.932 0 3 FHAF Cc1cc(C)cc(-n2cc(COc3ccc4c(C)cc(=O)oc4c3)nn2)c1 1857751948 ZCAXCFJLVNKQLR-UHFFFAOYSA-N 361.401 3.878 0 1 FHAF CCCN(C/C=C/I)[C@@H]1CCc2c(O)cccc2C1 13739883 LYFXQSOWXVVQIV-CEOUIICOSA-N 371.262 3.910 0 1 FHAF CSc1ccc(-c2csc(CC(=S)N3CCOCC3)n2)cc1 16940364 ZLGFAPQDNNTZND-UHFFFAOYSA-N 350.534 3.734 0 1 FHAF O=C(Cc1ccccc1)c1cc2c(c(Cl)c1Cl)O[C@H](C(=O)O)C2 27996506 WNSXXYONJLYXMN-ZDUSSCGKSA-N 351.185 3.807 0 1 FHAF COc1ccc(CNc2ccc(/C=C/C(=O)Nc3ccccc3N)cn2)cc1 36338692 INVPCFWYDPIISD-UKTHLTGXSA-N 374.444 3.936 0 1 FHAF CCCCNC1=C(c2c(C)[nH]c3ccccc23)C(=O)N(CCCC)C1=O 59086572 XKGUTWTVBMAZLN-UHFFFAOYSA-N 353.466 3.746 0 1 FHAF C[C@]1([C@@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(F)cc2)C1=O 72178079 MATLSIAJUHWSQN-WMLDXEAASA-N 365.813 3.620 0 1 FHAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2)C1 82133303 VSECRGYYMUZYTQ-CALCHBBNSA-N 364.493 3.862 0 1 FHAF CCN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc(C)c2)n1 82146793 HKZKMSLHPXALMT-UHFFFAOYSA-N 352.482 3.780 0 1 FHAF Cc1n[nH]c(C(F)(F)F)c1CC(=O)NCc1ccc(F)c(F)c1Cl 84690352 CWJZVZGUWJRQLK-UHFFFAOYSA-N 367.705 3.527 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2C[C@@H]1c1ccccc12 100654026 CCNUQTMMRGAWTF-MKNHVETJSA-N 364.445 3.814 0 1 FHAF COc1ccc([C@]2(c3ccccc3)NC(=N)N(C3CCCCC3)C2=O)cc1 103243773 VPAQPYAVGLFCSO-QFIPXVFZSA-N 363.461 3.638 0 1 FHAF COC(=O)[C@@]12CCC[C@]3(CO[C@@H]1OC)[C@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@H]32 143188752 QWJSPZRTYDZCNG-ZYSXITOGSA-N 374.477 3.914 0 1 FHAF O=C(OC1C2CC3CC(C2)CC1C3)N1CC[C@@H](c2ncc(Cl)cn2)C1 147385258 GPXNGLKBUZVNEE-NHBAOXBKSA-N 361.873 3.881 0 1 FHAF COC(=O)c1[nH]nc([C@@H](O)c2ccc(Cl)cc2)c1-c1ccc(OC)cc1 169690322 CPBULYPIENLSMT-SFHVURJKSA-N 372.808 3.607 0 1 FHAF O=Cc1ccc(OCc2occc2-c2nc3c(Cl)ncnc3[nH]2)cc1 586900365 HCZMFGLWUIQUAL-UHFFFAOYSA-N 354.753 3.658 0 1 FHAF C[C@]1(c2cnns2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587373712 NAOMQGSQEHHMLO-FUHWJXTLSA-N 356.378 3.657 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nn(CCOC)c1C)CC2=O 587476849 RGWSYCBZMKCTFP-OAQYLSRUSA-N 372.465 3.685 0 1 FHAF O=C1C[C@@](Cc2cccc(F)c2)(C(=O)O)Oc2c1ccc1c2CCCC1 587505610 PKTQNPNBEMUSRY-NRFANRHFSA-N 354.377 3.736 0 1 FHAF C[C@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525178 SXPPOCLMJCHUJC-JOCHJYFZSA-N 366.413 3.909 0 1 FHAF CO[C@@H]1[C@H](C)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C12CCC2 587599888 IQJOFGBRAOYHMQ-FTKFECKFSA-N 366.413 3.928 0 1 FHAF Cc1ccccc1C(=O)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603158 NAJBFOJXNMNAPT-XMSQKQJNSA-N 360.365 3.914 0 1 FHAF COC(=O)c1cccc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c12 587926642 MPPUWQAAOYGONA-GFCCVEGCSA-N 354.406 3.713 0 1 FHAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(-n5cccn5)c(F)cc4[nH]1)(C3)C2 587968969 KAEYZQWENHPABX-YBRFYESBSA-N 350.397 3.535 0 1 FHAF COc1nn2cc(-c3nc4c(OC(F)(F)F)cccc4s3)nc2s1 653665380 KXAWTRHSKAVPGU-UHFFFAOYSA-N 372.353 3.975 0 1 FHAF CCC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCOCC3)ccn12 653790210 QUXNWLHQIYALDV-UHFFFAOYSA-N 374.444 3.683 0 1 FHAF COc1ccc([C@H]2CN(Cc3c(C)cccc3F)C[C@@H]2N(C)C)cc1OC 1772616858 NHZYKXLISRSSLC-QUCCMNQESA-N 372.484 3.681 0 1 FHAF COc1cc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)ccc1C 1857766557 NBPITMNATCCMHH-UHFFFAOYSA-N 361.445 3.743 0 1 FHAF COc1ccc(-c2ccc(CNC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)s2)cn1 1857772568 BCDZFSUHMYXLDZ-VKFLQFAXSA-N 370.518 3.992 0 1 FHAF CC=C1[C@H]2C[C@H]3c4c(c5cc(O)ccc5n4[C@@H](C2)O[C@@H]1OC)CCN3C 2356524489 GNHJRZWCDXRDDL-FSODHHQYSA-N 354.450 3.734 0 1 FHAF CC=C(C)C(=O)O[C@H]1Cc2c(cc3oc(C)cc(=O)c3c2OC)OC1(C)C 2356679354 QNOQNIIIQHXDAV-KRWDZBQOSA-N 372.417 3.702 0 1 FHAF COC(=O)C1=Cc2c([nH]c3ccccc23)C(=O)[C@H](O)c2c1[nH]c1ccccc21 2356790486 FQAZUVYFBRRLTN-HXUWFJFHSA-N 372.380 3.593 0 1 FHAF Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 1359145 XMKBUBLGJDBLFD-IBGZPJMESA-N 351.450 3.616 0 3 FHAF O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CCCCC1 2466660 HOMMVEDPAZBKRL-RTWAWAEBSA-N 360.457 3.536 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCO 4212837 TUEOZKDULHQFEU-UXHICEINSA-N 360.498 3.932 0 1 FHAF CCCCn1c(=O)cc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc21 100643252 SHZKSHSMYOTECL-HZPDHXFCSA-N 368.477 3.584 0 1 FHAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@H](O)[C@H]1CC=CCCCC(=O)O 2356346647 VSRXYLYXIXYEST-BZSNNMDCSA-N 352.471 3.683 0 1 FHAF COC(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccc(OC)cc2C)no1 61904114 XJBQORSXUFHTOS-INIZCTEOSA-N 373.409 3.537 0 3 FHAF O=C(CC1(n2cccc2)CCCCC1)NC[C@@H]1CCCN2CCCC[C@@H]12 2356762149 CQIGFXDJZDAVDJ-PMACEKPBSA-N 357.542 3.918 0 1 FHAF COc1ccc2cc3c(c(-c4ccc5c(c4)OCO5)c2c1OC)C(=O)OC3 14726744 BBEFSDNXXNECSY-UHFFFAOYSA-N 364.353 3.923 0 1 FHAF biogenic CCc1cc(-c2c[nH]c3ncc(-c4cnn(CC(C)C)c4)cc23)nc(N)n1 43202112 UCPCTKLUCPTSCC-UHFFFAOYSA-N 361.453 3.684 0 1 FHAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]([C@H](O)CCC(C)=O)C2=O 138869153 IQBWPVDJDAJSKO-DNVCBOLYSA-N 362.466 3.825 0 1 FHAF C[C@]1(c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)CCSC(N)=N1 96174373 YBMZEZJMALJSSB-LJQANCHMSA-N 373.453 3.510 0 1 FHAF CCn1cc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 144904617 SSHLXVMUPHCFAJ-LJQANCHMSA-N 374.362 3.841 0 1 FHAF CS(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1 140021788 XEKDPXXEVXIHAC-UHFFFAOYSA-N 355.444 3.992 0 1 FHAF O=C1Nc2cc(Cl)ccc2/C1=C/c1cc(-c2ccc3c(c2)OCO3)n[nH]1 299863784 LLXMXUZIOQGOHM-AUWJEWJLSA-N 365.776 3.952 0 1 FHAF CCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3[C@H]1C2 653724799 WWLFCQLHCAEMAP-GOSISDBHSA-N 369.461 3.854 0 1 FHAF COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587590099 XRMPCGGFZZLYIA-RXVVDRJESA-N 363.369 3.673 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](CC(=O)O)C2)N1 587825489 DTVSFBLIGFFAAO-LSYCYVAJSA-N 356.235 3.593 0 1 FHAF CC[C@H](C)c1ccc2[nH]c(-c3ccnn3CC)c(C(=O)C(=O)OC)c2c1 587641048 DMGCFBHPPUMPEA-LBPRGKRZSA-N 353.422 3.921 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3OC(C)(C)O[C@H]32)N1 587837911 LIFRRHVLWLLIRE-WFQKOJPZSA-N 370.262 3.632 0 1 FHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cnc2[nH]1 587068718 BVHNALPVKKSVGI-JTQLQIEISA-N 365.662 3.659 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(O)c(OC(F)(F)F)c1)[C@@H](C2)C3=O 587421949 MVBSHDQHQCOYHM-APPDUMDISA-N 366.291 3.788 0 1 FHAF COc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1OC 587154404 FDHVCCBWQOQZNK-LJQANCHMSA-N 355.369 3.510 0 1 FHAF CC1(C)[C@H](C(=O)O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355455 UYWFIRUIRINTMI-XPIZARPCSA-N 370.376 3.760 0 1 FHAF Fc1cc2[nH]c(C[C@H]3OCCc4ccsc43)nc2cc1-n1cccn1 587035550 SBDXUNMDOPXWRU-MRXNPFEDSA-N 354.410 3.806 0 1 FHAF FC(F)(F)c1nn(CCc2nc3ccccc3[nH]2)cc1Br 587117371 CFDVCBONAVRCFI-UHFFFAOYSA-N 359.149 3.783 0 1 FHAF Cc1nc(O)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587850675 DWHCVEZIRINSAO-KWKYVRJSSA-N 371.275 3.856 0 1 FHAF O=C(O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587607947 JELRGJBRBOYZSO-XLIONFOSSA-N 362.337 3.793 0 1 FHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc3c(cc2[nH]1)OCO3 587109394 OHIAOFGYWNSFOG-UHFFFAOYSA-N 350.252 3.676 0 1 FHAF O=C1CCC[C@H](c2nc3ccc(I)cc3[nH]2)CC1 586885226 YYJGIWVIDWYZRR-VIFPVBQESA-N 354.191 3.784 0 1 FHAF CCC[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587798481 ONLZWGMAFYDRDT-HWPZZCPQSA-N 358.251 3.681 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)c4ccnc(Cl)c14)[C@@H](C2)C3=O 587423348 XMCWJWWWMSZBDM-BBATYDOGSA-N 354.793 3.724 0 1 FHAF Cc1ccc(Br)c([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963039668 ZJODUKBYZKFDFP-BUXKBTBVSA-N 371.278 3.900 0 1 FHAF CCOC(=O)c1[nH]nc2c1C[C@]1(C)c3cc(OC)ccc3CC[C@H]1C2(C)C 1772616625 CHEHDMNADSKOKJ-HTAPYJJXSA-N 368.477 3.949 0 1 FHAF OCCCNc1cnc(F)c(-c2cncc(Nc3cccc(Cl)c3)n2)c1 13648427 CWLYLDIPBOBIFQ-UHFFFAOYSA-N 373.819 3.869 0 1 FHAF CC[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1 14967364 WHDBVRBJWGZQAF-NSHDSACASA-N 352.356 3.934 0 1 FHAF COC(=O)CC=C[C@H](C)[C@@H](OC)c1c(Br)ccc2c1OCO2 1857622731 WGONEYCOJVMLLL-ZUZCIYMTSA-N 371.227 3.621 0 1 FHAF O=C1N[C@H](c2c[nH]nc2-c2ccccc2)Nc2cc(Br)ccc21 1857630374 BKOFNQARVOSLSP-MRXNPFEDSA-N 369.222 3.693 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N1CCOCC1 4216513 IDTKPVAHRLLHRN-UXHICEINSA-N 374.481 3.568 0 1 FHAF COc1ccc(-c2nc(CSCC(=O)NCc3ccco3)c(C)o2)cc1 4437031 PZBFVDOQRZMHCB-UHFFFAOYSA-N 372.446 3.801 0 3 FHAF CC(C)[C@@H]1CC[C@@H]2[C@]1(C(=O)O)CC[C@]1(C)[C@H](O)[C@](C)(O)C=CC[C@@]21C 2356443644 RXGKONPJVGREKM-RWRVNDKOSA-N 350.499 3.618 0 1 FHAF CN(C)CCNC(=O)c1cccc2[nH]c(-c3ccc4ccccc4c3)nc12 27897921 ZTJJZXWXVAKCAK-UHFFFAOYSA-N 358.445 3.675 0 1 FHAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@@H]3C(=O)O[C@@H]4N=C[C@]21[C@@H]43 2356534089 GTUMUWSDRPQNEC-KYKBHNMBSA-N 373.493 3.751 0 1 FHAF c1ccc(CN2CCc3sc(OCCCN4CCCCC4)nc3C2)cc1 64548756 OAHVKWROMOQIFK-UHFFFAOYSA-N 371.550 3.956 0 1 FHAF Cn1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)n1 72180616 YDEJGKAAZCMVHH-UHFFFAOYSA-N 361.873 3.556 0 1 FHAF COc1ccc(CCN(C)Cc2coc(-c3ccc(O)cc3)n2)cc1OC 72102205 XGRYSXSDMNWKGD-UHFFFAOYSA-N 368.433 3.739 0 1 FHAF CC(C)=CCc1c(O)cc(O)c(-c2coc3cc(O)ccc3c2=O)c1O 14762984 IGOLMISNOLGXAN-UHFFFAOYSA-N 354.358 3.791 0 1 FHAF biogenic O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CCc3ncccc3O2)CC1 40430833 NZZBOICLIUBLLK-MJGOQNOKSA-N 363.461 3.507 0 1 FHAF CC1(C)Oc2cc(C(=O)c3ccncc3F)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84669570 FBEXVAVNGADXIX-BPLDGKMQSA-N 371.408 3.573 0 1 FHAF Cc1ccccc1N1CCN(Cc2cccc(Cl)c2Cl)C(=O)C1=O 95566116 JRTWDYDVCGFNIJ-UHFFFAOYSA-N 363.244 3.677 0 1 FHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C[C@]4(C)[C@H]3CC[C@@]12C 299810000 BVTWUBQLAWUICA-GDOGKZGASA-N 374.569 3.944 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)nn2)N1 587706597 QRHUWMXLKZBIRC-GLEZIHRCSA-N 370.653 3.829 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587080985 WFBUJSNOWPQPJO-ZDUSSCGKSA-N 372.787 3.777 0 1 FHAF Cc1noc(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793789 KZUUKRLPRVAMLC-ZKANADHPSA-N 353.235 3.991 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2N)N1 587751830 ZBPGKUBVVUDTIW-XYZCENFISA-N 365.246 3.674 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587232067 SJJXRLCRPHSNJB-MNOVXSKESA-N 370.280 3.906 0 1 FHAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(Br)nc2[nH]1 587788099 VUWHGWRLYJJASS-UHFFFAOYSA-N 374.238 3.853 0 1 FHAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(F)cc2[nH]1 586952862 IUOQPSKGBVNAAN-UHFFFAOYSA-N 374.422 3.626 0 1 FHAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(C)ccc1C)[C@@H](C2)C3=O 587447798 VMYMZPSEHVAVDF-HTAPYJJXSA-N 366.413 3.820 0 1 FHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccnc(Cl)c4[nH]3)cc2N1 587127262 UZLRDWZDCNJBQI-IMTBSYHQSA-N 356.739 3.782 0 1 FHAF CCN1CC[C@]2(C[C@@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587762848 UWHCZYIAIYYFOM-BWACUDIHSA-N 355.295 3.822 0 1 FHAF COC(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2n1 587225935 NTOBCJCIZSNAID-CQSZACIVSA-N 374.441 3.501 0 1 FHAF CCN(/C=C(\F)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)CC 587547676 MAFCISJSAZZOKY-ZJRUHXGUSA-N 357.381 3.875 0 1 FHAF COCc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587856654 YKOPKKOBEOSNDY-GLEZIHRCSA-N 371.275 3.815 0 1 FHAF Cc1nn(C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552193 OHRXIKGYFZDNAE-CRAIPNDOSA-N 370.792 3.790 0 1 FHAF Cc1cn2c(n1)[C@@]1(CC=C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590859 ZPQQIULALGNAJP-UWJYYQICSA-N 360.369 3.629 0 1 FHAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cnc(Cl)[nH]c-2n1 587782481 LWTAVLULAFZPHD-UHFFFAOYSA-N 352.781 3.910 0 1 FHAF COc1cncc(N)c1-c1nc2c(Br)cc(Cl)cc2[nH]1 587252949 UZAHRDUWBPPJMG-UHFFFAOYSA-N 353.607 3.632 0 1 FHAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1N1C(=O)c2ccccc2C1=O 587631446 BPVNIPPAKDMVED-UHFFFAOYSA-N 372.739 3.548 0 1 FHAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587596849 WNXWFHKQOZMHQD-UWJYYQICSA-N 364.353 3.809 0 1 FHAF COc1ccc([C@@H]2ON=C(C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 13608701 FKISBYGZETZHAB-MOPGFXCFSA-N 373.405 3.658 0 1 FHAF Cc1ccc(C(=O)N[C@H]2CCN3CCc4c([nH]c5ccccc45)[C@@H]3C2)cc1 169321587 NTKBFFJDBQZACC-UWJYYQICSA-N 359.473 3.968 0 1 FHAF c1ccc(CN2CC[C@H](NCCN3CCC[C@@H](c4ccccc4)C3)C2)cc1 1857601476 CCYAENBYIJKXJM-RPWUZVMVSA-N 363.549 3.730 0 1 FHAF COc1ccc(-c2noc(C(=O)O)c2-c2cc(OC)cc(OC)c2)cc1 1857747250 JJCMHIYGUQNBGS-UHFFFAOYSA-N 355.346 3.733 0 1 FHAF COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4055353 QAEZLBCBRWDDSB-IEBWSBKVSA-N 372.852 3.585 0 1 FHAF COc1ccc(-c2onc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1 103265693 DQYJHRHVGCMENZ-UHFFFAOYSA-N 356.378 3.625 0 1 FHAF COP(=O)(OC)[C@@H](C)OC(=O)COc1cccc(Cl)c1Cl 103222858 NIWPEXFGHCNURT-QMMMGPOBSA-N 357.126 3.747 0 1 FHAF CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27883218 XHWQHEXTSXYCEP-WSTLGDPDSA-N 352.471 3.900 0 1 FHAF COc1ccc(Cc2nc3cc(Br)c(C)nc3[nH]2)cc1OC 404594405 ZVEVNKDUIKMVLI-UHFFFAOYSA-N 362.227 3.637 0 1 FHAF O=C1C[C@H](O)C[C@@H](CCn2c(-c3ccc(F)cc3)ccc2C(F)(F)F)O1 26836766 WWKQYHAFGOBLDP-ZIAGYGMSSA-N 371.330 3.770 0 1 FHAF N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccccc3)cc2)c1 26285053 NLUXMDNTONFBKR-QPJJXVBHSA-N 371.440 3.786 0 1 FHAF COC(=O)[C@@H]1[C@H](c2ccc(Br)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 36271791 CKYZQAZVIFDTJK-UOVKNHIHSA-N 372.690 3.842 0 1 FHAF OC[C@H]1CCCN1c1cccnc1Oc1ccc(Nc2ccccn2)cc1 138952808 CGLMOGQLNPWIFU-QGZVFWFLSA-N 362.433 3.974 0 1 FHAF O=C(CNc1nc(-c2ccc(F)cc2F)cs1)NC1CCCCC1 82222821 WCRXPBZGSRANTO-UHFFFAOYSA-N 351.422 3.949 0 1 FHAF Cc1cc(C)c2c(n1)sc1c(NC[C@H](C)N)nc(-c3ccncc3)nc12 223662707 SBVYNSINPDQOPR-NSHDSACASA-N 364.478 3.677 0 1 FHAF Cc1ccc(CNC(=O)[C@@H]2CNC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 45319447 FIGDYIJYOZCGNZ-QZTJIDSGSA-N 362.395 3.633 0 1 FHAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccnc3)c2[nH]1 45497124 CWLNVKFAQINOMH-UHFFFAOYSA-N 358.405 3.828 0 1 FHAF C/C=C/c1cc(OC)c2c(c1)[C@@H](CO)[C@H](c1cc(OC)c(O)c(OC)c1)O2 238787992 NIYWVYHPXJLJBK-ONYHAXFOSA-N 372.417 3.661 0 1 FHAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)NC(C)(C)C)C2 25206529 JPSQRORSWLYHIK-SJLPKXTDSA-N 374.569 3.900 0 1 FHAF biogenic O=C(c1cccs1)n1[nH]c(COc2cc(Cl)cc(Cl)c2)cc1=O 95554657 FTIQNJHSPYKMLN-UHFFFAOYSA-N 369.229 3.812 0 1 FHAF CNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1cccnc1C 299829262 ULIBCQGTCHBHOL-UHFFFAOYSA-N 367.434 3.875 0 1 FHAF COc1cc(OC)c2[nH]c([C@]3(C)C=C(c4ccccc4F)NO3)nc2c1 587155218 INKXVYLHVPIVPQ-IBGZPJMESA-N 355.369 3.510 0 1 FHAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(Br)c(O)c2[nH]1 587057926 AFKUGHQOFRLHIA-NSHDSACASA-N 366.646 3.927 0 1 FHAF COc1ccnc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587585811 GMXLRDZOSVRQMI-RXVVDRJESA-N 363.369 3.673 0 1 FHAF NC(=O)/C(=C/c1ccccc1O)c1nc(-c2cc(F)ccc2F)cs1 587921730 VROAYHWAIGIMRZ-QPEQYQDCSA-N 358.369 3.820 0 1 FHAF Cc1ccc(CCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1N 587251156 ZWBCPDLIXPWQQA-UHFFFAOYSA-N 374.238 3.699 0 1 FHAF O=C(O)c1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612874 LBWCXXNNTMOUTO-RHSMWYFYSA-N 368.366 3.855 0 1 FHAF O=[S@@](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)CC1CC1 586960118 SIXLLXGZNLRRIM-JOCHJYFZSA-N 352.765 3.774 0 1 FHAF CCOC(=O)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349647 QISVULRIWVTIJZ-WIYYLYMNSA-N 370.376 3.602 0 1 FHAF O=C1c2ccccc2-c2cc(-c3cnc(S)nc3O)nc3ccc(O)c1c23 586993413 HPIFMFCZBYFXBK-UHFFFAOYSA-N 373.393 3.603 0 1 FHAF CCc1nn(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587765805 UHRMESIGLNCAEB-ABKXIKBNSA-N 352.251 3.508 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(CC3CC3)n2)N1 587764768 QUUHSMWPFOIZNZ-BTDLBPIBSA-N 364.262 3.818 0 1 FHAF COC(=O)COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524553 SALZXXFRWUFVPT-HXUWFJFHSA-N 366.413 3.824 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)c3ccccc32)N1 587819178 HFZHLSJXDHYMPB-MGNBDDOMSA-N 360.226 3.952 0 1 FHAF O=S(=O)(O)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Cl)c1 587875763 MCUARHKCFICIRY-UHFFFAOYSA-N 366.757 3.684 0 1 FHAF COc1ccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 586972548 IEFDZMLSVZZYML-SFHVURJKSA-N 355.463 3.682 0 1 FHAF Cc1c(Br)ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c12 587093515 FQGSYAZCEOQYKZ-ZETCQYMHSA-N 364.165 3.763 0 1 FHAF COC(=O)c1ccnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12 587134812 OZOCEOHWTONNKL-NSCUHMNNSA-N 369.249 3.610 0 1 FHAF Nc1ncc(Cl)nc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587086410 JBTFHENAJPUUFR-UHFFFAOYSA-N 351.797 3.835 0 1 FHAF Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587510819 YSNRUAVBHMQUOZ-ZDUSSCGKSA-N 366.339 3.730 0 1 FHAF O=C(c1nc2cc3[nH]c(O)nc3cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133499 RAAWYOITUHNREG-UHFFFAOYSA-N 365.151 3.822 0 1 FHAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CCC[C@@H](O)C2 961746372 DBQIWBRASDVLIW-OPAMFIHVSA-N 372.509 3.968 0 1 FHAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1cccnc1 1772573207 YBVGBDZXAULRLO-CMDGGOBGSA-N 368.440 3.997 0 1 FHAF CCCOC1=C(C(=O)O)[C@@H](c2ccc3c(c2)OCO3)Oc2ccccc21 13473337 WESUKUIFGNEJJQ-GOSISDBHSA-N 354.358 3.771 0 1 FHAF O=C1CS[C@@H](c2cccc(Br)c2)N1c1cccc(O)c1 169342618 HEHFNOUXZLNYKE-HNNXBMFYSA-N 350.237 3.933 0 1 FHAF COc1ccc(CN2C[C@@H]3CC[C@@H](OC)[C@H]2CN3Cc2ccccc2)cc1 28825439 POPWLHRAAOBVED-MDNUFGMLSA-N 366.505 3.559 0 1 FHAF COC(=O)[C@H](CCO)CC[C@@H]1C(C)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C 2356463270 VTXPISKEMQUXGD-IVPXXNPKSA-N 352.515 3.708 0 1 FHAF COc1cc(OC)cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)c1 28567840 RBHCFCJNGVMEED-UHFFFAOYSA-N 365.311 3.850 0 1 FHAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]2CC[C@H]3C[C@@]12C[C@]3(C)O 2356554939 CIIDMMPURFCERH-RCZXYKHUSA-N 364.526 3.684 0 1 FHAF CCNC(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 28568691 DGCNLEJTGGXFLE-RIFRSIMTSA-N 355.478 3.570 0 1 FHAF in-vivo O=C(NCc1ccco1)c1cccc(-n2sc3ccccc3c2=O)c1 64693647 KBOSYKSNFKXWFF-UHFFFAOYSA-N 350.399 3.575 0 1 FHAF CCC(=O)Oc1c2c(c(OC(=O)CC)c3cc(Cl)ccc13)OCCO2 26263379 SRSILNKDBABTCD-UHFFFAOYSA-N 364.781 3.895 0 1 FHAF CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1c(F)ccc(C)c1F 61895783 POZMVLYHZUBQOR-LJQANCHMSA-N 352.425 3.574 0 3 FHAF O=C(O)CCCCCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F 34513577 OYDDTBFTUCDZIE-UHFFFAOYSA-N 353.287 3.537 0 1 FHAF Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N[C@@H]4CCNC4)n3n2)cc1 72184881 RXRKEZSPDRCUBM-GOSISDBHSA-N 373.435 3.976 0 1 FHAF COc1cc(Nc2ccccc2)ccc1NS(=O)(=O)c1c(C)noc1C 84688014 OHMKNLXAJNRWAR-UHFFFAOYSA-N 373.434 3.844 0 1 FHAF CN1C(=O)NC(=O)[C@H]1Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1 45358215 ADEZZPOFGABOAN-CQSZACIVSA-N 365.216 3.878 0 1 FHAF CC(=O)NCCc1ccc(O[C@@H]2CCC[C@@H](O)C2)cc1-c1cccc(F)c1 653739091 OPQQTXIBRDUNLP-WOJBJXKFSA-N 371.452 3.854 0 1 FHAF Cc1nc(O)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774554 WIOVZSCORBXMHK-XYZCENFISA-N 365.246 3.795 0 1 FHAF C[C@@H](O)c1ncc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)s1 587022833 ZSPFTHQAUCKJPK-RXMQYKEDSA-N 364.299 3.789 0 1 FHAF Cc1ccc2c3c(c4c(nc13)C[C@H]1CC(=O)NC[C@@H]41)-c1ccccc1C2=O 587096261 ILEBPFUDORGULR-BLLLJJGKSA-N 354.409 3.530 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn3ccccc23)N1 587794451 MRKJZFANUSGWKC-BMLIUANNSA-N 360.230 3.860 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cnn2C)N1 587697246 NCDVFLRTLVSXNP-CPFSXVBKSA-N 358.642 3.599 0 1 FHAF CCOC(=O)[C@H](C)[C@@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448753 BXFAZVXOBQELPU-GZNWPSJOSA-N 372.442 3.599 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C3CC3)[nH]n2)N1 587799070 WBILACLHORFWCE-PWJLMRLQSA-N 350.235 3.812 0 1 FHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1O 587591134 FYSRNQYXCIKESI-RXVVDRJESA-N 364.353 3.809 0 1 FHAF CCCCNS(=O)(=O)c1ccc2nc(C3(F)CCCCC3)[nH]c2c1 587132840 VTJJVCSUQWHPGL-UHFFFAOYSA-N 353.463 3.770 0 1 FHAF Clc1ccccc1NCc1nc2ccc(CN3CCOCC3)cc2[nH]1 587061413 GDBOUYYINNXRDG-UHFFFAOYSA-N 356.857 3.661 0 1 FHAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c2ccc(F)c1F 587503128 CSHLQFIQLRUBLU-FQEVSTJZSA-N 355.340 3.656 0 1 FHAF C[C@]1(c2cnc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590387 ZSSYLALRHPPVPM-DENIHFKCSA-N 372.380 3.917 0 1 FHAF Nc1cccc([C@]2(CCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)c1 963099482 HUKNTWSBAXIMCO-DYESRHJHSA-N 354.425 3.537 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCc3ccc4ccccc4c31)NCC2 962929706 WCUMKNOEXLLUSQ-XMMPIXPASA-N 356.469 3.877 0 1 FHAF COCCCOc1ccc(Nc2nccc(N3CCC(C)CC3)n2)cc1 1857566474 ZGGOBQSHNYUFEZ-UHFFFAOYSA-N 356.470 3.872 0 1 FHAF O=C(O)c1ccc2cccc(C(=O)Nc3ccc(C(F)(F)F)cn3)c2n1 1857648464 YZHFKOXDXGLIKC-UHFFFAOYSA-N 361.279 3.599 0 1 FHAF NC1(Cc2ccc3ccccc3c2)CCN(c2ncnc3[nH]ccc23)CC1 43174779 KAKZOMPHRJQWRI-UHFFFAOYSA-N 357.461 3.652 0 1 FHAF Cn1c2c(ccc1=O)[C@@H](NCCc1ccc(C(F)(F)F)cc1)CCC2 13743276 IBIJVXMFUOIWEP-INIZCTEOSA-N 350.384 3.614 0 1 FHAF COc1ccc2c(c1)[C@H](NCCN(C(C)C)C(C)C)c1cccnc1CO2 26840882 VWKIAYZFXKMFHJ-JOCHJYFZSA-N 369.509 3.780 0 1 FHAF CC(C)(C)OC(=O)c1ccc(NC2CCN(c3ncccn3)CC2)cc1 27524564 GBPWCHIHOHIRMJ-UHFFFAOYSA-N 354.454 3.513 0 1 FHAF COc1ccc(-c2cn(C)nc2-c2cc(Cl)c(O)cc2O)cc1OC 28459607 LYRUENRNVMISHP-UHFFFAOYSA-N 360.797 3.836 0 1 FHAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C(C)C)N2CC2CCCC2)cc1 40943371 FGJFHAXXXSPFQQ-PZJWPPBQSA-N 355.526 3.808 0 1 FHAF O=S1(=O)CCCCCNc2nc(cc(C(F)(F)F)n2)-c2ccc1cc2 43021449 MHZTYRQVELFTGE-UHFFFAOYSA-N 371.384 3.532 0 1 FHAF CCCN1CCC[C@@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 49069270 AVVYPTYKGGWLGP-OAHLLOKOSA-N 358.507 3.571 0 1 FHAF Cc1cc(-c2cc(C)c([C@H]3CCCN3C(=O)c3cnccn3)cn2)ccn1 72175356 CASOIDDYMKIXSH-HXUWFJFHSA-N 359.433 3.528 0 1 FHAF O=C(COc1ccccc1)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1 73198698 VSLUPRFXPPLUOT-GOSISDBHSA-N 356.809 3.900 0 1 FHAF COc1ccc([C@@H](O)c2c3cc(OC)cc(C)c3nc3[nH]nc(C)c23)cc1 73199088 NJVOBGWGMQUPTG-HXUWFJFHSA-N 363.417 3.827 0 1 FHAF CCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21 95594231 XRDHVWZYNOSNQZ-UHFFFAOYSA-N 372.513 3.686 0 1 FHAF Nc1nc(-c2ccco2)nc2sc(CN3CCC(F)(F)CC3)cc12 118594462 FQKBLTSUJQOBHC-UHFFFAOYSA-N 350.394 3.765 0 1 FHAF CCN(CC)CCS[C@@H](N=O)C(=O)c1ccc(Br)cc1 169713408 UCKKGODQYYGRNH-CQSZACIVSA-N 359.289 3.799 0 1 FHAF CC1=C(C(=O)OCc2ccc(Cl)cc2)[C@@H](c2ccccc2)NC(=O)N1 205377995 QYLYWJUCWCUJQA-QGZVFWFLSA-N 356.809 3.711 0 1 FHAF Nc1ccc(-c2ccc3nc(C45CCC(CO)(CC4)CC5)[nH]c3c2)cc1N 586895744 WTGVTMPZRXNXKE-UHFFFAOYSA-N 362.477 3.979 0 1 FHAF CS(=O)(=O)c1cccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 586927581 VOGSAVXPWPVHTD-UHFFFAOYSA-N 358.316 3.791 0 1 FHAF Cc1nn(Cc2nc3cnc4ccccc4c3[nH]2)c(C)c1Br 586978690 BQIYXYKGGXFEDG-UHFFFAOYSA-N 356.227 3.735 0 1 FHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3cn[nH]c3cc2[nH]1 587079215 HMSPWZPOJOOTRC-CYBMUJFWSA-N 350.813 3.816 0 1 FHAF COC(=O)c1cc(Cl)ccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420712 QTSNXDBEYIGCEZ-QRWLVFNGSA-N 372.804 3.798 0 1 FHAF CCN(C)c1ccc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cn1 962569073 MCNWKUUIIKHJIL-XOBRGWDASA-N 355.482 3.521 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 962956913 ZBGTWFQYFAFOJZ-LFVRLGFBSA-N 373.456 3.754 0 1 FHAF COc1cccc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)c1OC(C)=O 963103724 OACRLYNRUKFCTC-FOIQADDNSA-N 355.409 3.870 0 1 FHAF O=S(=O)(Nc1cccc2c1CCCC2)c1ccc(C2CCNCC2)cc1 1857537496 AIDRPVUXULIEIL-UHFFFAOYSA-N 370.518 3.833 0 1 FHAF O=C(O)c1ccc(NS(=O)(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 1857541013 QJBUGVHXHSQYFK-CMDGGOBGSA-N 371.336 3.816 0 1 FHAF O=C(N=c1[nH]c2ccccc2[nH]c1=Nc1ccc(F)cc1)c1ccccc1 1911583754 SUPHOBHXAOMVAJ-UHFFFAOYSA-N 358.376 3.609 0 1 FHAF COc1cc([C@@H]2OC[C@@H](Cc3cc(OC)c(O)c(OC)c3)[C@H]2C)ccc1O 2356418269 DHWYNFQVHPLJKU-RWCMSOCESA-N 374.433 3.690 0 1 FHAF CC=C(C)[C@@H]1O[C@@H]2C(CO)=C[C@](C)(C=CC(=O)O)[C@@H]3C(C)=C[C@@]1(C)[C@@]23C 2356481713 ZEQFTKODFDOLED-ZOJFBHTKSA-N 358.478 3.888 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2C1=CC(=O)OC1 2356579239 VMPVNEMZRALGCT-HTTJFOBNSA-N 372.505 3.524 0 1 FHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@@H](CC5=CN[C](N)C=C5)C4)(C[C@H](N)[C@H]31)O2 2356864876 XMHHIDXDIZSJNN-DYCSLHONSA-N 370.561 3.739 0 1 FHAF COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2cccc(F)c2)cc1Cl 227345064 YFGKPPIJCUAZKC-WMZOPIPTSA-N 360.816 3.998 0 3 FHAF Cc1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)c(C)c1 2451826 QNXDIZXJRBAMGF-QFIPXVFZSA-N 353.506 3.998 0 3 FHAF CC(C)(C)c1ccc2c(c1)C(=O)C1(CCN(CC3CCOCC3)CC1)N2 1911583811 BBPWEFMDQMWGTE-UHFFFAOYSA-N 356.510 3.854 0 1 FHAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638804 URKYBTISJBKTKP-IZAXUBKRSA-N 372.509 3.680 0 1 FHAF COC(=O)C=C(C)C[C@H](O)[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@]2(C)O 2356656073 PTXPYBHMAVQSPJ-CYSNJDBQSA-N 352.515 3.850 0 1 FHAF CCOC(=O)C1(c2ccccc2)CCN(CCCC[C@@H]2CCCO2)CC1 31622349 KYEXKNZXSZSPFG-HXUWFJFHSA-N 359.510 3.933 0 1 FHAF in-vivo CO[C@H]1c2c(O)cccc2C2=C3CCC(=O)c4c(O)ccc(c43)[C@@H]2[C@H]1OC 34008746 DROORLDPDTXWFN-ILWGZMRPSA-N 364.397 3.798 0 1 FHAF C=C1CCCC(C)(C)[C@]1(O)CC[C@]1(C)CC[C@@H]([C@H](C)C(=O)OC)OO1 85929829 OHYYIYQJXHASNH-FVCZOJIISA-N 354.487 3.942 0 1 FHAF biogenic Cc1nn(-c2ccccc2)cc1CC(=O)NCc1ccc(F)cc1Cl 49112909 GZOLMOVYWHXVLJ-UHFFFAOYSA-N 357.816 3.832 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCCC2=O 49069205 MIPSWIHHZZXCHZ-UHFFFAOYSA-N 373.408 3.781 0 1 FHAF CSc1cccc(N(C[C@H]2CCCN2)C(=O)COc2ccccc2)c1 40422105 FOAQNSXYRJUBIV-MRXNPFEDSA-N 356.491 3.573 0 1 FHAF Cc1cccc(-c2nc(N3CCOCC3)ncc2-c2nc(C)c(C)o2)c1 82173280 XJECTJJUKLMTOO-UHFFFAOYSA-N 350.422 3.560 0 1 FHAF CC(C)CNc1ncnc2c1nc(CC(C)C)n2CCN1CCCCC1 82178053 POKOONGKKJIJKF-UHFFFAOYSA-N 358.534 3.579 0 1 FHAF O=C(N[C@@H](C1CC1)C(F)(F)F)c1ccc(OCc2cccc(F)c2)nc1 95574693 ZSCSDBPLJVIOSK-INIZCTEOSA-N 368.330 3.870 0 1 FHAF CCn1nccc1-c1cnn2c(=O)cc(-c3ccc(Cl)c(Cl)c3)[nH]c12 147530534 FCIVVNYKUAMPGH-UHFFFAOYSA-N 374.231 3.880 0 1 FHAF O=S1(=O)N=C(Nc2ccccc2)Sc2ccc(C(F)(F)F)cc21 95581961 DOZQUMHGDPISTG-UHFFFAOYSA-N 358.366 3.968 0 1 FHAF Cc1cc(O)c(C(=O)CCCCCCCC(=O)N2CCCCC2)c(=O)o1 95580885 YAOSLCICKVKZEM-UHFFFAOYSA-N 363.454 3.580 0 1 FHAF Cc1n[nH]c(=Nc2ccc3c(c2)ncn3C2CCN(C)CC2)c2ccccc12 473103988 NNWBHTDBDDYBAH-UHFFFAOYSA-N 372.476 3.720 0 1 FHAF COc1ccccc1/C=C\CN1C[C@@H]2CCC[C@H](C1)[C@@]2(O)c1cccnc1 299855827 GPOIPVRAQNIIHX-OSYSTPOGSA-N 364.489 3.723 0 1 FHAF Fc1cc(-c2nc3ccc(Br)nc3[nH]2)cc(N2CCCC2)n1 587177589 OUUIDMFFHZKYGF-UHFFFAOYSA-N 362.206 3.522 0 1 FHAF COc1cc(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC 587398312 FDDMSVOOKPGNNM-OAQYLSRUSA-N 371.433 3.570 0 1 FHAF NC(=O)c1cccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137542 AZTZQWMDWPIAMZ-UHFFFAOYSA-N 368.593 3.884 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cn2)N1 587736498 WDOKBPSZTWOXII-JDNHERCYSA-N 353.210 3.920 0 1 FHAF COc1cc(C)nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587772829 PBNSKTLAYRKQME-XLFHBGCDSA-N 365.246 3.924 0 1 FHAF COc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1OC 586982579 MFXRFSCTIGZETL-UHFFFAOYSA-N 361.195 3.822 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)nc1F 587572494 VNGKUHMRCNACAK-MAUKXSAKSA-N 355.296 3.768 0 1 FHAF CCOC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587514731 OMQFKZOYPZIZES-OAQYLSRUSA-N 357.450 3.910 0 1 FHAF Cc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)cs2)o1 587017740 YMIBSEXOXVZOIW-UHFFFAOYSA-N 361.404 3.502 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(C)nc4ccc(Cl)cn14)[C@@H](C2)C3=O 587422363 UCERUTVLTWNXQY-ORAYPTAESA-N 354.793 3.793 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)ncc2[nH]1)C[C@@H]1CCCO1 587197949 YBSYNUBJPVIESF-NSHDSACASA-N 366.849 3.527 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1CCO[C@@H]1C2(C)C 587838216 MUVVWVGKALGQHQ-IXFPXVLDSA-N 354.263 3.763 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccccc3C2=O)N1 587818622 RNEYPRMUGDFVBB-XTZNXHDOSA-N 360.226 3.757 0 1 FHAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cc3c(cc2[nH]1)OCO3 587115981 IAXAJODDRVGQOA-UHFFFAOYSA-N 358.279 3.921 0 1 FHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnccc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239368 JQQPGYHBFXYJTG-LCMPSIMXSA-N 372.469 3.513 0 1 FHAF CC[C@@]1(C2=NCCS2)N[C@H](C)Cc2ccc(F)c(Br)c21 587856580 NLVGOOUOCGZYJS-RFAUZJTJSA-N 357.292 3.873 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)cc(F)cc21 587472690 VDCBFDVHJQHTLY-HXUWFJFHSA-N 355.365 3.605 0 1 FHAF Cc1cc2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2c(C)n1 587019675 TYRFDMRFXDDBSB-UHFFFAOYSA-N 369.475 3.936 0 1 FHAF O=Cc1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 586981410 BOCMVFAKIAYKMF-UHFFFAOYSA-N 370.206 3.690 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccncn1)(c1ccc(F)cc1)O2 587384531 LSVJHEZXEPCVRK-OAQYLSRUSA-N 363.392 3.610 0 1 FHAF O=C(O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1 957853820 QXKYCPUAUYBMBI-UHFFFAOYSA-N 350.403 3.592 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C=C(NC)NC)(c2ccccc2C)N1 962961677 XZGQDXIXBLDPSK-XDHUDOTRSA-N 374.532 3.924 0 1 FHAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)C1CCCCC1 13488380 RSHHWIMRRJFJJN-SLKVGHROSA-N 351.487 3.510 0 1 FHAF Oc1nc(NCc2ccccc2)nc(Nc2ccc3ncsc3c2)n1 13611476 CQVHGVPCTLRAMT-UHFFFAOYSA-N 350.407 3.543 0 1 FHAF O=C(O[C@H]1CN2CCC1CC2)N1Cc2ccccc2[C@@H](c2ccccc2)C1 13674415 IXGRKPFGSCOIIW-YADHBBJMSA-N 362.473 3.865 0 1 FHAF CS(=O)(=O)c1ccc(-c2nc3cnccc3n2-c2ccc(F)cc2)cc1 13861641 PXPVJNATEBPHGR-UHFFFAOYSA-N 367.405 3.630 0 1 FHAF COc1ccc(NC(=O)c2cc(O)nc3cc(Br)ccc23)cc1 1857643958 YGCWFEGXLYKQQJ-UHFFFAOYSA-N 373.206 3.964 0 1 FHAF O=C(Oc1ccccc1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 3956301 VQYBYCNBKCIVKL-UHFFFAOYSA-N 365.477 3.959 0 1 FHAF COc1ccc(Br)cc1CNC(=O)c1cc(CC(C)C)on1 6750135 HPTCHIQYFZFZFU-UHFFFAOYSA-N 367.243 3.574 0 1 FHAF CCC(=O)c1ccc(OC[C@@H](O)CNCCc2ccc(Cl)cc2)cc1 6788785 ZSBFVJLQGRKZBT-SFHVURJKSA-N 361.869 3.505 0 3 FHAF Clc1ccc2nc(N3CCNCC3)c(Sc3ccccc3)nc2c1 25968471 KFNGYQUIDOPJEE-UHFFFAOYSA-N 356.882 3.844 0 1 FHAF CC(C)[C@H]1[C@@H]2N[C@H]3O[C@@H]1C[C@@]1(C)[C@H]3CC[C@@H]3CCC=C3[C@@]21CCC(=O)O 2356522784 SOIZKWUEDVIFPK-KPQQGLIYSA-N 359.510 3.963 0 1 FHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](O)(c1cccc(Cl)c1)C(=O)N2 219504595 LAVGVPLHLCEUFA-IBGZPJMESA-N 354.793 3.800 0 1 FHAF CCCCC[C@H](O)CCc1cccc(=O)n1CCCCCCC(=O)O 1911586374 BZFMOMUMMMUZDV-SFHVURJKSA-N 351.487 3.757 0 1 FHAF O=C1NC(=O)[C@H](Cc2ccc(Oc3cc4ccccc4cn3)cc2)S1 45369132 HMMTUBVWEUGYBC-INIZCTEOSA-N 350.399 3.921 0 1 FHAF COC(=O)CCSC/C=C(\C)CCn1cc(Cc2ccccc2)nn1 84723481 XPLNABQGUHVORZ-CXUHLZMHSA-N 359.495 3.502 0 1 FHAF COc1cc(Cl)ccc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1 299820375 PGXSSBALVLNDFL-PHZGNYQRSA-N 374.868 3.867 0 1 FHAF Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)ccc12 299823741 UDMWFCCCDQUYMB-UHFFFAOYSA-N 364.430 3.613 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc(F)c2)N1 587740516 XRRLMNMVUJVNEV-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF CC[C@]1(CC(=O)Oc2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587403821 RQBJWXKVQGMLMH-OAQYLSRUSA-N 369.417 3.696 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N[C@@H](C)c1ccccc1)O2 587386392 ITRMVLWOJGWXNA-LHSJRXKWSA-N 352.434 3.569 0 1 FHAF Cc1ccc([C@@]2(CO)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587827736 QIUBNFDQTUGPMF-KZULUSFZSA-N 364.258 3.667 0 1 FHAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587805270 FFDLYSQKHDUOLX-VVVCHXIZSA-N 366.230 3.926 0 1 FHAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232168 MHLFJCMUMPUBKV-IBGZPJMESA-N 361.405 3.836 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccccc4F)c1)[C@@H](C2)C3=O 587425473 CZJGBUBBIIANJJ-VBKZILBWSA-N 350.349 3.509 0 1 FHAF Clc1ccc(C2=C[C@@H](c3nc4cc5c(cc4[nH]3)OCCO5)ON2)cc1 587077686 YDVOBFONXXKODD-KRWDZBQOSA-N 355.781 3.605 0 1 FHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(F)c(F)c3[nH]2)C(F)(F)C1 587131879 FFWYRSABZMIMRW-QMMMGPOBSA-N 359.323 3.811 0 1 FHAF Cc1nn(C)cc1[C@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587515654 NMVVSEJQBRDSOR-LEQVUBRHSA-N 365.477 3.543 0 1 FHAF Cc1cc(Br)c2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2c1 587249305 GDVYKULOFQENBM-UHFFFAOYSA-N 360.211 3.505 0 1 FHAF COC(=O)c1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cn1 587033051 QENLLSHOLSGYSR-UHFFFAOYSA-N 364.430 3.752 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc(S(C)(=O)=O)c2)N1 962962524 WCLCMOPVUNLKEV-YCRPNKLZSA-N 368.502 3.759 0 1 FHAF [C-]#[N+]c1ccc2c(c1)[C@@]1(N=C(C)C(N)=N1)[C@]1(C2)C[C@H](C)[C@@H](OC)[C@H](C)C1 1772645912 XDEYYVVDSVTBMO-RSFMMIOLSA-N 350.466 3.845 0 1 FHAF Cc1ccc(S(=O)(=O)N[C@@H](CCN(C)C)c2ccc(Cl)cc2)cc1 13684904 FLDYOAPQWUARBK-SFHVURJKSA-N 366.914 3.620 0 1 FHAF CC1(C)C=Cc2cc(-c3coc4cc(O)cc(O)c4c3=O)c(O)cc2O1 15203286 MAOBJUGJEZAGKU-UHFFFAOYSA-N 352.342 3.761 0 1 FHAF biogenic COc1ccc(NC(=O)CN2C(=O)C[C@@H](C)Sc3ccccc32)cc1 5052381 KGIJPRXPANVLPM-CYBMUJFWSA-N 356.447 3.551 0 1 FHAF CC(C)NC(=O)[C@H]1C[C@@H]1[C@H](NC(=O)OCc1ccccc1)c1ccccc1 7992653 WDOGXNCKAXIVDS-SLFFLAALSA-N 366.461 3.815 0 1 FHAF CC(C)(C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCC3)n1 13560989 VOUFJXLXOWMZOG-UHFFFAOYSA-N 367.428 3.527 0 1 FHAF C[C@H]1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)O)c21 13978763 KZALYMKORCVHMR-NSHDSACASA-N 363.410 3.765 0 1 FHAF OCCN1N=C2/C(=C/c3ccccc3)CSC[C@@H]2[C@H]1c1ccccc1 34588886 CXMODPOEHDEXPR-KTJQLDGKSA-N 350.487 3.838 0 1 FHAF Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C[C@@H](N(C)C)CC3)cc1 60325490 DEZPWQOAHILRIP-INIZCTEOSA-N 368.502 3.606 0 1 FHAF C=CC1=C(C(=O)NCCc2ccccc2F)[C@H](c2ccc(OC)cc2)OC1 73219519 DBXARRLLLDLTAX-NRFANRHFSA-N 367.420 3.747 0 1 FHAF Cc1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2nc(C)c(C)o2)c1 82173451 VSSSRVLDPQXAFN-UHFFFAOYSA-N 364.449 3.685 0 1 FHAF CC(C)N(C)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 82232165 DUYKEZRYTQVJRX-UHFFFAOYSA-N 354.479 3.596 0 1 FHAF COc1cc(OCCN(C)C)ccc1/C=C1\C(=O)Nc2ccc(Cl)cc21 95561988 ROROMKAELHOCFQ-YVLHZVERSA-N 372.852 3.782 0 1 FHAF O=c1cc(-c2ccc(Cl)cc2)oc2ccc(CN3CCNCC3)cc12 103217755 FBZWEXLWZMHUMB-UHFFFAOYSA-N 354.837 3.519 0 1 FHAF COc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(S)nc(O)c21 103910376 YZYKFNWRIFTVMZ-CYBMUJFWSA-N 355.419 3.694 0 1 FHAF CCCCCc1ccc(-c2cn(CC(=O)Nc3cc(C)on3)nn2)cc1 169326774 UJNFLGZRFQPNTJ-UHFFFAOYSA-N 353.426 3.613 0 1 FHAF CN(C)CCCSc1ncc([C@@H](N=O)c2ccc(Cl)cc2)n1C 169720875 JHXPAJNFQLFMGR-HNNXBMFYSA-N 352.891 3.973 0 1 FHAF COC1CCN(c2nccc(Nc3cc4c(ccn4C(C)C)cn3)n2)CC1 222762576 FQXIPYVUOFUNCY-UHFFFAOYSA-N 366.469 3.766 0 1 FHAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(N)ccnc3[nH]2)c1 587198398 INAFXMCVWOGNFZ-UHFFFAOYSA-N 353.426 3.887 0 1 FHAF CC(=O)NC1(c2nc3cccc(Br)c3[nH]2)CCC(C)CC1 587234122 GMOVRLGLZMXBMT-UHFFFAOYSA-N 350.260 3.867 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CCN(C)C)(c1ccc(O)cc1)CC2=O 587469298 NAMGVDWUQAHZIE-QFIPXVFZSA-N 369.461 3.863 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccncc3)nc1C)CC2=O 587474684 GNOZSBGBHKXGCQ-FQEVSTJZSA-N 363.417 3.940 0 1 FHAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)O)(c2ccccc2)C1 587478557 BCLQBXJKHTZGBJ-UHFFFAOYSA-N 366.413 3.865 0 1 FHAF CS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587500309 BADPVNDSZGNJFJ-IBGZPJMESA-N 374.433 3.815 0 1 FHAF C[C@@H]1CCCCN1C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582526 LYJGOOYWGIXQBF-YIFZBPKDSA-N 367.445 3.987 0 1 FHAF C[C@]1(c2cccc(CO)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611290 RZPLTJPMPLKIKN-DENIHFKCSA-N 362.381 3.762 0 1 FHAF COCc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587775031 YDXJNVJFRXHNNL-DYZYQPBXSA-N 365.246 3.753 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)s2)N1 587847280 KBMWVEVHVKPYGG-UOWDBTKRSA-N 370.243 3.972 0 1 FHAF CC(=O)c1ccc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962761848 HLDYMNJSANIHAO-WFASDCNBSA-N 353.365 3.686 0 1 FHAF Cc1cccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1Br 962914153 RXUMQGLBYVOFRQ-HOCLYGCPSA-N 364.214 3.585 0 1 FHAF Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)c2cccc(Br)c2CCN1C 963289647 PXPIWGWZBSTGDO-IBGZPJMESA-N 371.278 3.750 0 1 FHAF COc1cccc(F)c1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772611355 SVAFWEKJIYTTKR-AWEZNQCLSA-N 356.353 3.799 0 1 FHAF O=C(c1cccc(Cl)c1)N1CCN(c2ccc(-c3ccno3)cc2)CC1 1772623610 JRWFCPZZVRHFCW-UHFFFAOYSA-N 367.836 3.957 0 1 FHAF CC(C)C[C@@H](NC(=O)/C=C/c1ccccc1)NC(=S)NC1CCCCC1 1772641331 SEXFVVRGDCVPGV-KQDNUWKFSA-N 373.566 3.985 0 1 FHAF CC1(C)O[C@@]2([C@@H]3C[C@H](CO)C[C@@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@@H](N)C2 2356482343 KXYOIBBIVWUHEW-ZTOPRRCPSA-N 373.537 3.635 0 1 FHAF C[C@H]1Cc2cc(C=C[C@@]34NC(=O)CN3c3ccccc3C4(C)C)ccc2O1 2356742436 TWCVOODGGUWAPC-NPMXOYFQSA-N 360.457 3.647 0 1 FHAF COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cc(C)ccn3)c2)cc1 1006627 WEOROJLRSUMPTH-UHFFFAOYSA-N 361.401 3.903 0 3 FHAF CCC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 22460265 ZOMSSSRBLWJELL-UTKZUKDTSA-N 371.550 3.522 0 3 FHAF COc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 201486642 GOCTVTCZTRAIIQ-ZDUSSCGKSA-N 369.446 3.827 0 3 FHAF CN(C)CCNC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 1634413 SQERONFIZXJBGD-UHFFFAOYSA-N 366.292 3.957 0 1 FHAF CC(C)CC(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 2456416 IVPWILUKILBGQP-FQEVSTJZSA-N 358.388 3.881 0 1 FHAF CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(CCN(CCO)CC2)C1 1911574477 WNPFGIFEKPKWMQ-ISHKIFBASA-N 354.538 3.695 0 1 FHAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(Cl)cc1 104115607 FGTUKIAQMSRCSO-DPEHCCBOSA-N 361.833 3.998 0 1 FHAF Cc1cc2nc([C@H]3CCCO3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C 103247292 YZUAKSJUXZOMNM-GOSISDBHSA-N 374.448 3.601 0 1 FHAF O=C1CCN([C@@H]2CCCC[C@H]2OCCc2ccccc2C(F)(F)F)C1 28653841 KFUYGHAZZKOAEI-QZTJIDSGSA-N 355.400 3.851 0 1 FHAF CC[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)N(C)Cc2ccccc2)C1=O 20684235 ASJZNFKPBIHXSB-KRWDZBQOSA-N 372.852 3.503 0 1 FHAF CC(=O)Oc1cc(O)c2c(c1)C=CCCCC(=O)CCC[C@@H](C)OC2=O 2356430053 CTKJAUGEWDLMLQ-CYBMUJFWSA-N 360.406 3.799 0 1 FHAF CC1(C)Oc2cc(O)cc(O)c2N=C1c1ccc(O)c(Br)c1 26392428 OGSCAUAIMGNCAJ-UHFFFAOYSA-N 364.195 3.858 0 1 FHAF COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1CCc1ccccc1 66136330 DJQPHNCLBJCIAF-LJQANCHMSA-N 364.445 3.660 0 1 FHAF CC(=O)O[C@@]1(c2ccccc2)C(=O)Nc2ccc(-c3c(C)noc3C)cc21 219549587 YJUUYNSHQAXQKU-OAQYLSRUSA-N 362.385 3.717 0 1 FHAF CCc1cc2c(cc1-c1cc3ccc(OC)c(OC)c3c(=O)n1C)OCO2 38825145 OJIIXHODERBMOC-UHFFFAOYSA-N 367.401 3.514 0 1 FHAF COc1cc(N2C(=O)c3cccc4cccc(c34)C2=O)cc(OC)c1OC 71331210 IJCJOPTZJRPDFW-UHFFFAOYSA-N 363.369 3.666 0 1 FHAF CC[C@H](C)[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1 36351245 DLSQXSJVRSSPFW-ZYSHUDEJSA-N 365.949 3.574 0 1 FHAF CN(C)[C@@H]1CCN(C(=O)c2csc(-c3cccc(Cl)c3Cl)n2)C1 84690327 NCDJTMFLWMGNJQ-SNVBAGLBSA-N 370.305 3.893 0 1 FHAF Nc1ccccc1NC(=O)c1ccc(NCC(=O)Nc2ccccc2)cc1 84704667 OSYKXPVXPZSKPO-UHFFFAOYSA-N 360.417 3.572 0 1 FHAF Cc1ccsc1-c1n[nH]c2c1Cc1cc(CN3CCN(C)CC3)ccc1-2 40566855 LGDZWVPUBVWACV-UHFFFAOYSA-N 364.518 3.765 0 1 FHAF C[C@@H](Oc1ccccc1)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1 40421392 DIPASAAPTXFVNF-VQIMIIECSA-N 372.896 3.888 0 1 FHAF CC(C)(C)c1cc(NCc2ccncc2)n2ncc(Br)c2n1 96176123 AXTMWNUGUQHTGO-UHFFFAOYSA-N 360.259 3.796 0 1 FHAF COc1cc(-c2nc(-c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1 96911121 KUOHWTCUNBPJRP-UHFFFAOYSA-N 363.396 3.791 0 1 FHAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C/C(=O)O)[C@H](C)[C@@H]3C(=O)C[C@@H]12 238778001 LXJSFBJEYLPDJS-ROUOTMJPSA-N 362.466 3.618 0 1 FHAF Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCNCC3)cc2)cc1F 473094023 VAMWJMVATUYTLB-UHFFFAOYSA-N 367.399 3.809 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2CC2CC2)N1 587755596 BAQHMVKPKVNOBQ-DYZYQPBXSA-N 364.262 3.818 0 1 FHAF Cc1cncc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 587173607 XTSLGRSJCKRQSI-UHFFFAOYSA-N 352.344 3.861 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cncc(C)c3[nH]2)cc1 587041079 VQFBRBXLSTULNN-MRXNPFEDSA-N 368.462 3.553 0 1 FHAF FC(F)(F)Oc1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587117416 CDBXGDUVIAKCQK-UHFFFAOYSA-N 364.249 3.920 0 1 FHAF CCOc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1OCC 587652354 PNVTVFYMVKKZTM-UHFFFAOYSA-N 372.808 3.536 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn3nccc23)N1 587792444 HPJIXPPPXRJLQX-BMLIUANNSA-N 360.230 3.860 0 1 FHAF Oc1c(Br)ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 587089164 YTPOGHNJPJGLOY-SSDOTTSWSA-N 358.186 3.781 0 1 FHAF Cc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587776080 WCVPSRGQBSFCDM-ZKANADHPSA-N 353.235 3.991 0 1 FHAF Oc1cc(-c2cccc(F)c2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587944513 AJHBAPUXYAPQLG-UHFFFAOYSA-N 354.316 3.619 0 1 FHAF COc1ccc2oc([C@]3(C)N[C@H](C(=O)O)Cc4cc(F)ccc43)c(C)c2c1 962915283 BNPXTHZFUWKOBV-LAUBAEHRSA-N 369.392 3.751 0 1 FHAF Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)nc3ccnn23)cc1 113880495 QATSKJGOEJTRPS-SFHVURJKSA-N 353.422 3.954 0 1 FHAF CC(C)NC(=O)c1cccnc1Nc1nc(-c2ccccc2)cc2nccn12 1772582639 ZSPFRZKHDHAJBD-UHFFFAOYSA-N 372.432 3.673 0 1 FHAF N=C1Oc2cc(O)ccc2[C@@H](c2cccnc2)[C@@H]1C(=O)OCc1ccccc1 169730710 VCIKTXLHLBGWRT-UXHICEINSA-N 374.396 3.648 0 1 FHAF OCCCCN1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1 1857552015 NNTSGVWDVGTNCJ-UHFFFAOYSA-N 351.450 3.842 0 1 FHAF COc1ccc(-c2cn(C)nc2-c2cc(OC)c(OC)c(OC)c2)cc1 1857772469 ZCAIWKWTVRGYEX-UHFFFAOYSA-N 354.406 3.789 0 1 FHAF COc1ccc(NC(=O)CSc2cn(C)c3ccccc23)c(OC)c1 3581746 HNXIFGXHWYOFRO-UHFFFAOYSA-N 356.447 3.926 0 1 FHAF CCCn1nnc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)n1 3590233 UXIQRTTZFTZURF-UHFFFAOYSA-N 355.442 3.675 0 1 FHAF COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)O)cc1 4617889 VIBPEGKTQCWOSK-UHFFFAOYSA-N 360.753 3.515 0 1 FHAF Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2c(ccc3nc[nH]c32)n1 52753763 VLBVPZGZVHNXFH-UHFFFAOYSA-N 372.476 3.915 0 1 FHAF O=C(CCSc1nnc(-c2cccnc2)o1)Nc1ccc(Cl)cc1 59133740 ZPGYGLXDPBGWDV-UHFFFAOYSA-N 360.826 3.906 0 1 FHAF C[C@@H]1CC(=O)c2c(SCc3cn[nH]n3)ccc(-c3nccs3)c2C1 26726500 SFQDQVWLPSONMD-JTQLQIEISA-N 356.476 3.986 0 1 FHAF CCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)O)C[C@@H]21 27727112 HURUIFWOZRKQNO-DWLLSEBSSA-N 366.498 3.799 0 1 FHAF COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc4occc4c3O[C@H]1CO2 3203025 KPSZGBRARBOMHQ-ZWKOTPCHSA-N 352.342 3.570 0 1 FHAF biogenic C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=C/C(=O)O)CC[C@]12O 84632029 CKAGCVSEDGEEFY-INMSYKOUSA-N 362.510 3.762 0 1 FHAF CC(C)c1ccccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 95565565 AEOCBJXABOEXBN-UHFFFAOYSA-N 374.843 3.978 0 1 FHAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(C)(C)c4ccccc43)cccc21 145714801 FPOXFIMERPHVPQ-QGZVFWFLSA-N 364.449 3.890 0 1 FHAF O=c1oc2cc(Br)ccc2n1CCCN1Cc2ccccc2C1 299861277 IDCBZHVQOHYLGK-UHFFFAOYSA-N 373.250 3.763 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)C[C@H]2C)N1 587828141 RSKAXNVKBAESGF-QALDDWHKSA-N 370.262 3.839 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)c2ccc(F)cc21 587472849 WCNYFBMWMJNXFQ-NRFANRHFSA-N 369.392 3.711 0 1 FHAF CN1CCN(c2ccc3nc([C@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)CC1 587163577 RRHIMXKSDMZFAD-ROUUACIJSA-N 350.441 3.725 0 1 FHAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)n1 587518668 MZNIOLDYIOLJSD-OAQYLSRUSA-N 353.418 3.858 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc2c(c1)OCO2 587870619 NIHFPPVLATWLPZ-UHFFFAOYSA-N 368.364 3.700 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1O 587611887 UMNQYMUROWIOLH-PXNSSMCTSA-N 350.326 3.506 0 1 FHAF Cc1c(-c2nc3cc(Cl)cnc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074728 WMMRAUUJEIYXQO-UHFFFAOYSA-N 359.220 3.880 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=N)N)c1)CC2=O 587468265 CYZVYMGWIGQASA-FQEVSTJZSA-N 353.422 3.531 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)oc12 586903737 MBKJIBAMYQFQCB-UHFFFAOYSA-N 350.330 3.568 0 1 FHAF CCCn1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587760013 NQKMWHKNCYMATF-MGPLVRAMSA-N 352.251 3.818 0 1 FHAF CC[C@@]1(c2ccc(OC(=O)OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587398204 DBWXFKSYAZJERJ-FQEVSTJZSA-N 355.390 3.993 0 1 FHAF COC(=O)[C@@H]1[C@H](C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587803733 BSYMAPOQMJTFMW-JRUYNEJOSA-N 370.262 3.537 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)CC(C)C)cc1)O2 587409121 PTYSBYYBLFLLAC-LJQANCHMSA-N 373.474 3.713 0 1 FHAF O=C1C[C@@H](c2ncc(Br)cn2)Oc2c1ccc1c2CCCC1 587497945 NHOIHJFCWZRKCB-HNNXBMFYSA-N 359.223 3.824 0 1 FHAF CCOC(=O)N1CCC2(CC1)NCCc1cccc(-c3ccccc3)c12 962666509 KBIAHPYJAXDZIT-UHFFFAOYSA-N 350.462 3.947 0 1 FHAF COc1cc2c(cc1OC)[C@H](C[C@@H](C)C(=O)OC(C)(C)C)N(C)[C@H](C)C2 962618853 DZGVXBSBKHPAAJ-CPUCHLNUSA-N 363.498 3.989 0 1 FHAF CNC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](OC(C)=O)[C@H]21 1857639417 KRSCRCVZINDNJM-UGESXGAOSA-N 369.461 3.731 0 1 FHAF Cc1ccc(C2=C(c3ccc(Br)cc3)C(=O)O[C@@H]2CO)cc1 1857770404 QHGCEYUQDUSLBE-OAHLLOKOSA-N 359.219 3.586 0 1 FHAF CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)cc1 769125 WTBOOQPNLXSUKP-PKOBYXMFSA-N 372.852 3.919 0 1 FHAF CCSc1nc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 1231060 RYRKPJPYEFPGCM-FHYCKABGSA-N 356.472 3.720 0 1 FHAF CC1(C)C=Cc2c(c(O)cc3c2OC[C@H]2c4ccc5c(c4O[C@H]32)OCO5)O1 2356333834 XBRRZWFABQTPSY-SUMWQHHRSA-N 366.369 3.915 0 1 FHAF CCNC(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 28568693 DGCNLEJTGGXFLE-FQDUKEJRSA-N 355.478 3.570 0 1 FHAF in-vivo CCC(CC)(c1ccc(O)c(C)c1)c1ccc(NC[C@H](O)CO)c(C)c1 28528643 VXMXALMEFVSYCQ-IBGZPJMESA-N 357.494 3.880 0 1 FHAF O=C(O)C[C@@H]1[C@@H]2C=C[C@@H]3[C@H](c4ccc5c(c4)OCO5)C=C[C@@H]4C[C@@H]1[C@H]2[C@@H]43 2356506059 ABOYVNQPUIGLSV-CZGQUPFCSA-N 350.414 3.844 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc([C@H](C)N(C)C)cc1)C2 28124594 RHJZVHBZRMYJOI-RNODOKPDSA-N 355.434 3.513 0 1 FHAF COCCNC(=O)[C@]1(C)CCCN(Cc2ccc(C)c3ccccc23)C1 61908511 YEDHLYRTNMJICD-JOCHJYFZSA-N 354.494 3.513 0 3 FHAF CN1C(=O)c2cccc(CNc3ccc(C(=O)c4ccccc4)cc3)c2C1=O 72112292 ZTALTEOKMBJIJS-UHFFFAOYSA-N 370.408 3.756 0 1 FHAF CCc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(OC)c1OC 71280584 HVRTZAHLKAYPGW-LJQANCHMSA-N 366.461 3.991 0 1 FHAF COc1ccc(/C=C2\CO[C@@H](c3cc(OC)cc(OC)c3)[C@@H]2C(=O)O)cc1 49070773 SUVKPLCUUSSDHW-LVSFSLPKSA-N 370.401 3.568 0 1 FHAF CC(C)N1CCC[C@@H](c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1 49070865 QTONZRQJLGKQRC-QGZVFWFLSA-N 362.477 3.917 0 1 FHAF NC(=O)c1c(F)ccc(OCc2nc3cccc(Cl)c3s2)c1F 49114557 LGOSANGMAUVFOY-UHFFFAOYSA-N 354.765 3.906 0 1 FHAF CCCCNC(=O)[C@@H](C)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82083512 AEMLFGYMFXCGNY-CQSZACIVSA-N 365.433 3.529 0 1 FHAF Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCC[C@H]4CCCC[C@@H]43)nc21 198482591 OHQZQEGFDROPEO-CVEARBPZSA-N 356.514 3.940 0 1 FHAF CCn1c(=O)oc2ccc(Cc3cncc4cc(OC)c(OC)cc34)cc21 148607944 UUCITPRSKBBIPA-UHFFFAOYSA-N 364.401 3.771 0 1 FHAF O=C(O)c1ccc(-c2cn(-c3cncc4ccc(Cl)cc34)nn2)cc1 2382218932 HYYUDGHBRQEGOQ-UHFFFAOYSA-N 350.765 3.834 0 1 FHAF COc1ccc(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1OC 587873664 JZARDORSOSILDM-UHFFFAOYSA-N 354.337 3.695 0 1 FHAF CC(C)(C)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2n1 587228629 VGRWQWPGMUVWOQ-UHFFFAOYSA-N 352.438 3.724 0 1 FHAF C[C@]1(c2ccncn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347111 OHSQENVXLZXUBS-AZUAARDMSA-N 350.349 3.596 0 1 FHAF CCc1ccc(Nc2ncc(-c3ccc4c(O)nc(O)nc4n3)s2)cc1 587564497 TZDPSJRUIRXABH-UHFFFAOYSA-N 365.418 3.866 0 1 FHAF CCOC(=O)c1c(N)sc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587410804 PUXZVFCHVFJOAK-LJQANCHMSA-N 374.462 3.587 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCCN(Cc4ccccc4)C1)[C@@H](C2)C3=O 587445320 UWMXUUCRKNDELM-CVDCTZTESA-N 363.457 3.868 0 1 FHAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cccnc3[nH]2)c1 587156419 NJBPLDJHDCHQKG-UHFFFAOYSA-N 368.393 3.565 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1O[C@@H](C)C(=O)O)CC2=O 587487553 WDHVNCOXIXDNKV-BUXKBTBVSA-N 370.401 3.903 0 1 FHAF Cc1csc([C@@](O)(Cc2nc3c(C)ccc(C)c3[nH]2)C(F)(F)F)n1 587094712 UAUDJTMTNBOFQK-HNNXBMFYSA-N 355.385 3.937 0 1 FHAF CC[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334589 FNWYKVOXPZQVPJ-PZJWPPBQSA-N 364.376 3.986 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@H](c2cc(O)ccc2Cl)N1)C(F)(F)F 962764293 LGESXPRJNMDIPD-HUUCEWRRSA-N 355.743 3.781 0 1 FHAF CN1CCc2c(Br)cccc2[C@@H]1c1cccn(C(F)F)c1=O 963288435 AYPHROCHMLDFDM-CQSZACIVSA-N 369.209 3.583 0 1 FHAF N=C(N)c1ccc(-c2nc3cc(C(=N)N)ccc3n2C2CCCCC2)cc1 1772578844 BXTFKYKVXCMMCY-UHFFFAOYSA-N 360.465 3.777 0 1 FHAF O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCCCCC1 13594001 HULSBULGPLDAJB-UHFFFAOYSA-N 351.406 3.818 0 3 FHAF Cc1nc2cc(-n3ncc(C(=O)c4cc5c(C)cccc5[nH]4)c3N)ccc2[nH]1 150021394 BWALYWIIRRRSEU-UHFFFAOYSA-N 370.416 3.660 0 1 FHAF CCCCCC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)CCCCC)C[C@@H]1N2C 169351520 AZSYRDPIBWFYBO-BDXSIMOUSA-N 353.503 3.837 0 1 FHAF O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[N@]1S(=O)(=O)c1ccccc1 1857624201 VYYHECSZIFMLKM-ONTIZHBOSA-N 363.438 3.684 0 1 FHAF O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Nc1nccs1 1857631704 GGNXTJLCFXBDDS-UHFFFAOYSA-N 374.219 3.682 0 1 FHAF CN(C)C(=O)c1ccc(Nc2nccc(N(C)C3CCCCC3)n2)cc1 1911574401 XCOJWYMCLNBWGL-UHFFFAOYSA-N 353.470 3.691 0 1 FHAF Cc1ccc(-c2nnc(NS(=O)(=O)c3cccc(Cl)c3)s2)cc1 103299508 URLLJVKDEDRWTQ-UHFFFAOYSA-N 365.867 3.968 0 1 FHAF CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 101616583 JWWUOGUVVBAIEL-GROYHEBESA-N 372.425 3.577 0 1 FHAF CSCC[C@H](C(=O)N(C)C[C@H]1CCCN2CCCC[C@H]12)n1cccc1 2356721121 UYJSQYYIKGZWCA-GUDVDZBRSA-N 363.571 3.505 0 1 FHAF CC1=C[C@H](CNC2CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356875350 ZPALJZANJMAWRT-JZXOWHBKSA-N 369.513 3.619 0 1 FHAF Cc1ncc([C@H](CNC(=O)c2c(F)cccc2Cl)c2ccncc2)cn1 217373305 XXMSRMYYFQGTNN-OAHLLOKOSA-N 370.815 3.534 0 1 FHAF CCCCCC[C@@H](C[C@@H](O)CCc1ccc(O)c(OC)c1)OC(C)=O 15257021 SNEXTXLRTJGYIH-ROUUACIJSA-N 352.471 3.987 0 1 FHAF biogenic CCOC(=O)c1cc2c(nc1O)-c1cnn(-c3ccc(Cl)cc3)c1CC2 473082514 JGCCVOUQGDHDQI-UHFFFAOYSA-N 369.808 3.569 0 1 FHAF FC(F)(F)Oc1cccc2nc(CSc3nnc(S)s3)[nH]c12 587025934 SZLINXLMQXADCV-UHFFFAOYSA-N 364.399 3.894 0 1 FHAF Cc1nc2cccc3c2c(c1CCCN1C(=O)c2ccccc2C1=O)CC3 587213559 XMSGCKYUIGEMNV-UHFFFAOYSA-N 356.425 3.871 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ncn2)N1 587703919 IBLMKDBCBLWHGZ-AYVTZFPOSA-N 370.653 3.829 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C)c(OC)cc3[nH]2)cc1 586939105 NBFQXTSWSVOANO-CYBMUJFWSA-N 373.478 3.624 0 1 FHAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1N 587579746 OYDXPJHOPCBPHL-UTKZUKDTSA-N 363.369 3.686 0 1 FHAF Cc1nn(C)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587753218 AIXSJAKIITZLJN-BCTVWOGZSA-N 352.251 3.562 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnc(CC(F)(F)F)s1)[C@@H](C2)C3=O 587419680 HSYYUMQYDKTTQS-VFZGTOFNSA-N 355.337 3.745 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)cc(C)cc21 587484956 OXBPNYQAOQVUKR-NRFANRHFSA-N 351.402 3.774 0 1 FHAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccnc(OC)c2[nH]1 587044685 OIXUFSNACKSVAU-UHFFFAOYSA-N 354.193 3.958 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc4cc(NC(C)=O)ccc4n1)[C@@H](C2)C3=O 587433721 VCHAUJFKJBGFIN-AOMKIAJQSA-N 374.396 3.691 0 1 FHAF C[C@]1(c2cccc(CO)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611293 RZPLTJPMPLKIKN-SIKLNZKXSA-N 362.381 3.762 0 1 FHAF COC(=O)c1cccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c12 587233202 KQGVDRWFJHMYHL-AAEUAGOBSA-N 359.426 3.510 0 1 FHAF O=C(Cc1cc2c(O)nc(O)nc2nc1-c1ccccc1)c1ccccc1 587561592 RYPXAQLRPMPLSH-UHFFFAOYSA-N 357.369 3.528 0 1 FHAF COC(=O)c1cc2[nH]c(-c3cccc4c3OCC4(C)C)nc2cc1OC 586912778 VQHGYIRNSZUSSF-UHFFFAOYSA-N 352.390 3.695 0 1 FHAF Cc1cnn(CCF)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558862 XTVPWQZRXFKKCO-OXJNMPFZSA-N 368.364 3.570 0 1 FHAF C[C@]1(Cc2ncccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333307 CIZHXCKVOVHIBD-PZJWPPBQSA-N 364.376 3.682 0 1 FHAF FC(F)(F)[C@H]1C[C@@H]1c1nc2ccc(I)cc2[nH]1 587092369 FIKQOQVHFZNCPV-BQBZGAKWSA-N 352.097 3.833 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(C(F)F)n2)N1 587716397 IYNVNSIVUUHTBW-WPPNPWJKSA-N 360.177 3.803 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cccc2nc(N)oc12 962368394 AQRHEWSMKHIUIL-GOSISDBHSA-N 364.474 3.958 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cnc3ccccc3c1Cl)NCC2 962933254 TZUPMQBZISAGHC-HXUWFJFHSA-N 365.864 3.825 0 1 FHAF COc1ccc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)cc1OC 13679234 VVMYJVKNHBSETM-UHFFFAOYSA-N 364.405 3.863 0 1 FHAF Nc1nc(=O)n(CCCOc2ccccc2)cc1-c1ccc(Cl)cc1 169335270 BNVYNVYZDFXNPD-UHFFFAOYSA-N 355.825 3.615 0 1 FHAF Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)[C@@H](N)CCCCN 1655285 KMASFEAQNUWDOK-HNNXBMFYSA-N 368.506 3.667 0 1 FHAF Cc1ccncc1-c1nn(C2CC2)c2nc(OCc3ccccn3)cnc12 103262425 ASEXGBOOLPFOOK-UHFFFAOYSA-N 358.405 3.506 0 1 FHAF COc1ccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)cc1 28871898 FMQITWDRHSUYEG-UHFFFAOYSA-N 372.425 3.554 0 1 FHAF Cc1nc2cc(C(C)C)c(-c3cccc(OCCN(C)C)c3)cc2c(=O)[nH]1 28567624 LVLMFBPPCOVTEX-UHFFFAOYSA-N 365.477 3.962 0 1 FHAF C[C@H](NC(=O)/C=C/c1ccccc1F)c1cccc(N2CCOCC2)c1 26727840 YRTVNUZSLQLJAB-SCOAYWHSSA-N 354.425 3.553 0 1 FHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@@H]1C(C)(C)CCC[C@@]1(O)C2 14758671 GNVMHDPNRQZLBQ-SPLOXXLWSA-N 362.466 3.916 0 1 FHAF biogenic CNC[C@@H](O)[C@H](c1cccc(Br)c1)n1ccc2ccccc21 34600388 PHMNKJGYIDQICY-MSOLQXFVSA-N 359.267 3.574 0 1 FHAF COc1cc(C(F)(F)F)cc2c1nnc1c(C)nc(-c3cnccc3C)n12 84729668 BJZXDRJWGJFCMN-UHFFFAOYSA-N 373.338 3.984 0 1 FHAF NC(=O)[C@@H](N)Cc1c(-c2ccc(Oc3ccccc3)cc2)[nH]c2ccccc12 199115635 MLDDGJWFQVMDBJ-FQEVSTJZSA-N 371.440 3.982 0 1 FHAF CC[C@H]1C[C@H]2CN3Cc4c([nH]c5ccc(OC)cc45)[C@](OC(C)=O)(C2)[C@H]1C3 238757381 VOXIUXZAOFEFBL-YARHRQRXSA-N 368.477 3.817 0 1 FHAF O=C(CNc1cc(F)cc(F)c1)Nc1nc2ccc3[nH]ncc3c2s1 142264299 QJJRBISFKISAQG-UHFFFAOYSA-N 359.361 3.501 0 1 FHAF COc1cccc([C@@H]2N(c3cccc(Cl)c3)C(=O)[C@@H]3CCCN32)c1OC 250388685 AOBJLLIVAWTGBS-LPHOPBHVSA-N 372.852 3.867 0 3 FHAF CN(C)[C@H]1CC[C@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 261187058 XUFLBSMTYMFOQH-JOCQHMNTSA-N 370.888 3.958 0 1 FHAF COCCC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 653794409 KRKXHFQSPDAJQT-JAXLGGSGSA-N 360.494 3.915 0 1 FHAF O=C(Cc1nc2cc(Br)c(F)cc2[nH]1)OCc1ccccc1 587781038 BYRHFNQJWOCKEA-UHFFFAOYSA-N 363.186 3.750 0 1 FHAF COC(=O)c1cc2[nH]c(CCCCc3cccc(O)c3)nc2cc1OC 586896807 YRIXHGLRPQJMHP-UHFFFAOYSA-N 354.406 3.629 0 1 FHAF C[C@]1(c2ccc(F)cc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566997 DIPWWMSFIITJQD-GHTZIAJQSA-N 365.360 3.991 0 1 FHAF CC[C@@]1(c2nccn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587752799 GFBLZYHZGGYIPM-MGPLVRAMSA-N 352.251 3.510 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(C(=O)OC)cc31)CC2=O 587484083 XRXGCKHAYSPQIS-JOCHJYFZSA-N 366.413 3.938 0 1 FHAF CCOC(=O)C[C@@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587530510 CSZYUPOOIGAWQW-JOCHJYFZSA-N 372.461 3.649 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(Cn1ccc(C(F)(F)F)n1)CC2=O 587463433 AEDUARGMRNNAKF-KRWDZBQOSA-N 368.355 3.984 0 1 FHAF CCCc1nc(-c2nc3c(C(=O)O)cccc3[nH]2)nn1-c1ccccc1F 587156657 PPMCSZRZMCZOMC-UHFFFAOYSA-N 365.368 3.600 0 1 FHAF COC(=O)[C@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1(C)C 586992742 SUIYTQXDHCZNSJ-GOSISDBHSA-N 359.381 3.700 0 1 FHAF COCCn1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757935 WEYHGTYHNGGCFI-GTNSWQLSSA-N 367.262 3.660 0 1 FHAF CC[C@@]1(c2ccc(OC(C)=O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441014 DNDQAXORHCMLRK-UTKZUKDTSA-N 352.386 3.673 0 1 FHAF O=C(O)c1cccnc1SCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 586967220 QTYPLDBHRWESHO-UHFFFAOYSA-N 357.288 3.505 0 1 FHAF O=C1CC=C(c2nc3cc(Cl)c(F)cc3[nH]2)NN1Cc1ccc(F)cc1 587163916 OTECACQYNZEFDQ-UHFFFAOYSA-N 374.778 3.773 0 1 FHAF CN1CCN(c2ccc3nc([C@@H]4Cc5ccccc5S4)[nH]c3c2)CC1 587041343 NALIQTZIHXAJAI-IBGZPJMESA-N 350.491 3.704 0 1 FHAF COc1c(F)cc(-c2nc3c(C)c(Br)cnc3[nH]2)cc1F 587134561 JOKCJAMMXXSWJR-UHFFFAOYSA-N 354.154 3.983 0 1 FHAF CC(C)(C)OC(=O)N1CC[C@@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518009 YTAJGQYYVMCUFA-AEFFLSMTSA-N 357.450 3.909 0 1 FHAF COc1cc2c(cc1OC)[C@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587404547 XTJKVYCHKAJSKZ-NRFANRHFSA-N 353.418 3.791 0 1 FHAF COc1cc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cnc1OC 962720929 XSFAUOXLNPSRTR-AUUYWEPGSA-N 374.481 3.691 0 1 FHAF COC(=O)c1csc([C@]2(C)NCCc3c(OC)ccc(Cl)c32)c1 963269052 DVQMKUPEMQKLDR-KRWDZBQOSA-N 351.855 3.606 0 1 FHAF CCOCCC[C@]1(c2ccc(F)cc2)NCCc2c1c(C(C)C)nn2C 962916883 XOFUYDKYTHKCJA-OAQYLSRUSA-N 359.489 3.889 0 1 FHAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccc(O)cc1 13475363 KSUABKWXHGYUQL-SFHVURJKSA-N 373.493 3.670 0 1 FHAF CN(C)c1ccccc1C[S@@](=O)c1nc2c(n1-c1ccccc1)CCC2 13746034 BCROKYQFZXPJQN-SANMLTNESA-N 365.502 3.735 0 1 FHAF Cc1ccc(-c2cnc(N)c(-c3ccc(C(=O)NCCN(C)C)cc3)c2)cc1 1857584455 AGMWTFFKOVZULU-UHFFFAOYSA-N 374.488 3.598 0 1 FHAF Cc1ccsc1/C=C1\CC[C@@H]2[C@H]3CCCN4CCC[C@H](CN2C1=O)[C@@H]34 1857766777 AXVSYNASYGFVII-HNABVMKGSA-N 356.535 3.935 0 1 FHAF CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 4894451 PMPIQEYAOKVCRV-KUHUBIRLSA-N 370.880 3.994 0 1 FHAF COc1cc2oc(=O)cc(-c3cccc4[nH]ccc34)c2c(OC)c1OC 101625080 DYFQFGYGDZVNCM-UHFFFAOYSA-N 351.358 3.967 0 1 FHAF COc1ccccc1CN1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccnc2)cc1 100107646 FUVVHTHCAJYJCG-ACHVPNTGSA-N 371.484 3.697 0 1 FHAF O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccccc3O)c2o1 118278966 AULKCNUFUPZRCK-SFHVURJKSA-N 362.429 3.629 0 1 FHAF Cc1noc(/C=C/c2ccccc2OC[C@@H](O)CNC(C)(C)C)c1Cl 29231939 HAZKYCLAXFAVDK-FEAKQIBJSA-N 364.873 3.935 0 1 FHAF CCc1cccc2nc([C@H](C)NC(=O)OCc3ccccc3)oc(=O)c12 26501917 MMPHAWFDIDMSIY-ZDUSSCGKSA-N 352.390 3.738 0 1 FHAF O=C(N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1ccc(F)cc1 199714494 RWOXHPAYMKPCEO-SFHVURJKSA-N 374.843 3.790 0 3 FHAF O=C(Nc1ccc(F)cc1)c1csc([C@H](O)Cc2ccc(F)cc2)n1 82078889 UGMNGPHYDVPKBE-MRXNPFEDSA-N 360.385 3.950 0 1 FHAF C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCC1=CCCCC1 82082987 JVGCABOUBFGVQS-ZDUSSCGKSA-N 373.478 3.528 0 1 FHAF FC(F)(F)c1cnc(Nc2ccc([C@H]3CNCCO3)cc2Cl)nc1 149998442 FQWDUIMJRSIUPC-CYBMUJFWSA-N 358.751 3.553 0 1 FHAF Cc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(oc12)CCNC3 147544662 AKANYWHFBKMYIN-UHFFFAOYSA-N 361.850 3.873 0 1 FHAF C/C=C(/CO)[C@H]1O[C@H]2C(C)=C[C@@](C)(/C=C/C(=O)O)[C@H]3C(C)=C[C@]1(C)[C@@]23C 238742668 TUUPJUMTPYTGPG-WMDVRRGISA-N 358.478 3.888 0 1 FHAF O=C(Nc1ccc(F)cc1Cl)c1ccn(C(=O)Cc2ccccc2)n1 473091421 XMSCHJMLGUGXLK-UHFFFAOYSA-N 357.772 3.811 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(CC(=O)OC)s1)CC2=O 587493426 HFLCYOQXEPODIF-INIZCTEOSA-N 360.431 3.828 0 1 FHAF COc1cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2cc1OC 587109457 QBUJRVIWBVZUHC-UHFFFAOYSA-N 366.295 3.964 0 1 FHAF O=C(O)c1cccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005035 JZWJPUMIAYKJBD-UHFFFAOYSA-N 352.575 3.739 0 1 FHAF CCOC(=O)C(C)(C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587796549 LFYFHYTWFNMXAS-BMLIUANNSA-N 372.278 3.927 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(O)c2)N1 587833817 PKRJDYJOAXPDFR-PWJLMRLQSA-N 352.203 3.623 0 1 FHAF CCO/C=C\[C@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557209 QQHSESMTRWAYSO-GRKKZTARSA-N 362.328 3.908 0 1 FHAF C[C@]1(c2cc(Cl)ncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553161 UCXOYBGAECKCDK-VQIMIIECSA-N 368.776 3.713 0 1 FHAF Nc1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570942 MUDSNZGIGVQFFS-XLIONFOSSA-N 351.333 3.816 0 1 FHAF CC[C@@H](C)c1ccc2[nH]c(-c3cn(C)nc3C)c(C(=O)C(=O)OC)c2c1 587642576 MTELNJBREOKYCU-LLVKDONJSA-N 353.422 3.746 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC(c1ccc(N)cc1)(c1ccc(N)cc1)O2 587391088 RURHAMCZZWONAF-UHFFFAOYSA-N 359.429 3.651 0 1 FHAF N[C@H](Cc1nc2ccnc(Cl)c2[nH]1)c1ccc(Br)cc1 586996680 JHDFPZUOOIPJJD-SNVBAGLBSA-N 351.635 3.616 0 1 FHAF Nc1ccc(-c2ccc3nc([C@@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)cc1N 587158888 YPLDLQRIDMJLBO-OYHNWAKOSA-N 373.435 3.875 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cn2)N1 587736496 WDOKBPSZTWOXII-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(OC)ccc31)CC2=O 587492560 RDDLAVDCIHKZEF-NRFANRHFSA-N 354.402 3.997 0 1 FHAF Cc1cncc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587002365 KEFVQTFTCXWTMT-UHFFFAOYSA-N 356.227 3.621 0 1 FHAF C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C)CN1C 587342480 DYHHJLDAQXTLRW-WNSHACJQSA-N 369.436 3.989 0 1 FHAF Brc1c[nH]c2nccc(-c3nc4cc5c(cc4[nH]3)OCO5)c12 587001922 AWLSRTGJJSPGQB-UHFFFAOYSA-N 357.167 3.597 0 1 FHAF Cc1cc2nc(-c3nccnc3I)[nH]c2cc1Cl 587186751 RUMBLOVCLMJVIN-UHFFFAOYSA-N 370.581 3.586 0 1 FHAF O=C1CCC[C@@H](c2nc3ccc(I)cc3[nH]2)CC1 586885225 YYJGIWVIDWYZRR-SECBINFHSA-N 354.191 3.784 0 1 FHAF COc1cc(OC)c([C@@]2(C)NCCc3c2sc(C)c3C)cc1C(C)=O 963011193 OIICIDRZRRFWJD-HXUWFJFHSA-N 359.491 3.994 0 1 FHAF C/C1=C/CC/C(=C/Cc2cc(O)ccc2O)C(=O)OC(C)(C)[C@H](O)CC1 1772600346 ZTMOTIPXGPJJIE-QVLUEJROSA-N 360.450 3.770 0 1 FHAF COc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCO3)ccc1-c1cn[nH]c1 1772589468 QBWKZDBFMHLSHV-CYBMUJFWSA-N 363.417 3.511 0 1 FHAF CC[C@@H](N[C@H](C)CO)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 1772657618 AMNLKVFPQJHGHN-IAQYHMDHSA-N 350.821 3.527 0 1 FHAF Cc1ccccc1C(=O)c1cccn1CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 5143031 YMIPNUDRJYQQSJ-AYBZRNKSSA-N 352.478 3.968 0 1 FHAF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]3CC[C@@H]12 169323099 YJVVSONFMRLWTH-WUNDISSQSA-N 359.510 3.926 0 1 FHAF CC(C)NC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169370104 VOEVWWDYQIDNFO-MALBYCMTSA-N 374.569 3.991 0 1 FHAF OCCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610392 MAZZBGKHYOJFSH-UHFFFAOYSA-N 364.449 3.697 0 1 FHAF COc1ccc(C[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1OC 22459520 RUHWVLHBRRIXHH-FQEVSTJZSA-N 354.494 3.543 0 1 FHAF COc1cc(C[C@@H]2NCCc3c2[nH]c2ccc(C)cc32)cc(N)c1OC 26674429 NORNTMDYRGYQNW-SFHVURJKSA-N 351.450 3.505 0 1 FHAF Clc1ccc2[nH]c(-c3ccccc3OCCN3CCOCC3)nc2c1 43014799 MZHURQVVESEPOD-UHFFFAOYSA-N 357.841 3.594 0 1 FHAF COC(=O)[C@@]1(c2ccc(O)cc2)Nc2ccccc2-c2ccnc3[nH]cc1c23 45336571 MREYIJBXTKVWBW-QFIPXVFZSA-N 371.396 3.778 0 1 FHAF CSc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1 45348619 JOPRHYVSMBOIOB-UHFFFAOYSA-N 362.458 3.723 0 1 FHAF CC(C)c1ccc([C@@H]2SCCC(=O)N2NC(=O)c2ccncc2)cc1 84635732 PHONIEHIUTYPDE-IBGZPJMESA-N 355.463 3.514 0 1 FHAF COP(=O)(OC)[C@H](C)OC(=O)COc1ccc(Cl)cc1Cl 90556596 UUHXXNQVWVFJLW-MRVPVSSYSA-N 357.126 3.747 0 1 FHAF C[C@H]1c2[nH]c3cccc(-c4ccccc4)c3c2C[C@@H]2C(=O)N(C)C(=S)N12 95590922 MLTOODGBWXCGKX-YVEFUNNKSA-N 361.470 3.880 0 1 FHAF O=c1c(O)c(CNCc2ccccc2)ccn1Cc1ccc(Cl)cc1 96173249 SJYNBRCAAHWFJE-UHFFFAOYSA-N 354.837 3.545 0 1 FHAF CC(=O)N[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 102790687 YELINKLJALRIDI-XMMPIXPASA-N 365.842 3.759 0 1 FHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCF)[C@H](c1ccc(Br)cc1)C2 138898375 LEEXJBMYTWENTA-VGWMRTNUSA-N 370.262 3.528 0 1 FHAF Cc1csc2ncnc(N3CCC(COCC[C@H]4CCCN4C)CC3)c12 146531818 BQTKYNSJOZETJQ-QGZVFWFLSA-N 374.554 3.717 0 1 FHAF COc1ccc([C@H]2NC(=S)N=C3c4ccc(OC)cc4CC[C@@H]32)cc1 169691781 GJVVTFSEYJXNDO-QZTJIDSGSA-N 352.459 3.685 0 1 FHAF COc1cc2c(c(OC)c1OC)[C@@H](c1cc(Cl)ccc1F)NC(=O)N2 208133964 MSRQGOKANUJOMV-CQSZACIVSA-N 366.776 3.729 0 1 FHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(Cl)c3[nH]2)cc1 586940791 GCUYUODEDFBGCV-MDZDMXLPSA-N 361.854 3.615 0 1 FHAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586962170 OWWWMORWRPNJFG-YFKPBYRVSA-N 373.335 3.652 0 1 FHAF COc1ccc(-c2nc3c(C)ccnc3[nH]2)c(I)c1 587179954 JZRWIHVCFAHQSK-UHFFFAOYSA-N 365.174 3.547 0 1 FHAF CC(=O)c1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587197038 HCKPWIZVFVVGEK-OAHLLOKOSA-N 373.453 3.682 0 1 FHAF NC(=O)Nc1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 587243079 DNDKTDZFGHAJRI-UHFFFAOYSA-N 358.405 3.552 0 1 FHAF C[C@@H]1C(=O)[C@]2(C[C@H]1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355013 PLMNVTKMZYQRFX-NLKGAYOCSA-N 354.377 3.874 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(F)cc1F)O2 587385714 PJQORCNYSHSZLC-LJQANCHMSA-N 361.344 3.581 0 1 FHAF CCOC(=O)[C@H]1CCc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587401818 YXAPLCYDNXHZGE-VGOFRKELSA-N 365.429 3.563 0 1 FHAF CCOC(=O)c1ccc(C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440801 IFKAYQAUDZRHBR-VGOFRKELSA-N 366.413 3.621 0 1 FHAF CCOc1cc(OC)ccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444498 ZMIZDMLKANKZMM-IERDGZPVSA-N 354.402 3.765 0 1 FHAF CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526670 ZCWHHMWDCSJNLG-HTAPYJJXSA-N 370.445 3.592 0 1 FHAF CC(C)[C@@]1(c2nccn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578642 ROPONMVMPFIHAY-DYESRHJHSA-N 364.401 3.639 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnn1CC1CC1 587579638 FDHKKAWXYOGFSO-NQIIRXRSSA-N 362.385 3.702 0 1 FHAF O=C(O)c1ccsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612877 LBWCXXNNTMOUTO-YOEHRIQHSA-N 368.366 3.855 0 1 FHAF COc1ccc2c(C)cc(-n3ncc4ccc(Cl)cc4c3=O)nc2c1 587652719 GDNAMTKKYVIWSB-UHFFFAOYSA-N 351.793 3.904 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CC3(CC3)C2)N1 587818610 RMBMQRMCZHKGNY-DYZYQPBXSA-N 352.247 3.851 0 1 FHAF Cc1cc2ncn(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@H]34)c2cc1C 653793667 NPMDPIXHUDNEPJ-DHIUTWEWSA-N 374.488 3.619 0 1 FHAF O=C1CSc2ccccc2N1Cc1cn(Cc2ccc(Cl)cc2)nn1 653805877 XEMHHWPHFLJNCH-UHFFFAOYSA-N 370.865 3.619 0 1 FHAF Cc1ccc(F)cc1[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21 962925482 VCSPJOMPWXPYGN-WMLDXEAASA-N 371.305 3.678 0 1 FHAF O=C1[C@H](N2CCC[C@H](c3ccc(O)cc3)CC2)CCN1Cc1ccccc1 1772615147 NCAFFUYLUZFZJF-SIKLNZKXSA-N 364.489 3.763 0 1 FHAF COc1ccc(NC(=O)Cn2nc(C)c3c(C)c4ccccc4nc32)cc1 1772640471 CQCNIERJPRKYEK-UHFFFAOYSA-N 360.417 3.849 0 1 FHAF COc1cccc([C@@H](CCO)NC(=O)c2ccc(-c3ccncc3)cc2)c1 1857568732 TZXXWAVRQLLEQF-OAQYLSRUSA-N 362.429 3.611 0 1 FHAF O=C(Cn1cc(-c2ccccc2Cl)nn1)Nc1nc2ccccc2s1 1857607064 FVFOOOIJXXXDAR-UHFFFAOYSA-N 369.837 3.847 0 1 FHAF CCCCCC(=O)CCC=CC=CC=C[C@H](O)[C@H](O)CCCC(=O)O 2356284510 FPRPRBFSKMFXRV-RBUKOAKNSA-N 352.471 3.561 0 1 FHAF C[C@@H](O)C1(CNc2cc(Cl)nc(N)n2)CC(CCc2ccccc2)C1 1645739 GOUZDMVNRVLFRO-VZDIAYEVSA-N 360.889 3.534 0 1 FHAF O=C(NC1CCCCC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2455960 RXEQRFFNURHODU-YADHBBJMSA-N 374.484 3.972 0 1 FHAF O=C(c1cccc(F)c1)N1CCC2(CCCN(Cc3nccs3)C2)CC1 4238179 NOKRKVHGRBJJJA-UHFFFAOYSA-N 373.497 3.801 0 1 FHAF CCCN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 100970710 HZIYXEALEDKFGV-CALCHBBNSA-N 351.402 3.751 0 1 FHAF O=C(c1ccc(Oc2ccccc2)nc1)N1CCCN(C2CCC2)CC1 53293636 RJCAOGYBDXETJS-UHFFFAOYSA-N 351.450 3.574 0 1 FHAF C[C@H](NC(=O)Cc1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356300499 WZOACUVRMWVGJB-LBPRGKRZSA-N 368.364 3.599 0 1 FHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc4ocnc4cc3C[C@@H]21 117624528 ORHZZVDQAPIJGK-KUHUBIRLSA-N 358.401 3.649 0 1 FHAF COc1ccccc1N1CCN(CC[C@@H]2CC(=O)c3ccccc3C2)CC1 28468980 GFLUBYHIHCFJLP-SFHVURJKSA-N 364.489 3.653 0 1 FHAF Cn1c(NCc2ccncc2)nc2cc(-c3ccsc3)sc2c1=O 61908831 ZREUCCCUYNYABR-UHFFFAOYSA-N 354.460 3.731 0 3 FHAF CC(C)Oc1ncc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)cn1 72103504 NWESEUDQXHFBOY-LJQANCHMSA-N 355.825 3.596 0 1 FHAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@H]1COc2ncccc21 146608130 NOLLGHUYWWIUQZ-LBPRGKRZSA-N 356.731 3.546 0 1 FHAF Cn1cc2c(nc(NC3CCCCCCC3)n3nc(-c4ccco4)nc23)n1 95579056 HRFCOULEPPNWST-UHFFFAOYSA-N 365.441 3.796 0 1 FHAF CC(=O)N1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 95556967 CLTSDAREVVASSM-JVFGBDHYSA-N 371.477 3.698 0 1 FHAF O=C(NCc1ccc(Cl)cc1Cl)c1ccc(NC[C@@H]2CO2)cc1 621478515 WUAKCIXWTJXEJW-OAHLLOKOSA-N 351.233 3.734 0 1 FHAF CC1(C)[C@H]2CC[C@H]([C@H](O)C(F)(F)C(=O)c3ccc4c(c3)OCO4)[C@H]1C2 299844945 YKRZWVJRXGAVES-JRATXPSKSA-N 352.377 3.667 0 1 FHAF CC(=O)NC(C)(C)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587752182 CMJRWNYUNPMDOO-QGHHPUGFSA-N 371.294 3.642 0 1 FHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc3c(c2[nH]1)CCCC3 587194284 PIEJAIGBNBOXRP-QGZVFWFLSA-N 372.513 3.959 0 1 FHAF CCCOc1cc2nc(Cc3cccnc3N)[nH]c2cc1Br 587253468 AWLMJPLMBKQBLF-UHFFFAOYSA-N 361.243 3.682 0 1 FHAF COc1cc(/C=C\c2nc3ccc(C(N)=O)cc3[nH]2)ccc1Br 586977008 LTZIQSQPDAQKBQ-CLTKARDFSA-N 372.222 3.603 0 1 FHAF C[C@@H]1[C@H](CC(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587605085 XEDZMYNKZAZEQM-ZDWMIRFQSA-N 368.385 3.613 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(C)ccc1C)[C@@H](C2)C3=O 587447799 VMYMZPSEHVAVDF-JTSKRJEESA-N 366.413 3.820 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(Cl)ccc21 587460970 JRNNXCZNNGPDIB-IBGZPJMESA-N 357.793 3.811 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(N)c32)N1 587744598 HNQZZSVXLVLMHL-YPMLDQLKSA-N 361.258 3.894 0 1 FHAF Fc1cccc(C2(F)CC(c3nc4nc(Br)c[nH]c-4n3)C2)c1 587131292 CJOFDUJGNJYBSM-UHFFFAOYSA-N 365.181 3.949 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2C(=O)O)N1 587844365 NGXOIGXKAKRHNN-WPPNPWJKSA-N 370.243 3.972 0 1 FHAF CC(=O)c1ccc(-c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)cc1 586881222 UWRZRCBGKNURNA-UHFFFAOYSA-N 362.414 3.884 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3[nH]c(O)cc32)N1 587801439 GJKXTGBOEUPAFU-HUTHGQBESA-N 365.246 3.736 0 1 FHAF CCOC(OCC)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587401144 QJPMVCKZCJBFKT-NRFANRHFSA-N 355.434 3.837 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCCCC2)N1 587767907 SDABSQYWGNXKLM-PXAZEXFGSA-N 355.295 3.824 0 1 FHAF O=C1c2ccccc2-c2cc(-c3c(O)cc(O)cc3O)nc3ccc(O)c1c23 586991279 MDKGSGJPCKEFLM-UHFFFAOYSA-N 371.348 3.936 0 1 FHAF N[C@H](N=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076917 OZBWCYBWPCEGNX-HZPDHXFCSA-N 355.785 3.557 0 1 FHAF C[C@H]1C[C@H](C(=O)O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587825772 IJKSYSPTEDMWON-MEAVBRJHSA-N 370.262 3.839 0 1 FHAF CCOC(=O)Cc1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1 587056687 KXDZFNUWOLPDGR-HNNXBMFYSA-N 357.841 3.564 0 1 FHAF COc1cc2c3c(c1)OC1(CC(COCc4ccccc4)C1)[C@@H](C2)C3=O 587441394 FGDHDKYVWBWFJQ-TUAABQIMSA-N 350.414 3.808 0 1 FHAF CCCn1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962996658 QBKWEBRVDGBJEV-XJKSGUPXSA-N 354.784 3.518 0 1 FHAF Brc1ccc2c(c1)C1(CCC3(CC1)OCCO3)NC1(CC1)C2 961317126 FCTGCOGQDAMVBA-UHFFFAOYSA-N 364.283 3.640 0 1 FHAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2C2(CC(F)(F)C2)N1 963183577 JNIVSADXLYIVHT-SNVBAGLBSA-N 355.690 3.582 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cccc(-c2ncon2)c1 963046257 JDCFZVXCCJSVIR-IBGZPJMESA-N 358.401 3.529 0 1 FHAF COc1ccccc1C1=N[C@](C)(CC(=O)Nc2cccc(Cl)c2)ON1C 205217981 LUGFJRQLHVTULH-IBGZPJMESA-N 373.840 3.717 0 3 FHAF NC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772578247 RUZIHWQCGJEWCD-PKNBQFBNSA-N 355.401 3.971 0 1 FHAF COc1ccc2nc(C(F)(F)F)cc([C@@H](O)C[C@H]3CCCCN3)c2c1 169334021 JBOMJJNUUWGZGW-BZNIZROVSA-N 354.372 3.828 0 1 FHAF COC(=O)c1c(O)cc(OC)c(CO)c1OCC=C(C)CCC=C(C)C 2356413269 VCIDBPJGNGIQDM-UHFFFAOYSA-N 364.438 3.751 0 1 FHAF COc1ccc(-c2noc([C@H](C)O)c2C(=O)N[C@@H](C)c2ccccc2)cc1 2356289997 FYVPNPRZIYKDEL-KBPBESRZSA-N 366.417 3.895 0 1 FHAF C[C@@H](CNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1)c1ccccc1 6820951 GSJKIVYSSKMXHS-ZDUSSCGKSA-N 355.825 3.847 0 1 FHAF Fc1ccc(CSc2nc3cc(F)c(N4CCNCC4)cc3[nH]2)cc1 29048610 SEDYDWNTXCUPNG-UHFFFAOYSA-N 360.433 3.543 0 1 FHAF Cc1cccc2nc(-c3ccccc3I)oc(=O)c12 27740314 MJJFGDJSYAJYQD-UHFFFAOYSA-N 363.154 3.768 0 1 FHAF COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3C)[nH]n2)cc1OC 61925951 MODSVVIGTRYCEV-UHFFFAOYSA-N 355.369 3.794 0 3 FHAF Cc1cnsc1[C@@H](c1ccc(C(C)C)cc1)N1CCN(CCCO)CC1 28256555 LSUMUBPDRJQIAU-HXUWFJFHSA-N 373.566 3.664 0 1 FHAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3ccccc3F)no2)CC1 73197733 QGLQCHLCOJTQNT-UHFFFAOYSA-N 371.334 3.924 0 1 FHAF O=C(NCCC(F)(F)F)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61927072 PJKSUBCDMLEOAQ-CQSZACIVSA-N 370.758 3.774 0 3 FHAF O=C(O)c1nc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)no1 73167561 WFRIMISTTBXNLQ-HNNXBMFYSA-N 368.780 3.777 0 1 FHAF O=c1n(-c2ccccc2)nc2c(OCc3ccccc3)nc3ccccc3n12 40939667 OJGDXIRWEDPHFM-UHFFFAOYSA-N 368.396 3.612 0 1 FHAF CCc1nc(C(=O)N2CCC[C@H]2C(=O)OCCC2CCCCC2)cs1 82073548 ZXZQEXHWHAKFBL-INIZCTEOSA-N 364.511 3.824 0 1 FHAF COc1cc(CCNc2cncc(Oc3ccccc3)n2)cc(OC)c1 82068464 WYSIPRMFZDNTSQ-UHFFFAOYSA-N 351.406 3.941 0 1 FHAF COc1ccc2sc3c(C(=O)O)cc(-c4ccccc4)c(=O)n3c2c1 82152908 PXLYIJSPHKOBRX-UHFFFAOYSA-N 351.383 3.888 0 1 FHAF CCCCC[C@]1(C)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 194862980 HWOPMIJWXGQTJL-AHJQGUAMSA-N 350.499 3.913 0 1 FHAF O=C(CSc1nc(=O)c(/C=C/c2ccco2)n[nH]1)c1ccc(Cl)cc1 98082265 SYZKDVTUGDQHCB-BQYQJAHWSA-N 373.821 3.557 0 1 FHAF CCCCC/C=C\CC[C@H](O)CCCCCCCC(=O)OC(CO)CO 238782552 FHSDYFSJAFSCKH-QJSCKGPTSA-N 372.546 3.891 0 1 FHAF CC(C)=CC[C@H](O)[C@@H](C)CCC/C(C)=C/CC[C@H](C)C[C@@H](O)[C@@H](N)CO 261516004 ASNURABVVXFZSH-XENVAECXSA-N 369.590 3.943 0 1 FHAF in-vitro CCCCOc1c(OC)ccc2cc(C(=O)N[C@H](C)C(C)C)c(=O)oc12 299864333 MEGZXIDGRKAPJZ-CYBMUJFWSA-N 361.438 3.755 0 1 FHAF CCOC(OCC)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439135 JOQKJOXFQSOGJJ-VGOFRKELSA-N 368.429 3.737 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cl)c1OC)[C@@H](C2)C3=O 587422652 RAWKHYHTMCEIDB-KPZWWZAWSA-N 360.793 3.855 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C)C(=O)O)(c1cccc(F)c1)O2 587386410 XWOVFBLFSCNOQH-YUNKPMOVSA-N 357.381 3.688 0 1 FHAF C[C@@H]1C[C@H](C(=O)O)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587611340 SGGMNWGCTRJHTB-XHVBEMBKSA-N 368.385 3.613 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)O2 587387127 NIOMLGVDCLMVPA-QWQRMKEZSA-N 374.481 3.995 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](COC(C)=O)(c1ccc(F)cc1)CC2=O 587465838 HMEJOABTZUGTSI-NRFANRHFSA-N 372.392 3.908 0 1 FHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Cl)ccnc4[nH]3)cc2N1 587127039 QHHCABVGIQGDLS-IMTBSYHQSA-N 356.739 3.782 0 1 FHAF COc1ccccc1[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587521525 CFFIKJLKHBBHEZ-OAQYLSRUSA-N 352.386 3.519 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(N)cc(OC)cc1OC)CC2=O 587472377 ICBHQXKMIRFHKA-OAQYLSRUSA-N 371.433 3.825 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncc(F)c2)N1 587735463 UOWABXUQVSLDQA-JDNHERCYSA-N 353.210 3.920 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)c(Cl)c1 587547810 NLOVKFCVVKFASX-CRAIPNDOSA-N 369.760 3.849 0 1 FHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 587784412 GVAGLBAFAFQZRC-VXGBXAGGSA-N 372.222 3.664 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ncccc1C2 587590362 ZLQSZUFTQUWVBX-UGKGYDQZSA-N 359.381 3.677 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccc(Cl)cc3)no1)O2 587381063 ZTBSNQASOIDURY-OAHLLOKOSA-N 355.781 3.987 0 1 FHAF CCOC(=O)C1(C)CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587799238 RJGNTBYDEFBBMI-DTUOUAAVSA-N 370.262 3.681 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cnc([C@H]2CCCO2)s1 963643209 ZMFXKMZWSWZBTR-POHZPAGDSA-N 360.479 3.635 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2cccnc2)(C2CCNCC2)N1 962946335 LLEBIIBHCWBXAZ-WZONZLPQSA-N 360.505 3.730 0 1 FHAF CCOc1cc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)ccc1O 962627127 KTFQZIIZMUJVIL-ASSNKEHSSA-N 357.450 3.774 0 1 FHAF COc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(Cc3ccccc3)c2c1 1772636716 WJQPQABDOCYWDC-UHFFFAOYSA-N 359.429 3.767 0 1 FHAF CCCCCC(=O)NCCCNCCC[C@H]1CC(=O)c2c(C)cccc2O1 13360710 KBVGJONBHUCZBU-SFHVURJKSA-N 374.525 3.785 0 1 FHAF biogenic CCc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1COc2ncccc21 205615946 FUJRBBBWJFMIPA-AWEZNQCLSA-N 351.233 3.743 0 1 FHAF CCC(CC)CN=c1c(C(N)=O)c[nH]c2ccc(-c3ccc(C)nc3)cc12 1857583015 GISUXDZKZZWMHN-UHFFFAOYSA-N 362.477 3.974 0 1 FHAF Cc1ccc(NC(=O)c2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)c(C)c1 1857647609 AGXLYDHFSKEGCV-OAHLLOKOSA-N 363.461 3.889 0 1 FHAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 775158 RTYIPUYNVTXPPI-GFCCVEGCSA-N 360.410 3.710 0 1 FHAF CC1(C)CNC(c2ccc3c(c2)Cc2cc(C4=NC(C)(C)CN4)ccc2-3)=N1 1658579 JSOZGWRIJNREIY-UHFFFAOYSA-N 358.489 3.515 0 1 FHAF C[C@H](O)[C@]1(O)C[C@H]2[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 2356322156 ZOTNOPONJVMHKM-YPKXLALDSA-N 350.543 3.892 0 1 FHAF Cc1ccc2c(n1)N(C)[C@@H](CO)CCN(Cc1ccc(C(C)C)cc1)C2 2356290320 PKBOKDGCFCYPIA-OAQYLSRUSA-N 353.510 3.716 0 1 FHAF CCCCn1c(=O)c2ccccc2n2c(-c3ccc(N(C)C)cc3)nnc12 103169982 YYNCOGLXJUHOCH-UHFFFAOYSA-N 361.449 3.577 0 1 FHAF Cc1sc(C(=O)NCc2ccc(OCCO)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 103234954 ALJDIWOHGISZTH-SJLPKXTDSA-N 371.502 3.653 0 1 FHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccc(CO)cc3CC[C@@H]21 100620838 QLPRIDHQBWDNGK-IRLDBZIGSA-N 360.457 3.772 0 1 FHAF Cc1c(Cc2ccc(=O)n(C(C)C)c2)c2cc(F)ccc2n1CC(=O)O 117014960 JTZZEYZGKLAZHB-UHFFFAOYSA-N 356.397 3.507 0 1 FHAF Nc1ccccc1NC(=O)c1ccc(C[C@H]2COc3ccccc3C2=O)cc1 28826559 VZSBSGMJXMQMFU-KRWDZBQOSA-N 372.424 3.955 0 1 FHAF COc1ccc([C@@H]2NC(S)=NC(c3ccc(C)cc3)=C2CC(=O)O)cc1 29413331 VXTRKPQOGHUTOB-IBGZPJMESA-N 368.458 3.820 0 1 FHAF Cc1ccccc1-c1cc2nc(OC[C@H]3CCCO3)n(C)c(=O)c2s1 61907996 RQFRHVFZWKXACW-CYBMUJFWSA-N 356.447 3.528 0 3 FHAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2CC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 27203576 VQKLFYFQQYOFJU-RQUKQETFSA-N 367.537 3.808 0 1 FHAF CC(C)=CCC[C@H](C)C=CC=C(C)C(=O)NCCc1cn(CCCN)cn1 2356419595 YAFSLEGSHVYJSO-IBGZPJMESA-N 372.557 3.776 0 1 FHAF Cc1c(C(N)=O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1 72175977 NFALFQYJXAGULR-UHFFFAOYSA-N 368.400 3.576 0 1 FHAF CCCCc1c(COc2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 27999847 DBUXZZTVAHXKSD-UHFFFAOYSA-N 366.421 3.697 0 1 FHAF COC[C@@H]1CCCN1C[C@@H]1C=C(C)[C@H](Cc2nnc(C)o2)C[C@H]1C(C)C 2356813163 CDWQTSRACBCRAW-MUGJNUQGSA-N 361.530 3.886 0 1 FHAF COc1cccc(-c2cnc([C@@H](O)c3ccc(CN4CCCC4)cc3)[nH]2)c1 61908252 DWPZALRYWYKYKS-NRFANRHFSA-N 363.461 3.763 0 3 FHAF CCN(CC)CC[C@](CCN(C(C)C)C(C)C)(C(N)=O)c1ccccc1 39254125 RQYSDGJTXJQEBV-JOCHJYFZSA-N 361.574 3.651 0 1 FHAF O=c1[nH]c(CNc2cc(O)cc(O)c2)nc2c1sc1ccc(Cl)cc12 45285852 SJHSISOAEIVKHQ-UHFFFAOYSA-N 373.821 3.815 0 1 FHAF Cc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1N(C)C 49035606 WFAWSQOYHNWGQF-GFCCVEGCSA-N 361.877 3.689 0 1 FHAF O=C(Nc1ccc(C2=NCCN2)cn1)c1sc2ccccc2c1Cl 40425260 XTHQAOGKVNBGLM-UHFFFAOYSA-N 356.838 3.552 0 1 FHAF CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 224850115 VIPFQYCCHDZPIA-UHFFFAOYSA-N 367.405 3.835 0 1 FHAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](CO)c1ccc(F)cc1 142737718 IPEUDFUGDRARIJ-MEBBXXQBSA-N 372.223 3.750 0 1 FHAF O[C@]1(c2ccc3c(c2)Nc2ccccc2S3)CN2CCCC[C@H]2CO1 261094920 FDTHFZBIIQURTN-MGPUTAFESA-N 354.475 3.925 0 1 FHAF CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876174 PFVNNZCHQGXGIF-CQSZACIVSA-N 373.384 3.835 0 1 FHAF CCOC(=O)Cc1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587127284 VJBWIFJBABQVEP-UHFFFAOYSA-N 370.371 3.609 0 1 FHAF CCOC(=O)[C@@H](F)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986990 RYTXMIMDRJGGSK-SFHVURJKSA-N 351.333 3.726 0 1 FHAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587568337 BPPWGPSHGWRHEG-XLIONFOSSA-N 351.358 3.754 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc3ccc(Cl)nn13)CC2=O 587463308 WLSMONHSVSAAHG-HNNXBMFYSA-N 357.797 3.747 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(O)cc1O)[C@@H](C2)C3=O 587449887 JWONKCIWOZDUCQ-MBSDFSHPSA-N 374.392 3.798 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(F)F)N1 587723252 WEIXTPYGNVJGRV-JKYUHCHBSA-N 350.178 3.562 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1Cl)[C@@H](C2)C3=O 587421937 OKRZLQRLXRRZIV-HXPMCKFVSA-N 360.793 3.855 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)O)c2)N1 587824395 BNSFOARJCPRPSG-JDNHERCYSA-N 364.214 3.910 0 1 FHAF Cc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587407806 LBZQIXZPXLFFKO-OAQYLSRUSA-N 353.418 3.920 0 1 FHAF N[C@H](Cc1cscn1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587028983 CQEARKCMPBGVGG-MRXNPFEDSA-N 350.447 3.841 0 1 FHAF C[C@H](F)[C@H](N)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587125985 UUDSDIAOVULZCS-NVNXEXLPSA-N 356.117 3.582 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(O)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587418156 BANUTPYUDNSMMB-GUYCJALGSA-N 350.292 3.908 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCN(C)C)c1)CC2=O 587467166 DKAHFYPOQVXERG-OAQYLSRUSA-N 369.461 3.992 0 1 FHAF COC(=O)c1ccc2[nH]cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2c1 587395989 HVZQGUBQCYQAKD-NRFANRHFSA-N 364.401 3.726 0 1 FHAF O[C@H]1C[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)c2ccccc21 586904851 VZVHMJRYWVGXGS-ONGXEEELSA-N 364.630 3.943 0 1 FHAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 586936566 IUJXOKDNDNKDEA-MRXNPFEDSA-N 363.870 3.892 0 1 FHAF CC(=O)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813139 BGFFJVZTPVPFHC-BBATYDOGSA-N 362.242 3.955 0 1 FHAF C[C@H](O)c1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615013 UUELCYGFMAHZMD-VDYXNGCNSA-N 369.398 3.605 0 1 FHAF Cc1ccc([C@]2(c3ccc(O)cc3)NCCc3c(C(=O)O)cccc32)cc1 963130998 MAUYWNMKTDDWIY-HSZRJFAPSA-N 359.425 3.836 0 1 FHAF O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1[C@]1(c2ccccc2)NCCc2ccc(O)cc21 963353840 ULNNAFRZLYYIHQ-WNJWZHEWSA-N 363.457 3.528 0 1 FHAF COc1ccc(CC[C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c(C)c1 962929962 JNAQJXWADBVPMZ-OAQYLSRUSA-N 352.478 3.525 0 1 FHAF CC(=O)c1ccccc1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772604532 AQNQRVIFUSCJFC-GOSISDBHSA-N 350.374 3.854 0 1 FHAF COc1ccccc1N1CCN(CCCCC(=O)c2ccccc2O)CC1 13493242 GWSVWAFZLGWAGM-UHFFFAOYSA-N 368.477 3.576 0 1 FHAF CC(C)n1cnc2c(NCc3ccccc3)nc(CCCCCO)nc21 13834602 OLXQGZHFOHJWKE-UHFFFAOYSA-N 353.470 3.724 0 1 FHAF O=C1CN(Cc2cccc(C(F)(F)F)c2)C(=O)[C@H]1Sc1ccccc1 169693692 ZTKLULRIBKQUJE-INIZCTEOSA-N 365.376 3.778 0 1 FHAF COc1cc(CCNCc2ccccc2)c(OC)cc1Br 13737378 XXLRSXIQVKHKPM-UHFFFAOYSA-N 350.256 3.799 0 1 FHAF CC(=O)OCC=C(C)C(=O)O[C@H](C)c1ccc2c(c1)C(=O)CC(C)(C)O2 2356419332 OBOGYRDZWDMANK-CYBMUJFWSA-N 360.406 3.544 0 1 FHAF CC[C@@H](C)N1C(=O)CN(C2CCC(C)CC2)C(=O)[C@@H]1c1ccc(F)cc1 3038501 OVSYWPLDBYZTPC-NAPJCGGUSA-N 360.473 3.915 0 1 FHAF CC(=O)c1ccc([C@@H]2C=C[C@@H](Oc3ccc(F)cc3C)[C@@H](CO)O2)cc1 7992630 ORMRPUROBPYGCF-PWRODBHTSA-N 356.393 3.773 0 1 FHAF Cc1cc(C)n(-c2n[nH]c(-n3nc(C)cc3C)c3c4ccccc4nc2-3)n1 100868372 ZJIHOOYNWQXHRF-UHFFFAOYSA-N 357.421 3.668 0 1 FHAF COc1cccc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccncc3)cc2)c1 100105877 NPFAOTFRDYCANK-BKFWDETESA-N 371.484 3.697 0 1 FHAF Cc1nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)nc(C)c1C 28647386 FVBYWUYQYWAKNS-HNNXBMFYSA-N 351.834 3.973 0 1 FHAF COc1cccc(O[C@@]2(C)CCN(Cc3cccn3-c3nccs3)C2)c1 61925977 KYUSRFKLEQMSEZ-FQEVSTJZSA-N 369.490 3.986 0 3 FHAF O=C(CN(Cc1cccs1)C(=O)c1cccnc1)NC1CCCCCC1 66157503 SZFUGNZGSLRJOU-UHFFFAOYSA-N 371.506 3.625 0 1 FHAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2cccnc2)O[C@@H]1c1cccnc1 27741441 PWOHCYHMAOOXIW-NPLDGMMFSA-N 354.406 3.691 0 1 FHAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc(F)c(Cl)c3)C[C@@H]12 74378982 TXNDOHJRJYWPRV-PBHICJAKSA-N 358.800 3.663 0 3 FHAF CCCCCC[C@H](C[C@@H](O)CCc1ccc(O)c(OC)c1)OC(C)=O 15257024 SNEXTXLRTJGYIH-ZWKOTPCHSA-N 352.471 3.987 0 1 FHAF biogenic OCCN1N=C2/C(=C/c3ccccc3)CSC[C@H]2[C@H]1c1ccccc1 34588884 CXMODPOEHDEXPR-BTJPGNQNSA-N 350.487 3.838 0 1 FHAF CCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1 82132459 IZTMJZOHJAQVFQ-UHFFFAOYSA-N 352.482 3.910 0 1 FHAF NC[C@H](NC(=O)c1cc(-c2ccnc3[nH]ccc23)cs1)c1ccccc1 40895316 FRSCXNVIGBMZPG-KRWDZBQOSA-N 362.458 3.721 0 1 FHAF CC(=O)N1CCC[C@]1(Cc1ccc(C)cc1)C(=O)OCc1ccccc1 49087654 OAWCHBXEFXVIEN-QFIPXVFZSA-N 351.446 3.662 0 1 FHAF COc1cc(Cl)ccc1O[C@H](c1ccccc1F)[C@H]1CNCCO1 89465213 LHOSACAWSLTLQJ-QZTJIDSGSA-N 351.805 3.596 0 1 FHAF in-vitro Cc1c(-c2ccc3[nH]c(=N)[nH]c3c2)ccc2c3ocnc3c(=O)n(C3CC3)c12 2382223330 ATGHBWSNPKEPRY-UHFFFAOYSA-N 371.400 3.742 0 1 FHAF COc1cc2c(cc1OC)[C@H]1c3cc(OC)c(OC)cc3[C@H](C2)N(C)[C@@H]1C 473244415 KDHOOJMMEFSELE-WAQMSGSHSA-N 369.461 3.784 0 1 FHAF COc1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 299829748 RRLCGJPBPYFRNJ-UHFFFAOYSA-N 361.810 3.920 0 1 FHAF COC(=O)c1occc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587828580 OJKGLPFTFVAEET-RMLUDKJBSA-N 368.202 3.591 0 1 FHAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587773634 RBSVCUWLFXNHDQ-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1 586967236 RNUJDCLTNOTXLK-UHFFFAOYSA-N 369.324 3.700 0 1 FHAF Cc1ccc(F)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587503160 DEQYTMBLWLHQPL-NRFANRHFSA-N 351.377 3.826 0 1 FHAF COc1cc2c3c(c1)O[C@@H](C1CCN(Cc4ccccc4)CC1)[C@@H](C2)C3=O 587445377 WGTBBFOICAELCD-CVDCTZTESA-N 363.457 3.723 0 1 FHAF CO[C@@H](C)COC1CCC(c2nc3c(Br)ccnc3[nH]2)CC1 587953097 ZKSWDMOLLDRFST-UNXYVOJBSA-N 368.275 3.798 0 1 FHAF COC(=O)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1OC 586896561 UDRRQZBFRRUWEZ-UHFFFAOYSA-N 354.406 3.629 0 1 FHAF CCN(CC)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332971 FEWUKIKSZIICPV-FPOVZHCZSA-N 357.425 3.991 0 1 FHAF O=C(N[C@@H](c1ccccc1)c1nc2c(Cl)ncnc2[nH]1)c1ccccc1 587220570 SUHZENOALZTODK-AWEZNQCLSA-N 363.808 3.526 0 1 FHAF CC(C)n1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587755908 BMQQHTINFBYRRV-QLJPJBMISA-N 352.251 3.989 0 1 FHAF CCOC(=O)c1ccc2nc([C@H](CC)Sc3nc(C)cc(O)n3)[nH]c2c1 586963694 QGOMBIMCXAOVMA-AWEZNQCLSA-N 372.450 3.787 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c4c(c1)OCCO4)[C@@H](C2)C3=O 587424504 ZZGQQWCVSLRAFK-SGTLLEGYSA-N 358.777 3.609 0 1 FHAF O=C(c1ccc(O)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661329 XHWUWDNZTJPVRE-UHFFFAOYSA-N 360.344 3.597 0 1 FHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(C(=O)O)c2[nH]1 587201637 USBQIFPSYAVTJT-UHFFFAOYSA-N 361.442 3.842 0 1 FHAF CN(CCO)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509516 ZNYFCPORHWEKLG-NRFANRHFSA-N 351.446 3.700 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)nc1C)[C@@H](C2)C3=O 587416960 GXHOOPFKDJPVJN-SJCJKPOMSA-N 360.207 3.650 0 1 FHAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587447146 MDXUOZLWPUSLRV-KSFYIVLOSA-N 366.413 3.720 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2CC2CC2)N1 587762108 XERYDOFZAVVGFO-DYZYQPBXSA-N 364.262 3.818 0 1 FHAF Cc1c(F)ccc2c1[C@](CC(=O)c1nccs1)(C(F)(F)F)NCC2 962144625 LMDGANNHIZUBFX-OAHLLOKOSA-N 358.360 3.767 0 1 FHAF COc1cc([C@@]2(C)c3ccsc3CCN2C(N)=O)ccc1OC(F)F 962699253 IDTSPBUZEBRTJY-KRWDZBQOSA-N 368.405 3.558 0 1 FHAF C[C@@]1(c2cc(F)cc(F)c2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963233653 PHGIAAFXQJEHTA-PXNSSMCTSA-N 372.346 3.515 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1nc2ccccc2n1C 963052922 FHLWMAGTQSZHAM-QFIPXVFZSA-N 358.445 3.539 0 1 FHAF O=[S@](Cc1ccccc1N1CCCCC1)c1nccn1-c1ccccn1 13746267 YLGBHDQWJWALNZ-SANMLTNESA-N 366.490 3.565 0 1 FHAF C[C@H]1CCC[C@H](Nc2ncnc3c2nnn3Cc2ccccc2Cl)C1 13778505 YOQCHWGMJSBDOY-JSGCOSHPSA-N 356.861 3.914 0 1 FHAF Cc1nc(N2CCC(N(C)Cc3ccco3)CC2)nc2ccc(F)cc12 14880808 INDALNFIXCXCMG-UHFFFAOYSA-N 354.429 3.771 0 1 FHAF CNC(=O)c1cc(Oc2ccc3cc(-c4noc(C)n4)ccc3c2)ccn1 1857753310 RRRSAURDWVMSJV-UHFFFAOYSA-N 360.373 3.745 0 1 FHAF O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccc(Br)cc12 1645472 KWZBMRBWEHFCMK-UHFFFAOYSA-N 366.218 3.863 0 1 FHAF CCc1ccc([C@@H]2C[C@@H](c3cc(OC)ccc3OC)N3NC=NC3=N2)cc1 2915268 RZSVCBGACGRXGV-OALUTQOASA-N 364.449 3.657 0 1 FHAF CCCCCC(=O)CCC=CC=CC=C[C@@H](O)[C@@H](O)CCCC(=O)O 2356284508 FPRPRBFSKMFXRV-MOPGFXCFSA-N 352.471 3.561 0 1 FHAF O=C(OCCCF)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(Br)cc1)N2 101016793 GBXCFQBRUJWAGV-YHUYYLMFSA-N 370.262 3.576 0 1 FHAF CC(C)C[C@H](NC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12)C(=O)O 103229305 JJQZLGHDHPDOEO-YZDRJCRTSA-N 363.457 3.899 0 1 FHAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Br)s1)CN32 100969820 AZGJPBSOUXXLFR-NVAZYXEMSA-N 368.296 3.550 0 1 FHAF Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2N(C)C)on1 28759561 GAPHJWKZCXHWPB-UHFFFAOYSA-N 357.454 3.618 0 1 FHAF Cc1ccc(-c2cc3c4c(cccc4c2)C(=O)N(CCN(C)C)C3=O)cc1 66100147 DRMQOLHJIFZIFO-UHFFFAOYSA-N 358.441 3.973 0 1 FHAF CSc1nc2sc3c(c2c(=O)n1-c1ccc2c(c1)OCO2)CCCC3 28948913 SVUMGBALCALXCE-UHFFFAOYSA-N 372.471 3.777 0 1 FHAF COC(=O)[C@@H]1CCC[C@]23[C@H](C)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@@H]12)[C@@]43O 2356765089 NOYOVPKOEBZOML-QYVSAAMKSA-N 360.450 3.573 0 1 FHAF CCCCN(C(C)=O)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 2356875318 ZOQLMLBRPYFSSC-HXUWFJFHSA-N 360.498 3.834 0 1 FHAF Cc1oc(-c2ccccc2C(N)=O)cc1C(=O)Nc1nc2c(s1)CCC2 72181349 AZMVRNPAAWNOGO-UHFFFAOYSA-N 367.430 3.551 0 1 FHAF C=CC1=C(C(=O)NCCc2ccccc2F)[C@@H](c2ccc(OC)cc2)OC1 73219515 DBXARRLLLDLTAX-OAQYLSRUSA-N 367.420 3.747 0 1 FHAF CCCCCN1C(=O)[C@@]2(OCc3cc4c(cc32)OCO4)c2ccccc21 71334146 KTFHKMBXOMMQGS-OAQYLSRUSA-N 351.402 3.726 0 1 FHAF CN1CCN(c2nc(NCc3cccs3)c3cc(Cl)ccc3n2)CC1 40845119 OLJSGKYQYTWQNJ-UHFFFAOYSA-N 373.913 3.709 0 1 FHAF COCCn1c(C(C)C)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82197183 WZNCJSYRBZOFIF-OAHLLOKOSA-N 353.470 3.812 0 1 FHAF NC[C@H](NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1)c1ccccc1 40895788 XGVJSYKODLTBGE-INIZCTEOSA-N 362.458 3.721 0 1 FHAF O=C(O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(C2(O)CCC2)cc1 137008741 LYIOFXTXACPEFA-FBBABVLZSA-N 374.477 3.517 0 1 FHAF CC(C)Oc1cncc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1 145375274 DSXHSERBBFHDMQ-UHFFFAOYSA-N 352.423 3.513 0 1 FHAF CC1(C)CCc2c(-c3coc4cc(O)cc(O)c4c3=O)ccc(O)c2O1 40422168 CFGUDCVYJGCIHR-UHFFFAOYSA-N 354.358 3.680 0 1 FHAF biogenic O=C(O)Cn1c(=O)oc2c(/C=C/c3ccc(C(F)(F)F)cc3)cccc21 2382225144 XDOBRMXHVPYYHR-QPJJXVBHSA-N 363.291 3.868 0 1 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NC[C@@H](O)CC 299888043 ZUWVZCCWAJUVPP-USXIJHARSA-N 352.500 3.649 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccncn3)s1)CC2=O 587494477 KEDYCXFRMLLHAQ-MRXNPFEDSA-N 367.430 3.965 0 1 FHAF CC[C@]1(c2nccn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757982 WLETXEKQFBROBZ-HWPZZCPQSA-N 352.251 3.510 0 1 FHAF COC(=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587077750 ZFYICLIFQONJGY-INIZCTEOSA-N 355.781 3.620 0 1 FHAF COc1ccc(C[C@H](C)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1OC 587925292 DVCVHKFHFACEGE-ZDUSSCGKSA-N 367.449 3.628 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)c(N)c2)N1 587747219 KRAGSOJSNWWTCR-HUTHGQBESA-N 364.262 3.550 0 1 FHAF CCCn1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587754982 NLYSSWHUFMHWMM-MGPLVRAMSA-N 352.251 3.818 0 1 FHAF O=Cc1cc(C=O)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604812 YVFNYIWWJRHAJA-UGKGYDQZSA-N 374.348 3.720 0 1 FHAF COC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591867 FLDDYAYJQDVMCU-DENIHFKCSA-N 362.381 3.896 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cn2ccccc2n1 587872415 LHHVSRDHHCZKPS-UHFFFAOYSA-N 364.380 3.619 0 1 FHAF C=C1Nn2c(nc(C)c2[C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)S1 587497354 CCCADJROYJTOSN-OAHLLOKOSA-N 357.435 3.677 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ncc[nH]1)[C@@H](C2)C3=O 587422454 PZEKAIGQFLRAQT-MGPUTAFESA-N 366.804 3.763 0 1 FHAF CCOC(=O)c1ccc2nc(-c3sc(Br)nc3C)[nH]c2c1 587011133 LBRPIZBWJOKPAY-UHFFFAOYSA-N 366.240 3.934 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccc4)[C@@H](C)C1)[C@@H](C2)C3=O 587437874 LTNHJEMOGQTDCH-FOMLIJIXSA-N 363.457 3.866 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ncc(C3OCCO3)s1)CC2=O 587492807 CFUBVAZSWNIALY-AWEZNQCLSA-N 361.419 3.553 0 1 FHAF COc1cc(Br)ccc1[C@H]1NCCc2c1c(C(C)C)nn2C 962916196 JCWMBTRLXUHYHP-QGZVFWFLSA-N 364.287 3.550 0 1 FHAF COc1ccc2c(c1OC)[C@@]1(CCc3ccc4c(c31)CCO4)N(C)[C@@H](C)C2 962619585 DSKUOGYLLPIPNL-PSLXWICFSA-N 365.473 3.705 0 1 FHAF Cc1nsc(N)c1[C@]1(C)c2ccsc2CCN1Cc1cccn1C 962376260 VEVJAJMDXZUXHE-SFHVURJKSA-N 358.536 3.756 0 1 FHAF c1ccc(-c2nc(-c3cc4ccccc4nc3N3CCOCC3)no2)cc1 1772655246 OQBXXFKKXHMIOU-UHFFFAOYSA-N 358.401 3.788 0 1 FHAF COc1cc(C(=O)NCc2c(F)cccc2Cl)ccc1-c1cn[nH]c1 1772651363 FDNZNHRDINDRLM-UHFFFAOYSA-N 359.788 3.808 0 1 FHAF O=C(N[C@H]1CCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 169350898 YDXMBTKCMJMZID-UXHICEINSA-N 351.425 3.748 0 1 FHAF CN1CCC(c2n[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1 587656 IMRMDLZGICUAAD-UHFFFAOYSA-N 352.413 3.764 0 1 FHAF Nc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2nc3c(cc12)CCCC3 1439602 JPGKRSFUDKCOET-UHFFFAOYSA-N 367.430 3.738 0 1 FHAF COc1cccc(N[C@@H](C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1 115722852 WXPURLUJNBIBDM-JTQLQIEISA-N 367.434 3.620 0 1 FHAF O=C(O[C@H]1CC[C@@]23CCCC[C@H](C=C(CO)C[C@H]12)C3=O)c1ccccc1 27653131 BSIQRCOEQXOMFW-IWQHBPENSA-N 354.446 3.690 0 1 FHAF COc1ccc(C)n2nc(CCc3nc(-c4cscc4C)cn3C)nc12 117877403 DRBFSXXRAIOYSH-UHFFFAOYSA-N 367.478 3.602 0 1 FHAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2c1cccc2N1CCCC1 28964813 UOHCGMBECWOBEU-GOSISDBHSA-N 361.449 3.972 0 1 FHAF Cc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccnc4)c3)c12 28900995 OSNPLDLPFDTALJ-UHFFFAOYSA-N 355.405 3.574 0 1 FHAF O=C(Nc1ccccc1)c1cc([C@H]2CCCCN2C(=O)OCCF)on1 61906581 WQOVLBPOBCBBMZ-OAHLLOKOSA-N 361.373 3.560 0 3 FHAF O=C1Cc2cnc(Nc3ccc(O)c(Cl)c3)nc2-c2ccccc2N1 45356921 NKTDDFFCFNHRMA-UHFFFAOYSA-N 352.781 3.741 0 1 FHAF CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@H]3CCCNC3)cc2)cc1 84688330 NQPKFYTWQKOHLO-FQEVSTJZSA-N 365.477 3.544 0 1 FHAF O=C1CN(S(=O)(=O)c2cccs2)c2ccccc2-c2ccccc21 40975680 YORIAFCWXUMHOS-UHFFFAOYSA-N 355.440 3.807 0 1 FHAF COc1c(F)cc(C[C@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1F 45202776 WOEKXZKYVQIOAS-APPDUMDISA-N 355.812 3.881 0 1 FHAF O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3ccccc3c2)N1C1CC1 95570014 WHMOPSOIVLEILY-FQEVSTJZSA-N 367.412 3.523 0 3 FHAF O=c1nc(-c2ccccc2)c2oc3ccccc3c2n1CCN1CCCC1 96909994 MWXBGVOTQLOEGK-UHFFFAOYSA-N 359.429 3.906 0 1 FHAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4C)OCO5)OC[C@@H]23)ccc1O 263637614 OFCHTGCBFRTISG-UGCQDJOBSA-N 370.401 3.513 0 1 FHAF CCCOc1cc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2cc1Br 586905881 FTYBKLBKVJWGTD-VIFPVBQESA-N 367.243 3.923 0 1 FHAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)c(Cl)cc2[nH]1 586961442 JCQCHPKPLJDVPD-RXMQYKEDSA-N 356.238 3.801 0 1 FHAF C[C@H](F)[C@@H](N)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587123437 JPHPZFBZLVXUBJ-RNHFCUEFSA-N 356.117 3.582 0 1 FHAF C/C(=C\[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC1CC1 587740008 CAPLTFICFHMFFS-XIBALKQSSA-N 353.279 3.993 0 1 FHAF C=C(C(=O)O)c1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O 587945919 ORBLKBWNENPGLL-OAHLLOKOSA-N 371.364 3.951 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(OC(C)=O)cc1)[C@@H](C2)C3=O 587440959 DLERWHUNNNXPJG-AVRDEDQJSA-N 366.413 3.759 0 1 FHAF OCC12CCC(c3nc4c(Br)cnc(Cl)c4[nH]3)(CC1)CC2 586895487 JKFNFXLCPOBFBN-UHFFFAOYSA-N 370.678 3.958 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](O)C(C)(C)C2)N1 587835903 YOWYCYWTQTXRLX-JUKMUDQWSA-N 356.279 3.889 0 1 FHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 587788078 ZYHYGEAJVPDDHV-STQMWFEESA-N 361.323 3.920 0 1 FHAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Cl)cncc4[nH]3)no2)n1 587118931 SXKCRTDNYVQSAE-UHFFFAOYSA-N 368.706 3.530 0 1 FHAF COC(=O)[C@@]1(C)CCc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587399347 KIXBBBHAMBKZRE-FGZHOGPDSA-N 365.429 3.563 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)cc1N)[C@@H](C2)C3=O 587412702 JSETUMFOSUFQTN-UGSOOPFHSA-N 374.234 3.703 0 1 FHAF C[C@H](O)c1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587855366 VFBCJZVCKCEEKI-KXEKKFMESA-N 371.275 3.722 0 1 FHAF CCN1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342378 DQXQXNLZUYJFKF-TZIWHRDSSA-N 355.409 3.745 0 1 FHAF CCCn1ccnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757899 WCOVPNOUNBTGJE-ZUZCIYMTSA-N 352.251 3.818 0 1 FHAF CCOc1c(C)c(O)c2c(c1C)O[C@@H](c1ccc(O)c(OC)c1)CC2=O 685935621 WZJGGZIWXDQPAL-OAHLLOKOSA-N 358.390 3.828 0 1 FHAF biogenic,in-vitro Cn1ncc2c(NC(=O)NCc3ccc(Br)cc3)cccc21 14973804 IBPCHGJUAFXLPI-UHFFFAOYSA-N 359.227 3.658 0 1 FHAF CC(C)C[C@@H]1CC(=O)[C@H](C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1 169727334 CBBQHZCZSZXBCN-UYAOXDASSA-N 370.493 3.793 0 1 FHAF COC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 1857601216 HQVFZJDZNUARFD-INIZCTEOSA-N 370.405 3.630 0 1 FHAF O=C(/C=C/c1ccc(F)cc1)Nc1cccc(OCC2CCNCC2)c1 1857614735 OBQFJAFWKDNGFO-RMKNXTFCSA-N 354.425 3.856 0 1 FHAF CC(=O)Nc1cc(O)ccc1C(=O)NCCc1ccc(C(C)(C)C)cc1 1857753623 DGJDXPMMIKUVNR-UHFFFAOYSA-N 354.450 3.621 0 1 FHAF Cc1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1 1857759523 UUEFCGANTCQPQE-UHFFFAOYSA-N 356.441 3.797 0 1 FHAF CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(N)c2)cc1 1486092 VYRFCOXDNIUBNQ-UHFFFAOYSA-N 363.505 3.936 0 1 FHAF Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3ccccn3)c2)on1 9228276 ZMUUAZWXQYPELL-UHFFFAOYSA-N 357.435 3.969 0 3 FHAF Cc1ccc(-n2c(CC(=O)c3ccncc3)nc3ccccc3c2=O)cc1 29399933 OBVKPJLDIBTYGH-UHFFFAOYSA-N 355.397 3.515 0 1 FHAF COc1cccc(CO[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(C)=O)c1 66156567 AJPWQTJSSAKUPS-YPAWHYETSA-N 368.429 3.840 0 1 FHAF Cc1cc(C)c(OC[C@H](O)C[C@@H](O)CC(=O)O)c(C2CCCCCC2)c1 27523808 AMEFGKQQBOIUOK-QZTJIDSGSA-N 364.482 3.707 0 1 FHAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)O)[C@H]1c1cccc(-n2ccnc2)c1 26752731 FOQLUWFQRZJZDR-GMQRBVGNSA-N 367.405 3.595 0 1 FHAF Cc1cnsc1[C@H](c1ccc(C(C)C)cc1)N1CCN(C[C@H](C)O)CC1 28253949 XYWOULVRZHKIPZ-PXNSSMCTSA-N 373.566 3.663 0 1 FHAF COc1ccc([C@@H]2CC(=S)N2c2cc(OC)c(OC)c(OC)c2)cc1 66058900 KDPLWIVBPCAVCP-HNNXBMFYSA-N 359.447 4.000 0 1 FHAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2c(C)c(C)nc12 38358112 UOFYVWZZEOSJGQ-UHFFFAOYSA-N 364.428 3.745 0 1 FHAF N#Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1 216340026 FYYWXCPCCFSLEV-UHFFFAOYSA-N 354.369 3.557 0 1 FHAF CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)nc3)nc2c1 73294734 HKYVJOGYMCPXID-UHFFFAOYSA-N 371.340 3.779 0 1 FHAF Cc1nn(-c2ccccn2)c(O)c1C(=O)Nc1ccccc1C(F)(F)F 73224664 LVSPLOJUEMISQY-UHFFFAOYSA-N 362.311 3.552 0 1 FHAF C[C@@H]1CN(Cc2cccn2-c2ncccn2)Cc2cc(Cl)ccc2O1 95603398 SHSRWVVSSGQIIA-CQSZACIVSA-N 354.841 3.704 0 1 FHAF CC[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342109 LTYYIZXBOUNJSD-TZIWHRDSSA-N 366.392 3.929 0 1 FHAF Cc1cc(F)c2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 587037937 NWNHHAMBMZRCDA-JTQLQIEISA-N 371.441 3.758 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(Cc3ccc(Br)cc3C1)O2 587370225 CKUOWULEDBDYBU-SFHVURJKSA-N 358.235 3.843 0 1 FHAF COc1cncc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586997107 AUJVZRHBTUOFOO-NSCUHMNNSA-N 374.194 3.628 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(-c4cccnc4)ccc1O)[C@@H](C2)C3=O 587435386 FPVOISIVQGQFQE-HTAPYJJXSA-N 359.381 3.952 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)c(Br)cn1)O2 587370010 AKHSMARUCIHPIG-QGZVFWFLSA-N 361.239 3.924 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CC2CCC2)c2ccccc21 587398078 DYEZRZXMUXIGQD-JOCHJYFZSA-N 362.429 3.585 0 1 FHAF Oc1ccc2scc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2c1 587031787 MBNLTKCUBBDBQW-UHFFFAOYSA-N 365.458 3.982 0 1 FHAF C[C@H](F)[C@@H](N)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587122812 GVDYSYFLDKSMJL-AJAUBTJJSA-N 356.117 3.582 0 1 FHAF COc1cncc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587115795 AWKLJEKCGDCTCU-UHFFFAOYSA-N 373.132 3.810 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1-c1nnc(-c2ccccc2)n1C1CC1 587652325 CCINZANBRRNOOP-UHFFFAOYSA-N 363.808 3.633 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ccnc(C(F)F)c1 963029398 CMDOKZZLGUUUGF-HXUWFJFHSA-N 355.388 3.985 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@H](c2cc(O)ccc2Cl)N1)C(F)(F)F 962764294 LGESXPRJNMDIPD-LSDHHAIUSA-N 355.743 3.781 0 1 FHAF CCc1ccc([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962971046 SHSZEJAIAAMACE-PXAZEXFGSA-N 355.768 3.636 0 1 FHAF O=C(c1ccccc1F)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 13570899 XUGDYCNFYZBPLO-UHFFFAOYSA-N 365.408 3.647 0 3 FHAF COc1ccnc(C[S@@](=O)c2nc3cc(C(C)(C)C)ccc3[nH]2)c1C 13603884 VGZUFUBQJOBXSZ-VWLOTQADSA-N 357.479 3.880 0 1 FHAF CN(CCCC(=O)c1ccc(F)cc1)CCN(C)Cc1ccc(F)cc1 19364377 QAFKEGIJKXSFAQ-UHFFFAOYSA-N 360.448 3.992 0 1 FHAF FC(F)(F)c1ccc2c(c1)nc1n2[C@H](CNCc2ccccc2)COC1 2356382021 KJVDRPVNKZTTST-OAHLLOKOSA-N 361.367 3.916 0 1 FHAF COc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCC2)cc1 3039860 ZTYTWLIPBTUJIQ-NRFANRHFSA-N 370.493 3.682 0 3 FHAF CCc1nc2c(CC)c(Cn3ccnc3-c3cc(F)ccc3C)ncn2n1 6718851 YMBCGEXQOACNHS-UHFFFAOYSA-N 364.428 3.608 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](c3cccc(Cl)c3)CN1CC2 6733236 ZJDLPRJGRPALAH-QYZOEREBSA-N 372.896 3.771 0 1 FHAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)[C@H]1c1cccs1 6783184 OCBUKTRQGRFTJH-QZTJIDSGSA-N 363.442 3.692 0 1 FHAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1c(F)cccc1Cl 104059960 DCCWTSDFEBWQSI-FQZGENGWSA-N 365.796 3.747 0 1 FHAF COc1cccc(C(=O)NC2CCN(C/C=C/c3ccccc3)CC2)c1 28393988 IIQHACZKWUUHQU-RMKNXTFCSA-N 350.462 3.603 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3cccn3C)cc2)C[C@@H]2CC[C@H]1N2C 27551150 NXORNPDSIJCZRC-UYWIDEMCSA-N 352.478 3.822 0 1 FHAF Cc1cc(Cl)ccc1OC[C@H](O)CCN1CCN(c2ccccc2)CC1 29481669 FRETZXIRXVLAEV-HXUWFJFHSA-N 374.912 3.600 0 1 FHAF Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(N3CCCC3)n1-2 39247033 LDYBXUUTDHAAGD-UHFFFAOYSA-N 363.852 3.872 0 1 FHAF O=c1nc(SCc2ccccc2)nc(SCc2ccc(F)cc2)[nH]1 72123492 LMHOJJXXHUQQAO-UHFFFAOYSA-N 359.451 3.889 0 1 FHAF CC(C)n1ncn(-c2nc3c(s2)[C@@H](C)Sc2sccc2-3)c1=O 73156240 BANBWLIHRMUFAZ-MRVPVSSYSA-N 350.494 3.967 0 1 FHAF COc1cc(Nc2cncc(Nc3ccccc3)n2)cc(OC)c1OC 40979563 CPNUEMWHACQFFN-UHFFFAOYSA-N 352.394 3.990 0 1 FHAF CSc1ccc(Cc2nnc3sc(-c4ccc(O)cc4)nn23)cc1 42890146 QIVZPAQJOYMCDO-UHFFFAOYSA-N 354.460 3.871 0 1 FHAF COCc1[nH]nc2c1[C@H](c1ccc(C)cc1)N(c1ccc(OC)cc1)C2=O 199731502 ULAOLIIITVFRAP-FQEVSTJZSA-N 363.417 3.623 0 3 FHAF CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 40395834 MRDSCHQXYLDNSX-WBVHZDCISA-N 373.453 3.535 0 1 FHAF O=C1OC[C@H](Cc2ccccc2)N1c1ccnc(NCc2ccccc2)n1 142100716 IWJUCVJHYULYOI-SFHVURJKSA-N 360.417 3.657 0 1 FHAF CC(C)COC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)O 68572324 XBSZCEGJOYZQBJ-GHBBCFCZSA-N 350.414 3.794 0 1 FHAF biogenic CNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1 653737365 FCTAJURTTSSINS-UHFFFAOYSA-N 373.522 3.951 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]31)O2 587400438 PLJHGFSXQKCVRE-CGSMKXTHSA-N 372.465 3.558 0 1 FHAF N[C@H](Cc1cscn1)c1nc2cc(Cl)cc(Br)c2[nH]1 587028773 WKDDXSOZSRCWQY-SECBINFHSA-N 357.664 3.678 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)nc2F)N1 587738336 NELMGQOOSNEHNW-JKYUHCHBSA-N 357.173 3.885 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(c3ccncc3)CC1)CC2=O 587473725 BUALMVBSCFEZCD-UHFFFAOYSA-N 352.434 3.744 0 1 FHAF N=c1[nH]c(-c2cccc(-c3nc4cncc(Br)c4[nH]3)c2)cs1 587022544 YNQRWWWFHSNILW-UHFFFAOYSA-N 372.251 3.923 0 1 FHAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587586754 JLOXWEZWDYSSIM-RXVVDRJESA-N 363.369 3.889 0 1 FHAF COc1cc(/C=C/c2nc3c(N)ncnc3[nH]2)cc(Cl)c1OCC(C)C 587046901 OYEAIQQXINFTCZ-SNAWJCMRSA-N 373.844 3.802 0 1 FHAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C3CCC3)[nH]c2c1 586885115 XKSQOSWKHVRYAT-UHFFFAOYSA-N 357.435 3.640 0 1 FHAF O=C(O)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611793 UDKWCGWZZCYBNE-PXNSSMCTSA-N 362.337 3.793 0 1 FHAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(O)cc2[nH]1 587198453 KYQVLPUXLLSRCP-UHFFFAOYSA-N 358.401 3.794 0 1 FHAF CCO[C@H](C)c1nc(C)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)s1 587013822 CLVIIXDJJMOEEM-SSDOTTSWSA-N 357.361 3.853 0 1 FHAF CCCCOC(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790786 GOGHVXFMCKFSJD-QLJPJBMISA-N 358.251 3.681 0 1 FHAF COC[C@@]1(C2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591246 BTAKPMQASCECSC-RXVVDRJESA-N 354.402 3.929 0 1 FHAF N[C@H](N=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995697 MXYXPYIMGRNSBI-MRXNPFEDSA-N 374.242 3.704 0 1 FHAF FC(F)c1c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cnc2ncnn12 587128327 KZWFVTCDWJNCMS-UHFFFAOYSA-N 354.242 3.624 0 1 FHAF Fc1cccc([C@H]2C[C@H]2c2nc3nc(Br)c[nH]c-3n2)c1F 587152429 NDNZWGPRDRRNAM-HTQZYQBOSA-N 351.154 3.616 0 1 FHAF COc1ncccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587766289 GALMQRSCRMQMQN-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF COc1cc2c3c(c1)OC1(CCN([C@@H]4CCCC[C@@H]4C)CC1)[C@@H](C2)C3=O 587439084 SUEPILFUAYKSRI-JCGIZDLHSA-N 355.478 3.856 0 1 FHAF NC(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133765 CAEZRXVRNYJLOG-RQOWECAXSA-N 353.250 3.528 0 1 FHAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1ccnc2cn[nH]c12 962696912 HDPHBPOHDXPGPG-CWTRNNRKSA-N 354.454 3.550 0 1 FHAF O=C(NCc1cc2ccccc2[nH]1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12718752 HCCSVRVHQDHNPY-SFHVURJKSA-N 367.493 3.603 0 3 FHAF CN(CCCCc1ccccc1)C[C@@H](O)c1ncc(-c2ccccn2)o1 14980161 DTLJRCZJLMKFGO-LJQANCHMSA-N 351.450 3.725 0 1 FHAF CC1CCN(C2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)CC1 1857604537 XJNICBLWQSTVHY-UHFFFAOYSA-N 372.534 3.725 0 1 FHAF CC(=O)Oc1ccc2c(=O)c(Cc3ccccc3)c(C)oc2c1OC(C)=O 215361139 CXESPDWARXTCQZ-UHFFFAOYSA-N 366.369 3.543 0 1 FHAF CCCCCC(=O)CC[C@@H]1[C@@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O 2356318276 CUJMXIQZWPZMNQ-AOIWGVFYSA-N 352.471 3.683 0 1 FHAF O=C(c1nnc(Cc2ccc(Cl)cc2)o1)N1CCc2ccccc2C1 4928472 ONUODZZNIWJRGB-UHFFFAOYSA-N 353.809 3.512 0 3 FHAF O[C@H](c1ccc(Cl)cc1)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1 26004811 SWBGCNUQZWWMRM-QZTJIDSGSA-N 363.244 3.811 0 1 FHAF Cc1c(-c2ccc(O)cc2)n(CCCCCNCCN)c2ccc(O)cc12 29404035 SJRAXAYQOCBDBB-UHFFFAOYSA-N 367.493 3.747 0 1 FHAF CC[C@H]1C[C@H]2CN3Cc4c([nH]c5cc(OC)ccc45)[C@@](OC(C)=O)(C2)[C@H]1C3 2356432732 KJYMUDNOWXQGHJ-SXGZUBKSSA-N 368.477 3.817 0 1 FHAF CN1CCC([C@H]2CNc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 28392151 ZOXWMXLYVITJIL-LJQANCHMSA-N 353.441 3.929 0 1 FHAF CN(CCNC(=O)c1cc2ccc3cccnc3c2[nH]1)Cc1ccccc1 20575479 ACUURVSHWCSOPQ-UHFFFAOYSA-N 358.445 3.578 0 1 FHAF COc1cc(O)c2c(c1)OCc1c-2ncc2c(OC)c(OC)c(OC)cc12 15148202 VZGKIHSUBFSQFU-UHFFFAOYSA-N 369.373 3.534 0 1 FHAF biogenic C/C(=C/Cc1c(O)ccc(-c2cc3cc4c(cc3o2)OCO4)c1O)CO 219891011 UTQWTHAXMBKRPI-FUQNDXKWSA-N 354.358 3.721 0 1 FHAF CN(C)C(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 64527339 QGOCMYWLKNVDRG-UHFFFAOYSA-N 373.420 3.542 0 1 FHAF O=C(Nc1cc(Cl)ccc1O)c1cn(Cc2ccccc2Cl)nn1 40848738 AEEAXOVGIIUNPQ-UHFFFAOYSA-N 363.204 3.591 0 1 FHAF O=C(Oc1cccc(F)c1OC(=O)c1ccc(O)cc1)c1ccc(O)cc1 49109338 LAJHCQTZTRQFJG-UHFFFAOYSA-N 368.316 3.675 0 1 FHAF CC(C)NC[C@@H](O)C[C@](O)(c1ccccc1)c1ccc(C(C)(C)C)cc1 84740958 JNUMEIKEYHOYMY-GMAHTHKFSA-N 355.522 3.969 0 1 FHAF O=S(=O)(c1ccc(F)cc1)N1c2ccccc2-c2n[nH]cc2[C@@H]1C1CC1 45314795 MAZVAJBBINZFPI-IBGZPJMESA-N 369.421 3.876 0 1 FHAF COc1ccc(Cc2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1O 95591574 BOTLXQNBAJWCCK-UHFFFAOYSA-N 357.406 3.509 0 1 FHAF O=C(NC1CCCC1)c1cn2c3c(cccc3c1=O)OC[C@H]2c1ccccc1 95555775 FKTORJCFBBTXPW-IBGZPJMESA-N 374.440 3.656 0 1 FHAF CC1(C)CCC[C@]1(C)c1ccc(C(=O)OCC[C@@](C)(O)CC(=O)O)cc1 473135440 PMMJBYVOCQEGKR-NHCUHLMSSA-N 362.466 3.927 0 1 FHAF N=c1[nH][nH]c2cccc(-c3cccc(NC(=O)Nc4nccs4)c3)c12 473153089 YMUQVGLMLGFMRS-UHFFFAOYSA-N 350.407 3.743 0 1 FHAF CC1CCN(c2nc3c(c(Nc4cc(C(C)(C)C)[nH]n4)n2)CCC3)CC1 299869684 VCXSLLRDWAZZLU-UHFFFAOYSA-N 354.502 3.966 0 1 FHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(C(=O)O)c2[nH]1 587079018 FLOJYJOJSXGXRU-CYBMUJFWSA-N 354.797 3.638 0 1 FHAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 586921543 BZHFZZRRQSRVRD-UHFFFAOYSA-N 356.234 3.725 0 1 FHAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC[C@H]1CC(C(=O)OC)C2 587478108 HXZWJUAEKDMJJR-LZPWWVKNSA-N 358.434 3.658 0 1 FHAF O=C(NC12CC3CC(CC(C3)C1)C2)n1ncc2ccc(Cl)cc2c1=O 587652871 LTWFTYRLIRLQFZ-UHFFFAOYSA-N 357.841 3.576 0 1 FHAF COc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Cl 587171801 BJOLWQSFNLEUAC-SFHVURJKSA-N 360.772 3.992 0 1 FHAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1CCF 587557760 SSZLJARTSCVPGR-YLJYHZDGSA-N 368.364 3.570 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(F)cc3Cl)nn1)O2 587384416 CVVUESHURRONME-QGZVFWFLSA-N 372.787 3.657 0 1 FHAF CCOC(=O)[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587795267 IGEKLOVWQPCBIE-DIFFPNOSSA-N 372.278 3.927 0 1 FHAF CCn1nc(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587762931 HEZOYLXPVGIJLC-XXFAHNHDSA-N 352.251 3.737 0 1 FHAF N=c1[nH]c2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc-2c(Cl)[nH]1 587052279 ZUYKPZMVXUSEIU-NTSWFWBYSA-N 354.628 3.948 0 1 FHAF COC(=O)c1ccnc2[nH]c([C@H](c3ccccc3)c3ccc(OC)cc3)nc12 587937189 OCHQDHBUTLCOQO-GOSISDBHSA-N 373.412 3.933 0 1 FHAF COc1cc2c(cc1OC)[C@@]1(C=CN(C)c3ccccc31)N(C)[C@H](C)C2 962635793 MMTNKZMTQJXYQO-QRQCRPRQSA-N 350.462 3.787 0 1 FHAF COC1CCC2(CC1)Cc1ccc(-c3cccnc3)cc1[C@@]21COC(=N)N1 1772633028 GEYWBDIFOOXJFR-UDJZJCJKSA-N 363.461 3.630 0 1 FHAF COc1ccc(-c2csc(N3C(=O)c4ccc(F)cc4C3=O)n2)cc1 1772623509 DBLDSPQVPZLALV-UHFFFAOYSA-N 354.362 3.758 0 1 FHAF Oc1nc2c(c3nc(-c4ccccc4)cn13)CN(Cc1ccccc1)CC2 13492011 DMBQCSRARMDJRI-UHFFFAOYSA-N 356.429 3.660 0 1 FHAF Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1C(C)(C)C 167602498 LWLDGGCFJUIERW-UHFFFAOYSA-N 369.450 3.979 0 1 FHAF c1cn(-c2ccc(CN3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)cc2)cn1 168384971 GIHXRNSTPNLAOS-HXUWFJFHSA-N 372.476 3.825 0 1 FHAF Nc1nc(Nc2ccccc2)sc1C(=O)c1cc2ccccc2oc1=O 1658109 WZXNMGOIRGCGJJ-UHFFFAOYSA-N 363.398 3.806 0 1 FHAF CCCCO[C@@H]1CCC[C@H](C)OC(=O)c2c(O)cc(O)cc2CC(=O)C1 2356323086 HUNPRLTYJQUZDJ-SUMWQHHRSA-N 364.438 3.514 0 1 FHAF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4207016 VZKDFLWDDKQWQE-MJGOQNOKSA-N 372.852 3.585 0 1 FHAF CCCCC[C@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 29240098 OMZWQYNMKBPQOL-BPTKSNKRSA-N 369.505 3.740 0 1 FHAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4OC)C[C@@H]2N3)cc1 100101631 AJUWKMBVWYZYKK-ALWPKHFBSA-N 363.461 3.700 0 1 FHAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1)[C@H](O)C(C)(C)O2 26740330 MKZLNLDWNBISMJ-ROUUACIJSA-N 373.836 3.546 0 1 FHAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Br)s1)CN32 100969823 AZGJPBSOUXXLFR-BJYGNWLKSA-N 368.296 3.550 0 1 FHAF CCCc1cc(=O)oc2c(C)c(OCC(=O)n3nc(C)cc3C)ccc12 64532045 SWWGDJIDMWSKNK-UHFFFAOYSA-N 354.406 3.586 0 1 FHAF COCCNC(=O)[C@H]1CCCN(Cc2ccccc2-c2ccccc2)CC1 61903726 JJEQROKAKBSZLM-FQEVSTJZSA-N 366.505 3.718 0 3 FHAF CCc1c2c(nc3ccc(OC)cc13)-c1cc3c(CO)cccc3c(=O)n1C2 29126188 MFNWHPLASSIEPA-UHFFFAOYSA-N 372.424 3.642 0 1 FHAF CC(C)=CC[C@H](O)[C@H](C)CCCC(C)=CCC[C@H](C)C[C@@H](O)[C@H](N)CO 2356682925 ASNURABVVXFZSH-AHJNKEMKSA-N 369.590 3.943 0 1 FHAF CC(C)[C@@H]1CC[C@@]2(C)[C@H]3C[C@H]4[C@H]5CCC[C@@]4(O)[C@@]2(CCC(=O)O)[C@H]1N5C3 2356788595 XJVXLZXIMBRIAJ-NOLGVZBPSA-N 361.526 3.527 0 1 FHAF COC(=O)C[C@H](Oc1c(C)n(C)c2ccccc2c1=O)c1ccccc1 38142272 MZDVIJAIKZTPBH-SFHVURJKSA-N 351.402 3.530 0 1 FHAF COc1ccc([C@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(O)c1 14762878 OLQBBSLOQUEHDZ-OAHLLOKOSA-N 370.401 3.680 0 1 FHAF biogenic Cc1cccc(C)c1CNc1cc(-n2ncccc2=O)cn2c(C)c(C)nc12 40429118 LRZALAWCYDMOCP-UHFFFAOYSA-N 373.460 3.726 0 1 FHAF CCN(C(=O)CCc1ccc(OC)cc1)c1nnc(-c2cccnc2)s1 40011238 LSODQSKPMHQECN-UHFFFAOYSA-N 368.462 3.594 0 1 FHAF C[C@@H](Oc1cc(=O)[nH]c2ccccc12)c1cn(-c2ccc(Cl)cc2)nn1 95920568 LFRJWANYLNAGSH-GFCCVEGCSA-N 366.808 3.902 0 1 FHAF in-vitro CCN(CC)C(=O)Cc1c(-c2ccc(F)cc2)nc2c(C)cc(C)nn12 96168026 DARQBLUTJIXEJM-UHFFFAOYSA-N 354.429 3.563 0 1 FHAF CCCN(CCC)C(=O)c1cc2c(C(=O)OCC)ncn2c2ccccc12 653827901 FGBBLDNWJURCCL-UHFFFAOYSA-N 367.449 3.926 0 1 FHAF Cc1ncc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C)c1Br 586979484 NKTKWSZGCHHMRA-CQSZACIVSA-N 360.215 3.728 0 1 FHAF FC(F)=C(C[C@@H]1CCCN1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587088277 KSJUWKYWTFRNRM-YFKPBYRVSA-N 367.709 3.726 0 1 FHAF CCc1cc(O)nc(SCc2nc3ccc(OC(F)(F)F)cc3[nH]2)n1 586966864 PMRXOTYQRVXOLC-UHFFFAOYSA-N 370.356 3.812 0 1 FHAF CC(C)[C@@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583713 WYSYRYJUSNXEPN-WIYYLYMNSA-N 364.401 3.645 0 1 FHAF Cc1ncc2c(n1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584837 BENDFCBNCRTBQC-SIKLNZKXSA-N 374.396 3.684 0 1 FHAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc1O 587770426 QKWOAHPYOZXSGD-BJOHPYRUSA-N 351.219 3.621 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3cccn3)c(F)c1)O2 587382158 OXEINBWCXWTHHR-HXUWFJFHSA-N 351.381 3.783 0 1 FHAF C=C(C(=O)O)c1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O 587936324 BUROWHIBKHLHCG-UHFFFAOYSA-N 351.358 3.662 0 1 FHAF N=c1cc[nH]cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587248693 BFLUSPJNJOCAMO-UHFFFAOYSA-N 357.133 3.819 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC(=O)C[C@H]3C2)N1 587817986 OAJQBPRUGNPTGS-TVPBPMQISA-N 352.247 3.707 0 1 FHAF COc1ccc(S(=O)(=O)Cc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 586921135 YXSKNMAQNWSDOX-UHFFFAOYSA-N 358.463 3.843 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc([C@@H](C)O)s2)N1 587856832 ZBFWVMWBGXBCLP-WGZSSWNPSA-N 371.275 3.722 0 1 FHAF Cc1cnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 587000055 DZPXHTFVBUHQML-IHWYPQMZSA-N 372.222 3.970 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(CC)ccc21 587485798 QYTAYFHYNFQNLG-NRFANRHFSA-N 351.402 3.720 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1c(Cl)nc4ccccn14)[C@@H](C2)C3=O 587418862 DLEPQADCNRCBDU-BUXKBTBVSA-N 354.793 3.659 0 1 FHAF Cc1ccnc2c1CCN[C@]2(Cc1ccc(C(=O)O)cc1)c1ccccc1 963068673 CDBSTOQMLYHLTR-HSZRJFAPSA-N 358.441 3.720 0 1 FHAF CCc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)[nH]1 963175733 HIVCGTPTZWIODB-LSDHHAIUSA-N 372.774 3.938 0 1 FHAF O=C(COc1ccc(-c2ccc(F)cc2)cc1)Cn1nnc2ccccc21 1772584090 MPCLQIBFYJAHIE-UHFFFAOYSA-N 361.376 3.886 0 1 FHAF CCCC(=O)c1c2c(c3oc(=O)cc(CCC)c3c1O)C[C@@H](C(C)(C)O)O2 13461272 AHRWRZGWPYCGMI-AWEZNQCLSA-N 374.433 3.508 0 1 FHAF endogenous,in-man CC(=O)N1CC[C@@H](Cn2c(-c3cc(C)c(O)c(C)c3)nc3ccccc32)C1 1857612516 WNXOUMUVGJPLBZ-QGZVFWFLSA-N 363.461 3.894 0 1 FHAF Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 1359143 XMKBUBLGJDBLFD-LJQANCHMSA-N 351.450 3.616 0 3 FHAF O=C(Nc1ccccc1)C(Br)(C(F)(F)F)C(F)(F)F 3159295 OZTSHKLHKMEWQY-UHFFFAOYSA-N 350.056 3.883 0 1 FHAF biogenic CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215801 AOBKGJUWHPBGOH-QZHFEQFPSA-N 364.486 3.817 0 1 FHAF CCCN1CCc2cccc3c2[C@@H]1Cc1ccc(NS(C)(=O)=O)cc1-3 1911582459 AMDADTMHUSETIS-IBGZPJMESA-N 356.491 3.590 0 1 FHAF COc1ccccc1CN1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356290319 PIXOHDSMHOYPAQ-QGZVFWFLSA-N 356.397 3.565 0 1 FHAF COC(=O)C=Cc1ccc(Oc2cc(C=CC(=O)OC)ccc2O)cc1 2356302787 AZWDYQAXTFHTDF-UHFFFAOYSA-N 354.358 3.557 0 1 FHAF Brc1ccc2[nH]c(-c3cc4ccccc4n4nnnc34)nc2c1 103221186 APGNDYVIEJEFHU-UHFFFAOYSA-N 365.194 3.583 0 1 FHAF CCCCC[C@](C)(O)C=C[C@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O 2356550102 OMNFCPCBKCERJP-NEOGFGCTSA-N 368.514 3.865 0 1 FHAF CC(C)N[C@@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@@]21CCC(=O)N1CCCC1 2356847768 OZJOBIGXZFNENI-UDKICSLYSA-N 364.574 3.723 0 1 FHAF Cc1cccc(CN(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2ccccc2)c1 40952093 DLXCZGQIVQQTOM-UYAOXDASSA-N 352.478 3.543 0 1 FHAF CN1CC[C@]2(Cc3ccncc3)c3ccccc3N(Cc3ccncc3)[C@H]12 40845341 NQWMDCHHKKVXGW-GOTSBHOMSA-N 356.473 3.639 0 1 FHAF Nc1ccc(-c2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)c(F)c1 222435025 HQRWFKUVQLFJSA-UHFFFAOYSA-N 372.403 3.904 0 1 FHAF c1ccc(CNCc2ccc(CN[C@H]3CCCc4cccnc43)cc2)nc1 49087585 NVQPVMGRKSAJCF-QFIPXVFZSA-N 358.489 3.934 0 1 FHAF COc1ncccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 140183752 DEQYQMWHIOLQAU-UHFFFAOYSA-N 369.428 3.699 0 1 FHAF Cc1ccc(-c2c(C)nn3c(N(C)CCCN(C)C)cc(C)nc23)cc1 95561049 QUWCAAFHVKRTRL-UHFFFAOYSA-N 351.498 3.709 0 1 FHAF CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@@]3(O)/C=C(/C)CCC[C@@]12C 238787958 XQNCZSAVXBHWSC-GJIWZIAFSA-N 374.477 3.973 0 1 FHAF Cc1cc(Oc2cnc(C3CC3)nc2)cc(C(=O)Nc2ccc(F)cn2)n1 148266767 PVQVLUXDXQETGV-UHFFFAOYSA-N 365.368 3.636 0 1 FHAF CCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(C)cc2)c1C 653849015 YMVYDGUDPVDUGG-UHFFFAOYSA-N 350.422 3.844 0 1 FHAF CCOC(=O)[C@@H](c1ccccc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399917 MZWXTFGHIOFZOJ-NQIIRXRSSA-N 353.418 3.648 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCN(C)CC2)N1 587765748 DEZHQEWKEUJDFF-APPDUMDISA-N 355.295 3.679 0 1 FHAF Cc1nc(O)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609831 DQGWWPRDXYFXCA-KUHUBIRLSA-N 369.398 3.740 0 1 FHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cn1 587244840 LRLWXGWUJXJYJA-UHFFFAOYSA-N 366.421 3.771 0 1 FHAF Nc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cnc2c(F)cccc12 587176941 WSRKTVOQCAWCFK-UHFFFAOYSA-N 358.279 3.821 0 1 FHAF COC(=O)Cc1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1 587783318 NTPZGGZPIIYOMM-UHFFFAOYSA-N 363.186 3.847 0 1 FHAF CCCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352839 YJTCPSQAHXJHEU-FPOVZHCZSA-N 372.392 3.992 0 1 FHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1N 587575461 BWMQFQFFELCNGN-WIYYLYMNSA-N 363.369 3.686 0 1 FHAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccccn1)CC2=O 587470375 SXNNQHHHTHCKRG-KONDSOJQSA-N 352.434 3.676 0 1 FHAF CCN1C[C@H](C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347836 VDFRIIVSQCZHQX-LPLGYCIKSA-N 355.409 3.601 0 1 FHAF Cc1cc(Br)c(-c2nc3c(S)nc(S)nc3[nH]2)cc1F 587137679 FQBQCDLBULHEJE-UHFFFAOYSA-N 371.260 3.807 0 1 FHAF C=CC(=O)Nc1ccccc1Oc1nc(Nc2cnn(C)c2)ncc1Cl 584904829 QXQGHCJUTRTRLJ-UHFFFAOYSA-N 370.800 3.524 0 1 FHAF in-vitro CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cccc(CC)c21 587486662 SKUZVDXQLKYPGM-NRFANRHFSA-N 351.402 3.720 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1N1CCCC1)[C@@H](C2)C3=O 587424601 PXBZWFJYYWGJBJ-LHSJRXKWSA-N 353.393 3.923 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@]3(CCCC(=O)O)C1CCC1 963050875 DJVSTDJXYQXWGR-OAQYLSRUSA-N 354.450 3.639 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@H](c3cccc(-c4ccsc4)n3)c3cccc1c32 963025754 MQAUQWNCMCVFGD-SZNDQCEHSA-N 361.470 3.953 0 1 FHAF CCOC(=O)CCCC[C@]1(C(C)C)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023909 JAKBYLOAKXDZJY-KSFYIVLOSA-N 372.509 3.715 0 1 FHAF Cc1nccc2c1[nH]c1cc(OCCN3C(=O)c4ccccc4C3=O)ccc12 13587102 IHQIDVQNJQFWGJ-UHFFFAOYSA-N 371.396 3.700 0 1 FHAF CCCN(CCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1 169339949 LIUWRFHKSQCDOP-UHFFFAOYSA-N 353.510 3.821 0 1 FHAF COc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c1 201450328 RNFDVPUSDWSVAT-QGZVFWFLSA-N 373.840 3.984 0 3 FHAF CC(=O)[C@@H]1[C@H](N2CC2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857622480 YKAAPHAUSMBTTG-HNELQEGVSA-N 357.538 3.809 0 1 FHAF CCOCC=Cc1ccc2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 2356332778 IZWXWZBLJVFVIF-UTKZUKDTSA-N 356.418 3.660 0 1 FHAF CC(C)=CCc1cc(C(=O)O)cc2c1O[C@H]([C@](C)(O)CC=CC(C)(C)O)C2 2356349302 BTKLEVQOFPWVET-PGRDOPGGSA-N 374.477 3.665 0 1 FHAF CCCCC[C@H](O)CCN1C(=O)CS[C@@H]1CCCCCCC(=O)O 27098608 MAKBTMYLUUUASJ-DOTOQJQBSA-N 359.532 3.644 0 1 FHAF CC(C)OC(=O)c1cc(-n2sc3c(c2=O)CCCC3)ccc1Cl 103182052 MGZUNFFRAHNOGD-UHFFFAOYSA-N 351.855 3.996 0 1 FHAF COc1cc([C@@H]2CN=C(c3cccc4cc[nH]c34)O2)cc(OC)c1OC 27523818 RZRUWTFQUSHNHP-KRWDZBQOSA-N 352.390 3.712 0 1 FHAF O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1ccc(O)cc1 28884400 SIWQFOKGDOBJQD-UHFFFAOYSA-N 353.324 3.663 0 1 FHAF COc1cccc(CO[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(C)=O)c1 36381851 AJPWQTJSSAKUPS-FDFHNCONSA-N 368.429 3.840 0 3 FHAF c1ccc(Oc2ncnc3c2ncn3[C@@H]2COc3ccccc3CO2)cc1 40836466 QAUDEBVQHRNRLA-KRWDZBQOSA-N 360.373 3.726 0 1 FHAF CCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1 40566036 WRMKMRQOTNABKR-AWEZNQCLSA-N 369.377 3.607 0 1 FHAF Nc1ccccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 140215611 LOTIOUNCKIOAQV-UHFFFAOYSA-N 353.429 3.878 0 1 FHAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C 95912001 LDSAFYKZSKWMNQ-SRLNFEISSA-N 372.597 3.780 0 1 FHAF biogenic,in-vitro COc1cc(OC)c(C[C@H](C)[C@H](C)Cc2cc3c(cc2O)OCO3)cc1O 103237798 IQTGLBVEPWUBII-OLZOCXBDSA-N 374.433 3.901 0 1 FHAF biogenic COc1ccccc1-n1cc2nc(CCCc3ccccc3)nc(N)c2n1 653852913 JKHCHBLVGYHBMJ-UHFFFAOYSA-N 359.433 3.582 0 1 FHAF [O-][n+]1ccccc1SCc1nc2cc(Br)c(F)c(F)c2[nH]1 586968594 AZUIOOHHMZCHTN-UHFFFAOYSA-N 372.194 3.529 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1c(N)sc4c1CCC4)(C1CC1)[C@@H](C2)C3=O 587450585 GMOCDEDUVOXQKI-QKKBWIMNSA-N 367.470 3.881 0 1 FHAF C/C(=C\[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC1CC1 587739534 AMHMWLPNQZBXDJ-XIBALKQSSA-N 353.279 3.993 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4ccc(O)cc41)[C@@H](C2)C3=O 587452523 DPTGDDLSEDYZNW-BTYIYWSLSA-N 352.386 3.605 0 1 FHAF CCc1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587203806 UNWWIHWIZRAGKO-KRWDZBQOSA-N 367.405 3.568 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn3c(Br)cnc13)O2 587372530 MEFIQKCFJSHJHD-CQSZACIVSA-N 372.222 3.694 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N(C)C)s2)N1 587852718 HURMPAGSTPXVQH-CLAHSXSESA-N 370.291 3.734 0 1 FHAF COc1cc(OC)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587041726 PBSRRRHFMXDKCA-WBVHZDCISA-N 355.463 3.526 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nccnc1Cl 587655270 AHQQYAVJVMAWQI-UHFFFAOYSA-N 370.746 3.774 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2occc2C(=O)O)N1 587826589 FHCVJYOKPFWALG-UHLUBPPHSA-N 354.175 3.503 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(F)c1 587555692 RDINTLUTNJEHNZ-PXNSSMCTSA-N 352.317 3.940 0 1 FHAF COc1cc2c3c(c1)OC1(CCN([C@@H]4CCC[C@@H](C)C4)CC1)[C@@H](C2)C3=O 587434613 BRNRDIFBWBXIPB-KYJSFNMBSA-N 355.478 3.856 0 1 FHAF CC(C)[C@@]1(Cn2cccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587757748 HPUAENRYHYBUBI-YVEFUNNKSA-N 366.278 3.870 0 1 FHAF CCn1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587761644 BORDPYYFSSSVGH-FVMDXXJSSA-N 352.251 3.737 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1C[C@H]1C(=O)O)CC2=O 587491380 UUKGYHUAUNSPPP-HYFFOGBASA-N 366.413 3.926 0 1 FHAF Nc1cc(F)cc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558370 ROUAYVWRYZPFII-PXNSSMCTSA-N 369.323 3.956 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccoc1)CC2=O 587478670 HZBWFFWWVKJFIS-HXUWFJFHSA-N 358.390 3.752 0 1 FHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cncc(Br)c2[nH]1 587174221 GSTDACPIGLYKDV-GFCCVEGCSA-N 374.217 3.583 0 1 FHAF COc1ncccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584808 ARAFAVODHKKYPS-UTKZUKDTSA-N 363.369 3.673 0 1 FHAF COc1cnccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587771037 BDPVFQLPHBCZDP-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF CC[C@H](C(=O)OC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812368 YTSZTCZYXQQDDU-RDGWCUKFSA-N 358.251 3.537 0 1 FHAF Cc1nc2[nH]c(/C=C/c3ccccc3C(=O)O)nc2cc1Br 586882572 YGLZYSCUFHJEQM-VOTSOKGWSA-N 358.195 3.897 0 1 FHAF Cn1nc(C(F)(F)F)c([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1F 963095907 DVJWDWXFYPSWDW-HZMBPMFUSA-N 357.326 3.827 0 1 FHAF Cc1c(F)ccc2c1[C@](C)(CC(=O)Nc1ccc(N(C)C)cc1)NCC2 962377580 RUDJIDDRPRRWCK-NRFANRHFSA-N 355.457 3.590 0 1 FHAF COc1ccc(-n2nc(Sc3ccc(C)cc3)c(C)c(C#N)c2=O)cc1 139715517 YMRVCZZVGOWQDN-UHFFFAOYSA-N 363.442 3.881 0 1 FHAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc(OC)cc3)nc21 5841885 CQASHNCGZRXAQT-UHFFFAOYSA-N 360.417 3.900 0 1 FHAF O=C(O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 13580932 TVEHBRDXVINFRZ-UHFFFAOYSA-N 367.409 3.754 0 1 FHAF O=C1NC(=O)c2cc3c(cc21)N(c1ccccc1)CCN3c1ccccc1 13735562 DNRPTTQOSZQOGJ-UHFFFAOYSA-N 355.397 3.860 0 1 FHAF O=C(O)[C@@H]1CCCN(CCOCCn2c3ccccc3c3ccccc32)C1 13863084 HYOYZVXNWSKXSV-QGZVFWFLSA-N 366.461 3.608 0 1 FHAF CC[C@H](C)CNC(=O)CSc1nnc2scc(-c3ccccc3)n12 206492041 NVENHLAECATYSK-LBPRGKRZSA-N 360.508 3.712 0 3 FHAF Cc1nn(Cc2ccc(OCc3ccccc3)cc2)c(C)c1CC(=O)O 168949166 LMCYGJDUACNNJV-UHFFFAOYSA-N 350.418 3.754 0 1 FHAF CSc1nnc(CCCOC(C)=O)n1-c1ccc(Cl)cc1Cl 1857606275 ILZMNBQPPWNJHP-UHFFFAOYSA-N 360.266 3.792 0 1 FHAF O=C1CCCC=CC[C@H]2C(=O)C[C@@H](O)[C@H]2C=C[C@@H](CCc2ccccc2)O1 253634948 WWHYWVRAJPRWHZ-XWSHUIEDSA-N 368.473 3.784 0 1 FHAF COc1ccccc1CNC(=O)c1ccc2nc3c(cc2c1)CCS3 3029509 DJBGQVZJZRWQPF-UHFFFAOYSA-N 350.443 3.822 0 1 FHAF COc1cccc2c1C[C@@H](NCCCc1c[nH]c3ccc(F)cc13)CO2 28821543 ICGOJGSVVSAUBL-MRXNPFEDSA-N 354.425 3.842 0 1 FHAF Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cccnc1 118857470 YDGOIAYLQWVZCN-YLJYHZDGSA-N 364.493 3.705 0 1 FHAF O=C(O)c1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 27332421 IZSLPEMRMWOIHL-UHFFFAOYSA-N 358.349 3.929 0 1 FHAF COc1ccc([C@@H](N)c2csc(Nc3nncc4ccccc34)n2)cc1 61903130 VILBMNBTIJGLEL-QGZVFWFLSA-N 363.446 3.887 0 3 FHAF Cc1nnc(-c2ccc(N3CCC(Oc4ccccc4Cl)CC3)nn2)o1 28655439 OMSQDIJNINRTSG-UHFFFAOYSA-N 371.828 3.536 0 1 FHAF Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCNCC3)c2c1 34803999 ZIBLVNKKJPFIMY-UHFFFAOYSA-N 373.460 3.544 0 1 FHAF COc1ccc(CCNc2ccc(C(=O)Nc3ccccc3N)cn2)cc1 36338688 YIEZALBXLNXYSW-UHFFFAOYSA-N 362.433 3.579 0 1 FHAF CC(C)c1c(O)c2c(c3c1OCO3)C[C@]1(O)CCCC(C)(C)[C@H]1CC2=O 14758672 DTBDZSSMCMSRSI-SPLOXXLWSA-N 360.450 3.931 0 1 FHAF biogenic CC(C)[C@H](C)NC(=O)c1noc(-c2ccc(C(F)(F)F)c(F)c2)c1CO 72176673 NIUFMTYBABSXHC-VIFPVBQESA-N 374.334 3.766 0 1 FHAF COCCn1c(CC(C)(C)C)nc2c(NCc3ccccc3)ncnc21 82178716 ZUJYFTHOEMBIOB-UHFFFAOYSA-N 353.470 3.673 0 1 FHAF COc1cc(C(F)(F)F)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1 87723765 OULZYJCJGXXRLZ-QZTJIDSGSA-N 367.367 3.823 0 1 FHAF in-vitro C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCCC3)[C@H]2CNCCC)cc1 95871842 LLDQLROPYDLSNN-XKYACDCESA-N 370.537 3.565 0 1 FHAF C[C@@H]1CC[C@]2(C)[C@H](C(=O)O)CCC[C@]2([C@H]2C[C@@H](c3ccoc3)OC2=O)O1 238772499 INWZWHMIZIAHCP-JNJCUVBRSA-N 362.422 3.713 0 1 FHAF CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@H](C(N)=O)[C@H]2c1ccc(Cl)cc1 299872469 MPGYYTRANFDYAU-OFIKQIQMSA-N 360.885 3.611 0 1 FHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 587785053 KCVLKOZBVWCZSE-NEPJUHHUSA-N 372.222 3.664 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccn2C(F)F)N1 587713078 CAMGHKVSSPKGQR-KRTXAFLBSA-N 360.177 3.803 0 1 FHAF C[C@]1(c2cncnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346892 NWVIUQIWZFPJHT-UYAOXDASSA-N 350.349 3.596 0 1 FHAF COc1cccc(OCc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)c1 587781419 UXXKEHHMPHSHIR-UHFFFAOYSA-N 373.412 3.916 0 1 FHAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(F)F 587381208 CWXMZWWAZVXSGF-INIZCTEOSA-N 363.360 3.936 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc[nH]c2n1 587591024 UBFXDNNZAHYZOI-XLIONFOSSA-N 358.353 3.971 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)NCc1ccccc1Cl)O2 587379953 YYUKHZIFMQFEAN-HXUWFJFHSA-N 372.852 3.661 0 1 FHAF Nc1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576097 FUWDANOKXWOLOD-SIKLNZKXSA-N 359.381 3.778 0 1 FHAF FC(F)(F)c1ccn(CCc2nc3ccc(Br)cc3[nH]2)n1 587117502 CPFKFJCBLYXSDF-UHFFFAOYSA-N 359.149 3.783 0 1 FHAF CCCCOc1cc2nc(CC3CC(N)C3)[nH]c2cc1Br 587255604 RUYARKFYDFYDPE-UHFFFAOYSA-N 352.276 3.784 0 1 FHAF COC(=O)c1ccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2n1 587011939 OPDICSPZHFUHJB-UHFFFAOYSA-N 364.430 3.767 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC[C@H]3CCCO3)cc1)O2 587407181 ANLKOGHMYNPIPK-UZLBHIALSA-N 353.418 3.842 0 1 FHAF O=C(/C=C\c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)Nc1ccccc1 587244565 PPGUQFJWCFFWIG-SREVYHEPSA-N 367.718 3.629 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CC[C@H]2N3C)N1 587773546 ZNWHOKSTTKUNHU-PCYKNENESA-N 353.279 3.574 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(F)(F)F)N1 587707773 WTZKHXLPBPJHPS-WPPNPWJKSA-N 368.168 3.859 0 1 FHAF CN1CCC([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587342451 DWOJJZVTNKJUKR-IFMALSPDSA-N 369.436 3.991 0 1 FHAF CSc1nccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587843206 HNVHVPBOVAYGBW-RTHLEPHNSA-N 368.275 3.724 0 1 FHAF COc1ccc2c(c1OC)[C@@](C)(c1ccc3nn(C)cc3c1)N(C)[C@@H](C)C2 962617208 BUJZJAQEVARTMI-RCDICMHDSA-N 365.477 3.730 0 1 FHAF Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21NCCc2c(C(=O)O)cccc21 963135060 WCXGLNVGNNPDBI-XMMPIXPASA-N 369.420 3.675 0 1 FHAF Fc1cccc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)n1 962948601 ARFARTGHCXEGTA-QGZVFWFLSA-N 366.358 3.980 0 1 FHAF CS(=O)(=O)[C@H]1CCCC[C@]12c1ccsc1CCN2Cc1ccco1 962702518 AMWOBQLMNASCTQ-ROUUACIJSA-N 365.520 3.582 0 1 FHAF Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)no1 12300371 WRBVNQAJJRKFPO-MRXNPFEDSA-N 350.422 3.593 0 3 FHAF C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 12566106 GGJRFAZRJGVNHP-DNKTUBDUSA-N 367.917 3.802 0 1 FHAF CN(C)CCNc1nc(Nc2ccccc2)c2ncn(C3CCCC3)c2n1 13538695 ODHAWBQTVBHQON-UHFFFAOYSA-N 365.485 3.659 0 1 FHAF O=C(c1cc2ccc(O)cc2[nH]1)N1CCC(OCc2ccccc2)CC1 13554245 YVWXHNFHRRTTGD-UHFFFAOYSA-N 350.418 3.695 0 1 FHAF CC(C)NC(=S)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 13608335 QISMDQOOEJBZPX-GFCCVEGCSA-N 357.317 3.924 0 1 FHAF CC(C)Oc1ccccc1N1CCN(Cc2cccc([C@@H](C)O)c2)CC1 13743874 SVCXFQYPKFXEAC-GOSISDBHSA-N 354.494 3.849 0 1 FHAF CC1=CC[C@H]2CNC(=O)c3cc([nH]c32)-c2cccc3nc(C)c(nc23)NC1 1857627593 ASZCABSVZBJTKA-ZDUSSCGKSA-N 359.433 3.522 0 1 FHAF CC1=CC[C@@H]2[C@H](C)CC[C@@H]3[C@H](CC(=O)O)[C@H](O)[C@]4(C)CC(=O)[C@@H]1[C@H]4[C@]32C 2356381075 ZSUVPFNZNXWINV-HTHRQMNDSA-N 360.494 3.682 0 1 FHAF COC(=O)[C@@H](C)NC(=O)CCCCCCCC=CCCCCCC(=O)O 2356334541 JHECJXSLIKXCBD-QGZVFWFLSA-N 369.502 3.986 0 1 FHAF COc1ccc(C(=O)C[C@@H](c2ccccc2)C2C(=O)CCCC2=O)cc1 4115365 XVZRJSTYULWUJW-SFHVURJKSA-N 350.414 3.990 0 3 FHAF COc1cc2c(cc1OC)CN(C(=O)c1ccc3cc(O)ccc3c1)CC2 29063692 AYRZVGHKMPMVSE-UHFFFAOYSA-N 363.413 3.761 0 1 FHAF CC[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C(=O)[C@H](N)CC(C)C 100706980 YICPFUCSYSAEOE-ZJDLJICXSA-N 358.526 3.597 0 1 FHAF CC(=O)N(C(C)=O)c1nnc2c3ccccc3n(C)c2c1-c1ccccc1 27084326 WQAAVSJCYIEMLP-UHFFFAOYSA-N 358.401 3.688 0 1 FHAF COc1ccc2c(c1C)NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 28884540 GZADXGQIIJFSBT-UHFFFAOYSA-N 361.397 3.701 0 1 FHAF COc1ccc2nc(C)cc(-n3cc(CNC4CCCCC4)nn3)c2c1 64531954 XRUYFPIHDANCCI-UHFFFAOYSA-N 351.454 3.555 0 1 FHAF COCCCNC(=O)c1cnc(NC2CCCC2)nc1-c1cccc(C)c1 82145178 PUYGFABVXGXJTM-UHFFFAOYSA-N 368.481 3.573 0 1 FHAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4cccnc4)cc3=O)cn12 223392589 ZLWNDZOYYURDLP-UHFFFAOYSA-N 372.428 3.645 0 1 FHAF COc1cc(C(=O)c2nc(-c3ccccc3)c(C)[nH]2)cc(OC)c1OC 95581019 SFSUSNAHCRIQMV-UHFFFAOYSA-N 352.390 3.642 0 1 FHAF CCC(CC)Cc1ccc2c(c1)[C@]1(COC(N)=N1)C1(COC1)C1(CCC1)O2 149352818 VCGSYVUVMWKNOH-JOCHJYFZSA-N 370.493 3.537 0 1 FHAF CC(C)N(C[C@@H](O)COc1ccc(C(=O)c2ccccc2)cc1)C(C)C 96941823 DSVSHEDAIUINKW-HXUWFJFHSA-N 355.478 3.776 0 1 FHAF COC(=O)[C@@]12CCC[C@@]3([C@@H](OC)OC1)[C@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@@H]23 238742994 CFHDLAKXWKVAMW-PWFFDWDHSA-N 374.477 3.914 0 1 FHAF C[C@H](C(=O)N1CCOCC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 253683324 FUWLJSGPXZGUDM-BHYGNILZSA-N 373.518 3.744 0 1 FHAF COc1ccc(NC(=O)c2csc(Nc3cc(C)ccn3)n2)cc1OC 621429270 URHMTCGCCLLBNQ-UHFFFAOYSA-N 370.434 3.860 0 1 FHAF C[C@@H](Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O 653803262 DCCNWCBAKAPIQY-LBPRGKRZSA-N 365.351 3.899 0 1 FHAF CS(=O)(=O)c1cccc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 586924972 DGLIDVMYVLPOOS-UHFFFAOYSA-N 369.215 3.535 0 1 FHAF Cc1noc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587210 MUZGCDXGGRPEOS-PXNSSMCTSA-N 351.358 3.874 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc4c(cc31)OCCO4)CC2=O 587492646 RPTXKMYRXMFOGY-JOCHJYFZSA-N 366.413 3.923 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Cl)c(F)cc2[nH]1)C(C)C 586933663 VQNUYJSIRXKHDF-CQSZACIVSA-N 361.870 3.772 0 1 FHAF CCc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587163864 MEHPQWDWRDUROB-UHFFFAOYSA-N 350.397 3.542 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cncc(Cl)n1 587655452 HRDCSDYWAMZIMH-UHFFFAOYSA-N 370.746 3.774 0 1 FHAF C[C@@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)C=C(c2ccccc2F)NO1 587157017 QSEOGQUKHYMIMO-INIZCTEOSA-N 364.302 3.907 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(=O)c1ccc(Br)cc1)O2 587373178 RTKQGKCOEIHYPH-OAHLLOKOSA-N 360.207 3.556 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc[nH]c2n1 587591020 UBFXDNNZAHYZOI-FXAWDEMLSA-N 358.353 3.971 0 1 FHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(F)ccn2)N1 963189557 WYOAOPOACZWYIV-FZMZJTMJSA-N 374.721 3.581 0 1 FHAF CN1C(=O)C[C@H]2CN[C@@](C)(c3ccc(-n4cccc4)cc3)c3cccc1c32 963033212 QIKQBLNPSFBICL-HJPURHCSSA-N 357.457 3.794 0 1 FHAF Fc1ccc(N[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772657056 WDSQTCWUUXVUNZ-MQMHXKEQSA-N 350.401 3.883 0 1 FHAF COc1ccc(F)cc1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772652115 RIFXHMNBXNIWJB-INIZCTEOSA-N 356.353 3.799 0 1 FHAF CC(C)n1ncc2c(C(=O)Nc3ccncn3)cc(-c3cccs3)nc21 1772601227 MMYNPCSOAXCRRN-UHFFFAOYSA-N 364.434 3.783 0 1 FHAF CCNc1ccccc1N1CCN(C(=O)c2cc(C)c(OC)c(C)c2)CC1 5843667 XMLLIOZVIIUPJA-UHFFFAOYSA-N 367.493 3.706 0 1 FHAF CCOC(=O)c1c(N2CCN(C)CC2)nc2cccc3c2c1-c1ccccc1-3 13797131 RDIIVORDQKRPBM-UHFFFAOYSA-N 373.456 3.811 0 1 FHAF O=C(OCCc1ccccc1)c1cc2c(OC3CCNCC3)cccc2[nH]1 1857538170 GXBPIKPQCYWULY-UHFFFAOYSA-N 364.445 3.698 0 1 FHAF Cc1c([C@H](C)n2cnc3ncc(-c4cn[nH]c4)nc32)ccc2ncccc12 1857591258 KPRYUTIGJPKIRQ-ZDUSSCGKSA-N 355.405 3.682 0 1 FHAF CC(C)(C)NC(=O)c1csc([C@H](O)c2cccc(C(F)(F)F)c2)n1 1857603656 CJVBTFWAARGVBE-GFCCVEGCSA-N 358.385 3.772 0 1 FHAF C[C@@H](Cn1cc(-c2cccc(C(N)=S)c2)c2ccccc21)OC[C@@H](C)O 1857614959 ABAQNXPLLZCQAL-CABCVRRESA-N 368.502 3.728 0 1 FHAF C=C(c1ccc(OC(F)F)c(N)c1)c1cc(OC)c(OC)c(OC)c1 1857630621 CNNMSQTUVDFJKI-UHFFFAOYSA-N 351.349 3.958 0 1 FHAF CCC(C)(C)c1ccc(OCCCN2CCN([C@@H]3CCCO3)CC2)cc1 1857630749 LHYUQEXAICSENK-NRFANRHFSA-N 360.542 3.897 0 1 FHAF CNc1ccc(-c2nc3cc(OCCOCCOCC[18F])ccc3o2)cc1 103063720 UZMQIGLCNLQYDJ-GJQNQZCXSA-N 373.415 3.918 0 1 FHAF Cc1cc(Cl)ccc1Cn1cnc2c(N(C)C)nc(C(F)(F)F)nc21 29465861 RTTSYHOKJOELBY-UHFFFAOYSA-N 369.778 3.921 0 1 FHAF O=C(c1ccc(F)cc1)C1CCN(CC[C@H]2CC3=CC=C[C@H]3C2=O)CC1 26958888 ORQWPBKZZWESRN-AZUAARDMSA-N 353.437 3.812 0 1 FHAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccc(Br)cc1 2356320019 ZVTILUSQLGIBAF-XEZPLFJOSA-N 366.303 3.691 0 1 FHAF CN(C)CCCNC1CCN(CC(c2ccccc2)c2ccccc2)CC1 28125012 QTXFSTAXBJJLOK-UHFFFAOYSA-N 365.565 3.824 0 1 FHAF CS(=O)(=O)Nc1ccc2c(c1)[C@@H](c1ccccc1)Oc1cccc(O)c1-2 26179008 JNNJFIIQFCFXID-HXUWFJFHSA-N 367.426 3.913 0 1 FHAF Cc1ccc2nc(CO[C@H]3CN(Cc4ccccc4C)C[C@@H]3F)[nH]c2c1 2356697204 AGECQXWKVNLSJZ-PXNSSMCTSA-N 353.441 3.919 0 1 FHAF CC1=C[C@H](CNC(=O)COc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)O 2356855116 QZLKZEZPUNHQFN-SCTDSRPQSA-N 359.466 3.511 0 1 FHAF COc1cc2oc(=O)cc(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC 49110192 UODQAWGRVMFXFV-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C(C)C)C(=O)c1ccccc12 95568952 FTJLGAKSXJIGLZ-OFNKIYASSA-N 363.457 3.958 0 3 FHAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2cccc(F)c2)C1=S 95872352 LJDXQBZEOQHVSJ-UHFFFAOYSA-N 350.415 3.619 0 1 FHAF COc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@]3(C(F)(F)F)C2=O)cc1 28536232 LPKIBKLFJSUMMO-WMLDXEAASA-N 353.340 3.864 0 1 FHAF biogenic Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)cc1 473170122 QDDMZQCENBRXHC-UHFFFAOYSA-N 364.332 3.780 0 1 FHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)s1 587023681 TYXJCJBSLBSWNZ-UHFFFAOYSA-N 372.410 3.615 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccncc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426195 AFSFFNCKSOQRNE-AVRDEDQJSA-N 361.372 3.921 0 1 FHAF CCOC(=O)Cc1cccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401233 ULPPUDKCYQKBMT-QGZVFWFLSA-N 367.445 3.649 0 1 FHAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(C(C)(C)C)cc41)[C@@H](C2)C3=O 587442479 YDFVQEHZNFDBMN-NYHFZMIOSA-N 363.413 3.588 0 1 FHAF CS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587503338 GKUYGYFJBHIAGB-SFHVURJKSA-N 374.433 3.815 0 1 FHAF COc1c(F)cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1F 587135217 VKWLSHPEBIWHBC-UHFFFAOYSA-N 355.138 3.985 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2C(F)F)N1 587713995 DQFLISQNKVOTIW-CPFSXVBKSA-N 374.204 3.883 0 1 FHAF O=C1C[C@@H](c2cnc(C3OCCO3)s2)Oc2c1ccc1c2CCCC1 587535249 JRYVSDPBPQYJAY-HNNXBMFYSA-N 357.431 3.774 0 1 FHAF Cc1cnn(CCF)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558866 XTVPWQZRXFKKCO-UZLBHIALSA-N 368.364 3.570 0 1 FHAF COC(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587811900 XVQVVKJBWHAPJM-HWPZZCPQSA-N 358.251 3.537 0 1 FHAF Fc1cccc(Cn2nnc(-c3nc4ccc(F)c(F)c4[nH]3)c2Cl)c1 587161689 PJZYKUJUJACABX-UHFFFAOYSA-N 363.730 3.940 0 1 FHAF CCCOc1cc2[nH]c(/C=C/C=C\C(=O)O)nc2cc1Br 587966485 UZBACQRVGLDPFX-UZNMPDEFSA-N 351.200 3.768 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(Cc3ccc(Br)cc3C1)O2 587370221 CKUOWULEDBDYBU-GOSISDBHSA-N 358.235 3.843 0 1 FHAF CCOC(=O)c1cc(C)n(NCc2ccccc2Br)c1C 587941983 WTAUMGZNLNHUCN-UHFFFAOYSA-N 351.244 3.788 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COCc1ccccc12 587607162 GIFABHJETUEKGO-DENIHFKCSA-N 360.365 3.780 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(Br)c1N)[C@@H](C2)C3=O 587414928 ZAZCVMCDKIQHST-APPDUMDISA-N 360.207 3.529 0 1 FHAF COc1ccc([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1F 962768404 RJOZMVNKPXHHPC-QAPCUYQASA-N 367.342 3.744 0 1 FHAF CCc1ccc([C@@]2(C[C@H](C)CC(=O)O)NCCc3ccc(O)cc32)cc1 963330306 WOEZVXYQGXNEQK-IVZQSRNASA-N 353.462 3.845 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2OC)(C(=O)O)N1 962958946 VFFLVGDAGDMSES-IVZQSRNASA-N 364.445 3.623 0 1 FHAF CCn1cncc1-c1c[nH]c2c(F)cc(I)cc12 1857602818 HAULDNLFSXGWJR-UHFFFAOYSA-N 355.154 3.795 0 1 FHAF NS(=O)(=O)c1ccc(SCc2ccc(OC(F)(F)F)cc2)s1 1772649868 CIIKRYKPTGLWFM-UHFFFAOYSA-N 369.411 3.586 0 1 FHAF O=C(Nc1ccccc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C1CC1)N2 13123788 JXDAXXTYSDDKIL-JSGCOSHPSA-N 350.344 3.833 0 1 FHAF C[C@@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C(=O)C1 1857754954 LFXGWFKCPKGROF-CJNGLKHVSA-N 372.415 3.692 0 1 FHAF COc1cc2c(c(O)c1CC=C(C)C)C(=O)[C@H](c1ccc(O)cc1)CO2 1911575846 IPBIRRKJRZWWKK-INIZCTEOSA-N 354.402 3.974 0 1 FHAF CSc1ccc2c(c1)c(O)c(C(=S)N(C)c1ccccc1)c(=O)n2C 101259657 PCRLYICAYVXDLN-UHFFFAOYSA-N 370.499 3.778 0 1 FHAF CCOC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cccn3CC)cc1)N2 100875863 TUTFNCHCPZEQJC-YOUFYPILSA-N 352.478 3.962 0 1 FHAF CC1(C)[C@@H]2CC[C@]1(C)c1c2c(C(=O)N2CCOCC2)nn1-c1ccccc1 100472972 LPPFLTHBSKJODI-OPAMFIHVSA-N 365.477 3.520 0 1 FHAF CN1CC=C(c2cn(S(=O)(=O)c3ccccc3F)c3ccccc23)CC1 28121337 RGWXVGTYAZAAQA-UHFFFAOYSA-N 370.449 3.736 0 1 FHAF CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccccc2)O3)c1 61896369 ODEQUFXUGAVGJC-OAQYLSRUSA-N 372.424 3.571 0 3 FHAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@H]3NC(=O)NC(=N)[C@@H]32)cc1 64453870 CVWPPMKSHIKWNI-SLYNCCJLSA-N 373.412 3.605 0 1 FHAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC=CCCCCOC 2356564614 VWEVSUSNDAHANL-QGLKVJOYSA-N 354.531 3.605 0 1 FHAF CC(C)C(=O)CC[C@@H]1C(C(=O)O)=CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]12C 2356693070 WIPXPVFNXVTASQ-VTCANLHHSA-N 350.455 3.920 0 1 FHAF O=C(N[C@@H]1CC[C@@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66066654 OIGAFTWBRBUMAJ-GHMZBOCLSA-N 374.746 3.657 0 1 FHAF CN1[C@H]2C[C@H](O)[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 38155057 NRKFYDQWSIYFGJ-ZRNYENFQSA-N 359.416 3.667 0 1 FHAF CCOc1ccc(Nc2nc3cc(NS(=O)(=O)CC)ccc3o2)cc1 73298135 FOCNKLNTTBFICX-UHFFFAOYSA-N 361.423 3.732 0 1 FHAF OC1CCN(CC2CCN(CCC34CC5CC(CC(C5)C3)C4)CC2)CC1 72181045 FDYMJIZVWZZRAO-UHFFFAOYSA-N 360.586 3.762 0 1 FHAF COc1cc(C(=O)NCc2nc3ccccc3s2)ccc1-c1cn[nH]c1 221756938 RXSVZGCOKLDDER-UHFFFAOYSA-N 364.430 3.625 0 1 FHAF C[C@@H](C(=O)OCCO[N+](=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12 40974916 AKOHKZWHPPXXGH-SNVBAGLBSA-N 362.769 3.830 0 1 FHAF O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)cc1 42922107 GJGAZYGASNPFFE-UHFFFAOYSA-N 355.869 3.593 0 1 FHAF COCCn1c(C2CC2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181388 LXIALBACOSNKPO-UHFFFAOYSA-N 357.845 3.616 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 253654780 FHWOSRUUSHMKKA-YNNDZGMISA-N 356.466 3.595 0 1 FHAF C[C@H](O)[C@@H](C)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 253650582 FDCZUAWLCBAHKC-VWKPWSFCSA-N 373.928 3.648 0 1 FHAF CN(C)[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)nc3[nH]ccc23)CC1 299818568 AZYFULIKSODOBB-WKILWMFISA-N 350.470 3.986 0 1 FHAF O=C(NCc1ccccc1C(F)(F)F)c1ccc([C@H]2C[C@H]2C(=O)O)cc1 653807425 AWWROVFOHVYUCT-HUUCEWRRSA-N 363.335 3.824 0 1 FHAF COC(=O)CC[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587401285 VSHASYPYYOPZKP-OAQYLSRUSA-N 353.418 3.700 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1C(F)(F)F)CC2=O 587464655 VJFCRHTXGPFKAM-CQSZACIVSA-N 354.328 3.804 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccc(F)cc3)c1)O2 587384360 KUYIHWBKDLDSCA-FQEVSTJZSA-N 351.381 3.783 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(N(C)C)cc1 587871025 XFEYFQZGBQXNCU-UHFFFAOYSA-N 353.397 3.842 0 1 FHAF CCOc1ccccc1[C@](N)(c1nc2ccc(OC)cc2[nH]1)C(F)(F)F 587092487 NOATWJZENUJRGB-KRWDZBQOSA-N 365.355 3.735 0 1 FHAF Fc1cc(Br)cc2nc(Cc3csc4nccn34)[nH]c12 587040858 SPDLBWAXBTXTKI-UHFFFAOYSA-N 351.204 3.765 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)c3ccccc32)N1 587822797 MKPWFBUEDUDGQA-YPMLDQLKSA-N 360.226 3.952 0 1 FHAF Cc1oc2c(c1-c1nc3c(F)cnc(Br)c3[nH]1)C(=O)CCC2 586904388 UUSZGCCYDPZCBA-UHFFFAOYSA-N 364.174 3.947 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(OC)ccc2C[C@@H]1N=O 587469261 MDXRGLMEIZGGKS-PZJWPPBQSA-N 367.401 3.905 0 1 FHAF Sc1nnc(SCc2nc3cccc(Br)c3[nH]2)s1 587026547 ZBQCOOOEDSTABJ-UHFFFAOYSA-N 359.299 3.758 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(CN4CCCC4)cs1)[C@@H](C2)C3=O 587449879 FIEWUYRCBCZTGB-YWZLYKJASA-N 355.459 3.841 0 1 FHAF O=S(=O)(c1ncccc1-c1nc2cc(Cl)ccc2[nH]1)C(F)(F)F 587127361 RDJBQAYWRPGCDO-UHFFFAOYSA-N 361.732 3.572 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cccc(C)c1C)O2 587387844 SVQPONAQBBFNTH-NRFANRHFSA-N 352.434 3.947 0 1 FHAF COC(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1OC 587018340 ZWHLRWMMAQAQEZ-UHFFFAOYSA-N 369.402 3.665 0 1 FHAF CCOC(=O)[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587794142 GBMZXAMLICUUJT-KCWFYHRYSA-N 358.251 3.537 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccn(CC4CCCCC4)n1)[C@@H](C2)C3=O 587432471 PAVCUKUVVOEWPZ-KKSFZXQISA-N 352.434 3.961 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC2(C(=O)O)CCC2)N1 587827091 NLCWHOCKVRUNPR-QLJPJBMISA-N 370.262 3.983 0 1 FHAF CC(C)(C)OC(=O)N1CC(O[C@@H]2Cc3c2nc2cccc4c2c3CC4)C1 587212881 RTJRCWYZTGPUTD-QGZVFWFLSA-N 352.434 3.567 0 1 FHAF CC(C)n1cncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575553 FQOPMRREVMXGAL-PXNSSMCTSA-N 350.374 3.873 0 1 FHAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCCC1 587395856 OUWPRXJFSOFKFS-OAQYLSRUSA-N 366.461 3.888 0 1 FHAF Cc1cc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2c(C)n1 587122840 DXNWRUSSMZPATR-PELKAZGASA-N 350.348 3.746 0 1 FHAF O=S(=O)(/C=C/c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1 586924087 GSDVPCUBSKOEKE-VOTSOKGWSA-N 354.765 3.939 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cccnc2[nH]1 587592890 ZALRIPCUSHKRFH-PXNSSMCTSA-N 358.353 3.971 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cnccc2[nH]1 587592441 YRYKTZCSJDWJQO-NQIIRXRSSA-N 358.353 3.971 0 1 FHAF Cc1ccc([C@]2(c3ccccc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cn1 963035127 WIYRQCNZTBKGEU-OSPHWJPCSA-N 369.468 3.735 0 1 FHAF Cc1ccc(-c2ccccc2[C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)o1 963494212 YJSILVASWSTULP-UWJYYQICSA-N 363.413 3.957 0 1 FHAF COc1cc2cc(/C=C/[C@H](C)O)c3c(c2cc1OC)C[C@H]1CCCN1C3 6019955 HIVKDOZRSFLVCE-PRDNVKDRSA-N 353.462 3.772 0 1 FHAF C[C@@H]1N=C(c2ccccc2)c2ccccc2N(CCCCC(=O)O)C1=O 1772652651 FOFPAMIXQUGXDZ-HNNXBMFYSA-N 350.418 3.514 0 1 FHAF O=C(NCCc1nc(-c2cccc(F)c2)cs1)N1CCC(F)CC1 1772656752 VCDCEHUGBRJGHA-UHFFFAOYSA-N 351.422 3.635 0 1 FHAF Cc1cc(C(=O)O)nn1Cc1c(Cl)ccc2cc(-c3ccccc3)nn12 1772616836 MEAWVTYYMPXMHA-UHFFFAOYSA-N 366.808 3.906 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1cc3cc(CO)oc3cc1[C@@H](O)CC2 1772616927 PGOYKKNSEFAFGI-INIZCTEOSA-N 370.401 3.598 0 1 FHAF COc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5891340 FULJBQXLEWYDHD-UHFFFAOYSA-N 354.193 3.752 0 1 FHAF Cc1onc(-c2ccccc2Cl)c1C(=O)c1ccc(O)c(C(=O)O)c1 13606969 NSCWRVACCREZFT-UHFFFAOYSA-N 357.749 3.938 0 1 FHAF O=C1N(Cc2ccccc2)C(=S)NC1(c1ccccc1)c1ccccc1 13642218 SPASZMXBJPMEMZ-UHFFFAOYSA-N 358.466 3.847 0 1 FHAF O=C1CCCN1c1cccc(NC[C@]2(c3ccc(F)cc3)CCOC2)c1 19146310 YDHKBUUVNHAULO-OAQYLSRUSA-N 354.425 3.723 0 1 FHAF Cc1ccc(F)cc1NC[C@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 1857539396 YGYMDVHVGFHKGL-WMZOPIPTSA-N 362.470 3.633 0 1 FHAF CCOC(=O)C1=C(N)Oc2cc(N(C)C)ccc2[C@H]1c1cccc(Cl)c1 1857654870 HOVOUHOEFAJXSB-QGZVFWFLSA-N 372.852 3.664 0 1 FHAF CC(C)(C)c1noc(-c2ccoc2)c1C(=O)N[C@H](CO)Cc1ccccc1 775768 UDYUQQRTPHHRLU-INIZCTEOSA-N 368.433 3.566 0 1 FHAF CNc1cccc(CCOc2ccc3c(CCC(=O)O)csc3c2)n1 1491430 YJJAVNJAKKVPJI-UHFFFAOYSA-N 356.447 3.977 0 1 FHAF NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)c3ccccc3C2)cc1 3814575 LVCISLFBKIUEBD-UHFFFAOYSA-N 365.429 3.988 0 1 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N1CCOCC1 4216471 SNVUVMVCBOOZCU-IAGOWNOFSA-N 350.484 3.621 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccccc1Cl 100703059 GUASGNVYEZEVSS-COOUDCDJSA-N 361.785 3.585 0 1 FHAF C[C@@H]1C(=O)C[C@@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C 102191821 XVYFFIJITDUPCR-HWPFHSGUSA-N 353.506 3.922 0 1 FHAF CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)C(c2ccc3ccccc3c2)=N1 103167624 OMQGSYNTWXMEDJ-IBGZPJMESA-N 358.397 3.919 0 1 FHAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@H](CC[C@H]32)[C@@](O)(CO)C4)C1(C)C 103580861 LSVUFTORLSKOSP-JSTITMOMSA-N 364.526 3.684 0 1 FHAF biogenic,in-vitro O=C(Cc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12 29123911 YNEQATXCSOTUFM-UHFFFAOYSA-N 369.384 3.719 0 1 FHAF CCOC(=O)NC[C@@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 26189175 IKAHVYXTWBSOFQ-HXUWFJFHSA-N 366.417 3.593 0 1 FHAF C[C@@H]1Oc2c(-c3ccc(O)cc3)cnc(O)c2[C@@H]2[C@H](C)[C@@H](O)[C@H](C)C[C@H]12 2356723186 AUGZUCOCYQVSPC-JHMOTNFLSA-N 355.434 3.677 0 1 FHAF C[C@@]1(COC(=O)c2ccco2)Cc2ccccc2CN1C(=O)c1ccco1 72184172 UUYGZOQEXGAKDI-NRFANRHFSA-N 365.385 3.687 0 1 FHAF O=C(N1CCCCCC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 95577166 LLGYXBBXJKQNSU-UHFFFAOYSA-N 360.845 3.785 0 1 FHAF CCOC(=O)CCCN(C)[C@]1(c2ccccc2Cl)CCCCC1=O 96911385 MLQTZSYHBXPNKI-IBGZPJMESA-N 351.874 3.954 0 1 FHAF CN(c1cccc(-c2cccc(O)c2)c1)S(=O)(=O)c1ccc(F)c(O)c1 96285188 IHWGKAPGEIXWAJ-UHFFFAOYSA-N 373.405 3.729 0 1 FHAF Cc1cccc(C)c1N1CCN(CC[C@@H](OC(N)=O)c2ccccc2)CC1 95578465 RHQVQAMQVAIHOE-HXUWFJFHSA-N 367.493 3.652 0 1 FHAF NC1=N[C@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)C[C@H]2CCS1 95589213 WQDXYYJHDFSNIX-XIKOKIGWSA-N 372.881 3.654 0 1 FHAF CN(C(=O)Cn1c(=O)n(C)c2ccc(-c3ccccc3)cc21)c1ccccc1 95592429 KWRWRRZPFCLHLS-UHFFFAOYSA-N 371.440 3.670 0 1 FHAF COC(=O)c1cc2cc(CC(=O)c3ccccc3Br)cnc2[nH]1 96175129 JSHMTNPLEZOWRC-UHFFFAOYSA-N 373.206 3.537 0 1 FHAF C=C(CCCC(C)(C)O)C(=O)CC[C@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1 85566944 VQXVFFWQWCQNFB-XAUMDUMWSA-N 370.486 3.512 0 1 FHAF biogenic CCCOc1ccn2c(C(C)=O)cc(-c3cc(C(=O)OC)ccn3)c2c1 653808113 MMQPKTQKPVEEAO-UHFFFAOYSA-N 352.390 3.779 0 1 FHAF CC(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587700312 ALEQVOARZOLOCQ-UHLUBPPHSA-N 368.168 3.859 0 1 FHAF CCn1cc([C@@]2(CC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587765801 UHDBUYSATSNAPA-APPDUMDISA-N 366.278 3.992 0 1 FHAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(F)cc(F)c2[nH]1 587065158 LLRKVFNJGVISTL-UHFFFAOYSA-N 352.724 3.895 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ncccn4)cc1)[C@@H](C2)C3=O 587435882 JTRRFDQDBUBICF-JXFKEZNVSA-N 360.369 3.766 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1cnn4-c1ccccc1)[C@@H](C2)C3=O 587433158 VIRVTZOTEQOUES-SBUREZEXSA-N 372.424 3.860 0 1 FHAF CCN(CC)C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587742595 SHXPITFHXGWOHT-GTNSWQLSSA-N 371.294 3.596 0 1 FHAF CCCCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2ccc([C@H](C)CC)cc12 587641828 HRQXNEVCDHMMEH-AUUYWEPGSA-N 370.493 3.998 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Cl)cc(F)c3[nH]2)c1 586922477 OQYZBGAKYFNZEP-UHFFFAOYSA-N 352.818 3.740 0 1 FHAF NC(=O)/C(=C/c1ccccc1O)c1nc(-c2ccc(F)c(F)c2)cs1 587921950 DIPQYBHXHNOXOL-GHXNOFRVSA-N 358.369 3.820 0 1 FHAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(=N)[nH]cc3[nH]2)c(F)c1 587143802 ANHQQKLJBRDYLY-UHFFFAOYSA-N 362.364 3.850 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn3cc(Br)ccc3n1)O2 587371464 FRCMKZFESQJVST-HNNXBMFYSA-N 372.222 3.694 0 1 FHAF N[C@@H]1CC[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C1 587246442 KDIAZCJUVYOPED-NKWVEPMBSA-N 364.165 3.819 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(Cn1ccc(C(F)(F)F)n1)CC2=O 587463434 AEDUARGMRNNAKF-QGZVFWFLSA-N 368.355 3.984 0 1 FHAF Cc1cnc(Cl)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc12 586998259 ZWARNNRJPROROH-LLVKDONJSA-N 365.662 3.925 0 1 FHAF O=C1C[C@@H](c2nc3cc(F)cc(F)c3[nH]2)CN1Cc1ccc(F)cc1F 587149190 MZCDQBVFRBHAKK-SNVBAGLBSA-N 363.314 3.635 0 1 FHAF Cc1c(Br)cnc2[nH]c(-c3cnc4c(F)cccc4c3N)nc12 587175992 DSCRALAKQLFURX-UHFFFAOYSA-N 372.201 3.965 0 1 FHAF CCn1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587763281 IUNJZFXZAYODFV-FVMDXXJSSA-N 352.251 3.737 0 1 FHAF COc1cccc2cc3c(nc12)[C@]1(NCC3)[C@@H]2CC=C[C@H]2C1(Cl)Cl 963047419 PYMUQASWTLUDMD-HBUWYVDXSA-N 361.272 3.964 0 1 FHAF COc1ccc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c(N)c1OC 963105004 MMBXGJGUOBVKNX-BTYIYWSLSA-N 356.441 3.709 0 1 FHAF COc1ccc([C@]2(c3ccc(C)cn3)NCCc3c(C(=O)O)cccc32)cc1 963136079 XPYRSVJPKGMDNS-QHCPKHFHSA-N 374.440 3.534 0 1 FHAF Cc1c(CNc2ccc3c(c2)Cc2ccccc2-3)cnc2nc(N)nc(N)c12 5891498 CJEKYVLLXPZBHW-UHFFFAOYSA-N 368.444 3.681 0 1 FHAF O=C(Cc1ccccc1C(F)(F)F)N1CCCC[C@H]1CN1CCCC1 13861047 HSPFUIOJKZSLQI-INIZCTEOSA-N 354.416 3.725 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CN(Cc3ccccc3)C1)C2 1857628260 DLJSHNAEXBWGDQ-SFHVURJKSA-N 351.446 3.581 0 1 FHAF CCOc1ccccc1O[C@H](c1ccccc1)[C@@H](OC)C1=NCCN1CC 2356318783 YPNVONJTSSWPPO-NHCUHLMSSA-N 368.477 3.954 0 1 FHAF Cc1c(C(=O)NCc2cccnc2)oc2ccc3c(c12)[C@@H](O)CC(C)(C)O3 6901038 LDYLDBOPIYTCDC-AWEZNQCLSA-N 366.417 3.661 0 1 FHAF CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occc3[C@H](OC(=O)C(C)C)[C@@]2(C)[C@H]1C 2356432851 ONVLUVLKVLKOKM-DYMBAGSASA-N 362.422 3.700 0 1 FHAF c1ccc(Oc2ncccc2-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)nc1 28564316 UABYAGLQDSDGID-UHFFFAOYSA-N 374.360 3.526 0 1 FHAF COC(=O)[C@@]12CCC[C@@]3(C=N[C@@H]1OC)[C@@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@H]32 2356488959 FGFRIRFLGOVJNW-ASDBPUCGSA-N 371.477 3.968 0 1 FHAF O=C1/C(=C/c2ccc(F)cc2)CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 84668659 MGMNYYKFIGONDM-ORBNHADYSA-N 354.469 3.704 0 1 FHAF O=C1NCCn2cc(-c3cccc4ccc(Nc5cccnc5)nc34)cc21 222340232 CMJKTDGFDREUGD-UHFFFAOYSA-N 355.401 3.585 0 1 FHAF O=C(Cc1ccc(Cl)cc1Cl)N[C@H]1COc2cnc(Cl)cc21 146591710 KOLYAMUCGBXOAR-LBPRGKRZSA-N 357.624 3.834 0 1 FHAF COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)cc1 149856355 CUQGMLWXJHUOGX-UHFFFAOYSA-N 350.443 3.920 0 1 FHAF Cc1cc(Nc2nccc(-c3ccccn3)n2)cc2cc(C(=O)N(C)C)[nH]c12 144234061 QJWUUVWXDVBNPQ-UHFFFAOYSA-N 372.432 3.774 0 1 FHAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(O)ccc3Cl)nnc12 145726395 SCPBTWMZLCCZTO-UHFFFAOYSA-N 351.797 3.884 0 1 FHAF COc1cc(/C=C/c2cn(/C=C/c3ccc(O)c(OC)c3)nn2)ccc1O 653812630 JYHBKVQXHBIGPJ-YGTBBBQQSA-N 365.389 3.505 0 1 FHAF O=C1Nc2ccccc2[C@]12ON=C(c1ccccc1)N2c1ccc(F)cc1 653851621 FXMRIISFEPIPNJ-NRFANRHFSA-N 359.360 3.829 0 1 FHAF O=C(O)c1cccnc1SCc1nc2cccc(C(F)(F)F)c2[nH]1 586966919 LGBYGBRVADOJLB-UHFFFAOYSA-N 353.325 3.967 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCn2cccn2)N1 587755621 BCNUIZPVTIZIPJ-BDJLRTHQSA-N 352.251 3.624 0 1 FHAF FC(F)(F)c1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cn1 587076334 QHKSJYMPMQVVSJ-UHFFFAOYSA-N 364.718 3.878 0 1 FHAF COc1cnccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587771041 BDPVFQLPHBCZDP-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF Cn1cncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345155 YOYRZTSSNAUESX-ICSRJNTNSA-N 352.365 3.539 0 1 FHAF COc1cc(OC)c2[nH]c(-c3ncc(Br)cc3F)nc2c1 587157383 KDDJINYOMUTCAM-UHFFFAOYSA-N 352.163 3.544 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2N)N1 587725239 CNPWPTPEDZCXIK-ZKANADHPSA-N 353.210 3.933 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C3CC3)nn2C)N1 587763641 KTHUBSIFEIPLOS-VVVCHXIZSA-N 364.262 3.823 0 1 FHAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O 587810518 XSPMQFZRDIMEMX-XYZCENFISA-N 366.230 3.926 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(C)c1C(F)(F)F)CC2=O 587464790 YREYZPYBRBMZFB-CQSZACIVSA-N 354.328 3.804 0 1 FHAF CCn1cc([C@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517726 TUEDGKKXENTJEB-GJCOWUBNSA-N 365.477 3.718 0 1 FHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587069342 JCLXNOOHUAKVMN-JTQLQIEISA-N 354.763 3.915 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)OCCN3C)CC2=O 587475121 MFVKJLMFZMETKK-IBGZPJMESA-N 353.418 3.880 0 1 FHAF N[C@@H](N=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076916 OZBWCYBWPCEGNX-HOTGVXAUSA-N 355.785 3.557 0 1 FHAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cn(CC(F)(F)F)c3ccccc13)C2 1772653399 XKDRLGAYOKCTLS-STQMWFEESA-N 366.383 3.986 0 1 FHAF C[C@@H]1CCCN([C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)C1 13133519 XEGOBYSRTDSXFT-FOIQADDNSA-N 352.434 3.827 0 3 FHAF O=c1[nH]c(O)c(Cc2ccc(Oc3ncccc3C(F)(F)F)cc2)s1 169722688 YZDQEUVMMIGQMB-UHFFFAOYSA-N 368.336 3.939 0 1 FHAF COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3C(F)(F)F)oc12 1857547071 DTSQWXCFTBJZHK-UHFFFAOYSA-N 352.264 3.899 0 1 FHAF CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@@H](C)N[C@H]2C 1857576231 LEAHJAIHLLRHKK-BDAKNGLRSA-N 358.492 3.973 0 1 FHAF CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2466680 ZEGFHYHEFJVNMT-NHCUHLMSSA-N 362.473 3.686 0 1 FHAF O=C(c1cccs1)N1CCN(C(=O)c2ccco2)c2ccccc2C1 2930769 HUJUGQUEMANNHL-UHFFFAOYSA-N 352.415 3.644 0 3 FHAF Cc1ccc(S(=O)(=O)N(c2ccccc2F)[C@H]2CCCC[C@@H]2O)cc1 6041638 RDEWYSPZHTYTSS-OALUTQOASA-N 363.454 3.633 0 1 FHAF CC(C)(C(=O)O)[C@H]1CC[C@]23C[C@@H](CC[C@@H]2[C@@]1(C)CC(=O)O)[C@@]1(C)O[C@@H]31 100782197 QGTMYAPGXJWNQR-DDUHEJMTSA-N 350.455 3.562 0 1 FHAF endogenous,in-man CN(C)[C@H]1C[C@H](c2c[nH]c3ccc(CC(=O)NCc4ccccc4)cc32)C1 102177922 HAELKXOQQMRYKK-KDURUIRLSA-N 361.489 3.834 0 1 FHAF Brc1cnn2c(NCc3cccnc3)cc(-c3ccco3)nc12 28959025 ODXFLRSMORNOLT-UHFFFAOYSA-N 370.210 3.759 0 1 FHAF O=S(=O)(NC1[C@@H]2CC[C@@H]1Cc1ccccc1C2)c1ccc(Cl)cc1 101007331 SFQFCLCHGLZBPQ-HZPDHXFCSA-N 361.894 3.812 0 1 FHAF O=C1Nc2cc(C(F)(F)F)ccc2[C@@]1(O)c1c(O)ccc2ccccc12 29317531 DUTIEFRXZWLKBA-GOSISDBHSA-N 359.303 3.752 0 1 FHAF N=C(N)c1ccc(-c2ccc([C@H]3CC[C@](O)(CC(=O)O)CC3)cc2)cc1 100900118 YYOUDKMRLHTEAK-UEDWGHLCSA-N 352.434 3.501 0 1 FHAF CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 28465383 ARMHUQQMXHTFEW-KRWDZBQOSA-N 354.475 3.515 0 1 FHAF CCC[C@H](C[C@@H](CCc1ccc(OC)c(OC)c1)OC(C)=O)OC(C)=O 15256893 RZUBQNIFCCXJPU-QZTJIDSGSA-N 366.454 3.690 0 1 FHAF biogenic O=C1c2ccccc2CN1CCCCCN1CCN(c2ccccc2)CC1 40949677 FXFDVFQJMPRXPK-UHFFFAOYSA-N 363.505 3.635 0 1 FHAF COc1nc(S(=O)(=O)c2ccccc2)cc(O)c1Sc1ccccc1 40848056 DGGHTFYZAIDMDO-UHFFFAOYSA-N 373.455 3.780 0 1 FHAF CCCc1nc2c(NCc3cccs3)ncnc2n1C[C@@H]1CCCO1 82178139 ILHSLXOWLSQPQJ-ZDUSSCGKSA-N 357.483 3.631 0 1 FHAF c1ccc(OC[C@@H]2[C@H]3CN(Cc4nc5cccc6c5n4CCC6)C[C@H]32)cc1 253668591 YNRYFNKQPSKVQR-PMOLBWCYSA-N 359.473 3.739 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Cl)c(F)cc3[nH]2)c1 586922873 UPFGHIHCEFZCCD-UHFFFAOYSA-N 352.818 3.740 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCSCC4)cc1)[C@@H](C2)C3=O 587454506 XUIJPDDRZFXZAT-UWJYYQICSA-N 367.470 3.737 0 1 FHAF Cc1ccnc2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc12 587019748 VBIWPGHYVHMBPQ-UHFFFAOYSA-N 355.448 3.627 0 1 FHAF Cc1nc(C)c(Cc2nc3ccc(I)cc3[nH]2)s1 587011057 BHLOUJQIADCPBT-UHFFFAOYSA-N 369.231 3.832 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)C(F)(F)F)cc1)[C@@H](C2)C3=O 587422347 TXZIFPWVFWBODU-SUMWQHHRSA-N 362.303 3.929 0 1 FHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(Cl)ncnc2[nH]1 587201891 YGULGDRICDWRHQ-UHFFFAOYSA-N 353.854 3.587 0 1 FHAF COC(=O)C1=C[C@@]2(CCC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587808738 PDBGRYKUKUQOQJ-DYZYQPBXSA-N 368.246 3.601 0 1 FHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(CO)cc2[nH]1 587258707 RAIRDPFTXRQJSG-SFHVURJKSA-N 374.444 3.627 0 1 FHAF CC(=O)O[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351289 UCNSXABOCWQGGB-RTXGADQUSA-N 358.365 3.601 0 1 FHAF COc1ccc(/C=C/Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)c(OC)c1 587928434 CLDNBMIHHYNFSH-GNAXCBTBSA-N 352.394 3.560 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(F)cc3[nH]2)cc1 587042921 NNNKERTXTXWCTG-QGZVFWFLSA-N 371.437 3.989 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(C[C@H](N)c3ccccc3Cl)nc2c1 587058384 UUBSIHVZJPLTIY-ZDUSSCGKSA-N 364.232 3.899 0 1 FHAF CN(C)C(=O)c1cc(F)c(-n2nc3cc2Oc2ccc(F)cc2-3)c(F)c1 587873567 DYGKTXGVCXOWLH-UHFFFAOYSA-N 359.307 3.764 0 1 FHAF C[C@]1(c2cnc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551107 CZRRTESWRMNYCX-VQIMIIECSA-N 368.776 3.713 0 1 FHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2scnc2C2CC2)N1 962964229 JRYXAOVEDVAFDS-YGRLFVJLSA-N 370.808 3.640 0 1 FHAF COc1cccc([C@]2(CCCC(=O)O)NCCc3ccc(F)c(C)c32)c1 962086927 BGVNTYCVYUVBGR-NRFANRHFSA-N 357.425 3.787 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2C12CCN(CC(=O)OC(C)(C)C)CC2 963259019 QOMSWHCREDDUAF-GOSISDBHSA-N 372.553 3.976 0 1 FHAF Oc1ccc(-c2c[nH]c3ncc(-c4ccc(-c5nn[nH]n5)cc4)cc23)cc1 1772582249 XVVPNHZWUXCHJE-UHFFFAOYSA-N 354.373 3.783 0 1 FHAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 822800 UTYYWKJUOSJCDE-BZUPMSHVSA-N 356.381 3.806 0 1 FHAF C[C@]12CC[C@H]3c4ccc(OC(=O)CCC(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O 3983990 VSHNBNRUBKFQCR-SUWCGCSTSA-N 370.445 3.882 0 1 FHAF in-vitro CCCN(C(=O)Nc1cc(C)on1)c1ccc(OC(C)(C)C(=O)O)cc1 103242856 PJIQWIFSBIZVSV-UHFFFAOYSA-N 361.398 3.674 0 1 FHAF COc1ccc2[nH]c(C)c/c(=N/c3ccc(C4=NNC(=O)C[C@@H]4C)cc3)c2c1 29061662 VOPBUNPBZSREFQ-ZDUSSCGKSA-N 374.444 3.577 0 1 FHAF COc1ccc(C[C@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1OC 22459515 RUHWVLHBRRIXHH-HXUWFJFHSA-N 354.494 3.543 0 1 FHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](CCCO)(c1ccccc1)C(=O)N2 219429884 CEZPKJQKWMUCGW-JOCHJYFZSA-N 362.429 3.969 0 1 FHAF COc1ccc2c(c1O)OCCC=C2c1cc(OC)c(OC)c(OC)c1 95589455 ZLKFYENWXWLYRU-UHFFFAOYSA-N 358.390 3.641 0 1 FHAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNCC2CCCC2)cc1 95667941 IWVYFZPCANSUES-JURMKTCASA-N 370.537 3.565 0 1 FHAF NC(=O)c1ncn2c1CN=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1-2 95554833 NLWHAZYMATWTMY-UHFFFAOYSA-N 371.227 3.629 0 1 FHAF CS(=O)(=O)c1ccc(-c2c(Cl)ncn2-c2ccc(F)c(F)c2)cc1 95576821 FXAKVTVDZVGRCY-UHFFFAOYSA-N 368.792 3.874 0 1 FHAF Cc1n[nH]c(=Nc2ccc3c(c2)[nH]c(=N)n3-c2ccccc2)c2ccccc12 473090676 OVDRZEQDCHBQPG-UHFFFAOYSA-N 366.428 3.855 0 1 FHAF CCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(F)cc2)c1C 653849001 SIERVJZKUBSKLY-UHFFFAOYSA-N 354.385 3.674 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 587932300 NJSVSAWKEVNFIP-MGPUTAFESA-N 370.474 3.810 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1F 587567325 GLOZXGAHXLWDPV-OXQOHEQNSA-N 352.317 3.940 0 1 FHAF N[C@H](c1nc2cc(F)cc(Br)c2[nH]1)c1ccc(F)cc1F 587150232 LONVYLIOKXNTMC-LBPRGKRZSA-N 356.145 3.791 0 1 FHAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)cc1 586947745 DEUNXFFCESZXIK-UHFFFAOYSA-N 369.368 3.797 0 1 FHAF CC(=O)OC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601949 VXFXJNNZUDFFCO-TUVDCLKLSA-N 368.385 3.598 0 1 FHAF Cc1c(Br)cc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2c1C 587250035 RGLPPDONQXYCDD-UHFFFAOYSA-N 374.238 3.819 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccncc1)CC2=O 587469988 RKBYNMLVSKZVDX-QYFOZDBKSA-N 352.434 3.676 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]c3cc(C(=O)O)ccc13)O2 587396482 LIHCHKITPPRWPJ-FQEVSTJZSA-N 350.374 3.637 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2CCO)N1 587828049 QZZOVIYXFSCUNY-BTJLNZGRSA-N 356.279 3.890 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1COc2ccccc2C1 587619837 ZUTOADBWFUCODG-RWAHWCJQSA-N 374.392 3.974 0 1 FHAF Oc1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587019195 UYWWQILPELYRGG-UHFFFAOYSA-N 365.414 3.754 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCC3)nc1F)O2 587385663 FQAHJVLMSQYXFA-FQEVSTJZSA-N 355.413 3.592 0 1 FHAF CS(=O)(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131972 XXXDQVUHTFUOEC-UHFFFAOYSA-N 362.401 3.848 0 1 FHAF FC(F)(F)c1nc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2[nH]1 587120765 USWDICGKSKSZGU-UHFFFAOYSA-N 360.295 3.896 0 1 FHAF COC(=O)c1cc2nc(-c3nc4ccc(OC)cc4s3)[nH]c2cc1OC 587036098 ZYKLSHKHJWSJLB-UHFFFAOYSA-N 369.402 3.643 0 1 FHAF Cc1c(F)ccc2c1[C@@]1(NCC2)C2CCN(CC2)[C@H]1Cc1ccccc1F 962095243 WMXWVLSZLAVZMB-JTHBVZDNSA-N 368.471 3.951 0 1 FHAF CC(C)c1nn(C)c2c1[C@@H](c1cc(F)ccc1OC(F)(F)F)NCC2 962919574 PWLGVYZXKDEVAL-MRXNPFEDSA-N 357.351 3.816 0 1 FHAF CC(C)C(=O)[C@@H]1CCCC[C@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962711276 LXZFEBGWDZRKRW-FRQCXROJSA-N 367.411 3.943 0 1 FHAF COc1cc(F)ccc1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772603517 QGPYAUBLEFNGIR-MRXNPFEDSA-N 356.353 3.799 0 1 FHAF Cc1ccc(-c2nc(CN3CCCC[C@H]3CCN3CCCC3=O)c(C)o2)o1 13593798 PGSWOFBBAZVNJI-KRWDZBQOSA-N 371.481 3.918 0 3 FHAF COc1cccc(-c2cc(=O)c3cc(NC(=O)c4cccnc4)ccc3[nH]2)c1 13814739 HAKGZNPTPOHZBP-UHFFFAOYSA-N 371.396 3.851 0 1 FHAF CN(CCCCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1 169339964 JPNXKIUJDVJICA-UHFFFAOYSA-N 353.510 3.821 0 1 FHAF CC(C)[C@@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)[C@H](C)O 204423298 FFEZLSGYGJTQRR-APPDUMDISA-N 371.378 3.797 0 1 FHAF COc1ccc(-c2noc(C(=O)N(C)Cc3ccccc3)c2[C@@H](C)O)cc1 2356426682 FYVBGLDHGQWDDI-CQSZACIVSA-N 366.417 3.676 0 1 FHAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccccc1OCC 104116352 SFGQLZUSYGLWBF-HVESIFNPSA-N 371.441 3.744 0 1 FHAF C[C@@H]1CC[C@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@@H]2C1 28527061 USIJTWGGTVYMGF-DUXKGJEZSA-N 365.521 3.889 0 1 FHAF C[C@H]1CCCC[C@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O 101678213 JGNHOVKHRJQKTI-XJKSGUPXSA-N 362.857 3.642 0 1 FHAF CS(=O)(=O)c1ccc2nccc(Nc3cc(O)c(F)cc3Cl)c2c1 28823937 YWFKDHLIBFICSE-UHFFFAOYSA-N 366.801 3.880 0 1 FHAF CCOC(=O)c1cncn1[C@H](C)c1ccc(C2(C(F)(F)F)N=N2)cc1 64503463 XILQKEHRYUALQZ-SNVBAGLBSA-N 352.316 3.850 0 1 FHAF O=C(O)c1cccc(-c2cn(C3CCN(Cc4ccsc4)CC3)nn2)c1 23231505 RZLNGDRAUUCWGR-UHFFFAOYSA-N 368.462 3.542 0 1 FHAF Cn1c(NCCc2ccncc2)nc2cc(-c3ccsc3)sc2c1=O 61897744 PZALMRSFXQNYIR-UHFFFAOYSA-N 368.487 3.773 0 3 FHAF CC=C([C@@H]1[C@H]2OC(=O)C[C@H]1[C@H](OC(C)=O)O2)[C@@H]1C[C@]12CCCC(C)(C)C2 2356826832 HKRWPAQMYDTSAL-FQBCGPMESA-N 362.466 3.964 0 1 FHAF CNC(=O)Nc1cccc(-c2ccc([C@](O)(c3c[nH]cn3)C(C)C)cc2)c1 71296733 FDFWKYDHOYTJRK-NRFANRHFSA-N 364.449 3.720 0 1 FHAF O=C(O)CCn1c(=O)n(Cc2csc3ccccc23)c2ccccc21 72178346 YTPYKGNAYKDPHG-UHFFFAOYSA-N 352.415 3.541 0 1 FHAF CC1=CC(=O)[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 15052212 WKEKWZCNKDYAGM-UDDWMFPDSA-N 372.461 3.640 0 1 FHAF biogenic Cc1ccc([C@H]2NC(=S)N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1 49116210 JEAXTUVEJOXNAU-MOPGFXCFSA-N 350.487 3.703 0 1 FHAF FC(F)(F)c1cccc(N2CCN(C(=S)Nc3cccnc3)CC2)c1 198401785 CYBXHIBLYZFAMJ-UHFFFAOYSA-N 366.412 3.619 0 1 FHAF CC(=O)O[C@H]1CC[C@H]2C(=O)c3occc3[C@@H](OC(=O)C(C)C)[C@]2(C)[C@H]1C 238769777 ONVLUVLKVLKOKM-GPMGZUIRSA-N 362.422 3.700 0 1 FHAF O=Cc1c(-c2ccccc2)nc2n1ccc1nc(-c3ccccc3)c(C=O)n12 96191318 YEKAYHNXZXXJRY-UHFFFAOYSA-N 366.380 3.941 0 1 FHAF COc1c(C(C)C)cc2c(c1O)[C@@]13CC[C@@](O)(OC1)C(C)(C)[C@@H]3CC2=O 85723144 SUDWEJIYLMEIED-ONGXBYRLSA-N 360.450 3.503 0 1 FHAF biogenic COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C(C)(C)C)cccc41)[C@@H](C2)C3=O 587442455 XBYOEZBNVFKOGY-OYHNWAKOSA-N 363.413 3.588 0 1 FHAF N=c1[nH]c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 587575662 KDFXYMNCSZSQRH-OXJNMPFZSA-N 374.352 3.649 0 1 FHAF CCOC(=O)C[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587794790 GQNCSVCUGRGLRB-HWPZZCPQSA-N 358.251 3.681 0 1 FHAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(F)c(F)c3)[nH]c2c1 587144789 AIAMHJNQYDOOFB-UHFFFAOYSA-N 365.405 3.587 0 1 FHAF CC[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342286 MOWNALRDKUZQCV-PZJWPPBQSA-N 366.392 3.929 0 1 FHAF Clc1ccc(OCc2nc3nc(Cl)c[nH]c-3n2)c(Br)c1 586978240 XXZQAJVKERYAIN-UHFFFAOYSA-N 374.025 3.953 0 1 FHAF COc1ccc(C[C@H](C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1OC 587925235 DCBVNSRXPZHHSS-LBPRGKRZSA-N 354.406 3.698 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCCN(C)C)O2 587388218 YEZPLNVOPJJFCH-FQEVSTJZSA-N 354.450 3.614 0 1 FHAF CCOC(=O)[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992676 RMPZHOURNLXGRH-CQSZACIVSA-N 359.381 3.745 0 1 FHAF O=C(O)c1cccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586979568 PUSCGEYKHBYTCG-UHFFFAOYSA-N 352.575 3.739 0 1 FHAF N=c1[nH]c2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc-2c(Cl)[nH]1 587052286 ZUYKPZMVXUSEIU-WDSKDSINSA-N 354.628 3.948 0 1 FHAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587196345 SWMBTSQBKMIHOT-MRXNPFEDSA-N 364.493 3.613 0 1 FHAF COC(=O)C(C)(C)C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587808605 OQGCCXRIBKGOEP-OTYXRUKQSA-N 358.251 3.753 0 1 FHAF Cn1cc([C@@]2(C(F)(F)F)NCCc3c(C(=O)O)cccc32)c2ccccc21 963119449 FEDIWXSIYIASIQ-IBGZPJMESA-N 374.362 3.828 0 1 FHAF C[C@@H](NC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21)c1ccccc1 5073451 ICTBDBCAXHEKBE-OAHLLOKOSA-N 366.461 3.587 0 1 FHAF Cn1c2ccccc2c2cc(COc3nccnc3-c3cncnc3)cnc21 169337399 KMQPYGAGQDIQCN-UHFFFAOYSA-N 368.400 3.553 0 1 FHAF C[C@H]1Oc2c(NC(=O)N[C@@H]3CC[C@@H](c4ccccc4)C3)cccc2NC1=O 169704866 TWCGLMWGYCDORZ-FVQBIDKESA-N 365.433 3.864 0 1 FHAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)Nc2cccc(F)c2)C1=O 200051782 ICZSBASSMDZUBU-LJQANCHMSA-N 369.440 3.837 0 3 FHAF CCc1c(Sc2ccccc2)n(C/C=C/c2ccccc2)c(=O)[nH]c1=O 6424963 GLORUOWXGIWBIU-FMIVXFBMSA-N 364.470 3.964 0 1 FHAF Cc1cccc(Nc2ncc3c(n2)N(C2CCCC2)Cc2nnc(C)n2-3)c1 1857549444 GSTDYTKUHPECSO-UHFFFAOYSA-N 361.453 3.680 0 1 FHAF CC=C(CO)[C@@H]1O[C@@H]2C(C)=C[C@](C)(C=CC(=O)O)[C@@H]3C(C)=C[C@]1(C)[C@]23C 2356407232 TUUPJUMTPYTGPG-WVYKEMLSSA-N 358.478 3.888 0 1 FHAF O=C(c1cccc(F)c1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1 3956015 XQPMYFXJTPUKIQ-UHFFFAOYSA-N 367.468 3.739 0 1 FHAF CSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@H]2c1ccncc1 102836390 LTQATRDGZPXAKD-KAECEXQPSA-N 372.450 3.732 0 1 FHAF Clc1cc2ncn(-c3cccc(NC4CCNCC4)n3)c2cc1Cl 29044643 CMGFJRFIZZFQRT-UHFFFAOYSA-N 362.264 3.891 0 1 FHAF CSc1ccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 29466402 OJHVEEBFYMZRRX-UHFFFAOYSA-N 367.400 3.681 0 1 FHAF Nc1nc(-c2ccco2)c2ncn(Cc3ccc(C(F)(F)F)cc3)c2n1 28523195 LSFHXSDZJHMJAH-UHFFFAOYSA-N 359.311 3.736 0 1 FHAF COC(=O)COc1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 116911223 BFROUFDSZGLRCL-INIZCTEOSA-N 372.726 3.670 0 1 FHAF CO[C@]1(CC(=O)OC(C)(C)C)O[C@H](CCc2ccccc2)CC(=O)[C@@H]1C 2356478369 BFLUJISEQVQXCF-LUQKVYGDSA-N 362.466 3.688 0 1 FHAF COc1ccccc1C=CC=C[C@]12NC(=O)CN1c1ccccc1C2(C)C 2356561609 CAVPWUNTQPMSRW-QHCPKHFHSA-N 360.457 3.889 0 1 FHAF CCC=CCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@@H]1CC=CCCC(=O)O1 2356674366 FGQRGNDJJATRPA-ZPAWYTMASA-N 360.494 3.855 0 1 FHAF C[C@@H](CSc1ccc(Br)cc1)CN1CC[C@H](O)CCC1=O 36382971 FMLGATBXCNUPOU-TZMCWYRMSA-N 372.328 3.551 0 3 FHAF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@@H]3CC[C@H]12 34801429 YJVVSONFMRLWTH-GQVARYJGSA-N 359.510 3.926 0 1 FHAF O[C@@H](CNCc1ccc(F)cc1F)Cn1c2c(c3ccccc31)CCCC2 73170072 LRTGRGDQNQGEIP-KRWDZBQOSA-N 370.443 3.949 0 1 FHAF CCOC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3c(C)ccn3C)cc1)N2 36271192 HBQKMASEGGGNBY-YSTOQKLRSA-N 352.478 3.788 0 1 FHAF O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCC3)c12 39829605 GRBCPJNRLNFZRM-UHFFFAOYSA-N 354.475 3.639 0 1 FHAF in-vitro COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3c2ccc(C)c3C)c1 40404611 CYNSMARVTUDOAM-GOSISDBHSA-N 351.402 3.689 0 1 FHAF COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@H](C2)N(C)CC[C@]314 136117043 JUUYNFHQKQIBCF-KVOAMPFWSA-N 372.468 3.981 0 1 FHAF Cc1ccc(C(=O)NC(C)C)cc1-c1ccc(C(=O)NCC2CC2)cc1 40918208 HWUIKJWOZNTZQM-UHFFFAOYSA-N 350.462 3.940 0 1 FHAF C/N=c1\[nH]c2cnc(-c3ccc(OC)c(OC)c3)cc2n1Cc1ccccc1 82078500 LDPRDRCXZREHKX-UHFFFAOYSA-N 374.444 3.627 0 3 FHAF CC[C@@H](C)Sc1nnc([C@@H](C)Sc2nc3nc(C)cc(C)n3n2)o1 40917583 SUPYXWBRLQZAPQ-GHMZBOCLSA-N 364.500 3.868 0 1 FHAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1COc2ncsc21 220861937 JYLMXYYAJLKPAJ-MRVPVSSYSA-N 362.760 3.608 0 1 FHAF O=C(N[C@@H]1CCC[C@@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1cccnc1 95591154 UHCAVFLNPSPQFM-XLIONFOSSA-N 369.852 3.623 0 1 FHAF C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(OC)C[C@@H]12 238777415 VZDRWGCKZZURIO-BFLCJFTHSA-N 362.466 3.927 0 1 FHAF Clc1cccc(CSc2nnc(Cn3nnc4ccccc43)o2)c1 96271747 ZDFJOBFGAMPHIM-UHFFFAOYSA-N 357.826 3.808 0 1 FHAF CCCN1C[C@H](NC(=O)N(CC)CC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21 103284663 FCRJELOYDVBTGW-POAQFYNOSA-N 368.525 3.712 0 1 FHAF biogenic Nc1nc(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)c[nH]1 299836007 XQNPLAAIFCWEPC-UHFFFAOYSA-N 357.211 3.674 0 1 FHAF CCOC(=O)[C@@H](C1CCCC1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441405 KGYIYCZWLGYJLM-FPDPHYFHSA-N 358.434 3.571 0 1 FHAF Clc1ccc(-n2cccc2)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587052526 DMLYZDXZEFXBKQ-UHFFFAOYSA-N 361.796 3.650 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](CC(=O)O)[C@H]2C)N1 587828012 NKDINPLKMFEXPO-QALDDWHKSA-N 370.262 3.839 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(C(C)(C)C)no2)N1 587798893 XIYWNDRYNCZBAO-OQPBUACISA-N 368.250 3.892 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cncn23)N1 587770008 HMDJUGAOQVMROO-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CCC[C@H](C2)N3C)N1 587767770 JIKASWSDNCOYFE-BTSAEYSWSA-N 367.306 3.964 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(O)c2)N1 587833812 PKRJDYJOAXPDFR-BCTVWOGZSA-N 352.203 3.623 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)nn2)N1 587706596 QRHUWMXLKZBIRC-AYVTZFPOSA-N 370.653 3.829 0 1 FHAF CN[C@H](c1cccnc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587221764 IBRGBPORMZZRNU-CYBMUJFWSA-N 356.735 3.819 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2c(Cl)ncc(Cl)c2[nH]1 586966612 FZTNKQULPZRMSA-UHFFFAOYSA-N 355.206 3.503 0 1 FHAF Cn1cc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2n1 587578854 BKNHOIGHRFHQQS-DENIHFKCSA-N 372.380 3.982 0 1 FHAF C[C@]1(c2ccc(S(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530735 GVNIQMXEOPDNBE-OAQYLSRUSA-N 370.470 3.850 0 1 FHAF Oc1cc(-c2ccc(F)cc2)c(O)n1-c1nc(N2CCCCC2)ncc1F 587946174 UEFIFMUBMIWEIJ-UHFFFAOYSA-N 372.375 3.614 0 1 FHAF C[C@@]1(c2ccc(=N)[nH]c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333769 IDPQKADEOKSTEM-CTNGQTDRSA-N 364.376 3.613 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(=O)OCC)n1)CC2=O 587485697 JXDAXNDZGIWRST-GOSISDBHSA-N 355.390 3.623 0 1 FHAF COc1cc(OC)c([C@H]2C[C@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC 1772571543 STKXXWMTZYSVQE-OJRASUONSA-N 366.429 3.598 0 1 FHAF CC(C)c1ccc(CN2CCC[C@]3(CCN(C4CCOCC4)C3)C2=O)cc1 12597110 SEVRABLTHCLCGK-HSZRJFAPSA-N 370.537 3.804 0 1 FHAF COc1ccc(N2CCc3c(C)nn(-c4ccc(F)cc4)c3C2=O)cc1 13779818 JJHDQYPELKHLCQ-UHFFFAOYSA-N 351.381 3.531 0 1 FHAF CN1CCN(c2nc3c(c4c2CSc2ccccc2-4)CCCC3)CC1 13797054 WVXZIUSUZQPEBC-UHFFFAOYSA-N 351.519 3.985 0 1 FHAF COc1ccc([C@](O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1 13892871 XXVSCXWFPLJIDG-QHCPKHFHSA-N 371.440 3.890 0 1 FHAF CC[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 13906335 PDXXVIHNDXQYNR-MRXNPFEDSA-N 368.433 3.996 0 1 FHAF Oc1ccc2c(c1)CCN(CCCCc1ccc(OCCF)cc1)C[C@@H]2O 1857541458 RPFRSXXUVPQMQP-QFIPXVFZSA-N 373.468 3.655 0 1 FHAF C=CC(=O)N[C@H](CO)Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 1857563222 KRHOFPPOWVISLP-KRWDZBQOSA-N 350.245 3.866 0 1 FHAF O=C(c1cc(Br)c[nH]1)N(Cc1cccc(O)c1)CC1CCC1 103232591 UIHFLGOSTQXBLB-UHFFFAOYSA-N 363.255 3.925 0 1 FHAF Cc1ccc(-n2cc(CSc3ccc(OCC(=O)O)c(C)c3)nn2)cc1 53243484 FUIIHSUYMWJMER-UHFFFAOYSA-N 369.446 3.640 0 1 FHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1c[nH]c2ccccc12 117588539 WDMUITGLQYVJJY-UHFFFAOYSA-N 364.449 3.679 0 1 FHAF O=c1[nH]c2c(F)cccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 115713627 HLZBBAVEMHTJOY-UHFFFAOYSA-N 373.472 3.579 0 1 FHAF C=CC1=C(C(=O)NCCc2cccc(OC)c2)[C@H](c2ccc(F)cc2)OC1 73224202 WCRUAAJWDBNDJM-NRFANRHFSA-N 367.420 3.747 0 1 FHAF Cc1ccnc(N2C(=O)CS[C@H]2c2c(F)cccc2C(F)(F)F)n1 40379242 NPGMZYIOCGUNSY-ZDUSSCGKSA-N 357.332 3.722 0 1 FHAF CCCCCCCCCCCCNC(=O)CCCNC(=O)[C@@H]1CCCN1 148855002 MNMKCRHUEZEZAD-IBGZPJMESA-N 367.578 3.672 0 1 FHAF C=CCOc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@@H](C)C(=O)N1CCCC1)CC2 25205990 WWJNGPMTEMSZSX-FQELHTAISA-N 357.494 3.723 0 1 FHAF biogenic C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C(=O)O)cn2C 95584891 BJMOZZZFWCKUEK-UHFFFAOYSA-N 367.401 3.964 0 1 FHAF COc1cc(O)c2c(O)c3c(c(CC=C(C)C)c2c1)C[C@@](C)(O)CC3=O 31168129 NHWKARBNIFISAQ-OAQYLSRUSA-N 356.418 3.648 0 1 FHAF biogenic COc1cc2c(c3oc(=O)c(-c4ccc(O)cc4O)cc13)C(C)(C)[C@H](C)O2 653818590 HQCCHZPTYSDJDO-JTQLQIEISA-N 368.385 3.938 0 1 FHAF O=C(CSc1nc(-c2ccc(O)cc2)n[nH]1)Nc1cccc(Cl)c1 653831332 QIKJSRIXAAGVTA-UHFFFAOYSA-N 360.826 3.562 0 1 FHAF CONC(=O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 653704211 RATPJQSBAWXPNE-UHFFFAOYSA-N 371.400 3.727 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](C(=O)O)CC2)N1 587829998 ZUWNFTNVHUUFEJ-AGKHESDQSA-N 370.262 3.983 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3[nH]c(O)cc32)N1 587801440 GJKXTGBOEUPAFU-VVVCHXIZSA-N 365.246 3.736 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c[nH]nc2c1 587594406 KRVBDNBLFDHKPG-NQIIRXRSSA-N 358.353 3.971 0 1 FHAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(Cl)nc2[nH]1 586985087 YMVCXPBLRJZZPY-SNVBAGLBSA-N 351.635 3.616 0 1 FHAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nc1OC 587518530 KLFZCWFHDISTKZ-NRFANRHFSA-N 353.418 3.858 0 1 FHAF COc1ccc(OC)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1OC 587798354 VDEMHSZAJYXVPR-UHFFFAOYSA-N 354.193 3.958 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCn3ccnc3)c1)O2 587390237 LLJHERODMRLHMN-FQEVSTJZSA-N 363.417 3.559 0 1 FHAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587586752 JLOXWEZWDYSSIM-GHTZIAJQSA-N 363.369 3.889 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1cn(CC)nc1C)(C(F)F)CC2=O 587467933 VOFIJAZPSWVYJG-IBGZPJMESA-N 364.392 3.995 0 1 FHAF CC(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704689 JKKAFNPCTKMBKZ-CPFSXVBKSA-N 368.168 3.859 0 1 FHAF COc1cc(OC)c(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587522733 HLFCCZXLZAZEOG-GOSISDBHSA-N 354.402 3.995 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1coc4cc(C)cc(C)c4c1=O)[C@@H](C2)C3=O 587450844 GTVPUEWPKRWYPS-FPTDNZKUSA-N 362.381 3.907 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)OC(C)(C)C)[C@H]1C)O2 587397296 ZNCUPMYDMUFHEY-RBZFPXEDSA-N 360.454 3.701 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ncccn4)o1)[C@@H](C2)C3=O 587451555 JKIRYWNXEVPHQZ-SGTLLEGYSA-N 366.398 3.718 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(Cc1ccc(F)cc1Cl)NCC2 962931687 OTGDCHQTZOAYFI-HXUWFJFHSA-N 360.860 3.785 0 1 FHAF CC(C)(C)OC(=O)N[C@H](CC1CCC1)[C@H]1NCCc2c(C(=O)O)cccc21 963125770 UMJYTHMCRPEAHB-MSOLQXFVSA-N 374.481 3.655 0 1 FHAF O=C1C[C@@H](c2ccnc3c(O)cccc23)[C@@H](c2ccnc3c(O)cccc23)O1 13379923 SEFQVLVYMCUORS-KSFYIVLOSA-N 372.380 3.966 0 1 FHAF biogenic CCCN(CCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12 13644275 LWPDMBRHQRQDNV-UHFFFAOYSA-N 368.525 3.557 0 1 FHAF O[C@]1(c2ccc3c(c2)Nc2ccccc2S3)CN2CCCC[C@@H]2CO1 169307085 FDTHFZBIIQURTN-FOIQADDNSA-N 354.475 3.925 0 1 FHAF C/C=C/c1ccc(O[C@@H](C)[C@@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 205302668 DIEIEAKVQCTJFH-RVZKHINXSA-N 374.433 3.952 0 1 FHAF NC(=S)c1cccc(-c2cc(C(F)(F)F)cc3c2ccn3CCO)c1 1857588994 SNIRGTIUMTVVJP-UHFFFAOYSA-N 364.392 3.954 0 1 FHAF O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)cnc1O 1260818577 WSNZINBWVVHETE-UHFFFAOYSA-N 367.641 3.689 0 1 FHAF CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCCC[C@H]23)cc1 6769460 MHPBXPOESZCFMH-UXHICEINSA-N 364.445 3.816 0 1 FHAF COCCCNC(=O)c1oc2ccc3c(c2c1C)[C@@H](O)CC1(CCCC1)O3 6940727 PYWKYGFCTPHFNK-AWEZNQCLSA-N 373.449 3.636 0 1 FHAF CSCOc1cc(Cl)cc(Cl)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 29413852 UWMWVRDALNVQGU-NTYHVHHESA-N 363.262 3.772 0 1 FHAF CCc1cc(C(C)=O)c(OC)cc1OCCCCCC(C)(C)c1nnn[nH]1 103262791 RVXDUXORLKUCFS-UHFFFAOYSA-N 374.485 3.890 0 1 FHAF Nc1cccc(-c2cnnc(N3CC[C@H](c4cccc(Cl)c4)C3)n2)c1 103226924 BAWULSPDKNVAJY-HNNXBMFYSA-N 351.841 3.768 0 1 FHAF CCOC(=O)c1ccc2c(c1)C[C@H](NC[C@H](O)c1cccc(Cl)c1)CC2 29562485 BXTHFJVBAFRCRI-UXHICEINSA-N 373.880 3.697 0 1 FHAF COc1ncccc1CNc1ccc(Cc2c[nH]c3ncccc23)c(F)n1 117424381 QGQODCDKRMKJDK-UHFFFAOYSA-N 363.396 3.704 0 1 FHAF Cc1cccc(CSc2nc3cc(F)c(N4CCNCC4)cc3[nH]2)c1 29048429 KUOMGSRTKNJTRH-UHFFFAOYSA-N 356.470 3.712 0 1 FHAF Brc1cccc(CCO[C@H]2CCCC[C@H]2N2CCOCC2)c1 114824813 PJWYGBZUVBVWTP-MSOLQXFVSA-N 368.315 3.652 0 1 FHAF CN1CCCN(c2cc(-c3ccc4ccccc4c3)nc3ccnn23)CC1 61907674 LHYCGZWDKSKPQZ-UHFFFAOYSA-N 357.461 3.691 0 3 FHAF CCN1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1cc2c(cc1-3)OCO2 38696264 TXCJYBYVNMEZBY-HNNXBMFYSA-N 353.418 3.575 0 1 FHAF COc1ccc(OC)c(CCNCc2coc(-c3ccc(C)cc3)n2)c1 72103106 OSOLINKFXPRLHN-UHFFFAOYSA-N 352.434 4.000 0 1 FHAF COc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccc(F)cc3)C2)cc1 73295091 CVXCGOOTIVLTGK-KRWDZBQOSA-N 369.421 3.615 0 1 FHAF CCCC[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 135825855 PRSOMMYGWKCUOK-GBESFXJTSA-N 350.418 3.555 0 1 FHAF OCC1CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1 40413804 MVWHGHDOPRCATH-UHFFFAOYSA-N 368.433 3.703 0 1 FHAF Cc1cccc2cc([C@H](C)Nc3nc(N)ncc3Cl)n(C3CC3)c(=O)c12 88345704 TYVGISKTCXDLHM-NSHDSACASA-N 369.856 3.844 0 1 FHAF COc1cc(NC(=O)Nc2ccccn2)cc(-c2cccnc2)c1OC 653689968 GCJNDMDPMOVHTQ-UHFFFAOYSA-N 350.378 3.805 0 1 FHAF CC[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 587956062 NWJBECUJAOMRNM-GFCCVEGCSA-N 359.451 3.886 0 1 FHAF O=C(Cc1cccc(F)c1)c1c(CO)oc2cc(Br)cnc12 587275782 FVJDTKOZIWOCEQ-UHFFFAOYSA-N 364.170 3.647 0 1 FHAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586910671 JCOJSJUFQVXGLL-GXFFZTMASA-N 362.373 3.529 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccccc1C)[C@@H](C2)C3=O 587427028 CEOSTSJBTRTUGN-BTYIYWSLSA-N 351.402 3.539 0 1 FHAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587589600 VWMFSTSLAVAAIU-WIYYLYMNSA-N 363.369 3.673 0 1 FHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc2c(c1)OCCO2 587660692 RMTVZCAFMIKOHK-UHFFFAOYSA-N 374.371 3.963 0 1 FHAF Cn1nccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336755 ALKPHABETPTELN-QUCCMNQESA-N 352.365 3.539 0 1 FHAF CCOC(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514176 HADCIYNTAZSSFS-LJQANCHMSA-N 351.402 3.844 0 1 FHAF COc1ccc(C(=O)c2ccccc2-c2nc3ccnc(O)c3[nH]2)cc1F 587143645 CJZNGNOEGHPBHJ-UHFFFAOYSA-N 363.348 3.709 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc(F)c2)N1 587740513 XRRLMNMVUJVNEV-ABKXIKBNSA-N 353.210 3.920 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cncc1Br)O2 587385264 BOWAJFYZDRYKJW-CYBMUJFWSA-N 351.175 3.580 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O)c(OC)c1)CC2=O 587484259 ZJLWLZRHIPCDRY-INIZCTEOSA-N 358.390 3.774 0 1 FHAF Cc1ccc2c(ccc3nc(CNC(=O)[C@H](C)Oc4ccccc4)[nH]c32)n1 587225734 SJGBUEXMTYWUDJ-AWEZNQCLSA-N 360.417 3.503 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccccn1 587862534 QOXRYSGEJJYFTC-UHFFFAOYSA-N 361.323 3.855 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)c(Cl)c1 587547814 NLOVKFCVVKFASX-YJBOKZPZSA-N 369.760 3.849 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2F)N1 587724929 AIORQUYJORPDOU-JDNHERCYSA-N 353.210 3.920 0 1 FHAF CC(C)(C)c1noc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587588586 TYRBIJDFLUCUEK-YOEHRIQHSA-N 366.373 3.776 0 1 FHAF CCOC(=O)CC[C@@]1(c2ccc(Cl)s2)NCCc2ccc(O)cc21 963341161 MAKNZPOZJGRBPO-GOSISDBHSA-N 365.882 3.840 0 1 FHAF CCCN1CCC(=O)N([C@H](COc2ccccc2)Cc2ccccc2)CC1 12474688 ADQUDUMPGCNLBS-NRFANRHFSA-N 366.505 3.621 0 3 FHAF O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccccc1)c1ccccc1 169337566 AEHSIUQHVJBXBC-LEWJYISDSA-N 362.381 4.000 0 1 FHAF C=Cc1cccc2c1[C@H](N=O)C(=O)N2Cc1cc(F)cc2c1OCOC2 169722170 LVJQKGYIYJKDPU-KRWDZBQOSA-N 354.337 3.690 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@]1(F)CCOc2ncccc21 205613910 HXBZTCDIUICWPT-QGZVFWFLSA-N 369.223 3.961 0 1 FHAF NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2ccccc21 1857571964 HVENFHQJNJLDPU-VWNXMTODSA-N 363.549 3.819 0 1 FHAF CCOc1c(C)c(O)c2c(c1C)O[C@H](c1ccc(O)c(OC)c1)CC2=O 2356341797 WZJGGZIWXDQPAL-HNNXBMFYSA-N 358.390 3.828 0 1 FHAF O=C(Nc1ccccc1)N1C[C@H](F)[C@@H](OCc2nc3ccccc3o2)C1 2356302047 KOMPLNJPTMMAAB-YOEHRIQHSA-N 355.369 3.599 0 1 FHAF O=C1c2ccccc2[C@@](OCCCO)(c2ccccc2)N1Cc1ccccc1 28132911 OIFWPXHKZGLRNC-DEOSSOPVSA-N 373.452 3.943 0 1 FHAF c1cc(OC2C[C@@H]3CC[C@H](C2)N3)c2nc(-c3nnc4ccccn34)ccc2c1 117662223 OPXDNPAGMKMBTA-SJPCQFCGSA-N 371.444 3.606 0 1 FHAF CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CCCCC/C=C/Cc2ccccc21 61959216 WLMKUHSUSVRAIJ-MEXJDSSQSA-N 372.461 3.633 0 3 FHAF CCCCN(C(=O)CCC)[C@@H](C(=O)NCc1ccccc1)c1cccnc1 2356822924 GHCNDIPRZFCOHC-OAQYLSRUSA-N 367.493 3.868 0 1 FHAF CCn1c(=S)sc2c(NC(=O)Nc3ccc(OC)cc3)ncnc21 45287316 DZALVIKETNLSNH-UHFFFAOYSA-N 361.452 3.895 0 1 FHAF COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCC(C)C)ncnc21 82178082 ISTHREIOWPYHHS-MRXNPFEDSA-N 367.497 3.887 0 1 FHAF CCCCCC(=O)O[C@H]1C[C@H]2C[C@@H]1[C@H](n1cnc3c(Cl)ncnc31)C2 84617491 UZWUMOYPUDWKSC-DGAVXFQQSA-N 362.861 3.943 0 1 FHAF CCOC(=O)c1cc(COc2ccc3ccc(C(F)(F)F)nc3c2)on1 45358881 HNLIXNQTZVUUBA-UHFFFAOYSA-N 366.295 3.997 0 1 FHAF CCCC[C@@H](CC)C(=O)OC[C@]1(CO)C/C(=C/C2CCCCC2)C(=O)O1 45498464 CLLFPTVUNVEEPH-YWLMLEGGSA-N 366.498 3.931 0 1 FHAF Cc1nc(N)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 224566322 NAPJLVKTYQXQPC-UHFFFAOYSA-N 366.400 3.605 0 1 FHAF O=C(O)c1ccc(CNC(=O)c2csc(Nc3ccccc3)n2)cc1 82081761 DXRYFEZJLCEDLI-UHFFFAOYSA-N 353.403 3.515 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC(=O)C[C@H]3C2)N1 587819209 UFHDVMCNGNEVTL-UANGTYAUSA-N 352.247 3.707 0 1 FHAF CC[C@@H](c1nc2ccccc2[nH]1)n1cc(I)c(C)n1 587184803 NDXWWTUOUNBQLJ-ZDUSSCGKSA-N 366.206 3.672 0 1 FHAF COc1ccc(-c2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)no2)cc1 587436390 PSZOJWZROVPCNP-VFNWGFHPSA-N 363.369 3.848 0 1 FHAF CCc1nccn1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578148 QKVBESQZDGSXQZ-GHTZIAJQSA-N 364.401 3.572 0 1 FHAF CCc1nccnc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587772459 NYDNDZUCWSCMHN-BMLIUANNSA-N 364.262 3.738 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csnn1 587860956 HCHSIXYYKAPGJC-UHFFFAOYSA-N 369.233 3.796 0 1 FHAF CC(=O)c1ccc2c(c1)Cc1cc(-c3ccc4c(O)nc(O)nc4n3)ccc1-2 587562229 SKXONTUGSCIAGY-UHFFFAOYSA-N 369.380 3.877 0 1 FHAF COc1cc2c3c(c1)O[C@@](C[C@H](C)C(=O)O)(c1ccccc1F)[C@@H](C2)C3=O 587427843 WGDXLTXMAYRGIE-XTNUZHGASA-N 370.376 3.588 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(O)cc1C2 587612831 WUVGXMAGIMXFCC-REWPJTCUSA-N 374.392 3.987 0 1 FHAF Cc1nc2ncc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)n2n1 587528053 WMBSOAFSOKDEDX-NRFANRHFSA-N 362.433 3.501 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCn2cccn2)N1 587755628 BCNUIZPVTIZIPJ-MEDUHNTESA-N 352.251 3.624 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(CC(=O)O)cs1)CC2=O 587493905 ITRDCVINLKCFDK-LJQANCHMSA-N 360.431 3.914 0 1 FHAF CCCn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587582085 NUSJBKUQTRENOJ-WIYYLYMNSA-N 364.401 3.876 0 1 FHAF Cc1nc(O)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587770337 IULPRNFPAFSQQN-HUTHGQBESA-N 365.246 3.795 0 1 FHAF CN1C(=O)C[C@H]2CN[C@@H](c3ccnc(-c4ccsc4)c3)c3cccc1c32 963021544 HXOYQZVRSYBPES-BTYIYWSLSA-N 361.470 3.953 0 1 FHAF O=c1nc(N2CCN(Cc3ccccc3)CC2)sc2ccc(Cl)cc12 1772574399 GZFBRQCRMRXNBQ-UHFFFAOYSA-N 371.893 3.632 0 1 FHAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CC[C@@H](C)C2)c1O 1772628798 SMUKAUYOSDQMCW-GHMZBOCLSA-N 374.890 3.538 0 1 FHAF COc1cc(N[C@H](C)CCCN)c2ncccc2c1C(=O)C(F)(F)F 5141695 LGDVQVMXSNNSGI-SNVBAGLBSA-N 355.360 3.528 0 1 FHAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NC2CC2)CC1 5043742 FTMLZRTXBFMZKG-UHFFFAOYSA-N 373.884 3.794 0 3 FHAF O=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)Nc1cccnc1 13824837 XEAJJGCDJCGAPS-UHFFFAOYSA-N 363.808 3.785 0 1 FHAF CCOC(=O)N1C(=O)[C@@](c2ccc(Cl)cc2)(C(C)C)N1C(=O)OCC 15924758 DCJJAVZZIGQNSD-KRWDZBQOSA-N 368.817 3.564 0 3 FHAF CCCN1C(=O)CC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 206021047 LTMQSXYBJKTTHW-QUCCMNQESA-N 357.475 3.603 0 3 FHAF COc1ccccc1S[C@H]1CC(=O)N1C(=O)N[C@H](C)c1ccccc1 1857590246 NHIBOTVVFUWMDN-ACJLOTCBSA-N 356.447 3.817 0 1 FHAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(F)c3)CC2)o1 103291306 DUEUCBAUDHXRRY-UHFFFAOYSA-N 365.408 3.752 0 1 FHAF CC[S@@](=O)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1 28218284 MXZUZCMIBPPRNX-VWLOTQADSA-N 356.447 3.888 0 1 FHAF C[C@H](OC(=O)NCCc1c[nH]c2ccccc12)[C@@H]1O[C@@]2(C)CCC[C@@H]1O2 61945012 UPVRDITYHPWJHE-RMXWXBJUSA-N 358.438 3.509 0 3 FHAF O=C(Nc1ccc(F)cc1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356640882 UGPUMRAZNSEAHK-MRXNPFEDSA-N 373.359 3.728 0 1 FHAF CN(CCOc1ccccc1Sc1cccc(Cl)c1)CC(=O)O 36143400 VOSSPUTUEJHAHN-UHFFFAOYSA-N 351.855 3.886 0 1 FHAF C[C@H]1CN(Cc2ccc(F)cc2)CCN1CCC[C@H](O)c1ccc(F)cc1 38964241 GTYCNWYIXLEGCJ-JTSKRJEESA-N 374.475 3.985 0 1 FHAF O=C1NCCc2[nH]c(-c3cccc4ccc(Oc5cccnc5)nc34)cc21 222359673 HMEPBBABMLMGIG-UHFFFAOYSA-N 356.385 3.703 0 1 FHAF CCCCC[C@]1(C)/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 194862943 HWOPMIJWXGQTJL-SASBSOHYSA-N 350.499 3.913 0 1 FHAF O=C(CCc1c[nH]c2ccccc12)Oc1ccc(CN2CCOCC2)cc1 96914938 FEXSCTKRMZHNSL-UHFFFAOYSA-N 364.445 3.538 0 1 FHAF CC1(C)C(=O)C(O)=C[C@@H]2C1=CC[C@@H]1[C@]2(C)C(=O)C[C@@]2(C)CC(=O)C[C@]12C 85886088 ZNVJUUJXCJWXED-QBCWLVBZSA-N 356.462 3.954 0 1 FHAF biogenic CN(C)CCCn1c(/C=C/c2ccc(F)cc2)nc2ccccc2c1=O 299866074 VEAADFGNKOFFHA-JLHYYAGUSA-N 351.425 3.658 0 1 FHAF CN1CCN(c2nc3ccccc3n2CCCCOc2ccccc2)CC1 473249291 UDQBPUQMWFSOIC-UHFFFAOYSA-N 364.493 3.647 0 1 FHAF O=C(O)[C@H]1CCCN1C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 299841343 ZIHYPADJFCDURR-OAHLLOKOSA-N 370.371 3.554 0 1 FHAF C=CN1CC[C@H]([C@]2(CSC)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587531125 FTSFYSSNPSFVFN-LAUBAEHRSA-N 371.502 3.624 0 1 FHAF C=C(NC(C)=O)c1nc2cc(OCCCC)c(Br)cc2[nH]1 587202708 GSKRSQCUPGOZFV-UHFFFAOYSA-N 352.232 3.611 0 1 FHAF Cc1nc(O)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609829 DQGWWPRDXYFXCA-IFXJQAMLSA-N 369.398 3.740 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(F)cc1F)O2 587385713 PJQORCNYSHSZLC-IBGZPJMESA-N 361.344 3.581 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccccc1OC)[C@@H](C2)C3=O 587432211 VBQPHIVPKGTICN-OYHNWAKOSA-N 361.397 3.983 0 1 FHAF C=CN1CC[C@@H]([C@@]2(CSC)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587531127 FTSFYSSNPSFVFN-UTKZUKDTSA-N 371.502 3.624 0 1 FHAF O=C1C[C@H](c2ccc(N3CCC(O)CC3)o2)Oc2c1ccc1c2CCCC1 587514420 OBVAYZLOYMARBI-HXUWFJFHSA-N 367.445 3.826 0 1 FHAF COC(=O)C[C@@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587376502 DHCZVLDTQWDDMW-LJQANCHMSA-N 359.809 3.654 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(C)(C)C)nn2)N1 587762432 YSTDGNLWPIYCQC-BJOHPYRUSA-N 367.266 3.558 0 1 FHAF CCn1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587763469 JMFKLCYUXKCMRN-MGPLVRAMSA-N 352.251 3.602 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(C(C[C@@H]3CCCN3)=C(F)F)nc2c1 587088081 ITPQUQXUODLBFZ-VIFPVBQESA-N 355.772 3.753 0 1 FHAF FC(F)(F)CCc1ocnc1-c1nc2ccc(Br)nc2[nH]1 587091766 IQMDUYVVMICUIZ-UHFFFAOYSA-N 361.121 3.870 0 1 FHAF Cc1ccc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587771550 MGSQUOZGSSMOQO-JDNHERCYSA-N 351.219 3.621 0 1 FHAF O=C(CSCc1nc2cccnc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587112549 AOFFSXQMVMYRQG-UHFFFAOYSA-N 366.368 3.849 0 1 FHAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(F)(F)F)cc2[nH]1 586960310 AXCXKJBMKZDZDE-LURJTMIESA-N 355.345 3.513 0 1 FHAF O=C1[C@@H](N2CCC[C@H](c3ccc(O)cc3)CC2)CCN1Cc1ccccc1 1772615148 NCAFFUYLUZFZJF-UGKGYDQZSA-N 364.489 3.763 0 1 FHAF CCc1ccccc1-c1cccc2cc(CNC[C@@H](N)C(=O)O)sc12 1772649105 JWSRNECCLVFGPX-GOSISDBHSA-N 354.475 3.632 0 1 FHAF CC[C@@H](NC(=O)N1C(=O)C[C@H]1SCc1ccccn1)c1ccccc1 5846764 HOPRIRGXAOEBRS-SJLPKXTDSA-N 355.463 3.734 0 1 FHAF CC(C)(C)c1ccccc1CNC(=S)N1CCC(c2cnc[nH]2)CC1 13808025 QMOCWPLPIBJKPU-UHFFFAOYSA-N 356.539 3.961 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(N)c3)cc2)C[C@@H]2CC[C@@H]1N2C 169310986 FNFCKPGBCJVUBJ-JSXRDJHFSA-N 350.462 3.675 0 1 FHAF O=C1Nc2ccccc2O[C@H]2C[C@H]1N(Cc1ccc(C(F)(F)F)cc1)C2 2356316806 RBAMZJBIEUIUKO-GOEBONIOSA-N 362.351 3.679 0 1 FHAF O=S(=O)(c1cccc(Cl)c1)n1cc([C@H]2CCCNC2)c2ccccc21 3976227 FUQPHANCZOHROJ-AWEZNQCLSA-N 374.893 3.999 0 1 FHAF COC(=O)C/C=C/[C@@H](C)[C@H](OC)c1c(Br)ccc2c1OCO2 8682238 WGONEYCOJVMLLL-TXYLHXBASA-N 371.227 3.621 0 1 FHAF Cc1sc(C(=O)NCc2cccc(OCCO)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 103235015 QZPHFQWZZYZMHP-SJLPKXTDSA-N 371.502 3.653 0 1 FHAF CC(=CCCC1=CC(=O)O[C@@H]1O)C[C@H](O)C[C@H](C)CCCc1ccoc1 2356618341 NVFZWTRCRQELPN-VMRPVKRXSA-N 362.466 3.908 0 1 FHAF CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3ccc[nH]3)[C@@H]1C2 26493871 JHFJJZDYPUTFGU-UDOWMFRQSA-N 358.482 3.997 0 1 FHAF O=S1(=O)c2ccccc2CN1c1cc(F)cc(Oc2ccccn2)c1 219246488 LDMHZAQFLWCKDT-UHFFFAOYSA-N 356.378 3.722 0 1 FHAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)O)[C@H](C)[C@@H]3C(=O)C[C@@H]12 39204548 LXJSFBJEYLPDJS-GZNPDOHQSA-N 362.466 3.618 0 1 FHAF CC[C@@](O)(C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1OC 36387720 WUDSYGGNVVFBAW-KRWDZBQOSA-N 353.340 3.950 0 3 FHAF COc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 72125151 CSMHLFJVMMGFBC-UHFFFAOYSA-N 350.462 3.802 0 1 FHAF CCN(CC)Cc1ccc(C[C@@H]2Oc3cc(OC)c(OC)cc3C2=O)cc1 40914465 ITFZJKJHMZSAEV-NRFANRHFSA-N 369.461 3.732 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC(C)(C)O2 82177649 BGWWFQBQWMXKMN-LJQANCHMSA-N 370.468 3.962 0 1 FHAF O=[S@]1N=C(NCc2ccccc2)C(Nc2cc(Cl)cc(Cl)c2)=N1 253896677 OOOGERLXVFQOBE-QHCPKHFHSA-N 367.261 3.584 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(N)s3)cc2)C[C@H]2CC[C@H]1N2C 261163447 RHXJIBSDVXHTMJ-YKTARERQSA-N 356.491 3.737 0 1 FHAF Cc1nn(-c2c(C)[nH]c3cc(F)ccc23)cc1I 587635202 IDAOPZYOJHHPPX-UHFFFAOYSA-N 355.154 3.714 0 1 FHAF COc1cc(-c2nc3cc(C)cc(C)c3[nH]2)ccc1OCC(=O)NC(C)C 587223008 LOICOMPCQXVMKF-UHFFFAOYSA-N 367.449 3.759 0 1 FHAF O=C(O)c1cnc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1 587105491 AXGNFWSPOPYADF-UHFFFAOYSA-N 353.337 3.601 0 1 FHAF COC(C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC 587594018 JZGIYEVHUYLGCF-WIYYLYMNSA-N 372.417 3.758 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)s2)N1 587845289 DLFRNAUWFYJHJH-WJWGPLDTSA-N 370.243 3.972 0 1 FHAF CCc1c([C@@H](C)C(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992668 RKDSJERITCDKCD-LLVKDONJSA-N 361.397 3.991 0 1 FHAF C=C1NC(=O)C(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)=C(C)N1 587096452 JVMJCIOSYRGKGX-UHFFFAOYSA-N 367.408 3.676 0 1 FHAF O=C(c1ccc(C(F)(F)F)cc1)n1ncc2ccc(Cl)cc2c1=O 587651464 JXPZNMFQQZOOBL-UHFFFAOYSA-N 352.699 3.757 0 1 FHAF COc1cc(O)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602791 YWZRBTJRIPLBRI-GHTZIAJQSA-N 364.353 3.809 0 1 FHAF CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442525 PXEHEBPTTWQYOD-DAAPVNGYSA-N 372.461 3.817 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(N3CCOCC3)c1)CC2=O 587473870 CMLLIFQAJICPDX-NRFANRHFSA-N 367.445 3.888 0 1 FHAF COc1cccc2cc3c(nc12)[C@@H](c1cn(-c2ccccc2)cn1)NCC3 963051376 FFAIFQZREOYAJJ-JOCHJYFZSA-N 356.429 3.664 0 1 FHAF CCCn1ccc([C@@H]2NCC3(CCOCC3)c3ccc(OC)c(OC)c32)c1 963183377 BLCTUDQIIKQTKW-FQEVSTJZSA-N 370.493 3.656 0 1 FHAF O[C@]1(c2ccc(OCc3ccccc3)cc2)c2ccccc2C2=NCCCN21 13491064 FKXRLYJEPQKQRH-XMMPIXPASA-N 370.452 3.925 0 1 FHAF COc1cc(O)c(CC=C(C)C)cc1[C@H]1COc2cc(O)cc(O)c2C1=O 14762866 CFKSDWBGVOZNHF-OAHLLOKOSA-N 370.401 3.680 0 1 FHAF biogenic,in-vitro C[C@@H](Nc1nc(CN2CCOCC2)nc2ccccc12)c1ccc(F)cc1 14884173 BNJRONPSBGRTBD-OAHLLOKOSA-N 366.440 3.774 0 1 FHAF CCc1c(Sc2ccccc2)n(C/C=C/c2ccco2)c(=O)[nH]c1=O 6424966 MVYMSQHOOJDGLO-SOFGYWHQSA-N 354.431 3.557 0 1 FHAF CCOc1ccc(C(C)=O)cc1Nc1cc(C(=O)OC)cc(C(=O)OC)c1 1857755459 UNAGVZCODUSBMG-UHFFFAOYSA-N 371.389 3.605 0 1 FHAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(O)cc1 4194102 VDWNHIZOIWKVDP-CYBMUJFWSA-N 355.419 3.824 0 1 FHAF CC[C@H](C)c1nn(C)c(C(=O)Nc2nnc(C(F)(F)F)s2)c1Cl 103179334 ICAOBQPPGJOGPR-YFKPBYRVSA-N 367.784 3.710 0 1 FHAF Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccncc5)C[C@@H]3N4)cc2)c1 100107957 FMKRRVQASUFWME-JKHIJQBDSA-N 369.468 3.637 0 1 FHAF CC(C)NCCC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 28219315 XTMJFEOZTHUWOE-IBGZPJMESA-N 351.494 3.591 0 1 FHAF CCCC[C@H](O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 26839086 XEOCZFWFKLSVHM-KSAMPWEPSA-N 368.514 3.564 0 1 FHAF CO[C@@H]1CC=C2NN(c3ccc(C)cc3)C(=O)CC[C@]2(c2ccccc2)O1 64415785 NKSIBPHWBIIURZ-FCHUYYIVSA-N 364.445 3.799 0 1 FHAF CCCNC(=O)[C@]1(C)CCCN(Cc2ccc(-c3ccccn3)cc2)C1 61898515 OBMIGJGMENFUSG-JOCHJYFZSA-N 351.494 3.877 0 3 FHAF COc1cc2c(cc1OC)[C@H](c1cc3c(cc1O)OCO3)[C@H](C)[C@@H](C)C2=O 2356496823 PAYPMQRYGQALTD-SUTOTMHJSA-N 370.401 3.739 0 1 FHAF CO[C@]1(C)CCC=C(C)CCC2=C(C)C(=O)OC2=C[C@@](C)(O)CC[C@@H]1O 2356509999 KEFOKZIMLWOHOY-SESVDKBCSA-N 364.482 3.561 0 1 FHAF CC(C)[C@H](CO)Nc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1 26400057 AMWNMXOYNCVODT-HNNXBMFYSA-N 354.458 3.580 0 1 FHAF CNC(=N)NC[C@@]1(C)[C@H]2CC3=C(C(=O)O)CC[C@]31[C@H](C)CC21CCCC1 2356777591 ZKDWDFRZWOXPNM-YHZNOWJQSA-N 359.514 3.518 0 1 FHAF CCCOc1ccc(-c2nc(CSCC(=O)NC3CC3)c(C)o2)cc1 198318103 HWQWUWYPFZIKDC-UHFFFAOYSA-N 360.479 3.951 0 3 FHAF O=C(c1cnc(N2CCCCC2)nc1-c1ccccc1F)N1CCCC1 82151870 QIFWENRVCHYMJJ-UHFFFAOYSA-N 354.429 3.509 0 1 FHAF CN1CCCCN2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO 95664085 JADFJDJVZNGIFR-DAIDSNQDSA-N 362.517 3.711 0 1 FHAF O=C(O)CSc1nnc(-c2ccc(F)cc2)n1-c1cccc(Cl)c1 96273177 PKLSHNGWRKTJMF-UHFFFAOYSA-N 363.801 3.904 0 1 FHAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2c1OCCO2 653864120 HDTUBNQMTYLVSV-UHFFFAOYSA-N 361.760 3.946 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2ccc(F)c(F)c2[nH]1)C[C@H]1CCCO1 587197122 JHFBAWBYRGOSLH-LLVKDONJSA-N 367.396 3.757 0 1 FHAF COc1cc2c3c(c1)OC1(CCC(CO)(c4ccccc4)CC1)[C@@H](C2)C3=O 587451163 PGDHCBGEABHEBQ-NWLLBJEDSA-N 364.441 3.686 0 1 FHAF Cc1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 586952863 IWSKSNLCJLVBAI-UHFFFAOYSA-N 370.459 3.796 0 1 FHAF C[C@H](F)[C@@H](N)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587125986 UUDSDIAOVULZCS-RNHFCUEFSA-N 356.117 3.582 0 1 FHAF CC(C)COc1cc2nc(CC3CC(N)C3)[nH]c2cc1Br 587255601 RQRVDVPKBPDJBQ-UHFFFAOYSA-N 352.276 3.640 0 1 FHAF CCOC(=O)[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@H]1C)-c1ccccc1C4=O 586989611 MGOQHOIYIMKEMZ-DIFFPNOSSA-N 373.408 3.991 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cn4cc(C)cc(Cl)c4n1)[C@@H](C2)C3=O 587422870 VOIRNRGCYXJBDQ-SGTLLEGYSA-N 354.793 3.793 0 1 FHAF CCOC(=O)[C@H](CC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795753 JDWHFQJKFMSFAY-QAGHZCBJSA-N 372.278 3.927 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn2nccc12 587584932 CBLFIBZLBMMLLU-WIYYLYMNSA-N 358.353 3.743 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC)c1Cl)[C@@H](C2)C3=O 587418954 CFJXUIALKGBZLT-KPZWWZAWSA-N 360.793 3.855 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4nccc(Cl)c14)[C@@H](C2)C3=O 587420885 JQPTUCSTYFCJFZ-WLRWDXFRSA-N 354.793 3.888 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCC(=O)Nc3ccccc31)CC2=O 587479877 DGGAFRBHGCCLGJ-NRFANRHFSA-N 351.402 3.938 0 1 FHAF Nc1ccnc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587151664 SNXLHNJHCFDNRS-KRWDZBQOSA-N 352.344 3.987 0 1 FHAF O=C(c1ccc(Cl)cc1)c1c(CO)oc2cc(Br)cnc12 587275897 GUJDQMAIEYSVLD-UHFFFAOYSA-N 366.598 3.967 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CCC[C@H](C2)N3)N1 587788787 AHYLUBGKJXNPBW-XODPVKTHSA-N 353.279 3.622 0 1 FHAF CCc1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 587038344 RFLBSEMRISJNAX-NSHDSACASA-N 367.478 3.873 0 1 FHAF Cc1nn(C)c2nc3cc(C(F)(F)F)ccc3c(NCCCN(C)C)c12 169329617 AVXFJULSMSIJPK-UHFFFAOYSA-N 365.403 3.812 0 1 FHAF CCN(CC)CCOc1ccccc1O[C@H](Cc1ccccc1)[C@H](C)O 1846829 IRAGMKKYEVTXEC-PGRDOPGGSA-N 357.494 3.778 0 1 FHAF NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)c1c(F)cccc1F 8617201 SLQMOUHTIFUDHD-UHFFFAOYSA-N 374.372 3.516 0 1 FHAF O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)NC1CCNCC1 1911584840 SAWRBFIGMWCIRX-WVKNIADZSA-N 352.522 3.783 0 1 FHAF Cc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3nccs3)c2)cc1 113760939 PPTFSGHAQSLKSX-CQSZACIVSA-N 352.459 3.896 0 1 FHAF CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 26977387 NRKFYDQWSIYFGJ-NMLBUPMWSA-N 359.416 3.667 0 1 FHAF O=S(=O)(c1ccc(F)cc1F)n1cc(C2=CCCNC2)c2ccccc21 28525568 NRDMRDSQJGBZNX-UHFFFAOYSA-N 374.412 3.533 0 1 FHAF CC(C)CC(=O)C(=O)NCCc1cn(Cc2ccccc2)c2ccccc12 26163952 JIXMGWRRWDLIGE-UHFFFAOYSA-N 362.473 3.964 0 1 FHAF COC(=O)C=C(C)CC[C@@]1(C)[C@@H]2CCC=C(CO)[C@]2(C)[C@@H](O)C[C@H]1C 2356685868 JBUAQUFKSAIGHN-ITXZTEAGSA-N 350.499 3.628 0 1 FHAF CC(C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(-n2cccn2)c1=O 38208847 NBIFKKVYGWAUGR-UHFFFAOYSA-N 364.783 3.684 0 1 FHAF CC(C)(O)[C@H]1CCCN(c2cc(NCc3ccc(Cl)cc3)ncn2)C1 73198245 ZQMCDRFGFVPLBY-HNNXBMFYSA-N 360.889 3.729 0 1 FHAF CC(C)NCCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12 39830248 YHPHFVMVXIQRCD-UHFFFAOYSA-N 356.491 3.931 0 1 FHAF in-vitro CO[C@]1(C2CC2)CCCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 43013897 GQUJPMOPVZJMPA-HXUWFJFHSA-N 365.539 3.954 0 1 FHAF Cc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12 43074257 XMIBOXFXXLMHGQ-UHFFFAOYSA-N 357.413 3.715 0 1 FHAF Cc1cccc(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1 143126542 OOVVZTHIMXFFIR-UHFFFAOYSA-N 370.460 3.646 0 1 FHAF COc1cc([C@@H]2CC(C)(C)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc(OC)c1OC 98083233 TZKSJOLXCRMXLE-ZWQIFLOQSA-N 362.466 3.896 0 1 FHAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CCC2=O 261499512 ZMITXKRGXGRMKS-ZLOBMTTQSA-N 370.511 3.786 0 1 FHAF endogenous,in-man Cc1cc2c(N[C@@H]3CCNC3)c(-c3nc4ccccc4[nH]3)c(O)nc2s1 299824518 HLDBXBPGSYFYTE-LLVKDONJSA-N 365.462 3.627 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn3nccc23)N1 587792446 HPJIXPPPXRJLQX-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF Nc1cc(F)cc(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558365 ROUAYVWRYZPFII-FXAWDEMLSA-N 369.323 3.956 0 1 FHAF N=C(N)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587017466 LTEKFCAKIBHOKV-UHFFFAOYSA-N 354.826 3.686 0 1 FHAF CCOC(=O)C[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352277 WECXLAHUIAHYKG-FPOVZHCZSA-N 372.392 3.992 0 1 FHAF O=C1COc2cc3[nH]c(-c4cc5ccccc5c(Cl)n4)nc3cc2N1 587085763 GKQJVEGQUWAPJV-UHFFFAOYSA-N 350.765 3.762 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC3(C[C@H]2C1)OCCO3 587491082 NAFOGICZDVXFOL-IKDJWVMYSA-N 358.434 3.612 0 1 FHAF COC(=O)Nc1ccc(-c2nc3cc(C)cc(Br)c3[nH]2)cn1 587244721 JLFKZFKHIUGROC-UHFFFAOYSA-N 361.199 3.874 0 1 FHAF CC(C)([C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N1CCCCC1 587591199 DWOLMCUEVCWDPA-WIYYLYMNSA-N 367.445 3.987 0 1 FHAF COC(=O)Cc1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587783018 CJJLHOBSMJWGPC-UHFFFAOYSA-N 350.296 3.844 0 1 FHAF Cc1nc(O)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587850679 DWHCVEZIRINSAO-NZFNHWASSA-N 371.275 3.856 0 1 FHAF CC(=O)N[C@@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(C)cc1 587205496 BGLPKKDHBZBPEZ-ZDUSSCGKSA-N 363.248 3.993 0 1 FHAF CC(C)CCC[C@H](C)NC(=S)n1ncc2ccc(Cl)cc2c1=O 587654119 ICOBVWKTKXJPNU-LBPRGKRZSA-N 351.903 3.987 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(F)c1-n1cccn1)[C@@H](C2)C3=O 587424847 WHXYWOSOBWEXJM-VBKZILBWSA-N 350.349 3.509 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)ccc1N)[C@@H](C2)C3=O 587417788 MBORQPFYWIABCM-UGSOOPFHSA-N 374.234 3.703 0 1 FHAF CC(C)(Oc1ccc(Br)cc1)c1nc2cccc(C(N)=O)c2[nH]1 586995872 KIPNNGOGZQDGRT-UHFFFAOYSA-N 374.238 3.738 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCC21CCOCC1 587606160 BURJYPMOAULMSP-UTKZUKDTSA-N 352.386 3.683 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C3CC3)[nH]n2)N1 587799035 VVJSRPAZNNWBCD-VPTHRUTESA-N 350.235 3.812 0 1 FHAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cc(F)cc(F)c1)[C@@H](C2)C3=O 587428505 NMJCGHGWAVHIPN-HCIHWQEHSA-N 371.383 3.692 0 1 FHAF CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587397103 SCWPJGIFMYOZFE-KRWDZBQOSA-N 364.401 3.942 0 1 FHAF CCN1CCC([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587772335 ZYSVVRUGGUWHSU-APPDUMDISA-N 355.295 3.895 0 1 FHAF Cc1cccnc1[C@]1(c2ccccc2F)NCCc2nc3ccccn3c21 962992469 GPRRTILUKFFDQI-QFIPXVFZSA-N 358.420 3.614 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCN(Cc2ccccc2)[C@@H]1C 963636118 PINXKADVWSUYLO-MFEFFIJZSA-N 366.505 3.728 0 1 FHAF COc1ccc2c(c1OC)[C@](C)(c1cccc3ncoc13)N(C)[C@@H](C)C2 962629791 PYYQLQNRBHCVKG-ZSEKCTLFSA-N 352.434 3.985 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccn2[C@H](C)C(=O)OC)N1 962959817 QUBUCRHVAOWINL-ARGWCVDVSA-N 351.450 3.717 0 1 FHAF CC(=O)[C@]12[C@H](c3ccccc3)[C@@H]3CCN(C(=O)N[C@@H]1c1ccccc1)[C@@]32C 169355486 ZXKPEKZKEYGWNX-FCSJJDFTSA-N 360.457 3.904 0 1 FHAF CN(C)c1cccc(-c2ccc3nnc(-c4ccc5c(c4)OCO5)n3c2)c1 1857607628 UNVORHQCEDPKHU-UHFFFAOYSA-N 358.401 3.858 0 1 FHAF Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1Cl 28772134 WQKAOMIKCQSQNQ-UHFFFAOYSA-N 368.614 3.543 0 1 FHAF C[C@@]1(C(=O)NCc2ccccc2Br)CON=C1c1ccccc1 767037 FLSORYOVDVBXAI-GOSISDBHSA-N 373.250 3.506 0 1 FHAF Cc1cnc(CNc2cc(-c3ccccc3)nc(-c3ccccn3)n2)nc1 1503654 QERIBPHEBTWPBO-UHFFFAOYSA-N 354.417 3.916 0 1 FHAF CCc1c(Sc2ccccc2)n(COCC2CCCCC2)c(=O)[nH]c1=O 6424977 BKDVQCXEGMDPKE-UHFFFAOYSA-N 374.506 3.805 0 1 FHAF COc1cc2nc3c(O)n(Cc4ccccc4Cl)cnc-3c2cc1OC 103533973 GBOMFDFMBLISID-UHFFFAOYSA-N 369.808 3.961 0 1 FHAF CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occc3[C@H](OC(=O)C(C)C)[C@]2(C)[C@@H]1C 2356432854 ONVLUVLKVLKOKM-QNWPKYLXSA-N 362.422 3.700 0 1 FHAF CC(C)NC(=O)[C@]1(C)CCN1C(=O)c1ccccc1Oc1ccccc1 61926960 BPEVNQMKWSFYMB-NRFANRHFSA-N 352.434 3.608 0 3 FHAF c1cc(CCCCc2nnn[nH]2)cc(OCc2ccc3ccccc3n2)c1 26722373 YKYNDIGNKWVGIO-UHFFFAOYSA-N 359.433 3.892 0 1 FHAF CCS[C@@H]1C[C@@H]2C(=O)Nc3ccc(-c4ccccc4)cc3C(=O)N2C1 2356693096 XEFIMVCWHURTBU-CRAIPNDOSA-N 352.459 3.642 0 1 FHAF CCNC(=O)[C@@]1(C)CCCN(C(=O)c2cc(-c3ccccc3)cs2)C1 61906392 LTQGBJUECHZWKQ-FQEVSTJZSA-N 356.491 3.794 0 3 FHAF CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1cccc(Cl)c1)C2 36384322 RZDGFYZCJGXIBB-GOEBONIOSA-N 362.857 3.623 0 3 FHAF COc1cc(-c2cc(=O)c3c(OC)c(OC)ccc3o2)cc(OC)c1OC 14644640 UIYFWULCBWYNDB-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF biogenic Cc1ccccc1C(=O)N[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 39246760 ZCEKFXTXDVQYHJ-IERDGZPVSA-N 359.473 3.968 0 1 FHAF C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)c1ccc(F)cc1)[C@H](CO)N2 95668723 NNJLFCAFAGGWML-SSTHFAAESA-N 366.436 3.849 0 1 FHAF c1cc(OCc2ccncc2)c2nc(-c3nnc4ccccn34)ccc2c1 96174997 BRKBEUWDJQDKTM-UHFFFAOYSA-N 353.385 3.919 0 1 FHAF c1cc2c(cc1-c1[nH]ncc1CN1C[C@H]3C[C@H]4C[C@H]1C[C@H](C4)C3)OCO2 263592032 HBMFLTDCCYOFQB-OVMOHIIOSA-N 351.450 3.816 0 3 FHAF Clc1nccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1Br 586979572 PYXCJVZBQZQRSP-UHFFFAOYSA-N 366.602 3.812 0 1 FHAF C[C@H]1C[C@H](C(=O)O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587828146 RSKAXNVKBAESGF-WLJFAVSXSA-N 370.262 3.839 0 1 FHAF O=N[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587570912 JSJSKOLODJDPOW-WOIUINJBSA-N 373.364 3.940 0 1 FHAF CCc1nn(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587765808 UHRMESIGLNCAEB-XXFAHNHDSA-N 352.251 3.508 0 1 FHAF Ic1cnc2[nH]c(/C=C/c3ccsc3)nc2c1 587026831 YFYOLTOIGYCBOW-OWOJBTEDSA-N 353.188 3.794 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)N[C@@H](c3ccccc3)C1)CC2=O 587479520 CKLCTORDDMQBCP-VGSWGCGISA-N 365.429 3.700 0 1 FHAF Cc1ccnc2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc12 587198853 SUJRAZAHLUDDCY-UHFFFAOYSA-N 357.417 3.792 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1NC(=O)OC(C)(C)C)O2 587391532 UZCYBLNSMBUGPH-OXQOHEQNSA-N 360.454 3.749 0 1 FHAF CC(=O)c1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587197037 HCKPWIZVFVVGEK-HNNXBMFYSA-N 373.453 3.682 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2CCO)N1 587826065 JUIAXFZBQPGNDY-BTJLNZGRSA-N 356.279 3.890 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]31)O2 587400441 PLJHGFSXQKCVRE-YHQOMNDMSA-N 372.465 3.558 0 1 FHAF COCC[C@]1(Cc2cccc(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427156 HEEHAHMORUKNPZ-DYESRHJHSA-N 356.393 3.600 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ncn2)N1 587707401 VIQUEQWGJRULHA-VXJOIVPMSA-N 370.653 3.829 0 1 FHAF CN1CCc2c(Br)cccc2[C@H]1Cn1c(=O)oc2ccccc21 963278872 CVVZQKFORLAFKV-MRXNPFEDSA-N 373.250 3.586 0 1 FHAF CC(C)[C@@H]1CC[C@]2(C1)N[C@@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962638855 NSBDTLGVKODTQY-RGYTYGDFSA-N 357.372 3.836 0 1 FHAF CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 13438180 KUOUKUUDMFOSTK-KRWDZBQOSA-N 352.390 3.962 0 1 FHAF CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13672402 ABTWJNSIYNEABB-UHFFFAOYSA-N 355.785 3.930 0 1 FHAF Cc1ccc(O[C@H]2CCCN(C(=O)C(=O)c3c[nH]c4ccccc34)C2)cc1 169318069 TWDQBZJQOORAFB-KRWDZBQOSA-N 362.429 3.729 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(F)c1 169723967 DDVXIVUENZSSHM-WBVHZDCISA-N 361.413 3.789 0 1 FHAF CNc1nc(-c2nc3ccccc3n2Cc2ccccc2)cn2c(C)nnc12 209377370 GPMKACUDCQFCCA-UHFFFAOYSA-N 369.432 3.539 0 1 FHAF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(-c3ccccc3)ccc1-2 209698752 YDYPOZXDIRYYDL-LJQANCHMSA-N 374.440 3.691 0 1 FHAF CCC[n+]1ccc(C[C@H]2CCc3cc(OC)ccc3C2=O)c(C(C)=O)c1 1857537236 NEDSVSDWHVAKDF-GOSISDBHSA-N 352.454 3.583 0 1 FHAF O=c1c(-c2ccccc2)c2oc(c1-c1ccccc1)CS(=O)(=O)CCC2 1631639 SLRXXVFBICJWEO-UHFFFAOYSA-N 366.438 3.835 0 1 FHAF CC1(C)CCCN(C(=O)Cc2ccc3c(c2)CCCC3)[C@H]1CN1CC=CC1 3797376 NAUNWRZEJGXKGK-QFIPXVFZSA-N 366.549 3.997 0 1 FHAF CO[C@]1(C(C)(C)O)C=C[C@@](C)(O)CCC=C(C)CC(=O)C[C@@H](C)CC1 2356440776 PUAPJGQBSUWLAY-YYWHXJBOSA-N 352.515 3.955 0 1 FHAF CN1[C@H]2CC[C@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccccc4)cc13)C2 100632645 IFBOMCGSZBBKMP-LIRRHRJNSA-N 366.486 3.703 0 1 FHAF C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 26391565 VFTOBPQVFABRND-XBUHLHANSA-N 359.510 3.963 0 1 FHAF O=C1C([C@H]2c3ccccc3-n3c2nc2ccccc2c3=O)=Nc2ccccc21 2356320501 NFORNJHQLPYPPB-LJQANCHMSA-N 363.376 3.800 0 1 FHAF CN(C)C/C=C(/c1ccc(I)cc1)c1cccnc1 29319688 PEHSPOJQDWLUFV-SXGWCWSVSA-N 364.230 3.680 0 1 FHAF COC(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccccc2Cl)no1 61928642 DOHQOROVSNLQSQ-AWEZNQCLSA-N 363.801 3.874 0 3 FHAF COc1cc2c(cc1O)C1=C(C)c3ccc(OC)c(OC)c3CN1CC2 2356826943 HLTQVHKSNCVQCN-UHFFFAOYSA-N 353.418 3.678 0 1 FHAF CCO[C@@H]1C[C@H](O)C2=C3c4cccc(O)c4C(=O)C[C@H]3c3ccc(O)c1c32 14724624 DSVFBOXMAJTYHV-AFAVFJNCSA-N 364.397 3.534 0 1 FHAF biogenic Nc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 49792457 UEJUFRKRCLMBAK-UJKMTWAASA-N 366.420 3.665 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccccc1Cl 40413559 VBUBJABPLJFWFA-JKSUJKDBSA-N 358.869 3.893 0 1 FHAF O=C(O)c1cc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2cc1O 144352461 MDICPFWMGXFZKX-UHFFFAOYSA-N 374.352 3.779 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)Oc2ccc(Br)cc2OC)cc1 95598005 AZNUSQUAUDFNBE-PIGZYNQJSA-N 367.239 3.967 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)C4CC4)[C@@H]3CC[C@@H]12 148210289 SNGXJCVQBMSSNF-WCBVEAOTSA-N 372.553 3.839 0 1 FHAF COc1ccccc1-c1cc(C)nc(NC[C@H]2CC[C@H](C(=O)O)CC2)n1 299829467 VDPDCCNDLPUHKE-SHTZXODSSA-N 355.438 3.764 0 1 FHAF O=C(NCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1cc2c(s1)CCC2 587033821 BKWYPRKZESDAPD-UHFFFAOYSA-N 367.261 3.745 0 1 FHAF CCOC(=O)[C@@H]1[C@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]21)-c1ccccc1C5=O 586992753 SVFGEWWMXSIHSN-UYHISHBKSA-N 371.392 3.601 0 1 FHAF Brc1cnc2c(-c3nc4cnc5ccccc5c4[nH]3)cnn2c1 587008246 KLKDEOSUQYPHSV-UHFFFAOYSA-N 365.194 3.583 0 1 FHAF COc1cccc(C)c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587785416 ABLFMGUMZFWEFN-UHFFFAOYSA-N 361.405 3.606 0 1 FHAF CCCCCOc1cc2nc([C@H](N)C3COC3)[nH]c2cc1Br 587255695 NKHCTMZJRRRIGS-OAHLLOKOSA-N 368.275 3.541 0 1 FHAF Cc1c(-c2nc3ccc(C(=N)N)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075798 MOHYQGYHZPWQSV-UHFFFAOYSA-N 350.813 3.661 0 1 FHAF c1ccc2sc(-c3ccc4nc(C[C@@H]5COCCO5)[nH]c4c3)nc2c1 586910846 SUOBPNVXVIBEKA-CYBMUJFWSA-N 351.431 3.798 0 1 FHAF N[C@H](Cc1nc2cc(Br)ncc2[nH]1)c1ccccc1Cl 587056117 HHNPYDCBHDBPPB-SNVBAGLBSA-N 351.635 3.616 0 1 FHAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(F)c(F)cc2[nH]1 587040065 ZEJFKBLIUNKZSB-UHFFFAOYSA-N 353.354 3.707 0 1 FHAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1ccnc1 587388927 BTTAKDYQHQBPLE-FQEVSTJZSA-N 363.417 3.537 0 1 FHAF COc1ccc(C[C@H](C)c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1OC 587926197 KNOPHIKNSACLEJ-JTQLQIEISA-N 352.394 3.508 0 1 FHAF CC(C)c1nn(C)c2c1[C@](C)(c1cc(-c3cccc(F)c3)no1)NCC2 962905369 DMJJEEJPQLAEPO-FQEVSTJZSA-N 354.429 3.747 0 1 FHAF Cc1cc(C(=O)NC[C@H]2CC[C@H](Oc3ccnc4ccccc34)CC2)no1 1772645400 ZXIJUQZCPPJBSO-WKILWMFISA-N 365.433 3.899 0 1 FHAF COc1cc(-c2ncc(C)c(N[C@H](CCO)c3ccccc3)n2)ccc1O 1772642238 BPPZAFVNASRRBD-QGZVFWFLSA-N 365.433 3.702 0 1 FHAF O=C(NCCc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1 13589112 NNIMHCOGAZQETJ-UHFFFAOYSA-N 374.484 3.697 0 1 FHAF Fc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@@H]2COc2ccc3c(c2)OCO3)cc1 13776974 HAHQKXHPHSTOFJ-JCHJZTRSSA-N 355.409 3.858 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(F)c1 169723966 DDVXIVUENZSSHM-DOTOQJQBSA-N 361.413 3.789 0 1 FHAF O=C(NCCCNCc1c[nH]c2ccccc12)c1cc(-c2ccccc2)on1 201712806 RIUJXUPJWRQAGR-UHFFFAOYSA-N 374.444 3.733 0 1 FHAF N=c1[nH][nH]c(=NCc2c(Cl)cccc2Oc2ccc3ccccc3c2)[nH]1 1857592910 HPOREVJOPMPYMP-UHFFFAOYSA-N 365.824 3.850 0 1 FHAF COc1ccccc1-c1cnc2cc(OC)c(S(=O)(=O)C(C)(C)C)cn12 1857631035 UHTPHNVGAMLQAX-UHFFFAOYSA-N 374.462 3.591 0 1 FHAF COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(O)cc4)ccc32)cc1 1857648873 SZSAXLRFQKXWLL-UHFFFAOYSA-N 359.381 3.797 0 1 FHAF Cc1cc(=O)oc2cc(O)c(-c3c(C)c4ccc(O)cc4oc3=O)cc12 205112551 LJCLLBQKGMOODP-UHFFFAOYSA-N 350.326 3.594 0 1 FHAF COc1ccc(-c2csc(N[C@H](Cc3ccccc3)C(=O)O)n2)cc1 1520233 CLKNCQMKIQBFTE-MRXNPFEDSA-N 354.431 3.927 0 1 FHAF O=C(NC1CCCCC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2455962 RXEQRFFNURHODU-FGZHOGPDSA-N 374.484 3.972 0 1 FHAF O=C1[C@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)CN1C1CCCC1 3039559 JRAXGJAXXDBUGO-NRFANRHFSA-N 366.436 3.680 0 1 FHAF Cc1nc(-c2cccc(Oc3ccccc3)c2)c(C(=O)O)c(C(=O)O)c1O 103242006 CDAIMRKZCYXGTE-UHFFFAOYSA-N 365.341 3.951 0 1 FHAF CCCSc1nc(C)sc1C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 103252806 CDUSNQGFNPWPJQ-OOUWYADOSA-N 366.552 3.623 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H](C2)N1C 100096999 QEOWCPFWLCIQSL-CALCHBBNSA-N 355.434 3.547 0 1 FHAF in-vitro Cc1ccc2[nH]nc(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 28529553 ARUVLMIQWKCJKW-UHFFFAOYSA-N 364.449 3.677 0 1 FHAF CCN(CC)CCC(=N)c1cccc2c1S(=O)(=O)c1ccccc1O2 26263508 JVBWVCGWIDBUKK-UHFFFAOYSA-N 358.463 3.725 0 1 FHAF Cc1ccc(CN2C[C@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 2356535828 BCLOBMWADSXFDG-CTNGQTDRSA-N 362.473 3.774 0 1 FHAF CC[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2C[C@@H](OC)C2=C[C@@H](O)[C@H]3C[C@]21C(=O)O3 2356831024 JLKFAPDEQPJKJG-KPRWUJOMSA-N 358.478 3.541 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(/C=C\Br)cc2)C[C@@H]2CC[C@H]1N2C 34065551 QRRDJSMVPRYYBA-SXWCDZENSA-N 364.283 3.792 0 1 FHAF COc1ccc([C@H](O)c2c3cc(OC)cc(C)c3nc3[nH]nc(C)c23)cc1 73199089 NJVOBGWGMQUPTG-FQEVSTJZSA-N 363.417 3.827 0 1 FHAF CCCC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(O)c2)NC(=O)N1 73310918 ZNJLEYLTPXAEPY-IBGZPJMESA-N 372.465 3.924 0 1 FHAF CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C(C)(C)O2 40640601 QGFDGGSDHAUSSB-MOPGFXCFSA-N 357.425 3.952 0 1 FHAF COc1ccc(Cn2cnc3c(Cc4ccco4)nc(Cl)nc32)cc1 45386176 KQTFNDGEDRCNAD-UHFFFAOYSA-N 354.797 3.720 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccnc(OCC4CC4)c3)C2)cc1 149979222 SAHUWRKOGHDIOM-HNNXBMFYSA-N 365.477 3.671 0 1 FHAF C[C@]1(C(=O)NCc2ccc(Cl)cc2Cl)CCC(=O)N1C1CCC1 95565728 PBFYCOIJAOQYJO-QGZVFWFLSA-N 355.265 3.543 0 1 FHAF C[C@H]1c2[nH]c3c(-c4ccccc4)cccc3c2C[C@@H]2C(=O)N(C)C(=S)N12 95590103 HQOSONRGMDOOLC-YVEFUNNKSA-N 361.470 3.880 0 1 FHAF COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 253793122 VQKLFYFQQYOFJU-OFOKGCAXSA-N 367.537 3.808 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4cccn4)c(F)c1)[C@@H](C2)C3=O 587425284 BDDRAOYXHQELGS-YCRPNKLZSA-N 364.376 3.683 0 1 FHAF COC(=O)[C@@H]1c2ccccc2C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527108 VDVMVUNNIIGUBZ-NZQKXSOJSA-N 362.425 3.782 0 1 FHAF COC1=Cc2nc3ccc(O)c4c3c(c2[C@@H](C(=O)O)C1)-c1ccccc1C4=O 586990123 AFAVYEYPNJXEIN-ZDUSSCGKSA-N 373.364 3.711 0 1 FHAF COCc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852106 DDBLKFDCGHXWPA-CLAHSXSESA-N 371.275 3.815 0 1 FHAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c1 587242006 LDFHHBNQGROJCO-UHFFFAOYSA-N 350.422 3.704 0 1 FHAF COC(=O)c1cccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c12 587197793 OLJVMJHFROLMDQ-OAHLLOKOSA-N 361.442 3.914 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 586935023 FWJLHXWBZQWHJG-LLVKDONJSA-N 363.870 3.960 0 1 FHAF COC(=O)c1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587525568 QICALUHXMBQSBO-JOCHJYFZSA-N 366.413 3.938 0 1 FHAF Cc1[nH]c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C=O 587790916 KFVQUKXJFUMXMM-QPFGOUBPSA-N 365.246 3.969 0 1 FHAF Oc1nc(O)c2cc(C3CC3)c(-c3ccc(Br)cc3)nc2n1 587367564 YZRUWKDIBNOPIT-UHFFFAOYSA-N 358.195 3.743 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H]1COC(=O)C1)CC2=O 587493160 SHKVRAVJHFXAMQ-QRQCRPRQSA-N 366.413 3.769 0 1 FHAF C[C@]1(CS(=O)(=O)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532583 PDNOMYPHMYFJGF-OAQYLSRUSA-N 370.470 3.763 0 1 FHAF C[C@@H](Cc1ccnn1C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587762148 XHRPINFRDKLIJZ-RVPKQNPDSA-N 366.278 3.776 0 1 FHAF CC1(C)[C@@H]2OCCC[C@@H]2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587613402 XQJODQPIJXLMJO-MLGANFCOSA-N 366.413 3.928 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2c(F)c(F)c(Cl)cc2[nH]1 586967428 WVZPPSJMCDLREF-UHFFFAOYSA-N 355.753 3.733 0 1 FHAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(F)cc(F)cc2[nH]1 587039914 XHYLGQLFNWAQTP-UHFFFAOYSA-N 353.354 3.707 0 1 FHAF Fc1cc(CCc2nc3ccc(Br)nc3[nH]2)cc(F)c1F 587139348 HXVRVXPDANQFKH-UHFFFAOYSA-N 356.145 3.923 0 1 FHAF COC(=O)[C@@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587810002 SOSUFJJNYCPSAH-NVTQBHAOSA-N 370.262 3.537 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc([C@@H]4CCCO4)s3)c3cccc1c32 963038578 WISRMALRSIGJJK-RAJNIJHNSA-N 354.475 3.742 0 1 FHAF CCCOc1ccnc(C[S@](=O)c2nc3cscc3[nH]2)c1Cl 13448651 BLVFAOONFNHCTH-JOCHJYFZSA-N 355.872 3.769 0 1 FHAF CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@@](CC)(CC[C@@H]12)[C@H]43 14857326 ROASJTKVYDJYTF-KDXIVRHGSA-N 354.494 3.814 0 1 FHAF Nc1nc2ccc(C3CC3)nc2n1C[C@H](O)c1ccc(Cl)cc1Cl 169351122 PKGDBLHVLCHZME-HNNXBMFYSA-N 363.248 3.931 0 1 FHAF CN(C)CCn1cc(-c2ccc3c(c2)CC[C@H]3N=O)c(-c2ccncc2)n1 169686123 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2356534090 GTUMUWSDRPQNEC-PEUWCOAASA-N 373.493 3.751 0 1 FHAF CCCCCC=C[C@@H](O)C=CCCCCCCCC(=O)OC[C@@H](O)CO 2356711662 MRBYNZWOAUWCJR-UXHICEINSA-N 370.530 3.667 0 1 FHAF O[C@](Cc1ccccc1-c1ccccc1)(c1ccccc1)[C@@H]1CNCCO1 36093126 WGCRPMFFZVDRHS-BJKOFHAPSA-N 359.469 3.772 0 1 FHAF CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@](C)([C@@H](O)CO)C=C3CC[C@H]12 33834104 RNAJZYMCKHMPRN-OGVIVNNGSA-N 364.526 3.852 0 1 FHAF biogenic,in-vitro COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC)[C@@H]2OC 14642536 RCABCWRSNHSFDC-VAMGGRTRSA-N 360.406 3.549 0 1 FHAF biogenic CCCC[C@H](/C=C1/C[C@](CO)(COC(=O)C2CCCCC2)OC1=O)CC 40395232 BVJLDIOBLWMSQO-XTIGRCASSA-N 366.498 3.931 0 1 FHAF Nc1cccc(-c2ccc3c(c2)Nc2ccc(CC(=O)O)cc2NC3=O)c1 87612920 GDCXRGNOQFHSCX-UHFFFAOYSA-N 359.385 3.872 0 1 FHAF COc1cc(Nc2cncc(Nc3ccc(O)cc3)n2)cc(OC)c1OC 40943499 LNDAKQXMRORUPY-UHFFFAOYSA-N 368.393 3.695 0 1 FHAF CCc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccccc2)s1 82162887 JZIHVPUZWNTUPL-UHFFFAOYSA-N 352.463 3.666 0 1 FHAF CNc1cc(C(=O)N2CCC[C@@](F)(c3ncc(Cl)cc3C)C2)ccn1 230534454 KJJXBCYIKIOANE-SFHVURJKSA-N 362.836 3.581 0 1 FHAF O=c1c2cc3c(cc2ncn1Cc1ccc(-c2ccccc2)cc1)OCCO3 653711600 XLTDHDIKMPTYGR-UHFFFAOYSA-N 370.408 3.883 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(F)c(F)c(C=O)c(F)c1F)[C@@H](C2)C3=O 587424888 XFYNGSWDSHSRFP-DCXZOGHSSA-N 366.266 3.553 0 1 FHAF O=C(O)c1cc(F)cc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586978959 DISJVYJHARUFSW-UHFFFAOYSA-N 370.565 3.878 0 1 FHAF Fc1cc(Br)cnc1-c1nc2ccc(Br)nc2[nH]1 587155793 SCHRPMQMUKKAOL-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587572107 NJZPFTCOBBWFFM-RXVVDRJESA-N 362.385 3.556 0 1 FHAF CC(C)OC(=O)C1(c2nc3ccc(Br)cc3[nH]2)CC(F)(F)C1 587130801 RUAUNUIEIPKZTC-UHFFFAOYSA-N 373.197 3.944 0 1 FHAF Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587775482 QYTWAHTTWCBOGL-ZKANADHPSA-N 350.235 3.619 0 1 FHAF COC(=O)c1ccnc2[nH]c([C@H](C)CC(=O)c3ccc(Cl)cc3)nc12 587069333 IDNCGJYEHPEYTC-SNVBAGLBSA-N 357.797 3.774 0 1 FHAF C[C@]1(c2ccc(=N)[nH]c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333775 IDPQKADEOKSTEM-PZJWPPBQSA-N 364.376 3.613 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N1CCCC[C@H]1C)CC2=O 587481072 XRHVBSQRMBTOOJ-SZNDQCEHSA-N 359.466 3.860 0 1 FHAF COc1cncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587775503 RDQDRIOLTCUHCE-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1ccco1)(c1nccn1C)CC2=O 587472249 ZGRJSASNHHPLGS-FQEVSTJZSA-N 352.390 3.580 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C1(C)C)[C@@H](C2)C3=O 587437561 JRKXTYRKJJYPIK-LHSJRXKWSA-N 373.449 3.601 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccccn23)N1 587773825 KBNBPPHSUJYPQV-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF COc1ccc(-c2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)no2)cc1 587394957 LWEAXMHVWCDFHB-LJQANCHMSA-N 350.374 3.947 0 1 FHAF Clc1cnn(COc2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)c1 587081574 CLHNCURZQZAJIM-UHFFFAOYSA-N 361.192 3.511 0 1 FHAF COC(=O)Nc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 587243838 RLWDRLMMIFHAQW-UHFFFAOYSA-N 371.706 3.870 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CCCC[C@@H]32)N1 587789495 DNFCCMFDNWSIDY-ZLENFMNRSA-N 353.279 3.576 0 1 FHAF Fc1ccc(-c2nc3nc(Br)ccc3[nH]2)nc1Br 587154593 BRFLZRDIUYICAE-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF CN(C)C(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587079622 FBXHQNTXPIJNSI-UHFFFAOYSA-N 352.825 3.921 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(C(=O)O)c2[nH]1 587079019 FLOJYJOJSXGXRU-ZDUSSCGKSA-N 354.797 3.638 0 1 FHAF CS(=O)(=O)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Cl)c1 587874854 DLJCJUYVEBOVLP-UHFFFAOYSA-N 364.785 3.841 0 1 FHAF CN1CCc2cn(C)nc2[C@H]1c1ccc(COc2ccc(Cl)cc2)o1 963954310 IYPISVUIHGEROY-LJQANCHMSA-N 357.841 3.823 0 1 FHAF COCCCOc1cccc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c1 963631343 CYBYXLZAQRHOHD-IVZQSRNASA-N 371.477 3.743 0 1 FHAF CC(C)c1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)no1 12585596 FAVVNRJAVCLQEF-HNNXBMFYSA-N 368.412 3.930 0 3 FHAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)[C@@H](O)C(C)(C)O2 13604643 KMBXNPJEKNKOQQ-ZWKOTPCHSA-N 373.836 3.546 0 1 FHAF 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C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c(=S)n2C)N1 587844140 MKCYYJMOMSKCRE-CLAHSXSESA-N 370.291 3.618 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCc4nn(-c5ccccc5)cc41)[C@@H](C2)C3=O 587434529 ACTNARIKSZFAEX-GAJHUEQPSA-N 372.424 3.860 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](O)C(C)(C)C2)N1 587835906 YOWYCYWTQTXRLX-PGQWDYDZSA-N 356.279 3.889 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@]2(C(N)=O)CC[C@@]1(C)C2(C)C 587471543 SXGLEJVFHMXQKT-BDTNDASRSA-N 371.477 3.750 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C)N)N1 587749415 PIDFSDRZLVVTMW-FMTVUPSXSA-N 363.274 3.713 0 1 FHAF O=C1CCC(c2ccccc2)(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC1 586877595 GDYOBNAAUSBUFP-UHFFFAOYSA-N 359.429 3.877 0 1 FHAF O=C1C[C@@H](c2ccc(N3CCOCC3)o2)Oc2c1ccc1c2CCCC1 587518721 ODBHIRQQJCXIFL-IBGZPJMESA-N 353.418 3.702 0 1 FHAF CC1=C([C@]2(C)NCCc3cccc(-c4ccccc4)c32)[C@H](C)N2NN=NC2=N1 962671675 UJJJLRQRODEVRS-NYHFZMIOSA-N 372.476 3.934 0 1 FHAF C[C@]1(c2cc(Cl)ccc2N)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730589 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O=c1c2ccccc2nc(-c2ccccc2)n1NCCNc1ccccc1 103173889 WGHLNERBECDVJB-UHFFFAOYSA-N 356.429 3.719 0 1 FHAF O=C1CS[C@@H](c2c(F)cccc2F)N1c1ccc(Br)nc1 28712628 PORSVEDHOWKMRD-AWEZNQCLSA-N 371.206 3.901 0 1 FHAF Cc1cc(CCCOc2c(C)cc(-c3noc([C@@H](C)O)n3)cc2C)on1 26492454 BFYCTVXIVXKTSL-CQSZACIVSA-N 357.410 3.715 0 1 FHAF Cc1ccc(-n2c(CC(=O)c3ccccn3)nc3ccccc3c2=O)cc1 29399311 ANDPJWHVPUWVPT-UHFFFAOYSA-N 355.397 3.515 0 1 FHAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1F 62224585 WARFECWEDIFRPK-KRWDZBQOSA-N 361.413 3.575 0 1 FHAF O=C(O)C=C1CN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64436503 GIZCWMURBFLMON-QPPBQGQZSA-N 359.469 3.950 0 1 FHAF CC(C)=CCCC(=CCCC(=CCCC1=CCOC1=O)C(=O)O)C(=O)O 2356516928 PNULYALODGNHHJ-UHFFFAOYSA-N 362.422 3.798 0 1 FHAF CCCS(=O)(=O)Nc1ccccc1C(=O)N[C@@H](CC)c1ccccc1 26722140 KXLQNJHTXBWDOW-KRWDZBQOSA-N 360.479 3.719 0 1 FHAF CC1=C[C@H](CNC(C)C)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356805580 ACSZKYRJMAIMPN-RCCFBDPRSA-N 371.529 3.865 0 1 FHAF Cn1nc(C2CCCC2)cc1[C@@H]1CN2CC[C@H]1C[C@H]2CNCc1ccco1 2356839819 LYOLGCTZKPMWLW-CMKODMSKSA-N 368.525 3.638 0 1 FHAF COc1ccc([C@H](c2ccc3c(c2)OCO3)[C@@H](C)[C@@H](C)CO)cc1OC 15119348 KGDBNDDWKNDHSU-DGCWBMGLSA-N 358.434 3.829 0 1 FHAF biogenic Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc(F)cc3Cl)C[C@H]12 74377159 DLRCQNNHRCBDLA-DOTOQJQBSA-N 358.800 3.663 0 3 FHAF O=C1COCc2cc(-c3cccc(CO)c3)ccc2N1Cc1ccccc1 74374728 FKGWIYRBWVMQJB-UHFFFAOYSA-N 359.425 3.909 0 3 FHAF CCOC(=O)CCCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224583303 ATJXVXOWYAUZQY-UHFFFAOYSA-N 373.428 3.855 0 1 FHAF O=C(N[C@H]1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1)c1ccccn1 95589916 PRULUDPHQJINOO-ZFWWWQNUSA-N 357.841 3.662 0 1 FHAF O=c1cc(CO)oc([C@@H](c2ccc(F)cc2)c2c[nH]c3ccccc23)c1O 299824156 AQWKYXTXDFVWSN-IBGZPJMESA-N 365.360 3.638 0 1 FHAF c1ccc(CC2CCN(CCN3CCN(c4ccccc4)CC3)CC2)cc1 653728077 MSYYGPLUIGBORB-UHFFFAOYSA-N 363.549 3.763 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1C(F)(F)F)CC2=O 587464654 VJFCRHTXGPFKAM-AWEZNQCLSA-N 354.328 3.804 0 1 FHAF COc1ccc(-c2ncc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)cc1 587437077 WKKHUMMYHOXSFQ-UTKZUKDTSA-N 374.396 3.650 0 1 FHAF CCc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587113874 VSVHDOJRWMEXMZ-UHFFFAOYSA-N 372.354 3.846 0 1 FHAF Oc1ccc(C2(c3nc4cc(C(F)(F)F)cnc4[nH]3)CCOCC2)cc1 586912049 CDEMFCXHBVVAGD-UHFFFAOYSA-N 363.339 3.779 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1F 587566948 CLXPBIBSDQFGIN-XLIONFOSSA-N 352.317 3.940 0 1 FHAF CCCCc1cc(=O)oc2cc(OCc3nc4ccnc(O)c4[nH]3)ccc12 586917479 CTIYGKPHNIYIJM-UHFFFAOYSA-N 365.389 3.692 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(Cc1ccccc1)CC2=O 587478125 IAPBUIAGFZNNTG-QFIPXVFZSA-N 368.429 3.855 0 1 FHAF Nc1ccc(F)c(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587141148 MLACIEGBGZGJQP-UHFFFAOYSA-N 356.145 3.916 0 1 FHAF CC1=C(c2ccc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)NNC(=O)C1 586888714 LSTJQABTTKEQTM-UZUQRXQVSA-N 370.456 3.690 0 1 FHAF Cc1c(Br)cc2nc(-c3cccc(N)c3C(=O)O)[nH]c2c1C 587248408 PBKWXZVBHQDWTA-UHFFFAOYSA-N 360.211 3.890 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023596 MVRZZLVITVKZGE-UHFFFAOYSA-N 355.444 3.757 0 1 FHAF COC(=O)[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354853 VYNCJQUPYZGSOI-MPKWNAGQSA-N 370.376 3.602 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1O[C@H](C)C(=O)O)CC2=O 587487552 WDHVNCOXIXDNKV-BLVKFPJESA-N 370.401 3.903 0 1 FHAF CCCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(OCCC)c1 587559142 FSKPOZNQWJWOIY-UHFFFAOYSA-N 355.394 3.681 0 1 FHAF N=c1[nH]c(-c2cccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2)cs1 587021668 PAGVVENHWDNMHB-UHFFFAOYSA-N 361.430 3.651 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)([C@H](C)Oc1ccccc1)O2 587385593 DDKYVSNXIAXESV-VJLCMLQPSA-N 366.461 3.824 0 1 FHAF CCC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCOCC1 587613079 XKYNDIKUEUBXMG-FXAWDEMLSA-N 354.402 3.929 0 1 FHAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(O)c3N)c([C@H](N)C(=O)O)c2c1 587642895 PRSAVXZVHSTCHU-YPMLDQLKSA-N 353.422 3.721 0 1 FHAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(Cl)ncnc2[nH]1 587044520 HORXKDFBEAXYQF-UHFFFAOYSA-N 359.600 3.997 0 1 FHAF CCOC(=O)CCCC[C@]1(C(C)C)NC[C@H]2CC(=O)N(C)c3cccc1c32 963023910 JAKBYLOAKXDZJY-OPAMFIHVSA-N 372.509 3.715 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)NCc3c(F)cccc3Cl)ncc12 1772653404 YAQBSKZGDRQGIS-UHFFFAOYSA-N 362.796 3.504 0 1 FHAF Cc1cccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)c1C 1772576543 FNGMTUNOWVEDNY-UHFFFAOYSA-N 359.403 3.857 0 1 FHAF CCn1c(C(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)cc2sccc21 5085269 RLJVNKMDNBKHRW-CQSZACIVSA-N 373.522 3.634 0 1 FHAF Nc1nc(N)c2cc(NCc3ccc(Oc4ccccc4)cc3)cnc2n1 5974640 GFZYQSFYVKLQKJ-UHFFFAOYSA-N 358.405 3.594 0 1 FHAF CCC/C=C1/CCCO[C@@](C(=O)NCc2ccccn2)(C(F)(F)F)C1 13828971 XGVLUVVVGNZGRE-ROOCWEIGSA-N 356.388 3.926 0 3 FHAF Nc1cnc(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cn1 205944202 GVTGUGSYELVURC-UHFFFAOYSA-N 374.322 3.877 0 1 FHAF CC(C)OP(=O)(OC(C)C)[C@@H]1[N@]2[C@@](C)(O)c3ccccc3O[C@@]12C 1857587274 FATFTWFEBMBMSY-XLAORIBOSA-N 355.371 3.645 0 1 FHAF CC[C@@H]1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857646353 BNPWSJFCDRPRGJ-CZUORRHYSA-N 372.415 3.692 0 1 FHAF CSc1nc2c(oc3ccc(Cl)cc32)c(=O)n1C[C@H]1CCCO1 2461981 AGYVPIAEFJPFBJ-SNVBAGLBSA-N 350.827 3.697 0 1 FHAF CC[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC(C)(C)CC 4902335 INWKANUYTNBMJK-ZETCQYMHSA-N 353.271 3.690 0 3 FHAF COc1ccc(C2=C[C@@H](COC(=O)c3ccc(Cl)cc3)OC2=O)cc1 6484245 JLAGAQHIHOBYPK-INIZCTEOSA-N 358.777 3.514 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(SC)nn2[C@H]1c1ccccc1OCC 103531599 FYSJAVDWDCODOR-RIBQPWQFSA-N 374.466 3.900 0 1 FHAF COc1ccc(CNc2[nH]cnc3c4cc(OC)c(OC)cc4nc2-3)cc1 101925213 YSKCNGHLUDUQOV-UHFFFAOYSA-N 364.405 3.701 0 1 FHAF COP(=O)(OC)[C@@H](C)OC(=O)COc1c(Cl)cccc1Cl 103295167 OKLIGBPTERYGJV-QMMMGPOBSA-N 357.126 3.747 0 1 FHAF O=C(O)c1ccc2nc(-n3nc4c(c3O)-c3ccccc3CC4)sc2c1 101463412 OFKOVQRGERBWJZ-UHFFFAOYSA-N 363.398 3.651 0 1 FHAF CO/C(O)=C1\C(C)=NC(S)=N[C@H]1c1cc(Br)ccc1OC 103888707 KLYOEPWMMMRWNM-OWRWYXLESA-N 371.256 3.675 0 1 FHAF CCN1CCC[C@H](n2cc(S(=O)(=O)c3ccccc3)c3cccnc32)C1 28862288 ZTPFZEHJSYONHE-INIZCTEOSA-N 369.490 3.526 0 1 FHAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OC)cc1 103531250 VXGCFOBFFKYBPP-HMNTXPNISA-N 356.426 3.959 0 1 FHAF O=C(O)C1=CC[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356400639 FIWGUWJZNRWGNC-PDLJLJHZSA-N 350.414 3.673 0 1 FHAF Cc1oc2ccc3c(C)cc(=O)oc3c2c1CN1C(=O)c2ccccc2C1=O 29483796 BPJFSVLUDXPATI-UHFFFAOYSA-N 373.364 3.952 0 1 FHAF COC(=O)CCC(=O)Nc1ccc(OCc2ccc3ccccc3n2)cc1 29224135 IPCHGGLUPWBHJB-UHFFFAOYSA-N 364.401 3.706 0 1 FHAF C[C@@H](O)c1onc(-c2ccccc2)c1C(=O)NCc1cc(F)cc(F)c1 2356759836 APESZIFYLMWAOQ-LLVKDONJSA-N 358.344 3.603 0 1 FHAF COc1ccc(-c2csc([C@@](C)(NC(C)=O)c3ccccc3)n2)cn1 61926637 MATRJGJJODUCDC-IBGZPJMESA-N 353.447 3.613 0 3 FHAF C[C@H](C1=C(CCN(C)Cc2cnccn2)Cc2ccccc21)c1cnccn1 66099095 QLDMAQDSTHZTSU-KRWDZBQOSA-N 371.488 3.902 0 1 FHAF FC(F)(F)c1cccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)c1 38544489 NTHRQJJWSIUTOE-UHFFFAOYSA-N 374.410 3.946 0 1 FHAF CC(C)(C(=O)NCC1CCCCC1)n1cc(-c2ccc3c(c2)OCO3)cn1 74387508 WEJMULBDSRWOSM-UHFFFAOYSA-N 369.465 3.710 0 1 FHAF C=CC[C@]12C[C@H](OC)C(=O)C=C1O[C@H](c1ccc(OC)c(OC)c1)[C@@H]2C 14677339 KFMNCNJSZCXIMA-AUXSQSTDSA-N 358.434 3.845 0 1 FHAF biogenic O=C(N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1ccccc1 199716356 RCGUQSNLEQDYSH-SFHVURJKSA-N 356.853 3.651 0 3 FHAF O[C@H](COCc1c(Cl)cccc1Cl)CN1CCc2ccccc2C1 220894642 UJXVPTCLVUETTQ-INIZCTEOSA-N 366.288 3.929 0 1 FHAF c1ccc(Nc2ccc(Oc3nccnc3N3CCCOCC3)cc2)nc1 143698874 HAYCEKVXLJCWSW-UHFFFAOYSA-N 363.421 3.634 0 1 FHAF C[C@@H]1CC=C(c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)CC1 148950491 PQKQEKLALZXTJD-JLCFBVMHSA-N 368.477 3.618 0 1 FHAF C/C=C/c1ccc([C@H]2[C@@H](CNCC)N(c3nc(C)c(C)s3)[C@H]2CO)cc1 95895853 ZUCKCDUXKGXNBA-OBRWRRPLSA-N 371.550 3.736 0 1 FHAF C=CC(=O)NC(C)(C)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587623209 NXKNJGMZVLXFLJ-UHFFFAOYSA-N 361.243 3.652 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586893012 YVCNOLPDVYAACR-OXJNMPFZSA-N 352.459 3.728 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1O 587573446 WPEIZFIVKKGANN-PXNSSMCTSA-N 352.317 3.940 0 1 FHAF COC(=O)c1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2c(F)c1Nc1ccccc1 587125264 RYSDWALKPWBKIY-OTYXRUKQSA-N 360.364 3.590 0 1 FHAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(CN)c3)nc2c1 587246325 PJOMOAYTWRHOHS-UHFFFAOYSA-N 374.238 3.628 0 1 FHAF O=C(O)c1cc(F)cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120553 ORSIPHFZYDGDLR-UHFFFAOYSA-N 364.258 3.962 0 1 FHAF Nc1c(-c2nc3cc(Br)cnc3[nH]2)cnc2c(F)cccc12 587176226 IJCUCNYZAPGICV-UHFFFAOYSA-N 358.174 3.657 0 1 FHAF Cc1nn(C)cc1[C@@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587515656 NMVVSEJQBRDSOR-VDZCTEQFSA-N 365.477 3.543 0 1 FHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C(=O)O)c(F)cc4[nH]1)(C3)C2 587950027 IURCBWGQOLPJNN-WFSAKUOBSA-N 372.396 3.554 0 1 FHAF C[C@]1(c2ccncc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330496 BTAZZADMDKUQQU-TZIWHRDSSA-N 364.376 3.783 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(O)cc1O)O2 587405398 WPSHVWZNPPPJCE-QFIPXVFZSA-N 361.397 3.897 0 1 FHAF Cc1cc(F)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2c1 587234594 QLQZGQJKBMTBOY-UHFFFAOYSA-N 361.417 3.874 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(OC(F)F)c1)[C@@H](C2)C3=O 587419554 CTQBAIWPSQZZMU-APPDUMDISA-N 350.292 3.924 0 1 FHAF CCCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C(F)(F)F)n1 587423648 UQRNIFKEBHQQPJ-BDJLRTHQSA-N 366.339 3.809 0 1 FHAF C[C@H](O)c1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587852773 IRXGGRCAYTXERO-KXEKKFMESA-N 371.275 3.722 0 1 FHAF CN[C@@H](c1cccnc1)c1nc2cc(Br)cc(Cl)c2[nH]1 587221775 IEDRJUQUMHTLAM-LBPRGKRZSA-N 351.635 3.683 0 1 FHAF O=C1c2ccc(O)cc2O[C@@](CO)(c2ccccc2)[C@H]1c1ccc(F)cc1 587358648 WXDJUYHWSUHKMG-UNMCSNQZSA-N 364.372 3.778 0 1 FHAF CC(C)c1nn(C)c2c1[C@H](C1CCN(Cc3cccs3)CC1)NCC2 962915324 HKJWWQHDKZJHOD-FQEVSTJZSA-N 358.555 3.704 0 1 FHAF Cc1ccc(C)c([C@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1 962645048 UEWWTDKLJUXMLW-WMLDXEAASA-N 365.351 3.890 0 1 FHAF COc1cc2c(cc1OC)[C@@H](c1ccc3ncn(C)c3c1)N(C)[C@@H](C)C2 962625793 FUWASBUHRNBFAW-YEJXKQKISA-N 351.450 3.556 0 1 FHAF CC(C)c1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1O 1857534856 LNBMEZIHTDMQSY-XGICHPGQSA-N 356.241 3.944 0 1 FHAF COc1ccccc1NC(=O)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 115621355 HRNOJRMDEAFOQH-LJQANCHMSA-N 366.442 3.801 0 1 FHAF Cn1c(=O)oc2cc([C@H]3CCC(=O)N3Cc3ccc(Cl)cc3)ccc21 5722892 XFWTULNZDIIKDT-OAHLLOKOSA-N 356.809 3.649 0 1 FHAF CC(=O)Nc1ccc2nc(O)n([C@H]3CC[C@@H](C(C)(C)C)CC3)c(=O)c2c1 1857539254 AXSBQKZHWTZEEN-OTVXOJSOSA-N 357.454 3.838 0 1 FHAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCc1cccnc1 1857615821 LHHJEJUDOKJUHQ-CMDGGOBGSA-N 354.413 3.955 0 1 FHAF CC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1ccco1 988025 OTCOUSBUPXESQT-UHFFFAOYSA-N 359.179 3.661 0 3 FHAF CCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC(C)(C)O2 2487698 VLYCLVXSLYAAOP-FUHWJXTLSA-N 360.498 3.587 0 1 FHAF Cc1cccc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1C 3815544 DHGWCHIUBOKFPY-UHFFFAOYSA-N 364.453 3.811 0 1 FHAF CC(C)CC(=O)N[C@@H](C)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356302432 VHIZCDHFAGONOC-JTQLQIEISA-N 350.802 3.917 0 1 FHAF COc1cc(O)c(C[C@@H](C)[C@H](C)Cc2cc3c(cc2O)OCO3)cc1OC 2356549668 HWEDUYYNFQNDIU-CHWSQXEVSA-N 374.433 3.901 0 1 FHAF C[C@H](NC[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@]3(C)[C@@H](O)[C@H]21)c1ccccc1 504568110 YSIINEYFHDVBCW-DZOOAYHBSA-N 369.505 3.622 0 1 FHAF biogenic Cc1cc(-c2cnc3c(NCC(C)C)nccn23)ccc1C(=O)NC1CC1 147352862 PVHCHYPHQLKTTA-UHFFFAOYSA-N 363.465 3.665 0 1 FHAF O=C([C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccccc1)N1CCCCC1 72176075 OYFARCDWBWBBGC-RTWAWAEBSA-N 362.473 3.697 0 1 FHAF CC(=O)O[C@]1(c2ccccc2)C(=O)Nc2ccc(-c3c(C)noc3C)cc21 219549666 YJUUYNSHQAXQKU-NRFANRHFSA-N 362.385 3.717 0 1 FHAF O=c1c2ccccc2nc2n1[C@@H]([C@H]1c3ccccc3N=C3CCCN31)CC2 15121873 JSBWLMOPVBHTTO-WIYYLYMNSA-N 356.429 3.765 0 1 FHAF biogenic Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 142980186 MJVVBRRJTJDLGQ-UHFFFAOYSA-N 355.438 3.720 0 1 FHAF CN1CCC[C@]12C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1)c1ccccc12 95590630 IDNFFKGWHRNHPP-QHCPKHFHSA-N 372.472 3.555 0 1 FHAF O=C(Cc1cccc(F)c1)N1CC[C@H]1c1nc(-c2cccc(F)c2)no1 95580542 JAFCNJIYJPKUGS-INIZCTEOSA-N 355.344 3.531 0 1 FHAF COc1ccc(-c2cc(CNC(=O)[C@H](C)c3ccccc3)on2)cc1OC 621431131 OFMXCVDUBTVOBT-CQSZACIVSA-N 366.417 3.779 0 1 FHAF O=C(CSc1nnc(-c2ccncc2)s1)Nc1ccccc1Cl 473105957 UZYLODJSFZMEMW-UHFFFAOYSA-N 362.867 3.984 0 1 FHAF CCOC(=O)[C@H]1[C@@H](c2cc(OC)cc(OC)c2)[C@H]1C(=O)c1cccs1 653822826 MXXMWNPXBMHKEO-BBWFWOEESA-N 360.431 3.541 0 1 FHAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)cc(F)c2[nH]1 587240310 SIYULHBMPHNEGZ-UHFFFAOYSA-N 363.190 3.931 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccncc12 587586034 ASHOXZZLMUMBTG-WIYYLYMNSA-N 358.353 3.971 0 1 FHAF CCOc1cc(C(C)=O)c(OCC)n1-c1c(N)cccc1Br 587936443 IYNWWAAGQMYTCI-UHFFFAOYSA-N 367.243 3.822 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2N[C@@H]2c2ccccc2)N1 587794973 PRZKEIQJZWIAND-TUYIQCLLSA-N 361.258 3.877 0 1 FHAF COc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587616347 CBAIFIABQHAEDT-RHSMWYFYSA-N 355.371 3.560 0 1 FHAF Cc1ncc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(C)c1Br 586979573 QAMCYOKMGFYFFD-UHFFFAOYSA-N 373.254 3.706 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)cc2)N1 587826763 LRYARKNCUMZDSE-JDNHERCYSA-N 364.214 3.910 0 1 FHAF COc1cc(/C=C\c2nc3ccc(C(=N)N)cc3[nH]2)ccc1Br 586977104 NKPFURQLHDQLMD-CLTKARDFSA-N 371.238 3.788 0 1 FHAF CCN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C)C1 587344802 NSDQYVBSNAMQJC-OTPBECDQSA-N 369.436 3.991 0 1 FHAF O=C(/C=C/c1nc2cncc(Br)c2[nH]1)Nc1ccc(F)cc1 587166801 JNDWDHBNGRNOCW-AATRIKPKSA-N 361.174 3.511 0 1 FHAF Nc1ncc(Cl)nc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587088451 WQXUROQBPUTFIU-UHFFFAOYSA-N 359.014 3.671 0 1 FHAF Cc1cnc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587588558 RDPPSVVEVQCAGT-LAUBAEHRSA-N 362.385 3.676 0 1 FHAF CN1[C@H]2CCC[C@@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592044 HFISLEQMTXDECI-LTRXETERSA-N 365.429 3.739 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587422608 QZSKDGAOCRQYEV-YWZLYKJASA-N 372.804 3.856 0 1 FHAF CC1=C(c2ccc3nc(-c4coc5cc(F)ccc45)[nH]c3c2)NNC(=O)C1 587175589 UVZFYGSKTBHCSF-UHFFFAOYSA-N 362.364 3.871 0 1 FHAF C[C@]1(CCc2c[nH]c3ccccc23)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901776 LHZZDIZPTVOTKU-PZJWPPBQSA-N 352.409 3.754 0 1 FHAF COc1cccc2cc3c(nc12)[C@]1(CCc2cc4c(cc21)OCC4)NCC3 963047358 OHAPFHPKXCVBJK-HSZRJFAPSA-N 358.441 3.514 0 1 FHAF CSc1nc(NC(C)C)c2c(n1)Sc1nc3ccccc3n1N=C2 1658794 SOEYDQZQKFYYRB-UHFFFAOYSA-N 356.480 3.715 0 1 FHAF CC(=O)N1c2c(O)cccc2[C@@]23CCN4CCC[C@@]5(CCC[C@@]12CC5)[C@@H]43 2356340957 CEYYGKWFSIIYLP-YUMYIRISSA-N 352.478 3.568 0 1 FHAF CCCn1c(C)nc2c(N[C@@H]3CCN(Cc4ccccc4)C3)nc(C)nc21 7991887 GIPNSVSVVZFASK-GOSISDBHSA-N 364.497 3.540 0 1 FHAF O=C(NCCN1CCc2ccccc2C1)c1cc2ccc3cccnc3c2[nH]1 20575471 ZTFXOVFJOBLGSM-UHFFFAOYSA-N 370.456 3.504 0 1 FHAF COc1cccc(CO[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2COC(C)=O)c1 66156569 AJPWQTJSSAKUPS-VSKRKVRLSA-N 368.429 3.840 0 1 FHAF COc1cc(OCC=C(C)CCC=C(C)C)c(C(=O)CO)c(O)c1OC 2356517919 YKIAOKGXYJGHEC-UHFFFAOYSA-N 364.438 3.656 0 1 FHAF COc1cccc2c1OCC(CN1CCc3[nH]nc(C4CCC4)c3C1)=C2 23231716 FAZSYBOUQDGETM-UHFFFAOYSA-N 351.450 3.520 0 1 FHAF O=C(N[C@@H]1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2 26497207 ZYZWIJNZQDASMZ-ZTLYHTANSA-N 370.512 3.775 0 1 FHAF COC(=O)C1=C(c2cccc(Cl)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 36384328 WENVEURZCIOMLM-DOTOQJQBSA-N 374.868 3.719 0 3 FHAF O=C(Cc1ccccc1)N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72185867 VCBPWRUDXNKPCA-LJQANCHMSA-N 371.362 3.944 0 1 FHAF Cc1cccc(S(=O)(=O)c2ccc3[nH]nc(C4CCN(C)CC4)c3c2)c1 71295938 CUOBXOYPSPRZOA-UHFFFAOYSA-N 369.490 3.513 0 1 FHAF CCN(C)Cc1cccc(C[C@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 40897596 CQZPKEFEHXEQPI-SFHVURJKSA-N 353.462 3.753 0 1 FHAF CC(C)CNc1ncnc2c1nc(-c1ccsc1)n2C[C@H]1CCCO1 82177964 CIQXBQIXXGZOTM-CQSZACIVSA-N 357.483 3.802 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](n5cccn5)C[C@@]43C)[C@@H]1CC[C@@H]2O 40952969 BBHWEYGIJJGWTI-YTCCEPPISA-N 358.526 3.799 0 1 FHAF COc1ccc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)cc1 84604225 SUSACZGFHZKCNH-QHCPKHFHSA-N 371.440 3.602 0 1 FHAF Cc1nc2c(NCc3ccc(F)cc3Cl)cc(-n3cncn3)cn2c1C 40424405 JMWWMMLEAUJIFI-UHFFFAOYSA-N 370.819 3.936 0 1 FHAF CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCCCC(C)C 95585440 NQEAMIJRUBTYMJ-UHFFFAOYSA-N 365.543 3.505 0 1 FHAF Cc1cc(C(=O)N[C@H](CC(=O)O)c2ccccc2Br)c(C)o1 299859336 XBBWMQSINIVFNN-CQSZACIVSA-N 366.211 3.605 0 1 FHAF C[C@@H]1CCc2cc(Br)ccc2N1C(=O)c1ccc(O)cc1O 653685703 JZKWCVYCWBMBFY-SNVBAGLBSA-N 362.223 3.842 0 1 FHAF N=C(N)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587158120 FQGSOFWNKZKEFM-UHFFFAOYSA-N 370.391 3.992 0 1 FHAF Cc1ncc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587774622 NBCBRIVXESRAEX-VVVCHXIZSA-N 364.262 3.793 0 1 FHAF COc1ccc(F)cc1[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587500453 BZCYQUXCZAWCEN-OAQYLSRUSA-N 370.376 3.658 0 1 FHAF COc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1C 587006529 FNRFGXHAWYAXEZ-UHFFFAOYSA-N 357.211 3.957 0 1 FHAF COCC(=O)C[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587796695 UNMBLSVVRGPVDX-PIGZYNQJSA-N 372.278 3.579 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC21CCOCC1 587606161 BURJYPMOAULMSP-UWJYYQICSA-N 352.386 3.683 0 1 FHAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CCC[C@H]1CN(C1CC1)C2 587483654 DAUORVDWCBNLCL-GJZGRUSLSA-N 355.478 3.943 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CCO[C@H]1C21CCC1 587837797 LDDJZTYQTWFVGH-IGMLBDDESA-N 366.274 3.907 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 586891843 QSKQSDACUBCFKZ-SCLBCKFNSA-N 358.463 3.502 0 1 FHAF C[C@@]1(CN2CCCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592659 IIDQYMPJOMGPHP-KNQAVFIVSA-N 367.445 3.989 0 1 FHAF CCn1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587764406 PLYHHQGOYZIMNP-JDNHERCYSA-N 352.251 3.737 0 1 FHAF COCCn1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587754399 MBWNLESYXSHALE-APPDUMDISA-N 367.262 3.660 0 1 FHAF CN(CCO)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509518 ZNYFCPORHWEKLG-OAQYLSRUSA-N 351.446 3.700 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1nc(C)cs1)[C@@H](C2)C3=O 587453690 YNNYJRZELNHLOF-SCLBCKFNSA-N 352.415 3.740 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(C)s1)[C@@H](C2)C3=O 587449800 HGYHZCNTUGNNIW-ORAYPTAESA-N 358.415 3.573 0 1 FHAF COC(=O)c1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2n1 587050694 ZWGWAXKBYYGCNX-UHFFFAOYSA-N 372.812 3.659 0 1 FHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cnc3ccccc3c2[nH]1 587194498 UYWYPKFASCGSJL-HNNXBMFYSA-N 369.469 3.629 0 1 FHAF O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)N3)[C@@H]1c1ccc(F)cc1 587350252 RPSPACAFTABYMK-NMJBJHEPSA-N 353.393 3.543 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)c(Cl)nc3[nH]1)C2 587246241 FENGOQGVWFFYLX-QGZVFWFLSA-N 363.248 3.616 0 1 FHAF COc1cc2c(cc1OC)[C@](C)(c1ccc3cn(C)nc3c1)N(C)[C@@H](C)C2 962572634 PYDHVYRSJNECTR-FPTDNZKUSA-N 365.477 3.730 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2OC)(C(=O)O)N1 962958950 VFFLVGDAGDMSES-OYHNWAKOSA-N 364.445 3.623 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1c(F)ccc(Cl)c1F)NCC2 962933077 HBCCTLKQVSWZJH-QGZVFWFLSA-N 350.796 3.555 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@@H](C[C@@H]1CCN(Cc3ccccc3)C1)C2 1772646242 TUFQEVJENHMDPV-HKUYNNGSSA-N 365.473 3.971 0 1 FHAF CCNC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169323530 BQWMLHMOZSVPKK-UKCDMBDDSA-N 360.542 3.602 0 1 FHAF Oc1cc(Sc2nnnn2C2CCCCC2)c(O)n1-c1ccccc1 169691907 AWFKRCSXWSVESV-UHFFFAOYSA-N 357.439 3.531 0 1 FHAF Cc1ccc(CN2CCCC[C@@H](NC(=O)c3c(F)cccc3F)C2=O)cc1 200052271 XFZKJOKFRDIYHH-GOSISDBHSA-N 372.415 3.584 0 3 FHAF O=C1NCc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]12Cc1ccccc1 1857559038 YXBAKLIZFKRYCL-URXFXBBRSA-N 368.436 3.816 0 1 FHAF COc1cc(-c2cnc3cnc(-c4ccccc4N(C)C)cn23)ccc1O 1857589035 BJMLDNUCLGQZPP-UHFFFAOYSA-N 360.417 3.844 0 1 FHAF COc1ccc(CNc2ccnc(-c3ccccc3OC)n2)c(OC)c1 4239296 CNLCEEFHXLHMIL-UHFFFAOYSA-N 351.406 3.782 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(SCC)nc(O)c2[C@H]1c1ccncc1 102641561 CKBGMJWDAHMTEJ-IGWPVBGESA-N 372.450 3.733 0 1 FHAF COc1ccccc1CN1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccncc2)cc1 100106744 XRDZUDUCFNSNMO-ACHVPNTGSA-N 371.484 3.697 0 1 FHAF Cc1ccc(C23C[C@@H]4C[C@H](CC(NC(=O)N5CCN(C)CC5)(C4)C2)C3)cc1 100844311 HTHMHMCMLGKYFL-NAMINWQUSA-N 367.537 3.542 0 1 FHAF CC[C@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(C)cc2)C1=O 61959521 GTSRMGIYFBBKTL-QGZVFWFLSA-N 365.481 3.513 0 3 FHAF C[C@]1(C(=O)Nc2cnc3ccccc3c2)CCN1C(=O)CCc1ccccc1 61928615 YFGVEDOSOCGLFW-HSZRJFAPSA-N 373.456 3.797 0 3 FHAF CCCc1nc(-c2ccc(N3CCC(Oc4ccccc4)CC3)nn2)no1 28655407 GQMBGJZXKQUGCQ-UHFFFAOYSA-N 365.437 3.527 0 1 FHAF CC1(C)C=Cc2cc(C(=O)Nc3c(O)c4ccccc4oc3=O)ccc2O1 29125913 ZIIMFBOBJXEVQV-UHFFFAOYSA-N 363.369 3.935 0 1 FHAF Fc1ccc(-c2nc(CN[C@H]3CCN(Cc4ccccc4)C3)co2)cc1 72100985 IAADDYFYUKRNEY-IBGZPJMESA-N 351.425 3.845 0 1 FHAF CC(C)(C)Oc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1 43011729 JMHYAXLRTPAZFX-UHFFFAOYSA-N 374.384 3.743 0 1 FHAF CCN(CC)Cc1ccc(C[C@H]2Oc3cc(OC)c(OC)cc3C2=O)cc1 84899134 ITFZJKJHMZSAEV-OAQYLSRUSA-N 369.461 3.732 0 1 FHAF CCc1ccc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)cc1 97166015 XGNKEIRTQKXTDP-UHFFFAOYSA-N 352.390 3.895 0 1 FHAF O=[S@]1N=C(Nc2cc(Cl)cc(Cl)c2)C(NC2CCCCC2)=N1 253706449 RVNAIMGPZHLZBM-JOCHJYFZSA-N 359.282 3.717 0 1 FHAF COCCOc1cc2ncnc(Nc3c(F)ccc(O)c3C)c2cc1OC 653850158 JBSUWORACSUHFT-UHFFFAOYSA-N 373.384 3.560 0 1 FHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587068783 DFKQXMBDAODGNN-ZDUSSCGKSA-N 369.831 3.826 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C3CC3)nc2)N1 587775276 QIILXGCVSQACFR-XXFAHNHDSA-N 362.246 3.879 0 1 FHAF CC[C@@]1(c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587765818 UIWQRSLGQGEILI-QFYYESIMSA-N 352.251 3.510 0 1 FHAF CCCn1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587755508 AHFXYNMGXLFYEK-QFYYESIMSA-N 352.251 3.818 0 1 FHAF Cc1nn(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c(C)c1Br 586978699 CHXSXEGQJAKDJS-UHFFFAOYSA-N 374.164 3.601 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccc4nc(O)oc4c1)(C(C)C)[C@@H](C2)C3=O 587434959 AMNXHVBIXXMTPR-QKKBWIMNSA-N 365.385 3.841 0 1 FHAF COC(=O)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587808129 NEPLHNXTPFGQLJ-ZMNCSTGQSA-N 370.262 3.681 0 1 FHAF COc1ccc(S(=O)(=O)Cc2nc3cc(C)c(Cl)cc3[nH]2)cc1 586920666 PLUAKDFBATXMJD-UHFFFAOYSA-N 350.827 3.507 0 1 FHAF CCC[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344879 DDUGFECVQHYNNN-GHTZIAJQSA-N 372.392 3.992 0 1 FHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 587784411 GVAGLBAFAFQZRC-RYUDHWBXSA-N 372.222 3.664 0 1 FHAF O[C@H]1C[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)c2ccccc21 586901463 HTAHUGPFSDEUOF-ONGXEEELSA-N 364.630 3.943 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCN3CCCC[C@@H]32)[C@@H]1c1ccc(F)cc1 587346061 KYQZNCFIPIDALI-SJBKTWHCSA-N 367.420 3.887 0 1 FHAF CC(=O)N(C)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587535860 OVXNHSDLZRODSG-QGZVFWFLSA-N 356.447 3.711 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn3ccnc3c2)N1 587774324 MLOBBYNTMCJBNN-BMLIUANNSA-N 360.230 3.860 0 1 FHAF COc1ccc2c(c1OC)[C@@H](C1(C)CC1)N(C(=O)c1ccccc1N)CC2 963161706 UZLPCFUCMWEFEZ-FQEVSTJZSA-N 366.461 3.826 0 1 FHAF CCCCOc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)ccc1OC 962905071 YFBHXVWVEDSJCX-FXAWDEMLSA-N 373.424 3.702 0 1 FHAF COc1cc2c(cc1OC)[C@H](C[C@H](C)C(=O)OC(C)(C)C)N(C)[C@H](C)C2 962618857 DZGVXBSBKHPAAJ-VBQJREDUSA-N 363.498 3.989 0 1 FHAF CCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCN 1772578828 UKWYNGPGDNDJRN-UHFFFAOYSA-N 369.513 3.653 0 1 FHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4Nc5[nH]ncc5C[C@]4(C)[C@H]3CC[C@]12C 5500831 TXIDYABROZTEFW-CSMRHZIVSA-N 357.498 3.921 0 1 FHAF COc1cc2c(C)[nH]c(=O)c(Cc3ccc4ccccc4n3)c2cc1OC 169703364 LFYTZWVONFSGJX-UHFFFAOYSA-N 360.413 3.993 0 1 FHAF Cc1ccc(-c2noc(CC3CC3)n2)cc1NC(=O)c1cnc2ccccn12 206107708 WMOJCMVDOZBWHB-UHFFFAOYSA-N 373.416 3.898 0 1 FHAF O=C1N[C@@H](c2c[nH]nc2-c2ccccc2)Nc2cc(Br)ccc21 1857630373 BKOFNQARVOSLSP-INIZCTEOSA-N 369.222 3.693 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N1CCOCC1 4216479 SNVUVMVCBOOZCU-IRXDYDNUSA-N 350.484 3.621 0 1 FHAF COc1cccc(NC(=O)CCC(=O)N2C[C@H](C)Oc3ccc(C)cc32)c1 6797884 CQOFXJXSFILPNW-HNNXBMFYSA-N 368.433 3.536 0 3 FHAF COc1ccc(-c2noc(C(=O)N[C@@H](C)c3ccccc3)c2[C@@H](C)O)cc1 2356293744 KAFBVLXWVJXESH-UONOGXRCSA-N 366.417 3.895 0 1 FHAF O=c1oc2ccc(Cl)cc2n1Cc1cn(-c2ccc(Cl)cc2)nn1 103275527 BCEWKCNPPLQLLR-UHFFFAOYSA-N 361.188 3.530 0 1 FHAF Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=N[C@@H]2CC(=O)O 27727533 QDKCFHXLUQBVRL-OAHLLOKOSA-N 366.808 3.596 0 1 FHAF CCCOc1ccc(C[C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)cc1 116195548 YZOLXOXPGRZJJE-INIZCTEOSA-N 351.406 3.920 0 1 FHAF COc1cc2c(cc1CC=C(C)C)[C@@]1(O)COc3cc(O)ccc3[C@@H]1O2 2356487560 DTGTZDVJTVSZDV-SFTDATJTSA-N 354.402 3.623 0 1 FHAF C[C@@H]1CC[C@H]([C@H](C)CC[C@@H](O)C(C)(C)O)c2cc(C(=O)O)cc(O)c21 2356866646 VODICXPZWAGZPJ-CTWCOEIASA-N 350.455 3.619 0 1 FHAF CC(=O)c1ccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)cc1 36161225 PKZKTTNSZBBTOP-UHFFFAOYSA-N 370.364 3.780 0 1 FHAF O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1F 43120292 SVNHSWOLAOCSKO-UHFFFAOYSA-N 359.832 3.737 0 1 FHAF COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3)c2cc1OC 40936571 WOEYXCYMEBMDRV-UHFFFAOYSA-N 357.797 3.748 0 1 FHAF COc1cc(OC)cc(Oc2cc(NCc3ccccc3OC)ncn2)c1 82068286 MNAZNRJCJKJEJL-UHFFFAOYSA-N 367.405 3.907 0 1 FHAF Cc1cccc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1 144305270 WRBYOTSWEJDNOE-UHFFFAOYSA-N 373.504 3.835 0 1 FHAF COc1ccc([C@]2(c3cccc(-c4cccnc4)c3)N=C(C)C(N)=N2)cc1 95574023 PHOHQSLNKFJNQU-QFIPXVFZSA-N 356.429 3.790 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(Cl)c(Br)c2)C[C@H]2CC[C@H]1N2C 261085334 CLDUXOXUODATIA-YIKOMLBNSA-N 372.690 3.842 0 1 FHAF CC(C)[C@]1(O)CC[C@]2(C)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)c3ccccc3)[C@@H]21 38986975 KCLKOOIYAAERJD-XBWUDYBRSA-N 358.478 3.967 0 1 FHAF biogenic COc1ccc(C[C@H](O)C(=O)c2cc(CC=C(C)C)c(O)cc2OC)cc1 43012870 GHGQPDUKAGNTSF-FQEVSTJZSA-N 370.445 3.704 0 1 FHAF biogenic O=c1c(-c2cccs2)nnc2n1CCN2c1ccc(Cl)c(Cl)c1 473083634 OVCSDCKBTYHPSC-UHFFFAOYSA-N 365.245 3.825 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N(C)C)N1 587755857 PTQJIAUXQUMYHB-HWPZZCPQSA-N 364.262 3.673 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1Cn1cncn1)CC2=O 587474939 IMMSGKFXYCINBP-VBKZILBWSA-N 355.438 3.531 0 1 FHAF C[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccc2c(O)nc(O)nc2n1 587368744 WGBHUPWOVGKSJZ-MRVPVSSYSA-N 351.284 3.595 0 1 FHAF Cc1ncc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587772719 GHZMCAWJHVNKHC-XLFHBGCDSA-N 364.262 3.793 0 1 FHAF COc1ccc(OC)n1-c1nn(COc2ccccc2F)cc1Cl 587944979 FXIOXSTZAAKXFD-UHFFFAOYSA-N 351.765 3.520 0 1 FHAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(F)F 587381213 CWXMZWWAZVXSGF-MRXNPFEDSA-N 363.360 3.936 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ncc1O 587550877 CQJHYCOEFHGUEH-VQIMIIECSA-N 369.760 3.849 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)nc2F)N1 587738337 NELMGQOOSNEHNW-NXSYQRQQSA-N 357.173 3.885 0 1 FHAF Cn1cc(-c2nc3c(F)cnc(Br)c3[nH]2)c(C(F)(F)F)c1 587112486 NFRSQZQPZADKAY-UHFFFAOYSA-N 363.112 3.884 0 1 FHAF COc1cc(Br)cc(C=O)c1OCc1nc2ccccc2[nH]1 586979785 BDBWDKABIKFIJG-UHFFFAOYSA-N 361.195 3.726 0 1 FHAF Cc1nccn1CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988107 ZGKMMYMRMXSPQE-UHFFFAOYSA-N 355.397 3.899 0 1 FHAF COc1ncc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587407 MQXOFRVYORJZGK-YLJYHZDGSA-N 363.369 3.807 0 1 FHAF COc1ccc(C(=O)O)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526153 RUVGVZVAQXCWEZ-IBGZPJMESA-N 352.386 3.979 0 1 FHAF FC(F)(F)c1nn(Cc2nc3cc(Cl)ncc3[nH]2)c2c1CCCC2 587120316 XWTSNFCOVOCQJD-UHFFFAOYSA-N 355.751 3.754 0 1 FHAF COc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1OC 587092526 VHPHYMVVEDGOQX-UHFFFAOYSA-N 353.300 3.583 0 1 FHAF NC(=O)c1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587196923 ZVHDZRSJFLKLQN-UHFFFAOYSA-N 356.429 3.869 0 1 FHAF COc1cc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cnc1OC 962720931 XSFAUOXLNPSRTR-IFXJQAMLSA-N 374.481 3.691 0 1 FHAF COc1ccc2c(c1)[C@@](C)(Cn1nc(Cl)nc1Cl)N(C(C)C)CC2 962094835 SZGVWZABDJFNNZ-QGZVFWFLSA-N 369.296 3.775 0 1 FHAF C[C@@H]1COc2ccccc2[C@@]12c1c(Cl)ccc3c1CCN2[C@H]3C(=O)O 962570938 HZRRKNPUWMTMOO-ZUNHGIIWSA-N 355.821 3.610 0 1 FHAF C[C@@H](O)c1cc(C(=O)N[C@H](C)c2ccccc2F)ccc1-c1cn[nH]c1 1772582675 LYLJYIZTSPUCNP-CHWSQXEVSA-N 353.397 3.760 0 1 FHAF COc1c(Br)cc2c(c1Br)OC(=O)C2=C(C)C 5158475 IPLSHQKIQOKXJD-UHFFFAOYSA-N 362.017 3.933 0 1 FHAF biogenic CCO[C@@H]1OC(C(=O)O)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO 13634774 OJHZGGMQRDQLCI-CKEIUWERSA-N 374.355 3.539 0 3 FHAF COc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(OC)c1 13679232 MTTHTAYIMMMAOW-UHFFFAOYSA-N 364.405 3.863 0 1 FHAF COc1cccc(NC(=O)c2cc(O)nc3cc(Br)ccc23)c1 1857629138 YGHFMFSUQTVGMP-UHFFFAOYSA-N 373.206 3.964 0 1 FHAF CC(C)(C)OC(=O)N1O[C@H]2C[C@H]1[C@H]1[C@H]2N=NN1C12CC3CC(CC(C3)C1)C2 2356322346 SGSWOUZDWXBBJQ-ZJEIRLSYSA-N 374.485 3.698 0 1 FHAF Cc1ccc(/C=C2\SC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 103212734 RGXDZUZSCTVERM-YBEGLDIGSA-N 353.399 3.930 0 1 FHAF Cc1c(-c2ccccc2)oc2cc(OC[C@@H](O)CNC(C)C)ccc2c1=O 29555301 OUIJNYOMOAKOST-KRWDZBQOSA-N 367.445 3.506 0 1 FHAF CC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](O)C(C)(C)O2 27519535 UFWVSNZKEVMALD-MSOLQXFVSA-N 373.836 3.546 0 1 FHAF COc1ccc2c(c1O)[C@@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 29237230 KLDLDBNUSYRDQT-WCIIELQWSA-N 369.505 3.540 0 1 FHAF Cc1ccc(CNCC2(F)C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2)nc1 64548626 QQEUXAKRLNGTFT-RLAPIPATSA-N 367.468 3.655 0 1 FHAF CC=C1[C@H]2C[C@H]3c4c(c5cc(O)ccc5n4[C@@H](C2)O[C@H]1OC)CCN3C 2356524492 GNHJRZWCDXRDDL-ZHUQFMPJSA-N 354.450 3.734 0 1 FHAF Cc1ccc2nc(CO[C@@H]3CN(C(=O)Nc4ccccc4)C[C@@H]3F)[nH]c2c1 2356746985 HECXUAYLIIRDMB-MAUKXSAKSA-N 368.412 3.642 0 1 FHAF CCCCOC(=O)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@H]2[C@H]1O 66058952 KSSLEJDPSBCEDM-HUJIQXBTSA-N 358.478 3.789 0 1 FHAF COc1cc([C@@H](O)c2nc(-c3cccc(C(=O)O)c3)cs2)ccc1F 61905416 XOTTXEUVIXNSAD-MRXNPFEDSA-N 359.378 3.738 0 3 FHAF COc1cc(OC)c(C[C@@H]2C(=O)c3ccccc3C2(C)C)c(C(=O)O)c1 13383537 OFASBMPLCKZWQK-QGZVFWFLSA-N 354.402 3.735 0 1 FHAF biogenic CC(=O)Nc1ccc(-c2nc3c(C)c(C)ccc3c(C(=O)O)c2O)cc1 35086948 LXAYJWRAXDNSOJ-UHFFFAOYSA-N 350.374 3.881 0 1 FHAF COC1=C[C@@H](OC)c2ccc3cc(OC)c(OC)c(OC)c3c2[C@@H]1OC 40836546 SWBYAKHCJSRELV-FZKQIMNGSA-N 360.406 3.785 0 1 FHAF OCc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 40972541 HWNJFZICDNZALT-UHFFFAOYSA-N 364.395 3.751 0 1 FHAF O=C(Nc1ccc(NC(=O)c2nccs2)c(Cl)c1)c1ccccn1 82153860 NRPKYBDEADBVNE-UHFFFAOYSA-N 358.810 3.696 0 1 FHAF COc1ccc(C(=O)Nc2cnc(-c3ccc(C(=O)O)cc3)s2)cc1 84739612 KCAZDYAGUXKKQM-UHFFFAOYSA-N 354.387 3.769 0 1 FHAF CCCS(=O)(=O)CCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N)CC2 141823784 SIPHFNMNWJYHIT-VXKWHMMOSA-N 371.546 3.654 0 1 FHAF CCOc1cc2c(cc1OC)-c1cc3cc(OC)c(OC)cc3c[n+]1CC2 95564802 HJHIQLLSPWWQAH-UHFFFAOYSA-N 366.437 3.775 0 1 FHAF CCNS(=O)(=O)c1ccc(NC2CCCC2)c(NCc2ccccc2)c1 653717532 MLRINOOKRNTIBY-UHFFFAOYSA-N 373.522 3.951 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)nn2)N1 587704579 JPHSGGHTXPPQQW-UOWDBTKRSA-N 356.626 3.655 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ncc[nH]1)O2 587379830 XJKFMNXLYJTGRD-LJQANCHMSA-N 353.809 3.863 0 1 FHAF COc1ccc(-c2cc(O)n(-c3ccnc(Br)c3)c2O)cc1 587941209 RYSSFWXDYUTHPC-UHFFFAOYSA-N 361.195 3.722 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCCOC 587860355 ULFNIJAXLSYGKA-UHFFFAOYSA-N 374.293 3.625 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(=O)O)[nH]c3ccc(C)cc13)O2 587396040 JAQXSPBYVWBWEN-MRXNPFEDSA-N 350.374 3.772 0 1 FHAF N=C(N)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134423 LDRBEJHOPAZKDE-RQOWECAXSA-N 352.266 3.713 0 1 FHAF CC[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCO1 587616412 JPRQRIQGACJICP-PHAJSTNCSA-N 354.402 3.928 0 1 FHAF CCN1C(=O)C[C@@H](c2nc3ccnc(OC)c3[nH]2)[C@@H]1c1ccccc1Cl 587062398 VNIOUVHNPHOBQS-PXAZEXFGSA-N 370.840 3.697 0 1 FHAF Cc1ccc(C)c2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc12 586920036 DSXVBEUGRHMMQK-UHFFFAOYSA-N 354.475 3.685 0 1 FHAF C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441707 HAFZWMWCGOTGPX-AHTANNQYSA-N 370.445 3.737 0 1 FHAF Cc1cc(C)c2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2c1 587164335 SMSJHRBFZADOPQ-UHFFFAOYSA-N 350.397 3.597 0 1 FHAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)s1 587014548 NBIGQJNVWHHYQR-JTQLQIEISA-N 356.451 3.977 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)C(C)C 586933932 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COc1ccc2c(c1OC)[C@H](c1c(OC)ccc(F)c1F)N(C)[C@@H](C)C2 962565543 HTHQNRMVTREJQO-JEOXALJRSA-N 363.404 3.956 0 1 FHAF Cc1nc2ccc(Cl)cn2c1[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962911116 OSMRLUVPNFUVNR-IBGZPJMESA-N 357.889 3.562 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@](CCOc3ccccc3)(C3CC3)c3cccc1c32 963023955 JFLVLFUIFLTHNH-MWTRTKDXSA-N 362.473 3.814 0 1 FHAF CSc1ccc([C@@]2(C3CC3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963508716 MAKBWZDPILODKX-LAUBAEHRSA-N 369.486 3.675 0 1 FHAF C[C@]1(c2cc(F)cc(F)c2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963233648 PHGIAAFXQJEHTA-FXAWDEMLSA-N 372.346 3.515 0 1 FHAF COc1c(C(=O)O)cccc1C(=O)NCc1ccc(Cl)c(Cl)c1 205646728 KJHFFJDJSGIVMD-UHFFFAOYSA-N 354.189 3.630 0 1 FHAF CNc1nc(Nc2ccc(-c3cocn3)c(OC)c2)nc(-c2ccccc2)n1 13490420 YLHQLQNPLRPGTM-UHFFFAOYSA-N 374.404 3.988 0 1 FHAF Cc1nnc2sc(C(=O)N3C[C@@H](c4cccc(F)c4)[C@@H]3C)c(N)c2c1C 1857644394 VVSZXIDQYRKLBW-SMDDNHRTSA-N 370.453 3.658 0 1 FHAF COC(=O)c1cc2c(cc1OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1CC2 1857764000 TYVJHZJTEWXOBT-UIFIKXQLSA-N 360.450 3.665 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@@H]2C[C@@H](O)[C@H]1CC=CCCCC(=O)O2 253634317 QVNXPVRCJMCIQT-HYBLSDLFSA-N 350.499 3.913 0 1 FHAF Cc1ccc(C23C[C@@H]4C[C@@H](CC(NC(=O)N5CCN(C)CC5)(C4)C2)C3)cc1 1476092 HTHMHMCMLGKYFL-MGAZVUHYSA-N 367.537 3.542 0 1 FHAF C[C@H](C(=O)O)[C@]1(CCc2ccoc2)O[C@H](O)[C@@H]2C(C)(C)CCC[C@@]21C 2356411131 ILDYTTOXFAJMBX-UJSLSXSBSA-N 350.455 3.853 0 1 FHAF COC(=O)c1cccc(-c2ccc3ccc(Br)c(O)c3n2)n1 103269047 VEOYCKVGIOAVEX-UHFFFAOYSA-N 359.179 3.552 0 1 FHAF OCCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3c(Cl)cccc32)CC1 22937783 ADWYWJGQPNBBNY-AZUAARDMSA-N 374.887 3.666 0 1 FHAF CCC(=O)N(c1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCC[C@@H]1N(C)C 28239332 SAIDPJNHMVNROB-DTWKUNHWSA-N 350.331 3.608 0 1 FHAF CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)Oc2ccccc2)CC1 22460235 BJGCGXPXLXSBLO-VQIMIIECSA-N 373.522 3.604 0 3 FHAF CC(C)N(CC[C@@]1(c2ccccc2)C(=O)N[C@H](C)N2CCCC[C@@H]21)C(C)C 28755268 FEKYBEXKIPSLIU-WPYKKVEZSA-N 371.569 3.764 0 1 FHAF COc1cc2c3c(ncc2c(OC)c1OC)-c1cc2c(cc1C3)OCO2 28463059 NOVBELMRWYGGRF-UHFFFAOYSA-N 351.358 3.561 0 1 FHAF Cc1ccc2c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)nn2n1 28385092 KUIFHRZDNYUKEH-UHFFFAOYSA-N 363.442 3.775 0 1 FHAF CCc1nc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 28958876 UBPWFWBINBFSQP-IBGZPJMESA-N 353.491 3.633 0 1 FHAF COc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 66259900 CAWQOMMAUJXNKF-UHFFFAOYSA-N 358.511 3.668 0 1 FHAF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3C=C[C@]12O 85598708 AFPPVJHFFGBKOB-AAGQCFESSA-N 372.461 3.695 0 1 FHAF CC1=CC[C@@H]2[C@@H](O[C@H](c3ccc(Br)cc3)OC2(C)C)[C@@H]1O 96933447 NZLWGSWBDBCMOA-FPCVCCKLSA-N 353.256 3.969 0 1 FHAF CC(C)(C(=O)O)[C@H]1CC[C@@]23C[C@@H](CC[C@H]2[C@]1(C)CC(=O)O)[C@]1(C)O[C@@H]13 238763559 QGTMYAPGXJWNQR-RZXHAHPMSA-N 350.455 3.562 0 1 FHAF O=C(O)CCC/C=C/C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1CNCCNc1ccccc1 253771092 HMZUDQZKIYDION-XSWJXHDVSA-N 372.509 3.683 0 1 FHAF CNC(=O)c1cccc2c1nc(-c1ccccc1O)n2Cc1ccccc1 653790941 JGGVCLFLOLHMSW-UHFFFAOYSA-N 357.413 3.817 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)C=C2Cl)N1 587703110 FTNBCIVZQMVJJY-VFZGTOFNSA-N 357.654 3.857 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(CC(F)F)n2)N1 587720318 SJQXGGNOFNQFPL-AYVTZFPOSA-N 374.204 3.673 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nccnc1Cl 587553767 VSVNVAUSBZFPIY-SUMWQHHRSA-N 354.749 3.539 0 1 FHAF Cc1nc2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc2cc1Br 587163210 IOSZKVDJXWGJAM-AWEZNQCLSA-N 363.234 3.819 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CCO[C@H]1C21CCC1 587839427 SDUQCZQJOIHHCH-HKXICLBPSA-N 366.274 3.907 0 1 FHAF O=S(=O)(O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587073871 MYNXCNKOLPWCMG-UHFFFAOYSA-N 362.838 3.933 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(COC(=O)c1ccccc1N)CC2=O 587472522 JCZNNEPKESJERJ-OAQYLSRUSA-N 369.417 3.508 0 1 FHAF COC(=O)C1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587804770 FLKDXQAVFXUSNI-LJRHVDQYSA-N 370.262 3.681 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc(Cl)nc1N 962372976 LANWHGDMANOPES-KRWDZBQOSA-N 358.898 3.865 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1nccnc1-c1ccco1 963057950 PNVVVVLQEAWSIX-HXUWFJFHSA-N 358.401 3.529 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@](Cc3ccccc3)(c3cccnc3)c3cccc1c32 963035627 SHWSMRGPOPSQRG-KOSHJBKYSA-N 369.468 3.621 0 1 FHAF Fc1cc2c(c(OCCNCCc3c[nH]c4ccccc34)c1)OCCC2 13581127 ISBIUGFQLVFPNK-UHFFFAOYSA-N 354.425 3.843 0 1 FHAF CNC(=O)c1cccc([C@]2(C)CCN(CCc3ccccc3)C[C@@H]2C)c1 13587974 ZKUFOUJYDOLPRR-FDDCHVKYSA-N 350.506 3.888 0 1 FHAF Cc1ccc(CNCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1C 169336030 PXUSOZSXSZCRFB-UHFFFAOYSA-N 372.472 3.929 0 1 FHAF O=C(N[C@@H]1CCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 169350897 YDXMBTKCMJMZID-VQTJNVASSA-N 351.425 3.748 0 1 FHAF CN1O[C@]2(N=C1N)c1cc(Cl)ccc1CC21CCc2ccccc2CC1 169700355 QUQKATHRDQFVIH-OAQYLSRUSA-N 367.880 3.806 0 1 FHAF O=C1c2cc(-c3ccc(Cl)cc3)ccc2OCCN1Cc1ncccn1 206187795 AYWLPUAFULBTEN-UHFFFAOYSA-N 365.820 3.832 0 1 FHAF CCC(CC)c1cc([C@@H]2CN3CC[C@H]2C[C@H]3CO)nc(-c2ccncc2)n1 2356424949 AFYSCWJSGIIGGW-GBESFXJTSA-N 366.509 3.612 0 1 FHAF O=Cc1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1 3814264 RFIGHRHRDRSKGU-UHFFFAOYSA-N 350.462 3.531 0 1 FHAF COc1cc([C@H](c2ccc(OC)c(OC)c2)[C@@H](C)[C@H](C)CO)ccc1O 2356391382 PURUHRMXNLKKNY-HKZYLEAXSA-N 360.450 3.814 0 1 FHAF C[C@@H](N1C(=O)C(=O)N(c2ccccc2F)C1=O)C12CC3CC(CC(C3)C1)C2 1911580935 SKPLGGPOYAWCPJ-CSNVJCEJSA-N 370.424 3.726 0 1 FHAF COC(=O)c1ccc(N(OC)C(=O)c2ccc3c(c2)C(C)(C)CCO3)cc1 27517866 ANHGSIRAKDNVNC-UHFFFAOYSA-N 369.417 3.742 0 1 FHAF N[C@H]1CC[C@@H](Nc2cc(Br)cc3cc(C(=O)O)oc23)CC1 101419212 BLBAWGODFTZAEY-XYPYZODXSA-N 353.216 3.575 0 1 FHAF C[C@@H]1Oc2c(-c3ccc(O)cc3)cnc(O)c2[C@H]2[C@@H]1C[C@@H](C)[C@@H](O)[C@@H]2C 2356723189 AUGZUCOCYQVSPC-PPNTWCOGSA-N 355.434 3.677 0 1 FHAF COC[C@@H]1CCCN1C[C@@H]1C=C(C)[C@@H](Cc2nnc(C)o2)C[C@H]1C(C)C 2356813161 CDWQTSRACBCRAW-FYQPLNBISA-N 361.530 3.886 0 1 FHAF CCC[C@H]1C(=O)NN=C(c2ccc3nc(-c4cccn4C)oc3c2)[C@@H]1C 139775228 ODOXUJACXXJMEW-TZMCWYRMSA-N 350.422 3.720 0 1 FHAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1N1CCNCC1 45192992 DKGQVWOMRVLOOD-UHFFFAOYSA-N 364.371 3.759 0 1 FHAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4O 40866796 MMHFEYHDUYNEDJ-KSPRCXDYSA-N 364.526 3.542 0 1 FHAF C[C@H]1c2[nH]c3cc(-c4ccccc4)ccc3c2C[C@@H]2C(=O)N(C)C(=S)N12 95592022 QZNTWERQBYPCDW-KPZWWZAWSA-N 361.470 3.880 0 1 FHAF O=C(CC12CC3CC(CC(C3)C1)C2)N1C[C@@H]2CN(c3ccccn3)C[C@@H]2C1 96283285 FGLNLMWPPRTVSQ-VVQVYFJTSA-N 365.521 3.583 0 1 FHAF Cc1ncc(C(=O)O)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 254135000 VRNUGKOLVIVNBO-HDJSIYSDSA-N 354.406 3.899 0 1 FHAF CN(Cc1ccc(Br)o1)C(=O)c1cc2ccc(F)cc2[nH]1 299823826 AXMHVAFQMVTFMC-UHFFFAOYSA-N 351.175 3.935 0 1 FHAF CC(C)[C@@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587614260 BQJFJTJFLOKDOA-UEXGIBASSA-N 354.402 3.928 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)NC1CCCCCCC1)[C@@H](C2)C3=O 587433011 OLOCIRJWTGGCGD-HTAPYJJXSA-N 371.477 3.821 0 1 FHAF O=C(O)CC[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587514695 IZQAPJMKESUGQS-NRFANRHFSA-N 351.402 3.686 0 1 FHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 587783835 AWHNAHJICGMZAE-QWHCGFSZSA-N 372.222 3.664 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cccc1O 587607277 HGFYALHWALMZNG-XLIONFOSSA-N 350.326 3.506 0 1 FHAF COc1cc(O)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805223 DTQQQFMSRPEBHN-HUTHGQBESA-N 366.230 3.926 0 1 FHAF CC[C@]1(C2CCNCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587792213 HEBPHEAIJZTKTG-PIGZYNQJSA-N 355.295 3.727 0 1 FHAF Cc1ncn(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587754210 KPYVBTPNZWIIPA-BTDLBPIBSA-N 366.278 3.851 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)O2 587401124 SOHINIBKNRNFAU-VWLHBSKXSA-N 372.465 3.558 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC3(C2)OCCO3)N1 587837486 HPYCSIYWFXUFBZ-ZBEGNZNMSA-N 370.262 3.635 0 1 FHAF COc1ccc(-c2nc3ccc(F)cc3[nH]2)c(I)c1 587180703 XKPDBBDNCONIDE-UHFFFAOYSA-N 368.149 3.982 0 1 FHAF CCCCNS(=O)(=O)c1ccc2nc(Cc3cc(C)ccc3C)[nH]c2c1 587958505 GKUFRHBCPRILQO-UHFFFAOYSA-N 371.506 3.849 0 1 FHAF COc1ncccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587766296 GALMQRSCRMQMQN-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF O=S(=O)(c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)N1CCCC1 587216709 KKLGJGVKVCQGRV-UHFFFAOYSA-N 364.470 3.785 0 1 FHAF CC(C)(SCC(=O)O)c1nc2cc(Br)c(F)c(F)c2[nH]1 586959700 PLFAEHWRPFTONX-UHFFFAOYSA-N 365.199 3.657 0 1 FHAF O=C(NCCc1ccccc1Cl)NCc1ccc(Cc2c[nH]cn2)cc1 13439951 WREXENSOFPCGGR-UHFFFAOYSA-N 368.868 3.696 0 1 FHAF OCc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1 13580899 ZRVXNDIHCVWDSH-UHFFFAOYSA-N 353.426 3.548 0 1 FHAF Cc1ccc(C(=O)N2c3ccccc3[C@H](N3CCCC3)[C@@H](O)[C@@H]2C)cc1 13652391 LUUPFTFSICTSSR-NDXORKPFSA-N 350.462 3.542 0 1 FHAF FC1(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCNCC1 205246164 PUFGHIKHLWSUIZ-UHFFFAOYSA-N 374.423 3.630 0 1 FHAF CC1(C)N[C@H](CCc2ccc(O)cc2)CC(=O)[C@@H]1Cc1ccc(O)cc1 1857574776 ITHHUWIFVJJZCS-XLIONFOSSA-N 353.462 3.599 0 1 FHAF CCCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)/C=C/c1ccccc1 1857617253 LEXLVWOIBWHSGL-ASMGXLIMSA-N 360.457 3.940 0 1 FHAF O[C@H](Cn1ccnc1)c1ccc(OCc2ccc(Br)cc2)cc1 1857633797 BLSSFSDCOMRPNL-GOSISDBHSA-N 373.250 3.958 0 1 FHAF O=C(NC[C@H]1CCCO1)[C@H]1c2ccccc2C(=O)N1C1CCCCCCC1 2467472 FLJJFLPHXYYLAX-YLJYHZDGSA-N 370.493 3.592 0 3 FHAF C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 6522880 YJFRCGBSROETFJ-IFBKPWEPSA-N 367.917 3.897 0 1 FHAF COc1ccc(-c2noc(NCCCN3[C@@H](C)CCC[C@@H]3C)n2)cc1OC 6935949 HYKOHJXNGSFSGZ-GJZGRUSLSA-N 374.485 3.819 0 1 FHAF O=C(Nc1n[nH]c2ncc(Br)cc12)c1ccc(Cl)cc1 53313759 OPGGIBFVNRPGEJ-UHFFFAOYSA-N 351.591 3.626 0 1 FHAF COc1cccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)c1 28871910 ZGJRZDNEIXHOTP-UHFFFAOYSA-N 372.425 3.554 0 1 FHAF O=C(O)C1CN(C/C=C/c2ccc(OCCCc3ccccc3)cc2)C1 72170887 ZSUDJDWTJJCLOM-XBXARRHUSA-N 351.446 3.728 0 1 FHAF CO[C@@H]1c2ccc3occc3c2O[C@@]1(Cc1ccc2c(c1)OCO2)OC 13384134 UJWUVLDBYXPHQN-WOJBJXKFSA-N 354.358 3.827 0 1 FHAF biogenic CCO[C@@H]1C[C@H](C2=CCOC2=O)C[C@@H]2c3c(c4ccccc4n31)CCN2C 13309540 HUPABXKIDWFUOR-JSNMRZPZSA-N 366.461 3.599 0 1 FHAF biogenic CC1(C)C=Cc2c(cc3c(c2O)[C@H]2Oc4cc5c(cc4[C@@H]2CO3)OCO5)O1 14613189 NMOUYFFKLRGDSS-YUNKPMOVSA-N 366.369 3.915 0 1 FHAF biogenic Cc1cccc(C(=O)n2nc(C(=O)OCC(F)(F)F)c3ccccc32)c1 72175730 LDBDVPKKZZLKRF-UHFFFAOYSA-N 362.307 3.752 0 1 FHAF O=C(O)C[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1 49045309 COVRGMXLINYFFZ-STQMWFEESA-N 374.849 3.796 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2ccncc2c1=O 49111264 QVPKHRFTCWCWIQ-UHFFFAOYSA-N 356.381 3.810 0 1 FHAF COc1cc(-c2n[nH]c3ccnc(-c4ccco4)c23)cc(OC)c1OC 82078594 XARKDAPEDDCBKJ-UHFFFAOYSA-N 351.362 3.911 0 1 FHAF O=C(N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1ccc(F)cc1 199714512 RWOXHPAYMKPCEO-GOSISDBHSA-N 374.843 3.790 0 3 FHAF CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3ccc(N)cc3n2)c1 299837369 QNGWEXJLDPKDTA-UHFFFAOYSA-N 370.840 3.510 0 1 FHAF CC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587120107 RIMDUCOAEKFPFT-UHFFFAOYSA-N 362.355 3.908 0 1 FHAF Cc1csc([C@@](O)(Cc2nc3cc(C)c(C)cc3[nH]2)C(F)(F)F)n1 587094330 PVPROVUSWGRTKI-HNNXBMFYSA-N 355.385 3.937 0 1 FHAF CCOC(=O)Cc1ccccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399542 KQRXMISDSCREFC-NRFANRHFSA-N 353.418 3.563 0 1 FHAF Fc1ncc(Br)cc1-c1nc2ccnc(Br)c2[nH]1 587177884 DWXXPOZJGPHNCT-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF C[C@]1(C2=COCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360820 WONXRZATRZKUFW-UYAOXDASSA-N 356.349 3.537 0 1 FHAF COc1cncc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587017046 FXAZXEWFINAFMK-UHFFFAOYSA-N 350.403 3.692 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)O2 587396714 VTJXPQKAFMTCIG-QGZVFWFLSA-N 360.454 3.558 0 1 FHAF COc1ccc(OC)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1OC 587793050 JHDJFXAQRWPHGS-UHFFFAOYSA-N 354.193 3.958 0 1 FHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccccn1 587623712 MFZRLAVNKHBDQQ-UHFFFAOYSA-N 355.195 3.741 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1ccc3c(c1)CCO3)O2 587394546 HFNMVSZSIOZZGO-QHCPKHFHSA-N 372.424 3.816 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)O)c2ccccc21 587490128 QNUTXVRMSVBUOK-YCRPNKLZSA-N 352.386 3.777 0 1 FHAF CCOC(=O)C[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587401262 VDWXEQVRXVTLTC-OAQYLSRUSA-N 353.418 3.700 0 1 FHAF COc1cc(-c2nc3c(C)cnc(Cl)c3[nH]2)nn1-c1ccccc1F 587157175 XEDXDIJLLRRQLG-UHFFFAOYSA-N 357.776 3.920 0 1 FHAF COc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587856212 WTRJYPUJGCSMEI-UHLUBPPHSA-N 357.248 3.677 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(O)ccc1C2 587613305 YEJSFPQYJGBCSS-OFNKIYASSA-N 374.392 3.987 0 1 FHAF CC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354544 UXFNHKFLCGZQIK-UYAOXDASSA-N 358.365 3.602 0 1 FHAF O=C(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)OCc1ccccc1 587782673 WMSDNCVOCIMKSU-UHFFFAOYSA-N 350.296 3.747 0 1 FHAF COC(=O)c1cc2[nH]c(C(C)(C)Nc3ccc(OC)cc3)nc2cc1OC 587201583 SWDAKNPCRDZHHL-UHFFFAOYSA-N 369.421 3.714 0 1 FHAF Oc1nc(O)c2ccc(-c3cc4cccc(Br)c4o3)nc2n1 587365467 DCNGBNHTTBOEHM-UHFFFAOYSA-N 358.151 3.612 0 1 FHAF Cc1cncc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587002199 VCMJTHNQHBEMTP-NSCUHMNNSA-N 372.222 3.970 0 1 FHAF Cc1ccccc1[C@]1(C[C@H]2CC[C@@H](C(=O)O)C2)NCCc2ccc(O)cc21 963340025 DYTWSIBWKOOFGG-XAEMIUIASA-N 365.473 3.981 0 1 FHAF C[C@@H](C(F)(F)F)[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962909279 WRYANMFHIMHGPN-DJCROIMJSA-N 367.342 3.867 0 1 FHAF Cc1nc2ccccc2c([C@@]2(C)NCCc3c2c(C(C)C)nn3C)c1O 962919638 QCIBHJICDUMUJR-OAQYLSRUSA-N 350.466 3.515 0 1 FHAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cc(F)cc(C(F)(F)F)c1 5885969 HSCCEVQMUDOJOC-UHFFFAOYSA-N 370.346 3.701 0 1 FHAF C[C@@H](NC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21)c1ccccc1 13585225 GDJCEUYIQJRPFO-ALKREAHSSA-N 352.434 3.921 0 1 FHAF O=C([C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)CCCC(C1CC1)C1CC1)N1CCCC1 13756423 VPQCFOIXZVLOIW-LQWHRVPQSA-N 358.526 3.595 0 1 FHAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC(C1CC1)C1CC1)N1CCCC1 13756427 LNQURLDSRQCVCN-JBACZVJFSA-N 372.553 3.985 0 1 FHAF C[C@H](CSc1ccccc1)NC[C@@H](O)COc1ccccc1Cl 169327298 YNENMVYYNGMVIH-HUUCEWRRSA-N 351.899 3.850 0 1 FHAF CC(C)(C)[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204424277 NZHURFGZCYMRPW-HNNXBMFYSA-N 353.388 3.659 0 1 FHAF COc1ccc(Oc2nc(Nc3ccc(F)cc3)ncc2NC(N)=O)cc1 1857534262 GUIVZWFVLGEODL-UHFFFAOYSA-N 369.356 3.651 0 1 FHAF CCCN(C/C=C/I)[C@H]1CCc2cc(O)ccc2C1 13739886 AQKFTLWWZGTUKW-GZTQLTBSSA-N 371.262 3.910 0 1 FHAF CS(=O)(=O)Nc1ccc(N2Cc3c[nH]c4ccc5nccc2c5c34)cc1 1863790 CCCUTHXIMXYURZ-UHFFFAOYSA-N 364.430 3.739 0 1 FHAF CCOc1ccc(N(CC)C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)cc1 3906742 YIZATFLIBIFWAC-UHFFFAOYSA-N 366.417 3.860 0 1 FHAF Cc1c(CNCc2ccco2)c(C(=O)O)c(C)n1Cc1ccccc1F 8932433 TYKPGZUPMLLWKN-UHFFFAOYSA-N 356.397 3.873 0 1 FHAF CC1(C)CCc2cc3c(C(F)(F)F)cc(NS(C)(=O)=O)nc3cc2N1 100848318 JLOZHSNYHDAVSC-UHFFFAOYSA-N 373.400 3.762 0 1 FHAF Fc1ccc([C@H]2C[C@@H]3CC[C@H](N3)[C@@H]2COc2ccc3c(c2)OCO3)cc1 100801366 HAHQKXHPHSTOFJ-AITUJVMLSA-N 355.409 3.858 0 1 FHAF CC(C)(C)CNC(=O)[C@@]1(C)CCN1C(=O)Cc1ccc(C(C)(C)C)cc1 61903234 SMQAFFUXAURDPI-JOCHJYFZSA-N 358.526 3.680 0 3 FHAF c1ccc(-n2cnc3cc(OCCCCN4CCOCC4)ccc32)cc1 21290075 MMCPIFMHHYLZBY-UHFFFAOYSA-N 351.450 3.517 0 1 FHAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCCN(C)C)[C@@H](O)C[C@H]1O 2356683448 VNLQPSLXSAMMMJ-KNOXWWKRSA-N 367.574 3.520 0 1 FHAF C=CC(=O)Nc1nc2c(Cc3ccc(F)c(Cl)c3)ncnc2cc1OC 45505948 HAPCXWXXDHZDQW-UHFFFAOYSA-N 372.787 3.541 0 1 FHAF c1cc2c(cc1[C@H]1OC[C@@H]3[C@H](c4ccc5c(c4)COC5)OC[C@H]13)COC2 137304103 XCVUGMGVUGLJDA-MYGLTJDJSA-N 350.414 3.822 0 1 FHAF COc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1 96939141 ABUZOTKQQBPGAC-UHFFFAOYSA-N 356.769 3.578 0 1 FHAF COc1ccc(Cn2ncc3c(C(=O)O)cc(Nc4ccccc4)nc32)cc1 95583173 UMOGEJKNULAFLY-UHFFFAOYSA-N 374.400 3.930 0 1 FHAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(Cl)cnc1Cl 261179230 VQDYZUZQZPBAEE-ZDUSSCGKSA-N 353.205 3.643 0 1 FHAF COC(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cc3nc[nH]c23)c1 621477704 IATOYGLRGJUKJK-UHFFFAOYSA-N 363.295 3.621 0 1 FHAF O=S(=O)(Nc1nccnc1Nc1ccc(Cl)cc1)c1ccccc1 299821741 LUPDHGIZBWPVIW-UHFFFAOYSA-N 360.826 3.674 0 1 FHAF O=C(O)CCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1 473110116 UZZZJUNMAGSTIR-UHFFFAOYSA-N 370.357 3.505 0 1 FHAF Cc1cccc(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)c1 653830221 OPPGUPWJAAENJV-UHFFFAOYSA-N 366.446 3.687 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(OC)ccc2C[C@@H]1N=O 587469260 MDXRGLMEIZGGKS-FPOVZHCZSA-N 367.401 3.905 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccoc1C 587868144 VOHIELANLQLZFW-UHFFFAOYSA-N 351.284 3.562 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@H]1Cn1cncn1)CC2=O 587474215 CXYOAYMIOJCQTJ-BTYIYWSLSA-N 369.465 3.921 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587235055 DWANRBDYJNYITL-IOASZLSFSA-N 373.457 3.838 0 1 FHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)n1 587081011 ZLACZDYPNGSXHI-CYBMUJFWSA-N 373.888 3.883 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c(C)c(CC(=O)O)c1C)CC2=O 587479704 AFLXVOLAXGORHC-KRWDZBQOSA-N 357.406 3.623 0 1 FHAF COC(=O)[C@H]1CC(=O)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587099258 XMXMLSKILZIYIX-INIZCTEOSA-N 371.392 3.527 0 1 FHAF Cn1c(Br)cnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498639 PAEWPPIIQRSPMR-AWEZNQCLSA-N 361.239 3.768 0 1 FHAF CCOC(=O)[C@H](CC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595925 LZQXDXNYAIUPMU-AVBTWRTFSA-N 370.401 3.702 0 1 FHAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(=N)[nH]cc3[nH]2)c1 587195160 CBDJZSOGHDKHEE-UHFFFAOYSA-N 353.426 3.717 0 1 FHAF CCCC[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599137 WAYMDPIZTFKJBA-DYESRHJHSA-N 370.401 3.846 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(c3ccccn3)CC1)CC2=O 587474567 ILBKWAKDPHSHGW-UHFFFAOYSA-N 352.434 3.744 0 1 FHAF COc1ccc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2c1 586965526 KRVUQULDISTGIV-UHFFFAOYSA-N 365.462 3.968 0 1 FHAF CC(=O)Nn1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587512845 OYBPBTYYBAZQBX-HXUWFJFHSA-N 352.434 3.780 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(F)cc1)CC2=O 587467302 QMZSONHDBXTPHS-NRFANRHFSA-N 372.392 3.908 0 1 FHAF CC(C)COC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592390 GWJBSOYVNOAOPA-WIYYLYMNSA-N 370.401 3.702 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1cnccc12 587589214 WIFKCPCRXZKQBF-UGKGYDQZSA-N 359.381 3.981 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cccc1F 587559382 WPVWBYFNINBSTA-YLJYHZDGSA-N 352.317 3.940 0 1 FHAF COc1ccc(CCCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c(OC)c1 587929118 QYIJPDRHFRKEMK-UHFFFAOYSA-N 366.343 3.516 0 1 FHAF COc1cc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1Cl 587205502 BHFRNODQKZIKEK-OAHLLOKOSA-N 357.841 3.953 0 1 FHAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cl)c1ccccc12 587499761 MTPJZOMSGHWIDS-HXUWFJFHSA-N 353.805 3.927 0 1 FHAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cccnc2[nH]1 587167689 QLOIRWWPZGMNKM-UHFFFAOYSA-N 374.422 3.626 0 1 FHAF COc1ccc(OC)c2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 587653588 JRYOKPBZZMSXGA-UHFFFAOYSA-N 373.821 3.666 0 1 FHAF CCCC(=O)c1c2c(c3oc(=O)cc(CCC)c3c1O)C[C@H](C(C)(C)O)O2 13461270 AHRWRZGWPYCGMI-CQSZACIVSA-N 374.433 3.508 0 1 FHAF endogenous,in-man CCCOc1ccc2c(c1)c1c(COC)c(C(=O)OCC)ncc1n2C 13780127 FDUYIOSVUSYEQJ-UHFFFAOYSA-N 356.422 3.838 0 1 FHAF O=C(NCCc1ccc(Cl)cc1)NCCc1c[nH]c2ccc(O)cc12 14979739 KNUZJTQBARBXMK-UHFFFAOYSA-N 357.841 3.611 0 1 FHAF C=CC(=O)N(CC(=O)NC1CCCCC1)c1nc(-c2ccccc2)cs1 1857545348 WBPYFWVPZZCXQW-UHFFFAOYSA-N 369.490 3.778 0 1 FHAF CN(C)CCCN=c1[nH]c(/C=C/c2ccc(F)c(F)c2)nc2ccccc12 1857614483 YRVAGQCIRUZTBX-PKNBQFBNSA-N 368.431 3.864 0 1 FHAF CC(C)NC(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681842 OHQDRZHZEKGJSZ-BJTMNOAGSA-N 369.505 3.958 0 1 FHAF O=C1[C@H]2CCCC[C@H]2C(=O)N1C1CCC(N2CCc3ccccc3C2)CC1 13802431 HZCOOBOBMWKCRF-ZAYGCWILSA-N 366.505 3.531 0 1 FHAF O[C@@](Cn1ccnc1)(c1ccc(F)cc1)c1cccc(Br)c1 26939293 GXUKZAQOKYZIBB-KRWDZBQOSA-N 361.214 3.721 0 1 FHAF COc1cc(C)ccc1[C@@H]1CC(c2c(O)cc(C)oc2=O)=NCCS1 28899033 VOAKIOKJEQCIIT-KRWDZBQOSA-N 359.447 3.638 0 1 FHAF CC(C)C[C@H](NC(=O)c1conc1-c1ccc(C(C)(C)C)cc1)C(=O)O 45231067 OGFXBUXJFBCHMH-INIZCTEOSA-N 358.438 3.868 0 1 FHAF COCC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49067028 BXSCSPIJBGRDND-MRXNPFEDSA-N 358.221 3.754 0 1 FHAF CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1C[C@H]1CCCO1 82185971 UIWCLJVQHKWHGO-MRXNPFEDSA-N 369.444 3.709 0 1 FHAF Nc1nccc(-n2cc(-c3cccnc3Cl)c3cnc(Cl)cc32)n1 95605223 UNLYRICJXHKLFW-UHFFFAOYSA-N 357.204 3.767 0 1 FHAF COC(=O)COc1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 116911226 BFROUFDSZGLRCL-MRXNPFEDSA-N 372.726 3.670 0 1 FHAF CCCCCC(=O)O[C@@H]1C[C@@H]2C[C@@H](OC(=O)CCCCC)[C@@H](C1)N2C 195138035 AZSYRDPIBWFYBO-BRSBDYLESA-N 353.503 3.837 0 1 FHAF COc1ccc(S[C@H]2CC(=O)N2C(=O)N[C@@H](C)c2ccccc2)cc1 213674438 UFACELIHZSALPQ-UGSOOPFHSA-N 356.447 3.817 0 1 FHAF COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(OC)cc34)[C@H]1S2 220444493 PHUGLZHLZIFCMV-HXUWFJFHSA-N 366.442 3.988 0 1 FHAF CN1CCC[C@@H]1CCNC(=O)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@H]21 253638088 NZYFTXGDQKJVTP-IIDMSEBBSA-N 362.901 3.973 0 1 FHAF COc1c(F)cc(-c2nc3cc(Br)c(C)nc3[nH]2)cc1F 587134737 LZFJWFFWSZCZJC-UHFFFAOYSA-N 354.154 3.983 0 1 FHAF O=C(/C=C/c1nc2ccc(Br)c(O)c2[nH]1)Nc1ccccc1 587245294 VHSARIHRCJBNBS-CMDGGOBGSA-N 358.195 3.683 0 1 FHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cn1 587247880 WHVFTXIFQAZXOS-UHFFFAOYSA-N 374.347 3.931 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(F)cc1F)O2 587384651 HBDXCJOFWJBISH-IBGZPJMESA-N 360.360 3.608 0 1 FHAF O=C1C[C@@H](c2cn(Cc3ccccc3)nn2)Oc2c1ccc1c2CCCC1 587517499 OKFDNTMHBIEWPX-NRFANRHFSA-N 359.429 3.912 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc(Cl)n1 587552116 NNSXFYYIJCHKEE-YJBOKZPZSA-N 354.749 3.539 0 1 FHAF Oc1nc(O)c2cc3c(nc2n1)-c1cc2c(cc1CC3)CCc1ccccc1-2 587562365 YELJXMGEHWOIJV-UHFFFAOYSA-N 367.408 3.967 0 1 FHAF Cc1ccc(-c2cc(O)n(-c3nc(N4CCCCC4)ncc3F)c2O)cc1 587946606 WRFBVYRGCYDFGY-UHFFFAOYSA-N 368.412 3.783 0 1 FHAF O=C(O)/C=C/C=C/c1nc2c(Br)ccc(Br)c2[nH]1 587965300 JLMBSAZIXOOSBC-ZPUQHVIOSA-N 372.016 3.742 0 1 FHAF CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cccc(Br)c1 617959058 UWLHXRQFKQSCMI-OWRWYXLESA-N 355.257 3.645 0 1 FHAF COc1cc2c(cc1OC)[C@]1(CC[C@@H](O)c3ccccc31)N(C)[C@H](C)C2 962629821 QANDLFSUWWPPEM-JSVDNDDVSA-N 353.462 3.651 0 1 FHAF Oc1ccc(C2=C[C@]3(NCCc4ccc(O)cc43)c3ccccc3O2)c(O)c1 963340420 GULRKFJLLDIYBS-QHCPKHFHSA-N 373.408 3.626 0 1 FHAF C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnn(C)c3)nc21 1772647253 SXWUXXWVCWEUTA-LBPRGKRZSA-N 373.395 3.523 0 1 FHAF CC(=O)c1cc2c(Br)cc(Br)c(O)c2nc1C 1857651711 PQDBOJRDMTWDSY-UHFFFAOYSA-N 359.017 3.976 0 1 FHAF c1ccc2ncc(CN3CCOC[C@@H]3c3ncc(-c4ccncc4)[nH]3)cc2c1 2356478247 WUDDRJMHFRMHPY-OAQYLSRUSA-N 371.444 3.593 0 1 FHAF COc1ccc2c(c1)cc(C(=O)N(C)C[C@@H]1CCCN3CCCC[C@@H]13)n2C 2356488296 HUJWQADYHQDGFP-JXFKEZNVSA-N 369.509 3.523 0 1 FHAF COc1ccc2c(c1)N=CN1CCc3c([nH]c4ccccc34)C3=NCC[C@]321 2356681921 AOBQIVNHKSDJGP-JOCHJYFZSA-N 356.429 3.796 0 1 FHAF O=C(NC1CCCCC1)[C@@H]1CC=C[C@@H]2CCN(Cc3ccccc3)C(=O)[C@@H]21 12479001 QAPBCJKSNSMKNS-NRSPTQNISA-N 366.505 3.676 0 3 FHAF CCN(CCn1cccn1)Cc1nc(-c2ccc(F)c(OC)c2)oc1C 12577323 NLVHKPCDJBLIFU-UHFFFAOYSA-N 358.417 3.516 0 3 FHAF CC(=O)c1ccccc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1 12578179 BWAUSGXSTIMYGA-SFHVURJKSA-N 368.452 3.765 0 3 FHAF CN(C)CCNC(=O)c1ccc(Cl)c2ccc(-c3ccccc3)nc12 1613463 CUMFBIWDJVDJCJ-UHFFFAOYSA-N 353.853 3.847 0 1 FHAF O=C(NC[C@H](c1ccccc1)n1ccnc1)c1ccc(Br)cc1 53294418 XZHBGIXXJLSHPH-QGZVFWFLSA-N 370.250 3.665 0 1 FHAF O=S1N=C(NCc2ccccc2)C(Nc2cc(Cl)cc(Cl)c2)=N1 26268114 OOOGERLXVFQOBE-UHFFFAOYSA-N 367.261 3.584 0 1 FHAF Cc1nc2cc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)ccc2s1 20780122 IGZFEXROWVIPHW-UHFFFAOYSA-N 363.446 3.671 0 1 FHAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@]3(C)CC[C@H]4C[C@@]3(CC[C@@]12C)C[C@@]4(O)CO 2356441683 BADRGIKXWOSHML-MULNRMHFSA-N 364.526 3.988 0 1 FHAF CC(C)[C@@]12C=C[C@@](C)(O)CC(=O)C[C@H](C)CC[C@@H](OC=O)[C@@](C)(CC1)O2 2356474271 KXWFDYNNCDYRQV-GHRYLNIYSA-N 366.498 3.578 0 1 FHAF COc1cc(/C=C/c2nc(N)c3ccccc3n2)ccc1-n1cnc(C)c1 66251337 LYVHIHRHZCSMFT-CSKARUKUSA-N 357.417 3.885 0 1 FHAF O=C(Cc1cccc(O)c1)NC[C@H](Cc1ccc(O)cc1)c1ccccc1 45302908 WRQXWOHFBXAFQO-FQEVSTJZSA-N 361.441 3.783 0 1 FHAF COc1ccc(-c2cc(NCc3ccc(F)cc3)ncn2)c(OC)c1OC 82160262 WUJQBLHFNRZFOC-UHFFFAOYSA-N 369.396 3.921 0 1 FHAF Cc1nc(-c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)sc1C 82164517 AUQMVWOCOPHBOD-UHFFFAOYSA-N 370.453 3.860 0 1 FHAF C/C=C1\[C@@H]2C[C@H]3c4c(c5cc(O)ccc5n4[C@@H](C2)O[C@H]1OC)CCN3C 40874165 GNHJRZWCDXRDDL-XWXSJHKHSA-N 354.450 3.734 0 1 FHAF O=C(NCC1CCCCC1)c1cnc(N2CCCC2)nc1-c1ccco1 82141948 BLEIACIAJUYCEW-UHFFFAOYSA-N 354.454 3.647 0 1 FHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC(C)C)cn1 141234455 ZECHOCFAIQZSIQ-UHFFFAOYSA-N 351.406 3.762 0 1 FHAF NC(=O)O[C@H](CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1 95579550 WMEZJLVASNMERI-LJQANCHMSA-N 373.884 3.689 0 1 FHAF CN(C(=O)c1ccc(C(F)(F)F)c(OC[C@H]2CCCO2)n1)C(C)(C)C 146389169 OTUHUXGJAQHLLR-LLVKDONJSA-N 360.376 3.529 0 1 FHAF Fc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 96169010 ZTIYYCFPRHOBAD-UHFFFAOYSA-N 357.429 3.558 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=NCCO5)CC[C@H]4[C@@H]3CC[C@H]12 299820341 MCQUWTXHJRSZGA-DCIWYKSFSA-N 358.526 3.895 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C=O)o4)o1)[C@@H](C2)C3=O 587455961 RKYMCWQXBGBIJG-RNODOKPDSA-N 350.326 3.849 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(O)c(OC)c(OC)c1)CC2=O 587477838 JSHXQHVRXRRNHU-NRFANRHFSA-N 372.417 3.948 0 1 FHAF Cc1csc([C@@](O)(Cc2nc3ccc(F)c(C)c3[nH]2)C(F)(F)F)n1 587093795 GXFVCNLHFVXZID-AWEZNQCLSA-N 359.348 3.768 0 1 FHAF C[C@]1(c2ccc(=N)[nH]c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333776 IDPQKADEOKSTEM-TZIWHRDSSA-N 364.376 3.613 0 1 FHAF C[C@]1(c2ccc(NC(N)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514939 YKXYXVNVCUQVOR-OAQYLSRUSA-N 350.418 3.937 0 1 FHAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587952021 WGVFZQVVAJKHCG-UHFFFAOYSA-N 356.447 3.955 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(O)cc(Br)c1)[C@@H](C2)C3=O 587417869 MYGFYBCMQCEPPZ-SUMWQHHRSA-N 361.191 3.652 0 1 FHAF Brc1ccc([C@@H](c2nc3cccnc3[nH]2)N2CCCC2)cc1 586983933 DIJNRVWXLJVPJB-HNNXBMFYSA-N 357.255 3.906 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Cc3ccccc32)[C@H]1c1ccc(F)cc1 587355853 XCMDTDVVLIMSCC-JTHBVZDNSA-N 374.367 3.911 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(-c2ccccn2)o1 963612570 SKWOWQSKZZZQOF-LRTDBIEQSA-N 350.418 3.982 0 1 FHAF CC(C)c1nn(C)c2c1[C@](C)(C13C[C@H]4C[C@@H](CC(C(=O)O)(C4)C1)C3)NCC2 962924238 WPPDNMOQOSDPNP-CGNDKLGZSA-N 371.525 3.576 0 1 FHAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@]1(F)COc2ncccc21 1772593859 NTLMQVKUQKGLEP-OAHLLOKOSA-N 374.721 3.627 0 1 FHAF CC(=O)Nc1ccc(-c2cc(C)c(=O)n(Cc3ccc(Cl)cc3)n2)cc1 1772616897 OPXRLHFOBWUVDX-UHFFFAOYSA-N 367.836 3.879 0 1 FHAF N[C@H](COc1cncc(Nc2cccnc2)c1)Cc1c[nH]c2ccccc12 14957429 JJGWIBAOEPVJHA-INIZCTEOSA-N 359.433 3.650 0 1 FHAF COc1ccc2[nH]c(Cn3ccc4ccccc43)c(CCNC(C)=O)c2c1 169323493 KOWIZMBMXRQPDU-UHFFFAOYSA-N 361.445 3.858 0 1 FHAF CN1CCN(c2ccc(Nc3n[nH]c4c3-c3ccccc3CC4)cc2)CC1 1857548030 IGAKQNIIBBVQTF-UHFFFAOYSA-N 359.477 3.671 0 1 FHAF COc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@@H]1CC2 117448993 JOMXVEJVUKFCMM-DYESRHJHSA-N 361.445 3.906 0 1 FHAF Cc1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(C)nc32)c1 28951889 XLCPROQNAKTQDD-UHFFFAOYSA-N 350.809 3.842 0 1 FHAF CNC(=O)c1oc2c(c1C)-c1nn(Cc3ccc(Cl)cc3)cc1CC2 20490099 AGURZVXWWHBIOI-UHFFFAOYSA-N 355.825 3.611 0 1 FHAF COc1c(Cl)ccc2ncc(Oc3ccc(O[C@@H](C)C(=O)O)cc3)nc12 29475014 URLWMQRMXHBGHM-JTQLQIEISA-N 374.780 3.936 0 1 FHAF CC(C)=CC[C@H](O)[C@H](C)CCCC(C)=CCC[C@H](C)C[C@H](O)[C@H](N)CO 2356682927 ASNURABVVXFZSH-MNVIUDHYSA-N 369.590 3.943 0 1 FHAF Cc1cc(C(=N)N)cn2cc(-c3cccc(-c4ccc(C(=N)N)cc4)c3)nc12 27191881 QWEUWPVGJHUPTI-UHFFFAOYSA-N 368.444 3.545 0 1 FHAF CC1=C[C@H](CNC(=O)COc2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)O 2356855117 QZLKZEZPUNHQFN-YQVWRLOYSA-N 359.466 3.511 0 1 FHAF CCCOc1ccc(F)cc1-c1cc(C(=O)Nc2ccc(OC)nc2)[nH]n1 61903906 CUOLSDJNFGPRSA-UHFFFAOYSA-N 370.384 3.661 0 3 FHAF COc1cccc([C@@H](O)C2CCN(Cc3ccc(F)cc3)CC2)c1OC 45498484 ACARRFRVNJRYJL-FQEVSTJZSA-N 359.441 3.789 0 1 FHAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3)n2)C1 82133072 NDEMZDBCZOQDSX-IAGOWNOFSA-N 364.493 3.862 0 1 FHAF N[C@H]1CC[C@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)CC1 254094717 ZDXQLMBSNKHXCJ-HAQNSBGRSA-N 374.851 3.947 0 1 FHAF COc1ccccc1[C@H]1c2c(n[nH]c2C)Oc2nc3c(c(N)c21)CCCC3 299826977 NACZNKYLFXJQST-KRWDZBQOSA-N 362.433 3.869 0 1 FHAF Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@H](C)c4ccncc4)cc23)ccn1 653852889 BLNCMEUSLQBALM-CQSZACIVSA-N 357.417 3.819 0 1 FHAF C[C@@]1(c2cn3ccccc3n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584656 ABFCOXIWJHCFSO-KNQAVFIVSA-N 372.380 3.917 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ncccc1Br)[C@@H](C2)C3=O 587413368 NDTJCMIEKHIDPW-APPDUMDISA-N 360.207 3.516 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(SC(=O)N(C)C)c1)[C@@H](C2)C3=O 587453938 VIUYVWAGSZNCDA-HNAYVOBHSA-N 369.442 3.958 0 1 FHAF O=C1C[C@H](CCCNC(=O)C2CCCC2)Oc2c1ccc1c2CCCC1 587513397 SFTFAYOHFCFOEJ-KRWDZBQOSA-N 355.478 3.986 0 1 FHAF CC(=O)OC1=C(C)[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587807932 FOTLRMQGYAJJBE-XLFHBGCDSA-N 368.246 3.949 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C(=O)O)N1 587825104 FQVLSNOQKQATFZ-ABKXIKBNSA-N 364.214 3.910 0 1 FHAF Cc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587776079 WCVPSRGQBSFCDM-VPTHRUTESA-N 353.235 3.991 0 1 FHAF COC(=O)Cc1[nH]c2cc(F)ccc2c1NC(=O)OCc1ccccc1 587635087 GTYUZDBKPBDMGT-UHFFFAOYSA-N 356.353 3.771 0 1 FHAF COc1ccc(C=O)c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)c1OC 587787185 RANQWDXXJSGMEF-UHFFFAOYSA-N 366.295 3.958 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1cnn(C)c1C)(C(F)F)CC2=O 587468919 ZHBAXOMBDOXSLO-SFHVURJKSA-N 350.365 3.512 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cccnc32)N1 587779193 QUMOEIDWZGCFDS-BMLIUANNSA-N 363.230 3.544 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnc(CC(F)(F)F)s1)[C@@H](C2)C3=O 587419678 HSYYUMQYDKTTQS-BJOHPYRUSA-N 355.337 3.745 0 1 FHAF Clc1c[nH]c2nc(-c3nc(Br)sc3C3CC3)nc-2n1 587012156 GYOFCWNVLVYAPB-UHFFFAOYSA-N 356.636 3.721 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC2OCCO2)N1 587830758 FQBOEZGKJHCMMG-MFKMUULPSA-N 358.251 3.707 0 1 FHAF COc1cc2c3c(c1)O[C@H]([C@H](C)c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587442133 KCYINSMDSWNFBP-VNBSIWGGSA-N 354.402 3.632 0 1 FHAF CCCCOc1cc2nc(CCC(=O)NCC)[nH]c2cc1Br 587231315 VGGVVKMBVVDREF-UHFFFAOYSA-N 368.275 3.573 0 1 FHAF Cc1nc(F)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568623 HZCIKQYRBZQVCV-FXAWDEMLSA-N 351.333 3.938 0 1 FHAF N=c1ncc(-c2cccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)c[nH]1 587254094 GFKITAYIGOHRPK-UHFFFAOYSA-N 356.311 3.513 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccc(Cl)cc4)no1)[C@@H](C2)C3=O 587423547 VKONSVNQWHZBRQ-SUMWQHHRSA-N 368.776 3.887 0 1 FHAF COc1cc2c(cc1OC)[C@]1(CCc3cccc(OC)c31)N(C)[C@H](C)C2 962622174 JKIHASYWFDOXTR-PEBXRYMYSA-N 353.462 3.779 0 1 FHAF C[C@@H]1CN(C)C[C@@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963816511 CUVVXVCXENNQCJ-WAIKUNEKSA-N 361.489 3.669 0 1 FHAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2n1CCCO 1772634832 ZTXNPYTZCBSSPL-UHFFFAOYSA-N 352.478 3.722 0 1 FHAF CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@H]1c1ccc(F)cc1 18169403 MUZHLTCCOYNOQH-IEMQHYRPSA-N 361.398 3.697 0 1 FHAF O=C1N(c2ccc(F)cc2)CCc2nc(COc3cccc(F)c3)cn21 203688234 XMDRLLZECSTZJY-UHFFFAOYSA-N 355.344 3.771 0 1 FHAF Cc1ccc(NC(=O)c2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1F 1857640693 YSLYCKPTUCUCPP-ZDUSSCGKSA-N 367.424 3.720 0 1 FHAF C=C1CC[C@@H]2CC[C@H](OC(=O)CC(C)=C[C@@H](OC(C)=O)C1)C(=O)C2(C)C 253638921 BNJSOSQFSVHRRK-SQNIBIBYSA-N 362.466 3.912 0 1 FHAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC 775786 HELZSVKQMOLPAF-HIFRSBDPSA-N 374.481 3.785 0 1 FHAF O=c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn1CCO 1607841 LTAWEOYIDOVOLQ-UHFFFAOYSA-N 361.228 3.876 0 1 FHAF CN(CCc1ccccn1)C(=O)c1cc2c(=O)oc3ccccc3c2s1 3906365 YSYQYRCNOGURQW-UHFFFAOYSA-N 364.426 3.717 0 1 FHAF CNc1ccc(-c2cc3cc(OCCOCCOCC[18F])ccc3o2)cn1 102828825 CAJRCNSEYLVKQJ-GJQNQZCXSA-N 373.415 3.918 0 1 FHAF C#Cc1csc2c(N[C@H](C)c3ccccc3)nc(NC[C@H](C)O)nc12 68267245 NQVQUVKUAZKGPY-QWHCGFSZSA-N 352.463 3.638 0 1 FHAF CCN(CC)CCC[C@@H](C)Nc1ccnc(COc2cccc(OC)c2)n1 28523580 GOQPLPSWRYTXRJ-QGZVFWFLSA-N 372.513 3.987 0 1 FHAF CC(=CCCc1ccoc1)C[C@H](O)C[C@@H](C)CCCC1=CC(=O)O[C@H]1O 2356618643 BUUWGAHLHPTCTL-NBHGPNQESA-N 362.466 3.908 0 1 FHAF COc1cc2cc(c1OC)-c1cc(ccc1O)C(=O)C[C@H](O)CCCC2 14686745 HBPMCGRQMGSKIQ-OAHLLOKOSA-N 356.418 3.737 0 1 FHAF biogenic CCC[C@@H](C)Nc1nc(C)cc(NCCC(=O)Nc2ccc(OC)cc2)n1 45201441 ARDJGMNILSFSGP-CQSZACIVSA-N 371.485 3.835 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C\C[C@@H]21 40465041 ZTMJVNGXHMSKDT-YDBZZPILSA-N 350.499 3.913 0 1 FHAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CNC(C)(C)CO3)cc12 226039265 VUCYVFOSXMLKPR-SFHVURJKSA-N 355.413 3.817 0 1 FHAF Fc1cccc(-c2nc(Cc3ccccc3)no2)c1OC1CCNCC1 225200870 NVOVHLUUKUMPPT-UHFFFAOYSA-N 353.397 3.597 0 1 FHAF NC(=O)O[C@H](CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 95573789 BAVFRUKRIHEOSL-LJQANCHMSA-N 373.884 3.689 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C1)CC2=O 587474485 FMZMSTRPMDMGNC-HXUWFJFHSA-N 361.438 3.690 0 1 FHAF CCS(=O)(=O)c1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1 586898197 MUTAIIDNOJECSZ-UHFFFAOYSA-N 356.447 3.608 0 1 FHAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586962616 SXJWATWQNKFNMX-RXMQYKEDSA-N 356.238 3.801 0 1 FHAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587953764 RCTPQZYGOIBIHS-LBPRGKRZSA-N 367.430 3.504 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CCC1)([C@@H](C)NC(=O)OC(C)(C)C)O2 587392104 WRSXOBPESYMCAY-ASSNKEHSSA-N 374.481 3.995 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(O)c(Br)c1)O2 587381592 KASJPOFWOSAYEO-CQSZACIVSA-N 366.186 3.891 0 1 FHAF CCC(C)(C)c1ccc(OCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587565828 VCWIUKGBNBEPTK-UHFFFAOYSA-N 362.437 3.805 0 1 FHAF N=c1[nH]c2nc(Cc3ccccc3Oc3ccccc3)nc-2c(Cl)[nH]1 587948790 IPXCKRQRPZLLSN-UHFFFAOYSA-N 351.797 3.754 0 1 FHAF Cc1ccccc1C[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974654 KXXHUEZEMBYXCX-BEFAXECRSA-N 365.807 3.983 0 1 FHAF O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1 5831601 VYYHECSZIFMLKM-RJKSWSIASA-N 363.438 3.684 0 1 FHAF CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc3ccccc23)c1 5835968 JHWDJVFPABOYEB-UHFFFAOYSA-N 373.460 3.604 0 1 FHAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cc(Cl)cc(Cl)c1 5885961 DXVXCTFPWKSIPA-UHFFFAOYSA-N 353.249 3.850 0 1 FHAF COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1OC 15070685 NSYRCTMMDPVBCP-MRXNPFEDSA-N 371.408 3.578 0 3 FHAF CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)[C@H]2C(=O)CC(C)(C)CC2=N1 169691506 QSAMTTNJIUOMCS-RBUKOAKNSA-N 354.450 3.851 0 1 FHAF O=C(C[C@@H]1c2ccccc2-c2cncn21)NCc1ccc(F)c(Cl)c1 1857644363 NFHDKUVLSXRHAR-QGZVFWFLSA-N 355.800 3.952 0 1 FHAF O=C(/C=C/c1cccc([N+](=O)[O-])c1)CC(=O)/C=C/c1cccc([N+](=O)[O-])c1 38231020 XEWVSCMJGXDUPU-FIFLTTCUSA-N 366.329 3.758 0 1 FHAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773596 RJGKEBWDPSFIAY-LRDDRELGSA-N 372.396 3.878 0 1 FHAF COCCN(C(=O)Nc1ccccc1OC)c1nc2ccccc2s1 4968544 JXGIBZHZGDLFBB-UHFFFAOYSA-N 357.435 3.990 0 3 FHAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CN(C)C)C=C3C)[nH]c2n1 2356287107 ZZEVGBPUUUTQJS-GVDBMIGSSA-N 356.514 3.925 0 1 FHAF O=C(Nc1n[nH]c2ncc(Br)cc12)c1ccccc1Cl 53312932 SDFOSGXNIAGQLT-UHFFFAOYSA-N 351.591 3.626 0 1 FHAF CO/N=c1\nc(N)[nH]c2ccc(Sc3cccc(C(F)(F)F)c3)cc12 26264730 QAFUNFLZRUNAOE-UHFFFAOYSA-N 366.368 3.777 0 1 FHAF Fc1ccc2[nH]cc(CCN[C@@H]3COc4ccc5ncccc5c4C3)c2c1 28821552 RWPZZHXGPZAEAQ-INIZCTEOSA-N 361.420 3.991 0 1 FHAF CC(=CCCc1ccoc1)C[C@H](O)C[C@H](C)CCCC1=CC(=O)O[C@H]1O 2356618641 BUUWGAHLHPTCTL-LKUPVBHCSA-N 362.466 3.908 0 1 FHAF CNC(=O)/C=C1/c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 40834365 FDHFOTNTZGJRMO-JWGURIENSA-N 362.473 3.709 0 1 FHAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)C(F)(F)F 220636067 VMUSKNFYMVIPRG-CMPLNLGQSA-N 352.316 3.537 0 1 FHAF C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C(=O)C(=O)N1c1ccccc1 95566113 ZVCZABPNHDBZBT-GFCCVEGCSA-N 363.244 3.757 0 1 FHAF O=C(CSc1nncnc1-c1ccccc1Cl)Nc1ccccc1 95558208 NYIQJCGZAZQHRS-UHFFFAOYSA-N 356.838 3.923 0 1 FHAF Cc1c(F)cc(-c2nc3cc(I)cnc3[nH]2)cc1F 587133469 XSDQGQHPNDBPEC-UHFFFAOYSA-N 371.128 3.816 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nn3c4ccccc4n(C)c13)O2 587395111 OSLODWYBONJJFN-QFIPXVFZSA-N 374.444 3.906 0 1 FHAF C[C@@H]1CN(C2CC2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350468 ZJKJUGDWGCWFDC-YIKPVDIZSA-N 367.420 3.743 0 1 FHAF COC(=O)C[C@@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586990190 ASBNXSUDMRVYAO-NSHDSACASA-N 359.381 3.745 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4ccc(F)cc4)c1)[C@@H](C2)C3=O 587427576 IVMZCUNRFBEYBM-LAUBAEHRSA-N 364.376 3.683 0 1 FHAF CCOC(=O)/C=C(\C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800717 YLGJPXJDQFVNOC-GGDSUPLFSA-N 370.262 3.847 0 1 FHAF Cc1ccn(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587766728 WVCOVULUQONKLI-BZNIZROVSA-N 352.251 3.543 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 586937529 GBKBXKDPMDWSDQ-JTQLQIEISA-N 365.405 3.585 0 1 FHAF CCOC(=O)[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800469 XOWHMGQREAZKJR-DIFFPNOSSA-N 372.278 3.927 0 1 FHAF CCc1ccccc1NC(=O)c1nc2c(Br)ncc(F)c2[nH]1 587241339 UKNQZSOZQQLBCZ-UHFFFAOYSA-N 363.190 3.674 0 1 FHAF CC(=O)c1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnn1C 586987903 UXVGOMWKFSHEPY-UHFFFAOYSA-N 369.380 3.755 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc(Br)ccc31)O2 587371562 KTOONDFGHYJDKU-GOSISDBHSA-N 374.234 3.983 0 1 FHAF CC(C)[C@@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574534 XGEJCYAMAZTWCW-MBQNMEIASA-N 353.418 3.824 0 1 FHAF COc1cc2c(cc1OC)[C@@](C)(c1ccc3cn(C)nc3c1)N(C)[C@@H](C)C2 962572642 PYDHVYRSJNECTR-RCDICMHDSA-N 365.477 3.730 0 1 FHAF CC(=O)c1ccc2cccc([C@@]3(C)NCCc4c3c(C(C)C)nn4C)c2n1 962917867 GXHVGQWAUIOLQS-JOCHJYFZSA-N 362.477 3.704 0 1 FHAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CCC[C@H]2C)c1O 1772601671 PZIWNZKMZJYCNO-ZYHUDNBSSA-N 374.890 3.538 0 1 FHAF CCOc1ccc2nc(N3CCC[C@H](C(=O)NC4CCCC4)C3)sc2c1 5086377 YLMAUIRMOAFAHM-AWEZNQCLSA-N 373.522 3.970 0 3 FHAF CSc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1 13600495 TZPJNVWCBSGPDX-UHFFFAOYSA-N 362.458 3.682 0 1 FHAF C[C@@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCCCC2=O)cc1 13642935 RHIXMWQQSAONBY-CYBMUJFWSA-N 352.438 3.546 0 1 FHAF CNC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169313781 RZFLKYKMLWACOU-OXPSBXFHSA-N 351.277 3.606 0 1 FHAF COc1ncccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C 169703420 QHAWSJSJQQZZFD-UHFFFAOYSA-N 374.448 3.901 0 1 FHAF NC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)ccn1 167477995 JRAWRXCCCZYPLR-UHFFFAOYSA-N 365.290 3.583 0 1 FHAF CCCOc1cccc(CN2CCN(C(=O)Nc3ccccc3)CC2)c1 200261261 BEWFBOJQQKJVLJ-UHFFFAOYSA-N 353.466 3.825 0 1 FHAF Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c3c(cccc13)C(=O)N2C 1857614993 FSPBCFLZJORGGD-UHFFFAOYSA-N 370.405 3.678 0 1 FHAF CCC(C)(C)c1ccc(OCCCN2CCN(c3cnccn3)CC2)cc1 1857633405 IOXUFGDFRGORBO-UHFFFAOYSA-N 368.525 3.755 0 1 FHAF O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773431 QAYRQZDZKUIUID-HOTGVXAUSA-N 370.380 3.774 0 1 FHAF COc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 1541429 KTVVIQKGFNOEAM-UHFFFAOYSA-N 374.392 3.595 0 1 FHAF COC(=O)N(/C=C/c1ccc(OC)cc1)CCc1ccc(OC)c(OC)c1 7992209 LJTPLAGSUAQXJO-ACCUITESSA-N 371.433 3.994 0 1 FHAF CCCCCCOc1ccc(OCC(=O)CSCCC(=O)O)cc1 13472817 QBWVDCUWYFPTCE-UHFFFAOYSA-N 354.468 3.802 0 1 FHAF COC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O 13473205 HVJGMCGDOFRWHL-UHFFFAOYSA-N 362.429 3.572 0 1 FHAF O=C1O[C@H](Cn2cc[n+]3ccccc23)CC1(c1ccccc1)c1ccccc1 13651189 DMEZMQFKTRTUQC-NRFANRHFSA-N 369.444 3.529 0 1 FHAF Fc1ccc([C@@H]2C[C@H]3CC[C@H](N3)[C@@H]2COc2ccc3c(c2)OCO3)cc1 13776981 HAHQKXHPHSTOFJ-LULLPPNCSA-N 355.409 3.858 0 1 FHAF O=C(OCCN1CCCCCC1)[C@@](O)(c1ccsc1)C1CCCCC1 13864154 GYEBDAYJLRHFBT-FQEVSTJZSA-N 365.539 3.935 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 14654122 PTVDSZPMJVQUCE-FORDTQEKSA-N 362.510 3.892 0 1 FHAF CCN(CC)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1 26475421 VHYKWOGPTMMKDS-ZPAWYTMASA-N 368.521 3.818 0 1 FHAF Cc1ccccc1OC[C@@H](O)CNC(C)(C)Cc1c[nH]c2ccccc12 26741380 LBQVRBUQVRRHIB-SFHVURJKSA-N 352.478 3.827 0 1 FHAF Cc1cc(OCc2ccccc2)cc(C)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 29406065 ZDJABRMTSSZJFJ-TYFAACHXSA-N 352.430 3.962 0 1 FHAF COCCn1c(-c2ccoc2)nc2c(NC3CCCCCC3)ncnc21 82190038 JOPAZNRGQRIEQR-UHFFFAOYSA-N 355.442 3.867 0 1 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@@H](C2)[C@H]1[C@H](C)CC(=O)C3 101799737 VDSHRIABCYXDCJ-MJXTXFFVSA-N 353.506 3.979 0 1 FHAF O=C(NC[C@H]1CCCC[C@H]1O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 164763799 QHMPZGVDGYHAHX-DNVCBOLYSA-N 367.424 3.650 0 1 FHAF CCOC(=O)C1=C(c2cccc(F)c2)N=C(C)[C@@H](C(=O)OCC)[C@H]1CC 169721221 HGIDWFZGXBJNNB-HZPDHXFCSA-N 361.413 3.780 0 1 FHAF Cc1cccc(OCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)n1 221364281 HIMQQJVULDUFQR-UHFFFAOYSA-N 359.429 3.940 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006629 PEEHKUAQFRLUGU-HNNXBMFYSA-N 370.210 3.969 0 1 FHAF O=C1c2ccc(O)cc2O[C@@](CO)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587358645 WXDJUYHWSUHKMG-IRLDBZIGSA-N 364.372 3.778 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1N1C[C@@H](C)O[C@H](C)C1)O2 587392782 DDCULYZBLNEEOD-VTJXTGGHSA-N 366.461 3.897 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]31)O2 587400440 PLJHGFSXQKCVRE-VWLHBSKXSA-N 372.465 3.558 0 1 FHAF Cc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594137 KMCYPNXTOXKGGS-XMSQKQJNSA-N 373.364 3.510 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)nc2)N1 587755455 OMQLMOGQXQLVFN-BMLIUANNSA-N 364.262 3.673 0 1 FHAF Cc1nc(O)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587770341 IULPRNFPAFSQQN-XLFHBGCDSA-N 365.246 3.795 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1cc(Cl)cn1 587870662 GBEQGJVIPWWACB-LLVKDONJSA-N 362.792 3.839 0 1 FHAF CC[C@]1(Cc2nc3ccc(C(=O)OC)nc3[nH]2)CC(=O)c2ccccc2C1 587961683 SRQPTTXJKFECNI-OAQYLSRUSA-N 363.417 3.513 0 1 FHAF COc1cc(Br)ccc1[C@@H]1NCCc2c1c(C(C)C)nn2C 962916192 JCWMBTRLXUHYHP-KRWDZBQOSA-N 364.287 3.550 0 1 FHAF CCC[C@]1(c2cn(CC(=O)O)c3ccccc23)NCCc2c(C)ccnc21 963064640 BPGMZTSTMNABNB-JOCHJYFZSA-N 363.461 3.619 0 1 FHAF Cc1ccnc2c1CCN[C@]2(c1ccc(C2OCCO2)cc1)C1CCC1 963078128 WZPSBFOYDWYWIZ-QFIPXVFZSA-N 350.462 3.625 0 1 FHAF Cc1cc2c(cc1O)[C@H](c1c(Cl)cc(F)c(C)c1F)N[C@H](C(=O)O)C2 963523522 IHRARNALFSJWAT-SUMWQHHRSA-N 367.779 3.629 0 1 FHAF Cc1cccc(CN(C(=O)c2ccccc2)[C@@H](C(N)=O)c2ccccc2)c1 1772573403 FHZDDGIHSGRRSV-OAQYLSRUSA-N 358.441 3.864 0 1 FHAF Cc1cc(C)n(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)n1 1857556919 UJALXLMTAUZLAF-UHFFFAOYSA-N 374.396 3.993 0 1 FHAF COc1cc2c(cc1OC)-c1nc3ccccc3c(NCCN(C)C)c1C2 1857565780 WQZPUWZJMVFLMT-UHFFFAOYSA-N 363.461 3.797 0 1 FHAF O=S(=O)(c1ccccc1)n1cc(-c2cn3cccnc3n2)c2ccccc21 1857601910 QODYBFGDVWNZBI-UHFFFAOYSA-N 374.425 3.588 0 1 FHAF CC(C)=CCc1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@@H](C(C)(C)O)C2 1857749227 RWWAXPUDHDKOBQ-MRXNPFEDSA-N 362.466 3.910 0 1 FHAF N=c1c2c([nH]c3ccccc13)CC[C@H](C(=O)NCCCc1ccccc1)C2 1857754531 OYHDIURQIIDFSG-KRWDZBQOSA-N 359.473 3.501 0 1 FHAF COC[C@@H]1CCCN1C[C@@H]1C=C(C)[C@H](Cc2nnc(C)o2)C[C@@H]1C(C)C 2356813162 CDWQTSRACBCRAW-LWYYNNOASA-N 361.530 3.886 0 1 FHAF CN(Cc1ccccc1)C(=O)C[C@@]1(C)N=C(c2ccccc2Cl)N(C)O1 74374437 KKRDAPCNPXQLNO-FQEVSTJZSA-N 371.868 3.729 0 3 FHAF Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C 3815368 GQMZTFFTTCUZAW-UHFFFAOYSA-N 364.453 3.811 0 1 FHAF CN(C)C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1COC(=O)N(C)C 26958047 SNFLUSWKZBSPJY-PHZLKFDYSA-N 364.489 3.770 0 1 FHAF C[C@H]1CN(c2ccccc2Sc2ccccc2)[C@@H](C)CN1CC(=O)O 28369352 RNWWELXCECAMRH-HOTGVXAUSA-N 356.491 3.821 0 1 FHAF CCCCC(=O)n1c(-c2ccc(S(=O)(=O)O)cc2)nc2ccccc21 66258825 HPNDNFOSUMHZJQ-UHFFFAOYSA-N 358.419 3.780 0 1 FHAF CCC1=CC[C@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3)[C@H](C(=O)OC)C[C@]42CN(C)C1 2356454519 ONAGOPFNNJDPCW-RFADJWMDSA-N 371.521 3.928 0 1 FHAF O=C1C=C(c2ccc(O)c(Br)c2)C(=Cc2ccc(O)cc2)O1 2356611740 IXURNKCVCIQLGL-UHFFFAOYSA-N 359.175 3.842 0 1 FHAF CCN(CC)C(=O)c1ccc([C@H](NCC(C)(C)N)c2ccccc2)cc1 28761665 IYBYJCAFJVDVFN-HXUWFJFHSA-N 353.510 3.585 0 1 FHAF O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1CN1CCCC1 36188097 MLRQCMOZADYUFC-JCVNQNCUSA-N 368.399 3.685 0 1 FHAF COCCn1c(CC(C)(C)C)nc2c(NCc3ccccc3C)ncnc21 82180546 KRGMQBPDOINZHA-UHFFFAOYSA-N 367.497 3.982 0 1 FHAF Nc1cnc(-c2ccc(C3CCC3)c(OCC3CCNCC3)c2F)cn1 224548715 WRZVSRONVROHRO-UHFFFAOYSA-N 356.445 3.511 0 1 FHAF O=C(c1cnc(NCC2CC2)nc1-c1ccc(F)cc1)N1CCCCC1 82140408 LGZZKFXDQIKRAT-UHFFFAOYSA-N 354.429 3.731 0 1 FHAF Cc1cc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1 142985640 PIOBUVACHPEEEZ-SJORKVTESA-N 358.449 3.745 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cncc2F)nc1 149809561 DQSWFCKIRZAYPZ-UHFFFAOYSA-N 369.297 3.786 0 1 FHAF Cc1cccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)n1 96168965 KBJKCHFTOFLWOH-UHFFFAOYSA-N 353.466 3.727 0 1 FHAF O=C(Nc1ccccc1)c1ccc(C(=O)N2CCc3ccccc3C2)nc1 95586548 FEGRRGTVPDZNIZ-UHFFFAOYSA-N 357.413 3.532 0 1 FHAF CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN3CCOCC3)C=C2C)o1 35442703 RDMGWOFHZCBLQL-FHWLQOOXSA-N 361.530 3.751 0 1 FHAF biogenic COCCCOc1cccc([C@H]2NC(=S)Nc3c2oc2ncccc32)c1 299825332 HVBOOIDXACFGEI-OAHLLOKOSA-N 369.446 3.633 0 1 FHAF c1ccc([C@@H]2CC3(N4CCOCC4)CCNC2[C@H](c2ccccc2)C3)cc1 299853522 MAHVMGJRFORRLW-WOLZVPSQSA-N 362.517 3.781 0 1 FHAF CNc1ncc(-c2ccnc(Nc3ccc(OC)cc3)n2)c(CC2CC2)n1 653747682 KOANZEZVTIXMGP-UHFFFAOYSA-N 362.437 3.680 0 1 FHAF C[C@]1(c2ncccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570358 WHIRWUMIIZCLJY-UZLBHIALSA-N 351.333 3.803 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)ccc1N)[C@@H](C2)C3=O 587417787 MBORQPFYWIABCM-SCLBCKFNSA-N 374.234 3.703 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn3ccnc23)N1 587770564 AMGKUCDMIYHFMY-QFYYESIMSA-N 360.230 3.860 0 1 FHAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(F)c(C)c4[nH]3)cc12 587038021 PDUYVIQTSUTFST-JTQLQIEISA-N 371.441 3.758 0 1 FHAF CCn1nccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587761152 SQQPRUZGUKLIGK-MGPLVRAMSA-N 352.251 3.602 0 1 FHAF COc1c(C)cc(O)n1-c1c(Br)cccc1-c1cnn(C)c1 587935084 MKEMFBNSHBFCFZ-UHFFFAOYSA-N 362.227 3.663 0 1 FHAF C[C@@]1(c2cnc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551105 CZRRTESWRMNYCX-LPHOPBHVSA-N 368.776 3.713 0 1 FHAF COc1cncc(N)c1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 587252703 KAVVDCZONHSFIJ-UHFFFAOYSA-N 358.707 3.768 0 1 FHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CN[C@@H](C(=O)O)C3)c1 587362757 JWTAHMGKOFCRNG-MRXNPFEDSA-N 374.396 3.756 0 1 FHAF CCc1oc2ccccc2c1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586904402 VEHOLAOTGUAWSG-UHFFFAOYSA-N 369.446 3.789 0 1 FHAF Oc1nc(O)c2ccc(-c3oc4ccccc4c3Br)nc2n1 587366993 RTMBGDHGWFPLPY-UHFFFAOYSA-N 358.151 3.612 0 1 FHAF Cc1nn(C)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587753221 AIXSJAKIITZLJN-VPTHRUTESA-N 352.251 3.562 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(C)c(Cl)cc2[nH]1)C(C)C 586933490 STTOMSOMWBROHQ-OAHLLOKOSA-N 357.907 3.941 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1Cn1cncn1)CC2=O 587474941 IMMSGKFXYCINBP-XOBRGWDASA-N 355.438 3.531 0 1 FHAF COC(=O)c1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 587023035 IISKWQSJMNCOFA-UHFFFAOYSA-N 374.422 3.820 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC23CCOCC3)N1 587836370 TVJYBNMEHYIAOC-DIFFPNOSSA-N 354.263 3.908 0 1 FHAF COC(=O)C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350397 KGTVAUMRQJYTJS-CTNGQTDRSA-N 370.376 3.602 0 1 FHAF O=C1C[C@](c2nc[nH]n2)(c2cccs2)Oc2c1ccc1c2CCCC1 587529625 AJDFVOUCQNHQBN-LJQANCHMSA-N 351.431 3.654 0 1 FHAF FC1(F)Oc2cc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3cc2O1 587016005 DTXXETMGXJWFDO-JTQLQIEISA-N 351.334 3.859 0 1 FHAF CC[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342107 LTYYIZXBOUNJSD-PZJWPPBQSA-N 366.392 3.929 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4ccc(OC)cc41)[C@@H](C2)C3=O 587455097 INHBHWZEYKGOIM-AOMKIAJQSA-N 366.413 3.908 0 1 FHAF Fc1ccc(-c2cnn(Cc3nc4ccc(Br)nc4[nH]3)c2)cc1 587164965 GSKFLPGHJSNBCF-UHFFFAOYSA-N 372.201 3.771 0 1 FHAF Cc1nc(O)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587770343 IULPRNFPAFSQQN-XYZCENFISA-N 365.246 3.795 0 1 FHAF C[C@@]1(CCc2c[nH]c3ccccc23)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901774 LHZZDIZPTVOTKU-FPOVZHCZSA-N 352.409 3.754 0 1 FHAF CCCOc1ncccc1[C@@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962639238 VPXFPOVPBXDBQN-AUUYWEPGSA-N 356.466 3.853 0 1 FHAF CNC(=O)c1cc2c(cc1OC)[C@@]1(C)Cc3nc(C)oc3C(C)(C)[C@@H]1CC2 1772613349 UGGCMFDXCKXSPS-PGRDOPGGSA-N 368.477 3.705 0 1 FHAF CCN1CCC(C(=O)NCc2cccnc2Oc2c(C)cccc2C)CC1 12434750 MZPQXRWMJXESIR-UHFFFAOYSA-N 367.493 3.839 0 1 FHAF CC[C@@H]1CN2CCc3c([nH]c4cc(OC)c(OC)cc34)[C@@H]2C[C@@H]1CCO 13459098 CMGYMWAXDJQKLJ-GLJUWKHASA-N 358.482 3.513 0 1 FHAF biogenic CCN(C(=O)N(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682604 LHANPBUTLZHWKW-UHFFFAOYSA-N 358.282 3.507 0 1 FHAF COc1ccc2c(C(=S)N(C)CC(=O)O)c(C)ccc2c1C(F)(F)F 13823540 RVRVVRHBRYUCMH-UHFFFAOYSA-N 371.380 3.868 0 1 FHAF CN(C)CCCN=c1[nH]c(/C=C/c2cccc(F)c2)nc2ccccc12 1857602139 ZCEMYTZQVVQYGV-VAWYXSNFSA-N 350.441 3.725 0 1 FHAF C[C@@H](NC(=O)N1C(=O)C[C@@H]1SCCc1ccccc1)c1ccccc1 6494433 GBRXDJXBNYEGBU-BEFAXECRSA-N 354.475 3.992 0 1 FHAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1)c1noc2c1CCCC2 1911572028 NHZOXLBODXISMQ-QGZVFWFLSA-N 362.433 3.547 0 1 FHAF CCCn1c(-c2ccc(F)cc2)nc2c(N[C@H](C)CN(C)C)nc(C)nc21 7991788 PFONNTWOBHORTG-CYBMUJFWSA-N 370.476 3.713 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2C[C@@H]1c1ccccc12 100654022 CCNUQTMMRGAWTF-LMVHDODDSA-N 364.445 3.814 0 1 FHAF Fc1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5cccnc5)C[C@@H]3N4)cc2)c1 100107151 FLPPTRPPLUKLPE-JKHIJQBDSA-N 359.448 3.828 0 1 FHAF COCCCc1cc2n(c1C(=O)c1ccc(Cl)cc1)CC[C@H]2C(=O)O 27977992 XPSMURFGUBHFAO-OAHLLOKOSA-N 361.825 3.523 0 1 FHAF CC[C@@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)N(C)c1ccc(Cl)cc1 102081970 ABANHPVMOWARPS-BQFCYCMXSA-N 350.890 3.723 0 1 FHAF C[C@H](OC(=O)COc1ccc(Cl)cc1)P1(=O)OCC(C)(C)CO1 103174183 NSAODROTDXDXCZ-LLVKDONJSA-N 362.746 3.874 0 1 FHAF CCCCNCCC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 28219502 NEGGICJXOMZDMJ-FQEVSTJZSA-N 365.521 3.982 0 1 FHAF Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12 29129478 HVCRUBIPZYUNIZ-UHFFFAOYSA-N 350.407 3.913 0 1 FHAF CCCNC(=O)[C@]1(C)CCN1C(=O)c1ccccc1CCc1ccccc1 61905201 STQRGZYQTLWCRL-QHCPKHFHSA-N 364.489 3.603 0 3 FHAF Cc1ccnc(-c2cc(Nc3nn(C)cc3Cl)nc3[nH]cc(C#N)c23)c1 219683214 CBDJPXSHMIUPAJ-UHFFFAOYSA-N 363.812 3.936 0 1 FHAF O=C(COc1ccccc1Br)c1ccc(N2CCCC2)nc1 73196346 XHDLDLGVOFTIAB-UHFFFAOYSA-N 361.239 3.706 0 1 FHAF COc1cc(O)c2c(c1CC=C(C)C)O[C@@H](c1ccccc1)[C@@H](O)C2=O 14819290 KYQFKDZILDYMMX-PMACEKPBSA-N 354.402 3.587 0 1 FHAF biogenic Cc1cc(-n2[nH]c3c(cnc4ccccc43)c2=O)c(Br)s1 137880285 BHOHNPCBEZYRFS-UHFFFAOYSA-N 360.236 3.999 0 1 FHAF CC(=O)N1CCC[C@]1(CCc1ccccc1)C(=O)OCc1ccccc1 49067525 GMCIEQJAXHIEFJ-QFIPXVFZSA-N 351.446 3.744 0 1 FHAF CCc1cc(Oc2c(C)cc(NC(=O)CC(=O)O)c3c2CCC3)ccc1O 95594153 XSRIPYSSPXVKKY-UHFFFAOYSA-N 369.417 3.957 0 1 FHAF NC(=S)n1c(/C=C/c2ccccc2)nc2sc3c(c2c1=O)CCCC3 96928934 YWRRHJSVRSYZMQ-ZHACJKMWSA-N 367.499 3.599 0 1 FHAF CN1CC=CCOCc2ccc(o2)-c2ccnc(n2)Nc2cccc(c2)C1 299814943 NAMNDYOCPPYNFK-UHFFFAOYSA-N 362.433 3.998 0 1 FHAF CCN1CCC[C@@H]1C(=O)NC12C[C@H]3CC(F)(C[C@@H](C1)c1ccccc13)C2 653798453 XMJPBNRILVCKGI-LTWUZEEKSA-N 356.485 3.893 0 1 FHAF COc1nc(N(C)C)sc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536108 RGTVCPZWOIGUEB-HNNXBMFYSA-N 358.463 3.803 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc([C@@H](C)O)s2)N1 587855368 VFBCJZVCKCEEKI-WFEFGEHDSA-N 371.275 3.722 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1cnn(CC)c1C)(C(F)F)CC2=O 587465606 JAZKVUHJHUZUJN-IBGZPJMESA-N 364.392 3.995 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2nccc-2c1 587588056 JDVPBXYWBGPISS-PXNSSMCTSA-N 358.353 3.923 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccn2nccc2c1 587588923 VIZNHNHMQKXGMM-GHTZIAJQSA-N 358.353 3.743 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[C@@H](C2)C3=O 587436029 MHWRRQVJLHGARG-PYDTXJQDSA-N 373.449 3.601 0 1 FHAF C[C@@]1(c2cc(O)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580586 SHZHQTQIJNDAJU-RXVVDRJESA-N 363.369 3.557 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@@H]1[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]2[C@@H]5C[C@H]41 587602260 HGCIWKZDORRHBM-HAIIOAODSA-N 372.420 3.870 0 1 FHAF COc1ccccc1-c1cc(O)n(-c2ccnc(Br)c2)c1O 587941046 RCFJAOFCNWOXHP-UHFFFAOYSA-N 361.195 3.722 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(F)F)N1 587723253 WEIXTPYGNVJGRV-NXSYQRQQSA-N 350.178 3.562 0 1 FHAF O=C(c1cc(Br)cs1)n1ncc2ccc(Cl)cc2c1=O 587654624 WJPVJZXRMORQLH-UHFFFAOYSA-N 369.627 3.562 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccco2)[nH]n1 587872270 JDVKZJVWXVHKPT-UHFFFAOYSA-N 366.352 3.760 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ncsc1C(=O)OCC)CC2=O 587495200 NVQFMRBCIAZQAN-AWEZNQCLSA-N 361.419 3.684 0 1 FHAF O=C1COc2cc3[nH]c(-c4ccc(C(F)(F)F)cc4F)nc3cc2N1 587109353 HYMQXWPVQQEIOC-UHFFFAOYSA-N 351.259 3.719 0 1 FHAF COC(=O)c1cc(Cl)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587420582 QIVVTVXLJLJHCY-RDTXWAMCSA-N 358.777 3.624 0 1 FHAF Cc1ccc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1C(F)(F)F 587095592 MAEDIQSGYLBGFD-UHFFFAOYSA-N 361.323 3.812 0 1 FHAF O[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)c1ccccc1Cl 587057512 AJYXRPUTFUWOCR-LLVKDONJSA-N 356.582 3.595 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)c(CC)o1)CC2=O 587479495 IIGOWPLJLVGLJZ-GOSISDBHSA-N 358.390 3.993 0 1 FHAF Oc1c(Br)oc2c(F)c(I)ccc12 957657439 JJRUAHMJRYCDEF-UHFFFAOYSA-N 356.916 3.645 0 1 FHAF COc1cc2c(cc1OC)[C@]1(C=CN(C)c3ccccc31)N(C)[C@@H](C)C2 962635792 MMTNKZMTQJXYQO-OYHNWAKOSA-N 350.462 3.787 0 1 FHAF O=C(NC[C@H]1Cc2cccc(-c3cccnc3)c2O1)c1ccc2cc[nH]c2c1 11910949 OIVTYRIUXWNFEX-LJQANCHMSA-N 369.424 3.963 0 1 FHAF CC1(C)[C@H]2CC[C@H]([C@@H](O)C(F)(F)C(=O)c3ccc4c(c3)OCO4)[C@H]1C2 169295331 YKRZWVJRXGAVES-APNQJHFZSA-N 352.377 3.667 0 1 FHAF Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCCC3)nc21 168054291 MFNOQAZZZQNNRT-UHFFFAOYSA-N 372.375 3.754 0 1 FHAF CCC[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F 204410644 BRIDWQJJZHBXQC-GFCCVEGCSA-N 357.351 3.552 0 1 FHAF COc1csc(-c2cc(Nc3ccc(N4CCN(C)CC4)cc3)n[nH]2)c1 1857535031 GICBKNLSDBAJQI-UHFFFAOYSA-N 369.494 3.642 0 1 FHAF O=C(C1CCCCC1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1 1857550259 AUHTXVYDYYFURI-FQEVSTJZSA-N 367.493 3.765 0 1 FHAF CC[C@H](C)C(=O)c1c(O)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)[C@H](O)C2 1857611375 UDTDMQAXDZSUQL-SMDDNHRTSA-N 360.450 3.880 0 1 FHAF C[C@@H]1CCCN1c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 766636 GHKVKHMIWWNKLC-CQSZACIVSA-N 366.490 3.740 0 1 FHAF CCCNc1cccnc1N1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 6380553 WRLCWJMJVYMYQG-UHFFFAOYSA-N 368.525 3.851 0 1 FHAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC[C@H](C)[C@@H]3O 6381607 TXJUQTAMRSPFTG-GTNSWQLSSA-N 356.418 3.992 0 1 FHAF Cc1cc(N(C)C)ccc1NC(=O)C1=C(O)CCn2c1nc1ccccc12 100040125 ZAVRBXDWCJVJKO-UHFFFAOYSA-N 362.433 3.722 0 1 FHAF Cc1nc(N)cc2c1cc(-c1cnc3c(ccn3C)c1)c(=O)n2C1CCCC1 103260631 NDJWGRGPGLHPHE-UHFFFAOYSA-N 373.460 3.956 0 1 FHAF NCCCN(C(=O)/C=C/c1c[nH]c2ccccc12)[C@@H]1CCc2ccccc2C1 28825862 HYJZEWJCAKFIFB-ZOXUKVPXSA-N 373.500 3.916 0 1 FHAF CCOc1ccccc1[C@H]1C2=C(O)OCC2=Nc2cc3c(cc21)OCO3 101675803 MTLWDRFVKKEAFT-GOSISDBHSA-N 351.358 3.832 0 1 FHAF O=S(=O)(CCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1 28348730 GHZCMFUCRFWECW-UHFFFAOYSA-N 371.462 3.708 0 1 FHAF COC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1 29221139 YMLLITAADRUCSB-UHFFFAOYSA-N 364.401 3.706 0 1 FHAF COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CC2CCC(C)CC2)cc1 27205820 FFYFZLDCFYQWQC-CAOKTKFFSA-N 355.526 3.808 0 1 FHAF CC1=Cc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1 62242256 LZIANNQBBHNPFV-UHFFFAOYSA-N 365.867 3.809 0 1 FHAF CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCCSC1=NCCS1)C(=O)O 26027421 WVLTUXHIFJAZLS-BFTHVDOESA-N 370.540 3.514 0 1 FHAF COc1ccc(-c2ccc(=O)n(CCCc3ccccc3)n2)cc1OC 28476335 FOXQXUPYSIQJFO-UHFFFAOYSA-N 350.418 3.560 0 1 FHAF CC(C)[C@@H]1[C@@H]2N[C@H]3O[C@@H]1C[C@@]1(C)[C@H]3CC[C@@H]3CCC=C3[C@@]21CCC(=O)O 2356522782 SOIZKWUEDVIFPK-GCUNEABGSA-N 359.510 3.963 0 1 FHAF Fc1ccc2c(c1)nc1n2[C@H](CNCc2ccnc3ccccc23)COC1 2356688875 PMEJXXSEKWKLMP-MRXNPFEDSA-N 362.408 3.585 0 1 FHAF CCCCCN1CCC2(CC1)O[C@@H](OC)Cc1c2cnn1-c1ccccc1 72116472 RMVFRQIWSFNEFP-OAQYLSRUSA-N 369.509 3.899 0 1 FHAF O=C(c1nc(CO)c[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 40567781 BSSRORGTWWUWNV-UHFFFAOYSA-N 365.820 3.789 0 1 FHAF CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccno2)cc1 45253574 HKZHQPXESCTHHD-KRWDZBQOSA-N 364.449 3.965 0 1 FHAF Cc1cc(N2CCc3nc(COc4ccccc4)cn3C2=O)ccc1F 144244285 BSIXDGGMPVVKLK-UHFFFAOYSA-N 351.381 3.940 0 1 FHAF O=C1C=C2C=C(c3cccc(C(F)(F)F)c3)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 653687094 NGFCGIMXINMDEK-SCTDSRPQSA-N 361.363 3.951 0 1 FHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3c(S)nc(S)nc3[nH]2)c1 587242317 SHUWZGWIYDWATR-UHFFFAOYSA-N 359.480 3.582 0 1 FHAF Cn1cc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587496506 HRDTYTPLQNXSDA-HNNXBMFYSA-N 361.239 3.768 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cccc(OC)c1 587870943 VZYYOPSFFCSBRO-UHFFFAOYSA-N 370.380 3.816 0 1 FHAF O=C(NCc1nc2cc(Cl)cnc2[nH]1)c1cccc(C(F)(F)F)c1 587111151 JUIUYEGYKPQROO-UHFFFAOYSA-N 354.719 3.560 0 1 FHAF CCn1cc(Br)c(Cc2nc3cc(Cl)cc(F)c3[nH]2)n1 586999660 FBACIAOLUSMGSW-UHFFFAOYSA-N 357.614 3.925 0 1 FHAF O=C1C[C@@]2(CCS(=O)(=O)c3ccccc32)Oc2c1ccc1c2CCCC1 587531155 JXXJSWBUINHZQQ-OAQYLSRUSA-N 368.454 3.604 0 1 FHAF CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587590132 XZDBFYWYBNNANT-WIYYLYMNSA-N 363.369 3.889 0 1 FHAF C[C@@]1(c2cccc(OCC(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587526436 XPTNBLNDCZZMNB-QFIPXVFZSA-N 366.413 3.909 0 1 FHAF CC[C@@]1(c2cncn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587752810 GJXHVEWNCWKIHT-HWPZZCPQSA-N 352.251 3.510 0 1 FHAF Cc1nc(O)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587770339 IULPRNFPAFSQQN-VVVCHXIZSA-N 365.246 3.795 0 1 FHAF CCOC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419907 NMXVSAGSMDRHFY-QRWLVFNGSA-N 372.804 3.555 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCSc4ccc(OC)cc41)[C@@H](C2)C3=O 587450702 HKXIGVJCQPTRFA-MGPUTAFESA-N 354.427 3.843 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(CSc1nncs1)CC2=O 587498132 YXBWDDNDVSIBKR-MRXNPFEDSA-N 350.465 3.712 0 1 FHAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(Br)cnc3[nH]2)c1 587050527 OSYLATQMIOWMDR-UHFFFAOYSA-N 365.618 3.999 0 1 FHAF O=C(O)CCOc1ccccc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963102939 SWIVMTRMDPMZOA-IERDGZPVSA-N 355.409 3.789 0 1 FHAF CCn1cc2[nH]c3c(-c4cc(OC)ccc4OC)cccc3c(N)c-2c1=O 169729118 RXTJWBVJIKNJTF-UHFFFAOYSA-N 363.417 3.721 0 1 FHAF CC=CC=CC=CC(=O)O[C@@H]1C=C[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356382023 KKQZGPSOJHPQNX-IVOMFYJKSA-N 360.494 3.713 0 1 FHAF CC[C@@H](C)N1C(=S)SC(C)(C)[C@H]1N(O)C(=O)NC1CCCCC1 4795206 JYMOBQLSSLRCRX-DGCLKSJQSA-N 359.561 3.957 0 3 FHAF CC[C@H]1CC[C@@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)C1 101678239 ASUPALFNMIVBLS-XJKSGUPXSA-N 362.857 3.642 0 1 FHAF C=C1C=C(C)n2ncc(C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)c2N1 103119657 BNZGRWSOFVPZMV-UHFFFAOYSA-N 357.801 3.547 0 1 FHAF C[C@]1(C(=O)NCc2cccs2)Cc2c(-c3ccccc3)ccnc2O1 61907642 YADFLICCOFQOES-HXUWFJFHSA-N 350.443 3.820 0 3 FHAF CC[C@@H](C)n1c(=O)c2cnc3c(OC)cccc3c2n(C2CCCC2)c1=O 117790765 NBFTZVSMVCSLPI-CYBMUJFWSA-N 367.449 3.806 0 1 FHAF C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4[C@@H]4C[C@@H]4[C@@H]3[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 38214653 WAORTEATHIIKSN-XRIRHHNASA-N 352.474 3.916 0 1 FHAF COc1ccc(OC)c(/C=C(/c2cc(OC)c(OC)c(OC)c2)[C@@H](C)O)c1 71296972 NNVHOZVXQKWTQP-VGSSETLESA-N 374.433 3.651 0 1 FHAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3ccccc3)n2n1 40936393 BJLZPTOHGUCYSU-UHFFFAOYSA-N 358.405 3.600 0 1 FHAF CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4)[nH]c3c2)ccn1 45495862 LJXIZYBXHYANCP-UHFFFAOYSA-N 359.389 3.853 0 1 FHAF N[C@H](CCC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(=O)O 95585508 LWNPDFDYNCEJMI-OAQYLSRUSA-N 361.441 3.919 0 1 FHAF FC(F)(F)c1cnc(Nc2ccc([C@@H]3CNCCO3)cc2Cl)nc1 149997763 FQWDUIMJRSIUPC-ZDUSSCGKSA-N 358.751 3.553 0 1 FHAF CC(=O)Nc1ccc2c(N)ncc(-c3ccc(-c4cnn(C)c4)cc3)c2c1 653831391 NUIUYBDMUVUCKC-UHFFFAOYSA-N 357.417 3.843 0 1 FHAF C[C@@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525180 SXPPOCLMJCHUJC-QFIPXVFZSA-N 366.413 3.909 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncc(F)c2)N1 587734346 QTONZZZJEUEEOM-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1nccs1)CC2=O 587493701 GCXGLQUELZDCQP-IBHIWXBSSA-N 358.463 3.737 0 1 FHAF Oc1nncc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063845 ZKPWZIGLMYTQJV-UHFFFAOYSA-N 352.781 3.958 0 1 FHAF CC1(C)O[C@H]2c3nc4ccc(O)c5c4c(c3C[C@H]2O1)-c1ccccc1C5=O 586991286 MGXGRBIVDAFLLU-QVKFZJNVSA-N 359.381 3.901 0 1 FHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CN[C@H](C(=O)O)C3)c1 587362756 JWTAHMGKOFCRNG-INIZCTEOSA-N 374.396 3.756 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCCCC2)N1 587765999 LUCYURRMMIMGOU-YVEFUNNKSA-N 355.295 3.824 0 1 FHAF CCN(CC)C(=O)Nc1ccc([C@]2(C)NCCc3c(C)ccnc32)cc1 963072713 UNGWMUMMFYCJDV-NRFANRHFSA-N 352.482 3.673 0 1 FHAF CC(C)[C@@H]1CC[C@@]2(C1)N[C@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12 962645181 VKELAJAMZRPSOL-IGCXYCKISA-N 357.372 3.836 0 1 FHAF C[C@@H]1COc2ccccc2[C@]12c1c(Cl)ccc3c1CCN2[C@@H]3C(=O)O 962570928 HZRRKNPUWMTMOO-PEECDGGASA-N 355.821 3.610 0 1 FHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cc(C(=O)OC)ccc1N 963235597 XBBOTHBJSDNRES-NYHFZMIOSA-N 352.478 3.976 0 1 FHAF Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(OC(F)(F)F)cc1 225939746 OTBZGJHFGXDSHF-UHFFFAOYSA-N 363.295 3.746 0 1 FHAF COc1ccc(C2=NO[C@@](C)(c3nnc(-c4ccc(F)cc4)o3)C2)cc1 13478359 FYDJYLBKWFITBV-LJQANCHMSA-N 353.353 3.924 0 3 FHAF C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C/OC)C(=O)OC 15252911 VAMJZLUOKJRHOW-GYKCXNQNSA-N 366.461 3.737 0 1 FHAF CC1=C([C@H](C)c2cccc(Oc3ccccc3)c2)O[C@@H]2[C@@H](O)CCN2C1=O 169318284 JEMRWTBDJCHWAI-YFYZNPQRSA-N 365.429 3.806 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C)cc1 169723982 WNSQPPAIAVFJAU-FUHWJXTLSA-N 357.450 3.958 0 1 FHAF CN(C)Cc1ccn2c(-c3cc[nH]c(=N)c3)c(-c3ccc(F)cc3)nc2c1 1857540063 GVBJXICMECMKRC-UHFFFAOYSA-N 361.424 3.677 0 1 FHAF CC(C)C[C@@H]1C(=O)N[C@@H](C)CN1C(=O)c1ccc(-c2ccccc2)cc1 1857613716 NRQXXLICFHQCOS-OXJNMPFZSA-N 350.462 3.729 0 1 FHAF C[C@H](NC(=O)c1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356299815 OSGZOCKJUMGEQV-NSHDSACASA-N 354.337 3.670 0 1 FHAF O=C1c2cc(C(F)(F)F)ccc2CC12CCN(CC1CCOCC1)CC2 1911577152 IAPWHFBXQDWMHB-UHFFFAOYSA-N 367.411 3.953 0 1 FHAF c1ccc(CN2CCN(c3ncnc4oc(-c5ccccc5)nc34)CC2)cc1 28103197 LPHBGAGVDHVPNS-UHFFFAOYSA-N 371.444 3.607 0 1 FHAF COc1cc([C@H]2CC(c3ccc(F)cc3)=NN2C(C)=O)cc(OC)c1OC 64373565 VGCJJNGVUIZQCG-QGZVFWFLSA-N 372.396 3.549 0 1 FHAF N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(F)cc1)C(=O)O 27102754 OKNDVBGKGLECQV-IUYQLWOBSA-N 369.373 3.819 0 1 FHAF COc1cc(-c2ccc(Cl)cc2)c2oc(N3CCOCC3)cc(=O)c2c1 26735340 WUKYMXSFELJAKT-UHFFFAOYSA-N 371.820 3.959 0 1 FHAF C[C@H]1[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C2)CN1C 2356691359 GYABRMDCDGXMRC-WLBAOCANSA-N 372.597 3.780 0 1 FHAF COC(=O)[C@@H]1CCC[C@]23[C@H](C)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@H]12)[C@@]43O 2356765092 NOYOVPKOEBZOML-SPWWOQFASA-N 360.450 3.573 0 1 FHAF CC[C@]12C=C(C(=O)OCOC)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 34778441 YFTYPMACWTZHPH-IFMALSPDSA-N 366.461 3.732 0 1 FHAF C[C@H](O)[C@H](C)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103818 FDCZUAWLCBAHKC-QYWGDWMGSA-N 373.928 3.648 0 1 FHAF COc1cc(N2C(=O)c3ccc(C(C)(C)C)cc3C2=O)cc(OC)c1OC 71342100 UCKCQKFFYZEKJR-UHFFFAOYSA-N 369.417 3.811 0 1 FHAF COc1cc(OC)c(C[C@H]2C(=O)c3ccccc3C2(C)C)c(C(=O)O)c1 13383536 OFASBMPLCKZWQK-KRWDZBQOSA-N 354.402 3.735 0 1 FHAF biogenic O=C(N[C@H](Cc1cccc(F)c1F)C(=O)O)c1ccc2ccccc2c1 49068795 HHCGNWGXRNKCRI-QGZVFWFLSA-N 355.340 3.544 0 1 FHAF O=C1CCC/C=C\C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2/C=C\[C@@H](CCc2ccccc2)O1 40465276 RIBUBQDYGJHEOM-XTJLUKOFSA-N 370.489 3.575 0 1 FHAF CCC1=CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@@]42CN(C)C1 238735963 ONAGOPFNNJDPCW-KIVGMTSRSA-N 371.521 3.928 0 1 FHAF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OCCC(=O)O)ccc3CC[C@@H]12 473119291 AMLIIQJPWBNSLX-UIFIKXQLSA-N 360.450 3.723 0 1 FHAF Cn1cc(-c2ccc(Cc3n[nH]c4ccc(N5CCCC5=O)cc34)cc2)cn1 653742633 DALLTCCRBXGGIY-UHFFFAOYSA-N 371.444 3.681 0 1 FHAF CC(C)(SCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(=O)O 586958270 ASLFNFAAUKSBCQ-UHFFFAOYSA-N 354.431 3.890 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)c3ccco3)CC1)CC2=O 587479928 VNCORWGJPSSHQD-UHFFFAOYSA-N 369.417 3.578 0 1 FHAF N[C@@H](N=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 587080384 CFFOEIWOIPTJDA-KRWDZBQOSA-N 357.801 3.541 0 1 FHAF COC(=O)Nc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 587243415 KPSAARUXTMRKTF-UHFFFAOYSA-N 365.162 3.705 0 1 FHAF O=C1C[C@@](c2ccc(F)cc2)(c2nc[nH]n2)Oc2c1ccc1c2CCCC1 587506745 LLSZGRWDZZKTQU-OAQYLSRUSA-N 363.392 3.732 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1cc(N)ccc41)[C@@H](C2)C3=O 587438104 MCVKOBOHYWMCEN-KSFYIVLOSA-N 360.413 3.738 0 1 FHAF Cc1nn(C)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754924 FMMAQHSLJJCAOV-XYZCENFISA-N 366.278 3.736 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)cnc1NC(=O)C(C)(C)C)O2 587391503 UOOVAAZAPUXEII-QGZVFWFLSA-N 367.449 3.972 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccc(C)n1)CC2=O 587472181 YMWWGMAEUMQWKE-OAQYLSRUSA-N 368.433 3.801 0 1 FHAF CC[C@]1(C2=NCCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616384 CTPJHSRDCVDZNP-BEFAXECRSA-N 355.415 3.648 0 1 FHAF COc1ccc(C=O)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587787283 MVCDMIVQFUIXAJ-UHFFFAOYSA-N 366.602 3.862 0 1 FHAF Cc1nc2ncc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)n2n1 587528067 WMBSOAFSOKDEDX-OAQYLSRUSA-N 362.433 3.501 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCCn3cncc32)[C@@H]1c1ccc(F)cc1 587334667 FRTPBQWOYZCLQO-CTNGQTDRSA-N 364.376 3.776 0 1 FHAF CN1CCN(c2ccc3nc([C@@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)CC1 587163578 RRHIMXKSDMZFAD-ZWKOTPCHSA-N 350.441 3.725 0 1 FHAF COc1ccccc1C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599698 HKOSFNTWQKJHLX-WOJBJXKFSA-N 362.381 3.974 0 1 FHAF O=C(CCc1nc2cc(C(F)(F)F)ncc2[nH]1)Nc1cccc(F)c1 587163564 RMTCRHMAGVLROH-UHFFFAOYSA-N 352.291 3.687 0 1 FHAF CC[C@]1(Cc2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444563 VKQUFIAOBNYQCV-OPAMFIHVSA-N 368.429 3.851 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4ccccc4F)c1)[C@@H](C2)C3=O 587427822 WAGUZUXUFMVBMK-BTYIYWSLSA-N 364.376 3.683 0 1 FHAF O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587960898 GQOHZUXOVZPKME-UHFFFAOYSA-N 352.287 3.939 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccnc2Cl)N1 587701116 AGCJLKJEHLANBW-JVXZTZIISA-N 356.626 3.655 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(C=O)c1)O2 587375487 DBCXOJJAHSPYPE-MRXNPFEDSA-N 360.207 3.859 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587042517 LDHDIULTQUIHDA-OAHLLOKOSA-N 373.457 3.508 0 1 FHAF Cc1cccnc1[C@]1(c2ccc(F)cc2)NCCc2c1c(C(C)C)nn2C 962917934 MIXFOHUKYYCKCG-JOCHJYFZSA-N 364.468 3.824 0 1 FHAF CN1CCc2c(Br)cccc2[C@]12CC[C@H](C(F)(F)CN)C2 963279309 GQSOYLWKBHAJGH-XHDPSFHLSA-N 359.258 3.526 0 1 FHAF Cc1cnc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cn1 962961596 VPHBZHKNHJEICV-KRWDZBQOSA-N 363.383 3.545 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@H](c3c[nH]c4c(Cl)cccc34)c3cccc1c32 963025559 ONARVSYXOICPSN-WYRIXSBYSA-N 351.837 3.964 0 1 FHAF C[C@@H](NCCOc1cc(F)ccc1Cl)c1ccccc1S(C)(=O)=O 205698234 VZJCHFUFPSXGHD-GFCCVEGCSA-N 371.861 3.612 0 1 FHAF Cc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)=NCC(=O)N2 169335561 WPIORRPICKGZFZ-UHFFFAOYSA-N 350.809 3.624 0 1 FHAF COC(=O)/C1=C\C=C(/C(C)C)CC/C(C(=O)OC)=C\CC[C@@H]2O[C@H]2CC1 169370767 NJAATXWPYRPTPP-ZCWHVARFSA-N 362.466 3.889 0 1 FHAF O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@H](Cc2cccnc2)C1 1857610086 ZNDRAIKJKVXLHD-GFCCVEGCSA-N 351.233 3.799 0 1 FHAF CC(=O)c1onc(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1 1857649306 MZFHZRBOBFJKEA-UHFFFAOYSA-N 359.378 3.754 0 1 FHAF O=C(CN1CCCCC1)N1CCc2c([nH]c3ccccc23)[C@H]1c1cccnc1 1622975 DMHVIMVONPDXEQ-HSZRJFAPSA-N 374.488 3.523 0 1 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NC[C@H](O)CC 4213337 ZUWVZCCWAJUVPP-DJIMGWMZSA-N 352.500 3.649 0 1 FHAF CC1(C)[C@H]2CC[C@@]1(C)c1c2c(C(=O)N2CCOCC2)nn1-c1ccccc1 100472981 LPPFLTHBSKJODI-AOMKIAJQSA-N 365.477 3.520 0 1 FHAF COc1c(C(C)C)cc2c(c1OC)[C@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2O 104380689 WLRZIPVGEMNPES-CIVUBGFFSA-N 374.477 3.864 0 1 FHAF in-man CN1[C@@H]2CC[C@@H]1[C@@H]1COC(=O)CCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 101062027 IRVGZJHWMUWHKA-IYWMVGAKSA-N 370.493 3.699 0 1 FHAF OCCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 22937816 WVMPJMHWCBRDFH-FPOVZHCZSA-N 374.887 3.666 0 1 FHAF CC(C)CNC(=O)[C@@]1(C)CCCN1Cc1ccc(OC(F)(F)F)cc1 61908798 FXNQRDCCMYTWIM-QGZVFWFLSA-N 358.404 3.712 0 3 FHAF CC[C@H]1[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CCN3CC2CC2)CC(=O)[C@@H]1C 29221107 WNPYNRMJONMARB-IBCJORNRSA-N 353.506 3.922 0 1 FHAF O=c1sc2ccccc2n1CCCCN1CCN(C2CCCCC2)CC1 29134415 ZACKDLLCPUTVQK-UHFFFAOYSA-N 373.566 3.794 0 1 FHAF O=c1nc(SCc2ccccc2)nc(SCc2cccc(F)c2)[nH]1 72124725 RBRWGAKNJGSHJG-UHFFFAOYSA-N 359.451 3.889 0 1 FHAF CC(C)NC(=O)C[C@]1(C)N=C(c2ccc(-c3ccccc3)cc2)N(C)O1 74374621 NWDSWKBJYJLULS-OAQYLSRUSA-N 351.450 3.608 0 3 FHAF Cc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccccc2F)o1 82175554 NFSAGNQOYGIXQO-CYBMUJFWSA-N 354.385 3.837 0 1 FHAF COC(=O)c1ccc(Nc2ncc3c(n2)-c2sc(C)nc2CC3)cc1 45368241 SXTFKTKGQZLIBF-UHFFFAOYSA-N 352.419 3.537 0 1 FHAF COc1ccccc1-c1nc2ccc(C(=O)O)cc2nc1N(C)C(C)C 143394233 TUSJWOWAAIKIPS-UHFFFAOYSA-N 351.406 3.848 0 1 FHAF CO[C@]1(C(C)(C)O)/C=C/[C@@](C)(O)CC/C=C(\C)CC(=O)C[C@H](C)CC1 238742585 PUAPJGQBSUWLAY-UBTJDZBVSA-N 352.515 3.955 0 1 FHAF Cc1cc(SCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1 95552367 JBPKCJMARVRSBZ-UHFFFAOYSA-N 372.321 3.912 0 1 FHAF O=C1c2nc3ccccc3n2CCN1CCCOc1ccc(F)c(Cl)c1 2382218497 IDPKRXJIAOXEBM-UHFFFAOYSA-N 373.815 3.754 0 1 FHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(F)cc(F)c2[nH]1 586973022 MFXVYMXPEZTCJU-INIZCTEOSA-N 361.417 3.952 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nccn3c2)N1 587774368 MTSGCPKZFXGKIH-BMLIUANNSA-N 360.230 3.860 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](C(=O)c1ccc(OCC)cc1)CC2=O 587483293 WMTKNICXPSDPHO-IBGZPJMESA-N 354.402 3.960 0 1 FHAF CCOC(=O)C[C@@]1(c2ccc(F)c(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587382058 NSLIZZBGYQLEHV-OAQYLSRUSA-N 371.408 3.839 0 1 FHAF CCCCS(=O)(=O)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587409649 NIBCDAYJYKZMJI-LJQANCHMSA-N 373.474 3.858 0 1 FHAF O=C1C[C@H](c2ccccc2N2CCNCC2)Oc2c1ccc1c2CCCC1 587516194 ZWYKNRCEHSRHAI-JOCHJYFZSA-N 362.473 3.682 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(OC)nc3Cl)nc2c1 587084049 SUDRQMNJELKZMU-UHFFFAOYSA-N 352.177 3.727 0 1 FHAF Nc1ccc(F)c(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c1 587141441 SIFLBCVRPGHCIQ-UHFFFAOYSA-N 355.598 3.686 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(C2CC2)N1 587741435 NDKNACSTOKXEGZ-GVMAILNXSA-N 353.279 3.803 0 1 FHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1 587245221 QXGPQXFGRMPMIT-UHFFFAOYSA-N 372.388 3.579 0 1 FHAF CCCC[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599140 WAYMDPIZTFKJBA-UWJYYQICSA-N 370.401 3.846 0 1 FHAF COC[C@]1(c2cccc(Cl)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425730 GWMVUWAOVWZUOA-BFUOFWGJSA-N 362.784 3.777 0 1 FHAF Cc1ncc(-n2c(O)cc(-c3ccc(F)cc3)c2O)nc1Br 587939369 CBUKUEGQRLIWQD-UHFFFAOYSA-N 364.174 3.556 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)Cc2ccnn2C)N1 587759355 KJLQDKKVAMTLJI-CZIZLABSSA-N 366.278 3.776 0 1 FHAF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cs1 962704066 UDHKXWASSYAYEJ-ZIAGYGMSSA-N 359.344 3.903 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1ccc(C(N)=O)s1 962372571 IWDGUOPFSSLMRM-LJQANCHMSA-N 371.531 3.569 0 1 FHAF COc1cc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)cc(O)c1OC 963087584 DAUBQWZOFAGRFH-KKSFZXQISA-N 357.425 3.833 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1ccc2c(c1)cc(O)n2C 963632042 DYUJOIRHSGETKW-DMZKTXOQSA-N 366.461 3.699 0 1 FHAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cccs1 167443510 VKKWZNAYZQOPJG-UHFFFAOYSA-N 365.458 3.553 0 1 FHAF O=C(OCCc1ccccc1)N(c1ccccc1)[C@H]1CN2CCC1CC2 1857611144 GUYHTHYSWVZNOT-NRFANRHFSA-N 350.462 3.967 0 1 FHAF CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@H]3CO)nc(-c2ccncc2)n1 2356424948 AFYSCWJSGIIGGW-FHWLQOOXSA-N 366.509 3.612 0 1 FHAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(CC(C)C)no1 3590221 BOVCSKYAYYYJNV-UHFFFAOYSA-N 369.469 3.692 0 1 FHAF O=c1c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2nc2[nH]ncn12 102845625 XSFSDEWCHYCDBF-UHFFFAOYSA-N 373.803 3.953 0 1 FHAF 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c1ccc(OCCCCn2c(N3CCOCC3)nc3ccccc32)cc1 473248083 LJRFKKLOGXLRAB-UHFFFAOYSA-N 351.450 3.732 0 1 FHAF CCn1cc([C@]2(CC)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587764129 OIZPMAVBNODEQV-DIFFPNOSSA-N 366.278 3.992 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OC[C@H]1CCCO1)O2 587413591 SBBYCYAVCWCPTP-JLTOFOAXSA-N 353.418 3.842 0 1 FHAF COC(=O)c1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C)c[nH]1 587623796 PTDMXLFECRHWLY-UHFFFAOYSA-N 373.210 3.897 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(=O)c1ccc(Br)cc1)O2 587373172 RTKQGKCOEIHYPH-HNNXBMFYSA-N 360.207 3.556 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(F)cc1F)[C@@H](C2)C3=O 587427229 QZYMRKSWOIFTBQ-RNODOKPDSA-N 373.355 3.508 0 1 FHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(F)cnc(Cl)c4[nH]3)cc2N1 587126609 ZDHZRGUUGNYXMP-YLWLKBPMSA-N 374.729 3.921 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c[nH]c(C(=O)O)c1)O2 587396550 LTRXZMJUQPPFKU-OAQYLSRUSA-N 362.385 3.513 0 1 FHAF CCOc1ccc(OCC)n1-c1cc2cnccc2c(Br)n1 587941593 QGPZPEBRFSQJQJ-UHFFFAOYSA-N 362.227 3.980 0 1 FHAF CCOC(=O)[C@@H]1[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]21 586990858 GXRHDHWMJRFNLH-UYHISHBKSA-N 371.392 3.601 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(CC(F)F)c1C)CC2=O 587467976 VUJHWSHLNITPKG-MRXNPFEDSA-N 350.365 3.821 0 1 FHAF Clc1ccc(OCc2nc3cnc(Cl)[nH]c-3n2)c(Br)c1 586976887 IMKFBCQYGQAQSU-UHFFFAOYSA-N 374.025 3.953 0 1 FHAF Cc1c(O)ccc2c1[C@H](c1ccc(-c3ccc(F)cc3)o1)N[C@H](C(=O)O)C2 963487196 CIVUFXVQTSQRQQ-YWZLYKJASA-N 367.376 3.788 0 1 FHAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(OCC(F)(F)F)nc1 963257645 MEQYCRNHMSBGAP-MRXNPFEDSA-N 372.774 3.920 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cnc([C@H]2CCCO2)s1 963643205 ZMFXKMZWSWZBTR-BKGUAONASA-N 360.479 3.635 0 1 FHAF CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCOCC(=O)O 169316660 CVWUEAVZYKFDAH-ZQAFEEHCSA-N 368.514 3.987 0 1 FHAF CC(C)NC(=O)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 866023 ORGDZNBZPDGUAN-KBPBESRZSA-N 370.350 3.821 0 1 FHAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214667 KALISVBWZTZWPV-XGXHKWSGSA-N 362.470 3.713 0 1 FHAF CN(C)c1ccc(NC(=O)C2=C(O)CCn3c2nc2ccccc23)c(F)c1 100040129 UFQHPIBJXDLGRQ-UHFFFAOYSA-N 366.396 3.553 0 1 FHAF COc1ccc([C@]23CCC(=O)N2C[C@@H](COc2ccc(Cl)cc2)O3)cc1 27522366 IVWCPBRJGXYFNI-AZUAARDMSA-N 373.836 3.602 0 1 FHAF COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@H](C2)N(C)CC[C@@]314 29404877 JUUYNFHQKQIBCF-WYWCTVAXSA-N 372.468 3.981 0 1 FHAF CCOc1cccc([C@H]2CCc3cc(OC)c(OC)c(OC)c32)cc1=O 27330767 MLNFTJJAUJRVBN-OAHLLOKOSA-N 356.418 3.549 0 1 FHAF C[C@@H]1CC[C@]2(C)[C@H](C(=O)O)CCC[C@]2([C@@H]2C[C@@H](c3ccoc3)OC2=O)O1 2356469946 INWZWHMIZIAHCP-WNOOKSAPSA-N 362.422 3.713 0 1 FHAF COC=C(C(=O)OC)[C@@H](C)[C@H](C=Cc1ccc(Cl)c(OC)c1)OC 2356538445 DPNYGWABRKPFDE-WBMJQRKESA-N 354.830 3.716 0 1 FHAF CC[C@@H]1c2cc(OC)c(OC)cc2N2C(=O)C[C@]34C=CCN(C)[C@]23[C@@H]1CC4 2356711846 CEKNPBOCKIXUJV-UDUMWDJMSA-N 368.477 3.542 0 1 FHAF COc1cc(OCC=C(C)C)c2ccc(=O)oc2c1OCC[C@H](C)CO 14776237 AMNCEBXQVYORQI-AWEZNQCLSA-N 362.422 3.544 0 1 FHAF biogenic CC(C)CCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O 87530419 KGHLSJONZZZQPJ-KORIGIIASA-N 365.451 3.507 0 1 FHAF in-vitro O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cnccn1 40874464 XDGCTCMTQVAOMK-UHFFFAOYSA-N 366.384 3.616 0 1 FHAF O[C@H](COCc1ccc(Cl)cc1Cl)CN1CCc2ccccc2C1 220893977 GWHHZTRDFLGVLH-SFHVURJKSA-N 366.288 3.929 0 1 FHAF CC(C)OC(=O)CCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 96911357 UMTAVENMCNHZKS-LJQANCHMSA-N 351.874 4.000 0 1 FHAF CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(F)cc(F)c2c1=O 95552314 WPRROEVYJHDJHF-UHFFFAOYSA-N 359.328 3.659 0 1 FHAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2CC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 253642313 VQKLFYFQQYOFJU-BWUHRYBWSA-N 367.537 3.808 0 1 FHAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261174984 URKYBTISJBKTKP-UAPYVXQJSA-N 372.509 3.680 0 1 FHAF C[C@H](Cc1cc2c(cc1O)OCO2)[C@@H](C)C(=O)c1ccc2c(c1)OCO2 40423836 NZZRRNMWPWPQPA-VXGBXAGGSA-N 356.374 3.547 0 1 FHAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1cc(C)ccc1C)O2 587407747 KVPHXDNXEWDNSB-NRFANRHFSA-N 353.418 3.920 0 1 FHAF NS(=O)(=O)c1cccc(-c2nc(-c3cccc(Cl)c3)cs2)c1 587921414 WYCITGXKGCBVRD-UHFFFAOYSA-N 350.852 3.778 0 1 FHAF Oc1nc(O)c2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2n1 587062748 KNVFDZONBDLHIL-UHFFFAOYSA-N 352.781 3.675 0 1 FHAF Cc1c(F)ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587151464 ZWSINTPGLLWGQO-GFCCVEGCSA-N 359.351 3.805 0 1 FHAF COc1cnc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1Cl 587064726 OGEMUHZTMJJMRZ-UHFFFAOYSA-N 364.114 3.701 0 1 FHAF Cc1ccc(F)cc1[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587500804 DDUWRJVDCCWSRG-OAQYLSRUSA-N 354.377 3.958 0 1 FHAF CCc1ccc(-c2nc3ccc(C(=O)OC)nc3[nH]2)cc1Br 586977945 SJZXKBVWJKMXDN-UHFFFAOYSA-N 360.211 3.736 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC(F)(F)F)ccc1O)[C@@H](C2)C3=O 587420767 HIOHUGYOYZKLPM-SJCJKPOMSA-N 366.291 3.788 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccncc1NC(=O)C(C)(C)C)[C@@H](C2)C3=O 587432053 JXNUEKBXTDYIHU-IFXJQAMLSA-N 366.417 3.564 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3ccc(Br)c(O)c3[nH]2)c1C 587239707 VDPGMUWCVRIRAZ-UHFFFAOYSA-N 374.238 3.829 0 1 FHAF Nc1ccnc2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc12 587138457 JJXAVYDJXFLBJX-UHFFFAOYSA-N 366.327 3.851 0 1 FHAF Nc1ccc(-c2ccc3nc(-c4cc(F)c(N)c(F)c4)[nH]c3c2)cc1N 587135100 SYPMCQDFVXBEPY-UHFFFAOYSA-N 351.360 3.922 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccnn2C)N1 587760108 OCDHNOXMJWSWJS-FPKKPOMPSA-N 364.262 3.785 0 1 FHAF CCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1OCC 587440716 HXINMJQDZLXESP-QRWLVFNGSA-N 354.402 3.981 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(F)c(F)c1)[C@@H](C2)C3=O 587425959 ITPMNDMUAPHKHD-RBZFPXEDSA-N 373.355 3.508 0 1 FHAF CCc1ccc(C(=O)CCc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc1 587956616 HCQILNZYYODXBK-UHFFFAOYSA-N 366.417 3.736 0 1 FHAF Cc1cnc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587588641 RDPPSVVEVQCAGT-UWJYYQICSA-N 362.385 3.676 0 1 FHAF CCOC(=O)C1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587797053 LOQDDCLKTSMLBR-QFYYESIMSA-N 370.262 3.681 0 1 FHAF Cc1ncn(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587754212 KPYVBTPNZWIIPA-QGHHPUGFSA-N 366.278 3.851 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(O)c3[nH]2)cc1 587041519 WQSNHIYZXJGPOB-OAHLLOKOSA-N 369.446 3.555 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nn(-c4ccccc4)cc31)O2 587392855 WICXJZYRIWPUDL-QFIPXVFZSA-N 359.429 3.960 0 1 FHAF COC(=O)c1occc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587828578 OJKGLPFTFVAEET-CLAHSXSESA-N 368.202 3.591 0 1 FHAF Cc1ccc([C@@]2(c3cc(F)cc(F)c3)NCCc3c(C)ccnc32)cn1 963071521 JLJQZRCREOZTDT-NRFANRHFSA-N 351.400 3.809 0 1 FHAF CN(C)CCN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 12671601 TZYDTPVLMWSHME-FMIQGQKWSA-N 374.569 3.658 0 1 FHAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2ccc(Cl)cc2)nn1 203462400 OZVMBRPCDPKBLJ-UHFFFAOYSA-N 370.840 3.748 0 3 FHAF Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(N2CCCCC2)nc1 1857572383 ACTKOGWQCDHHKY-UHFFFAOYSA-N 362.477 3.834 0 1 FHAF CC1=C[C@H](O)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccccc2)C1 2356331964 XFIOXSQDNUOOPB-GVMRPCBKSA-N 358.478 3.726 0 1 FHAF COCCn1cc2c(n1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C2 28526855 YSZGTYAHCXJWGC-IIZPIQPGSA-N 352.478 3.805 0 1 FHAF CCNC(=O)[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 61903002 LJONVXKBOBXTEE-FQEVSTJZSA-N 364.489 3.583 0 3 FHAF Cc1ccc([C@@H]2C(=S)NC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F 113894591 AZZFRDKXGUGTRC-OAHLLOKOSA-N 358.373 3.748 0 1 FHAF Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCCc3ccccc3)c2)on1 20580151 FCHXXIAJISKUGE-UHFFFAOYSA-N 370.474 3.870 0 1 FHAF C[C@H](CCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 2356484962 NRXYKCLIMLPUIO-PKRADWSKSA-N 374.518 3.624 0 1 FHAF O=C(c1nc2cc(O)ccc2[nH]1)N1CCC(Cc2ccc(F)cc2)CC1 35259641 WMDRFHIBJASGEQ-UHFFFAOYSA-N 353.397 3.503 0 1 FHAF Cc1cccc(-c2nc(Nc3cccc(C(N)=O)c3)c3ccccc3n2)n1 42989754 GTNLXSLOAUBPKE-UHFFFAOYSA-N 355.401 3.843 0 1 FHAF CC(C)(O)CCC[C@@]1(O)C(=O)c2ccccc2-c2nc3ccccc3nc21 42923229 VHNVYFPVBRLZTE-QFIPXVFZSA-N 362.429 3.622 0 1 FHAF O=C1N(c2cccc(C(F)(F)F)c2)CCN1c1cnccc1C1(O)CC1 143906040 IIWXZCJUXXDSQC-UHFFFAOYSA-N 363.339 3.528 0 1 FHAF COC1=C(C(=O)C(C)C)C(=O)C2=C(O[C@@](C)(CCC=C(C)C)C=C2)C1=O 85830555 COIZRIHFOLCWCP-NRFANRHFSA-N 358.434 3.609 0 1 FHAF biogenic COc1ccccc1-n1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c1 299827567 LCDQJPXLCKTYMS-UHFFFAOYSA-N 367.401 3.743 0 1 FHAF Clc1cnc(Br)c(-c2nc3ccc4ncccc4c3[nH]2)n1 587005240 DQKZRTKTFZNPNE-UHFFFAOYSA-N 360.602 3.984 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979529 ORPCOXKKWNCFRZ-LBPRGKRZSA-N 366.606 3.765 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc3ncnc(Cl)c3n1C)CC2=O 587463035 VCPOOCZKCXNCHY-INIZCTEOSA-N 371.824 3.986 0 1 FHAF CCc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 587236964 IONKGZXURPLWPI-UHFFFAOYSA-N 359.470 3.780 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(CC(=O)O)CC2)N1 587825272 CIZHFKDVGUJKBH-KCCQOBMMSA-N 370.262 3.983 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C)C(=O)O)(c1cccc(F)c1)O2 587386407 XWOVFBLFSCNOQH-FKIZINRSSA-N 357.381 3.688 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(C)cc(C)c21 587478567 AYOQLUGJJDWDFW-OAQYLSRUSA-N 351.402 3.774 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1O 587870437 IHSIAFMDLFDOOY-UHFFFAOYSA-N 356.353 3.513 0 1 FHAF COC(=O)c1occc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587828583 OJKGLPFTFVAEET-XLKFXECMSA-N 368.202 3.591 0 1 FHAF C[C@@]1(c2cc3c(cc2N)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587510358 KJUZGAAYJSIBGI-QFIPXVFZSA-N 365.429 3.799 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2N[C@H]1C 587482771 JHJVWWJZKUMYFM-LAJNKCICSA-N 351.402 3.746 0 1 FHAF C[C@H](O)c1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615012 UUELCYGFMAHZMD-RNCGHPTOSA-N 369.398 3.605 0 1 FHAF O=c1ccc2cc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)ccc2o1 586918321 PHXRTMKJORVZMU-UHFFFAOYSA-N 366.686 3.799 0 1 FHAF CCOC(=O)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587344001 BCZLXWPLSNUOCM-QZIMMCEPSA-N 370.376 3.602 0 1 FHAF COC[C@H](C)[C@@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955526 LCPPRSSYVBDSHL-SUMWQHHRSA-N 357.416 3.855 0 1 FHAF N=C(N)c1ccc(Oc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1 5974170 CYEDCBBFAKUDNG-UHFFFAOYSA-N 370.416 3.590 0 1 FHAF in-vitro CCC(=O)NCCc1c(Br)[nH]c2ccc(Br)cc12 13494143 PDYVAQONPQTQIR-UHFFFAOYSA-N 374.076 3.762 0 1 FHAF C[C@@H](c1ccc(-c2cc(F)ccc2F)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948234 JBGVMLJCAXSEIW-UVIMBBFXSA-N 362.395 3.633 0 1 FHAF CCCCNC(=O)[C@H]1CCCN1C(=O)Nc1cc(Cl)cc(Cl)c1 201447699 LDYBKBUJEBZLMJ-CQSZACIVSA-N 358.269 3.906 0 3 FHAF CC(C)[C@H](CO)NCc1nc(-c2ccc(OC(F)(F)F)cc2)ccc1F 204425370 CLUUNAPXTBAMPW-KRWDZBQOSA-N 372.362 3.893 0 1 FHAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3cccc(Cl)c3)CC2)c1 1857751272 ZDMQMJDTXSERJC-UHFFFAOYSA-N 374.941 3.866 0 1 FHAF COc1cc(C(=O)c2nnc(-c3ccc(C)cc3)s2)cc(OC)c1OC 1857769580 RTEXGSNDQYJOJS-UHFFFAOYSA-N 370.430 3.770 0 1 FHAF CCO/C(O)=C1\C(C)=Nc2nc(SCC)nc(O)c2[C@@H]1c1ccncc1 101930499 CKBGMJWDAHMTEJ-LVLBFHFTSA-N 372.450 3.733 0 1 FHAF CCOC1(OCC)[C@@H]2c3ccc(OC)cc3[C@@H]([n+]3ccccc32)C1(C)C 27517816 NVFLNAMHCOOEHX-WOJBJXKFSA-N 354.470 3.827 0 1 FHAF CCCCCC(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccccc3[nH]2)C1 2356613187 CCCQPSWDXUUAAQ-CVEARBPZSA-N 371.481 3.625 0 1 FHAF CCOC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)c2ccccn2)C=C1C 2356698871 RGDZDCVZTZTQID-RCCFBDPRSA-N 358.482 3.619 0 1 FHAF O=C(NCCC(F)(F)F)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61927073 PJKSUBCDMLEOAQ-AWEZNQCLSA-N 370.758 3.774 0 3 FHAF C[S@@](=N)(=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 219600537 NUOHTNYHORIQRD-AREMUKBSSA-N 370.434 3.588 0 1 FHAF CC1(C)CCc2c(O)cc3c(c2O1)[C@@H]1Oc2cc4c(cc2[C@H]1CO3)OCO4 13378613 BNJPLSYAABGQMS-CWTRNNRKSA-N 368.385 3.834 0 1 FHAF biogenic CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1 72116666 XHRYSFFNMRUMRJ-OAQYLSRUSA-N 369.509 3.755 0 1 FHAF O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1C(=O)O 84653071 NMKNKSDCPFAGPJ-UHFFFAOYSA-N 374.396 3.818 0 1 FHAF Cc1cccc(CNc2nc(N3CCC(N4CCCC4)CC3)ncc2C)c1 82203556 NVTUYQBAQMQNCE-UHFFFAOYSA-N 365.525 3.770 0 1 FHAF CN(C)C(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 261130114 KZGZRFUHUPKRGX-CDXKPPKLSA-N 365.304 3.948 0 1 FHAF CCn1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587763554 KALXVPDXZIPQJJ-QFYYESIMSA-N 352.251 3.602 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)c3ccccc32)N1 587819181 HFZHLSJXDHYMPB-YPMLDQLKSA-N 360.226 3.952 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C3CC3)CC2)N1 587766279 GJHGYOOIZVGFCC-LLVKDONJSA-N 353.279 3.576 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CCC(=O)OC(C)(C)C 587868655 OANNXMWAKULMGE-UHFFFAOYSA-N 371.359 3.704 0 1 FHAF Cc1c(-c2nc3c(O)c(Br)ccc3[nH]2)oc2c1[C@H](O)CCC2 586904982 FOEWHPPMIYMWJL-SNVBAGLBSA-N 363.211 3.969 0 1 FHAF CC(=O)OC1=C(C)[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587806426 ASPPHOFLADRZMV-XLFHBGCDSA-N 368.246 3.949 0 1 FHAF Nc1cc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2cc1N 587163760 SNAQHCQBZGKCAY-UHFFFAOYSA-N 361.380 3.786 0 1 FHAF Cc1nc2[nH]c(C[C@H]3CCc4occc4C3=O)nc2cc1Br 586909302 YBCIEZVHQCLUKW-SECBINFHSA-N 360.211 3.610 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3OC(C)(C)O[C@H]32)N1 587837908 LIFRRHVLWLLIRE-BRKJHEKRSA-N 370.262 3.632 0 1 FHAF Cc1ccc(F)c(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587276889 WYSQDNGIIJPTJZ-UHFFFAOYSA-N 364.170 3.761 0 1 FHAF Cn1cccc1CN1CCc2sccc2C12CCN(CC1CC1)CC2 962395794 DWOKNPUFTHAJIF-UHFFFAOYSA-N 355.551 3.846 0 1 FHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cc(C(=O)OCC)n(C)n1 963226927 ITNJMOTXVHKFEN-BTYIYWSLSA-N 355.482 3.517 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCc3cc(C(=O)O)ccc31)N(C(C)C)CC2 962092247 NGFSIAYSKREIDK-QFIPXVFZSA-N 351.446 3.850 0 1 FHAF O=C(Nc1ccccc1N1CCOCC1)c1cccc(-c2ccccn2)c1 1772657795 IDRSIECSFBERRJ-UHFFFAOYSA-N 359.429 3.838 0 1 FHAF Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1 13473221 QAMANTJYKWSLNP-UHFFFAOYSA-N 360.442 3.941 0 1 FHAF COc1c(O)c(C(C)=O)c(OCc2cccc(C(=O)O)c2)c2ccoc12 13682287 NUQNGPOVZFAVSZ-UHFFFAOYSA-N 356.330 3.627 0 1 FHAF C1=N[C@H]2[C@H](N=NN2Cc2ccccc2)C(Sc2nc3ccccc3o2)=N1 1857750036 TTZAXHQGXJNBKA-JKSUJKDBSA-N 362.418 3.938 0 1 FHAF CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2 3042081 BSWINXSJBMTPNK-UHFFFAOYSA-N 358.438 3.604 0 1 FHAF Cc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C 3834094 CMOQWRCLKYBEOS-UHFFFAOYSA-N 350.426 3.502 0 1 FHAF CN1CC[C@@]2(Cc3ccncc3)c3ccccc3N(Cc3ccncc3)[C@@H]12 58556665 NQWMDCHHKKVXGW-DHIUTWEWSA-N 356.473 3.639 0 1 FHAF C[C@H]1CCCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)C1 104190388 KGDVXSMYYHIJBO-SSKFGXFMSA-N 374.484 3.782 0 1 FHAF C[C@@]1(C(=O)Nc2ccccc2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61928756 MNSXYROMGJOPAZ-QFIPXVFZSA-N 374.396 3.810 0 3 FHAF COc1ccc([C@H](N)c2csc(Nc3nncc4ccccc34)n2)cc1 61903129 VILBMNBTIJGLEL-KRWDZBQOSA-N 363.446 3.887 0 3 FHAF Clc1ccc(CN(CCn2ccnc2)CCn2ccnc2)cc1Cl 64499111 WBUYYBTYXIKIBP-UHFFFAOYSA-N 364.280 3.589 0 1 FHAF COc1ccc(-c2oc3cc(OC)c(C)c(C)c3c(=O)c2OC)cc1O 26393126 LLVCRSBQIQJLAZ-UHFFFAOYSA-N 356.374 3.808 0 1 FHAF C[C@@H]1[C@H](c2ccc3c(c2)OCO3)O[C@H](c2cc3c(cc2O)OCO3)[C@@H]1C 2356557706 YDYDLBZCPHFYFA-ZWPOXEQUSA-N 356.374 3.934 0 1 FHAF CC1(C)c2ccccc2N2CC(=O)N[C@]21C=Cc1ccc2ncccc2c1 2356742238 DOGZCOKBQKEFJB-HSZRJFAPSA-N 355.441 3.872 0 1 FHAF COCCCNc1nccc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc12 74386655 WONYHTUTTBNSBZ-UHFFFAOYSA-N 366.343 3.972 0 1 FHAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N2CCCCC2)c1 82146540 VHZGJQTZNNXSOA-UHFFFAOYSA-N 350.466 3.678 0 1 FHAF C[C@@]1(/C=C/C(=O)O)CC[C@@H]2[C@@]3(C)CCC[C@@]4(C)C(=O)O[C@@H](C[C@@]2(C)O1)[C@H]34 140549395 KBJSYEBTIXTTDP-OJCOZPHBSA-N 362.466 3.713 0 1 FHAF O=C(Nc1cccnc1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 147980621 JZCPUVUMEQFTQJ-UHFFFAOYSA-N 354.373 3.754 0 1 FHAF CN(C)CCCN1CC[C@@]2(c3ccccc3)C[C@H]1Cc1ccc(O)cc12 299847073 TUIPFMKVQPXPPK-OFNKIYASSA-N 350.506 3.651 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C(C)(C)C)n[nH]1 587872646 PMEOCKMAVUTSGF-UHFFFAOYSA-N 356.401 3.797 0 1 FHAF CC[C@]1(c2cncn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345244 YYRQUVSYUNGJMH-PZJWPPBQSA-N 366.392 3.929 0 1 FHAF COc1cc2c3c(c1)O[C@H](CCc1cccc(C(C)=O)c1F)[C@@H](C2)C3=O 587427829 WBRXKUYZYGTHKA-IAGOWNOFSA-N 354.377 3.786 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C3CC3)nc2)N1 587775275 QIILXGCVSQACFR-JDNHERCYSA-N 362.246 3.879 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587446889 HNDXGLKPBMJILY-KKSFZXQISA-N 352.386 3.593 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CN)(c1ccc([C@H](C)OC)cc1)CC2=O 587473125 QEILMFXMZLSPJP-FPTDNZKUSA-N 369.461 3.872 0 1 FHAF COC(=O)c1ccc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2n1 587938565 XKMCKEGOWBVGGE-LJQANCHMSA-N 373.412 3.933 0 1 FHAF Cc1nn(Cc2nc3cc(Cl)cc(F)c3[nH]2)c(C)c1Br 586979071 PWKAVZKEHFMSLX-UHFFFAOYSA-N 357.614 3.980 0 1 FHAF CCOc1ccc2c(c1)[C@]1(CCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450004 CMYPGTOWMHYQCP-IERDGZPVSA-N 352.386 3.519 0 1 FHAF O=C(c1ccsc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662173 WIZFSTYDEIBHNS-UHFFFAOYSA-N 350.374 3.953 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCn3c(O)nc4cccc1c43)CC2=O 587489559 MPOLLNXDJUXVGI-OAQYLSRUSA-N 364.401 3.664 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCN3CCC[C@@H]3C2)[C@H]1c1ccc(F)cc1 587348978 STKHYTNCFQPKHA-BUVFEPMLSA-N 367.420 3.887 0 1 FHAF COC(=O)c1ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2n1 587241722 GYQCUSUYCYXBAI-UHFFFAOYSA-N 366.421 3.786 0 1 FHAF Nc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508026 FHJBVJFPOBCGRH-QFIPXVFZSA-N 365.429 3.873 0 1 FHAF O=C1CC2(CCN(Cc3ccccn3)CC2)Oc2c1ccc1c2CCCC1 587513666 KQYNDAYMSQRONF-UHFFFAOYSA-N 362.473 3.960 0 1 FHAF Cc1cnc(Cl)c2[nH]c([C@H](O)c3ccc(Br)cc3)nc12 586996164 AQJHSEJAFNRTRH-GFCCVEGCSA-N 352.619 3.764 0 1 FHAF CC[C@H](CCC(=O)OC)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596382 VIHCSMMOPUHCTK-LZHZSBQWSA-N 370.401 3.702 0 1 FHAF Cc1c(-c2nc3ccnc(Cl)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073440 IRTYLCSWKXYUEW-UHFFFAOYSA-N 359.220 3.880 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1O[C@H](C)C(=O)O)CC2=O 587487555 WDHVNCOXIXDNKV-CWTRNNRKSA-N 370.401 3.903 0 1 FHAF COc1cc2cc([C@H]3NCCc4c(C)ccnc43)c(Cl)nc2cc1OC 963082702 BNGTVFXWJKZDMF-LJQANCHMSA-N 369.852 3.844 0 1 FHAF CCn1cncc1-c1c[nH]c2ccc(I)c(F)c12 1857553149 KBQLQDPQEMFGCB-UHFFFAOYSA-N 355.154 3.795 0 1 FHAF CCNc1nc(NCCc2ccc(OC)c(OC)c2)c2ccccc2n1 1772627599 BSQRZHCDRKROCR-UHFFFAOYSA-N 352.438 3.733 0 1 FHAF CNC(=O)C(=O)CCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1 13553328 SNPDNMKRKKGKNE-UHFFFAOYSA-N 366.461 3.948 0 1 FHAF Nc1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1 222107678 RUPSBOPSOUVELY-UHFFFAOYSA-N 352.401 3.672 0 1 FHAF CCN(CCCCCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Cc1ccccc1 100732263 PFRKWGPEPSNREK-PMACEKPBSA-N 356.510 3.854 0 1 FHAF NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(F)c3)c[nH]1)C(=O)N2 28708324 GSANTMGDHXCBLR-MFOYZWKCSA-N 362.364 3.804 0 1 FHAF CN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1ccc(Br)cc1 28257794 VZKMKYLRWSMHRB-DOTOQJQBSA-N 351.288 3.586 0 1 FHAF CC(C)c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N 27875380 SHAITPXLENPSBS-UHFFFAOYSA-N 362.412 3.781 0 1 FHAF COc1ccc(-c2csc([C@](C)(NC(C)=O)c3ccccc3)n2)cn1 61926638 MATRJGJJODUCDC-LJQANCHMSA-N 353.447 3.613 0 3 FHAF CC(C)c1c(O)c2c(c3c1OCO3)C[C@]1(O)CCCC(C)(C)[C@@H]1CC2=O 14758674 DTBDZSSMCMSRSI-LHSJRXKWSA-N 360.450 3.931 0 1 FHAF biogenic COc1ccc(CCc2nnc(-c3ccc4[nH]cnc4c3)s2)cc1OC 72317051 ZOUIFXFPCBTXDS-UHFFFAOYSA-N 366.446 3.884 0 1 FHAF CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(C)cc2)o1)C1CCCCC1 45315615 MHKCJBOSTYYRLA-IBGZPJMESA-N 354.450 3.680 0 1 FHAF O=C(OCc1ccccc1)c1coc(-c2ccc(Br)nc2)n1 49784114 PJHJTPYYPUCGLH-UHFFFAOYSA-N 359.179 3.856 0 1 FHAF CCCCC[C@@H](O)c1nnc(Nc2cc(OC)c(OC)c(OC)c2)s1 82082915 HFPWRJWICMLJKF-GFCCVEGCSA-N 367.471 3.921 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(SC)cc2)C[C@@H]2CC[C@H]1N2CCCF 45290735 GBDCEJWZYYZILX-HPBDAGMYSA-N 351.487 3.878 0 1 FHAF O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccoc1 140826564 UVJLXGAMQRKKED-UHFFFAOYSA-N 370.372 3.860 0 1 FHAF O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CCCO1)c1ccc2ccccc2c1 299821137 VONACKKTKYGFTQ-CIAFKFPVSA-N 364.489 3.744 0 1 FHAF COc1ccc([C@H](CC(=O)N[C@H]2CC[C@H](O)CC2)c2ccccc2)cc1 299872938 OKJMWXGXFCVIRY-SFHLNBCPSA-N 353.462 3.637 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 586950588 JOOZLCBEQVBQCR-UHFFFAOYSA-N 355.341 3.620 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(OCC)ccc21 587482842 JTLJUZJYYBMLBN-OAQYLSRUSA-N 367.401 3.556 0 1 FHAF N=c1[nH]c(-c2cccc(-c3nc4cc(Br)ncc4[nH]3)c2)cs1 587021032 GVKUGLXKEQDVPA-UHFFFAOYSA-N 372.251 3.923 0 1 FHAF Cn1ncc2c1CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987841 SGURAISCILWQBH-UHFFFAOYSA-N 353.381 3.651 0 1 FHAF Cc1cccc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591410 CLLVLGXJJADGCG-HTAPYJJXSA-N 373.364 3.510 0 1 FHAF c1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1CN1CCOCC1 586887798 IASKSJZNYDEFIT-AYMMHLMVSA-N 351.494 3.863 0 1 FHAF O=C(O)Cc1ccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587961240 KQZKBTUOGRJSEK-UHFFFAOYSA-N 352.287 3.939 0 1 FHAF Nc1cccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512146 USHFKBPGFQZPNV-QFIPXVFZSA-N 365.429 3.873 0 1 FHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 587786455 QQPJQIZLZZOQDC-NWDGAFQWSA-N 361.323 3.920 0 1 FHAF O=C(Cc1ccccc1)NCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587228896 SZZUJQCXIUUCEE-UHFFFAOYSA-N 365.330 3.622 0 1 FHAF CSc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)OCCO2 587408901 FEBUYQMDTGDJDK-HNNXBMFYSA-N 357.431 3.777 0 1 FHAF Fc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)nc1Br 587155773 RRMGAZZJRXMLNK-UHFFFAOYSA-N 364.174 3.688 0 1 FHAF Cc1c(Cl)ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 586952211 DTOVZSDKNIQLFC-UHFFFAOYSA-N 355.891 3.523 0 1 FHAF Cc1cc(C)n(C[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587765301 SIWWSUSZMAFEGJ-FVMDXXJSSA-N 352.251 3.677 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(N)cccc32)N1 587746387 MUMNEFXEWCEGSY-YPMLDQLKSA-N 361.258 3.894 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)cc1C(=O)O)CC2=O 587479039 MAHLXCLEJDHALA-SFHVURJKSA-N 356.374 3.758 0 1 FHAF COC(=O)C[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587809433 RJFUELASYVIQLF-ZMNCSTGQSA-N 370.262 3.681 0 1 FHAF C[C@@]1(c2cc(O)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580585 SHZHQTQIJNDAJU-NQIIRXRSSA-N 363.369 3.557 0 1 FHAF C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587516230 AVJNCXLTPVXLTH-QSAZIKIQSA-N 369.505 3.790 0 1 FHAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587589598 VWMFSTSLAVAAIU-NQIIRXRSSA-N 363.369 3.673 0 1 FHAF CC1=C(c2ccc3nc(C(C)(C)c4ccccc4C)[nH]c3c2)NNC(=O)C1 587954719 DQNQRABRUPLMKO-UHFFFAOYSA-N 360.461 3.953 0 1 FHAF CC(=O)Oc1ccc(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403985 SIDDYUIQBFINFT-OAQYLSRUSA-N 353.418 3.859 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(N3CCCCC3)nc1C)O2 587398031 DKTKUCZQTDEQIE-NRFANRHFSA-N 366.465 3.547 0 1 FHAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1ccncc1 1772628175 MLIREKNKUDEKID-VOTSOKGWSA-N 368.440 3.997 0 1 FHAF Cc1cc(=O)oc2c3c(ccc12)O[C@H](c1cc(F)c(F)cc1F)[C@H](N)C3 1772655830 MXZDPLKXVPVWMV-DNVCBOLYSA-N 361.319 3.522 0 1 FHAF CNC(=O)c1cc(Oc2ccc3c(C)c(C(=O)OC)sc3c2)ccn1 1772580465 JJXRNCUOZDMGFR-UHFFFAOYSA-N 356.403 3.543 0 1 FHAF COc1ccc(Br)cc1CNCc1sc(C(=O)O)cc1C 6854911 GOIIGHBLUUBHSA-UHFFFAOYSA-N 370.268 3.816 0 1 FHAF CC(C)(C(=O)O)[C@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]1(C)CC(=O)O)[C@@]1(C)O[C@H]31 104373509 QGTMYAPGXJWNQR-PNXWNMRFSA-N 350.455 3.562 0 1 FHAF in-man Oc1cc2c(cc1OCCCN1CCN(c3ccc(F)cc3)CC1)CCC2 26569829 TZVDQECYUSHGEB-UHFFFAOYSA-N 370.468 3.611 0 1 FHAF O=c1cc(-c2ccc(-c3ccc(O)cc3)cc2)sc(N2CCOCC2)c1 101390401 IEBIZPQQVGBBOS-UHFFFAOYSA-N 365.454 3.985 0 1 FHAF OC1=NCN(C2CC2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 28564055 AOGBPYZNCZHLNO-PMACEKPBSA-N 353.510 3.939 0 1 FHAF CC(C)CN[C@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2NC1(C)C 28121249 NQLUOSOVMGIYIQ-FQEVSTJZSA-N 354.450 3.778 0 1 FHAF CCCCCCN1C(=O)[C@@](O)(c2ccc3c(c2)OCO3)c2ccccc21 71331119 ROAYQAUKQQECRN-OAQYLSRUSA-N 353.418 3.578 0 1 FHAF COc1c(O)c2c(c(O)c1C(C)C)[C@](O)(C=O)[C@H]1C(C)(C)CCC[C@]21C 14719610 SXTOFVDFNJJCGK-CEWLAPEOSA-N 362.466 3.714 0 1 FHAF biogenic c1ccc(Nc2ccc(Oc3nccnc3NC3CCOCC3)cc2)nc1 139196320 XJXVLWGMXTXAKQ-UHFFFAOYSA-N 363.421 3.998 0 1 FHAF Fc1cccc([C@@H](Cc2ccccc2OC(F)F)N2CCNCC2)c1 49035329 BGJYOLBNUMRPNE-QGZVFWFLSA-N 350.384 3.616 0 1 FHAF in-vitro O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(O)(c2ccccc2)CC1 45391484 XUAKWCDLTAPLGQ-UHFFFAOYSA-N 354.494 3.504 0 1 FHAF COC(=O)C1=CC=C[C@@H]2[C@@](C)(CCC3=C[C@@H](OC)OC3=O)[C@H](C)CC[C@@]12C 238764462 HVIZCRZXNRVXKY-JPPGZHGXSA-N 374.477 3.950 0 1 FHAF Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCC/C=C\c2cccc(F)c2)c1 95921094 GPCIKCOFIVHWEN-MCVOONKLSA-N 369.484 3.752 0 1 FHAF in-vitro [C-]#[N+]c1c(C)ccnc1Oc1ccc(-c2c(C)c(O)nc(=O)n2C)c(C)c1 261084910 CJJUEDMNCLOEGP-UHFFFAOYSA-N 362.389 3.816 0 1 FHAF CCOC(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 299870330 SRWMNPAYNHYCEU-DHOHVAIUSA-N 356.462 3.997 0 1 FHAF in-vivo CCN(CC)CCNc1[nH]cnc2c3cc(Br)ccc3nc1-2 299866897 WVUNSSYYTFGBDO-UHFFFAOYSA-N 362.275 3.579 0 1 FHAF O=C(CSc1nc(-c2ccc(O)cc2)n[nH]1)Nc1ccccc1Cl 653816984 LWMGYPVYPNJOGX-UHFFFAOYSA-N 360.826 3.562 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cccnc2[nH]1 587592894 ZALRIPCUSHKRFH-YLJYHZDGSA-N 358.353 3.971 0 1 FHAF Clc1ccc(I)cc1-c1nc2cnccc2[nH]1 587182481 HATKATXBODVSDL-UHFFFAOYSA-N 355.566 3.883 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(Cl)cc21 587462601 PNEWUFPLSDYTRS-LJQANCHMSA-N 357.793 3.811 0 1 FHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587052647 FUCLFICTVURYAS-SECBINFHSA-N 357.628 3.866 0 1 FHAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cl)c1ccccc12 587499759 MTPJZOMSGHWIDS-FQEVSTJZSA-N 353.805 3.927 0 1 FHAF CCOC(=O)[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798617 PNJFEXHPDRFYLF-QLJPJBMISA-N 358.251 3.537 0 1 FHAF COC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346979 CZUTVTFGCUKRLS-AZUAARDMSA-N 358.365 3.602 0 1 FHAF CCOC(=O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526743 ZROJYGCBFASROM-JOCHJYFZSA-N 350.414 3.989 0 1 FHAF COc1cc2c3c(c1)O[C@](COC(C)=O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587418443 BDHMHXZGDHPUJW-OXJNMPFZSA-N 372.804 3.555 0 1 FHAF CCOC(=O)Cc1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587035437 QEWNZRXWAAHLMA-INIZCTEOSA-N 356.447 3.587 0 1 FHAF C[C@H](O)c1ncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)s1 587022249 PENGTZVZOHVUAQ-BYPYZUCNSA-N 359.636 3.551 0 1 FHAF CC[C@]1(c2ccc(OC)cc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444191 SQVSGVMAUOENDI-IIBYNOLFSA-N 354.402 3.765 0 1 FHAF Cc1n[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587802117 JZCVCOKEGQPPFF-VPTHRUTESA-N 352.251 3.726 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCC21CCOCC1 587606158 BURJYPMOAULMSP-DYESRHJHSA-N 352.386 3.683 0 1 FHAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587162751 LHKUQICYQQVDHS-MSOLQXFVSA-N 351.425 3.805 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccnc(Cl)c2[nH]1 587041507 CQSBNYMDXWHBQF-NSHDSACASA-N 365.245 3.920 0 1 FHAF C[C@]1(c2ccnnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348782 SGXMFBLFKHQQHW-AZUAARDMSA-N 350.349 3.596 0 1 FHAF COc1ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2n1 587198795 PNPDSNGLOLQQGA-KRWDZBQOSA-N 368.437 3.932 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]41)[C@@H]2[C@@H]53 587602261 HGCIWKZDORRHBM-RNQZUAJMSA-N 372.420 3.870 0 1 FHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(F)c(F)c3[nH]2)cc1 587245676 WZRGHCRALUJKBU-UHFFFAOYSA-N 368.343 3.981 0 1 FHAF Cn1c(O)c(C2=Nc3ccccc3C2=O)c2ccc(Br)cc21 13559453 VGTQMXSILOTJTL-UHFFFAOYSA-N 355.191 3.964 0 1 FHAF Cc1cc(N(C)C(=O)C(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 13602410 YOOQKVDPTADYCJ-UHFFFAOYSA-N 357.406 3.972 0 1 FHAF Cc1cc(COc2ccc(-c3ccc4c(C)cc(=N)[nH]c4c3)cc2CN)no1 1857567969 HOQPHJZRSVCLCE-UHFFFAOYSA-N 374.444 3.957 0 1 FHAF Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Nc4ccco4)cc32)cc1 1857585468 SUONQOFQAYZCSW-NRFANRHFSA-N 362.385 3.744 0 1 FHAF Cc1ccccc1-c1ccc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1 4092868 XENRKJTZYKRBEM-UHFFFAOYSA-N 374.444 3.668 0 3 FHAF COc1ccc(NC(=O)Oc2cc(C)c3ccc(=O)cc-3o2)c(OC)c1 6484752 VJUZWCJZHOFPPL-UHFFFAOYSA-N 355.346 3.681 0 1 FHAF COc1cccc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccncc3)cc2)c1 100106579 BXQGYQTZNOPOAJ-UBRQYEGLSA-N 371.484 3.697 0 1 FHAF NC[C@H]1CC[C@H](Nc2cncc(-c3ccc4oc(C(=O)O)cc4c3)n2)CC1 101419194 GQGBNSOWWUUWLC-JNSHFYNHSA-N 366.421 3.517 0 1 FHAF Clc1ccc(-c2cc(-c3ccncc3)nc(N3CCOCC3)n2)cc1 28338227 WQTSPZYCTKJQOJ-UHFFFAOYSA-N 352.825 3.696 0 1 FHAF COCCOc1ccc2/c(=N/O)cc(-c3cc4ccccc4cn3)oc2c1 117371540 HAUHCOWYHOWKQO-PTGBLXJZSA-N 362.385 3.963 0 1 FHAF Cc1cc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)cc(C)n1 26570204 QMORXMWLEPYEGI-UHFFFAOYSA-N 352.365 3.853 0 1 FHAF O=C1CC[C@@H](C(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 27098489 LBNMGVBLWQLDMO-NRFANRHFSA-N 355.437 3.869 0 1 FHAF c1cc2c(cc1[C@H]1OC[C@H]3[C@H](c4ccc5c(c4)COC5)OC[C@H]13)COC2 2356507124 XCVUGMGVUGLJDA-ZDNVTZCJSA-N 350.414 3.822 0 1 FHAF Cc1cc(NC(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)c(C)[nH]1 27320635 PMVHGBYQXRZQHW-UHFFFAOYSA-N 350.444 3.996 0 1 FHAF OCCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3c(Cl)cccc32)CC1 22937786 ADWYWJGQPNBBNY-ICSRJNTNSA-N 374.887 3.666 0 1 FHAF Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)nc2)n1 38157800 AZBMSTQSHHAVDB-UHFFFAOYSA-N 367.405 3.911 0 1 FHAF Cc1ccc(CN2CCN(C(=O)/C=C/c3c(F)cccc3F)CC2)cc1C 43012761 KPJDUKAQZGBPAV-CMDGGOBGSA-N 370.443 3.939 0 1 FHAF CCO[C@H](Cc1cccc(C2=NO[C@@H](CCc3ccccc3)C2)c1)C(=O)O 40952276 HAMXNMHJIWXEJM-PZJWPPBQSA-N 367.445 3.845 0 1 FHAF CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccccc1 84703583 MZULLCBKLHDMEM-UHFFFAOYSA-N 367.478 3.641 0 1 FHAF C[C@@H]1CCCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)C1 230073712 DATXYHWLIOTALJ-CCKFTAQKSA-N 368.502 3.917 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc3ncnn3c1C)CC2=O 587497491 CLSAQWHOTNQJLY-GOSISDBHSA-N 357.435 3.638 0 1 FHAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)F)n1 587558970 YTTKEDZCKUXXAL-KBXCAEBGSA-N 372.327 3.766 0 1 FHAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587773738 RSYOFQRXISTMJY-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF CCn1ncc(-c2[nH]c3ccc(F)c(Cl)c3c2N2CCOCC2)c1C 587632314 UGGCNGZQUPHQCC-UHFFFAOYSA-N 362.836 3.989 0 1 FHAF Brc1cncc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587036903 PFMMJYDVHKUPJI-NSHDSACASA-N 350.241 3.638 0 1 FHAF COC(=O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 587077977 ZVKDWURGOMUKPC-INIZCTEOSA-N 370.840 3.735 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(O)ccc12 587608571 LRNBVMYJVSVZIM-KNQAVFIVSA-N 360.365 3.901 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)ccc1N)O2 587376498 IXUVIKWCXMOCNG-KRWDZBQOSA-N 361.239 3.803 0 1 FHAF Nc1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1C(=O)O 587248092 CNQAFEGWGKPJSN-UHFFFAOYSA-N 368.137 3.551 0 1 FHAF CN(C)c1ccncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574318 XAIFQDIAGFOAPI-GHTZIAJQSA-N 362.385 3.556 0 1 FHAF CCOc1cc(CC[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O 587442190 OXRXGTPIZQPNJY-OPAMFIHVSA-N 368.429 3.938 0 1 FHAF N=c1[nH]c2c(s1)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586994110 UVGUJDBMEHJSOC-UHFFFAOYSA-N 371.421 3.786 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1O 587573449 WPEIZFIVKKGANN-YLJYHZDGSA-N 352.317 3.940 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(C)(C)C)(C(=O)O)N1 587825833 FQJPKHAYHGMOTK-FVMDXXJSSA-N 358.251 3.839 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn3c(Br)cnc13)O2 587372529 MEFIQKCFJSHJHD-AWEZNQCLSA-N 372.222 3.694 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 587042207 JOUOKCSZBMYXKW-MRVPVSSYSA-N 359.282 3.885 0 1 FHAF Cc1nc(-c2ccc(F)cc2)sc1-c1ccc2c(O)nc(O)nc2n1 587368923 BJRXBHNITRNPMG-UHFFFAOYSA-N 354.366 3.674 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2ccccc2[C@H]1C(=O)OC 587480813 PJTCNVNLKRLFON-UGKGYDQZSA-N 366.413 3.562 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(O)c2)N1 587836075 ZKXOEUFUWQNNBO-BCTVWOGZSA-N 352.203 3.623 0 1 FHAF COc1ccc2c(c1OC)[C@@](C)(c1cccc3ncoc13)N(C)[C@@H](C)C2 962629789 PYYQLQNRBHCVKG-YEJXKQKISA-N 352.434 3.985 0 1 FHAF CCOC(=O)c1ccc([C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)cn1 963098041 FWWXBLPILCIKAV-IERDGZPVSA-N 354.425 3.681 0 1 FHAF CC(C)=CC[C@H]1C(=O)c2ccccc2[C@]2(NCCc3c(C)ccnc32)C1=O 963071063 JJMHCFKUBLICIG-FDDCHVKYSA-N 360.457 3.517 0 1 FHAF Cc1cc(C)n(C[C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)n1 962648874 XDBYLPQPZOUWCF-VWNXMTODSA-N 372.516 3.988 0 1 FHAF CCc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)[nH]1 963175728 HIVCGTPTZWIODB-GJZGRUSLSA-N 372.774 3.938 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962627439 PIMUEHFPMYLNFQ-FPTDNZKUSA-N 369.461 3.615 0 1 FHAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(C[C@@H]3C=CC[C@@H]32)N1 963173463 LMDHRWZCJRERAX-JBGYRMIQSA-N 357.759 3.749 0 1 FHAF COc1cc(-n2c(O)c3c(c2O)[C@@]2(C)CC[C@]3(C)O2)ccc1-c1cnco1 169727153 JHNPBNMMBIQXHB-BGYRXZFFSA-N 368.389 3.807 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=S)NCc4ccccc4)ncc23)ccn1 205434064 ROUCQGJYRLXJDP-UHFFFAOYSA-N 374.473 3.815 0 1 FHAF CC[C@@H](c1ccc2ncccc2c1F)n1cnc2ncc(-c3cn[nH]c3)nc21 1857583029 OQCIKEHPSDIVRC-KRWDZBQOSA-N 373.395 3.903 0 1 FHAF COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3ccncc3)cs2)cc1 61904974 NGCHVOAXIUFQEI-LJQANCHMSA-N 353.447 3.613 0 3 FHAF C[C@@H](C(=O)N1CCOCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27559084 FUWLJSGPXZGUDM-DJIMGWMZSA-N 373.518 3.744 0 1 FHAF CC(C)=CCOc1ccc([C@H](O)CNC(=O)C=Cc2ccccc2)cc1 2356452713 AQBWTILJYRVPPH-OAQYLSRUSA-N 351.446 3.895 0 1 FHAF CN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1 38345633 PQQHOBXFKJXQAU-UHFFFAOYSA-N 372.877 3.774 0 1 FHAF CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1 36387766 GBRVFNRKIICDKJ-UHFFFAOYSA-N 368.824 3.588 0 3 FHAF COc1ccccc1CNC(=O)C(C)(C)n1cc(-c2ccccc2C)cn1 74387619 RBLBDJLDAPDIJF-UHFFFAOYSA-N 363.461 3.919 0 3 FHAF COc1ccccc1CNC[C@@H](O)Cn1c2c(c3ccccc31)CCCC2 73141511 RQXOMUHUWFYRKL-GOSISDBHSA-N 364.489 3.679 0 1 FHAF Cc1ccc(NC(=S)OC[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)cc1 40898276 GOARHISASXAHDT-AWEZNQCLSA-N 368.458 3.702 0 1 FHAF C=CC(=O)Nc1cc2ncnc(Nc3cccc(Br)c3)c2[nH]1 40915139 VIJNDICUWUNKHL-UHFFFAOYSA-N 358.199 3.589 0 1 FHAF COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](F)C2)cc1OC 145387922 ZXYWYJJXNBKBPI-KZNAEPCWSA-N 351.462 3.618 0 1 FHAF CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)cc1C 95556557 AHCIYSVQHQBDEF-UHFFFAOYSA-N 356.510 3.901 0 1 FHAF COc1cc(Cl)cc(CNCCCNC(=O)Nc2ccsc2)c1 95580635 FARFGOOSWAQYQX-UHFFFAOYSA-N 353.875 3.712 0 1 FHAF in-vitro Cc1cc(-c2ccnc3[nH]ncc23)cnc1OCC12CCC(O)(CC1)CC2 2382221931 LOAJWCCLCQRBIH-UHFFFAOYSA-N 364.449 3.792 0 1 FHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cncc(Cl)c4[nH]3)cc2N1 587126424 KAVMBKGZEOIIFV-QUBYGPBYSA-N 356.739 3.782 0 1 FHAF CC(C)Oc1cc2nc([C@H](O)C3CCOCC3)[nH]c2cc1Br 586913444 LAZWWADACQCINL-OAHLLOKOSA-N 369.259 3.573 0 1 FHAF O=S(=O)(O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586899106 TUSZWTKRBHOJDD-UHFFFAOYSA-N 366.398 3.849 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c(=S)n2C)N1 587846091 TVTWTCXSCGPLJT-RTHLEPHNSA-N 370.291 3.618 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)OCO3)N1 587835885 REPGCZRKPXUTIP-HUTHGQBESA-N 364.214 3.941 0 1 FHAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc(C(F)(F)F)c2[nH]1 586961141 FXFIKYUOLPOFBQ-ZCFIWIBFSA-N 355.345 3.513 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Cl)cnc2[nH]1 587042415 JJGAIKOYERGJML-GFCCVEGCSA-N 365.245 3.920 0 1 FHAF CC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)COCOC1 587356607 KKYFFCGSKCREES-NQIIRXRSSA-N 372.392 3.660 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CC2CCC2)c2ccccc21 587398080 DYEZRZXMUXIGQD-QFIPXVFZSA-N 362.429 3.585 0 1 FHAF C[C@@]1(c2c(N)cccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554525 DPGLPNQGHMITME-NQIIRXRSSA-N 365.360 3.991 0 1 FHAF Cc1nc(F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568625 HZCIKQYRBZQVCV-XLIONFOSSA-N 351.333 3.938 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)O)cs2)N1 587844441 AANAJAVUQOQLPZ-WJWGPLDTSA-N 370.243 3.972 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C=O)n(C)c2)N1 587752047 PSFVDXWGESRRNV-QGHHPUGFSA-N 365.246 3.537 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@]13CCN(C(=O)OC(C)(C)C)C3)O2 587400005 NDJPUMGUNCPZBP-RTWAWAEBSA-N 372.465 3.702 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccncc4)s1)[C@@H](C2)C3=O 587451159 IPPPONAQCNSUET-UGSOOPFHSA-N 350.399 3.702 0 1 FHAF COc1ccc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(O)nc2c1 587395052 NNQWERUCEWKJST-GOSISDBHSA-N 350.374 3.546 0 1 FHAF COC(=O)[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351985 NQPORCUSWRALBN-WIYYLYMNSA-N 372.392 3.848 0 1 FHAF Cc1ccc(-n2nnc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587390812 JHFGWUYZBIKEKL-NRFANRHFSA-N 362.433 3.655 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(F)cc3)nc1C)O2 587383956 IAIOLNHDHWYNET-IBGZPJMESA-N 351.381 3.917 0 1 FHAF Cc1cc(-c2nc3c(O)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124100 IHAAQWOGSODFDS-UHFFFAOYSA-N 371.340 3.505 0 1 FHAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587168811 NHBPPLOGNCSWQF-AWEZNQCLSA-N 354.429 3.594 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)cccc2F)N1 587718656 IXYUFRWADZOZEQ-ZKANADHPSA-N 353.210 3.933 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(O)c3)cc2)C[C@@H]2CC[C@@H]1N2C 169311826 TTXGYEDMFZIQNY-NRDMVMEKSA-N 351.446 3.799 0 1 FHAF CCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)c2cccnc12 2455839 JXONODCSPNETDE-UHFFFAOYSA-N 368.458 3.775 0 1 FHAF Cc1ccc(-n2c(CC(=O)c3cccnc3)nc3ccccc3c2=O)cc1 1848966 UVLJESLPMZWCJM-UHFFFAOYSA-N 355.397 3.515 0 1 FHAF O=C1N(C[C@@H](O)c2ccc(Cl)c(Cl)c2)CCN1c1ccccc1 26647490 CBOVDRCUBYQYBY-MRXNPFEDSA-N 351.233 3.969 0 1 FHAF COc1cccc(N[C@H](C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1 115722854 WXPURLUJNBIBDM-SNVBAGLBSA-N 367.434 3.620 0 1 FHAF CC1=C[C@H](C)[C@@H](C)O[C@@H]1CC(=O)c1c(O)ncc(-c2ccc(O)cc2)c1O 2356454961 BUBCXTSXJBEQKQ-WHWRDJHUSA-N 369.417 3.808 0 1 FHAF CC=Cc1ccc(O[C@@H](C)[C@@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 2356606781 DIEIEAKVQCTJFH-RNODOKPDSA-N 374.433 3.952 0 1 FHAF C[C@]1(COC(=O)CCC(=O)O)CCC[C@@]2(C)c3ccc(O)cc3CC[C@@H]12 2356629275 XYBRCNMVXPANFE-WMQCIHAUSA-N 360.450 3.811 0 1 FHAF C[C@H](O)CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 39409789 IWUPUFYAMCDDIO-ZAOYMGCJSA-N 372.459 3.540 0 1 FHAF C=C[C@]1(C)C[C@H](OC(C)=O)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O 14611497 KUBKXMIPSJEXGM-KQPAPBSUSA-N 362.510 3.913 0 1 FHAF biogenic CCCCC[C@H](O)c1nnc(Nc2cc(OC)c(OC)c(OC)c2)s1 82082913 HFPWRJWICMLJKF-LBPRGKRZSA-N 367.471 3.921 0 1 FHAF O=C(c1ccc(Cl)c(Cl)c1)[C@@H]1NS(=O)(=O)c2ccccc2S1 40872397 OVOQEXNDAKQWQS-CQSZACIVSA-N 374.270 3.586 0 1 FHAF CC(C)NC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1CC1CC1 95895481 XDDMILZTFRTENE-RBZQAINGSA-N 364.533 3.890 0 1 FHAF COc1c(CC=C(C)C)c(O)cc(O)c1[C@@H]1COc2cc(O)ccc2C1=O 238753282 WDCACCCXVAPXGB-HNNXBMFYSA-N 370.401 3.680 0 1 FHAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3C=Cc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 31912369 KWQSIDFPQBLAMV-OYWVLEMYSA-N 350.418 3.607 0 1 FHAF biogenic Cc1cn(-c2ccc(N3CCC(n4ccc5ccccc54)CC3)nn2)cn1 473179745 SLZJTFADTLJBQP-UHFFFAOYSA-N 358.449 3.767 0 1 FHAF O=S(=O)(c1cccc(F)c1)N1CCc2cc(-c3cccnc3)ccc21 299828347 QWRCBOXJYWTVIU-UHFFFAOYSA-N 354.406 3.639 0 1 FHAF O=C(Nc1cnc2cnc(-c3ccc4ccccc4c3)cn12)[C@H]1CCOC1 653678257 LFWMWCBZAFJOSG-KRWDZBQOSA-N 358.401 3.525 0 1 FHAF CCOC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@H]1c1cc(OC)cc(OC)c1 653822829 MXXMWNPXBMHKEO-ZACQAIPSSA-N 360.431 3.541 0 1 FHAF CCOC(=O)[C@@H](CC)Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1 653785017 UILFXRVULPWIAC-KRWDZBQOSA-N 357.425 3.888 0 1 FHAF COCC(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796694 UNMBLSVVRGPVDX-GTNSWQLSSA-N 372.278 3.579 0 1 FHAF O=S(=O)(/C=C\c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1 586924032 FKXYKDWWVOFXFG-SREVYHEPSA-N 356.300 3.564 0 1 FHAF N=c1cc[nH]cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587249113 HCWKCBSAZWRBMO-UHFFFAOYSA-N 373.132 3.699 0 1 FHAF C[C@]1(c2nccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554978 ZAGHLAYLBXPJSG-LIRRHRJNSA-N 368.776 3.713 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1CCCN1C(=O)OC(C)(C)C)O2 587397305 ZOSYWFWXEUMZIC-OXJNMPFZSA-N 360.454 3.701 0 1 FHAF CCOc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587527684 VHYFXWFKVZGDST-QFIPXVFZSA-N 363.413 3.777 0 1 FHAF CCOC(=O)[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800243 WGXLRZSYWRJJAR-QFYYESIMSA-N 358.251 3.537 0 1 FHAF COc1cc2c3c(c1)OC(c1ccccc1O)(c1ccccc1O)[C@@H](C2)C3=O 587448308 CLLOEZAZMVYEGS-KRWDZBQOSA-N 374.392 3.798 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3nccnc23)N1 587797662 ROBQWHIHMXABSX-RFAUZJTJSA-N 373.229 3.550 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2cccc(O)c2)N1 587833469 NSYUCQGPZFCIJD-XXFAHNHDSA-N 364.214 3.752 0 1 FHAF COC(=O)C1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587812483 ZOJHBAQVBLUNKA-KCCQOBMMSA-N 370.262 3.681 0 1 FHAF Nc1cc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2cc1N 587076796 OTHGJWMLSIPIIZ-UHFFFAOYSA-N 351.797 3.815 0 1 FHAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)n1 587079606 JIYMSCBQNLBYKH-VIFPVBQESA-N 362.817 3.846 0 1 FHAF CC1CCC(NS(=O)(=O)Cc2nc3ccc(C(C)(C)C)cc3[nH]2)CC1 586952983 OYBBLYGQKNGGBL-UHFFFAOYSA-N 363.527 3.859 0 1 FHAF Cc1c(Br)cnc2[nH]c(-c3cc(=N)[nH]c4ccccc34)nc12 587253441 INDODOGNLXBIEZ-UHFFFAOYSA-N 354.211 3.657 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1F 587566947 CLXPBIBSDQFGIN-PXNSSMCTSA-N 352.317 3.940 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2nccnc2c1 587870891 USSLIDYNIANQKS-UHFFFAOYSA-N 362.364 3.720 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc(F)c2)N1 587740067 WACORJZOAGZVQX-JDNHERCYSA-N 353.210 3.920 0 1 FHAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc(C)n1 962707241 KNGIMWOOJVUVDK-JKSUJKDBSA-N 368.330 3.545 0 1 FHAF O=C(O)CC[C@]1(c2ccc(Cl)cc2Cl)NCCc2ccc(O)cc21 963339907 CKNZVERMBYLSCO-GOSISDBHSA-N 366.244 3.953 0 1 FHAF CN(C)c1ccnc(-c2cccc(NC(=O)Nc3cccc(F)c3)c2)n1 1772605471 HOXCUVROZUEKDC-UHFFFAOYSA-N 351.385 3.993 0 1 FHAF CN(C)[C@H]1CN([C@H]2CCc3ncccc32)C[C@@H]1c1cn(C)c2ccccc12 1772598678 VJTBVXDMUXMPEN-OIBXWCBGSA-N 360.505 3.590 0 1 FHAF CCN(CC)c1ccc(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)cc1 1857551954 BJEKBWQXDKBJEP-UHFFFAOYSA-N 355.390 3.726 0 1 FHAF Cc1nc2c(C(=O)NC(C)C)cnn2c(C)c1Cc1c(F)cccc1Cl 3045361 CMZYDXDUDCXQHX-UHFFFAOYSA-N 374.847 3.868 0 1 FHAF CCN1c2ncccc2C(=O)Nc2c(C=O)cc(-c3cccc(OC)c3)nc21 6385194 VUNUSYZETCBSHP-UHFFFAOYSA-N 374.400 3.688 0 1 FHAF COc1ccc(CN2C(=O)CS[C@@H]2c2ccc3cccc(O)c3n2)cc1 6738786 IMXGWKYPKSHERY-HXUWFJFHSA-N 366.442 3.723 0 1 FHAF CCc1ccc(NC(=O)CCn2c(=O)c3cccn3c3ccccc32)cc1 8588439 DDFDQLQAZXVLFJ-UHFFFAOYSA-N 359.429 3.845 0 3 FHAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccco1 59262792 WFSAHCWIQYOYHH-WMZOPIPTSA-N 353.466 3.903 0 1 FHAF COc1ccc([C@@](C)(O)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 61906500 XBYURPQPPHTRPV-LJQANCHMSA-N 355.415 3.803 0 3 FHAF CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)n1 26667496 OQFZHVJVOXDNJP-UHFFFAOYSA-N 350.444 3.693 0 1 FHAF C[C@]1(C(=O)Nc2ccccc2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61928755 MNSXYROMGJOPAZ-JOCHJYFZSA-N 374.396 3.810 0 3 FHAF CC(C)(C)c1ccc(NC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1 28372578 MYCZQSHSBITZDH-UHFFFAOYSA-N 373.888 3.782 0 1 FHAF COc1cc([C@H]2Oc3c(OC)cc(C=CCO)cc3[C@@H]2C)cc2c1OCO2 2356563705 ALMMZKOPVITQNK-BUXKBTBVSA-N 370.401 3.675 0 1 FHAF C[C@H](c1ccon1)N(C)C(=O)c1cc(-c2cn[nH]c2)nc2ccc(F)cc12 20541974 HEVBYRPUJASQLV-LLVKDONJSA-N 365.368 3.585 0 1 FHAF C=CC(=O)Nc1ccc2ncn(-c3cncc(Nc4ccccc4)n3)c2c1 38307287 CVFYLUGNOLKEFO-UHFFFAOYSA-N 356.389 3.684 0 1 FHAF in-vitro COc1ccc(C[C@@H]2CCCN(C(=O)c3cc4ccc(O)cc4[nH]3)C2)cc1 35259610 HWSVQGNWKMDVKH-INIZCTEOSA-N 364.445 3.977 0 1 FHAF CCOC(=O)c1cn(CC)c2cc(OCc3ccccc3)ccc2c1=O 45209908 VSZLNMQCGNMIAI-UHFFFAOYSA-N 351.402 3.777 0 1 FHAF CC(C)(C)NC(=O)[C@H](C1CC1)n1c(=O)c(-c2ccco2)nc2ccccc21 95567993 UHCZJSSDGOVWBA-SFHVURJKSA-N 365.433 3.522 0 3 FHAF O=C(Cc1ccc(F)c(C(F)F)n1)c1cc(Oc2cncnc2)ccn1 96178201 QEAALIYMGLBAEF-UHFFFAOYSA-N 360.295 3.561 0 1 FHAF Cc1[nH]nc2c1[C@@H](c1ccccc1F)c1c(nc3c(c1N)CCCC3)O2 299821031 IMKGZKMKWMEOOM-MRXNPFEDSA-N 350.397 3.999 0 1 FHAF Cc1ccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)cc1 473096993 BPHWUMREZIPGSU-CQSZACIVSA-N 366.396 3.526 0 1 FHAF C[C@@H](CNC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)Oc1ccccc1 653850140 DNYVLBDHXAEEAY-HNNXBMFYSA-N 372.428 3.822 0 1 FHAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1N 587750247 SGJLZMLROIZSER-HUTHGQBESA-N 365.246 3.803 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2CC(=O)O)N1 587825192 BOARNJDSXAJKOG-ZYSBLVPFSA-N 356.235 3.593 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1ccc(OC)c4OC)[C@@H](C2)C3=O 587443994 RSOQZOVXVVKEAV-KSFYIVLOSA-N 366.413 3.692 0 1 FHAF O=C1CC=C(c2nc3ccc4ncccc4c3[nH]2)NN1Cc1ccc(F)cc1 587162980 FDPJWWPNHGMSGK-UHFFFAOYSA-N 373.391 3.528 0 1 FHAF C[C@@]1(CCN2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585136 CLXUHRAORNMGGF-KNQAVFIVSA-N 367.445 3.989 0 1 FHAF Cc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Cl 587006647 PIHAVFBBUMHXFQ-UHFFFAOYSA-N 362.618 3.997 0 1 FHAF C[C@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)C=C(c2ccccc2F)NO1 587157018 QSEOGQUKHYMIMO-MRXNPFEDSA-N 364.302 3.907 0 1 FHAF Cn1cc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2n1 587582827 RHNZKAFNHMXNGA-XMSQKQJNSA-N 372.380 3.982 0 1 FHAF CC[C@H](C)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356026 YGILVJZNUROMQE-DHFGEULSSA-N 358.365 3.760 0 1 FHAF C[C@@]1(c2ccc3c(c2)OCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587527696 VMVZHBRXLQRHPG-QFIPXVFZSA-N 363.413 3.777 0 1 FHAF CC[C@]1([C@@H]2CCCNC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795840 OVQOBPMAELWVMZ-CJBNDPTMSA-N 355.295 3.727 0 1 FHAF CS(=O)(=O)Nc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587534315 YMLZFBQYELBVFI-LJQANCHMSA-N 371.458 3.643 0 1 FHAF COc1ccc([C@@H](c2ccccc2)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 587933639 UDPWIDFRXDALQQ-CQSZACIVSA-N 365.824 3.559 0 1 FHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)C(C)C 587399214 JVECNFJEEVKBPK-GOSISDBHSA-N 369.417 3.854 0 1 FHAF CCCCCc1[nH]c2ccc(F)c(Cl)c2c1C(=O)N[C@H]1CCOC1=O 587630937 FHVANCRNMCDWCZ-ZDUSSCGKSA-N 366.820 3.738 0 1 FHAF COc1cc2c(cc1OC)[C@@H](c1coc3ccccc3c1=O)N(C)[C@H](C)C2 962645538 ZXUAOPZDMFPVKO-ASSNKEHSSA-N 365.429 3.776 0 1 FHAF COC(=O)c1cc(OC)cc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1 963096996 FFNLFYCKENLOCJ-JXFKEZNVSA-N 355.409 3.731 0 1 FHAF COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1O 13608693 QPMVNZHDVVLZST-UHFFFAOYSA-N 357.362 3.749 0 1 FHAF Cc1c(-c2cccs2)nc(N2CCN(C)CC2)nc1-c1cccs1 13808387 URAWNKJEQXQYKX-UHFFFAOYSA-N 356.520 3.994 0 1 FHAF COc1c(-c2ccc(O)cc2)oc2c3c(cc(O)c2c1=O)O[C@@H](C)C3(C)C 14825101 QJGHPSMBMKFFEE-JTQLQIEISA-N 368.385 3.938 0 1 FHAF biogenic,in-vitro CN1CCCN(C(=O)C[C@@H](c2cccc(O)c2)c2cccc(Cl)c2)CC1 15079765 GXCRVVVUFQLZJH-HXUWFJFHSA-N 372.896 3.732 0 1 FHAF COc1c2ccoc2nc2c(OC)c(OC/C=C(\C)COC(C)=O)ccc12 15222583 GMJWTAMJJUJKEN-KPKJPENVSA-N 371.389 3.886 0 1 FHAF O=C1NC(=O)/C(=C\c2cccc(OCCc3ccccn3)c2Cl)S1 167244800 ORLCSMJVOBSRLN-GXDHUFHOSA-N 360.822 3.680 0 1 FHAF Cc1ccc(CN2CCCC[C@H](NC(=O)c3ccccc3C)C2=O)cc1 200052847 GYUZRDYJVKZTHB-FQEVSTJZSA-N 350.462 3.615 0 3 FHAF N=c1[nH]c(CCCOc2ccccc2)c(-c2cccc(Cl)c2)c(=N)[nH]1 1857593137 XMRJZVVWOPBOKP-UHFFFAOYSA-N 354.841 3.634 0 1 FHAF Cc1csc([C@@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)c1 1857763021 SQAREZJBKDTUSE-GOSISDBHSA-N 360.442 3.798 0 1 FHAF CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C)c3n2)c1 28707980 ZQZJJQPZPHXARN-UHFFFAOYSA-N 373.420 3.878 0 1 FHAF Nc1ccccc1NC(=O)/C=C/CCCNC(=O)c1cccc(Cl)c1 117588647 RQUVXEOPUIOLHF-BIIKFXOESA-N 357.841 3.627 0 1 FHAF COC(=O)[C@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@H]2N(C)C1 29485813 ISVOYYWZUYYPHT-ZAAXVRCTSA-N 352.478 3.889 0 1 FHAF O=S(=O)(Cc1ccccc1)NC[C@@H](c1ccccc1)N1CCCCCC1 64274680 RHMLLIYDUFMDOX-NRFANRHFSA-N 372.534 3.723 0 1 FHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)(C)O)=C[C@]3(O)CC[C@@H]21 2356596649 MSCQHAFYQSSUEH-WPCMGHOJSA-N 350.499 3.604 0 1 FHAF CC(C)=CC[C@H](O)[C@H](C)CCCC(C)=CCC[C@H](C)C[C@@H](O)[C@@H](N)CO 2356682926 ASNURABVVXFZSH-LILSUDLASA-N 369.590 3.943 0 1 FHAF COc1c(C)c2c(c(O)c1CC=C(C)CCC[C@@H](C)C(=O)O)C(=O)OC2 2356719215 QPRODDKTRBCFPV-GFCCVEGCSA-N 362.422 3.759 0 1 FHAF CCc1cc(Nc2cc3c(ncn3CCCCOC)c(=O)[nH]2)ccc1C 72175374 INBVJQSSXWVIAS-UHFFFAOYSA-N 354.454 3.766 0 1 FHAF C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@H]1c1ccccc1 71296634 QITUJUVRRULAQB-DHJUGAMNSA-N 373.456 3.803 0 1 FHAF O=C(OCCCF)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(Br)cc1)N2 36271356 GBXCFQBRUJWAGV-FXUDXRNXSA-N 370.262 3.576 0 1 FHAF CN(C)C(=O)C[C@@]1(O)CCC[C@H](/C=C/[C@H](O)CCCCc2ccccc2)C1 36189859 LQQOFRLZJKZLCO-JILZGANYSA-N 373.537 3.716 0 1 FHAF O=C(NCc1ccc(F)c(F)c1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12 73169712 HEESYZLXEJDLJI-UHFFFAOYSA-N 352.344 3.766 0 1 FHAF CCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12 49046366 KIVHVAVIXCVGPY-UHFFFAOYSA-N 372.465 3.778 0 1 FHAF O=C1CN=C(c2cccs2)C=C2c3cccc(Br)c3CCN12 149241396 QVMIPZSIWADRIE-UHFFFAOYSA-N 373.275 3.739 0 1 FHAF COC(=O)/C=C1/C[C@H](C)[C@@H]2C3(CC(=O)[C@@H]4C(C)(C)CCC[C@@]24C)OC1O3 238743295 DZUJBZDHDGENTK-SRAUKYAXSA-N 362.466 3.616 0 1 FHAF C[C@]1(C(=O)Nc2ccc3ccccc3c2)CCC(=O)N1CC(F)(F)F 95571193 PQLNUVZXPXGUFZ-QGZVFWFLSA-N 350.340 3.722 0 3 FHAF Cc1cccc(-c2cn(CC[C@H](N)Cc3cc(F)c(F)cc3F)nn2)c1 95921154 BNUZDHPPDRXKCH-HNNXBMFYSA-N 360.383 3.631 0 1 FHAF in-vitro COc1ccc(C=O)c2cc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)oc12 586903806 OEHJXOVXRVGOGK-UHFFFAOYSA-N 362.267 3.606 0 1 FHAF Cc1ccc([C@]2(c3cc(C=O)n(C)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587392136 WTSKFAXPSULFOX-QHCPKHFHSA-N 374.440 3.946 0 1 FHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(C)nccc2[nH]1 587114295 YPKDJYPJIOWAEG-QGZVFWFLSA-N 362.355 3.685 0 1 FHAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1 587051663 RNBYYJKHRVQXPY-UHFFFAOYSA-N 355.829 3.762 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587135657 ALTUXRWYEPQXEW-CYBMUJFWSA-N 367.153 3.994 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4ccc(F)cc4)c1)[C@@H](C2)C3=O 587427578 IVMZCUNRFBEYBM-UWJYYQICSA-N 364.376 3.683 0 1 FHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(C)cc3F)[nH]c2c1 587146599 SBOSJQZHKMCJMC-UHFFFAOYSA-N 361.442 3.708 0 1 FHAF CC[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 587956284 QKBUUYVCARDGHE-LBPRGKRZSA-N 359.451 3.886 0 1 FHAF Nc1ccc(-c2ccc3nc([C@H]4C[C@H](O)c5ccccc54)[nH]c3c2)cc1N 586904226 RZDAKBVPUZULNR-KKSFZXQISA-N 356.429 3.963 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(F)ccc2F)N1 587738176 KYEJXQXKHOUKQG-UOWDBTKRSA-N 357.173 3.885 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(OCC)cc21 587487550 WBOZWPOAHGBMDT-OAQYLSRUSA-N 367.401 3.556 0 1 FHAF COc1cc2c3c(c1)O[C@](COC(F)(F)F)(c1ccccc1)[C@@H](C2)C3=O 587421459 LAGYLUXEUPAVKA-KBXCAEBGSA-N 364.319 3.875 0 1 FHAF N=c1[nH]c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2o1 587579049 YCLXNUBQTFUHBX-FXAWDEMLSA-N 374.352 3.649 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c[nH]nc12 587598339 XMKWUNUFAXKKJC-LAUBAEHRSA-N 358.353 3.971 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@](C)(c3ccc(-n4cccc4)cc3)c3cccc1c32 963033213 QIKQBLNPSFBICL-MWTRTKDXSA-N 357.457 3.794 0 1 FHAF COc1ccc(Br)nc1[C@@H]1NCCc2c1sc(C)c2C 963015572 BUKLHAFHWNASOU-AWEZNQCLSA-N 353.285 3.766 0 1 FHAF CCCCNc1nc(N)nc(C)c1CCCn1c(C)nc2ccccc21 1772578350 IUYQVQWVHHFRKI-UHFFFAOYSA-N 352.486 3.870 0 1 FHAF COc1cc(-c2cn[nH]c2)ccc1C(=O)NCc1ccc(F)cc1Cl 1772630262 MBFDUQROVSLSPJ-UHFFFAOYSA-N 359.788 3.808 0 1 FHAF Cc1cc(C)cc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1 14944698 OSGFIMXOHVZTAR-UHFFFAOYSA-N 364.453 3.811 0 1 FHAF CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)cc1F 775812 WLLHTKLAZJUHNQ-NSHDSACASA-N 368.836 3.932 0 1 FHAF c1ccc(-c2cnc3n2C[C@@H](CNCc2cnc4ccccc4c2)OC3)cc1 2356301792 FMTWXKBRVYMJQZ-HXUWFJFHSA-N 370.456 3.787 0 1 FHAF CCOC(=O)c1ncn2c(=NCc3ccccc3)[nH]cc(-c3ccccc3)c12 1911580165 MSPQIWFVLKTMSY-UHFFFAOYSA-N 372.428 3.607 0 1 FHAF COc1cccc(-c2c3c(c(O)c4cc(OC)c(OC)cc24)COC3=O)c1 103187901 DYKSWGOWLUIKNA-UHFFFAOYSA-N 366.369 3.909 0 1 FHAF CO[C@]1(CC(=O)OC(C)(C)C)O[C@@H](CCc2ccccc2)CC(=O)[C@@H]1C 2356478367 BFLUJISEQVQXCF-HZUJVAHNSA-N 362.466 3.688 0 1 FHAF O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNCCNc1ccccc1 26498186 HMZUDQZKIYDION-SIQXLRKRSA-N 372.509 3.683 0 1 FHAF CC(=O)c1cc2c(C)cc(=O)oc2cc1OCCN(C)Cc1ccccc1 71294772 FRQNJGDWTRQEEG-UHFFFAOYSA-N 365.429 3.815 0 1 FHAF NCc1noc(-c2nn(Cc3ccc4ccccc4c3)c3ccccc23)n1 40395492 QAQZYBKLPZGING-UHFFFAOYSA-N 355.401 3.747 0 1 FHAF O=C(Cc1ccccc1)N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199715735 NKZCFFFQPLRVAF-LJQANCHMSA-N 370.880 3.580 0 3 FHAF Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccnc1 96922465 YDGOIAYLQWVZCN-FXAWDEMLSA-N 364.493 3.705 0 1 FHAF CN(C)c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12 142966329 OXNNTEZTTTWOEU-UHFFFAOYSA-N 366.375 3.879 0 1 FHAF COc1cc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587525681 RAXWNTFAPUHTHQ-LJQANCHMSA-N 354.402 3.995 0 1 FHAF C[C@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587650320 RUFCDCQOFGELSV-JTQLQIEISA-N 361.394 3.566 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(/C=C/C(=O)Nc3ccccc3)nc2c1 587244556 PIOWKVBPOYYTBO-BQYQJAHWSA-N 355.781 3.655 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(C(C[C@H]3CCCN3)=C(F)F)nc2c1 587088079 ITPQUQXUODLBFZ-SECBINFHSA-N 355.772 3.753 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(C(=O)O)c1)CC2=O 587476198 FEKIOSOOQCRQRU-GOSISDBHSA-N 356.374 3.758 0 1 FHAF COc1cc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ncn1 586987968 JFGCOAAVJFRHHI-UHFFFAOYSA-N 369.380 3.541 0 1 FHAF COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C=O)c1 587522848 HXVVXVRADZJFMS-HXUWFJFHSA-N 364.397 3.871 0 1 FHAF Cc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587589905 YPRHUIIOUFIVGP-OXQOHEQNSA-N 351.358 3.874 0 1 FHAF CCOc1ccc([C@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509752 ITDMUJSAHRFCON-JOCHJYFZSA-N 351.446 3.784 0 1 FHAF CCc1nccnc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588863 SOHGWDWHDLKDQI-LAUBAEHRSA-N 362.385 3.622 0 1 FHAF OCc1ccc(F)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587140453 KTWHAYDWTQRANM-UHFFFAOYSA-N 361.245 3.910 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCOc4ccc(OC)cc41)[C@@H](C2)C3=O 587449138 AFOCDRSMWRMJPD-KKSFZXQISA-N 352.386 3.519 0 1 FHAF CCOC(=O)C[C@]1(c2cccc(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439791 DGUJFFVCVUZWLG-VGOFRKELSA-N 366.413 3.600 0 1 FHAF COc1ncccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587769431 GDXJAYCOKCPDOD-BMLIUANNSA-N 365.246 3.790 0 1 FHAF CCOC(=O)[C@H](c1ccccc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399918 MZWXTFGHIOFZOJ-RXVVDRJESA-N 353.418 3.648 0 1 FHAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cnc2[nH]1 586984510 RTQVRLYZCVVBQI-LLVKDONJSA-N 351.635 3.616 0 1 FHAF CCn1cc(-c2ccnc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)c(C)n1 587876534 SZEYHTBMVFGSCM-UHFFFAOYSA-N 362.368 3.766 0 1 FHAF CCn1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587761645 BORDPYYFSSSVGH-JDNHERCYSA-N 352.251 3.737 0 1 FHAF C[C@]1(CC(=O)NCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512637 NVWNCSMVIUGKBZ-HSZRJFAPSA-N 363.457 3.996 0 1 FHAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587774575 WQMRGBGGWCMPJO-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF Cc1nc(Br)sc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587015172 ZMOSLOQMTFEABP-UHFFFAOYSA-N 363.240 3.642 0 1 FHAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc1O 587770433 QKWOAHPYOZXSGD-VFZGTOFNSA-N 351.219 3.621 0 1 FHAF Cc1c(F)ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587197648 RFZVVBBUFRJCII-ZDUSSCGKSA-N 363.433 3.927 0 1 FHAF O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 11668116 GTICNVWXCYRRSM-SIFUEBAJSA-N 354.837 3.870 0 3 FHAF Fc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2COc2ccc3c(c2)OCO3)cc1 13776969 HAHQKXHPHSTOFJ-WZGPROSRSA-N 355.409 3.858 0 1 FHAF CNC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169313780 RZFLKYKMLWACOU-KEYSHBLASA-N 351.277 3.606 0 1 FHAF CCOC(=O)C1=C(c2cccc(F)c2)N=C(C)[C@H](C(=O)OCC)[C@@H]1CC 169721220 HGIDWFZGXBJNNB-HOTGVXAUSA-N 361.413 3.780 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1ccccc1)N([C@@H]1CCC[C@@H]1O)CC2 1857538403 XVVWFQRUJUJHLI-DXIQSLLYSA-N 353.462 3.565 0 1 FHAF CCOC(=O)c1c(C)oc2nccc(N3CCN(c4ccccc4)CC3)c12 1857570865 PTVCUILCMPCBKY-UHFFFAOYSA-N 365.433 3.640 0 1 FHAF Cc1nc2ccccc2c2oc(C(=O)NCc3ccc4c(c3)OCO4)cc12 4902258 LTZRXFBDEOISAO-UHFFFAOYSA-N 360.369 3.948 0 3 FHAF COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@H]2O 100783702 WLRZIPVGEMNPES-XCRNZQRYSA-N 374.477 3.864 0 1 FHAF endogenous,in-man O=C(Nc1cc2ccccc2s1)c1nc(-c2cccs2)[nH]c(=O)c1O 28820273 XWVTVSSPEHHYCE-UHFFFAOYSA-N 369.427 3.671 0 1 FHAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(C)c1)c1ccco1 103192371 CFZXBPSRHNMFMZ-MRXNPFEDSA-N 354.295 3.695 0 1 FHAF Fc1ccc(Cl)c(OC2CCN(c3ccc(-n4ccnc4)nn3)CC2)c1 28655461 KMQDTOWFQHGQBH-UHFFFAOYSA-N 373.819 3.503 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(Br)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 28471161 CKYZQAZVIFDTJK-RBDSIQFVSA-N 372.690 3.842 0 1 FHAF COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCCCO 28520801 DISFYRJMFSOUIM-VOTSOKGWSA-N 374.433 3.653 0 1 FHAF COc1ccc2cc(NC(=O)[C@H](CCSC)n3cccc3)cnc2c1 2356747541 CLZLVFGVJHKEBL-SFHVURJKSA-N 355.463 3.978 0 1 FHAF CCCC(=O)NCc1nc(-c2nc(C)cs2)c(-c2ccc(O)cc2)[nH]1 73313166 YTQWDJMPRRZXMK-UHFFFAOYSA-N 356.451 3.631 0 1 FHAF O=C(CC1CCCCCC1)Nc1cccc2c(=O)n([C@@H]3CCNC3)ccc12 43012135 JUSKFLHUVAWKQW-QGZVFWFLSA-N 367.493 3.835 0 1 FHAF CC(C)=C(c1cc(Cl)ccc1OC[C@H](O)CNC(C)C)n1ccnc1 40641297 CUKJUMZIHFFAJF-MRXNPFEDSA-N 363.889 3.573 0 1 FHAF Cc1nc2sc(C(=O)NCCc3ccccn3)c(N)c2c(C)c1Cl 95595545 IIUKROQVIWEOAC-UHFFFAOYSA-N 360.870 3.516 0 1 FHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(Cl)cnc2C1 95565336 PJJKPVBTXQXKSP-UHFFFAOYSA-N 364.154 3.865 0 1 FHAF Cc1c(N[C@@H]2CCCNC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 95553244 CKAYFBSKGOPXBW-CYBMUJFWSA-N 374.851 3.738 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(Cl)cc3)n1)O2 587379292 HMMGAWPVVJDPRW-KRWDZBQOSA-N 354.797 3.518 0 1 FHAF CS(=O)(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587085453 TYMSFBBPSCIJHS-UHFFFAOYSA-N 357.822 3.835 0 1 FHAF CO[C@@H](C)COC1CCC(c2nc3ccc(Br)nc3[nH]2)CC1 587952315 OQMXZVUHWSZAMD-UNXYVOJBSA-N 368.275 3.798 0 1 FHAF Cc1cnc(Cl)c2[nH]c(-c3cnn4cccc(Br)c34)nc12 587006481 LGPWCGWTGWSXGF-UHFFFAOYSA-N 362.618 3.997 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4ccccc4)c1C)[C@@H](C2)C3=O 587433603 ZLSHTHXNWDOROG-HTAPYJJXSA-N 360.413 3.852 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CCN(Cc3ccccc3)C1)O2 587395473 MQEHDCQMEBJXHU-HTAPYJJXSA-N 350.462 3.823 0 1 FHAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1N 587747537 LVPNUGLLNMGARV-XLFHBGCDSA-N 365.246 3.803 0 1 FHAF C[C@H](O)c1ncc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)s1 587022834 ZSPFTHQAUCKJPK-YFKPBYRVSA-N 364.299 3.789 0 1 FHAF COC(=O)C[C@]1([C@H](C)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441057 CMIVQPRZXFPFLU-NYFKNOIKSA-N 366.413 3.548 0 1 FHAF O=C(N[C@H](c1ccccc1)c1nc2ccc(CO)cc2[nH]1)c1ccccc1 587218570 JWFSAFDCDONIHQ-HXUWFJFHSA-N 357.413 3.575 0 1 FHAF Cc1cc(C)c2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 587148007 DXZHWJVIBIOUHB-CQSZACIVSA-N 355.388 3.974 0 1 FHAF O=C1C[C@H](c2ccc(N3CCNCC3)s2)Oc2c1ccc1c2CCCC1 587531947 NUYVNMCHSUMTRZ-GOSISDBHSA-N 368.502 3.743 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(C2CC2)N1 587739151 GBYQLZWOEVOIDZ-XUZIUYAISA-N 353.279 3.803 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1N)[C@@H](C2)C3=O 587433002 OCCCORUQDDLDLW-MBSDFSHPSA-N 357.409 3.969 0 1 FHAF COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC(C)C)c1 587438894 IWPYVHBHRGQDRA-IERDGZPVSA-N 354.402 3.980 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4C5=C(CC[C@@]4(C)[C@@H]2CC[C@H]1C3)OCC5 169304516 PFBDJHPYAAHUPA-CMTOCQIHSA-N 360.494 3.972 0 1 FHAF C[C@H]1C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=O)N1Cc1ccccc1 1857553911 FNMNZBMGWFGLHS-QMMMGPOBSA-N 370.277 3.739 0 1 FHAF COc1ccc([C@](O)(c2ccccc2)c2nc3ccc(C)cc3n2C)cn1 1857575492 UEZQKTRJFABWTQ-JOCHJYFZSA-N 359.429 3.570 0 1 FHAF CNC(=O)N(O)CC1=Cc2cc(Oc3ccc(F)cc3)ccc2OCC1 834837 OOEMHHFSIGXIRN-UHFFFAOYSA-N 358.369 3.815 0 1 FHAF CC(=CCO)[C@@H]1O[C@@H]2C(C)=C[C@](C)(C=CC(=O)O)[C@@H]3C(C)=C[C@@]1(C)[C@]23C 2356517350 HCHYEJZGKDRAGI-ZEOIANDVSA-N 358.478 3.888 0 1 FHAF NC(=O)c1cn(-c2ccc(F)cc2)c2cc(-c3ccccc3)ccc2c1=O 6582680 FUONBRHXSQRZEN-UHFFFAOYSA-N 358.372 3.896 0 1 FHAF CCCCN(CCNC(=O)NCc1noc2ccccc12)Cc1ccco1 6860026 HPHVXFNEBOEEPP-UHFFFAOYSA-N 370.453 3.522 0 1 FHAF O=C(NCc1ccco1)c1nc(-c2cccc(F)c2)n2c1CCCCC2 6868628 QLQYJZCCUGAOAM-UHFFFAOYSA-N 353.397 3.939 0 1 FHAF CC[C@H]1[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC(=O)[C@@H]1C 101192365 WNPYNRMJONMARB-FFZMJKDQSA-N 353.506 3.922 0 1 FHAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCNC(=O)c3ccccc3)ccc21 28567894 IQUOQKZCXOOEPP-QUCCMNQESA-N 367.445 3.636 0 1 FHAF COc1ccc(C[C@H](N)c2csc(Nc3nc(C)cnc3C)n2)cc1 61904951 LEJHJDVPFQWTCQ-HNNXBMFYSA-N 355.467 3.545 0 3 FHAF O[C@H](CCCN1CCN(c2nccc3occc23)CC1)c1ccc(F)cc1 34186878 GMRUSTMCIXDTFD-LJQANCHMSA-N 369.440 3.603 0 1 FHAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccco2)C1 82142665 JCFMTLODYIUNJV-CABCVRRESA-N 356.470 3.843 0 1 FHAF O=C1NCCc2[nH]c(-c3cccc4ncc(Oc5ccccc5)nc34)cc21 222358305 JTXMDYASUVCZMQ-UHFFFAOYSA-N 356.385 3.703 0 1 FHAF COC(=O)C1=CCC[C@@H]2[C@@]1(C)CC[C@@H](C)[C@]21C[C@H](c2ccoc2)O[C@H]1O 238762166 HGIUFLSUGFRVBV-HKEIGUTASA-N 360.450 3.991 0 1 FHAF Oc1nccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182945 QRVFFPRXFVJHSV-UHFFFAOYSA-N 371.565 3.589 0 1 FHAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587233487 QQHYBBIJCIBZNY-JQWIXIFHSA-N 363.389 3.561 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(=N)[nH]c1Cl)CC2=O 587462537 QZALVYBXSMOJEJ-LLVKDONJSA-N 368.220 3.561 0 1 FHAF COc1ccccc1C[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587525441 OVCKFEVZHLUCLD-JOCHJYFZSA-N 366.413 3.605 0 1 FHAF COC(=O)c1cccc2nc(CCCc3ccc(OC)cc3OC)[nH]c12 587928827 NERBFVLUYJFWCH-UHFFFAOYSA-N 354.406 3.542 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587231602 PLTIMLQFMKPMHM-CABCVRRESA-N 357.498 3.897 0 1 FHAF N[C@H](N=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068216 MAQPXZVCHXEKFG-MRXNPFEDSA-N 352.785 3.997 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3[nH]c(C(=O)O)c(C)c31)O2 587395672 FDTPCGDFFKWGQL-OAQYLSRUSA-N 368.433 3.745 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@@H](C)NC)CC2=O 587469488 ILNNXZFQCXWCNV-PEBXRYMYSA-N 369.461 3.822 0 1 FHAF COc1ccc2c(C)c(CCc3nc4cccc(O)c4[nH]3)c(=O)oc2c1C 586917975 GMTXVAOHXZOZEN-UHFFFAOYSA-N 364.401 3.786 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn[nH]c1 587859441 JGTZENCOIVAPEL-UHFFFAOYSA-N 351.193 3.667 0 1 FHAF Cc1cc(F)c2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 587132272 OZCOGDBMUAQRCZ-JTQLQIEISA-N 355.360 3.980 0 1 FHAF COC(=O)c1coc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587831036 VMKQEGCPVJABJS-AYVTZFPOSA-N 368.202 3.591 0 1 FHAF C[C@@]1(c2ncccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570356 WHIRWUMIIZCLJY-OXJNMPFZSA-N 351.333 3.803 0 1 FHAF CCN1CC[C@]2(C[C@@H]1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587762851 UWHCZYIAIYYFOM-NVGCLXPQSA-N 355.295 3.822 0 1 FHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(O)cc2[nH]1 587111453 DETPSEPSNUNCOV-KRWDZBQOSA-N 363.339 3.687 0 1 FHAF Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1Br 587497147 KTJIDUYOOKQBQZ-OAHLLOKOSA-N 361.239 3.768 0 1 FHAF Cc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587774041 LAZRUQGQAKVUQU-PWJLMRLQSA-N 350.235 3.619 0 1 FHAF COC(=O)[C@@H]1C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587806020 IIMGBVCTNAJKJS-OVSFNBESSA-N 370.262 3.537 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@]1(CCc3ccc4ccccc4c31)NCC2 962929705 WCUMKNOEXLLUSQ-DEOSSOPVSA-N 356.469 3.877 0 1 FHAF NC(=O)N1CCc2sccc2[C@]1(CC1CCCCC1)CC1OCCO1 962717569 UKZYAMYIULRISP-IBGZPJMESA-N 364.511 3.614 0 1 FHAF COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1N[C@@H](C)Cc2c(OC)ccc(OC)c21 963632671 GNPOLWLWKSPQBU-QKVFXAPYSA-N 367.449 3.659 0 1 FHAF C[C@]1(c2ccc(O)c(C(=O)O)c2)NCCc2c(Cl)cc(Cl)cc21 963122292 NZRGJGPDLREKDO-QGZVFWFLSA-N 352.217 3.806 0 1 FHAF CCOC(=O)CCCC[C@@]1(C(C)C)NC[C@H]2CC(=O)N(C)c3cccc1c32 963023912 JAKBYLOAKXDZJY-ZHRRBRCNSA-N 372.509 3.715 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@@H](c2csc(C3CC3)n2)N1)C(F)(F)F 962727750 AOOLZQDWSQFXMK-JSGCOSHPSA-N 352.381 3.756 0 1 FHAF N=C(N)c1ccc2[nH]c(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c1 18274825 UBTZELOICBXALH-UHFFFAOYSA-N 360.461 3.547 0 1 FHAF CCNC(=O)Nc1ccc2ncc(Nc3ccc(OC)c(Cl)c3)nc2n1 169711831 KJGDMGQFNHYEJL-UHFFFAOYSA-N 372.816 3.572 0 1 FHAF C[C@@H](Oc1ccccc1)c1cc2n(n1)CCN(C(=O)c1ccc(F)cc1)C2 168068264 ALXDNMSKBLJSRY-OAHLLOKOSA-N 365.408 3.818 0 1 FHAF COc1ccc([C@H]2[C@@H]3CCCC3=NN2S(=O)(=O)c2ccc(C)cc2)cc1 1857595102 QGALVWOWVDVKHZ-QUCCMNQESA-N 370.474 3.905 0 1 FHAF CCO[C@@H]1CCCN(c2cc(C)nc(Nc3ccc(F)c(OC)c3)n2)C1 1857650791 DYBCSEQBSUBLMV-OAHLLOKOSA-N 360.433 3.682 0 1 FHAF Cc1cc2ccccc2c(=O)n1CC(=O)N1CCC(Cc2ccccc2)CC1 6724992 XFBRBPANOOHZKI-UHFFFAOYSA-N 374.484 3.791 0 1 FHAF CCCCCCNc1nc(Cl)c(SC)c(N2CCN(C)CC2)n1 29228518 CXYLMTHFPIHKDD-UHFFFAOYSA-N 357.955 3.596 0 1 FHAF O=C1NC[C@H](c2ccc(C(F)(F)F)cc2F)N1c1ccc2[nH]cnc2c1 116195092 XVQXSBBZNYESFI-OAHLLOKOSA-N 364.302 3.992 0 1 FHAF CN1[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1[C@@H](O)C2 28476734 NRKFYDQWSIYFGJ-FYQPLNBISA-N 359.416 3.667 0 1 FHAF COc1cccc2c1[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1CC2 117398330 OSEMOEIRGCDFLV-LPHOPBHVSA-N 361.445 3.906 0 1 FHAF NCCNCCCCCCn1c(-c2ccc(O)cc2)cc2cc(O)ccc21 29406203 QWIRUJIAQRWHRG-UHFFFAOYSA-N 367.493 3.828 0 1 FHAF Nc1ncnc2c1c(-c1ccccc1)cn2[C@H](CO)CCc1ccccc1 27995149 YWPFOIGAJAFXPL-SFHVURJKSA-N 358.445 3.847 0 1 FHAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]34CCC[C@@H]3[C@@H]3NCCC[C@@H]3C[C@@]14[C@H](O)C2 2356655246 CLTUMOCOASTNOP-JFJGVCOUSA-N 359.554 3.627 0 1 FHAF O=c1[nH]c(SCc2coc(-c3cccc(Cl)c3)n2)nc2c1CCC2 73225023 BDCBSAPZGIOAFN-UHFFFAOYSA-N 359.838 3.859 0 1 FHAF Nn1c(S)nnc1-c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 40379834 SJRKZVWBCSQCRR-UHFFFAOYSA-N 358.430 3.644 0 1 FHAF C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(c3nc4ccccc4o3)C2)CCC[C@H]1C 618007439 AOGAPEDTGQFRBT-TWMKSMIVSA-N 355.482 3.985 0 1 FHAF CC1(C)C(=O)C(O)=C[C@@H]2C1=CC[C@@H]1[C@]2(C)C(=O)C[C@@]2(C)CC(=O)C[C@@]12C 85886079 ZNVJUUJXCJWXED-CBVOEYLMSA-N 356.462 3.954 0 1 FHAF biogenic COc1cc2c(cc1O)C[C@@H]1c3cc(OC)c(OC)cc3CCN1[C@H]2C 85909733 HEZATOQIKMHZNZ-YVEFUNNKSA-N 355.434 3.635 0 1 FHAF biogenic CC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]1c1ccccc1)[C@]32C 299813973 ZXKPEKZKEYGWNX-UZCBEENBSA-N 360.457 3.904 0 1 FHAF COC(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1OC 587081405 UUQYUMKCVPXKHK-CQSZACIVSA-N 358.781 3.688 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccncn1)(c1ccc(F)cc1)O2 587384530 LSVJHEZXEPCVRK-NRFANRHFSA-N 363.392 3.610 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2ccc3c(c2[nH]1)CCCC3)C(C)C 586933755 XEURNJIGJQFMRO-KRWDZBQOSA-N 363.527 3.858 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(CC3CC3)n2)N1 587764767 QUUHSMWPFOIZNZ-BMLIUANNSA-N 364.262 3.818 0 1 FHAF COc1cccc(C(=O)c2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)c1 587933328 YLWQVEWWUHWSSQ-UHFFFAOYSA-N 364.792 3.913 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3[nH]nc(Br)c3c1)O2 587372897 NLSNPUNECHOGEE-OAHLLOKOSA-N 372.222 3.923 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nonc23)N1 587796856 QUPGRDCIAPMVSU-GLEZIHRCSA-N 362.202 3.748 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccnn1-c1ccc(F)cc1)[C@@H](C2)C3=O 587429537 WCIAMUGGAOXKEQ-YWZLYKJASA-N 350.349 3.509 0 1 FHAF Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587596229 PWGBKTDPTFUJEU-AVRDEDQJSA-N 373.364 3.510 0 1 FHAF COc1ccc(OC)c2c1CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587403564 ONRMRXWZGPNJSR-NRFANRHFSA-N 353.418 3.791 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCO3)C(C)(C)C 587206267 WCYPXDHVYUKHDY-HNNXBMFYSA-N 361.442 3.774 0 1 FHAF CCC[C@@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793417 DYTLANNVGDUBJH-MGPLVRAMSA-N 358.251 3.681 0 1 FHAF COc1ccc(/C=C/Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(OC)c1 587931243 ZWSDZLHYLNDRPU-AATRIKPKSA-N 365.433 3.538 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(F)cc1OC(F)F)[C@@H](C2)C3=O 587424494 ZEBGIHFZPSYVLK-YVEFUNNKSA-N 350.292 3.924 0 1 FHAF COC(=O)c1cc2nc([C@@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2cn1 587934392 DJUGTJKXIJLVQG-FQEVSTJZSA-N 373.412 3.933 0 1 FHAF COc1ccc(C)c2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 587654645 XFDIFPIJDVQPJI-UHFFFAOYSA-N 357.822 3.966 0 1 FHAF CC(C)(C)OC(=O)NCc1[nH]c2c(C(=O)O)cccc2c1-c1ccncc1 587638524 RQGGDVXYCFXCCR-UHFFFAOYSA-N 367.405 3.953 0 1 FHAF CN(C)CCOc1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 586896091 JSHGUWOITAAYOI-UHFFFAOYSA-N 353.466 3.774 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CCCN1C(=O)OC(C)(C)C)O2 587397306 ZOSYWFWXEUMZIC-OXQOHEQNSA-N 360.454 3.701 0 1 FHAF C/C=C\C[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H]1CC(=O)OC 587401880 ZNGWYHYXMKVTIF-PFCZGKTRSA-N 357.450 3.837 0 1 FHAF N=c1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)[nH]1 587499262 LTPRXQSJZNVXTC-GFCCVEGCSA-N 364.232 3.781 0 1 FHAF Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)o1 587275860 GQICXAPMOPJJKH-UHFFFAOYSA-N 350.168 3.523 0 1 FHAF COc1ccc(OC)c([C@@]2(c3ccccc3)NCCc3ccc(O)cc32)c1 963351178 FKRQJJWKSVYPPR-QHCPKHFHSA-N 361.441 3.847 0 1 FHAF CCOC(=O)[C@@H](C[C@@]1(C)NCCc2cccc(-c3ccccc3)c21)C(C)=O 962656543 BHAAGDNHOYFHND-NZQKXSOJSA-N 365.473 3.873 0 1 FHAF CC(C)(C(=O)O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12 141782328 GURWALQNMNHOKX-UHFFFAOYSA-N 355.825 3.825 0 1 FHAF O=c1c(-c2ccccc2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12 1772622909 IFNDGYSZOHZMSV-UHFFFAOYSA-N 363.436 3.552 0 1 FHAF C[C@@H](CSc1ccccc1)NC[C@H](O)COc1ccccc1Cl 169327299 YNENMVYYNGMVIH-GJZGRUSLSA-N 351.899 3.850 0 1 FHAF O=C(c1ccc(O)cc1)c1ccc2[nH]cc(C(=O)c3ccc(O)cc3)c2c1O 1857567397 PBAPYBDUTOURQZ-UHFFFAOYSA-N 373.364 3.747 0 1 FHAF CC[C@@H](C)Nc1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 588890 OGTPHDYRZSEDNM-GFCCVEGCSA-N 369.469 3.944 0 1 FHAF O=C(c1ccc2c(c1)[C@H](C(=O)Nc1ccccc1)C(=O)O2)c1cccs1 100797026 NQMUGRZWPSEZGO-QGZVFWFLSA-N 363.394 3.620 0 1 FHAF Cc1ccc(NC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)cc1 101177137 DDWMZHCMTVCIHJ-UHFFFAOYSA-N 371.396 3.652 0 1 FHAF CCOc1ccc(NC2=NS[C@@H](Nc3ccc(OCC)cc3)N2)cc1 103198119 YVLYEAXTSUBKTH-SFHVURJKSA-N 358.467 3.899 0 1 FHAF COc1cc([C@H]2CN=C(c3ccnc4ccccc34)O2)cc(OC)c1OC 27524063 KIMJCRBCYHYOAG-LJQANCHMSA-N 364.401 3.779 0 1 FHAF CN(CCC[C@H](O)c1ccc(F)cc1)CCN(C)Cc1ccc(F)cc1 26816334 RQCPKEYSYMOSFY-NRFANRHFSA-N 362.464 3.842 0 1 FHAF CCCCC[C@@H](O)CCC[C@@H](CCCCCCC(=O)O)S(C)(=O)=O 59381315 JJUSAJSCYGSBSG-IAGOWNOFSA-N 364.548 3.936 0 1 FHAF CCCCC[C@H]1C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 40670878 OMZWQYNMKBPQOL-UTDFVYROSA-N 369.505 3.740 0 1 FHAF O[C@@]1(c2ccc(-c3nc4ccccc4s3)cc2)CN2CCCC[C@@H]2CO1 40951704 ZTONOAATDZXAON-UTKZUKDTSA-N 366.486 3.993 0 1 FHAF in-vitro Oc1ccc(O[C@H]2C[C@H]3C[C@@H]2C[C@@H]3n2cnc3c(Cl)ncnc32)cc1 84602645 RPNXBCLHUQHMEB-FIXIBIHLSA-N 356.813 3.604 0 1 FHAF O=C(NC1CCCCCC1)c1cn2c3c(cccc3c1=O)OC[C@H]2C1CC1 95552033 MABUNEOPQJBFKT-SFHVURJKSA-N 366.461 3.798 0 1 FHAF COC(=O)C[C@@H]1C(=O)O[C@H]2O[C@@H](C)/C(=C/[C@]3(C)CCCC(C)(C)C3)[C@H]12 238753644 NBWPFZAKGLLNHV-QKAGEACBSA-N 350.455 3.616 0 1 FHAF COc1ccc(C2=CCc3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 96908503 ZHOGDWOJCUYFSR-UHFFFAOYSA-N 358.390 3.706 0 1 FHAF CCC[C@H](C)COc1ccc([C@H](CO)NC(=O)Cc2ccccc2)cc1 146502777 WKYNMPQSWSISJD-UWJYYQICSA-N 355.478 3.894 0 1 FHAF C[C@H](c1cccc2ccccc12)n1c(O)cc(=O)n(C2CCCC2)c1=O 96270114 CJDAMBQIWLWKNU-CQSZACIVSA-N 350.418 3.593 0 1 FHAF CN(C(=O)C(Br)(C(F)(F)F)C(F)(F)F)c1ccccc1 68575809 HTRXFDKUQCCMCB-UHFFFAOYSA-N 364.083 3.908 0 1 FHAF biogenic Nc1ccc(C(=O)C[C@@]2(O)c3ccccc3-c3nc4ccccc4nc32)cc1 473135385 OOESNLVVSHEHFW-HSZRJFAPSA-N 367.408 3.701 0 1 FHAF Cc1cccc(-c2cccc(NC(=O)c3nnc(CCC(=O)O)s3)c2)c1 653861846 UAEIGMSYOHQESR-UHFFFAOYSA-N 367.430 3.783 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccc(Cl)cc3)no1)O2 587381060 ZTBSNQASOIDURY-HNNXBMFYSA-N 355.781 3.987 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2N)N1 587731952 MEFZZWBPBXCHSL-VPTHRUTESA-N 353.210 3.933 0 1 FHAF CC(C)CCOC(=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796973 UTDXCHLXSKOVES-GTNSWQLSSA-N 372.278 3.927 0 1 FHAF Cc1nc(COc2cccc(-c3nc4cccc(C(N)=O)c4[nH]3)c2)cs1 587020791 YHBPZBBUWCTVTB-UHFFFAOYSA-N 364.430 3.673 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3[nH]c(=N)oc13)CC2=O 587468076 ANPQESGPZMEMMP-HXUWFJFHSA-N 352.390 3.779 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cccnc1Cl)O2 587380938 YNCWVATTYPNAGT-MONCILHSSA-N 357.841 3.562 0 1 FHAF CCOc1ccc2[nH]c(=O)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c1 587395372 QKUHNNQVWIJSDH-IBGZPJMESA-N 364.401 3.524 0 1 FHAF C[C@@H]1CN(C(C)(C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)O1 587511948 AXRLEVHAJNMORU-SXGZJXTBSA-N 357.494 3.787 0 1 FHAF Cc1n[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590734 TYNOTZHTQOICSB-PXNSSMCTSA-N 350.374 3.609 0 1 FHAF FC(F)(F)c1nc2ccncc2cc1-c1nc2nc(Cl)c[nH]c-2n1 587115863 CLTRFUCEVZDEGD-UHFFFAOYSA-N 350.691 3.587 0 1 FHAF COc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1F 587006940 SMKKLBXYWFEXDB-UHFFFAOYSA-N 361.174 3.788 0 1 FHAF CN(C)C(=O)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120696 SVCRGXSTZDVZAN-UHFFFAOYSA-N 373.338 3.827 0 1 FHAF COC(=O)c1ccc2[nH]cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587397113 SKYOWUODYREDGY-GOSISDBHSA-N 350.374 3.552 0 1 FHAF O=C(CCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CC1 587602608 KDVSDJGPVKUGCZ-MJGOQNOKSA-N 352.386 3.872 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cncc1F 587566868 AYBHILJHGXGJSX-QFBILLFUSA-N 355.296 3.768 0 1 FHAF COc1cc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2cc1OC 586882427 SODPMMDFMMQZAY-UHFFFAOYSA-N 352.390 3.509 0 1 FHAF O=C(/C=C/c1nc2ccnc(Br)c2[nH]1)Nc1ccc(F)cc1 587167312 PRVYKJVGBQWNFK-AATRIKPKSA-N 361.174 3.511 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(F)ccc1F 587567069 BXBWQKWMEGJITA-BEFAXECRSA-N 355.296 3.768 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(C4CC4)nc4sccn14)[C@@H](C2)C3=O 587453982 UALWDGDPQFJRNF-KPZWWZAWSA-N 352.415 3.771 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CCO)cc2)N1 587829201 WJMMNHRBVATYEA-ADLMAVQZSA-N 364.258 3.747 0 1 FHAF O=C(O)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611790 UDKWCGWZZCYBNE-FXAWDEMLSA-N 362.337 3.793 0 1 FHAF CC(C)C1=C[C@@]2(CC(=O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 587829982 DFYZRGFMNSKUQF-QGHHPUGFSA-N 368.246 3.805 0 1 FHAF CC(C)(C)[C@@]1(CO)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962956761 LMSGXDVYBOZDIK-SFHVURJKSA-N 357.416 3.591 0 1 FHAF O=C1c2nccc3c2C[C@H]1N[C@]31CCc2ccc(OCc3ccccc3)cc21 963288889 HDKLJKUPOAISRX-ZJSXRUAMSA-N 368.436 3.561 0 1 FHAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@H](CCC(=O)O)C(=O)O 13742384 BLLKEMRRIDEHKU-KOCIXHNPSA-N 365.470 3.840 0 1 FHAF c1ccc(-n2cnc3cc(SCCCN4CCOCC4)ccc32)cc1 13798300 HCFYTLOODORVLY-UHFFFAOYSA-N 353.491 3.840 0 1 FHAF CN1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1 14970835 BKQFXMIFPQJYMZ-UHFFFAOYSA-N 353.857 3.544 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 169291200 FHWOSRUUSHMKKA-QCQTWIRCSA-N 356.466 3.595 0 1 FHAF Cc1ccc(O[C@@H]2CCCN(C(=O)C(=O)c3c[nH]c4ccccc34)C2)cc1 169318068 TWDQBZJQOORAFB-QGZVFWFLSA-N 362.429 3.729 0 1 FHAF CC(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1Cl 204424133 PVKGZMTXQAFIGJ-HNNXBMFYSA-N 373.806 3.922 0 1 FHAF CNC(=O)CCC[C@@H](C)C[C@@H](OC(=O)[C@@H](C)CCCCO)C(C)(C)C 209463256 JANKFHNXBKVLFG-IXDOHACOSA-N 357.535 3.686 0 1 FHAF CC(=O)Oc1ccccc1C(=O)Nc1ccc2c(c1)C(C)(C)N([O])C2(C)C 1857749027 QLXRRCRAKWBRBO-UHFFFAOYSA-N 367.425 3.996 0 1 FHAF CCOc1ccc(-c2cc(NC(=O)c3ccc(F)cc3O)cnc2O)cc1 1857758314 MZXOXPPGCZWJEL-UHFFFAOYSA-N 368.364 3.950 0 1 FHAF Cc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5cccnc5)C[C@@H]3N4)cc2)cc1 100106891 VPRJIFWNDSSJGX-UBRQYEGLSA-N 355.485 3.997 0 1 FHAF Cc1cc(-c2noc(C3CC3)n2)cc(C)c1OCCCc1cc(CO)no1 28769689 JMGVJPDUOKIIAQ-UHFFFAOYSA-N 369.421 3.723 0 1 FHAF O=[N+]([O-])/C(=C\c1ccc(Cl)o1)C1=NCCN1Cc1ccc(Cl)nc1 59085618 PWSKUKVZFBDQOK-GHXNOFRVSA-N 367.192 3.513 0 1 FHAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccncc5)C[C@@H]3N4)cc2)c1 100107954 FMKRRVQASUFWME-NUNAXRQHSA-N 369.468 3.637 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2C[C@@H]1c1ccccc12 100654019 CCNUQTMMRGAWTF-XBQLCILLSA-N 364.445 3.814 0 1 FHAF Cc1cccc(-c2nnc(COc3cnn(C(C)(C)C)c(=O)c3Cl)o2)c1 103217203 HWRPTUURQMDDEG-UHFFFAOYSA-N 374.828 3.589 0 1 FHAF COc1ccc(CCNc2cc(-c3ccccc3O)nc(OC)n2)cc1 66100999 AAYUCSUEYKDIEG-UHFFFAOYSA-N 351.406 3.521 0 1 FHAF CCN(CC)CCNC(=O)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@@H]21 27999209 PBKDIZDDELFTGW-WMLDXEAASA-N 350.890 3.830 0 1 FHAF CC(=O)C[C@@H](O)CC(=O)[C@H]1OC(=O)CCCCCCCCc2ccccc21 61959209 SAOZMKNZDLVYHG-GCJKJVERSA-N 374.477 3.857 0 3 FHAF CCCCOC(=O)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@H]2[C@H]1O 66058951 KSSLEJDPSBCEDM-OKAKVDCISA-N 358.478 3.789 0 1 FHAF COCc1c(CO)cc(OC)c(CC=C(C)CC=CC(C)(C)OC)c1O 2356455591 ZDQPYKPEXKAJMI-UHFFFAOYSA-N 364.482 3.900 0 1 FHAF CC[C@H]1CN(Cc2ccncc2)CC[C@@H]1CC(=O)NCc1cccs1 2356872209 YQJPLAFIIYLSFE-ZWKOTPCHSA-N 357.523 3.698 0 1 FHAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CCC2=O 85589886 ZMITXKRGXGRMKS-YCJSCZQZSA-N 370.511 3.786 0 1 FHAF endogenous,in-man Nc1cnc(-c2ccc(-c3ccccc3-c3cnc(N)cn3)cc2F)cn1 224848425 DIRMXVXLQFFJHJ-UHFFFAOYSA-N 358.380 3.571 0 1 FHAF O=C1c2ccc(-c3ccc(F)cc3)cc2CCN1CCN1CCCCC1 84653440 AEHCJYWMDQUABD-UHFFFAOYSA-N 352.453 3.977 0 1 FHAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3c2ccc(C)c3C)c1 40404614 CYNSMARVTUDOAM-SFHVURJKSA-N 351.402 3.689 0 1 FHAF C[C@@H](c1ccc(OC(F)F)cc1)N1CCC2(CCC(O)CC2)OC1=O 146364113 CPGYHYFOIJKRGY-DTVQEZCTSA-N 355.381 3.865 0 1 FHAF CN1CCC(C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2F)CC1 473106401 XAKAENGNLKUSAY-UHFFFAOYSA-N 358.388 3.742 0 1 FHAF C[C@H](Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O 653803261 DCCNWCBAKAPIQY-GFCCVEGCSA-N 365.351 3.899 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cnnc(O)c1Cl 587861887 XJHWZQWDUQWFAU-UHFFFAOYSA-N 370.718 3.716 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CCO)cc1 587607974 JNCRAKZHTYLIAU-UGKGYDQZSA-N 362.381 3.630 0 1 FHAF C[C@@H](Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(N)=O 587512581 YVCDKIYJWNLZEG-XCLFUZPHSA-N 365.429 3.525 0 1 FHAF CC(C)c1c(-c2ncnn2C)[nH]c2c1c(Br)cc1n[nH]cc12 587622446 BJFZYRCZOGTHPR-UHFFFAOYSA-N 359.231 3.726 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3cc(Br)ccc3Cl)nc12 586980477 SBMLFGIDFUXMFH-UHFFFAOYSA-N 366.602 3.827 0 1 FHAF Cc1cn2c(n1)[C@]1(CC=C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587775787 UEMOVJBJNOMQAT-BMLIUANNSA-N 362.246 3.745 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(C(=O)O)[nH]c4ccc(F)cc14)[C@@H](C2)C3=O 587427219 HUXNEDHXQNCTPK-BUXKBTBVSA-N 367.332 3.503 0 1 FHAF C[C@@]1(CN2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598096 WEBIXSSEALEGSD-NQIIRXRSSA-N 353.418 3.598 0 1 FHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C)cc(C)c3[nH]2)cc1 586940691 CDIZIZCXDCAJFR-CMDGGOBGSA-N 355.463 3.578 0 1 FHAF Cc1c(F)ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587151466 ZWSINTPGLLWGQO-LBPRGKRZSA-N 359.351 3.805 0 1 FHAF CCOc1ccccc1[C@@](N)(c1nc2c(Cl)ccnc2[nH]1)C(F)(F)F 587093912 ZXCJUQCIHDVNSR-OAHLLOKOSA-N 370.762 3.775 0 1 FHAF N[C@@H](Cc1nc2cc(Cl)cnc2[nH]1)c1ccc(Br)cc1F 587142717 LZQJWZQUJYQAPI-NSHDSACASA-N 369.625 3.755 0 1 FHAF CN(C)CCOc1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587037018 QJEFNLXJIWCRQN-QGZVFWFLSA-N 359.520 3.944 0 1 FHAF COC(=O)c1cc(Br)c2[nH]c(C(C)(C)CSC)nc2c1 586969076 NBXHQDYQTTXBJU-UHFFFAOYSA-N 357.273 3.753 0 1 FHAF CCc1cc2c(O)nc(O)nc2nc1-c1cc(Br)ccc1F 587368757 WJCUSRLNWRMRID-UHFFFAOYSA-N 364.174 3.567 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](C(=O)O)CC3 586989713 CSYVDUZRWFIMJK-NSHDSACASA-N 359.381 3.731 0 1 FHAF CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587614829 VBHBSHGNPSFIPE-YJBOKZPZSA-N 366.398 3.607 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncc(F)c2)N1 587735462 UOWABXUQVSLDQA-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1-c1cccnc1)CC2=O 587476115 PETQPHWEVJHVJM-IBGZPJMESA-N 363.417 3.847 0 1 FHAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1CCF 587718265 NKCLHYNRRBCGBA-XXFAHNHDSA-N 370.241 3.686 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccccc3F)c1)O2 587386194 UENYVOIBGHEIAL-FQEVSTJZSA-N 351.381 3.783 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4cccn4)c(F)c1)[C@@H](C2)C3=O 587425334 BWUDEVAUVJOCHB-VBKZILBWSA-N 350.349 3.509 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(C(C)(C)C)cccc21 587402279 WTIAYDXTPKYWKK-OAQYLSRUSA-N 350.418 3.688 0 1 FHAF CSc1nccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587842247 DHSRJTKPNJOBKQ-RMLUDKJBSA-N 368.275 3.724 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccn(C)n1)O2 587377002 FMGWCKOYLGBZGA-HXUWFJFHSA-N 367.836 3.873 0 1 FHAF CC[C@]1([C@H]2CCCNC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799890 ZTBSVSDNSDICLX-BTJLNZGRSA-N 355.295 3.727 0 1 FHAF CCOC(=O)C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596878 POGTUHWVSFBTDI-RXVVDRJESA-N 370.401 3.702 0 1 FHAF C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccccc12 1772606764 HYOWKJJCWVESPI-ZRNGKTOUSA-N 355.800 3.690 0 1 FHAF COC(=O)[C@H]1C(C)=NC(=S)N[C@H]1c1ccc(-c2cccc(Cl)c2)o1 169691221 CWHULRFROPCFJI-GJZGRUSLSA-N 362.838 3.779 0 1 FHAF CC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1nccs1 206688951 MCGMVAFPXXKMBP-UHFFFAOYSA-N 357.479 3.869 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@H](C[C@@H]1CCN1Cc1ccccc1)C2 1857628157 ADXPNWDIQYFMRM-ROUUACIJSA-N 351.446 3.723 0 1 FHAF CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1CCc1ccc(C)cc1 2913153 XJKOGRNTSVQQNJ-OXQOHEQNSA-N 350.462 3.649 0 1 FHAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCO 4310679 JWNYNQYZDKHBEP-SJORKVTESA-N 370.852 3.602 0 1 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 101199962 VDSHRIABCYXDCJ-ABDYDURRSA-N 353.506 3.979 0 1 FHAF CC[C@@H]1CC[C@@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)C1 101678237 ASUPALFNMIVBLS-CZUORRHYSA-N 362.857 3.642 0 1 FHAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(OC)ccc1OC 102838735 AMDVXHRQEAMYFN-HMNTXPNISA-N 372.425 3.577 0 1 FHAF Fc1cccc(-c2cnc([C@H]3COCCN3Cc3ccccc3F)[nH]2)c1 2356299472 ICPRFLODILUODE-LJQANCHMSA-N 355.388 3.928 0 1 FHAF CC(C)=CC[C@@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27884263 WOPYURXQWMHYFG-WUOIFLIFSA-N 354.487 3.691 0 1 FHAF CCC[C@H](c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 28885787 HQFIBOUMMLVIND-OAQYLSRUSA-N 363.505 3.956 0 1 FHAF CC1(C)CC[C@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)C1 101678241 PLVFCLKRSMXMLU-HNNXBMFYSA-N 362.857 3.642 0 1 FHAF O=S(=O)(NC[C@H](c1ccccc1)N1CCCCCC1)c1ccccc1 58506785 KCZQVDUNRPTDJR-HXUWFJFHSA-N 358.507 3.582 0 1 FHAF Cc1cc(C(F)(F)F)nc(CCNc2nc(C)nc3sccc23)n1 63832538 PBWFSFWORSQJQL-UHFFFAOYSA-N 353.373 3.772 0 1 FHAF CC(C)C1CCC(N2CCC(n3c(=O)c(=O)[nH]c4ccccc43)CC2)CC1 115716345 GBRKRVVJROXVMX-UHFFFAOYSA-N 369.509 3.542 0 1 FHAF O=C1c2ccccc2[C@](OCCCO)(c2ccccc2)N1Cc1ccccc1 28132906 OIFWPXHKZGLRNC-XMMPIXPASA-N 373.452 3.943 0 1 FHAF CCCOc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1 28877783 DYTAWBSXUOYEEG-UHFFFAOYSA-N 364.405 3.932 0 1 FHAF CCCCOc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cn1 35942518 QBGBBYDVZKAYQR-UHFFFAOYSA-N 371.372 3.779 0 1 FHAF CCOC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49111112 ZVZRZJBJTSLCRZ-MRXNPFEDSA-N 358.221 3.754 0 1 FHAF Cc1ccc(CNc2ncnc3c2nc(C2CC2)n3C[C@H]2CCCO2)cc1 82179393 XYAQPZAOMLVALT-QGZVFWFLSA-N 363.465 3.803 0 1 FHAF O=C(C[C@@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccc2ccccc2c1 95573248 RNDONKSLYZHHCF-SFHVURJKSA-N 362.381 3.982 0 1 FHAF CN(C(=O)c1ccncc1)c1ccc(OCc2cn3ccccc3n2)cc1 96911645 HZIZHNHVCNGYCV-UHFFFAOYSA-N 358.401 3.585 0 1 FHAF Cc1ncc(CO)c2c(Nc3cnccn3)c(NCc3ccccc3)oc12 95575778 MRFOZMCXMJFMOS-UHFFFAOYSA-N 361.405 3.774 0 1 FHAF CN(C)c1ccc(-c2nc3ccc(OCCOCCF)cc3s2)cn1 95576242 OQVOKBJHYWNDRH-UHFFFAOYSA-N 361.442 3.789 0 1 FHAF c1cc(-c2nc(OC[C@@H]3CCCN3)c3c4c(sc3n2)CCCC4)ccn1 653758346 ULTCRHWVTDFLKD-AWEZNQCLSA-N 366.490 3.763 0 1 FHAF O=C(/C=C\c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)Nc1ccc(F)cc1 587166618 FLCGYVOXTSXGMW-WAYWQWQTSA-N 361.279 3.675 0 1 FHAF Brc1c[nH]c2nc(-c3ccc(-c4nccs4)cc3)nc-2n1 587024109 VVPVLQNWZTVAHL-UHFFFAOYSA-N 358.224 3.858 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc12 587111202 AUHYNJMHDWHHBW-UHFFFAOYSA-N 372.306 3.979 0 1 FHAF COc1ccc(C)cc1C(=O)CCc1nc2cc3c(cc2[nH]1)OCCCO3 587787126 KADJIKQFAIQOIJ-UHFFFAOYSA-N 366.417 3.857 0 1 FHAF Cc1[nH]c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C=O 587593008 ZWNMKDDGMFYXBD-NQIIRXRSSA-N 363.369 3.853 0 1 FHAF Cc1nc(COc2cccc(-c3nc4cc(N)c(N)cc4[nH]3)c2)cs1 587020253 KGZMHFPIGVEYMF-UHFFFAOYSA-N 351.435 3.738 0 1 FHAF COC(=O)c1cc2[nH]c([C@@H](O)[C@@H](C)c3ccc(C)cc3)nc2cc1OC 586885633 CRXGHXUVWRGOGT-SGTLLEGYSA-N 354.406 3.504 0 1 FHAF COC(=O)c1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C 587512881 PGCCMVLVZDNVOG-OAQYLSRUSA-N 353.418 3.571 0 1 FHAF Cc1nsc(N)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617853 LFVPQEXZPKIUDK-DNVCBOLYSA-N 368.414 3.616 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1CC(=O)OC)CC2=O 587480923 PXZNGAIIQXILSA-IBGZPJMESA-N 354.402 3.767 0 1 FHAF FC(F)(F)COc1cc(-c2nc3c(Br)ccnc3[nH]2)ccn1 587091378 JUGSCFOZGADRSZ-UHFFFAOYSA-N 373.132 3.724 0 1 FHAF COC(=O)[C@H](C)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587807603 MBAXJVXTQSKDOM-XIZWVBILSA-N 358.251 3.537 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(F)ccc2F)N1 587738174 KYEJXQXKHOUKQG-JKYUHCHBSA-N 357.173 3.885 0 1 FHAF O=C(O)Cc1ccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587960851 FUTZVDFHRNYWLD-UHFFFAOYSA-N 350.296 3.679 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(NC(=O)OC(C)(C)C)CCCC1)O2 587385702 FADBHIKDPKYUJW-INIZCTEOSA-N 360.454 3.749 0 1 FHAF COc1ccc(C)cc1NCCCc1nc2cc3c(cc2[nH]1)OCCO3 587228388 BZAAKLFHSLCTKS-UHFFFAOYSA-N 353.422 3.696 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2C(F)F)N1 587713997 DQFLISQNKVOTIW-UHLUBPPHSA-N 374.204 3.883 0 1 FHAF Cn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21 13447704 STTILKKNKXMNIF-UHFFFAOYSA-N 352.393 3.899 0 1 FHAF Cc1c(C)c2c(c(C)c1N)C[C@](C)(CN1CCN(c3ccccc3)CC1)O2 13652105 FARNOIANKDYBAV-HSZRJFAPSA-N 365.521 3.710 0 1 FHAF COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C)C3)c2cc1OC 14956410 MUHUODHRRSHCNV-OAHLLOKOSA-N 365.433 3.613 0 1 FHAF C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(C(=O)O)cc3)cc2)C1=O 169720244 IEJPCOBEYSXVIR-ODXCJYRJSA-N 354.427 3.832 0 1 FHAF Cc1nn(C)c(-c2ccc(F)cc2F)c1-c1ccc2c(c1)NC(=O)CO2 200991195 MWMYJWOQNQECID-UHFFFAOYSA-N 355.344 3.672 0 1 FHAF N=c1[nH][nH]c(=NCc2ccccc2Oc2ccc(-c3ccccc3)cc2)[nH]1 1857583640 DPANAEUYJBVMOZ-UHFFFAOYSA-N 357.417 3.711 0 1 FHAF COCOc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)cnc2N)cc1 1857615000 GOYLOXFTUWLXAG-UHFFFAOYSA-N 366.417 3.998 0 1 FHAF CN1CCC[C@@H]1c1nc2cc(Nc3ccc(C(F)(F)F)cn3)ncc2[nH]1 1857762749 OZOFYBRUOXCBJA-CYBMUJFWSA-N 362.359 3.882 0 1 FHAF CCCN(c1ccncc1F)n1cc(C)c2cc(OC(=O)NC)ccc21 598070 SDDAWVZASDNIOK-UHFFFAOYSA-N 356.401 3.882 0 1 FHAF CCOC(=O)CN(Cc1sccc1C)C(=O)Nc1cccc(OC)c1 3028771 GHYGOOADYJZDTK-UHFFFAOYSA-N 362.451 3.662 0 3 FHAF CCn1c(=O)c2cc(C(=O)Nc3cc(C)on3)sc2c2ccccc21 4938985 KFIDUENNDAHGRA-UHFFFAOYSA-N 353.403 3.785 0 3 FHAF aggregator CCCn1nc2cc(C(=O)NCc3ccc(OC)cc3)ccc2c1OCC 8762968 MAEUCLAFSZSYJR-UHFFFAOYSA-N 367.449 3.784 0 3 FHAF CN(Cc1n[nH]c2c1CCCCC2)C[C@@]1(c2cccc(F)c2)CCOC1 20820793 CXFAIQCDFNHYBB-NRFANRHFSA-N 357.473 3.608 0 1 FHAF CCS(=O)(=O)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1 28217886 KUADKAGPACOLCO-UHFFFAOYSA-N 372.446 3.555 0 1 FHAF CO[C@H](Cc1scnc1C(=O)Nc1nccs1)c1ccc(F)cc1 28455338 SRZYUTXTYHREQS-GFCCVEGCSA-N 363.439 3.921 0 1 FHAF CC1CCN(c2ncc3c(n2)CCN(Cc2cc(F)cc(F)c2)C3)CC1 21039600 RGYJDLZSKWZFPY-UHFFFAOYSA-N 358.436 3.549 0 1 FHAF COc1cc2c(cc1OC)[C@H]1Oc3ccc4[nH]c(C)cc4c3CN1CC2 29569745 KPZUVZJSQLBQHD-OAQYLSRUSA-N 350.418 3.943 0 1 FHAF CCCCN(C=O)c1c(CC)nc2c(OCCn3cccc3)cccn12 61926429 IWBJWEDWMHNUGE-UHFFFAOYSA-N 354.454 3.540 0 3 FHAF CC1=C2C[C@@]3(C[N@]4C[C@H]4CNCCCCO)CC[C@@H](C)[C@@]2(CC1)C3(C)C 2356752084 CJCOYVGFGUSBGU-AITMHUHCSA-N 360.586 3.976 0 1 FHAF O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccncc1 66128896 UITBQJQWPZYMLL-FQEVSTJZSA-N 350.805 3.584 0 1 FHAF FC(F)(F)Oc1ccccc1C[C@@H](c1ccccc1)N1CCNCC1 36093230 GYZLMHZBYPNULH-KRWDZBQOSA-N 350.384 3.774 0 1 FHAF in-vitro CCC(=O)CC[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 72284374 KZHNYXAMDZEUKT-HNNXBMFYSA-N 367.445 3.645 0 1 FHAF Cc1ccc(C)c(N2CCN(Cc3coc(-c4ccc(O)cc4)n3)CC2)c1 72184884 LQDBHEPIWLVRGD-UHFFFAOYSA-N 363.461 3.986 0 1 FHAF COc1cccc(CN2C[C@]3(CC(C)(C)Oc4ccccc43)OCC2=O)c1 40379492 PMWVNEFERJUJDM-QFIPXVFZSA-N 367.445 3.511 0 1 FHAF Nc1cnc(-c2ccc(-c3ccccc3-c3cnc(N)nc3)cc2F)cn1 224824158 ZQRGXAYBPJBUEZ-UHFFFAOYSA-N 358.380 3.571 0 1 FHAF CCOc1ccc(-c2csc(NCC(=O)NCc3ccccc3)n2)cc1 82195846 IRAYZADWHSJLJY-UHFFFAOYSA-N 367.474 3.937 0 1 FHAF COC(=O)[C@H](C)C1=C([C@]2(C)CCCC(C)(C)C2)CC[C@@H]2C(=O)O[C@@H](O)[C@H]12 85803280 SDGGWXWGWPCOKT-NMAQRDEPSA-N 364.482 3.600 0 1 FHAF biogenic O=c1nc(N2CCOCC2)oc2ccc(-c3cccc4ccccc34)cc12 653714146 CCACMEAVVKCUJV-UHFFFAOYSA-N 358.397 3.845 0 1 FHAF c1ccc2sc(-c3ccc4nc(C[C@H]5COCCO5)[nH]c4c3)nc2c1 586910849 SUOBPNVXVIBEKA-ZDUSSCGKSA-N 351.431 3.798 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@H](C)NC)CC2=O 587469486 ILNNXZFQCXWCNV-FPTDNZKUSA-N 369.461 3.822 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 587194884 CPYDSMPIPHMKPJ-AWEZNQCLSA-N 351.450 3.886 0 1 FHAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587152367 ZNDRCUVYNKXINV-LBPRGKRZSA-N 361.392 3.922 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(F)(F)F)nc1C1CC1)O2 587382014 MLJJOYJJJOEAPT-OAHLLOKOSA-N 365.355 3.920 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(C)c2ccccc21 587484904 HAQGJJSFIATCGX-NRFANRHFSA-N 351.402 3.572 0 1 FHAF COc1ccc(/C(=C\N(C)C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587386813 LBTYYKSLMKGGAH-KZFLWGQDSA-N 352.434 3.522 0 1 FHAF Brc1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2n1 587016876 OYOZKKMPBBUKOF-SECBINFHSA-N 351.229 3.695 0 1 FHAF COc1cccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc12 587029671 RZMONMFQPCTSPO-UHFFFAOYSA-N 352.419 3.721 0 1 FHAF CN1[C@H]2CCC[C@@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592042 HFISLEQMTXDECI-DAMNHTQYSA-N 365.429 3.739 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(-c4cccc(F)c4)no1)[C@@H](C2)C3=O 587426503 CWGUMQCOBPMTOU-XOBRGWDASA-N 351.333 3.978 0 1 FHAF Oc1ccc(-c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)cc1 586897355 BWMVZHHMMYAMQS-UHFFFAOYSA-N 352.444 3.970 0 1 FHAF Oc1cccc(CCc2nc3cccc(I)c3[nH]2)c1 586896345 BFXCIRDMDJVNTB-UHFFFAOYSA-N 364.186 3.658 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CCC[C@@H]3C2)N1 587794446 VALIJQPIOJPIGK-NDGTYSDOSA-N 353.279 3.576 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccoc2CC[C@@H]1CC(=O)O 587485447 VULZHCQGQLWECL-XUSGNXJCSA-N 370.401 3.836 0 1 FHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238868 GXHALYNOFIYTBR-VQZRKKFQSA-N 372.469 3.513 0 1 FHAF CCOC(=O)[C@H](Cc1ccccc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397796 BAFCOYKPSIABHM-HTAPYJJXSA-N 367.445 3.723 0 1 FHAF COc1ccc(OC)c2c1CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587403567 ONRMRXWZGPNJSR-OAQYLSRUSA-N 353.418 3.791 0 1 FHAF COc1ccc2[nH]cc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2c1 962763283 JYQBSMBDWJUXBB-MSOLQXFVSA-N 374.362 3.912 0 1 FHAF CC(C)[C@@H]1CC[C@]2(C1)N[C@@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12 962645183 VKELAJAMZRPSOL-PBFPGSCMSA-N 357.372 3.836 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@]2(C1)c1c(ccc(OC)c1OC)C[C@H](C)N2C 962616639 BKWCYYBERSIMAU-PXARDIRTSA-N 361.482 3.529 0 1 FHAF CC(C)OC[C@@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186713 VNZPHNQIVLRWDF-IAQYHMDHSA-N 365.779 3.598 0 1 FHAF Oc1ccc2c(c1)[C@@]1(CCCOc3c(Br)cccc31)NCC2 963351731 IJVCYDCVOLVIRU-SFHVURJKSA-N 360.251 3.717 0 1 FHAF Nc1noc2ccc([C@H]3NC4(CC4)Cc4ccc(Br)cc43)cc12 961610261 BCNSRRJLCPLRDI-MRXNPFEDSA-N 370.250 3.940 0 1 FHAF O=c1c(-c2cccc(Cl)c2)nc2cncnc2n1Cc1ccc(F)cc1 4238432 LAXIRLJKEFYSIY-UHFFFAOYSA-N 366.783 3.694 0 1 FHAF CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27883212 XHWQHEXTSXYCEP-MFHCWRBVSA-N 352.471 3.900 0 1 FHAF COC(=O)CCNC(=O)c1cccc(OCc2ccc3ccccc3c2)c1 29223839 BZQRKXZIHSXUCP-UHFFFAOYSA-N 363.413 3.712 0 1 FHAF COc1ccc2c(c1)[C@@H](NCCN1[C@@H](C)CC[C@@H]1C)c1cccnc1CO2 22942264 WOQWGJMYJPOTGT-WCJKSRRJSA-N 367.493 3.534 0 1 FHAF CCCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OCCC)[C@@H]23)OCO5 103268954 QIXHEIOYVYXMDU-FNAHDJPLSA-N 371.477 3.617 0 1 FHAF O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCC1)CC2 27897718 IAUDPLBTMXJMKC-UHFFFAOYSA-N 355.526 3.918 0 1 FHAF CO[C@]1(C)CCC=C(C)CCC2=C(C)C(=O)OC2=C[C@](C)(O)CC[C@@H]1O 2356509997 KEFOKZIMLWOHOY-CEWLAPEOSA-N 364.482 3.561 0 1 FHAF O=C(NCc1ccco1)c1ccccc1-n1sc2ccccc2c1=O 64587495 NFIDGXKCVPWYGE-UHFFFAOYSA-N 350.399 3.575 0 1 FHAF COc1cc(-c2cn(Cc3ccccc3F)nn2)ccc1-n1cnc(C)c1 72142687 ZUOABHNIUBGGOY-UHFFFAOYSA-N 363.396 3.635 0 1 FHAF c1cc2c(cc1OC[C@@H]1CCOC1)CCC1(CCN(C3CCC3)CC1)O2 73224757 GMOSEDOBJNKJRU-QGZVFWFLSA-N 357.494 3.814 0 1 FHAF COc1ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c(CC=C(C)C)c1O 14762909 XRNDVGRKDCQXKX-HNNXBMFYSA-N 370.401 3.680 0 1 FHAF biogenic COc1c2occc2cc2c(=O)c3c(oc12)COc1cc2c(cc1-3)OCO2 13298615 MSXPSNDSSMJJME-UHFFFAOYSA-N 364.309 3.836 0 1 FHAF biogenic COc1cc(COC/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1O 35950294 WHWQODMTPANPLY-AATRIKPKSA-N 360.406 3.657 0 1 FHAF CCCC[C@@H](/C=C1/C[C@@](CO)(COC(=O)C2CCCCC2)OC1=O)CC 40395231 BVJLDIOBLWMSQO-CXUNTOSNSA-N 366.498 3.931 0 1 FHAF CCCCOC(=O)COC(=O)c1coc(-c2ccc3ccccc3c2)n1 82086438 DEWRAVZOXRIKKO-UHFFFAOYSA-N 353.374 3.995 0 1 FHAF CN1OC[C@@H]2CN(Cc3ccccc3)[C@H](c3ccc(-n4ccnc4)cc3)C[C@@H]21 199388930 PKWMNQBCLCRIQZ-PMVMPFDFSA-N 374.488 3.681 0 3 FHAF CC(=O)O[C@@H]1C[C@@]2(O)C(C(=O)O)=C(C)CC[C@H]2[C@]2(C)CCCC(C)(C)[C@@H]12 238749232 QUZURXHTHRMFJE-XQHFJLGDSA-N 364.482 3.697 0 1 FHAF Cn1cc2c(nc(NC(C)(C)C(C)(C)C)n3nc(-c4ccco4)nc23)n1 95577057 WPTOKWQRFFQUMX-UHFFFAOYSA-N 353.430 3.508 0 1 FHAF C/C=C1/CC[C@@H]2[C@H]3CC=C4[C@H](O)[C@@H](O)[C@H](C)C[C@]4(C(=O)O)[C@@H]3CC[C@]12C 621430885 HYXXWAGSSHVTHD-CNBHUNGGSA-N 360.494 3.538 0 1 FHAF COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)ccc1O 299838523 UYFFSIZTHSXSLU-UHFFFAOYSA-N 362.385 3.905 0 1 FHAF CCOC(=O)c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc12 299839187 RWQPNDRWCABJRF-UHFFFAOYSA-N 364.430 3.975 0 1 FHAF CS(=O)(=O)Nc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531612 HZTGTPPBHKIYMU-IBGZPJMESA-N 371.458 3.643 0 1 FHAF COC(=O)c1cc2nc([C@@H](N)C(C)C)[nH]c2c(F)c1Nc1ccccc1 587258424 BLKDCFJELMHVIM-HNNXBMFYSA-N 356.401 3.888 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(S(=O)(=O)CC(C)C)c1)O2 587406764 FDDBMGZXIVPOTC-LJQANCHMSA-N 373.474 3.713 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(N)CC(C)(C)C2)N1 587745078 JJQLGOGWBPMCEU-DYZYQPBXSA-N 353.279 3.980 0 1 FHAF CCn1ccc([C@@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587515907 PHUILDISLWKXMA-FYEXEBAFSA-N 365.477 3.718 0 1 FHAF Cc1cnn(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587759348 KHXBLNRKTWMXKZ-MEDUHNTESA-N 352.251 3.543 0 1 FHAF Cc1cc([C@H]2CCCN(C(=O)c3ccc4ccccc4c3)C2)n2ncnc2n1 584905442 TXIOKRWXRUIBEA-IBGZPJMESA-N 371.444 3.606 0 1 FHAF in-vitro C[C@]1(c2cncnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346882 NWVIUQIWZFPJHT-AZUAARDMSA-N 350.349 3.596 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)n1C)[C@@H](C2)C3=O 587424137 XMJAATFZFAZZIG-GTNSWQLSSA-N 351.324 3.715 0 1 FHAF CCc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1CC 587763689 LJFRDQSAOSFFHX-BTDLBPIBSA-N 366.278 3.991 0 1 FHAF CCn1nc(CC[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587432506 PUPFSTBRSGRHSJ-LPHOPBHVSA-N 362.429 3.814 0 1 FHAF CCOC(=O)[C@@]1(c2ncccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587518483 JHXYSYHGGJPWFY-QFIPXVFZSA-N 365.429 3.693 0 1 FHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 587785056 KCVLKOZBVWCZSE-VXGBXAGGSA-N 372.222 3.664 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(C(F)F)nn(C)c1Cl)[C@@H](C2)C3=O 587423282 TXBLDGBQXRXFJY-RMLUDKJBSA-N 354.740 3.508 0 1 FHAF CC(C)[C@@](C)(O)c1nc2c(Br)ccc(Br)c2[nH]1 586887249 HSAHXUZRNCHMIB-GFCCVEGCSA-N 362.065 3.951 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587232066 SJJXRLCRPHSNJB-GHMZBOCLSA-N 370.280 3.906 0 1 FHAF COc1ccc(O)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587804617 BZDWUHONEWVGLC-HUTHGQBESA-N 366.230 3.926 0 1 FHAF COc1ccccc1C[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962978528 ROMLZLCRVIZIKR-KBPBESRZSA-N 367.779 3.510 0 1 FHAF CN(Cc1coc2nc(N)nc(N)c12)c1cc(Cl)c(Cl)c(Cl)c1 5850071 DVXJBULZBVBIFK-UHFFFAOYSA-N 372.643 3.984 0 1 FHAF C[C@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1Cl)C(F)(F)F 13760215 FSMLYTJJLFECDK-INIZCTEOSA-N 371.742 3.823 0 1 FHAF COc1cc(NC(=O)/C=C/c2c[nH]c3ccccc23)cc(OC)c1OC 169350805 WMKBNDNMNQXARW-CMDGGOBGSA-N 352.390 3.846 0 1 FHAF CCN(C)C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714331 YVIDYXUZAGTSTP-OLOCUOQDSA-N 358.526 3.737 0 1 FHAF COc1ccc(COC(=O)N(c2ccccc2)[C@@H]2CN3CCC2CC3)cc1 1857544318 GEULRCAVYVOGLC-OAQYLSRUSA-N 366.461 3.933 0 1 FHAF Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3cc(C)on3)c2)on1 9228275 NJRKDNZYSOIBHI-UHFFFAOYSA-N 361.423 3.871 0 3 FHAF COc1cccc2c1[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1CC2 117398326 OSEMOEIRGCDFLV-APWZRJJASA-N 361.445 3.906 0 1 FHAF Oc1cc(O)c2c(c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2cccc[n+]21 27109089 ADHWXDCGFHSEMV-DENIHFKCSA-O 372.400 3.996 0 1 FHAF CC(C)Oc1ccc(C[C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)cc1 116197268 OYOLARFSOLGLBG-INIZCTEOSA-N 351.406 3.918 0 1 FHAF NC(=O)c1ccc(Oc2ccc3c(c2)CN(CCc2ccccc2)C3)nc1 28825018 ACAQNMZIFFSQCU-UHFFFAOYSA-N 359.429 3.531 0 1 FHAF in-vivo C[C@H]1c2c(cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@H]1C(C)(C)O 2356626408 WZXFBJOAXYOUSH-WVDJIFEKSA-N 368.385 3.507 0 1 FHAF CCCCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OC)cc2)c1=O 26186061 NQKQMDHWDKADJP-UHFFFAOYSA-N 366.417 3.662 0 1 FHAF CN1O[C@@](C)(CC(=O)Nc2ccccc2F)N=C1c1cccc(Cl)c1 74374635 WVBZHIAUMHNNAI-SFHVURJKSA-N 361.804 3.848 0 3 FHAF Cc1cc(-c2n[nH]c(-c3ccc(OCC(C)C)c(C(=O)O)c3)n2)ccn1 40391143 MOZWMBLNMHFWMY-UHFFFAOYSA-N 352.394 3.575 0 1 FHAF O=C(Cc1c(F)cc(Cl)cc1Cl)N[C@@H]1CCOc2ncccc21 146689051 ZCLQNJQWAJQDEV-CQSZACIVSA-N 355.196 3.710 0 1 FHAF Cc1noc(C)c1C(=O)Nc1ccc(N2CC[C@H](N3CCC[C@H]3C)C2)cc1 299845202 QRBMQEJZPMHHQG-KUHUBIRLSA-N 368.481 3.607 0 1 FHAF C[C@@]1(CCn2cccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345231 YWPFEBLFWASRQX-FPOVZHCZSA-N 366.392 3.936 0 1 FHAF CN1CCN(c2ccc3nc(-c4csc5ccc(O)cc45)[nH]c3c2)CC1 587032440 VUSAFIXFLRNFLK-UHFFFAOYSA-N 364.474 3.902 0 1 FHAF CCCn1cnc2cc(-c3nc4cnncc4[nH]3)cc(Br)c21 587004219 PULNHNFOCUCFEE-UHFFFAOYSA-N 357.215 3.542 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H](n4nc(C)cc4C)C1)[C@@H](C2)C3=O 587430465 GHARSDYNVTXXMZ-HZUJVAHNSA-N 352.434 3.810 0 1 FHAF CC(=O)N[C@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(C)cc1 587205494 BGLPKKDHBZBPEZ-CYBMUJFWSA-N 363.248 3.993 0 1 FHAF O=c1ccc2cc(-c3nc4c(Br)ncc(F)c4[nH]3)ccc2o1 586919009 WVNJFBLVMRQXRR-UHFFFAOYSA-N 360.142 3.633 0 1 FHAF CC(C)n1cncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587756599 SIOMNJDEEJVUDN-QFYYESIMSA-N 352.251 3.989 0 1 FHAF COc1c(F)ccc(F)c1-c1nc2c(C)c(Br)cnc2[nH]1 587132364 CRDVBRJTUZRQOJ-UHFFFAOYSA-N 354.154 3.983 0 1 FHAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587068922 FZPMZJVMSGWLKG-NSHDSACASA-N 366.812 3.569 0 1 FHAF C[C@H]1C[C@@H](C(=O)O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587828144 RSKAXNVKBAESGF-VZVWNTEVSA-N 370.262 3.839 0 1 FHAF CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587578800 BCFKSOZWBWSMDT-PXNSSMCTSA-N 350.374 3.620 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N)c(Br)c1)O2 587377160 LKOKXIRQQDGIID-KRWDZBQOSA-N 361.239 3.803 0 1 FHAF COc1ccc2nc(-c3nc4cc(C(=O)N(C)C)ccc4[nH]3)sc2c1 587034831 IAULACZKMPUTDR-UHFFFAOYSA-N 352.419 3.550 0 1 FHAF CC[C@H](C)[C@]1(C(=O)O)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962956500 LYGSVBBBUDMDRY-SGTLLEGYSA-N 371.399 3.683 0 1 FHAF Cc1cc2c(cc1C)[C@@]1(CCS2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962895281 IBHMQZDFEHYASV-PXNSSMCTSA-N 357.450 3.781 0 1 FHAF COc1cccc2cc3c(nc12)[C@H](c1cc(C)ccc1-n1cccn1)NCC3 963067153 NYVRJRYOZMOIQM-QHCPKHFHSA-N 370.456 3.973 0 1 FHAF COc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cc1 169330404 KLJACMJXBFSIJH-UHFFFAOYSA-N 369.812 3.725 0 1 FHAF CCOc1cccc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 1857590247 NRVCXNQZPYRPDB-UHFFFAOYSA-N 356.374 3.885 0 1 FHAF O=C(c1ccccc1)N1CCc2nc(COc3cccc(F)c3)oc2C1 113227787 JNBPBOVUMYBOAD-UHFFFAOYSA-N 352.365 3.591 0 1 FHAF O=C(Cc1ccccc1)N[C@H]1CCCO[C@@H](c2ccc(Cl)cc2)OC1 28826769 XWGVERUUNNCEEP-AZUAARDMSA-N 359.853 3.893 0 1 FHAF 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]1CC3 2356804166 XRRCLTQBYILCQH-GJQJJLIUSA-N 360.494 3.970 0 1 FHAF COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2=O)cc1 34055733 YHUOJWACHJLNCJ-FQEVSTJZSA-N 368.385 3.501 0 1 FHAF O=C(c1ccc(Cl)c(Cl)c1)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 74378532 COTRLQWRDRCQLZ-CZUORRHYSA-N 361.228 3.869 0 3 FHAF CC(=O)c1c(OCCN(C)Cc2ccccc2)ccc2c(C)cc(=O)oc12 71295227 PPHZDALNWGKUPK-UHFFFAOYSA-N 365.429 3.815 0 1 FHAF CCCCCOC(=O)N1N=C(c2ccccc2)NN=C1c1ccccc1 71257159 CUZVVGYTTAAUBA-UHFFFAOYSA-N 350.422 3.942 0 1 FHAF O=C(O)COc1ccc(CN2CCC[C@@H](CCc3ccccc3)C2)cc1 72153851 LOPOHGGHLQAUBC-IBGZPJMESA-N 353.462 3.995 0 1 FHAF C[C@@H](Nc1cc(-c2c(N)nn3cccnc23)ncn1)c1ccc(Cl)cc1 45256820 GGKOYZAFZZEFKZ-LLVKDONJSA-N 365.828 3.595 0 1 FHAF CC(C)=CCc1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@H](C(C)(C)O)C2 238782345 RWWAXPUDHDKOBQ-INIZCTEOSA-N 362.466 3.910 0 1 FHAF Oc1cccc(NCc2ccc(C[n+]3ccc(N4CCCC4)cc3)cc2)c1 96938860 WUPVAXMXPKNZSZ-UHFFFAOYSA-O 360.481 3.940 0 1 FHAF CC1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4C3)cc(O)c2O1 95918664 XYKFWTLYWLHTAE-ZDUSSCGKSA-N 352.386 3.900 0 1 FHAF biogenic,in-vitro Cc1nc2ccccc2n1Cc1cn(-c2ccc(C(F)(F)F)cc2)nn1 473157056 UAHRLDUFQQCKOE-UHFFFAOYSA-N 357.339 3.993 0 1 FHAF Cc1nc(Nc2nc(O)cc(-c3ccccc3)n2)nc2cc3c(cc12)OCO3 299824670 LOGDNYKAEGZCSA-UHFFFAOYSA-N 373.372 3.573 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(Br)c1)[C@@H](C2)C3=O 587414079 RQEHXRFTCQTSLH-GTNSWQLSSA-N 361.191 3.652 0 1 FHAF C[C@]1(c2cc(C(=O)O)co2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616694 LZYGXUMASXNVEH-OXJNMPFZSA-N 366.325 3.560 0 1 FHAF COC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1 587109968 YKCZNRPXNFNJES-UHFFFAOYSA-N 364.279 3.734 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ncc(Br)cc1C)[C@@H](C2)C3=O 587417808 MILLURIJOJNQQS-UGSOOPFHSA-N 374.234 3.824 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(CC2CC2)n1 587580769 JFYQOVSFLQWHOZ-GHTZIAJQSA-N 362.385 3.702 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 586938976 MEOSRHBSHQOPFI-CQSZACIVSA-N 357.479 3.924 0 1 FHAF Cc1cc(O)cc(O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608909 NJJVQRDWKMJKEB-WIYYLYMNSA-N 364.353 3.815 0 1 FHAF CCOC(=O)[C@@H](C)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587398331 DYDHZUPPKSALAI-SZNDQCEHSA-N 353.418 3.637 0 1 FHAF COc1ccc([C@@H](O)[C@H](C)c2nc3cncc(Br)c3[nH]2)cc1 587938129 STCYXUAOXLRWBF-VFZGTOFNSA-N 362.227 3.566 0 1 FHAF Cc1nsc(N)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587857553 KYEGTRGIRGLVDV-ZIDLFYJRSA-N 370.291 3.733 0 1 FHAF COc1ccc(-c2n[nH]cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441361 SMVNVMXWUDGPNM-QVKFZJNVSA-N 362.385 3.583 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(C1CC(F)(F)C1)CC2=O 587467835 URPLRXKPEKVABO-SFHVURJKSA-N 368.376 3.657 0 1 FHAF Cc1[nH]nc2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 587596709 REIXIYQYSKDKGG-PXNSSMCTSA-N 373.368 3.675 0 1 FHAF C=CC(=O)Nc1ccc(-c2nc3nc(C)c(Br)cc3[nH]2)cc1 587243304 BEBFYAQHKJNWHG-UHFFFAOYSA-N 357.211 3.820 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2F)N1 587738621 PNKGYAJNYRHEJP-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1N(C)C1CC1)[C@@H](C2)C3=O 587430071 ZPRCUWPLVNWZKG-KKSFZXQISA-N 353.393 3.922 0 1 FHAF COc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587728874 UCTYTMYPIWNCRR-AYVTZFPOSA-N 369.209 3.755 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587233125 IHBYFRPOPCQWSE-WCBMZHEXSA-N 354.813 3.911 0 1 FHAF Cc1c(O)ccc2c1[C@@H](c1ccc3ccnc(Cl)c3c1)N[C@H](C(=O)O)C2 963526278 OHBLWHIJEZGYCM-MAUKXSAKSA-N 368.820 3.591 0 1 FHAF Cn1nc2c(C=O)cccc2c1[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963127209 ZUTRXEIIRCZXJM-QGZVFWFLSA-N 360.244 3.928 0 1 FHAF COc1cc2c(cc1OC)-c1cc3c(cc1CCCN(C)CC2)OCO3 5966487 DVDWVXDGQWHIPJ-UHFFFAOYSA-N 355.434 3.520 0 1 FHAF biogenic CS(=O)(=O)c1ccc(C(=O)[C@H](Nc2nccs2)c2ccccc2)cc1 13588953 YFRPOETYTLGQHY-MRXNPFEDSA-N 372.471 3.583 0 1 FHAF Fc1ccccc1[C@H]1C[C@H](c2cccc(Br)c2)Nc2nnnn21 15866364 VBCXHDSNTHQVAH-HUUCEWRRSA-N 374.217 3.721 0 1 FHAF C[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 169354201 QITUJUVRRULAQB-WGGBDISSSA-N 373.456 3.803 0 1 FHAF O=C(CCc1ccccc1)NC1CCN(Cc2c[nH]c3ccccc23)CC1 1857632073 DPFJKOTWEVVZKH-UHFFFAOYSA-N 361.489 3.881 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)CCCC=CC[C@@H]21 253635671 ZTMJVNGXHMSKDT-HYBLSDLFSA-N 350.499 3.913 0 1 FHAF CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCNC4)no2)cc1C#N 118091049 AHSPGSWUSCHUKP-UHFFFAOYSA-N 360.417 3.708 0 1 FHAF CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCO)cc1 2483144 XVYRBNMIRWEONI-UHFFFAOYSA-N 368.408 3.993 0 1 FHAF CCc1c(Sc2cc(C)cc(C)c2)n(Cc2ccccc2)c(=O)[nH]c1=O 6424942 KVVWPXZPVSGWFT-UHFFFAOYSA-N 366.486 3.915 0 1 FHAF Cc1cc(C(N)=O)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1 58576485 YYQZSSDDXSNFOR-UHFFFAOYSA-N 361.323 3.845 0 1 FHAF CC[C@@H]1C/C=C/C[C@H](C)Oc2ccccc2C(=O)N(C)[C@@H](C(C)C)C(=O)N1 100086844 CQYQOVCXZAQFHL-USMVIVTJSA-N 372.509 3.795 0 1 FHAF CN1[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1C[C@@H]2O 100877638 NRKFYDQWSIYFGJ-YRPNKDGESA-N 359.416 3.667 0 1 FHAF O=C(CN1[C@@H]2CC[C@@H]1CC(O)C2)N1c2ccccc2Sc2ccccc21 103997664 BSAAYSOCSFOCDE-HUUCEWRRSA-N 366.486 3.804 0 1 FHAF O=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccncc1 103196532 OLBSNYAPAWFBNZ-UHFFFAOYSA-N 354.413 3.864 0 1 FHAF CC(C)=CC[C@@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27884271 WOPYURXQWMHYFG-RISVGRPXSA-N 354.487 3.691 0 1 FHAF Cc1cc(NC(=O)C(=O)c2cn(Cc3ccco3)c3ccccc23)sn1 29462897 CAJHLUMAVAWJHY-UHFFFAOYSA-N 365.414 3.869 0 1 FHAF CC(C)CC[C@]1(O)c2cc3c(O)cccc3cc2C(=O)[C@@H](C)[C@@H]1C(=O)OO 111460429 STXVCFZKJAHSFN-SVLFDBIPSA-N 372.417 3.634 0 1 FHAF biogenic Cc1c(N2C[C@H](C)C[C@@H](C)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 27553730 ZSBVMWNWLPIDHB-CHWSQXEVSA-N 354.450 3.825 0 1 FHAF O=C([C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccccc1)N1CCCCC1 72176077 OYFARCDWBWBBGC-NHCUHLMSSA-N 362.473 3.697 0 1 FHAF C[C@H]1[C@H](C)[C@H](c2cc3c(cc2O)OCO3)O[C@H]1c1ccc2c(c1)OCO2 2356557703 YDYDLBZCPHFYFA-DGZYPRGISA-N 356.374 3.934 0 1 FHAF Cc1nc(Nc2ccc(I)cc2)c2cc[nH]c2n1 27901349 RRTLMRRTMHRBRM-UHFFFAOYSA-N 350.163 3.615 0 1 FHAF C[C@@H]1[C@H](c2ccccc2)OCCS(=O)(=O)N1Cc1ccc(Cl)cc1 36383031 FMMRESAZZLWMKU-RDTXWAMCSA-N 365.882 3.632 0 1 FHAF CCCCCC(=O)NCCCN1CCC[C@@H]1CC(=O)c1c(C)cccc1O 5820107 LZFMYZNYVOKFEE-GOSISDBHSA-N 374.525 3.824 0 1 FHAF biogenic,in-vivo CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C 45316242 QFKHXFSKJAJGEQ-UHFFFAOYSA-N 354.450 3.958 0 1 FHAF COc1ccc(-c2cc3ccc(OC4CCN(C)CC4)cc3oc2=O)cc1 84713502 JWBNRVHZRBOKBQ-UHFFFAOYSA-N 365.429 3.942 0 1 FHAF Fc1ccc([C@@H](Cc2ccccc2OC(F)F)N2CCNCC2)cc1 49037072 IAMMWWXBTYJBCX-QGZVFWFLSA-N 350.384 3.616 0 1 FHAF in-vitro COc1cc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)ccc1O 96910040 UHWAAOSYXFZPBA-UHFFFAOYSA-N 357.362 3.749 0 1 FHAF CO[C@@H]1Oc2ccc3c(c2O1)CN(C)c1c-3ccc2cc3c(cc12)OCO3 238769734 BRZXFPIICBTVFX-OAQYLSRUSA-N 363.369 3.887 0 1 FHAF COc1ccc(C(=O)c2cccc(OC)c2OC)c(Br)c1 261083086 CAIODSMMVCDPCA-UHFFFAOYSA-N 351.196 3.706 0 1 FHAF COc1cccc(CC(=O)N(C)[C@@H](CN2CCCCC2)c2ccccc2)c1 621431673 VWHVPOPLIRETAE-QFIPXVFZSA-N 366.505 3.923 0 1 FHAF CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3ccccc3n2)c1 299833620 HVSFUTKMQKZMOS-UHFFFAOYSA-N 355.825 3.928 0 1 FHAF Nc1c(-c2nc3ccc(Br)nc3[nH]2)cnc2c(F)cccc12 587176752 QOCKDLDPIKQMSL-UHFFFAOYSA-N 358.174 3.657 0 1 FHAF CC1=C(c2ccc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)NNC(=O)C1 586890797 PHBSZIBEPRSGGV-BLVATGICSA-N 362.477 3.786 0 1 FHAF CN1CCN(c2ccc3nc(CCc4cc(F)c(F)c(F)c4)[nH]c3c2)CC1 587138373 JQELUHMZDZLCCM-UHFFFAOYSA-N 374.410 3.517 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OC[C@H]1CCCO1)O2 587413593 SBBYCYAVCWCPTP-VLIAUNLRSA-N 353.418 3.842 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)O2 587393421 IGNJUDYAPGCYII-LHSJRXKWSA-N 374.481 3.948 0 1 FHAF COc1cc(C)c(N)c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587249110 IWMVLGVPGZRXFA-UHFFFAOYSA-N 359.433 3.961 0 1 FHAF COC[C@]1(CC(=O)C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798238 YUZOJZSUJYSROZ-GTNSWQLSSA-N 372.278 3.579 0 1 FHAF CCn1cc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 587431167 IUTIBYFRFHFACQ-JPYJTQIMSA-N 374.440 3.911 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCc4c(OC)ccc(C)c41)[C@@H](C2)C3=O 587443633 RLMSIZDQGBYACJ-KSFYIVLOSA-N 350.414 3.991 0 1 FHAF Cc1[nH]nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587550562 XOEKALCBVIXNCT-SCLBCKFNSA-N 356.765 3.780 0 1 FHAF CC(=O)OC[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587791174 IUZXOYRHKIWRLV-BMLIUANNSA-N 372.278 3.927 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(N)ccc(OC)c1OC)CC2=O 587473366 SSHXBIMIWLPCHF-OAQYLSRUSA-N 371.433 3.825 0 1 FHAF CC[C@@]1(C2=NCCS2)N[C@H](C)Cc2cc(Br)c(F)cc21 587856572 NJZMVVFOANZACQ-RFAUZJTJSA-N 357.292 3.873 0 1 FHAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587422605 QZSKDGAOCRQYEV-MGPUTAFESA-N 372.804 3.856 0 1 FHAF N=c1cc[nH]cc1-c1nc2cc(Br)c(Br)cc2[nH]1 587249602 OXNYPBAKBFWTFS-UHFFFAOYSA-N 368.032 3.562 0 1 FHAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1C 587339838 FSVLSPXPPAZZRT-TZIWHRDSSA-N 366.392 3.848 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(O)cc(O)c2)N1 587832902 LDJIOFJRCJLVJQ-XLFHBGCDSA-N 366.230 3.797 0 1 FHAF COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426978 FTAFFSSGJVCERZ-HRAATJIYSA-N 370.376 3.732 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cnc([C@@H]2CCCO2)s1 963643208 ZMFXKMZWSWZBTR-GYOIFBIXSA-N 360.479 3.635 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1cc(Br)c[nH]1)N(C)[C@H](C)C2 962642261 ZAAKTFMXRMOGPY-BMLIUANNSA-N 365.271 3.760 0 1 FHAF COc1ccc(O)cc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772628251 ULJUWLNHGVXLHN-INIZCTEOSA-N 357.337 3.802 0 1 FHAF c1nc2ccc(-n3cnc4cnc5cnc(N6CCCCC6)cc5c43)cc2[nH]1 1772629725 BQNLSAONLCMRGJ-UHFFFAOYSA-N 369.432 3.835 0 1 FHAF O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN1C(=O)NC1CCCCC1 12638952 YVLBURNMHJRSKD-PQGQHUGISA-N 373.541 3.578 0 3 FHAF CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13584863 GPNABXAHBDYHFE-NVXWUHKLSA-N 354.947 3.633 0 1 FHAF Cc1nc2cnccc2n1-c1ccc(C2=NN(c3ccccc3)C(=O)C2)cc1 13743135 PQTSMHLLEXKMBM-UHFFFAOYSA-N 367.412 3.870 0 1 FHAF CC(C)(C)c1cc([C@H]2SCC(=O)N2CCCN)cc(C(C)(C)C)c1O 13781667 DBMKWYMGBCJOLZ-GOSISDBHSA-N 364.555 3.910 0 1 FHAF CN1CCN(c2nc(-c3ccco3)cc(-c3cc4ccccc4o3)n2)CC1 13808399 PJVFRIPYIBKTRY-UHFFFAOYSA-N 360.417 3.902 0 1 FHAF CCN(CC)c1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3 205629019 FBCUVRJBORYCPK-UHFFFAOYSA-N 353.447 3.862 0 1 FHAF CCOC(=O)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857645092 NMRAZUGLRYTABK-INIZCTEOSA-N 358.850 3.862 0 1 FHAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N1CCOCC1 4216511 IDTKPVAHRLLHRN-WOJBJXKFSA-N 374.481 3.568 0 1 FHAF O=C(CSc1nc2ncccc2o1)Nc1cccc(C(F)(F)F)c1 8605791 AUBHYNHRTXTVGV-UHFFFAOYSA-N 353.325 3.972 0 1 FHAF O=C(O)CCC1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccco1 58591423 GTQIPUVMKRSPEE-INIZCTEOSA-N 362.838 3.728 0 1 FHAF c1cnc(-n2cnc3ccc(OCc4ccc5ccccc5n4)cc32)nc1 103246008 SBACVKGISMCFQW-UHFFFAOYSA-N 353.385 3.943 0 1 FHAF C[C@@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21 2356866647 VODICXPZWAGZPJ-HSTIPLNKSA-N 350.455 3.619 0 1 FHAF CCCCCCN1CCN(c2nc3ccccc3n2CCOCC)CC1 38142548 WCXICPPUCDGOTE-UHFFFAOYSA-N 358.530 3.775 0 1 FHAF CCN(c1cc(C(=O)Nc2ccc(O)cc2C)ncn1)C1CCCCC1 49049484 ZNFTXQFGUIKQQE-UHFFFAOYSA-N 354.454 3.902 0 1 FHAF COc1cnc2c(Nc3cccc([C@@]4(C)COCC(N)=N4)c3)cccc2c1 143072070 IGUZINVHWNCBIH-OAQYLSRUSA-N 362.433 3.590 0 1 FHAF O=C(C1CC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95878288 CFOGSURRWQCXSO-DUXKGJEZSA-N 366.436 3.579 0 1 FHAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C3=CCCC3)[nH]c2c1 586884983 RXYXBEPKUCCIRI-UHFFFAOYSA-N 369.446 3.940 0 1 FHAF CCn1cc(Br)c(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)n1 587000389 NBGLINZILOFHJK-UHFFFAOYSA-N 374.164 3.546 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccc(O)cc2)N1 587836233 ZWZXZOYGPOHFIY-ABKXIKBNSA-N 364.214 3.752 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587042521 LDXKAONGDCGODV-QMMMGPOBSA-N 359.282 3.885 0 1 FHAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c2ccc(F)c1F 587503131 CSHLQFIQLRUBLU-HXUWFJFHSA-N 355.340 3.656 0 1 FHAF Nc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1N 587116411 VTZCBPKRUMKKJG-UHFFFAOYSA-N 372.148 3.571 0 1 FHAF CC[C@]1(C2CCNCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593933 JNADWKZPIFLHQH-GHTZIAJQSA-N 353.418 3.502 0 1 FHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587070535 PDJORDRCIAOTOG-ZDUSSCGKSA-N 357.841 3.663 0 1 FHAF COc1cc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cc(Cl)c1O 587046625 YQWMDLAVIYATRO-UHFFFAOYSA-N 361.829 3.538 0 1 FHAF COc1cc(OC)c(OC)cc1C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399943 NUJYNIWBGULHAY-OAQYLSRUSA-N 371.433 3.570 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1c(F)cccc1-n1cccn1)[C@@H](C2)C3=O 587423998 MYGJYBFIVHZGLM-QKKBWIMNSA-N 364.376 3.683 0 1 FHAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)C2 586886138 OJEUALBMXAYMQM-BIIVOSGPSA-N 356.735 3.616 0 1 FHAF O=C(CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(F)cc1 587163271 OMZGJQBTQCNCNS-UHFFFAOYSA-N 352.344 3.842 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)O)o2)N1 587825914 BYMHOHYOYBEMIT-ZKANADHPSA-N 368.202 3.677 0 1 FHAF FC(F)(F)c1nc(Cl)[nH]c2nc(CCOCc3ccccc3)nc1-2 587565753 JQRHWCRXPXNRLG-UHFFFAOYSA-N 356.735 3.736 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3ccccc3cc2[nH]1 587230225 GSMLOSHFDPZBAV-DLBZAZTESA-N 351.450 3.753 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cccnc1N)O2 587384368 KWRXMIZPNXPFQL-NRFANRHFSA-N 363.392 3.603 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](n1ccnc1)[C@H]2O 5543064 RXLJNRSVCPVTJX-WDRNGCIXSA-N 356.510 3.719 0 1 FHAF O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCn1ccnc1 13600478 NVXXUMBQIPZYQZ-UHFFFAOYSA-N 364.836 3.537 0 1 FHAF CN(C)C[C@@H]1c2ccoc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 13737725 YLMLDRNBBXPIIN-MRXNPFEDSA-N 367.276 3.817 0 1 FHAF Fc1cccc(F)c1COc1cncc(-c2cnn(C3CCNCC3)c2)c1 1857769960 JLXBHAOFRSCKGN-UHFFFAOYSA-N 370.403 3.727 0 1 FHAF CCOc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1ccc(C)cc1 2472465 ZYXUZKQEGCSOKR-VQIMIIECSA-N 373.474 3.761 0 1 FHAF Cc1ccc(CNC(=O)[C@]2(CC(C)C)C=CCN2C(=O)c2ccccc2)o1 7992732 ILMHCVHOTNVPAI-JOCHJYFZSA-N 366.461 3.701 0 1 FHAF O=C1CSC(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)=N1 73296409 SCKMFGVJIOSCPI-INIZCTEOSA-N 357.385 3.745 0 1 FHAF Nc1ncc(Cl)nc1CNC(=S)Nc1ccc(Cl)cc1Cl 71296073 HJUJLSBWLJBWSR-UHFFFAOYSA-N 362.673 3.506 0 1 FHAF O=C(c1ccc(Cl)cc1Cl)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 74377674 OAOJKNYWNGHRMK-GDBMZVCRSA-N 361.228 3.869 0 3 FHAF CCOC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49111114 ZVZRZJBJTSLCRZ-INIZCTEOSA-N 358.221 3.754 0 1 FHAF Cc1cn(CCCn2c(=S)[nH]c3sc4c(c3c2=O)CC[C@H](C)C4)cn1 138362615 PYQINQYKRFNEDD-NSHDSACASA-N 374.535 3.841 0 1 FHAF CCN(C)Cc1ccc(C[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40914509 LQLHQUVZQVHQBV-SFHVURJKSA-N 353.462 3.753 0 1 FHAF CCCC[C@@H](CC)C(=O)OC[C@]1(CO)C/C(=C/c2ccccc2)C(=O)O1 40423507 VCZRUDXIQKKRLT-YWLMLEGGSA-N 360.450 3.508 0 1 FHAF COc1cnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1 224551228 AAXKAKNHLYCZAD-UHFFFAOYSA-N 367.384 3.723 0 1 FHAF O=C1N(Cc2ccc(Br)cc2)c2ccccc2[C@@]12CCCN2 95585945 TWXFVGOOTHIBLU-SFHVURJKSA-N 357.251 3.575 0 1 FHAF CN(C)CCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@H]1c1ccccc1 299848376 DHYKOXYIUQYOKQ-LNRSPMNRSA-N 374.532 3.606 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccs1 587869546 MBVGMMYLIXLJPC-UHFFFAOYSA-N 353.325 3.723 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OC(C)=O)CC2=O 587485097 ZDAZCMOHILPGLB-IBGZPJMESA-N 370.401 3.985 0 1 FHAF CCOC(=O)C[C@@]1(c2ccccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440393 GSPIEZISOBLWES-VGSWGCGISA-N 366.413 3.600 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ncccc1C2 587590361 ZLQSZUFTQUWVBX-SIKLNZKXSA-N 359.381 3.677 0 1 FHAF N=c1[nH]c(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615988 YHLGGNCPZZAHSV-SMDDNHRTSA-N 374.805 3.618 0 1 FHAF CCCCCNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869805 SEDPIFCGCYCLNZ-UHFFFAOYSA-N 372.416 3.885 0 1 FHAF Cc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1F 587197477 PKTIRVIVMHRPED-ZDUSSCGKSA-N 363.433 3.927 0 1 FHAF Nc1ccc(-c2ccc3nc(C(F)(F)c4ccccn4)[nH]c3c2)cc1N 587089468 DNSCTDMVDWBUDB-UHFFFAOYSA-N 351.360 3.929 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)COC(C)(C)O4)[C@@H](C2)C3=O 587455257 LBGMOFOGPFMHAJ-MGPUTAFESA-N 352.386 3.829 0 1 FHAF COc1ccc(-c2cccc(-c3nc4cccc(C(N)=O)c4[nH]3)c2)cc1O 587785570 CCXUEAGTOYMOJX-UHFFFAOYSA-N 359.385 3.710 0 1 FHAF COCCOc1cccc(F)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587382155 OUKGGNTZWGYRJQ-FQEVSTJZSA-N 359.397 3.622 0 1 FHAF COc1cc2c3c(c1)O[C@H](C(C)(C)CN(C)Cc1ccccc1)[C@@H](C2)C3=O 587430113 RHTKWEFZCZTFFN-AVRDEDQJSA-N 365.473 3.969 0 1 FHAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(-n3cnnn3)cc2[nH]1 587067464 BLUBIVHKHSGDCZ-LLVKDONJSA-N 354.801 3.640 0 1 FHAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O 587808534 QNCNFJLFHYCLSE-XYZCENFISA-N 366.230 3.926 0 1 FHAF Cn1cc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587342893 QIPBOGKRMZCXJG-PZJWPPBQSA-N 366.392 3.625 0 1 FHAF Cc1c(Br)ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c12 587151869 WCXGHYJQWFYTSP-ZDUSSCGKSA-N 352.182 3.960 0 1 FHAF FC(F)(F)c1nn(Cc2nc3cncc(Cl)c3[nH]2)c2c1CCCC2 587119584 FGXWGWTXOSSTLK-UHFFFAOYSA-N 355.751 3.754 0 1 FHAF CN1C(=O)C[C@H]2CN[C@@](C)(c3cccc(N4CCCC4)c3)c3cccc1c32 963021370 GRBRPLXVPZQBAV-HJPURHCSSA-N 361.489 3.604 0 1 FHAF CC(C)(CC12CC3CC(CC(C3)C1)C2)NC(=O)CC[C@@]1(C)CCC(=O)N1 11784036 XIUUMXPUWKNBBH-QFEQRGIUSA-N 360.542 3.937 0 1 FHAF CCc1nn(Cc2ccc(NC(=O)C(C)(C)C)cc2)c(CC)c1CC(=O)O 168890358 AHPMPHNIHPXAMN-UHFFFAOYSA-N 371.481 3.668 0 1 FHAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N3CCCC3)sc2n1 753911 YOKRXBLOVLUCPL-UHFFFAOYSA-N 358.511 3.780 0 1 FHAF O=S(=O)(c1ccc2[nH]c(-c3ccccc3)nc2c1)N1CCCCCC1 2467979 YOPYWLLSURYZRF-UHFFFAOYSA-N 355.463 3.795 0 1 FHAF CN(C(=O)CCCOc1ccc2c(c1)SCC(=O)N2)C1CCCCC1 26822616 WXUAQHXGHQYANB-UHFFFAOYSA-N 362.495 3.681 0 1 FHAF CC(=O)c1cccc(NC(=O)[C@H]2Cc3c(-c4ccccc4)ccnc3O2)c1 61903613 HUNODKXGGXDFGY-HXUWFJFHSA-N 358.397 3.893 0 3 FHAF COc1ccc(-c2ccc3c(c2)N(Cc2ccccc2)C(=O)COC3)cn1 74374772 QJMBIWAPEXTARY-UHFFFAOYSA-N 360.413 3.821 0 3 FHAF COc1cc2c(cc1O)[C@@H]1[C@H](C)c3ccc(OC)c(OC)c3CN1CC2 13408567 UABBYTGYXLXVNA-ODXCJYRJSA-N 355.434 3.635 0 1 FHAF biogenic CCOC(=O)C1CCN(Cc2coc(-c3ccccc3OCC)n2)CC1 72186272 GXWVCMFMZUFVQV-UHFFFAOYSA-N 358.438 3.515 0 1 FHAF CCC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccccc1 49066649 WKGDYILXLKDNKX-JOCHJYFZSA-N 351.446 3.744 0 1 FHAF COc1cc2nc(N3CCCC3)nc(NC3CCCCC3)c2cc1OC 82119563 AMFZVKRRXCYNPN-UHFFFAOYSA-N 356.470 3.992 0 1 FHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2(C)CC2)cn1 143253803 KSAAGOBJZYTCDG-UHFFFAOYSA-N 363.417 3.906 0 1 FHAF C[C@H]1CCCN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)[C@@H]1C 96283037 OIKKWZUQICZOOT-NWDGAFQWSA-N 359.451 3.876 0 1 FHAF CNc1ccc(-c2nc3cc(OCCOCCOCCF)ccc3o2)cc1 95571632 UZMQIGLCNLQYDJ-UHFFFAOYSA-N 374.412 3.918 0 1 FHAF Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565462 ATEYHIRZVVZYKA-UHFFFAOYSA-N 351.853 3.807 0 1 FHAF O=C(NC1CCCCCC1)c1cn2c3c(cccc3c1=O)OC[C@@H]2C1CC1 95552032 MABUNEOPQJBFKT-GOSISDBHSA-N 366.461 3.798 0 1 FHAF CC(=O)Nc1cccc(N=c2[nH]c(Nc3ccccc3)ncc2Cl)c1 621431712 YURBRIGTAFPRRS-UHFFFAOYSA-N 353.813 3.998 0 1 FHAF CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccncc3)o2)C[C@H]1C(C)C 35442778 QSHPWNBASOFNSR-FHWLQOOXSA-N 368.481 3.665 0 1 FHAF biogenic CC(=O)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587813138 BGFFJVZTPVPFHC-ADLMAVQZSA-N 362.242 3.955 0 1 FHAF CCOc1ccc(O)n1C[C@@H](c1cccc(Br)c1)N(C)C 587941710 VTSPZFUOCPORBP-AWEZNQCLSA-N 353.260 3.658 0 1 FHAF COC(=O)[C@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809665 SKXLSSYSAWOWKU-MGPLVRAMSA-N 358.251 3.537 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C1CCN(C(=O)OC(C)(C)C)CC1)O2 587392732 CNLUDUOYIXPFOU-NRFANRHFSA-N 374.481 3.948 0 1 FHAF Cn1cc(-c2ncc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)s2)cn1 587021568 LOOQXCXMBSOHCK-UHFFFAOYSA-N 353.304 3.643 0 1 FHAF C[C@H](CCC(=O)O)Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587961166 PVYXUGYMNDVSAB-SSDOTTSWSA-N 351.275 3.655 0 1 FHAF Cn1nc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495776 FOOANYMLEKWJRK-OAHLLOKOSA-N 361.239 3.768 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)c(Cl)c2)N1 587693734 FFZOWPFSNWCKCZ-UOWDBTKRSA-N 371.637 3.966 0 1 FHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587925495 BQQIJLWYHZCOCL-LLVKDONJSA-N 358.369 3.959 0 1 FHAF CCCc1nc(-c2nc3cc(OC)ccc3[nH]2)nn1-c1ccccc1F 587157265 ZELWWPJCMBPLTM-UHFFFAOYSA-N 351.385 3.911 0 1 FHAF COC(=O)C[C@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587376497 DHCZVLDTQWDDMW-IBGZPJMESA-N 359.809 3.654 0 1 FHAF Cc1c(Br)cnc2[nH]c(/C=C/C(=O)Nc3ccccc3)nc12 587244547 PCSXIXNSSBKXQX-BQYQJAHWSA-N 357.211 3.681 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3nc[nH]n3)o1)CC2=O 587489454 CMEFUPBGQDSTOI-HNNXBMFYSA-N 371.418 3.914 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(C[C@H]3CCc4occc4C3=O)nc2c1 586907014 ISQLFDNKMSGHQG-SECBINFHSA-N 358.781 3.584 0 1 FHAF Fc1cccc(Cn2nnc(-c3nc4cc(F)cc(F)c4[nH]3)c2Cl)c1 587160327 BBSSYESCOWZSQR-UHFFFAOYSA-N 363.730 3.940 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=N)N)cc1)CC2=O 587469087 HTKCNDMDRVCBOP-HXUWFJFHSA-N 353.422 3.531 0 1 FHAF COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OCCC(C)C 587560240 YUKLZNZPUVFLOK-UHFFFAOYSA-N 355.394 3.537 0 1 FHAF N=c1ccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c[nH]1 587254241 XMSJCYZBQHZLRH-UHFFFAOYSA-N 360.261 3.999 0 1 FHAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 586950188 RIZIPKZZCBACEE-UHFFFAOYSA-N 370.261 3.832 0 1 FHAF CCOc1ccccc1[C@@](N)(c1nc2cccc(OC)c2[nH]1)C(F)(F)F 587093615 WCFWSOITNNVOLB-QGZVFWFLSA-N 365.355 3.735 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(SC)cc2[nH]1)C(C)C 586932854 JYJRORUHMRSEQA-HNNXBMFYSA-N 355.529 3.701 0 1 FHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc3c(cc2[nH]1)OCO3 587201568 SLYALGWTTAMEKV-UHFFFAOYSA-N 361.442 3.873 0 1 FHAF COc1cc2c3c(c1)OC1(CCN(c4ccccc4F)CC1)[C@@H](C2)C3=O 587426438 NQMXTQHNEWXNFS-HNNXBMFYSA-N 353.393 3.621 0 1 FHAF O=C(O)COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587520462 BYKSVZLHTBRKIH-LJQANCHMSA-N 352.386 3.735 0 1 FHAF COc1ccc([C@]2(c3ccco3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587457082 ZJVOKEHMATWIJT-VGSWGCGISA-N 362.381 3.988 0 1 FHAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CCOC5)[nH]c4c3)o2)cc1 586912415 RPLDHTRFXNYPSV-CQSZACIVSA-N 362.389 3.792 0 1 FHAF COc1cc(OC)c([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c(OC)c1 963097395 DZIUXNMAULRKEK-VFNWGFHPSA-N 357.425 3.961 0 1 FHAF COc1ccc2c(c1OC)[C@@]1(CCc3ccc4c(c31)CCO4)N(C)[C@H](C)C2 962619580 DSKUOGYLLPIPNL-FATZIPQQSA-N 365.473 3.705 0 1 FHAF CC[C@@H](N[C@@H](C)CO)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 1772635252 AMNLKVFPQJHGHN-XHDPSFHLSA-N 350.821 3.527 0 1 FHAF CCOc1n[nH]c2cc(NC(=O)N[C@H](CSC)c3ccccc3)ncc12 1772611849 NOTBJDZGVGVSOC-OAHLLOKOSA-N 371.466 3.582 0 1 FHAF CN(CCC1CCN(C(=O)c2ccccc2)CC1)C(=O)c1ccccc1 13745774 VFDIQCGTVFCDDE-UHFFFAOYSA-N 350.462 3.701 0 1 FHAF CC(=O)O[C@@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2Cc3occc3[C@H]3C(=O)O[C@@H]1[C@@H]32 169652630 VBQFNMXWLYRLKA-FGLPOQTRSA-N 372.461 3.855 0 1 FHAF CC(=O)COC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)cc1 1857591366 ZXRBEZSGGZYFNO-UHFFFAOYSA-N 365.385 3.975 0 1 FHAF Cc1ccc(-n2cnnc2-c2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1 1857610124 WSJAPPMZVLWPFU-OAHLLOKOSA-N 373.460 3.576 0 1 FHAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@]13CC[C@H](C4=CC(=O)OC4)[C@@](C)(CC[C@H]12)C3=O 2356446054 WLKITKZNBMSWFH-XWRBFHOASA-N 372.505 3.813 0 1 FHAF COCCCNC(=O)CCc1cn(Cc2ccccc2)c2ccccc12 3026109 HYHLTXNHXRKPRZ-UHFFFAOYSA-N 350.462 3.775 0 1 FHAF Cc1nc(C)c(Cc2nc3c(F)c(F)cc(F)c3s2)cc1CC(=O)O 3942603 SGWFOCMKXJYHKO-UHFFFAOYSA-N 366.364 3.943 0 1 FHAF in-vitro CC1=C(C(=O)OC(C)C)[C@H](c2cncs2)N2C(=N1)Nc1ccccc12 1911576502 KRSQZHKUOHYYOO-INIZCTEOSA-N 354.435 3.712 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3cccn3C)cc2)C[C@H]2CC[C@H]1N2C 100875761 NXORNPDSIJCZRC-VURPSTOHSA-N 352.478 3.822 0 1 FHAF O=C(Nc1cc(F)ccc1F)c1cnn2c1NC(=C1CC1)C=C2C(F)F 103117391 FTLHUAVVOHPWRC-UHFFFAOYSA-N 364.302 3.993 0 1 FHAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(-c2ccco2)c1 28364768 LJLYXPGAZNAKEV-UHFFFAOYSA-N 350.418 3.803 0 1 FHAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(C(F)(F)F)cc1)CN32 100912773 DDASMJFFKOSRQN-YWVMLRBPSA-N 351.368 3.745 0 1 FHAF CC(=O)C[C@H](O)CC(=O)[C@@H]1OC(=O)CCCCCCCCc2ccccc21 61959202 SAOZMKNZDLVYHG-PGRDOPGGSA-N 374.477 3.857 0 3 FHAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccccc4F)C[C@H]3F)[nH]c2c1 2356727917 XOIJTMCOMJXNLM-VQIMIIECSA-N 357.404 3.750 0 1 FHAF CN[C@@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C 2356739025 VKFMRYVPGACJBB-WKFDNFFWSA-N 374.613 3.941 0 1 FHAF CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ncccc4F)c3)cnc2n1 28571302 ILFZZMYJRPZIPF-UHFFFAOYSA-N 366.371 3.964 0 1 FHAF CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccn1 224881423 DQUXVVWCJGWORL-UHFFFAOYSA-N 361.401 3.985 0 1 FHAF Fc1ccccc1[C@H](Cc1ccccc1OC(F)F)N1CCNCC1 49035908 FCEXIPULXFOGIW-KRWDZBQOSA-N 350.384 3.616 0 1 FHAF in-vitro CCCS(=O)(=O)Nc1ccc(F)c(-c2ccc3ccncc3n2)c1F 84603913 TVEYWOZQKCNYKF-UHFFFAOYSA-N 363.389 3.727 0 1 FHAF COc1ccc(-c2cnc3c(N4CCSCC4)snc3c2)cc1OC 223286266 GUJGKJXOGPAKDT-UHFFFAOYSA-N 373.503 3.929 0 1 FHAF CC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C[C@H]1C 144383554 LJJAHPHAPWPSHP-HBGVWJBISA-N 371.502 3.972 0 3 FHAF CCNC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 98085207 BQWMLHMOZSVPKK-FEPXJFPZSA-N 360.542 3.602 0 1 FHAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@H]([C@H](C)C(=O)NC(C)(C)C)C2 25206534 JPSQRORSWLYHIK-WMZOPIPTSA-N 374.569 3.900 0 1 FHAF biogenic COc1cc2c(cc1OC)[C@H](C(=O)c1ccc3occc3c1O)CCO2 238776233 LNFFPTUYVDSHPV-LLVKDONJSA-N 354.358 3.905 0 1 FHAF CN1C[C@@H]2C[C@H]1CN2CCCCC(=O)Nc1ccc(-c2ccccc2)cc1 299859164 HSTSNSMFLYSBNP-VXKWHMMOSA-N 363.505 3.851 0 1 FHAF COc1ccccc1-c1cncc(-n2cc(-c3ccc(C(=O)O)cc3)nn2)c1 2382222727 KXPJBOLHNKWVPH-UHFFFAOYSA-N 372.384 3.703 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(OC)c1N)CC2=O 587473089 PSYHULXTVYYHED-OAQYLSRUSA-N 371.433 3.825 0 1 FHAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(-n3cnnn3)cc2[nH]1 587061376 FUQHNSQSDQZBEQ-HNNXBMFYSA-N 354.801 3.722 0 1 FHAF COc1cc(C)c(OC)n1C[C@H](c1cccc(Br)c1)N(C)C 587941746 VXZUYBIIGVBSOE-OAHLLOKOSA-N 367.287 3.879 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn([C@H](C)C(=O)O)c3ccccc13)O2 587389336 HMZASEMZGJIAMB-BLVKFPJESA-N 364.401 3.884 0 1 FHAF CCOC(=O)[C@H]1[C@H]2c3nc4cccc5c4c(c3C[C@H]21)-c1ccccc1C5=O 587107151 PROLHSMQECSOFT-VOBQZIQPSA-N 355.393 3.895 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)C=C2Cl)N1 587704944 LOEDHORGMLSNTA-RFAUZJTJSA-N 357.654 3.857 0 1 FHAF Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c2c(C)noc2n1 587873924 PWXMMTQHKMIGNB-UHFFFAOYSA-N 350.309 3.636 0 1 FHAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(F)cnc3[nH]2)cs1 587019176 JNFMHVOWMJZLAR-UHFFFAOYSA-N 368.397 3.788 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(Cl)nc1Cl)[C@@H](C2)C3=O 587419231 DEESRWSOAPEPLC-MADCSZMMSA-N 371.607 3.934 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(C)c(C)c4)c1)[C@@H](C2)C3=O 587433420 XTJWFHATFANCRQ-PGRDOPGGSA-N 360.413 3.986 0 1 FHAF Cc1cc2c(n1-c1nc(N3CCCCC3)ncc1F)CC(C)(C)CC2=O 587944612 HGYWEKXEBGPPSB-UHFFFAOYSA-N 356.445 3.860 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1N)[C@@H](C2)C3=O 587417133 IXUXPQSAJVXXNK-YVEFUNNKSA-N 360.207 3.529 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1F 587555189 FULWODBWOVRBIB-XLIONFOSSA-N 352.317 3.940 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1csc(N(CC)C(C)=O)n1)CC2=O 587494978 MWHXKWSYGYPSMV-KRWDZBQOSA-N 374.462 3.881 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1coc4c(C)cc(C)cc4c1=O)[C@@H](C2)C3=O 587454645 VGIFLFLBPUGJHC-OYHNWAKOSA-N 362.381 3.907 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(Br)cc1F)O2 587384137 AZGLQCZZBZUWON-INIZCTEOSA-N 365.202 3.754 0 1 FHAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587774578 WQMRGBGGWCMPJO-JDNHERCYSA-N 351.219 3.615 0 1 FHAF C[C@]1([C@@H]2CCOC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962961546 VJDPRNNHUWQLHA-RHSMWYFYSA-N 355.400 3.609 0 1 FHAF Nc1nc(N)c2cc([S@@](=O)c3cccc(-c4ccccc4)c3)ccc2n1 169315072 RUOCZUYNXMPQPK-SANMLTNESA-N 360.442 3.628 0 1 FHAF COc1ccc(CCNc2cc(-c3ccc(F)cc3)nc3ncnn23)cc1 1772654894 GZVYAFSCHJNWJX-UHFFFAOYSA-N 363.396 3.594 0 1 FHAF NC(=O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1 164838935 NIRFNOJTUGHNDO-UHFFFAOYSA-N 374.375 3.720 0 1 FHAF Cc1cc(OCCCOc2cccc(Cl)c2)ccc1OCC(=O)O 1857653242 GCPFTBDUNDYKTR-UHFFFAOYSA-N 350.798 3.960 0 1 FHAF Fc1ccc(CO[C@H](Cn2cncn2)c2ccc(F)cc2F)c(F)c1 1857773992 CTQFQICKAGORIA-QGZVFWFLSA-N 351.303 3.793 0 1 FHAF CC(=O)N[C@H](C)c1ccc2nc(N3CC(Oc4cccc(C)c4)C3)oc2c1 584591153 WHZUKZRGOSZNFR-CQSZACIVSA-N 365.433 3.601 0 1 FHAF O=C1CN(C(=O)C2CCCC2)[C@H](c2ccccc2)c2cc(F)ccc2N1 2456631 JOIKUPVEFYHDFR-HXUWFJFHSA-N 352.409 3.886 0 1 FHAF Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NC4CC4)cc32)c1 3638702 GUBATUVQWXYTGG-UHFFFAOYSA-N 366.486 3.835 0 1 FHAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(C)cc1)c1ccco1 103192375 DJANDRHQWDGSAS-MRXNPFEDSA-N 354.295 3.695 0 1 FHAF CCOC(=O)CCCCCCN1N=C2c3ccccc3CC[C@@H]2CC1=O 103301557 VOFYTYUAEYGJMN-QGZVFWFLSA-N 356.466 3.699 0 1 FHAF CCOC1(OCC)[C@H]2c3cccc(OC)c3[C@@H]([n+]3ccccc32)C1(C)C 100714975 HMIGSSGDKYOUFK-VQTJNVASSA-N 354.470 3.827 0 1 FHAF O=S1(=O)C[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)C1 103278845 XDDLYWOSAJDFKL-IYBDPMFKSA-N 356.274 3.794 0 1 FHAF CC(=O)/N=c1/c(-c2c(Cl)cccc2Cl)cc2cnc(C)nc2n1C 27412311 ONUUKGFJIPWWPJ-XLNRJJMWSA-N 361.232 3.698 0 1 FHAF Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C[C@H](N(C)C)CC3)cc1 60325491 DEZPWQOAHILRIP-MRXNPFEDSA-N 368.502 3.606 0 1 FHAF COc1c(-c2ccc(O)cc2)oc2c3c(cc(O)c2c1=O)O[C@H](C)C3(C)C 14825103 QJGHPSMBMKFFEE-SNVBAGLBSA-N 368.385 3.938 0 1 FHAF biogenic CN(C)CC(C)(C)CNCc1coc(-c2ccc(Br)cc2)n1 72185199 FGRXQNZQLVOUMM-UHFFFAOYSA-N 366.303 3.782 0 1 FHAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)NCc2ccccc2)c1 82146640 NSVRVBROVKMZBS-UHFFFAOYSA-N 372.472 3.982 0 1 FHAF O=C(O)c1cn(Cc2ccc(-n3cccc3)cc2)c2cccc(F)c2c1=O 45374312 AKWUSVGOXKETFG-UHFFFAOYSA-N 362.360 3.678 0 1 FHAF N[C@H](COc1cncc(CCc2ccncc2)c1)Cc1c[nH]c2ccccc12 45298533 PDLRPFXSDYPMIA-FQEVSTJZSA-N 372.472 3.692 0 1 FHAF Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1CCC1CC1 146781248 LIZLWUTUDPLXHS-UHFFFAOYSA-N 363.457 3.690 0 1 FHAF CCc1[nH]c(C(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1ccccc1 95581231 BRNTVXVCESNMPN-UHFFFAOYSA-N 366.417 3.896 0 1 FHAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 587026775 HYJOLTSRNXLEDV-MRXNPFEDSA-N 353.407 3.902 0 1 FHAF C[C@@H]1CN(C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347726 UPPNZMFDJFULLG-YIILKADPSA-N 355.409 3.601 0 1 FHAF CCOC(=O)CCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599567 XXPPNIYANSARKR-NQIIRXRSSA-N 370.401 3.846 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H]3CC[C@H]2N3)[C@@H]1c1ccc(F)cc1 587353437 ZGPGMWQREAVGAJ-RIYQWJRFSA-N 353.393 3.543 0 1 FHAF COc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)c(Cl)n1 587086021 BUDCVRFPIHNXLD-UHFFFAOYSA-N 354.591 3.755 0 1 FHAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cnccc3[nH]2)c1 587154127 JMYXGNPBAQXDCU-UHFFFAOYSA-N 368.393 3.565 0 1 FHAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1CCF 587557758 SSZLJARTSCVPGR-PXNSSMCTSA-N 368.364 3.570 0 1 FHAF COc1cc(/C=C/c2nc3cnnc(O)c3[nH]2)cc(Cl)c1OCC(C)C 587046931 PKSKYPDXHKOIGJ-SNAWJCMRSA-N 374.828 3.926 0 1 FHAF Cn1ncc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 587584228 ZACKCWHTBDTBQF-PGRDOPGGSA-N 372.380 3.982 0 1 FHAF CN1CCN(c2ccc3nc(COC/C=C\c4ccccc4)[nH]c3c2)CC1 587781533 WLESNRIFZYUMLN-YVMONPNESA-N 362.477 3.545 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12Cc1ccccc1C2=O 587604714 VLFKLPDIOQZPDV-PGRDOPGGSA-N 358.349 3.532 0 1 FHAF Cc1c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)oc2c1[C@H](O)CCC2 586905617 VWJUZFDGTORXAC-OAHLLOKOSA-N 352.369 3.826 0 1 FHAF CCc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587774638 NEITVFWMMSNDOP-FVMDXXJSSA-N 350.235 3.564 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCC(=O)O)N1 587828281 OLMOJPSRPYTLEW-QFYYESIMSA-N 358.251 3.983 0 1 FHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cncc(Cl)c3[nH]2)C(F)(F)C1 587132267 OTWZSUXQSGBABW-QMMMGPOBSA-N 358.776 3.581 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(F)cc1)CC2=O 587465216 BFLJWINHCMVSJI-OAQYLSRUSA-N 372.392 3.908 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2nccn2c1 587589541 XVPSBSMHJNMILZ-RXVVDRJESA-N 358.353 3.743 0 1 FHAF C=C1Nn2c(nc(C(C)C)c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)S1 587454709 ZXEJTTKSOXMHBT-KZULUSFZSA-N 369.446 3.624 0 1 FHAF COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 587771475 LWHUUOMDMJOEBM-BMLIUANNSA-N 365.246 3.790 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(SC)nc2NC)N1 962950706 SKEXAMDIQKVBNC-PIGZYNQJSA-N 353.495 3.735 0 1 FHAF CC(C)[C@@H]1CC[C@]2(C1)N[C@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962638862 NSBDTLGVKODTQY-XQAQDONZSA-N 357.372 3.836 0 1 FHAF FC(F)(F)c1cccc(-c2nc(NC3CCC3)nc(NC3CCC3)n2)n1 223136748 PVIJXHIYMYVGOF-UHFFFAOYSA-N 364.375 3.881 0 1 FHAF CC[C@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1ccncc1 12302952 MEHURYHTGUGDFZ-INIZCTEOSA-N 373.359 3.808 0 3 FHAF CN(C(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C)c1ccccc1 13470198 JETPGMSWLKMQAI-CTNGQTDRSA-N 351.450 3.691 0 1 FHAF COC(=O)NCCc1c(C(=O)c2ccc(Cl)cc2)[nH]c2ccccc12 1857534649 VHBWJOONLBEIKO-UHFFFAOYSA-N 356.809 3.951 0 1 FHAF Cc1nc2cccc3c2nc1N[C@H](C)C=CC[C@H]1CNC(=O)c2cc-3[nH]c21 1857627595 DDQXBYGNFGPJRL-YPMHNXCESA-N 359.433 3.521 0 1 FHAF C[C@]1(C(=O)NCCc2ccccc2F)CON=C1c1cccc(Cl)c1 772711 CDYYCPUXYGWWNK-IBGZPJMESA-N 360.816 3.579 0 1 FHAF C[C@@]1(C(=O)NC2CCCCCC2)CCN1C(=O)C1(c2ccccc2)CC1 61927266 DZSHVIOAMQPGBN-NRFANRHFSA-N 354.494 3.548 0 3 FHAF CN1CCN(C(=O)c2cccc3c(-c4ccc(F)c(F)c4)coc23)CC1 61896320 ACGLXQOMPTUDHH-UHFFFAOYSA-N 356.372 3.766 0 3 FHAF O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NC1CC1 43078226 AERMIKFZAAQFKH-UHFFFAOYSA-N 358.526 3.547 0 1 FHAF CC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C[C@@H]1C 195410679 LJJAHPHAPWPSHP-NDXORKPFSA-N 371.502 3.972 0 1 FHAF CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCc2ccccc21 84669451 WJPODXNCZRPNIO-LEWJYISDSA-N 363.457 3.623 0 1 FHAF CCOC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 95581464 HHTIQWMYNWADNA-UHFFFAOYSA-N 358.401 3.718 0 1 FHAF O=c1nc(-c2cccc3ccccc23)[nH]c2ccc(N3CCOCC3)cc12 148913063 FQCHXUKUKZKZIZ-UHFFFAOYSA-N 357.413 3.580 0 1 FHAF O=C(CC1CC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 95878626 MBJPQUOUDOTXDS-RZFNWQHOSA-N 362.473 3.830 0 1 FHAF Cc1ccc(C(N)=O)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 254135338 ZUGQHWMWOSJZBO-SHTZXODSSA-N 352.434 3.904 0 1 FHAF Cc1cccc2c1c(C(=O)N1CCN(C)CC1)cn2CC1CCCCC1 299833038 NFCBQYQLVBBJGL-UHFFFAOYSA-N 353.510 3.918 0 1 FHAF NC(=O)C[C@H](C1CCCCC1)n1cc(Nc2ncnc3ccccc23)cn1 653847627 FIIIQUYOJPPRNY-GOSISDBHSA-N 364.453 3.567 0 1 FHAF Nc1cncc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587254675 UPLOTIJWZRFMFW-UHFFFAOYSA-N 357.133 3.988 0 1 FHAF CC1(C)[C@H]2OCC[C@H]2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587608446 LBJPOBOSVGKMRZ-CCNVXBGZSA-N 352.386 3.538 0 1 FHAF COC(=O)c1cc(OC)n(-c2cccc(-c3cccc(OC)c3)c2)c1OC 587924857 AWOVEJNGOWVDPA-UHFFFAOYSA-N 367.401 3.957 0 1 FHAF COc1cccc(C(=O)c2ccc(-c3nc4nc(OC)ccc4[nH]3)cc2)c1 587930390 HQDMEYNXWRHCFI-UHFFFAOYSA-N 359.385 3.873 0 1 FHAF COC(=O)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355407 XPOFMCNHJPJLSA-YRISNDGFSA-N 370.376 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cccc(Cl)c1)O2 587377429 IGTYLCNAIDULDS-LJQANCHMSA-N 358.825 3.983 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ccnn12 587585686 GUYRUGCUOFTDNU-GHTZIAJQSA-N 358.353 3.743 0 1 FHAF Cc1cccc(C)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587276292 LUGFHDIPJMANAM-UHFFFAOYSA-N 360.207 3.930 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CC3(CC3)C2)N1 587818611 RMBMQRMCZHKGNY-QGHHPUGFSA-N 352.247 3.851 0 1 FHAF COC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346983 CZUTVTFGCUKRLS-QUCCMNQESA-N 358.365 3.602 0 1 FHAF O=C1C[C@@](C(=O)O)(c2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 587507814 TWYZJDCAKYVOLO-FQEVSTJZSA-N 358.340 3.789 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](C)CN(Cc4ccccc4)C1)[C@@H](C2)C3=O 587438555 QFUXIAYWRHNOAY-BIFSNJIPSA-N 363.457 3.723 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ncccc2[nH]1 587585969 AFAVQIXJLYDDHR-GHTZIAJQSA-N 358.353 3.971 0 1 FHAF COC(=O)c1ccc(Cl)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587423692 VKRTZPGVUVPIRQ-FZKQIMNGSA-N 358.777 3.624 0 1 FHAF [O-][n+]1ccccc1SCc1nc2cc(Br)cc(Cl)c2[nH]1 586970421 ZSPGXYYXHKDDMC-UHFFFAOYSA-N 370.659 3.905 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)nc1C)[C@@H](C2)C3=O 587416961 GXHOOPFKDJPVJN-YVEFUNNKSA-N 360.207 3.650 0 1 FHAF Cc1cc(Cl)cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 586952119 CRPGORHQAQPYND-UHFFFAOYSA-N 355.891 3.523 0 1 FHAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cnncc4[nH]3)c(F)c2)c1 587138428 IHNRHOJZEPEIKZ-UHFFFAOYSA-N 352.300 3.663 0 1 FHAF O=C1COc2cc3[nH]c(CCCCCCCCCCCO)nc3cc2N1 586894801 VJOMVKTXGORIAW-UHFFFAOYSA-N 359.470 3.940 0 1 FHAF Cc1cc(C)n(C[C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)n1 962648870 XDBYLPQPZOUWCF-UPVQGACJSA-N 372.516 3.988 0 1 FHAF C[C@@]1([C@@H]2CCOC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962961542 VJDPRNNHUWQLHA-PBHICJAKSA-N 355.400 3.609 0 1 FHAF CCOC(=O)[C@@]1(c2ccc(F)cc2Cl)NCCc2ccc(F)c(C)c21 962089074 FYNPSSHYXDRIBN-IBGZPJMESA-N 365.807 3.879 0 1 FHAF CN1C[C@H](COC(=O)C2CCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21 13793935 LBMASRRMMMURHJ-JLTOFOAXSA-N 350.462 3.771 0 1 FHAF CNC(=O)c1cc2c(Oc3ccc(-n4cccn4)cc3)cncc2s1 13864416 WDGQIQZOINIDJK-UHFFFAOYSA-N 350.403 3.634 0 1 FHAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(Cl)cc3C2)CC1 1857547656 BVRQFYBVYHOVEQ-RHDGDCLCSA-N 363.933 3.918 0 1 FHAF Cc1ccc(-c2ccc(Nc3ccnc(N4CCN(C)CC4)n3)cc2)cc1 1857568468 BNJGUAVXDBWPFV-UHFFFAOYSA-N 359.477 3.947 0 1 FHAF CC(C)(C)OC(=O)N[C@H]1CC[C@@H](n2cnc3cnc4[nH]ccc4c32)CC1 101537705 VBEGYGRCLFKGNY-JOCQHMNTSA-N 355.442 3.921 0 1 FHAF COc1ccc(-c2noc([C@H](C)NC(=O)C3CCCCC3)c2C(=O)O)cc1 2356299993 RPCXUJOSIRWUJL-LBPRGKRZSA-N 372.421 3.806 0 1 FHAF CCCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 103262821 IHQNGNQNSZFOFZ-UHFFFAOYSA-N 374.485 3.977 0 1 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 29216570 QKEMXTZZPULBCH-SBGJMSNXSA-N 353.506 3.835 0 1 FHAF CCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1cc(C)on1 29235576 CQIWFRCLGSQDHQ-UHFFFAOYSA-N 365.311 3.658 0 1 FHAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCCCc1ccccn1 28090325 AIADPKRDKGMIIJ-UHFFFAOYSA-N 351.454 3.681 0 1 FHAF COc1cc([C@@H]2CN=C(c3c[nH]c4ccccc34)O2)cc(OC)c1OC 27524575 JKXNMQHEJHITOZ-SFHVURJKSA-N 352.390 3.712 0 1 FHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)(C)O)=C[C@@]3(O)CC[C@H]21 2356596645 MSCQHAFYQSSUEH-DTXWBZGDSA-N 350.499 3.604 0 1 FHAF COc1ccc([C@@H]2NC(=O)Nc3ccc(CNc4ccccn4)cc32)cc1 66252046 KXKANTOXHPVOEL-FQEVSTJZSA-N 360.417 3.927 0 1 FHAF COc1ccc(-c2ccc3ncnc(NC[C@H]4CCCO4)c3c2)cc1OC 66139545 XVIBRDDFKMWBKA-MRXNPFEDSA-N 365.433 3.905 0 1 FHAF C[C@H](CCO)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33821003 USQUBBGNLNAZCX-MAGGAUTPSA-N 364.570 3.996 0 1 FHAF O=C1NC(=O)/C(=C\c2ccc(OCCC3CCCCC3)c(CO)c2)S1 219020269 NODYJSRWBAMRRE-GZTJUZNOSA-N 361.463 3.852 0 1 FHAF CCN(C(=O)c1ccccc1COc1ccccc1)[C@@H]1CCC[C@H](N)C1 96940006 QKMKQBDTUNDHFH-RBUKOAKNSA-N 352.478 3.998 0 1 FHAF Cc1cccc(-c2noc(C3CN(C(=O)C4CCC(F)(F)CC4)C3)n2)c1 95578938 SGRKNZRNXRITCT-UHFFFAOYSA-N 361.392 3.796 0 1 FHAF COC(=O)CCCCCCC[C@@H](O)[C@@H](CCCCCCCCO)OC 238784807 NUFKGRYSSIJFND-RTBURBONSA-N 360.535 3.989 0 1 FHAF CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2ccc(F)cc2F)C1 96917472 PSXAUHKFMLAJCF-UHFFFAOYSA-N 362.424 3.917 0 1 FHAF N[C@@H](N=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068215 MAQPXZVCHXEKFG-INIZCTEOSA-N 352.785 3.997 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(O)cc4[nH]3)c2)c1 587234223 DDACHUHNWZHRCV-UHFFFAOYSA-N 357.413 3.886 0 1 FHAF O=C1CC2(CCC(N3CCOCC3)CC2)Oc2c1ccc1c2CCCC1 587518469 IUPSOKYDEADVMO-UHFFFAOYSA-N 355.478 3.544 0 1 FHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 586929865 BRTQJLFFVVJSFX-UHFFFAOYSA-N 363.870 3.914 0 1 FHAF CCS(=O)(=O)c1ccccc1-c1nc2cccc(Br)c2[nH]1 586923034 WKJVJQLJOXVQIK-UHFFFAOYSA-N 365.252 3.786 0 1 FHAF Cc1ccccc1C(=O)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603156 NAJBFOJXNMNAPT-GCJKJVERSA-N 360.365 3.914 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587007879 UHXSGBPVWNJFJO-CQSZACIVSA-N 371.198 3.592 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-n1ccnn1)CC2=O 587481074 XSDSYNQBYZVYHI-NRFANRHFSA-N 363.417 3.806 0 1 FHAF Cc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1F 587132140 KWTALHJKPGAICJ-SNVBAGLBSA-N 355.360 3.980 0 1 FHAF Fc1c(F)c(F)c2[nH]c(CSc3nnc(S)s3)nc2c1F 587025329 LLLQGXRQWOSIGG-UHFFFAOYSA-N 352.363 3.552 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 587148976 FLBYJCFERRPHIY-JTQLQIEISA-N 366.389 3.775 0 1 FHAF O=C1C[C@H](c2nc3ccc(F)c(F)c3[nH]2)CN1Cc1ccc(F)cc1F 587147698 AUQFAFFFRRORPZ-JTQLQIEISA-N 363.314 3.635 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OC)OCCO3)CC2=O 587484532 GSEPEALJYAVKBF-SFHVURJKSA-N 370.401 3.831 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(N)c32)N1 587748427 XCKXXODJVMDJLN-MGNBDDOMSA-N 361.258 3.894 0 1 FHAF CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CN(C)C 587387699 SBWGYZWAZGADCM-HXUWFJFHSA-N 354.450 3.744 0 1 FHAF CC1(C)COc2c(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cccc21 586910830 BTDMEUIBDZQJMC-UHFFFAOYSA-N 363.461 3.732 0 1 FHAF Cc1cc([C@]2(C(F)(F)F)N[C@H](C(=O)O)Cc3cccc(F)c32)ccc1F 962893997 GQLMAXDEGNCRJJ-YOEHRIQHSA-N 371.305 3.678 0 1 FHAF Cc1cc2c(cc1F)[C@@]1(NCC2)C(C(=O)O)=COc2cc(Cl)ccc21 962088580 GMHZIHHOPMZLDI-LJQANCHMSA-N 359.784 3.538 0 1 FHAF O=C(O)Cc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1 1772587375 NNJLQDIPFCLPNV-UHFFFAOYSA-N 360.211 3.565 0 1 FHAF COc1cc(C(=O)c2c(O)cc(O)c(CC=C(C)C)c2OC)ccc1O 14648140 BWUVWDLEXDMTNX-UHFFFAOYSA-N 358.390 3.560 0 1 FHAF biogenic,in-vitro Nc1c(CC(=O)O)cc(Cl)cc1C(=O)c1ccc(Br)cc1 28770957 KASVLKJSQYEVBJ-UHFFFAOYSA-N 368.614 3.543 0 1 FHAF COc1cc([C@H]2Oc3c(OC)cc([C@@H](OC)[C@H](C)O)cc3[C@H]2C)ccc1O 100822413 DHRVKFSLKMAPEL-JJWOIWCPSA-N 374.433 3.715 0 1 FHAF endogenous,in-man CCCCC[C@H](O)[C@H](O)C[C@H]1OC(=O)c2c(O)ccc(CC=C(C)C)c21 2356509751 ZFTKJAWVCXVCCO-CGTJXYLNSA-N 362.466 3.805 0 1 FHAF COC(=O)[C@]1(C)[C@H]2C=CC3=CO[C@H](OC(=O)CC(C)C)[C@@H]4CC[C@@H]1[C@@]34C2 2356668890 FNLVWVNGNLUSMJ-RUBKQAAOSA-N 360.450 3.598 0 1 FHAF CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356739589 LIQRRNOQIKMVTQ-FAGWYDQESA-N 360.494 3.811 0 1 FHAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)C[C@@H]12 74378985 TXNDOHJRJYWPRV-RHSMWYFYSA-N 358.800 3.663 0 3 FHAF O=C(O)C[C@H](Cc1nc2cc(C(=O)O)ccc2[nH]1)c1ccc(Cl)cc1 72118928 KMIIQDQYURROPL-LBPRGKRZSA-N 358.781 3.716 0 1 FHAF COc1cc(O)c2c(c1CC=C(C)C)O[C@@H](c1ccccc1)[C@H](O)C2=O 14819288 KYQFKDZILDYMMX-UXHICEINSA-N 354.402 3.587 0 1 FHAF biogenic O=C(Cc1ccc(C(F)(F)F)cc1Cl)N[C@@H]1COc2ncccc21 146635925 QJCCNDVXUKXRTD-CYBMUJFWSA-N 356.731 3.546 0 1 FHAF CCCSc1ncccc1C(=O)N(C)[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](O)(C3)C2 254134691 MYUWJGFKFGXFOP-LLWPTMSKSA-N 360.523 3.595 0 1 FHAF CCn1ccc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587515914 PHUILDISLWKXMA-XSEIIIHRSA-N 365.477 3.718 0 1 FHAF CC(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966914 LBNBIHRIFOPMSE-UHFFFAOYSA-N 351.391 3.503 0 1 FHAF Cn1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587339902 GROGVJPLYNRLAG-UYAOXDASSA-N 352.365 3.539 0 1 FHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(Br)ccnc2[nH]1 587174031 CPBNWCAYRVSPDD-GFCCVEGCSA-N 374.217 3.583 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](C(=O)O)CC2)N1 587830000 ZUWNFTNVHUUFEJ-CZIZLABSSA-N 370.262 3.983 0 1 FHAF Cc1cc(Cl)ccc1OCC(=O)n1ncc2ccc(Cl)cc2c1=O 587652056 VAUFLJJAXKYLEP-UHFFFAOYSA-N 363.200 3.731 0 1 FHAF Oc1ccc(-c2ccccc2-c2nc3c(S)nc(S)nc3[nH]2)cc1 586897965 BQZFMRMJLNGFNF-UHFFFAOYSA-N 352.444 3.970 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)cc1Br)O2 587378017 RHIWBAPWKRZIOJ-KRWDZBQOSA-N 362.223 3.926 0 1 FHAF CC1(C)C[C@]2(CC[C@@H]1O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587609636 OLQDNHVPISUKME-FIKGOQFSSA-N 354.402 3.664 0 1 FHAF Nc1ncc(Cl)nc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587086327 FWZMRNNVNBNWAP-UHFFFAOYSA-N 351.797 3.835 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Cl)cc(F)c2[nH]1)C(C)C 586933430 RFPBLIQIFMRXAS-CYBMUJFWSA-N 361.870 3.772 0 1 FHAF C[C@@]1(c2cc(Cl)ncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553158 UCXOYBGAECKCDK-LPHOPBHVSA-N 368.776 3.713 0 1 FHAF COc1ccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1OC 587212967 DGAFELGRADLDHY-KRWDZBQOSA-N 359.425 3.998 0 1 FHAF C[C@]1(c2cccnc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340933 XBQZWFUPTYDALM-GHTZIAJQSA-N 364.376 3.783 0 1 FHAF COc1ccc([C@@H]2C[C@]3(CCO2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587456184 SKJMRHUIHAJCEE-LZNRXBQRSA-N 366.413 3.742 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(=O)OCC)n1)CC2=O 587478925 AJSZGFCVTFILKU-NRFANRHFSA-N 369.417 3.797 0 1 FHAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)C(C)(C)C)nc2c1 587257726 KORUETDTSPQGMD-GFCCVEGCSA-N 354.248 3.548 0 1 FHAF COc1ccc([C@@H]2C[C@@]3(CCO2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587456186 SKJMRHUIHAJCEE-ZWCUEREDSA-N 366.413 3.742 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccn(C(F)F)n1 587556493 OQRIKUFHEYEEFO-PBHICJAKSA-N 358.300 3.687 0 1 FHAF CC[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605612 AFSPKQRAZYDHPV-RXVVDRJESA-N 354.402 3.929 0 1 FHAF CCc1ccccc1-c1cccc2sc(CNC[C@@H](N)C(=O)O)cc12 1772621146 DOBABIOYUNSMGY-GOSISDBHSA-N 354.475 3.632 0 1 FHAF Cc1cc(Nc2ccc([C@@H]3CNCCO3)cc2C)ncc1Br 150049094 IASSALYJNQOLQY-INIZCTEOSA-N 362.271 3.865 0 1 FHAF Cc1ccc2oc3c(c(=O)c2c1)CC[C@@H]1[C@H]2CCCN4CCC[C@@H](CN31)[C@@H]24 1857594619 AOAQFCGUVVNQBF-HXQKEGBBSA-N 364.489 3.727 0 1 FHAF Cc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCC2)cc1 3036155 ATXFJTCVBJYXSS-NRFANRHFSA-N 354.494 3.982 0 1 FHAF COc1cc([C@@H]2Oc3c(OC)cc(C=CCO)cc3[C@@H]2C)cc2c1OCO2 2356563707 ALMMZKOPVITQNK-HXPMCKFVSA-N 370.401 3.675 0 1 FHAF Brc1ccccc1-c1nc(CNCCN2CCCCC2)co1 72183985 YUXWQWWMMNZSEJ-UHFFFAOYSA-N 364.287 3.680 0 1 FHAF CC[C@@]12CCCN3CCc4c(n(c5c(OC)c(OC)ccc45)C(=O)C1)[C@@H]32 15149028 GYPAVOKGSJNVHQ-NHCUHLMSSA-N 354.450 3.792 0 1 FHAF biogenic Cc1cc(OC(C)C)cc2c(CN3CCCOCC3)c3c(C)n[nH]c3nc12 73385850 BXLXWGMNQZCEKI-UHFFFAOYSA-N 368.481 3.737 0 1 FHAF O=C(c1[nH]c2ccccc2c1Cl)N1CCN(Cc2ccc(F)cc2)CC1 40402872 HFFKFEBUNLYTLN-UHFFFAOYSA-N 371.843 3.918 0 1 FHAF CCOc1ccc(-c2nc(CSCC(=O)NC3CCC3)c(C)o2)cc1 198317583 UXSLSAJWOMPYKL-UHFFFAOYSA-N 360.479 3.951 0 3 FHAF Cc1ccc2nc(C)c3nnc(-c4cc(C(C)(C)O)ccc4Cl)n3c2n1 145739479 NEABOXNGRRESAV-UHFFFAOYSA-N 367.840 3.837 0 1 FHAF O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2cnccn2)cn1 473113309 FNZKUKLUIGSDDI-UHFFFAOYSA-N 356.385 3.709 0 1 FHAF CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC=O 299826923 OKBQGRPVSXZFNX-UHFFFAOYSA-N 352.419 3.946 0 1 FHAF COc1ccc(NC(=O)C(=O)c2cn(CC(C)C)c3ccccc23)cn1 653785928 QARXZNWEAYATLY-UHFFFAOYSA-N 351.406 3.522 0 1 FHAF Oc1cc(Cc2ccccc2)c(O)n1NCc1ccccc1Br 587939399 BZZFAMHIGILAAW-UHFFFAOYSA-N 373.250 3.996 0 1 FHAF O=C(O)C[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348134 CJVSLXSPYMFOFA-DKIOLRDMSA-N 370.376 3.904 0 1 FHAF N=c1cc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c[nH]1 587138706 RFLABWMNRTUUMR-UHFFFAOYSA-N 366.327 3.681 0 1 FHAF Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)c1 587275566 DDFHJHUYJBEBND-UHFFFAOYSA-N 360.207 3.930 0 1 FHAF Cc1nn(C)cc1-c1[nH]c2ccc(F)c(Cl)c2c1CN1CCOCC1 587632119 PHWBYYACQKSYTD-UHFFFAOYSA-N 362.836 3.502 0 1 FHAF CC[C@@]1(c2ccc(OC[C@H]3CO3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587457042 ZCECGOGVPLHFAM-SVMVAKDDSA-N 366.413 3.526 0 1 FHAF Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)c1C 587755290 OMZMJVBVJMDBFI-VXJOIVPMSA-N 352.251 3.562 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(CC1CC1)CC2 587581307 GVOAXAQZUVALEQ-IBGZPJMESA-N 365.429 3.598 0 1 FHAF CCOc1ccncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585466 DYOAUOPDTGLXLS-GHTZIAJQSA-N 363.369 3.889 0 1 FHAF CC[C@H]1OCCC[C@@H]1c1nc2cccc(I)c2[nH]1 586910536 IHAWXYZZQRANAH-JOYOIKCWSA-N 356.207 3.840 0 1 FHAF Nc1ccc(-c2ccc3nc(CC(=O)OCc4ccccc4)[nH]c3c2)cc1N 587782799 QDCCLUGKIVDIBK-UHFFFAOYSA-N 372.428 3.680 0 1 FHAF O=C(O)C[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347954 BTQJHSJAFLLBKR-DRWCTHJISA-N 370.376 3.904 0 1 FHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 587788075 ZYHYGEAJVPDDHV-CHWSQXEVSA-N 361.323 3.920 0 1 FHAF COc1cnccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587771078 BJRDNBGMWNYFOJ-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF COC(=O)c1cc2[nH]c(-c3csc4ccc(O)cc34)nc2cc1OC 587033550 XCEFXQZMXCNQGQ-UHFFFAOYSA-N 354.387 3.945 0 1 FHAF CCCCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661753 SYDFIDTXDIOXHI-UHFFFAOYSA-N 355.438 3.725 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C3CC3)CC2)N1 587771743 XKNVSIHCDSOFOJ-LLVKDONJSA-N 353.279 3.576 0 1 FHAF Oc1nncc2nc(COc3ccc4ccccc4c3Br)[nH]c12 586999808 CBCXQIGTJRJLIO-UHFFFAOYSA-N 371.194 3.553 0 1 FHAF CCOc1cc(-c2cc(-c3ccc(F)cc3)cnc2N)ccc1C(N)=O 205096235 UOKJZLPJHXEDQT-UHFFFAOYSA-N 351.381 3.635 0 1 FHAF COc1cc2c(c(OC)c1OC)[C@H](c1cc(Cl)ccc1F)CC(=O)N2 219424333 WCLRSRZPDDJOEO-NSHDSACASA-N 365.788 3.979 0 1 FHAF CN1Cc2c(C3=C[C@@H]4CNC[C@H]4C3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772596248 NLPLTKCFYIPFQR-ZIAGYGMSSA-N 360.436 3.942 0 1 FHAF CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccc(C)cc2)c1 1772622188 OPIOXAONLZHNOU-UHFFFAOYSA-N 358.438 3.559 0 1 FHAF O=C(NC1CCCCC1)[C@@H]1CC=C[C@@H]2CCN(C3CCCCC3)C(=O)[C@@H]21 12478704 RNDUBZLYEVOMSR-AHRSYUTCSA-N 358.526 3.809 0 3 FHAF CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn(C)n1 13650565 OHYJMXQGEFIIPG-UHFFFAOYSA-N 374.485 3.598 0 1 FHAF Cc1nc2ccc(F)c(-c3cc4c([nH]3)CNC4=O)c2nc1NC(C)(C)C 206128418 XXPYNUSOQUYFNM-UHFFFAOYSA-N 353.401 3.526 0 1 FHAF O=C(Cc1cccnc1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1 1857599431 APHKDLBPPPYVQT-UHFFFAOYSA-N 365.477 3.659 0 1 FHAF COc1ccc(C)cc1-n1cnc2cc(C(=O)NCc3ccco3)ccc21 2926224 XSGQJDSDDBNPNP-UHFFFAOYSA-N 361.401 3.866 0 1 FHAF CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNCC3)ccc12 58638372 DHDKYDLNUPJXFQ-UHFFFAOYSA-N 366.490 3.686 0 1 FHAF in-vitro O=C(O)C[C@H]1C[C@H]1c1cccc(OCCc2ccc3c(n2)NCCC3)c1 28648222 OCTQRAGMJGKHHA-APWZRJJASA-N 352.434 3.639 0 1 FHAF COc1ccc([C@H]2CC(=O)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc1 27093840 YGGNBVAZKOYDGM-GFCCVEGCSA-N 369.804 3.814 0 1 FHAF COC(=O)C[C@@]12CC[C@@H](O1)[C@](C)(CCC[C@H](C)[C@@H](O)CC=C(C)C)OC2 27886429 IKRKGVARPWZVAW-GCGJSEPQSA-N 368.514 3.780 0 1 FHAF COC(=O)C=C(C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)C[C@@]1(C)O 2356635845 MDVKJBFHLSNOIH-WUKSYQMZSA-N 352.515 3.850 0 1 FHAF COc1ccc2c(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2c1 45496189 NQNIGYLPORJIGX-UHFFFAOYSA-N 367.401 3.687 0 1 FHAF COc1cccc(CCNc2cc(-c3cc(F)ccc3OC)ncn2)c1 82160668 WAUAXAWTZKYKRZ-UHFFFAOYSA-N 353.397 3.955 0 1 FHAF C[C@H](NC1=NC(=O)[C@@](C)(C(C)(C)O)S1)c1ccccc1C(F)(F)F 40848957 ZOWSXPJLDABSMI-VFZGTOFNSA-N 360.401 3.515 0 1 FHAF CN1CCC(Nc2nccc(-c3c[nH]nc3-c3ccc(Cl)cc3)n2)CC1 40836170 WDJDECALDSDVRM-UHFFFAOYSA-N 368.872 3.693 0 1 FHAF CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N(C)[C@@H]2CO 95570446 SFMKYQRQRSGMSM-WEYGHZABSA-N 368.452 3.603 0 1 FHAF O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1cccc(Cl)c1Cl 473135127 LNKXYYAFDGYYKE-UHFFFAOYSA-N 363.248 3.524 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3c(c1)ncn3C)CC2=O 587479371 ZBBMTRWFAFYWBC-FQEVSTJZSA-N 351.406 3.507 0 1 FHAF COC(=O)c1ccc(Oc2ccc3nc(Cc4ccc(=N)[nH]c4)[nH]c3c2)cc1 587254990 UFZQDERDVBLBTE-UHFFFAOYSA-N 374.400 3.540 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C)C(=O)O)(c1ccccc1F)O2 587384858 JULYGMWVLFJAQJ-FKIZINRSSA-N 357.381 3.688 0 1 FHAF CNc1c(F)cccc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587135652 LEDKDIVXFYKGKE-UHFFFAOYSA-N 373.331 3.704 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(C)cc3[nH]2)cc1 586939436 OUJKFLSEYHZGET-GFCCVEGCSA-N 361.442 3.754 0 1 FHAF CCn1nc(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587763534 JXCUZKZHDVKOKZ-XXFAHNHDSA-N 352.251 3.737 0 1 FHAF O=C(O)c1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587220378 RFOIJYSVDXPCQI-IBGZPJMESA-N 371.396 3.781 0 1 FHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(F)c(F)c3[nH]2)cs1 587014716 XMVLLWNEVMWRIJ-UHFFFAOYSA-N 366.393 3.989 0 1 FHAF Cc1cnc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587588557 RDPPSVVEVQCAGT-DYESRHJHSA-N 362.385 3.676 0 1 FHAF Nc1cccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512144 USHFKBPGFQZPNV-JOCHJYFZSA-N 365.429 3.873 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)C(C)(C)C 587205766 UCCUWLYXZQHLQZ-AWEZNQCLSA-N 361.442 3.743 0 1 FHAF Oc1nc(O)c2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2n1 587785227 ZAPOCXIWBGMKSZ-FLIBITNWSA-N 360.373 3.514 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(-c2ccccn2)o1 963612569 SKWOWQSKZZZQOF-ASSNKEHSSA-N 350.418 3.982 0 1 FHAF CCc1ccccc1-c1cccc2sc(CNC[C@H](N)C(=O)O)cc12 1772621147 DOBABIOYUNSMGY-SFHVURJKSA-N 354.475 3.632 0 1 FHAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)c(Cl)c3)ncc12 1772650593 UXSSTFYMEUFRPL-MRVPVSSYSA-N 363.780 3.642 0 1 FHAF OCCCNc1cncc(-c2cncc(Nc3ccccc3Cl)n2)c1 13648341 OQNHOXSUGWCWDP-UHFFFAOYSA-N 355.829 3.730 0 1 FHAF CN(C)C(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169324119 KZGZRFUHUPKRGX-VZJZUUIZSA-N 365.304 3.948 0 1 FHAF CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 169691504 QSAMTTNJIUOMCS-OALUTQOASA-N 354.450 3.851 0 1 FHAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccsc1 775734 ULNGEJKWLZHWSH-YPMHNXCESA-N 350.484 3.837 0 1 FHAF CN1[C@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1cccc(O)c1 2356329412 DPEDTDJRBRBGNW-IPJJNNNSSA-N 353.462 3.942 0 1 FHAF O=C1CN=C(c2ccccc2)c2ccccc2N1CCOc1ccccc1 3051420 GKNWWTYACBGAAT-UHFFFAOYSA-N 356.425 3.950 0 1 FHAF C[C@H]1CCCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)C1 3910059 KGDVXSMYYHIJBO-WQTXXOFMSA-N 374.484 3.782 0 1 FHAF CC1=Nc2nnnn2[C@@H](c2cccc(C)c2)/C1=C(\O)OC1CCCCC1 104116257 QRJLXRZAJDLLAG-HVESIFNPSA-N 353.426 3.796 0 1 FHAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N(C)Cc1cccnc1 2356303190 MUUWKRAHJHGFPA-GFCCVEGCSA-N 371.824 3.716 0 1 FHAF CCN(CC)CCCCCN1C(=O)C[C@]2(CCCc3ccccc32)C1=O 27562262 HISOFZLPTTYKDW-QFIPXVFZSA-N 356.510 3.532 0 1 FHAF Cn1c(-c2ccc(C(N)=O)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71329667 MXXLRXZZQGJLCI-UHFFFAOYSA-N 366.852 3.704 0 1 FHAF CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(C2CC2)no1 43122821 APSPAENJXYAQKC-UHFFFAOYSA-N 357.498 3.847 0 1 FHAF CCn1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(C(C)C)nc21 84714338 RGSNAGUJMFRKHI-UHFFFAOYSA-N 357.398 3.961 0 1 FHAF CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccncc3)N2C1=O 84763397 MCKYWXAYWISPGY-AZUAARDMSA-N 374.444 3.641 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](NS(C)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O 84671904 OWLJBFPMVOUGPP-MCMLKMLFSA-N 367.555 3.516 0 1 FHAF Nc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 49792456 UEJUFRKRCLMBAK-JQBYJRRVSA-N 366.420 3.665 0 1 FHAF COc1cc(-n2ncnc2-c2ccc(OC(C)C)cc2)cc(OC)c1OC 49783691 DSBZLZOKEUEGKL-UHFFFAOYSA-N 369.421 3.747 0 1 FHAF Cc1cc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1F 40566740 XBLNZURYCFOENF-UHFFFAOYSA-N 354.385 3.576 0 1 FHAF COc1cc2nc(CNc3cccc4ccccc34)nc(N)c2cc1OC 96907510 QBHKJNZPESOJGG-UHFFFAOYSA-N 360.417 3.995 0 1 FHAF CNC(=O)Nc1ncc(SC2CCOCC2)cc1Oc1cccnc1C 299822980 JALZBSKFWWSHNK-UHFFFAOYSA-N 374.466 3.600 0 1 FHAF CC(C)(C)[C@@H](CO)NCC(=O)N1CCc2ccccc2[C@@H]1C1CCCCC1 473089101 KKKCKZUPMNIXIF-IRLDBZIGSA-N 372.553 3.689 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2OCO3)N1 587833664 HDRZDRZIDCSXJN-FVMDXXJSSA-N 364.214 3.941 0 1 FHAF Cc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587587298 MGGCBAGNCMKFFF-NQIIRXRSSA-N 362.385 3.810 0 1 FHAF CO[C@H](c1cncs1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619869 VGBKBWHHCVITOS-IPELMVKDSA-N 369.398 3.567 0 1 FHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(F)cc(F)c3[nH]2)C(F)(F)C1 587131833 DGDCBWHXBMTXHB-VIFPVBQESA-N 359.323 3.811 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)c2nc3c(Br)ccnc3[nH]2)cc1 587936738 LUAMZSPNVVUONX-YMTOWFKASA-N 362.227 3.566 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccnc2Cl)N1 587707411 VLCLHRBEBQEYLU-AYVTZFPOSA-N 370.653 3.829 0 1 FHAF C[C@@H]1CN(C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347721 UPPNZMFDJFULLG-WHIIXXIBSA-N 355.409 3.601 0 1 FHAF COc1ccc(C)cc1NCCCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 587229177 QWPWOMMGKFQEMT-IBGZPJMESA-N 353.426 3.648 0 1 FHAF COc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587143638 CISSQDDECINPEB-CYBMUJFWSA-N 364.218 3.716 0 1 FHAF CC(=O)NC(C)(C)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587752180 CMJRWNYUNPMDOO-BTDLBPIBSA-N 371.294 3.642 0 1 FHAF CC(C)(C)NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657597 AOBRBNSVECWDEG-UHFFFAOYSA-N 373.428 3.863 0 1 FHAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H](C)CCO3)nc2c1 586917854 WOVBZHDIVXPALU-UFBFGSQYSA-N 353.216 3.600 0 1 FHAF COc1ccc2c(c1OC)CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587403760 QLYDGWFQXJNSSY-OAQYLSRUSA-N 353.418 3.791 0 1 FHAF Oc1cc(O)nc(SCc2nc3ccc(SC(F)(F)F)cc3[nH]2)n1 586966994 QXOZIMVOGGGHIP-UHFFFAOYSA-N 374.369 3.668 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-n3cccn3)c(C)c1)CC2=O 587474050 CKHWZXSFAGTJPL-LJQANCHMSA-N 363.417 3.940 0 1 FHAF Cc1c(C)c(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O 587938804 BKLLEHPJQKXIPO-AWEZNQCLSA-N 353.260 3.582 0 1 FHAF Cc1cc(C)n(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587763116 IDDUWOQDXLNBPX-BMLIUANNSA-N 366.278 3.851 0 1 FHAF C[C@H](C(F)(F)F)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962909286 WRYANMFHIMHGPN-GYOIFBIXSA-N 367.342 3.867 0 1 FHAF Cc1ccccc1[C@]1(c2ncccc2C)NCCc2c1c(C(C)C)nn2C 962917732 GJKKOLRSWNJPAY-QHCPKHFHSA-N 360.505 3.993 0 1 FHAF COc1cc2ccccc2cc1[C@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963550433 LQKYVJKNGLKSLZ-RXVVDRJESA-N 363.413 3.551 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(C)n(NC(C)=O)c2C)N1 962942767 GDUJBARZMIQANT-MGPUTAFESA-N 350.466 3.690 0 1 FHAF COc1ccc(OC)c(-c2cccc([C@@H](CC(=O)O)c3nnc(C)o3)c2)c1 1772626675 RYAWUOGGYLNZAF-QGZVFWFLSA-N 368.389 3.669 0 1 FHAF O=c1c2sc3nc4c(cc3c2nnn1-c1ccccc1Cl)CCCC4 1772616817 BYUBRVVIISEVAB-UHFFFAOYSA-N 368.849 3.923 0 1 FHAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4ncccc34)nc21 12354058 NWYOKVNRAZZLMG-UHFFFAOYSA-N 370.416 3.768 0 1 FHAF COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 12479719 BFFRVUSIYOOIJI-PKOBYXMFSA-N 368.477 3.892 0 3 FHAF COC[C@H](OC(C)=O)[C@H]1OCc2ccccc2[C@H]1C=Cc1ccccc1 1857622904 SSAJXUFJYJHGDQ-FSSWDIPSSA-N 352.430 3.961 0 1 FHAF CCCCn1c(=O)c([C@H]2CNC(=O)c3ccccc3N2)cc2ccccc21 1857634154 VUWRHAPMZCDUSN-LJQANCHMSA-N 361.445 3.698 0 1 FHAF Fc1cc(Br)ccc1-n1ncnc1-c1ccc2c(c1)OCO2 2501418 FSXKOALBWWETKH-UHFFFAOYSA-N 362.158 3.565 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3cccn3CC)cc2)C[C@@H]2CC[C@H]1N2 27552263 TUTFNCHCPZEQJC-QEUVDIPISA-N 352.478 3.962 0 1 FHAF COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)CC[C@@H]3N(C)CC2 2356611741 IZMFYJJTGTVMPX-AWEZNQCLSA-N 355.434 3.560 0 1 FHAF CC(=O)c1ccc(O[C@]2(C)CCN(Cc3ccc4c(c3)OCCO4)C2)cc1 61908097 WSBXRHGAPKITNZ-JOCHJYFZSA-N 367.445 3.704 0 3 FHAF Cc1cc(NCCN2CCCCC2)n2nc(-c3cccc(F)c3)cc2n1 72102890 MTYLURYLGOVQFC-UHFFFAOYSA-N 353.445 3.742 0 1 FHAF CN(C)C(=O)C[C@]1(O)CCC[C@@H](/C=C/[C@H](O)CCCCc2ccccc2)C1 36189861 LQQOFRLZJKZLCO-SALAAZCASA-N 373.537 3.716 0 1 FHAF O=c1c2ccccc2nc2n1[C@H]([C@@H]1c3ccccc3N=C3CCCN31)CC2 15121876 JSBWLMOPVBHTTO-RXVVDRJESA-N 356.429 3.765 0 1 FHAF biogenic O=C1NC(=O)N(Cc2ccccc2)/C1=C/c1ccc(Br)cc1 40974578 CBDWPPSDEZADAC-XNTDXEJSSA-N 357.207 3.542 0 1 FHAF Cc1ccc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)cc1 225529254 NELYNYYQMSEVCP-UHFFFAOYSA-N 371.444 3.832 0 1 FHAF COc1ccc(-c2nnc(/C=C/c3cc(OC)c(OC)c(OC)c3)o2)cc1 96284419 XLJFGSYEPKKALN-BJMVGYQFSA-N 368.389 3.941 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3OC(C)(C)O[C@H]32)N1 587839518 SSHUMFGTMAGFPA-MEZCYXNBSA-N 370.262 3.632 0 1 FHAF Fc1ccc2c(c1)C[C@H](c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)O2 587174709 RNTRZNCCAOYNRM-MRVPVSSYSA-N 358.682 3.792 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1NC(=O)C(C)(C)C)O2 587392361 YFTBRUIMADAKGS-INIZCTEOSA-N 353.422 3.663 0 1 FHAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(=N)[nH]cc2[nH]1 587121849 NOASQNNHKGQINS-UHFFFAOYSA-N 359.311 3.793 0 1 FHAF COC(=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2n1 587017537 MXAFJMHYFGRJOX-UHFFFAOYSA-N 371.809 3.583 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(C(F)(F)F)cc2[nH]1 587225700 RMZCLONWWLXBBI-NSHDSACASA-N 363.339 3.665 0 1 FHAF C[C@@]1(CC(=O)Nc2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587535365 KJZCXWJUTKFXEJ-IBGZPJMESA-N 356.447 3.775 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CCC[C@H](C2)N3)N1 587790095 FESBIMDUBWNLID-XODPVKTHSA-N 353.279 3.622 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3c(n2)SCC3)N1 587854327 DIRSQBKTFYKMGT-RMLUDKJBSA-N 368.275 3.514 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C13CC(CC(=O)OC(C)(C)C)(C1)C3)O2 587401932 TXOWCXLFSPJMIR-YMTQGWHGSA-N 357.450 3.813 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccccc1Cl)CC2=O 587461400 KCNIWKFJBCYDHC-LJQANCHMSA-N 360.793 3.943 0 1 FHAF COC(=O)c1ccc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c[nH]c2c1 587395417 CMIYAEQGMVNFEQ-GOSISDBHSA-N 350.374 3.552 0 1 FHAF CCS(=O)(=O)c1ccc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2c1 587929710 DFBGPDZAWZPPDL-CYBMUJFWSA-N 358.463 3.711 0 1 FHAF Cc1ccc([C@@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587609644 OMTZNNXJKOMRRB-DENIHFKCSA-N 362.381 3.550 0 1 FHAF FC(F)(F)c1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 587041701 OUOXFBXOMYAOAA-ZFWWWQNUSA-N 364.396 3.923 0 1 FHAF COc1cncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587775499 RDQDRIOLTCUHCE-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF C[C@@H]1C[C@]2(CN1C1CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343925 LFOLAUHCYNDAOX-IIYZAJTGSA-N 367.420 3.886 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1nc[nH]n1)CC2=O 587465127 ANTCFPJTVGNXHM-FQEVSTJZSA-N 367.380 3.511 0 1 FHAF Cc1cc([C@@]2(C)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(C)o1 962628810 FZCJJTKOPFHQBM-CXAGYDPISA-N 369.339 3.657 0 1 FHAF Cc1ccc2cc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)ccc2n1 963238685 VZBUIAPBBVJYMS-FGZHOGPDSA-N 369.424 3.780 0 1 FHAF COc1ncc(C)cc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962721728 WGYPQBKKZQIRHY-KUHUBIRLSA-N 358.482 3.991 0 1 FHAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C)c3)C2)cc1 1772608973 UAXFXLXBSYEABL-DYESRHJHSA-N 352.478 3.892 0 1 FHAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3[C@@H](O)C[C@@H]4C[C@@]3(CC[C@H]12)C[C@@]4(C)O 2356440750 OSXQLEITCURIQP-NEZLTOAHSA-N 364.526 3.684 0 1 FHAF CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N(C)C 4211338 WFOVKPRWVZEVGE-IEBWSBKVSA-N 372.852 3.919 0 1 FHAF CO[C@]1(CC(=O)OC(C)(C)C)O[C@@H](CCc2ccccc2)CC(=O)[C@H]1C 2356478368 BFLUJISEQVQXCF-LDBYXDLTSA-N 362.466 3.688 0 1 FHAF CCCCNC(=O)c1onc(CSc2cc(C)cc(C)c2)c1C(=O)O 8672381 QHGKWXYHHWGJJJ-UHFFFAOYSA-N 362.451 3.812 0 3 FHAF CN(C(=O)CN)c1ccc(Cl)cc1C(=O)c1c(Cl)cccc1Cl 25999651 SZHSENNQOQSFEA-UHFFFAOYSA-N 371.651 3.799 0 1 FHAF CCCCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(F)ccc1C 103172862 IQQUCFZTKDIMDV-UHFFFAOYSA-N 372.444 3.713 0 1 FHAF C[C@H](COC(=S)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 28521307 QXEZAPCABUYZLP-LLVKDONJSA-N 374.849 3.738 0 1 FHAF COc1ccccc1-c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)o1 28523559 CBWZZMBXSCEAIO-LGMDPLHJSA-N 363.369 3.811 0 1 FHAF O=C(Cc1cccc2cnccc12)Nc1scc(Cl)c1-c1ncn[nH]1 66077423 MYLVKAPPYVXQKQ-UHFFFAOYSA-N 369.837 3.916 0 1 FHAF in-vivo NC1=C2[C](N=CN1N)N(c1ccc(Cl)cc1)C=C2c1ccc(Cl)cc1 2356853977 SURXMCXNVRZIFP-UHFFFAOYSA-N 371.251 3.732 0 1 FHAF COC(=O)C1=CO[C@H](C)[C@]2(C)CN3C=Cc4c([nH]c5ccccc45)[C]3C[C@H]12 2356858084 IQXBTLFPLHDDSF-OLPMXTGOSA-N 363.437 3.836 0 1 FHAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCC[C@@H]1C[C@@H](O)[C@H](C)C(=O)O1 2356861459 UJFSPDOPSFJXRP-BVPBIZIASA-N 352.471 3.863 0 1 FHAF CC1=C(C)C[C@@H]2[C@H](C1)C(=O)c1ccc(Br)cc1S2(=O)=O 36388417 ZBHJNVWDNOPZEP-QWHCGFSZSA-N 355.253 3.534 0 3 FHAF N[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1ccccc1 72138394 LQNSKJBGPBDDFD-KRWDZBQOSA-N 353.809 3.538 0 3 FHAF C[C@H]1CCc2c(sc3nc(-c4ccncc4)nc(NC[C@@H](C)N)c23)C1 223658948 ZNCPXKJCKQDBBN-NWDGAFQWSA-N 353.495 3.637 0 1 FHAF CC1=C[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)O1 148110408 NDYOSWZGBZDOIR-SFHVURJKSA-N 374.803 3.590 0 1 FHAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CO)c1ccc(F)cc1 142737328 IPEUDFUGDRARIJ-BMIGLBTASA-N 372.223 3.750 0 1 FHAF COc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)COC3=O)cc1O 96909749 YODRDEUYONDFDK-UHFFFAOYSA-N 350.326 3.620 0 1 FHAF CC(C)(C(=O)O)[C@@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@]1(C)CC(=O)O)[C@]1(C)O[C@H]13 257521091 QGTMYAPGXJWNQR-NUYDAGAPSA-N 350.455 3.562 0 1 FHAF endogenous,in-man COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCN(C)C)cc1)[C@@H](C2)C3=O 587429595 QCBQQIMKJAQINO-AVRDEDQJSA-N 367.445 3.514 0 1 FHAF COc1ccnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587771466 LVWBGZDQPHDQPV-JDNHERCYSA-N 351.219 3.615 0 1 FHAF CCc1cc(O)nc(SCc2nc3cc(Cl)c(Cl)nc3[nH]2)n1 586966866 PNRVNDBUNZJVLN-UHFFFAOYSA-N 356.238 3.615 0 1 FHAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587773904 SCYVQCROANORAM-BMLIUANNSA-N 365.246 3.790 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)cc(O)n1 587866334 YJUPWKYZSLWNOA-UHFFFAOYSA-N 364.327 3.761 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cccnc12 587592510 YZLSYWKFVGLBOC-UWJYYQICSA-N 358.353 3.971 0 1 FHAF Clc1ncnc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc12 587030152 ZZSUWWAASWGVLY-UHFFFAOYSA-N 367.825 3.528 0 1 FHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(C(F)(F)F)ncc2[nH]1 587174476 JOEQQWVHPPVFMM-LLVKDONJSA-N 363.318 3.840 0 1 FHAF COc1cccc(C)c1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587785491 BHBIJTBVFFGUNB-UHFFFAOYSA-N 370.352 3.840 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(O)cc12 587606711 FKSRDYSXSIWBBW-SIKLNZKXSA-N 360.365 3.901 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1[C@@H]3C[C@H]1N(C(=O)OC(C)(C)C)C3)O2 587399605 KULJHGQNUCRYCQ-GGEKJFHASA-N 372.465 3.557 0 1 FHAF Cc1ccc([C@@]2(c3cc(C=O)n(C)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587392133 WTSKFAXPSULFOX-HSZRJFAPSA-N 374.440 3.946 0 1 FHAF Oc1nc(NCc2ccccc2)c2nc(-c3ccc(Cl)cc3)nc-2[nH]1 587070770 WZBLTPAGFUXMHX-UHFFFAOYSA-N 351.797 3.943 0 1 FHAF N=C(N)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587012858 LVXWIHUTRCNAJW-UHFFFAOYSA-N 362.256 3.610 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cccc(OC)c1 587870525 LMLXJESKPLNGIM-UHFFFAOYSA-N 354.381 3.979 0 1 FHAF Cc1ccc(C)c2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 587147897 COMSUITXFAGBKH-AWEZNQCLSA-N 355.388 3.974 0 1 FHAF CCC(=O)Nc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874160 WDHQIKXYGIVEKR-UHFFFAOYSA-N 351.337 3.832 0 1 FHAF CS(=O)(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587507761 SEWXCTBWUGQFDM-GOSISDBHSA-N 374.433 3.815 0 1 FHAF CC[C@@]1(c2cncn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587752812 GJXHVEWNCWKIHT-QFYYESIMSA-N 352.251 3.510 0 1 FHAF C[C@@]1(c2cccs2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962635060 ODIFJEZBQFRNJV-BMIGLBTASA-N 357.353 3.509 0 1 FHAF CCOC(=O)C1([C@]2(C)NCCc3cnc4c(OC)cccc4c32)CCCC1 963045969 HGLSWIIZVURHAF-OAQYLSRUSA-N 368.477 3.728 0 1 FHAF CC1(C)CCc2cc([C@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)ccc2O1 962916323 CSXJKYFNDPXMKC-PKOBYXMFSA-N 355.409 3.618 0 1 FHAF Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)c2cccc(Br)c2CCN1C 963289648 PXPIWGWZBSTGDO-LJQANCHMSA-N 371.278 3.750 0 1 FHAF OC1CCC(Nc2nn3c(-c4ccc(F)c(Cl)c4)cnc3s2)CC1 117611629 YOWKDPKNHWMGNU-UHFFFAOYSA-N 366.849 3.966 0 1 FHAF Cc1[nH]nc2c1[C@@H](c1ccc(Cl)c(Cl)c1)c1c(O)nc(O)nc1O2 1772602307 VWSKRHGCNNDDJD-SNVBAGLBSA-N 365.176 3.512 0 1 FHAF CCc1nc(N)cc(OC)c1-c1ccc2c(c1)N(CCCOC)CCC2 1772619860 JKYNYYBZOWKPAQ-UHFFFAOYSA-N 355.482 3.691 0 1 FHAF COC(=O)C[C@H]1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1 13860519 PDYOMHGHMCZTPO-HXUWFJFHSA-N 353.462 3.541 0 1 FHAF O=C(c1ccc(F)cc1)N1CCc2ncc(OCc3ccccc3)cc2C1 169326813 MTDZTBMSXYRUPM-UHFFFAOYSA-N 362.404 3.998 0 1 FHAF CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccccc3)cc2)ccc1N 1857565698 SNQFCZPXRUXUGN-UHFFFAOYSA-N 361.401 3.673 0 1 FHAF CCN1CCC(c2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)C3)CC1 1857608499 DJWUEZSKAJRCAQ-UHFFFAOYSA-N 370.518 3.590 0 1 FHAF CC(C)(C)c1ccc(OCCCCN2CCN([C@@H]3CCCO3)CC2)cc1 1857745390 DMRBAHITZCRGNB-NRFANRHFSA-N 360.542 3.897 0 1 FHAF CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773571 KDRLFFCQKZVXLA-AWEZNQCLSA-N 360.410 3.710 0 1 FHAF CC1=C[C@H](C)[C@H](C)O[C@@H]1CC(=O)c1c(O)ncc(-c2ccc(O)cc2)c1O 2356454959 BUBCXTSXJBEQKQ-RRUGBERISA-N 369.417 3.808 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214664 KALISVBWZTZWPV-LULLPPNCSA-N 362.470 3.713 0 1 FHAF C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(-c2cnco2)cc1 1911582392 FIMXROKJGGXDRJ-CYBMUJFWSA-N 365.389 3.552 0 1 FHAF O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 100099776 GEQNQLZVCTYDIJ-ZBYYUNFXSA-N 364.464 3.949 0 1 FHAF CCCCCc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 103289109 XDCNPPHUVANSEJ-UHFFFAOYSA-N 365.429 3.872 0 1 FHAF CCCN1CCN(Cc2ccccc2)C[C@@]12COc1cccc(OC)c1C2 26020099 WXEAKHMDZXZNIZ-QHCPKHFHSA-N 366.505 3.597 0 1 FHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 2356744513 NPRCUKSJBBVTGN-OJSCBBQISA-N 362.466 3.927 0 1 FHAF CCCNc1ccnc(NC(=O)C2(C[C@@H](CCC)C(=O)O)CCCC2)n1 35900425 REUQZHBGAKLLHL-CQSZACIVSA-N 362.474 3.688 0 1 FHAF C[C@]1([C@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(Cl)cc2)C1=O 72178060 OONQWFUJHNJNJX-RHSMWYFYSA-N 365.813 3.620 0 1 FHAF CCOC(=O)C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2O)cs1 40503749 XKUSRVUDDPEPKR-UHFFFAOYSA-N 368.414 3.684 0 1 FHAF Cc1nc(Nc2ccccn2)cc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 221705892 PMCOJTKFFKBTBC-SFHVURJKSA-N 373.460 3.943 0 1 FHAF COc1ccccc1N1CCN(CCSc2nc3ccccc3o2)CC1 40918137 AEFFAERGIKPYMK-UHFFFAOYSA-N 369.490 3.751 0 1 FHAF in-vitro O[C@@H](CNCc1ccncc1)[C@H](c1ccccc1)n1ccc2ccccc21 45287727 CLDXUDCHEILGJZ-GOTSBHOMSA-N 357.457 3.776 0 1 FHAF O=C1Nc2c(c(=O)oc3ccccc23)[C@@H](c2cccc(Br)c2)N1 96931710 GHFNFCAALZBXTR-CQSZACIVSA-N 371.190 3.780 0 1 FHAF CC(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)c3ccc4ccccc4n3)C2)O1 96019003 AUSIKUNBAQVETB-GCJKJVERSA-N 366.461 3.758 0 3 FHAF CCCCOC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349070 PERTVXMKQWLJSA-RXVVDRJESA-N 372.392 3.992 0 1 FHAF Nc1cc(Cl)ncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551695 IOXWQPSXAHVDOQ-QFBILLFUSA-N 368.776 3.726 0 1 FHAF CCOC(=O)[C@@H]1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587797985 NIBOZFRGEMAFLZ-ILMHXZGMSA-N 370.262 3.681 0 1 FHAF COC(=O)c1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525581 QKBFQNQEZSYTCG-LJQANCHMSA-N 352.386 3.764 0 1 FHAF COC(=O)c1cccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 587235252 IVQCLIDCPVQHEH-TZMCWYRMSA-N 373.453 3.900 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C1)O2 587401631 URPIBXBLIZCUFE-UYTHQXMGSA-N 372.465 3.701 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nn1)CC2=O 587474951 IMZUSLLJRFOHCH-FQEVSTJZSA-N 363.417 3.691 0 1 FHAF COc1cc2c3c(c1)O[C@](CCCCC1OCCO1)(C1CC1)[C@@H](C2)C3=O 587456686 XMIUBVWWRDTSNC-HRAATJIYSA-N 358.434 3.525 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587153342 YTQMIYDQMUDEJS-STQMWFEESA-N 362.401 3.906 0 1 FHAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587770918 KOTYJCCCYAQLHG-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF COc1ccc(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1OC 587397611 AAPGHECNLCEQKA-OAQYLSRUSA-N 355.434 3.869 0 1 FHAF COCc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587614809 UTIXFISIGCEKMQ-LPHOPBHVSA-N 369.398 3.698 0 1 FHAF Cc1ccn(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587764837 RLLFZVWKEOURDI-MEDUHNTESA-N 352.251 3.543 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(O)cc(O)c2)N1 587832904 LDJIOFJRCJLVJQ-XYZCENFISA-N 366.230 3.797 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(CC3CC3)n2)N1 587764771 QUUHSMWPFOIZNZ-QGHHPUGFSA-N 364.262 3.818 0 1 FHAF COCc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587615010 UTIXFISIGCEKMQ-QFBILLFUSA-N 369.398 3.698 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)[nH]c(=N)n1-c1ccccc1)O2 587378127 ACIIIZOWMLRWKV-HNNXBMFYSA-N 368.824 3.535 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cccc1O 587607276 HGFYALHWALMZNG-PXNSSMCTSA-N 350.326 3.506 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)cn1 587551762 JGESTXORJKGSSI-YJBOKZPZSA-N 354.749 3.539 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc(F)c2)N1 587740514 XRRLMNMVUJVNEV-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF C[C@H](O)c1ncc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)s1 587022734 WKEWUUZQTWXBTA-BYPYZUCNSA-N 360.183 3.780 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nonc23)N1 587793801 LDJGPCXUPDCDFY-PWJLMRLQSA-N 362.202 3.748 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@]12CCCC1=C2CCC(=O)N1 962370338 FDOKPGNZBCTYDP-OAQYLSRUSA-N 367.518 3.688 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@]31CCc2cc(Cl)c(N)cc21 963062108 WGSXJGHPILGLOR-NRFANRHFSA-N 365.864 3.815 0 1 FHAF O=C(Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)Nc1cc(C2CC2)[nH]n1 13580490 JNMFNQYJOKDMNT-UHFFFAOYSA-N 361.401 3.834 0 1 FHAF CC(C)C(CC(=O)OC[C@]1(CO)C/C(=C\c2ccccc2)C(=O)O1)C(C)C 13704190 KULWAWWGKZEAHR-HPBYZVIZSA-N 374.477 3.610 0 1 FHAF CC1CCN(c2ncc3c(n2)CCN(Cc2ccc(F)cc2F)C3)CC1 15779482 BHKVJVWWHQQKBF-UHFFFAOYSA-N 358.436 3.549 0 1 FHAF COc1ccc(/C=C/c2onc3c(=O)n(C)nc(-c4ccccc4)c23)cc1 1622840 GTSVFMWPDPBRAW-JLHYYAGUSA-N 359.385 3.768 0 1 FHAF Cc1nc2cccc3c2nc1N[C@H](C)C=CC[C@H]1CNC(=O)c2cc-3[nH]c21 1857627596 DDQXBYGNFGPJRL-YPMHNXCESA-N 359.433 3.521 0 1 FHAF COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccsc1 2480462 CMVFPBPQSZODQL-UHFFFAOYSA-N 372.446 3.845 0 1 FHAF Cc1ccc2c(c1)N(C(=O)CCC(=O)NC1CCCCCC1)C[C@H](C)O2 6797908 REILQEYGFIBQQG-INIZCTEOSA-N 358.482 3.728 0 3 FHAF COc1cccc2[nH]c3c([C@H]4[C@H](C(C)(C)O)CC[C@]4(C)O)nccc3c12 103250827 DJJGELHJLSQCQK-PJUBBZNESA-N 354.450 3.740 0 1 FHAF CC1=C[C@H](CNCc2ccncc2)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356300698 MKZSWWNXODCULS-AQNXPRMDSA-N 354.498 3.960 0 1 FHAF NCCN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCc2ccccc2C1 28825782 GBFLTEAYWYYHAE-HSZRJFAPSA-N 358.485 3.727 0 1 FHAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCc1cn(C)c2ccccc12 2356762842 XMAZFILPXNXLMX-TZIWHRDSSA-N 367.537 3.834 0 1 FHAF CC1=C[C]2C=CC3=C(O[C@H](C(C)(C)O)C3)C2=CN1[C@H](CC(C)C)C(=O)O 2356836595 WWRFJAZYHXIPOW-MSOLQXFVSA-N 358.458 3.547 0 1 FHAF CN(C)C(=O)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101526 HTRHEHYMVXCUNT-IBGZPJMESA-N 372.900 3.560 0 1 FHAF NC(=O)C[S@@](=O)Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 35791109 ANKQWETZVZGFOB-JOCHJYFZSA-N 358.246 3.520 0 1 FHAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1)c1ccccc1 36473805 YVAWOZIBIGTYBF-QGZVFWFLSA-N 368.297 3.932 0 1 FHAF COc1ccc([C@@H]2COc3cc(O)ccc3C2=O)c(CC=C(C)C)c1O 14819456 IDZSIFXDEYUFJP-KRWDZBQOSA-N 354.402 3.974 0 1 FHAF biogenic C[C@@H](Oc1ccccc1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1 40422712 XBTWVVKEPQZCNG-VQIMIIECSA-N 372.896 3.888 0 1 FHAF COCCn1c(CC(C)(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 82179405 OEEMIBGMZDVZRA-UHFFFAOYSA-N 367.497 3.982 0 1 FHAF CC(=O)Nc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1 40424202 VZDFUZNYSXFDFV-BQYQJAHWSA-N 361.430 3.982 0 1 FHAF COc1ccc(/C=C2\c3cc(OC)c(OC)c(OC)c3CC[C@@H]2O)cc1F 299868266 ZMNZXQNJLFXABB-FVLHSZHDSA-N 374.408 3.708 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2N[C@@H]2c2ccccc2)N1 587790703 HRBABUTWTXTMJP-GKMAIYAESA-N 361.258 3.877 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Cl)ccc(Cl)c21 587379747 KQHYXRWSIBDVLE-KRWDZBQOSA-N 363.200 3.697 0 1 FHAF C[C@@]1(c2ncccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332262 FSNGCRWAHNEQEE-WIYYLYMNSA-N 364.376 3.783 0 1 FHAF Clc1nccnc1N1CCC(c2nc3ccc4ncccc4c3[nH]2)CC1 587084847 IVUIUXWIRZAIFV-UHFFFAOYSA-N 364.840 3.939 0 1 FHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(Br)c(F)c2[nH]1 587094336 PWPIDDMVWKJUJX-RXMQYKEDSA-N 368.128 3.594 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(CC3CC3)n2)N1 587761671 CALKCFMYTFVSMH-BMLIUANNSA-N 364.262 3.818 0 1 FHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 587785819 OYTQZYDFHGQNSE-NEPJUHHUSA-N 372.222 3.664 0 1 FHAF CCCC(Br)(CCC)c1nc2ccc(-n3cnnn3)cc2[nH]1 586971477 SMIXKBMZFFMKKN-UHFFFAOYSA-N 363.263 3.729 0 1 FHAF Cc1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586953714 QOOIDQLQTIXNCY-UHFFFAOYSA-N 370.459 3.796 0 1 FHAF COC(=O)c1ccnc2[nH]c(C3(Nc4ccc(C)cc4)CCCC3)nc12 587237532 SFGPKVOXMZCBSD-UHFFFAOYSA-N 350.422 3.934 0 1 FHAF CC(C)n1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587579225 CNCVWFUYPGWAEQ-YLJYHZDGSA-N 350.374 3.873 0 1 FHAF FC(F)c1c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cnc2ncnn12 587127853 CBNWGDZXVUKBKV-UHFFFAOYSA-N 370.241 3.504 0 1 FHAF CCOC(=O)[C@@]1(c2cccnc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509482 SEFFRILXEQEFIW-NRFANRHFSA-N 369.392 3.523 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 587396946 XUZULGPNQDMHMX-QKKBWIMNSA-N 374.481 3.948 0 1 FHAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(=O)OCC)c1cccn1C 963242969 QUUYOBYWNRBKGE-HTAPYJJXSA-N 354.494 3.879 0 1 FHAF Cc1c(F)ccc2c1[C@](c1ccncc1)(c1ccc(C(=O)O)cc1)NCC2 962094690 UQZBSSNGGBWIPW-JOCHJYFZSA-N 362.404 3.665 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@H](c2c[nH]c3ccc(O)cc23)N1)C(F)(F)F 962759456 BJMGHEATJBKACM-IAGOWNOFSA-N 360.335 3.609 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1sc(N(C)C)nc1Cl 963051711 FPEIUISLXGWBPU-OAHLLOKOSA-N 374.897 3.654 0 1 FHAF CCOC(=O)Nc1ccc(NCc2cccc(C(F)(F)F)c2)nc1N 1772613011 IIDCLXVABKZALW-UHFFFAOYSA-N 354.332 3.863 0 1 FHAF Nc1nc(N)c2nc(CNc3c(Cl)cc(Cl)cc3Cl)ccc2n1 5974279 JZYLVYPKMNKCGP-UHFFFAOYSA-N 369.643 3.762 0 1 FHAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)CC(=O)N2 13761437 BYHTZWPPZDLFLX-KRWDZBQOSA-N 364.489 3.784 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)C[C@@H](C)NC4=O)c2nc1NC(C)(C)C 206123001 YYOMMRYHXLZQAT-LLVKDONJSA-N 363.465 3.818 0 1 FHAF O=C(NCCCc1ccc(Cl)cc1Cl)[C@H]1COc2ncccc21 205628366 ICVYFJUGDDMKTI-AWEZNQCLSA-N 351.233 3.613 0 1 FHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OCC3CC3)c2cn1)c1ccccc1 209396660 CUQDXUDVFIWXJF-GFCCVEGCSA-N 351.410 3.629 0 1 FHAF NC(=O)c1c[nH]c2ccc(-c3cccnc3)cc2c1=NCC1CCCCC1 1857596294 JKADCYKTYYGDKT-UHFFFAOYSA-N 360.461 3.810 0 1 FHAF CCN(C(=O)c1c(O)c2cc(SC)ccc2n(C)c1=O)c1ccccc1 605935 JAKIXXDJYXHLQL-UHFFFAOYSA-N 368.458 3.633 0 1 FHAF O=C(Nc1ccccc1)N1C[C@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356302046 KOMPLNJPTMMAAB-WMLDXEAASA-N 355.369 3.599 0 1 FHAF O=C1CN(C(=O)C2CCCC2)[C@@H](c2ccccc2)c2cc(F)ccc2N1 2456629 JOIKUPVEFYHDFR-FQEVSTJZSA-N 352.409 3.886 0 1 FHAF CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCOC2 6041287 OFCZCHWTORJLNM-UHFFFAOYSA-N 362.476 3.806 0 1 FHAF CC(=O)c1ccc(O[C@H]2C=C[C@H](c3ccc(Cl)cc3)O[C@@H]2CO)cc1 7992521 WAARVUWZNIKQDS-HSALFYBXSA-N 358.821 3.979 0 1 FHAF COc1cc(-c2cc(=O)c3c4c(c(O)cc3o2)CCC(C)(C)O4)ccc1O 59734876 FZANCCSFDNGROR-UHFFFAOYSA-N 368.385 3.983 0 1 FHAF biogenic CNC(=O)Oc1ccc(OCCOc2ccc(C(F)(F)F)cc2)cc1 103214451 SMCGNGNFTNKTSS-UHFFFAOYSA-N 355.312 3.881 0 1 FHAF COc1cc([C@@H]2CN=C(c3cn(C)c4ccccc34)O2)cc(OC)c1OC 27524672 BCBOSWVGLOIWDO-IBGZPJMESA-N 366.417 3.722 0 1 FHAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC=CCCCCN(C)C 2356683450 VNLQPSLXSAMMMJ-MLBCHFTJSA-N 367.574 3.520 0 1 FHAF COc1ccc(C(=O)[C@H](C)[C@H](C)C(=O)c2ccc3c(c2)OCO3)cc1OC 14760171 AHYFOLSREXSDSJ-OLZOCXBDSA-N 370.401 3.770 0 1 FHAF biogenic COc1cc(C(=O)N[C@H](C)c2cc(F)cc(F)c2)ccc1-c1cn[nH]c1 221730425 HYPWCTFOMRALRT-LLVKDONJSA-N 357.360 3.855 0 1 FHAF CCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 49069359 QUOVXGIAQFDLMF-UHFFFAOYSA-N 358.507 3.571 0 1 FHAF Cc1ccccc1-c1nc(N2CCC(O)CC2)ncc1-c1nc(C)c(C)o1 82177490 GWRGDOPYDSJHHE-UHFFFAOYSA-N 364.449 3.685 0 1 FHAF CCOC(=O)CCCN(C)[C@@]1(c2ccccc2Cl)CCCCC1=O 96911386 MLQTZSYHBXPNKI-LJQANCHMSA-N 351.874 3.954 0 1 FHAF CCC(=O)Nc1cccc(-c2nc(N=c3cc[nH][nH]3)c3ccccc3n2)c1 473085980 AEFWYAYAEQSTQD-UHFFFAOYSA-N 358.405 3.534 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C3CC3)nn2C)N1 587763643 KTHUBSIFEIPLOS-XYZCENFISA-N 364.262 3.823 0 1 FHAF NC(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195718 IUYYISIUVJJFGM-UHFFFAOYSA-N 356.429 3.869 0 1 FHAF COC(=O)c1occc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587826955 HGARZABJUYPNEV-RMLUDKJBSA-N 368.202 3.591 0 1 FHAF COc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Cl 587043378 QCXYFSKVKIIRBU-LBPRGKRZSA-N 353.875 3.845 0 1 FHAF COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2c(C(=O)O)cccc12 587638526 NAMYXCBFOAUBRM-UHFFFAOYSA-N 357.749 3.542 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1CCN(C(=O)OC(C)(C)C)C1)O2 587395852 OTAUHWGCRBDVJG-ZUOKHONESA-N 360.454 3.558 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC2(C(=O)O)CCC2)N1 587829054 VSSZHWYRVZPKPV-QLJPJBMISA-N 370.262 3.983 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnn(C)c1C(F)(F)F)CC2=O 587464789 YREYZPYBRBMZFB-AWEZNQCLSA-N 354.328 3.804 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC)cc(OC)c2[nH]1 586918671 ZQDPLIRDNDDLKR-BTYIYWSLSA-N 366.417 3.797 0 1 FHAF Cc1ccc2c3c(c4c(nc13)CC[C@]1(CNC(=O)C1)C4)-c1ccccc1C2=O 587097102 POSFSEQBDCWGBN-DEOSSOPVSA-N 368.436 3.750 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1cc(Cl)cn1 587870663 GBEQGJVIPWWACB-NSHDSACASA-N 362.792 3.839 0 1 FHAF C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@@H]1C 587355008 PLMNVTKMZYQRFX-HLCRBGACSA-N 354.377 3.874 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)OC(C)C)cc1)O2 587401591 STFONXUWQSDWQU-LJQANCHMSA-N 369.417 3.614 0 1 FHAF COc1cccc(C)c1[C@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962767747 QQBWOQDWWAYAEL-HNAYVOBHSA-N 363.379 3.913 0 1 FHAF CN1CCc2c(Br)cccc2[C@H]1c1c(Cl)ccnc1N 963289218 JUNPNFDBFUQVRQ-AWEZNQCLSA-N 352.663 3.657 0 1 FHAF CCCC[C@@]1(c2ccc(C(=O)OC)cc2)NCCc2nc3ccccn3c21 962983685 MDGGBXQMTBYNAF-QFIPXVFZSA-N 363.461 3.700 0 1 FHAF CCn1cc([C@@]2(CC)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c(C)n1 962557830 AGWIEKDOLSBFQL-QKKBWIMNSA-N 357.498 3.759 0 1 FHAF CCCOC1=C(C(=O)O)[C@H](c2ccc3c(c2)OCO3)Oc2ccccc21 13473338 WESUKUIFGNEJJQ-SFHVURJKSA-N 354.358 3.771 0 1 FHAF OCCCNc1ncc(-c2cncc(Nc3cccc(Cl)c3)n2)s1 13612186 UJWGPYCAVBVVHJ-UHFFFAOYSA-N 361.858 3.791 0 1 FHAF Cc1nc2cccc3c2nc1N[C@@H](C)/C=C/C[C@H]1CNC(=O)c2cc-3[nH]c21 150031056 DDQXBYGNFGPJRL-JZLDWQBISA-N 359.433 3.521 0 1 FHAF O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(F)c(F)cc21 201618553 JUZCKMLQFMRNGR-UHFFFAOYSA-N 352.749 3.948 0 1 FHAF Cc1cccc(C(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)c1 205709439 PVIHWTPWQSMZJM-PGVBMLAISA-N 354.494 3.685 0 3 FHAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@@H](O)[C@H]1CC=CCCCC(=O)OC 2356306632 OSDWCUBYCGMKAM-GBESFXJTSA-N 366.498 3.772 0 1 FHAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1Cc2ccccc21 28568984 XWOWAOGKMPUIDL-QFIPXVFZSA-N 374.528 3.813 0 1 FHAF COc1cc(/C=C/C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc(OC)c1OC 100523481 MMMFYPLHQSTVKB-CWXRESMZSA-N 359.466 3.667 0 1 FHAF C[C@@H](c1cccc(N2CCOCC2)c1)N(C)C(=O)/C=C/c1ccccc1 26726476 JCCNONGEAGVFFM-DXRVJIQQSA-N 350.462 3.756 0 1 FHAF COCc1c(-c2nc(-c3cccc(CO)c3)no2)cnn1C1CCCCC1 114612322 FTCUTSOFZVRXPG-UHFFFAOYSA-N 368.437 3.744 0 1 FHAF CC1=C[C@H](OC(=O)c2ccccc2)[C@H]2[C@@](O)(C(C)C)CC[C@]2(C)C[C@@H]1O 2356706219 XUBRQXOGVTUWAS-XUJOWKJQSA-N 358.478 3.726 0 1 FHAF CCN(CC)C[C@H](O)COc1ccc(F)cc1C(=O)CCc1ccccc1 73169247 MYOFINYJJNCNPU-IBGZPJMESA-N 373.468 3.723 0 1 FHAF CCOc1ccccc1-n1c(CN2CCCCC2)nc2ccccc2c1=O 36381356 HQRJZELICMSHCX-UHFFFAOYSA-N 363.461 3.770 0 1 FHAF CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 40423970 SDACUZYAALMFIV-IBGZPJMESA-N 358.413 3.520 0 1 FHAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)NC3COC3)ncc2c1 144335581 DSRKIDIIFYODLH-UHFFFAOYSA-N 351.381 3.870 0 1 FHAF Cc1ccc(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)nc1 143109686 SFKRVRLQTAMDGK-UHFFFAOYSA-N 370.460 3.646 0 1 FHAF COc1cccc(CO[C@@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(C)=O)c1 299813592 AJPWQTJSSAKUPS-BDTNDASRSA-N 368.429 3.840 0 1 FHAF COc1cc2c(cc1OC1CCCC1)CN(C(=O)c1ccccn1)CC2 473249293 UEPIOGXTMVWFPM-UHFFFAOYSA-N 352.434 3.610 0 1 FHAF CC(=O)c1nnn([C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c1C 653740443 JJKKTZSPPSRGAB-OAHLLOKOSA-N 364.236 3.582 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1cc3c(ccn3C)cc1[C@@H](N)CC2 653687573 KCPDQMVRGUHBGN-INIZCTEOSA-N 352.434 3.817 0 1 FHAF Cc1ccnc2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc12 587002462 GEVCGEMVPDLXKA-SNVBAGLBSA-N 372.222 3.664 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@]2(C(N)=O)CC[C@@]1(C)C2(C)C 587471544 SXGLEJVFHMXQKT-BHDDXSALSA-N 371.477 3.750 0 1 FHAF COc1cc(-c2nc3c(C)ccc(C)c3[nH]2)ccc1OCC(=O)NC(C)C 587227151 ZVUYBOMTXPFRAG-UHFFFAOYSA-N 367.449 3.759 0 1 FHAF COc1nccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586914451 MDRNDVNOYFQIAL-UHFFFAOYSA-N 361.357 3.735 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)([C@H]1COc3ccccc3O1)CC2=O 587482293 DPSLKJNVJDNLPQ-TZIWHRDSSA-N 354.402 3.909 0 1 FHAF CCOC(=O)Cc1cccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401232 ULPPUDKCYQKBMT-KRWDZBQOSA-N 367.445 3.649 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(Cl)c(C)c2[nH]1)C(C)C 586932109 APFLKHCSGYFNDA-AWEZNQCLSA-N 357.907 3.941 0 1 FHAF COC(=O)C1=C[C@]2(CCC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587808741 PDBGRYKUKUQOQJ-QGHHPUGFSA-N 368.246 3.601 0 1 FHAF CC[C@@]1(c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587753550 BDBASXQKHAVWRQ-QGHHPUGFSA-N 366.278 3.818 0 1 FHAF COC(=O)C1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587349008 IAXKXFBKXWXEOG-XLIONFOSSA-N 370.376 3.602 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3/C=C/C(=O)O)nc2c1 586882192 MLLYQXVPOZQSAK-VOTSOKGWSA-N 356.765 3.768 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)s2)N1 587845285 DLFRNAUWFYJHJH-JKYUHCHBSA-N 370.243 3.972 0 1 FHAF COc1ccccc1-c1nn(C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587390902 KAUOXMJYOBXTLZ-LJQANCHMSA-N 363.417 3.693 0 1 FHAF CCOc1cc(/C=C/c2nc3cccc(C(N)=O)c3[nH]2)ccc1OC(F)F 587129010 ALALZHPQHRWNSN-VQHVLOKHSA-N 373.359 3.832 0 1 FHAF N[C@@]1(c2nc3ccc(Br)c(F)c3[nH]2)C[C@@H]1c1ccccc1F 587158978 ZKEBRIXUYCGTJE-ABKXIKBNSA-N 364.193 3.945 0 1 FHAF Cc1ccc(Br)c([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963039671 ZJODUKBYZKFDFP-HXPMCKFVSA-N 371.278 3.900 0 1 FHAF COC(=O)C[C@]1(C)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831792 JNEHGDSJTSKZJU-QFIPXVFZSA-N 364.445 3.671 0 1 FHAF COc1cccc2cc3c(nc12)[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)NCC3 963066057 LLUZGUQUJKZZGR-NFBKMPQASA-N 373.500 3.952 0 1 FHAF CCOC(=O)[C@H](F)[C@]1(CC)NC2(CC2)Cc2ccc(Br)cc21 961316699 CPSGBHURWLLRPA-WMLDXEAASA-N 370.262 3.634 0 1 FHAF COc1ccc([C@@H]2CCN(C(=O)c3cccn3C)C2)cc1OC1CCCC1 13741128 MSNXVZRLTSSQKT-QGZVFWFLSA-N 368.477 3.985 0 1 FHAF COC(=O)c1cccc(N)c1-c1cnc2[nH]nc(-c3ccc(OC)cc3)c2c1 169329632 RPZANRUXJYCCEG-UHFFFAOYSA-N 374.400 3.669 0 1 FHAF Cn1c(=O)ccc2c(NC(=O)N[C@H]3CC[C@H](c4ccccc4)C3)cccc21 169704978 ADHPABPSTJYXKJ-IRXDYDNUSA-N 361.445 3.996 0 1 FHAF Cc1nc2cnccc2n1-c1ccc(-c2cc(=O)n(-c3ccccc3)[nH]2)cc1 169713864 DAJHIXMRKPZVFG-UHFFFAOYSA-N 367.412 3.875 0 1 FHAF CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CC[N@@]2C[C@H]2C)c(C)c1 1857742113 NCVFXEZVQBNROF-UTKZUKDTSA-N 365.539 3.934 0 1 FHAF O=C1OC2(C[C@@H]1C1(O)C3CC4CC(C3)CC1C4)C1CC3CC(C1)CC2C3 1635011 LLHZVXNVHFKRNL-BWJJHSKYSA-N 356.506 3.932 0 1 FHAF COc1ccc2c(c1)c1c(n2CCN(C)C)-c2cccc(OC)c2CC1 1651456 HSTBMJJSQMRESP-UHFFFAOYSA-N 350.462 3.986 0 1 FHAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(O)cc1 4194101 VDWNHIZOIWKVDP-ZDUSSCGKSA-N 355.419 3.824 0 1 FHAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)N[C@H](C)c2ccccc2)cc1 2356289999 FYVPNPRZIYKDEL-ZIAGYGMSSA-N 366.417 3.895 0 1 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 101761576 VDSHRIABCYXDCJ-LNQQEWOJSA-N 353.506 3.979 0 1 FHAF COc1c(CC=C(C)C)c(O)cc(O)c1[C@H]1Oc2cc(O)ccc2C1=O 100823864 WLDXQYSLYHUZTM-HXUWFJFHSA-N 356.374 3.637 0 1 FHAF endogenous,in-man Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(Cl)cc(=O)n(C3CC3)c12 1911582976 CSOHGZRNROBTAF-NWDGAFQWSA-N 363.864 3.611 0 1 FHAF COc1ccc(-c2c(C)nc3c(N4CCCC4)cc(C)nn23)cc1OC 1911585720 LPCBXQPNRDCSKH-UHFFFAOYSA-N 352.438 3.631 0 1 FHAF COc1ccccc1CNC(=O)c1ccc(C)c(-n2cnc3cccnc32)c1 8592595 NNOCTTSVYUQACY-UHFFFAOYSA-N 372.428 3.668 0 1 FHAF CCCC[C@@H](O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 26839082 XEOCZFWFKLSVHM-MKFBDIFTSA-N 368.514 3.564 0 1 FHAF COC(=O)C1=CC=C[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=C[C@@H](OC)OC1=O 2356484055 HVIZCRZXNRVXKY-SOSNMWEESA-N 374.477 3.950 0 1 FHAF Nc1cnccc1NC(=O)OCc1ccc(OC(=O)c2ccccc2)cc1 73199873 GTKFWYPBASMQHW-UHFFFAOYSA-N 363.373 3.632 0 1 FHAF CN(CCOc1ccc2cc(C(=O)O)[nH]c2c1)c1nc2ccccc2s1 71331273 KNPMZDMDCBMCMD-UHFFFAOYSA-N 367.430 3.991 0 1 FHAF CCCOC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl 98083577 WSTKPUFWCZJXBS-UHFFFAOYSA-N 365.788 3.790 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)c(N)c2)N1 587744487 BTKMNMDVVNMMLI-XLFHBGCDSA-N 364.262 3.550 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587493002 ZZEPCSVCSNLTCL-WFGDNEMVSA-N 358.434 3.960 0 1 FHAF Cc1ncn(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587754211 KPYVBTPNZWIIPA-DYZYQPBXSA-N 366.278 3.851 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3CC[C@H]2N3C)N1 587772842 XISFMIQXTDPRPB-ZSRFRPKPSA-N 353.279 3.574 0 1 FHAF CC[C@@]1(C2CCNCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587792211 HEBPHEAIJZTKTG-DIFFPNOSSA-N 355.295 3.727 0 1 FHAF Cc1nc2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2cc1Br 587156623 OHBRJJNYIYXAQY-QLJPJBMISA-N 361.218 3.509 0 1 FHAF COc1cc(OC)c2[nH]c(CCCc3ccc(OC)c(OC)c3)nc2c1 587925899 SQUIZJLEXKMGJU-UHFFFAOYSA-N 356.422 3.773 0 1 FHAF CC(C)(C)OC(=O)N1CC[C@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587875169 HCHQSKGMTFNCTC-NSHDSACASA-N 373.384 3.692 0 1 FHAF CC(=O)SCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611597 GUYCQWHQCWZHQO-NVXWUHKLSA-N 358.415 3.782 0 1 FHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc4c(cc3[nH]2)OCCO4)s1 587023329 NQCFJYOAQSCFIQ-UHFFFAOYSA-N 374.422 3.805 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)O)cs2)N1 587844438 AANAJAVUQOQLPZ-JKYUHCHBSA-N 370.243 3.972 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1cnn3-c1ccccc1)O2 587390775 IRVHEIORDBPZME-QFIPXVFZSA-N 359.429 3.960 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OC)OCO3)CC2=O 587491596 OFWOFOBKHNZPIV-KRWDZBQOSA-N 356.374 3.789 0 1 FHAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cnccc2[nH]1 587167487 OIDGVTAPMDUYBR-UHFFFAOYSA-N 374.422 3.626 0 1 FHAF COc1ccc2c(c1OC)[C@@H](c1cn3ccc(C)cc3n1)N(C)[C@H](C)C2 962629697 PUAONHGHLPFGOF-JLTOFOAXSA-N 351.450 3.626 0 1 FHAF Cn1cccc1CN1CCc2sccc2C12CN(C(=O)OC(C)(C)C)C2 962399559 RCGOYGUXBXRUPL-UHFFFAOYSA-N 373.522 3.591 0 1 FHAF CCn1cc([C@]2(CC)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c(C)n1 962557840 AGWIEKDOLSBFQL-SPLOXXLWSA-N 357.498 3.759 0 1 FHAF O=C(NC[C@H]1CC[C@H](Oc2ccnc3c(F)cccc23)CC1)c1ccon1 1772572955 GPIBRJSMBUXWNO-HDJSIYSDSA-N 369.396 3.730 0 1 FHAF CC1=C(C(=O)N[C@@H](C)CCc2ccccc2)C2(CCC(C)CC2)OC1=O 5058777 KMYCZKWWYWTWHE-BXFSZVDSSA-N 355.478 3.946 0 3 FHAF C[C@H]1CCCN(CC[C@H](C)N(C)S(=O)(=O)c2cccc3ccccc23)C1 13531246 XZYWRBPKJXHPIN-ROUUACIJSA-N 374.550 3.971 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1OC 169723940 OAFROFJQCKZNMF-WMZOPIPTSA-N 373.449 3.658 0 1 FHAF O=C(Nc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CCCC1 1857591246 IPTALSQODYZAMP-UHFFFAOYSA-N 363.410 3.722 0 1 FHAF O=C(/C=C/c1ccccc1)OCCCc1cn(Cc2ccccc2F)nn1 1857618319 LNYDNWGDJYZZSB-OUKQBFOZSA-N 365.408 3.655 0 1 FHAF Cc1cc(C2=C[C@H](c3ccccc3)N(C(=O)c3ccncc3)N2)ccc1O 103200447 PUZHEAKRWJBFAG-HXUWFJFHSA-N 357.413 3.838 0 1 FHAF C[C@H]1CN(CC(=O)O)[C@H](C)CN1c1ccccc1Sc1ccc(O)cc1 28367197 PCQJAOOELCNQMN-CABCVRRESA-N 372.490 3.527 0 1 FHAF COc1ccc2nc(C(F)(F)F)c(C(=O)Nc3nccs3)c(O)c2c1 29245652 ULFFWOLUINVVIA-UHFFFAOYSA-N 369.324 3.677 0 1 FHAF COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCCc1cccs1 115793044 ZOPGBOGFULRHEH-XNTDXEJSSA-N 361.444 3.702 0 1 FHAF COc1cccc2[nH]c3c([C@@H]4[C@@H](C(C)(C)O)CC[C@@]4(C)O)nccc3c12 2356476214 DJJGELHJLSQCQK-IBNJYYFUSA-N 354.450 3.740 0 1 FHAF CC[C@@H]1C2=CCCCn3c([C@@H]4C[C@H](C)C(=O)O4)cc(c32)[C@@H]2[C@H](C)C(=O)O[C@H]21 2356681263 NXXRQRYLLDGROE-YIRPPZCASA-N 369.461 3.974 0 1 FHAF COC(=O)C1=C(Cc2ccccc2)NC(=O)N[C@H]1c1ccc2ccccc2c1 33914818 KORAVFADPQXWNG-NRFANRHFSA-N 372.424 3.864 0 1 FHAF Cc1ccc(N2CCc3ncnc(NCc4ccc(F)c(F)c4)c3C2)nc1 35077856 AGALZLPLRSSCSZ-UHFFFAOYSA-N 367.403 3.633 0 1 FHAF COc1ccc(CC2CCN(C(=O)c3cc4ccc(O)cc4[nH]3)CC2)cc1 35259668 WRZWZVCAXXDIPC-UHFFFAOYSA-N 364.445 3.977 0 1 FHAF COc1cc2c(cc1O)C[C@H]1c3cc(OC)c(OC)cc3CCN1[C@H]2C 13408950 HEZATOQIKMHZNZ-SJCJKPOMSA-N 355.434 3.635 0 1 FHAF biogenic CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccncc2)ncc1C(F)(F)F 40835401 CACAHNPUHHBBQA-ZIAGYGMSSA-N 366.391 3.529 0 1 FHAF N[C@H]1Cn2c(nc3c(F)c(F)c(F)cc32)C[C@@H]1c1cc(F)c(F)cc1F 43120238 BVVMPTDXHTYJIV-KRTXAFLBSA-N 371.284 3.538 0 1 FHAF NCCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 49072066 VPWALYHGDSWLPU-HXUWFJFHSA-N 363.509 3.967 0 1 FHAF Cc1ccccc1CNc1ncnc2c1nc(C1CC1)n2C[C@H]1CCCO1 82180524 XHDYBZFHPZFXQU-QGZVFWFLSA-N 363.465 3.803 0 1 FHAF CC(=O)Nc1cccc(-c2ccc3c(c2)SC(=N)N2CCCN=C32)c1 95573133 MQXGQLRYZQVIEM-UHFFFAOYSA-N 350.447 3.805 0 1 FHAF COC(=O)[C@H]1[C@H](c2ccc(-c3cccc(N)c3)cc2)C[C@H]2CC[C@H]1N2C 253633152 FNFCKPGBCJVUBJ-MHTWAQMVSA-N 350.462 3.675 0 1 FHAF CCC(CC)NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cnc1N 473097988 DXOKCBXWBDJBQC-UHFFFAOYSA-N 352.360 3.663 0 1 FHAF Cc1nc2[nH]c(/C=C\C(=O)Nc3ccccc3)nc2cc1Br 587245526 YVZYMCONCKPVQF-FPLPWBNLSA-N 357.211 3.681 0 1 FHAF Oc1nc(O)c2ccc(-c3cc(Br)ccc3Cl)nc2n1 587366302 MSIYAYCATPNEFO-UHFFFAOYSA-N 352.575 3.519 0 1 FHAF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@](O)(c1nccn1C)C(F)(F)F 587624858 VDSRAZIURPOWAH-OAHLLOKOSA-N 357.763 3.970 0 1 FHAF CCn1nccc1[C@]1(/C=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587517904 WZKFCQAIXHYEHM-QYQIINSRSA-N 365.477 3.718 0 1 FHAF CCCOc1cc2nc(C[C@@H](C)CC(=O)OC)[nH]c2cc1Br 587783454 RTMAOWLBARHBCG-SNVBAGLBSA-N 369.259 3.856 0 1 FHAF Cc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1F 587038320 QOXYMIPUMCXXHD-SNVBAGLBSA-N 371.441 3.758 0 1 FHAF CNc1ncccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587743458 OPBDZNPADPPVEU-VFZGTOFNSA-N 350.235 3.649 0 1 FHAF CCOC(=O)C[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800238 WERRQWDZLMMDGH-MGPLVRAMSA-N 358.251 3.681 0 1 FHAF CCN1CC[C@]2(C[C@H]1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587762854 UWHCZYIAIYYFOM-XWCIJXRUSA-N 355.295 3.822 0 1 FHAF COC(=O)c1coc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587827767 KVAVGZUWKADIEB-VXJOIVPMSA-N 368.202 3.591 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)cc(O)cc1OC)CC2=O 587476167 DVYUGXMUYBCRSD-SFHVURJKSA-N 358.390 3.774 0 1 FHAF Cc1ccc(CSCCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 586971164 NXMHWQRFKBSDGI-UHFFFAOYSA-N 360.504 3.751 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](CC(=O)O)[C@H]2C)N1 587825395 CWCWBQOUTBICIO-QALDDWHKSA-N 370.262 3.839 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1C1CCCCC1)[C@@H](C2)C3=O 587433188 WBWXQKDWWVVPLM-YCRPNKLZSA-N 352.434 3.965 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(CN1Cc3ccccc3C1=O)CC2=O 587484782 GDQJGLRVCMRTSB-JOCHJYFZSA-N 365.429 3.725 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)OC(C)(C)C)[C@H]1C)O2 587397297 ZNCUPMYDMUFHEY-RNODOKPDSA-N 360.454 3.701 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3n[nH]cc32)[C@@H]1c1ccc(F)cc1 587346120 LETGSEHOBKQAIZ-TZIWHRDSSA-N 364.376 3.845 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OC)c(OC)c1)[C@@H](C2)C3=O 587421544 NAUXLDYYHIXQON-SGTLLEGYSA-N 360.793 3.855 0 1 FHAF Fc1cnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc2c1 587016408 AQIJKQOSTFTWSS-UHFFFAOYSA-N 362.393 3.934 0 1 FHAF Oc1ccc2c(c1)[C@@](Cc1nc3ccccc3[nH]1)(c1cccs1)NCC2 963328763 IOSKRUMHEXSZKD-NRFANRHFSA-N 361.470 3.962 0 1 FHAF CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccccc1O)[C@@H]23 1772580433 HCXNRWVLYWCCDE-DIJFTKHXSA-N 356.510 3.897 0 1 FHAF Cc1c(-c2ccc(N3CCC[C@H]3CO)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772608026 ZKOAVOWXDUBAIP-INIZCTEOSA-N 370.399 3.743 0 1 FHAF CC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCc2ccccc2C1 1772581116 JOHSWCYTWCMYQU-LJQANCHMSA-N 365.456 3.715 0 1 FHAF O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(O)nc1C(F)(F)F 13555181 WAOXRUWLDSCAIB-UHFFFAOYSA-N 352.099 3.760 0 1 FHAF CN1CC(COC(=O)C2CCCC2)=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 13793989 ODFXUGZVPMRSCU-UYAOXDASSA-N 350.462 3.781 0 1 FHAF COC(=O)c1ccc2nc(-c3[nH]cnc3C)c(NC3CCCCC3)n2c1 1857610211 BEWYZTFHZFTSKH-UHFFFAOYSA-N 353.426 3.564 0 1 FHAF Cc1nc(C)c(COc2ccc(COC(=O)c3cccnc3)cc2)nc1C 1857629877 HKXHQQFOSCWBQT-UHFFFAOYSA-N 363.417 3.733 0 1 FHAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3[C@@H](O)C[C@@H]4C[C@@]3(CC[C@H]12)C[C@]4(C)O 2356440751 OSXQLEITCURIQP-PZESTUNMSA-N 364.526 3.684 0 1 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCC(C)(C)CO 4273820 NIUBQNUJSBZVMX-IAGOWNOFSA-N 366.527 3.897 0 1 FHAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2cc(F)ccc2F)cc1 100107233 SYVZHKWZUJLYQX-JOBHKAQDSA-N 369.415 3.970 0 1 FHAF O=C(N1C[C@H]2C[C@]2(c2c[nH]c3ncccc23)C1)C1(c2ccc(F)cc2)CC1 101528811 NVEWYSISVYQERO-QRQCRPRQSA-N 361.420 3.534 0 1 FHAF CC1(C)[C@H]2CC[C@@](C)(C2)[C@H]1NS(=O)(=O)c1ccc(Br)cc1 100824018 SYWYQEXZLWDQAN-PJODQICGSA-N 372.328 3.942 0 1 FHAF COCC(=O)N(c1ccccc1)[C@@H]1CCN(CCc2cccs2)C[C@@H]1C 26727892 CUAPIPQGWMKVBV-FXAWDEMLSA-N 372.534 3.681 0 1 FHAF COc1ccc2oc(/C=C/c3cc(OC)c(OC)c(OC)c3)cc(=O)c2c1 103171688 ALBKGOPRSSKSCW-AATRIKPKSA-N 368.385 3.998 0 1 FHAF O=C(c1ccc(Oc2cccc(F)c2)nc1)N1CCCN(C2CCC2)CC1 53294625 TYYPWLNLMMRCKN-UHFFFAOYSA-N 369.440 3.713 0 1 FHAF CN1CCN(C[C@H](c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1 22942492 LGRZVDOIDOOMRO-GOSISDBHSA-N 370.459 3.732 0 1 FHAF in-vitro O=S(=O)(c1cccc(Cl)c1)n1cc(C[C@@H]2CCCN2)c2ccccc21 28524027 IIOWDIVGDZDQHO-INIZCTEOSA-N 374.893 3.826 0 1 FHAF CCc1ccccc1C(=O)NCCCCCC(=O)Nc1ccccc1N 117581597 CJQROCYTZGMXJM-UHFFFAOYSA-N 353.466 3.760 0 1 FHAF COc1ccc(-c2csc([C@H](NC(C)=O)c3cccc(F)c3)n2)cn1 61925834 KKLJBDYAMUOCNR-QGZVFWFLSA-N 357.410 3.578 0 3 FHAF C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27560899 BLJVFAPRNAIBDS-MRXNPFEDSA-N 366.461 3.795 0 1 FHAF CNc1nc(C)c2cc(-c3cccc(O)c3)c(=O)n(C3CCCC3)c2n1 117705518 IUSVUKQHUCJAFS-UHFFFAOYSA-N 350.422 3.629 0 1 FHAF O=C(O)c1cnn(Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1 115474662 IMCDNXHGJSFPLN-UHFFFAOYSA-N 353.325 3.772 0 1 FHAF Nc1nc(N)c2c(CCCc3ccc(OCc4ccccc4)cc3)c[nH]c2n1 38224761 AYHBAWVKXMFVHV-UHFFFAOYSA-N 373.460 3.877 0 1 FHAF O=C(O)c1ccc(C(=O)O)c(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 40408791 IQMJGZDTKVHSRN-UHFFFAOYSA-N 373.364 3.907 0 1 FHAF COc1cc(OC(F)F)cc2c1nnc1c(C)nc(-c3ccncc3C)n12 84687780 QBLWGJRSTWQUGT-UHFFFAOYSA-N 371.347 3.566 0 1 FHAF Cc1ccc(N2c3cc(Cl)ccc3S(=O)(=O)c3c(N)n[nH]c32)cc1 40421779 CGYPNNWIZFULIZ-UHFFFAOYSA-N 360.826 3.570 0 1 FHAF OC[C@H]1CCCCN1c1cc(-c2ccccn2)nc(Nc2ccccc2)n1 230560462 AQSAUJOSPVHKGC-QGZVFWFLSA-N 361.449 3.633 0 1 FHAF CCN(CC)CCCC(=O)Nc1nc(C)c(OCc2ccccc2)c(C)n1 95578513 ISVRDFNNWKXXET-UHFFFAOYSA-N 370.497 3.733 0 1 FHAF Cc1ccc(F)c2c3c([nH]c12)CCN(C(=O)c1cc(C(F)(F)F)n[nH]1)C3 2382216969 JFPPFEYKNSPSTH-UHFFFAOYSA-N 366.318 3.556 0 1 FHAF O=C1c2ccc(C(F)(F)F)cc2O[C@@H]2c3[nH]c4ccc(O)cc4c3CCN12 474609652 SASPZHJZCPMPKL-GOSISDBHSA-N 374.318 3.982 0 1 FHAF COc1ccc(OC)c(Sc2ccc3ncc(-c4cnn(C)c4)n3c2)c1 299831378 OFQPICHKSZGJBA-UHFFFAOYSA-N 366.446 3.903 0 1 FHAF CCCCN(C)C(=O)c1cc2c(C(=O)OCC)ncn2c2ccccc12 653834974 PVMOHURHTSNEOO-UHFFFAOYSA-N 353.422 3.536 0 1 FHAF CCOC(=O)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800728 YNWDNTQFDFUNSB-QLJPJBMISA-N 358.251 3.681 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C)C(=O)O)cc1)CC2=O 587486702 STHQVJMCBLBUEL-BUXKBTBVSA-N 370.401 3.903 0 1 FHAF COc1cccc(-c2nc3ccc(I)cc3[nH]2)c1O 587787460 TXKXUTUOXUCYIF-UHFFFAOYSA-N 366.158 3.549 0 1 FHAF Brc1ccc([C@H](c2nc3cccnc3[nH]2)N2CCCC2)cc1 586983935 DIJNRVWXLJVPJB-OAHLLOKOSA-N 357.255 3.906 0 1 FHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(Cl)ncnc3[nH]2)c1 587240587 KWVUDJWPEIBRQI-UHFFFAOYSA-N 361.789 3.726 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@H]2CC3=O)N1 587818968 TXFJLJQJXJVNPT-NUXYAOMOSA-N 352.247 3.707 0 1 FHAF O=C1CC2(CCN(C(=O)C3CCC3)CC2)Oc2c1ccc1c2CCCC1 587511995 BGVIGDMPBOBZLQ-UHFFFAOYSA-N 353.462 3.692 0 1 FHAF O=C(CCc1cccnc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658362 MZETUWLNHOBCAB-UHFFFAOYSA-N 373.387 3.871 0 1 FHAF CC1(C)[C@H]2OCC[C@H]2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587608448 LBJPOBOSVGKMRZ-ZSHSRKOISA-N 352.386 3.538 0 1 FHAF COC(=O)c1ccc2nc(C/C=C\c3ccc(OC)cc3OC)[nH]c2c1 587930315 TVWNSTBFUBRJAY-PLNGDYQASA-N 352.390 3.623 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(C(F)F)n2)N1 587713042 BUZCNZOESFDWSA-FUXBKTLASA-N 360.177 3.803 0 1 FHAF C[C@H](Oc1ccc2c(c1)CCC2)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652127 LHWZIKAQJCIUSB-LBPRGKRZSA-N 368.820 3.646 0 1 FHAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(C)cc1C)[C@@H](C2)C3=O 587447331 QFNVQPZBOXJRID-HTAPYJJXSA-N 366.413 3.820 0 1 FHAF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@H](NC(=O)OC(C)(C)C)C(=O)O 587630709 AYCLUJVGLFJXFO-ZDUSSCGKSA-N 356.781 3.919 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCC(=O)O)c3ccccc13)O2 587392565 ZNZVAYKLBVRCBC-LJQANCHMSA-N 364.401 3.713 0 1 FHAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc3cn[nH]c3cc2[nH]1 587120975 LPKUVEPYKFJRQF-UHFFFAOYSA-N 360.221 3.867 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc(Br)c1O)O2 587385041 LJGYXMBQHKHDCL-CQSZACIVSA-N 366.186 3.891 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(C)cn1)[C@@H](C2)C3=O 587411198 BZWXJMRXZIBMMF-GTNSWQLSSA-N 360.207 3.650 0 1 FHAF CC(C)c1nn(C)c2c1[C@@](C)(c1ccc(Oc3cnccn3)cc1)NCC2 962912646 ADEJYPBYIKZIIC-OAQYLSRUSA-N 363.465 3.535 0 1 FHAF COc1ccc(F)cc1Cn1cc(C(=O)NCC2CC2)c2nccc(C)c21 169351321 IZQKIVDAMWYJOP-UHFFFAOYSA-N 367.424 3.681 0 1 FHAF O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2ccccc2C1 1545353 NPACWPMACBPAAD-UHFFFAOYSA-N 354.494 3.534 0 1 FHAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 4041417 OMSVTEYNWPVZRD-PZJWPPBQSA-N 365.477 3.761 0 1 FHAF CC[C@H](C)NC(=O)c1ccc2c(SCC(=O)O)c3c(nc2c1)CCCC3 4885228 VQXOAJNZCPCACV-LBPRGKRZSA-N 372.490 3.819 0 3 FHAF O=C(CCc1nc(-c2cccs2)no1)NCc1ccc(F)cc1Cl 4969566 AKQCIYSEXRDIJY-UHFFFAOYSA-N 365.817 3.840 0 3 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 101741312 QKEMXTZZPULBCH-AGLCBUGJSA-N 353.506 3.835 0 1 FHAF COc1cccc(-c2nc3ccc(C(=O)O)cc3nc2N(C)C(C)C)c1 116231489 SAZXAYVKLHFVGW-UHFFFAOYSA-N 351.406 3.848 0 1 FHAF CCN(Cc1ccccc1)C(=O)Cn1ncc2c3cc(C)ccc3nc-2c1O 103536762 QDFQMUDDZPDWOQ-UHFFFAOYSA-N 374.444 3.599 0 1 FHAF Cc1ccc2nc(N3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)[nH]c2c1 21714485 ZLRCLJQAEWVFPR-MRXNPFEDSA-N 362.477 3.965 0 1 FHAF CCN(CC)CCCNC1CCN(CCc2ccc(Cl)cc2)CC1 28135026 HOMYECOEFPGVBU-UHFFFAOYSA-N 351.966 3.668 0 1 FHAF CC=CC=C1C(=O)Oc2cc(Br)c(O)c(Br)c21 2356634916 OCSJCPHDLQCWEI-UHFFFAOYSA-N 360.001 3.796 0 1 FHAF CCS[C@H]1C[C@@H]2C(=O)Nc3ccc(-c4ccccc4)cc3C(=O)N2C1 2356693097 XEFIMVCWHURTBU-MAUKXSAKSA-N 352.459 3.642 0 1 FHAF COc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC(C)=O 73165716 NNUJDOLMAFGMSP-UHFFFAOYSA-N 355.177 3.575 0 1 FHAF COCCn1c(-c2ccc(Cl)cc2)nc2c(NCC3CC3)ncnc21 82179361 KARNKQROPAYGOQ-UHFFFAOYSA-N 357.845 3.615 0 1 FHAF Nc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(N)n3)cc2F)cn1 224855263 VZNDSEYMFHRHCD-UHFFFAOYSA-N 374.379 3.696 0 1 FHAF CCn1cnc2ccc3nc(C(=N)OCc4ccccc4)sc3c2c1=O 40379907 WSUSQFQQODISNM-UHFFFAOYSA-N 364.430 3.568 0 1 FHAF NCCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 49072068 VPWALYHGDSWLPU-FQEVSTJZSA-N 363.509 3.967 0 1 FHAF O=C(O)CCCC/C=C\CC(=O)CC/C=C/C=C\[C@H](O)CCCC(=O)O 85588825 RYMSXFPLTLWXCK-VJNSNPJLSA-N 366.454 3.655 0 1 FHAF endogenous,in-man CN(C)CCc1ccc(NC(=O)Nc2ccc(CCN(C)C)cc2)cc1 96922420 LGRJDHSASBSOJL-UHFFFAOYSA-N 354.498 3.539 0 1 FHAF COc1cc(C(=O)c2ccn(-c3cccc(F)c3)c2)cc(OC)c1OC 299826522 GWDPBAKIDKDGGZ-UHFFFAOYSA-N 355.365 3.873 0 1 FHAF Cc1cc(OCCn2c(O)cc(CC(=O)O)c2O)c(C(C)C)cc1Cl 587942886 DZNDVRQRCOIYTI-UHFFFAOYSA-N 367.829 3.691 0 1 FHAF CCO[C@@H](C)c1nc(C)c(-c2nc3nc(Br)c[nH]c-3n2)s1 587013959 DRBWLYSLSHCCEF-ZETCQYMHSA-N 368.260 3.596 0 1 FHAF Cc1c(Br)cnc2[nH]c(-c3csc4c3CCOC4)nc12 587031649 JWFYKYNTTCAJAA-UHFFFAOYSA-N 350.241 3.830 0 1 FHAF COc1ccc(/C=C/Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(OC)c1 587928436 CLDNBMIHHYNFSH-RTLBZRNLSA-N 352.394 3.560 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3cnccn3)s1)CC2=O 587498117 YRMGIHKFUZAEMP-INIZCTEOSA-N 367.430 3.965 0 1 FHAF Nc1cc(-c2nc3ccc(I)cc3[nH]2)ccc1F 587139427 JBECBJNQKPSUKO-UHFFFAOYSA-N 353.138 3.556 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)o2)N1 587828545 ODUYZFLUCGEZKI-NXSYQRQQSA-N 354.175 3.503 0 1 FHAF Cc1cncc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c12 587019448 NKFDAULRCKOCRS-UHFFFAOYSA-N 364.434 3.958 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@]1(CCCC[C@@H]1C(=O)C(C)(C)C)NCC2 962931590 OMBZEMQWALMPLN-VGOFRKELSA-N 356.510 3.535 0 1 FHAF C[S@@](=O)c1ccc([C@@H](Nc2cccnc2)C(=O)c2ccc(F)cc2)cc1 12352402 CNYVDGNVBLSXLF-BCHFMIIMSA-N 368.433 3.994 0 1 FHAF CCCCC[C@]1(C)/C=C/[C@@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 169290045 HWOPMIJWXGQTJL-WTOPNXMRSA-N 350.499 3.913 0 1 FHAF COc1cc(N(CC2CC2)c2ccccc2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O 1857542200 WSKZJDMMQXQZKD-IRXDYDNUSA-N 366.417 3.542 0 1 FHAF Cc1c(S(=O)(=O)Nc2cccc(CN)c2)sc2ccc(F)cc12 1857619048 OBQFFHVRBSBXRS-UHFFFAOYSA-N 350.440 3.608 0 1 FHAF O=C(O)CCc1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1F 1857766301 TXZFHKXKNNMNHE-CQSZACIVSA-N 366.772 3.715 0 1 FHAF O=S(=O)(NCc1ccc(-c2cccnc2)cc1)c1cc2ccccc2[nH]1 203659287 UWALDXIKYJKLLB-UHFFFAOYSA-N 363.442 3.708 0 1 FHAF Cc1cccc(N[C@@H](NC(=O)c2cccnc2)C(Cl)(Cl)Cl)c1 973365 IKRADFMZHVFMPG-AWEZNQCLSA-N 358.656 3.928 0 3 FHAF O=S(=O)(c1cccc2cccnc12)N1CCCC[C@@H]1c1cccnc1 2465286 NDLDUDGVPMDBSD-QGZVFWFLSA-N 353.447 3.546 0 1 FHAF CC(=O)N[C@@]1(c2ccc3ccccc3c2)C2=NCCCN2c2ccccc21 3778755 FHQDPMRMHCLVID-HSZRJFAPSA-N 355.441 3.842 0 1 FHAF CN1CCC(O)(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 3832115 ANPWOFIXNRYHFQ-UHFFFAOYSA-N 351.425 3.796 0 1 FHAF CCN1CCC[C@@H]1CNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4940314 ZUJAQNXITNYJQA-OAHLLOKOSA-N 371.912 3.981 0 1 FHAF CCCCn1cc(Br)cc(C(=O)NC2CCCCCC2)c1=O 103263600 LMVPFIHDCHVQMH-UHFFFAOYSA-N 369.303 3.864 0 1 FHAF COc1ccccc1N1CCN(CC[C@H]2CC(=O)c3ccccc3C2)CC1 28468983 GFLUBYHIHCFJLP-GOSISDBHSA-N 364.489 3.653 0 1 FHAF NCCCN1CCN(CCCCCCCCCOc2ccccc2)CC1 103193805 KBGZFQZZPDIJMD-UHFFFAOYSA-N 361.574 3.763 0 1 FHAF CC(C)CCNC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21 20512153 QFOGXJLAUGMECD-UHFFFAOYSA-N 369.490 3.745 0 1 FHAF O=C(O)/C(=C/c1ccc(-c2cccc(F)c2)o1)NC(=O)c1ccccc1 28523237 RTKYSMOZDAJBOS-ATVHPVEESA-N 351.333 3.941 0 1 FHAF CS(=O)(=O)c1ccc(-c2nc(Cl)cc(NCc3ccccc3)n2)cc1 29132716 VHCOHNSSZRPTGB-UHFFFAOYSA-N 373.865 3.813 0 1 FHAF COC(=O)CC1=C[C@H]2C[C@@H]3[C@@]1(CC[C@H](C)[C@@]3(C)CCC1=CC(=O)OC1)CO2 2356598396 OPAXJAJPWSLTMT-UXVDKCGKSA-N 374.477 3.581 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](N(C=O)C5CC5)CC[C@@H]4[C@@H]3CC[C@@H]12 36189722 SNGXJCVQBMSSNF-YKMMNSNLSA-N 372.553 3.839 0 1 FHAF CNc1nccc(-c2ccc(C(=O)NCCc3cccc(Cl)c3)s2)n1 36144154 YRCTVYMPNWIFAJ-UHFFFAOYSA-N 372.881 3.873 0 1 FHAF COC(=O)C1=C2[C@@H](CC(=O)C1)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]2OC(C)=O 14448657 JHCOOMLHVRTLHK-LHUKNYEISA-N 362.466 3.603 0 1 FHAF biogenic CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2F)n1 82152705 SRXBYVUFUIKAIQ-GASCZTMLSA-N 370.472 3.857 0 1 FHAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H](NC1CC1)c1ccccc1 49036487 SKYALJGMRAGHEN-SFHVURJKSA-N 367.836 3.613 0 1 FHAF in-vitro Fc1cc(-c2nc3c(c(N4CCOCC4)n2)SCC3)c(F)cc1Cl 95578966 VCDSGMTUYQSVNG-UHFFFAOYSA-N 369.824 3.560 0 1 FHAF CC1CCC(C(=O)N[C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C(C)C)CC1 251869025 QKQYGRICRFJSOM-WZHIVDDXSA-N 350.547 3.894 0 1 FHAF C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 255287105 ZICGJBPBLVXOBM-MNMROBMLSA-N 372.505 3.524 0 1 FHAF COC(=O)[C@H]1[C@H](c2ccc(-c3ccc(N)s3)cc2)C[C@H]2CC[C@H]1N2C 261163444 RHXJIBSDVXHTMJ-OLMMMNRUSA-N 356.491 3.737 0 1 FHAF O=C(/C=C/c1ccc(F)cc1)NCC12CC(CN1Cc1ccccc1)C2 2382222598 YFLNKVZXKKYZHM-DHZHZOJOSA-N 350.437 3.620 0 1 FHAF COC(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809105 QJXQOAHUUABUEB-DYZYQPBXSA-N 372.278 3.927 0 1 FHAF Clc1ccc(-c2nnc(CCc3nc4cc5cn[nH]c5cc4[nH]3)o2)cc1 587075101 CIAKIPFWJPRXFK-UHFFFAOYSA-N 364.796 3.928 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccccc1OC[C@H]1CCCO1)[C@@H](C2)C3=O 587455975 RPKVHAHOTWPWIL-AOSWFRPUSA-N 366.413 3.742 0 1 FHAF CCCCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2ccc([C@@H](C)CC)cc12 587641831 HRQXNEVCDHMMEH-IFXJQAMLSA-N 370.493 3.998 0 1 FHAF COC(=O)Nc1ccc(-c2nc3ncc(Br)c(C)c3[nH]2)cc1 587243270 ICKILGMOEPZKPE-UHFFFAOYSA-N 361.199 3.874 0 1 FHAF CC(=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604818 YXVCUJITLVVGJM-KNQAVFIVSA-N 360.365 3.838 0 1 FHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Br)cnc2[nH]1 586881458 GDMAGTOWACARTI-UHFFFAOYSA-N 372.222 3.649 0 1 FHAF OCCc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134141 JBTLMKZQAXBXOE-RQOWECAXSA-N 354.278 3.964 0 1 FHAF CCCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C(F)(F)F)n1 587423650 UQRNIFKEBHQQPJ-BZNIZROVSA-N 366.339 3.809 0 1 FHAF CCCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597824 SAEMDSPUWGLNLM-GHTZIAJQSA-N 370.401 3.846 0 1 FHAF COc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587160943 IULUCYYTLVFAJK-UHFFFAOYSA-N 357.776 3.671 0 1 FHAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1F 587568595 HRULKRPJGCMUEL-QFBILLFUSA-N 351.333 3.938 0 1 FHAF COc1cc2c(cc1OC)[C@]1(CCOc3ccc(C)cc31)N(C)[C@H](C)C2 962625556 JFUOPDFSZYJCMA-QRQCRPRQSA-N 353.462 3.915 0 1 FHAF COc1ccc2c(c1F)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772636416 MBXPSKRYQLCHOM-AWEZNQCLSA-N 356.441 3.590 0 1 FHAF CC(=O)Nc1nc(C)c(-c2cnc(Nc3cccc(C(C)=O)c3)[nH]2)s1 1772638441 OGYZISKJQOMMSL-UHFFFAOYSA-N 355.423 3.746 0 1 FHAF CCN1c2ncc(CCc3ccccc3N)cc2C(=O)N(C)c2cccnc21 5842308 GEJXMFWZAITGKE-UHFFFAOYSA-N 373.460 3.592 0 1 FHAF O=C1CCCCc2cc(CC(=O)N3CCCC[C@H]3CN3CCCC3)ccc21 13738793 WKOBBCOVPVULHK-FQEVSTJZSA-N 368.521 3.615 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(N)s3)cc2)C[C@@H]2CC[C@H]1N2C 169346290 RHXJIBSDVXHTMJ-WFXMFSGNSA-N 356.491 3.737 0 1 FHAF COc1ccc(C(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1OC 1857600293 XDKXEEXTLWFEGQ-OAHLLOKOSA-N 365.433 3.600 0 1 FHAF c1cc2c(cc1-c1cn3c(-c4ccc5c(c4)OCO5)cnc3cn1)OCO2 1857615448 ITQGEJKWGYHPAY-UHFFFAOYSA-N 359.341 3.521 0 1 FHAF Cc1c(C(=O)NN2C(=O)CSC23CCCC3)[nH]c2ccc(Cl)cc12 1911578838 RJKATHLMJZFZGS-UHFFFAOYSA-N 363.870 3.620 0 1 FHAF CNc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1 100896000 IDEQYAAWVDARGG-IYBDPMFKSA-N 367.428 3.664 0 1 FHAF CSc1ccc2c(c1)c(=O)c(C(=O)N(C)c1ccccc1)c(S)n2C 100834008 YCFURLWRYUFOCH-UHFFFAOYSA-N 370.499 3.826 0 1 FHAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(N2CCCC2=O)c1 113543377 KGWIQURWINETQK-INIZCTEOSA-N 366.461 3.554 0 1 FHAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 504702763 WTCAXDJXNVRHRC-SQNIBIBYSA-N 354.487 3.907 0 1 FHAF biogenic CCOc1ncnc(N2CCC(c3[nH]cnc3C)CC2)c1-c1ccccc1 36176405 XVJHCYVTUCYGCH-UHFFFAOYSA-N 363.465 3.958 0 1 FHAF COc1cccc(CN(C)C(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1 73196135 BMIATOZOZWDASC-UHFFFAOYSA-N 360.417 3.839 0 1 FHAF CC(=O)OC[C@]12C(=O)C[C@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC[C@@]21CO1 13456839 FHWOANGPYCUZLI-QJZMRSRYSA-N 374.477 3.946 0 1 FHAF biogenic C1=NN(c2ccccc2)[C@H]2[C@H]3N(C=NN3c3ccccc3)c3ccccc3N12 73223566 BGUJUBCGEUFAEJ-VXKWHMMOSA-N 366.428 3.892 0 1 FHAF COc1ccc(CNc2nc(Cl)nc(-c3ccco3)c2NC=O)cc1 49808044 VSLOHWFDGLNOQZ-UHFFFAOYSA-N 358.785 3.579 0 1 FHAF FC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1 140216097 ICQOXSAUAXHCJV-UHFFFAOYSA-N 363.440 3.567 0 1 FHAF CC[C@H](CN)[C@H](C)Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96174984 LIVUQZJIYLMRNO-LSDHHAIUSA-N 361.449 3.697 0 1 FHAF COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc3c(c2C)OCO3)ccc1O 263637613 OFCHTGCBFRTISG-UFNANVBGSA-N 370.401 3.513 0 1 FHAF CCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(OC)cc2)c1C 653856857 QBBZKYUUGKRTHL-UHFFFAOYSA-N 366.421 3.544 0 1 FHAF COC1=C(C)OC=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587829260 BORJAKZOLJEREN-JDNHERCYSA-N 354.219 3.740 0 1 FHAF CCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587391097 RXCBDGILTGXBJJ-ZUOKHONESA-N 362.470 3.995 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OC)c1O)CC2=O 587478903 KWNKWBFCTLKGNG-KRWDZBQOSA-N 358.390 3.774 0 1 FHAF CCn1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587763472 JMFKLCYUXKCMRN-QLJPJBMISA-N 352.251 3.602 0 1 FHAF CCOc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587515 NBEXTQQNQIORKH-PXNSSMCTSA-N 363.369 3.889 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)nn2)N1 587707439 VSTHALUULBFQDO-NXSYQRQQSA-N 356.626 3.655 0 1 FHAF COC(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1OC 587037145 SOYPSJMFVBOFQJ-OAHLLOKOSA-N 360.460 3.798 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C)(C)C(=O)C2(C)C 587819446 HZCGQHODTFCHHR-SECBINFHSA-N 354.263 3.953 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)cc4c1O[C@H](C)C4)[C@@H](C2)C3=O 587452116 DGLFVOSAPRXISU-JHBIKAPFSA-N 352.386 3.516 0 1 FHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)cnc4[nH]3)cc2N1 587126697 MCKUMAJICBCBBW-QUBYGPBYSA-N 356.739 3.782 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C)N)N1 587749423 PIDFSDRZLVVTMW-SEDUGSJDSA-N 363.274 3.713 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3cc(C(=O)O)ccc13)CC2=O 587479810 CTEDQIIMLOUVNG-KRWDZBQOSA-N 366.373 3.626 0 1 FHAF Cc1nsc(N)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587857551 KYEGTRGIRGLVDV-NZFNHWASSA-N 370.291 3.733 0 1 FHAF COC(=O)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355404 XPOFMCNHJPJLSA-DJPFJPOOSA-N 370.376 3.602 0 1 FHAF COc1ccc([C@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403843 RYJLVJCJUIZOAB-NRFANRHFSA-N 369.417 3.701 0 1 FHAF N[C@H](Cc1nc2c(Cl)ccnc2[nH]1)c1ccc(Br)cc1 586996675 JCSYUWYVEPMFIK-LLVKDONJSA-N 351.635 3.616 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCC)C1(C)C)CC2=O 587482120 ZCUCYYWTRXWZGN-HXUWFJFHSA-N 361.438 3.690 0 1 FHAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587577429 NOULCEMIAQZYSQ-NQIIRXRSSA-N 372.380 3.982 0 1 FHAF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@@H]1OCc1ccccc1 5963945 NFLMCGZVUQHVLD-ICSRJNTNSA-N 352.386 3.583 0 1 FHAF CN1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C5=NCCO5)CC[C@@H]4[C@@H]3CC[C@@H]12 169324041 MCQUWTXHJRSZGA-GQQFPJJJSA-N 358.526 3.895 0 1 FHAF O=C(N[C@H]1CCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 169350900 GCOWIJVNLKUCDS-PMACEKPBSA-N 369.415 3.887 0 1 FHAF CC1=NC(=O)N[C@@H](c2cccc(O)c2)[C@H]1C(=O)OC1CCCCCCC1 169690181 FQVVYTYPDLOXMH-ROUUACIJSA-N 358.438 3.890 0 1 FHAF C[C@H](Cc1n[nH]c(=O)c2c1CCCC2)c1ccc(F)c(Br)c1 167686571 NATDPRNEHBBMBO-SNVBAGLBSA-N 365.246 3.897 0 1 FHAF Cn1ncc2cc(-c3cnc4c(NCC5CC5)cc(Cl)nn34)ccc21 1857557149 JAJHEVWMLAWFHJ-UHFFFAOYSA-N 352.829 3.758 0 1 FHAF CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@@H](C)N[C@@H]2C 1857615307 LEAHJAIHLLRHKK-RKDXNWHRSA-N 358.492 3.973 0 1 FHAF CCCC[C@@H]1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21 1857769593 SNKAWMAERQERAY-ZDUSSCGKSA-N 372.469 3.906 0 1 FHAF CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1CC(=O)c1cc(O)ccc12 3937478 WJONSVSPXOEVBZ-HKDUHGGJSA-N 366.457 3.675 0 1 FHAF CC[C@H]1CN(Cc2ccncc2)CC[C@H]1CC(=O)NCc1cccs1 8254520 YQJPLAFIIYLSFE-ROUUACIJSA-N 357.523 3.698 0 1 FHAF biogenic CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(Cl)cc1 66078914 NBASEYFJBAVLDK-UHFFFAOYSA-N 367.883 3.554 0 1 FHAF CC[C@H](C(=O)OCc1ccc(C(C)(C)C)cc1)[C@H](CO)Cc1cncn1C 28101319 WJAWPZXDIQDIMG-PXNSSMCTSA-N 372.509 3.638 0 1 FHAF CC(C)=CC[C@H](O)[C@H](C)CCCC(C)=CCC[C@H](C)C[C@H](O)[C@@H](N)CO 2356682928 ASNURABVVXFZSH-WIYBCGNWSA-N 369.590 3.943 0 1 FHAF CC[C@@H]1c2cc(OC)c(OC)cc2N2C(=O)C[C@]34C=CCN(C)[C@@]23[C@@H]1CC4 2356711845 CEKNPBOCKIXUJV-SLBVSICGSA-N 368.477 3.542 0 1 FHAF C[C@H](NC(=O)C1CCCCC1)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356754677 QIGSFNYOENIMIG-NSHDSACASA-N 360.385 3.936 0 1 FHAF CCCCOC(=O)[C@@]1(Cc2ccccc2)OC(=O)C(O)=C1c1ccccc1 2356823085 GITKDDRGECJECP-QFIPXVFZSA-N 366.413 3.837 0 1 FHAF O=C(NC1CCCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O 72177985 KVBAQOBCISYKIK-UHFFFAOYSA-N 368.311 3.731 0 1 FHAF O=C(c1ccco1)N1CSC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 35310419 BDHPBNDYZSJFEG-GFCCVEGCSA-N 361.810 3.871 0 1 FHAF Cc1ccnc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)c1 96168963 WYXGIRAIOHFRKC-UHFFFAOYSA-N 353.466 3.727 0 1 FHAF C[C@@H](c1ccc(Br)cc1)N1CC[C@@]2(CC[C@@H](O)C2)OC1=O 146338753 PBKZQTKWICVGPX-SGIREYDYSA-N 354.244 3.636 0 1 FHAF COc1ccc([C@H]2C=Cc3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 96908502 KDIOCIVEYUHICX-OAHLLOKOSA-N 358.390 3.877 0 1 FHAF CCOC(=O)C[C@@]1(C[C@H]2CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536471 UGHDQACRPVRUGP-OPAMFIHVSA-N 372.461 3.792 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)nn2)N1 587704580 JPHSGGHTXPPQQW-WJWGPLDTSA-N 356.626 3.655 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(O)ccc21 587404492 RCRBSHDSVMAWQX-QHCPKHFHSA-N 371.392 3.736 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(Cn1nnc3ccccc31)CC2=O 587482447 ZVFWAGMBTWXEQV-FQEVSTJZSA-N 351.406 3.514 0 1 FHAF Fc1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)nc1Br 587156165 XKXWOTWHIXEWQI-UHFFFAOYSA-N 361.096 3.940 0 1 FHAF CCC[C@@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587810075 SWXVQXWUYXTNOC-HWPZZCPQSA-N 358.251 3.681 0 1 FHAF N=c1[nH]ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110149 OCFNVJMRWFSYPW-UHFFFAOYSA-N 360.261 3.999 0 1 FHAF COC(=O)C(=O)c1c(-c2cccc(OC(F)F)c2)[nH]c2cccc(F)c12 587633517 FUQBCWQDXZVUHZ-UHFFFAOYSA-N 363.291 3.931 0 1 FHAF CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587413151 QGDHQYSJMJTMBE-HRAATJIYSA-N 353.418 3.626 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C)(C)C(=O)C2(C)C 587817705 ABJYRWSCLCQRTC-VIFPVBQESA-N 354.263 3.953 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Br)cc3[nH]1)C2 587247587 UHLFAIXKUIDNNJ-GOSISDBHSA-N 372.266 3.677 0 1 FHAF COc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587768502 DEWHESKCNMLEMR-BMLIUANNSA-N 365.246 3.924 0 1 FHAF COc1cc(OC)c2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc2c1 587247436 LNNNOWGDYWZVAQ-UHFFFAOYSA-N 354.410 3.627 0 1 FHAF CCCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587760711 QCBALNARKPDEIN-MGPLVRAMSA-N 352.251 3.818 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccn1[C@@H](CC(C)C)C(=O)O)[C@@H](C2)C3=O 587432574 WOIVXXDJNHRXLY-UVFQYZLESA-N 369.417 3.657 0 1 FHAF N=c1ncc(-c2cccc(-c3nc4ccc(Br)cc4[nH]3)c2)c[nH]1 587255018 VFTTZCBSWXRJDF-UHFFFAOYSA-N 366.222 3.862 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1[C@H]1CCCCO1)CC2=O 587475176 JVZBYFFLTRGZHL-RTBURBONSA-N 356.422 3.947 0 1 FHAF Cc1ccc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587775099 ZBCSDHRAIBSFEC-RFAUZJTJSA-N 351.219 3.621 0 1 FHAF Cc1ccc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1C(F)(F)F 587095845 XHSCHBDXNIHDPL-UHFFFAOYSA-N 370.352 3.728 0 1 FHAF COc1cc2c3c(c1)O[C@](C[C@@H](C)C(=O)O)(c1ccccc1F)[C@@H](C2)C3=O 587427841 WGDXLTXMAYRGIE-VNBSIWGGSA-N 370.376 3.588 0 1 FHAF Cn1cc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc2n1 587579239 CXGAZLUYAFESGB-DENIHFKCSA-N 372.380 3.982 0 1 FHAF O=C(NCc1nc2ccc3c(c2[nH]1)CCCC3)c1cc2c(s1)CCC2 587035131 OVIOBDPBMWLYPF-UHFFFAOYSA-N 351.475 3.922 0 1 FHAF Cc1cccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 587019540 NDSNLTJYFWXEGM-UHFFFAOYSA-N 364.430 3.877 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(CC(F)F)c2)N1 587722419 YOCOMJDQPOWGDL-AYVTZFPOSA-N 374.204 3.673 0 1 FHAF O=C(O)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587081638 DNVBPFSGQAMCEG-UHFFFAOYSA-N 368.780 3.815 0 1 FHAF O=C1CCc2cc3nc(-c4ncoc4CCC(F)(F)F)[nH]c3cc2N1 587091373 FCMNSPPTHHHKAN-UHFFFAOYSA-N 350.300 3.598 0 1 FHAF C[C@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)N(C)C 587190320 HNPIJJSERCMKAE-SSDOTTSWSA-N 350.182 3.837 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(Cl)n1 587552009 MCVPZNOTTCEIMG-QAPCUYQASA-N 369.760 3.849 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(=O)O)[nH]c3ccc(F)cc13)O2 587385844 VOQOQCCXWFNPDB-OAHLLOKOSA-N 354.337 3.602 0 1 FHAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1c(C)[nH]c(C)c1C 963197122 YGIHKCCFIBWNDM-NRFANRHFSA-N 370.493 3.698 0 1 FHAF CON1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O 835739 MHINOFOCSWUZJK-GXDHUFHOSA-N 367.511 3.925 0 1 FHAF C[C@H](Cn1c(O)cc(=O)n([C@H]2C[C@@H]3CC[C@@H]2C3)c1=O)c1cccc(Cl)c1 169729787 LDOWZFMZLDFQIR-SMKXDYDZSA-N 374.868 3.534 0 1 FHAF CC1(C)C=Cc2c(c(OCCN3CCCCC3)cc3ccc(=O)oc23)O1 1857548168 BSKKYLCSQYTZBX-UHFFFAOYSA-N 355.434 3.842 0 1 FHAF O=S(=O)(c1ccc(C(F)(F)F)cc1)c1ccc(O)c2ncccc12 1857747088 QZQSLHOKWGDYGA-UHFFFAOYSA-N 353.321 3.792 0 1 FHAF COc1ccccc1-c1nc(C)c(COc2ccc(CC(=O)O)cc2)o1 1857754282 RFDFZQHRBRPMGD-UHFFFAOYSA-N 353.374 3.865 0 1 FHAF c1ccc(-c2nc(NCCCn3ccnc3)cc(-c3ccncc3)n2)cc1 1738595 MSAPNMANCMNLHQ-UHFFFAOYSA-N 356.433 3.904 0 1 FHAF C[C@@H]1[C@H](c2ccccc2O)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 105520944 JKQJZONEAFJYTO-OBVPDXSSSA-N 353.418 3.703 0 1 FHAF Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100632668 SAAYANRXFINIFL-RDTXWAMCSA-N 366.486 3.669 0 1 FHAF Cc1cccc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1C 63539282 KSOOVKODAWUURJ-UHFFFAOYSA-N 356.429 3.943 0 1 FHAF CC(=CCOc1c2occc2cc2ccc(=O)oc12)CC[C@H](O)C(C)(C)O 2356489040 HWQSPRJGHSGSPF-INIZCTEOSA-N 372.417 3.776 0 1 FHAF CCOc1ccc(C(=O)Nc2cc(Cl)c3c(c2)CNCC3)cc1C(C)=O 34009200 DKLOCIFWTZZVKC-UHFFFAOYSA-N 372.852 3.839 0 1 FHAF CCCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224824668 PWBUQECKPCCIBT-UHFFFAOYSA-N 371.437 3.716 0 1 FHAF CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2ccccn2)cc1 95555773 JXHCYNJBUVRFDD-SFHVURJKSA-N 372.490 3.788 0 1 FHAF COc1ccc2c(c1)CC[C@]1(CCCCN1C(=O)Cc1ccccc1)C2=O 140511997 SFVVNICKYDSJMK-HSZRJFAPSA-N 363.457 3.818 0 1 FHAF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@H]3C=C[C@@]12O 257375471 AFPPVJHFFGBKOB-AOSICCRVSA-N 372.461 3.695 0 1 FHAF endogenous,in-man C[C@@H](CSc1nnc(-c2ccncc2)s1)C(=O)Nc1ccccc1 473084945 UWNWUSBOCAQPIJ-LBPRGKRZSA-N 356.476 3.967 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@H]2CC3=O)N1 587818969 TXFJLJQJXJVNPT-PYBISEQSSA-N 352.247 3.707 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nncc(N)c1Cl 587861863 XBORTOOWYLHOPP-UHFFFAOYSA-N 369.734 3.592 0 1 FHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(C(=O)O)cccc2[nH]1 587150255 QYSYUMOLQZNWJN-UHFFFAOYSA-N 354.316 3.607 0 1 FHAF COc1cccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589350 UVHAYEBODKDKPL-UWJYYQICSA-N 363.369 3.673 0 1 FHAF CCOC(=O)[C@]1(c2ccc(C)c(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443142 UPLJUXTYUFAIGX-VGOFRKELSA-N 366.413 3.518 0 1 FHAF O=S(=O)(c1ccc2nc(-c3ncccc3Cl)[nH]c2c1)C(F)(F)F 587064882 IOUQAABYXVIPLY-UHFFFAOYSA-N 361.732 3.572 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCCC1OCCO1 587605780 AUQVSWCHTBNPEP-QFBILLFUSA-N 370.401 3.656 0 1 FHAF CCOCc1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)o1 586904056 YTTWEKSUXIPYJW-UHFFFAOYSA-N 374.340 3.653 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C(=O)OC(C)(C)C)(C1=COCC1)CC2=O 587493682 UYQAQEXVGYDAEP-NRFANRHFSA-N 374.433 3.695 0 1 FHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nnc(C2CC2)s1 587660806 GQVDIRLRZYFVBG-UHFFFAOYSA-N 364.405 3.921 0 1 FHAF COc1ccccc1-c1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587930064 CHAQZBAGNQHTGK-UHFFFAOYSA-N 368.400 3.881 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](C(=O)O)C2)N1 587820120 ACXUKVMIKLRPKL-RDGWCUKFSA-N 356.235 3.593 0 1 FHAF CCOC(=O)C[C@]1(C2CCCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442637 RMXGEFDVYIEAOM-IIBYNOLFSA-N 358.434 3.715 0 1 FHAF COc1ncc(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587766262 FXSPNMBMSVJFKM-MGPLVRAMSA-N 365.246 3.924 0 1 FHAF O=S(=O)(/C=C/c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1 586923906 ABDGMWOWDSUEHK-VOTSOKGWSA-N 354.218 3.709 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ccccc2)(c2ccsc2)N1 962896255 LRKCFZZVUYUUPA-PXNSSMCTSA-N 353.418 3.778 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cn2cc(Cl)ccc2n1 963602654 AJDYYDXMOJOJNY-WLRWDXFRSA-N 357.841 3.629 0 1 FHAF O[C@@H]1CCN([C@H]2CCCC[C@H]2OCCc2c(Cl)cccc2Cl)C1 1772579684 AHTASIQFBOOLDV-JEBQAFNWSA-N 358.309 3.930 0 1 FHAF CC(=O)c1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5891331 PWQGICBDSYZDLZ-UHFFFAOYSA-N 366.204 3.946 0 1 FHAF N[C@H](C[C@H](Cc1ccc(-c2cc3ccccc3s2)cc1)C(=O)O)C(=O)O 13491590 HYHOJLYBSMDOPE-JKSUJKDBSA-N 369.442 3.614 0 1 FHAF C[C@H]1CN(C(=O)c2cccc(F)c2)Cc2cc(COc3ccccc3)nn21 168078869 ODYPDGIAGVNBAM-HNNXBMFYSA-N 365.408 3.818 0 1 FHAF COc1cccc2[nH]c3c([C@@H]4[C@@H](C(C)(C)O)CC[C@]4(C)O)nccc3c12 2356476213 DJJGELHJLSQCQK-GTXQTCRKSA-N 354.450 3.740 0 1 FHAF Cc1ccc(/C=C(/C2=NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])s1 59085718 ZZTZHWGUIREJHD-ZSOIEALJSA-N 362.842 3.637 0 1 FHAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@@H]3NC(=O)NC(=N)[C@@H]32)cc1 64453874 CVWPPMKSHIKWNI-LMNJBCLMSA-N 373.412 3.605 0 1 FHAF COc1cc(C2=NCCO2)cc(OC)c1OCCCCCc1cc(C)no1 27520904 YBFNUIRAXLTBNZ-UHFFFAOYSA-N 374.437 3.569 0 1 FHAF CC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](O)C(C)(C)O2 27519537 UFWVSNZKEVMALD-QZTJIDSGSA-N 373.836 3.546 0 1 FHAF COC(=O)C1=CCC[C@@H]2[C@](O)(CC[C@@H](C)[C@@]2(C)CC(=O)c2ccoc2)C1 14853937 GBCUXCIKPZPERP-PSRGHPOCSA-N 360.450 3.919 0 1 FHAF biogenic COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)CC[C@H]23)ccc1O 85648686 WIBQQMLELFLPKY-DXEZIKHYSA-N 356.418 3.996 0 1 FHAF biogenic,in-vitro CC(C)=CCC/C(C)=C\COc1ccc(/C=C2\NC(=O)[C@H](C)NC2=O)cc1 238785855 WJYQOEOGXGQMEU-YUCZYFOWSA-N 368.477 3.734 0 1 FHAF NC(=O)[C@@H](N)Cc1c[nH]c2ccc(-c3ccc(Oc4ccccc4)cc3)cc12 146645383 IFGCPOCODJDZBS-NRFANRHFSA-N 371.440 3.982 0 1 FHAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CC3)[C@@H]2CN(C(C)=O)C(C)C)cc1 95872003 FHMMCGAYRKBFPW-RLKSPJDISA-N 370.537 3.515 0 1 FHAF COc1cc(OC)c2c(N3CCOCC3)cc(-c3ccccc3)nc2c1 98085125 MDRQHCZGZRIHED-UHFFFAOYSA-N 350.418 3.756 0 1 FHAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cnc4ccccc4n3)C2)cc1 96172946 DVBXRVTXEOEFII-OAHLLOKOSA-N 361.445 3.980 0 1 FHAF CCC1=CC[C@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@@]42CN(C)C1 238780373 ONAGOPFNNJDPCW-GXPWSOSZSA-N 371.521 3.928 0 1 FHAF C[C@H]1CC=C[C@H]2OC(C)(C)O[C@H]2CCC=Cc2cc(O)cc(O)c2C(=O)O1 299816098 RATBTQWBKSYHAA-DOPJRALCSA-N 374.433 3.917 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2ncc(Cl)c(Cl)c2[nH]1 586967315 UCDXKVGNXVIUMX-UHFFFAOYSA-N 355.206 3.503 0 1 FHAF CC(=O)C[C@]1(c2ccco2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587825590 BATXVRPLJSQROQ-DYZYQPBXSA-N 366.230 3.938 0 1 FHAF CC[C@]1(c2ccnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757719 HOBNBPMSVFMJDP-QFYYESIMSA-N 352.251 3.510 0 1 FHAF CCOC(=O)C(C)(C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989797 QSHRABLLFKELLQ-UHFFFAOYSA-N 361.397 3.993 0 1 FHAF Cc1cc(C)n(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587764853 RNHJGJQOWKFAFE-DYZYQPBXSA-N 366.278 3.851 0 1 FHAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Cl)cc1 587638858 RMYNIAPUFDLVPF-UHFFFAOYSA-N 357.749 3.537 0 1 FHAF CC[C@]1(c2cncn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345245 YYRQUVSYUNGJMH-TZIWHRDSSA-N 366.392 3.929 0 1 FHAF CN(C)CC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCC1 587570433 ITSAJXFRXXTRCO-GHTZIAJQSA-N 367.445 3.844 0 1 FHAF COc1cccc(-c2ccc(-c3nc4c(O)nc(O)nc4[nH]3)c(Cl)c2)c1 587051977 HQJCWRZUXBHIRO-UHFFFAOYSA-N 368.780 3.760 0 1 FHAF COC(=O)c1cccc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12 587396596 MMOXGNFSHNXXFF-QGZVFWFLSA-N 350.374 3.552 0 1 FHAF Cc1ccc([C@@]2(CN)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587751398 YJODJVQYOZDRHI-KZULUSFZSA-N 363.274 3.633 0 1 FHAF C[C@]1(c2ccc(O)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337649 MDSDAINRHBQELT-TZIWHRDSSA-N 365.360 3.906 0 1 FHAF CCCCNC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656608 NZGXUFQIQVJNCZ-UHFFFAOYSA-N 357.360 3.700 0 1 FHAF Cc1cc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Br 586977504 PZTCAXDRYUEFOQ-UHFFFAOYSA-N 371.160 3.985 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]c3cc(C(=O)O)ccc13)O2 587396486 LIHCHKITPPRWPJ-HXUWFJFHSA-N 350.374 3.637 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1CCCC1)O2 587393169 GKVQFHNMIGHYAH-OAQYLSRUSA-N 366.461 3.758 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccccc1)c1ccccn1 963607864 KPRSJTZSLGBTTE-MWTRTKDXSA-N 360.457 3.925 0 1 FHAF COC(=O)c1ccc2c([C@]3(C)NCCc4cc(C)c(F)cc43)c[nH]c2c1 962304025 ZAAIVXASPPNNMZ-OAQYLSRUSA-N 352.409 3.811 0 1 FHAF O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2ccncc2)cc1 1772597371 GQGIBUTYIRABOB-UHFFFAOYSA-N 360.413 3.726 0 1 FHAF O[C@@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCCCC1 13529028 FZGNNKKEFBVGIM-IRLDBZIGSA-N 369.505 3.578 0 1 FHAF CCCCc1c(C)nc2nc(NCc3c(F)cccc3Cl)nn2c1O 15668927 NYLHGTWOWJXIBB-UHFFFAOYSA-N 363.824 3.886 0 1 FHAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)N1CCC1 169720788 IROBRIAPKMUEAZ-CVEARBPZSA-N 363.248 3.734 0 1 FHAF CC1=NC[C@H](c2cn(S(=O)(=O)c3ccccc3C)c3ccc(C)cc23)N1 1857578598 VIYGPZIYLSPDBJ-GOSISDBHSA-N 367.474 3.558 0 1 FHAF CC(C)(CCCCCCCCCCC(C)(C)[C@@H](O)C(=O)O)[C@@H](O)C(=O)O 26171023 KZIQOIQRKKXONA-HOTGVXAUSA-N 374.518 3.831 0 1 FHAF CO[C@H]1CC[C@@H]2CN(CCc3ccccc3)[C@@H]1CN2Cc1ccccc1 101111216 WYUPWHUGPAKEOJ-ZLNRFVROSA-N 350.506 3.593 0 1 FHAF C/C(=C\c1ccccc1)CN(CCCN)C(=O)Cc1c[nH]c2ccccc12 28825846 SWWHYIQXIIFCGV-NBVRZTHBSA-N 361.489 3.991 0 1 FHAF COc1ccc(Cl)cc1N1CCN(C2C[C@@H]3CCC[C@H](C2)N3C)C1=O 27076826 ORXGEDDDAKFJGM-XYPWUTKMSA-N 363.889 3.606 0 1 FHAF Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(N[C@@H](C)c2cnn(C)c2)n1 20997914 GNQISJKGXVOILY-AWEZNQCLSA-N 373.464 3.853 0 1 FHAF C=C1c2c(c(O)c3ncccc3c2OC)C(=O)N1Cc1ccc(F)cc1 38147682 NRIFOPWNLUHYCG-UHFFFAOYSA-N 350.349 3.715 0 1 FHAF COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(Nc3ccncc3)cc1N2 43015321 UHXSMHRHMWNZNO-UHFFFAOYSA-N 374.400 3.850 0 1 FHAF in-vitro CC(C)(C(=O)NCc1ccc(Br)cc1)[C@@H](O)c1ccccc1 40893237 WPHMSBQFBIHAMN-INIZCTEOSA-N 362.267 3.825 0 1 FHAF CN1CCN(c2cccc3[nH]c(C(=O)c4cccc5ccccc45)nc23)CC1 45319973 RWYIFLFDQKYUEK-UHFFFAOYSA-N 370.456 3.699 0 1 FHAF COc1ccc([C@@H]2N(C(C)=O)N=C3c4cc(OC)ccc4CC[C@]32C)cc1 84669557 KMSGPTLHBMKRCL-FCHUYYIVSA-N 364.445 3.964 0 1 FHAF CCCC[C@@H](CC)C(=O)OC[C@@]1(CO)C/C(=C/c2ccccc2)C(=O)O1 40423509 VCZRUDXIQKKRLT-UMDQBSQQSA-N 360.450 3.508 0 1 FHAF CN(C)CC[C@@H](NC(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccccc1 95587335 QPDAFPVNIOVXCG-HXUWFJFHSA-N 363.465 3.891 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1COc1cccc(F)c1 587574436 ZYJDMGUWEAHDDB-RTBURBONSA-N 366.344 3.941 0 1 FHAF COc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)cc(OC)c1O 587784552 AALBSMZQRJDRQI-UHFFFAOYSA-N 367.174 3.854 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1F)(C1CCN(C)CC1)O2 587384436 DDIOKJMXRIMRPP-QFIPXVFZSA-N 368.452 3.919 0 1 FHAF COC(=O)c1cc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2cc1OC 587079270 BWWLPZWTCKJYTK-MRXNPFEDSA-N 358.781 3.688 0 1 FHAF O=C(O)/C=C/c1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1 586878502 FODMKKGQVZJDMG-AATRIKPKSA-N 362.158 3.624 0 1 FHAF C[C@H](Sc1ncccn1)c1nc2ccc(Br)c(O)c2[nH]1 586963016 WMQZNUXVSVTOPC-ZETCQYMHSA-N 351.229 3.674 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C3CC3)[nH]n2)N1 587799036 VVJSRPAZNNWBCD-ZKANADHPSA-N 350.235 3.812 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1SC)[C@@H](C2)C3=O 587453848 UVYZSYWYJFMRNJ-RBZFPXEDSA-N 372.442 3.923 0 1 FHAF Fc1ccc2c(c1)C[C@@H](c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)O2 587174710 RNTRZNCCAOYNRM-QMMMGPOBSA-N 358.682 3.792 0 1 FHAF Cc1ccc(C)c([C@@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1 962645050 UEWWTDKLJUXMLW-YOEHRIQHSA-N 365.351 3.890 0 1 FHAF Cc1cccc(-n2cccc2[C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962905328 ZWELQIUMPZOKTN-AZUAARDMSA-N 350.393 3.613 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)C1=C(C)N(C)c2nnnn2[C@@H]1C 963224330 DRSZADJOEUUZHG-IUSZMWJPSA-N 366.513 3.530 0 1 FHAF O=C1Nc2c(Cc3ccccc3O)ccnc2N(C2CC2)c2ncccc21 5933916 SNEUVPRZHPSNON-UHFFFAOYSA-N 358.401 3.639 0 1 FHAF CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C2 169305720 OUKMKZRIJHPMFI-FWVNDXEPSA-N 352.837 3.749 0 1 FHAF O[C@@H](CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 204418756 QTZPWWSNQZPGEE-SFHVURJKSA-N 373.378 3.986 0 1 FHAF CCNC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2C(C)C)cc1 1857655869 QCQSUQLMDKBYQV-UHFFFAOYSA-N 362.451 3.719 0 1 FHAF CCN(C)Cc1ccc([C@@H]2CC(=O)c3cc(OC)c(OC)cc3O2)cc1 1857657054 UHRHBYXYOQQIDG-SFHVURJKSA-N 355.434 3.862 0 1 FHAF COc1nc(C)c(C)cc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1 841141 KBAFPIYNDNCSBM-UHFFFAOYSA-N 368.481 3.678 0 1 FHAF in-vivo CCCCc1ccc(Nc2nc3c(ncn3COCCO)c(=S)[nH]2)cc1 1647878 KEJWNJZGGLXQHF-UHFFFAOYSA-N 373.482 3.541 0 1 FHAF COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 2489218 KMMZFIKOJNTWTH-SFHVURJKSA-N 360.498 3.541 0 1 FHAF CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cc1N 3815292 LVYWXEWYKYOVOX-UHFFFAOYSA-N 358.243 3.784 0 1 FHAF CC=Cc1cc(OC)c2c(c1)[C@@H](CO)[C@@H](c1cc(OC)c(O)c(OC)c1)O2 2356463801 NIYWVYHPXJLJBK-FOIQADDNSA-N 372.417 3.661 0 1 FHAF Fc1ccc(/C=C/c2nc3ccc(Br)cc3c3nnnn23)cc1 1911580603 XQEWUOWEKRNWDN-FPYGCLRLSA-N 370.185 3.745 0 1 FHAF CC[C@@]12CCCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4CC1)[C@H]32 31357210 ARQOGCYMPUOVHK-NMIHRBCNSA-N 354.494 3.726 0 1 FHAF CC(C)[C@@H]1C(=O)C2=C3C4=C5C(=CCC[C@]5(C)CC[C@]31C)C(=O)N4CCO2 15265349 XEMIVKIPBNRHQX-ZLUZWTFRSA-N 353.462 3.749 0 1 FHAF biogenic COc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCc2ncsc21 220850369 JTVHTJGAFQMQAD-VIFPVBQESA-N 357.262 3.805 0 1 FHAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N[C@@H]2CN(C(=O)C2CCCC2)C(C)C)cc1 95894837 BEUCDJCAQYJNDU-HPFFNQRGSA-N 370.537 3.563 0 1 FHAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@]3(OC)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 238775568 NPRCUKSJBBVTGN-UPGXGTBGSA-N 362.466 3.927 0 1 FHAF CCCN(CC)C(=O)c1cn(C)nc1OCc1ccccc1C(F)(F)F 98083041 BOTAALDVECIEAG-UHFFFAOYSA-N 369.387 3.890 0 1 FHAF O=C(NCc1ccc(F)cc1Cl)[C@H]1CCCC(=O)N1Cc1ccccc1 95566086 JQZZWWPHSOFVCU-GOSISDBHSA-N 374.843 3.677 0 1 FHAF COC(=O)C1=C(C)N(CC(C)C)C(=S)N[C@@H]1c1ccc(Cl)cc1 95603012 JFEBFJVFXYJXSH-OAHLLOKOSA-N 352.887 3.674 0 3 FHAF CC(C)(C)[C@H]1CC[C@H](C(=O)N2C[C@@H]3CN(c4ccccn4)C[C@@H]3C2)CC1 261138875 MRRDVINKWLHQMS-ZKQFHSMGSA-N 355.526 3.829 0 1 FHAF CC(C)=CC[C@H](O)[C@H](C)CCC/C(C)=C/CC[C@H](C)C[C@@H](O)[C@@H](N)CO 261499969 ASNURABVVXFZSH-RWYYNNRUSA-N 369.590 3.943 0 1 FHAF in-vitro CC(C)NC(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 299870158 OHQDRZHZEKGJSZ-ZSXCXTCJSA-N 369.505 3.958 0 1 FHAF in-vivo COc1cc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1C 586972627 JLSJMEOLPKOTEF-SFHVURJKSA-N 369.490 3.991 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)ccc1F)CC2=O 587465362 CKPBDBSQTQYGCO-GOSISDBHSA-N 358.365 3.977 0 1 FHAF O=C1c2ccc(O)cc2O[C@](CO)(c2ccccc2)[C@H]1c1ccc(F)cc1 587358646 WXDJUYHWSUHKMG-RBBKRZOGSA-N 364.372 3.778 0 1 FHAF COC(=O)c1ccnc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587519344 ZSIXJHUJUYERHR-OAQYLSRUSA-N 351.402 3.628 0 1 FHAF C/C=C\C[C@@H]1C[C@]2(C[C@H]1CC(=O)OC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441710 HAFZWMWCGOTGPX-PHIZCRFFSA-N 370.445 3.737 0 1 FHAF O=C1C[C@](C(=O)O)(c2cc(F)ccc2F)Oc2c1ccc1c2CCCC1 587506876 QLDCHCWTOKITEG-HXUWFJFHSA-N 358.340 3.789 0 1 FHAF FC(Br)(Br)c1nc2ccc3ncccc3c2[nH]1 587087400 PSRJBHGIFAXJMO-UHFFFAOYSA-N 358.996 3.981 0 1 FHAF CCOc1cc(OC)ccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444499 ZMIZDMLKANKZMM-IIBYNOLFSA-N 354.402 3.765 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cc[nH]n1 587860137 PNIQLRRSRXEAQN-UHFFFAOYSA-N 365.220 3.862 0 1 FHAF C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC[C@H]1C(=O)O 586989966 HBIOOYUFXZRCDW-WDEREUQCSA-N 359.381 3.902 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cnn2C)N1 587697926 PQDIFAAWRVBVCI-FUXBKTLASA-N 358.642 3.599 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 586916660 NERDYUUVWDNXII-JLTOFOAXSA-N 368.364 3.617 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3ccnc3)c(F)c1)O2 587382470 RQUBRZZSEGZAGI-HXUWFJFHSA-N 351.381 3.783 0 1 FHAF CC(C)n1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587761327 AKVTYEYJXGIRHR-QLJPJBMISA-N 352.251 3.989 0 1 FHAF COc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(Cl)n1 587083607 BTAQJDOOOIHDPX-UHFFFAOYSA-N 364.114 3.701 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCCc3n[nH]cc32)[C@@H]1c1ccc(F)cc1 587346111 LETGSEHOBKQAIZ-CTNGQTDRSA-N 364.376 3.845 0 1 FHAF C[C@H](O)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610485 GFFOQEAIRKUZCF-JTBRQZTESA-N 368.410 3.692 0 1 FHAF COc1ccc([C@H]2NCCc3ccc(F)c(C)c32)nc1Br 962142996 HMRQWLJBVWVNPR-OAHLLOKOSA-N 351.219 3.535 0 1 FHAF COc1cc([C@]2(C)c3ccsc3CCN2C(N)=O)ccc1OC(F)F 962699255 IDTSPBUZEBRTJY-QGZVFWFLSA-N 368.405 3.558 0 1 FHAF CCCCOc1cc([C@H]2c3ccsc3CCN2C(N)=O)ccc1OC 962703436 CWBCWFFCKJRCRV-SFHVURJKSA-N 360.479 3.962 0 1 FHAF CC(C)=C1NCCc2ccc([C@@H]3NCCc4c3c(C(C)C)nn4C)cc21 962915261 HBONRCHRYLNYBR-QFIPXVFZSA-N 350.510 3.675 0 1 FHAF CN1Cc2c(C3=C[C@H]4CNC[C@@H]4C3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772596245 NLPLTKCFYIPFQR-KBPBESRZSA-N 360.436 3.942 0 1 FHAF Clc1ncc(OC[C@@H]2CCCN2)cc1-c1ccc(Br)nc1 13560808 OPUUMGSQEKCHRQ-NSHDSACASA-N 368.662 3.690 0 1 FHAF COc1cc(O)c(CC=C(C)C)c2c1C[C@@H](O)[C@@H](c1ccc(O)cc1)O2 14762560 YRVPIFONAVRLMJ-UYAOXDASSA-N 356.418 3.652 0 1 FHAF biogenic COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OC)[C@H](C)[C@H]21 14930654 OBVLTWCOTSTMNM-FKIZINRSSA-N 355.434 3.635 0 1 FHAF biogenic,in-vitro CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1[N+](=O)[O-] 150315862 NLNXWLFGILEYMA-MRXNPFEDSA-N 367.361 3.690 0 1 FHAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)N[C@@H](Cc1ccccc1)C2 167970221 AWPOTFMSIHTEFD-LBPRGKRZSA-N 355.488 3.757 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1cc3ccn(C)c3cc1[C@@H](O)CC2 205428213 KGQQFMPMJCODHH-KRWDZBQOSA-N 353.418 3.851 0 1 FHAF NC(=S)c1cccc(-n2cc(N3CCCCC3)c3cc(CO)ccc32)c1 1857575384 TYQFYKUVDMJNRJ-UHFFFAOYSA-N 365.502 3.747 0 1 FHAF FC(F)(F)c1cccc(-c2nc(=NCC3CC3)cc(NCC3CC3)[nH]2)n1 1857771084 QEJQVKBULWEUGT-UHFFFAOYSA-N 363.387 3.623 0 1 FHAF CN(C)CCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1 1494761 XTEWWTLBXKFYCF-UHFFFAOYSA-N 368.872 3.909 0 1 FHAF NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc5c(c4)OCO5)cc3)nc2c1 3815907 DAVKPQHZZGHLCG-UHFFFAOYSA-N 373.368 3.850 0 1 FHAF COc1ccc(CN2C(=O)CS[C@H]2c2ccc3cccc(O)c3n2)cc1 6738785 IMXGWKYPKSHERY-FQEVSTJZSA-N 366.442 3.723 0 1 FHAF c1cc(CNc2nccs2)n(-c2nnc(N3CCCCCC3)s2)c1 9265794 UUFGJYIQCWXVMM-UHFFFAOYSA-N 360.512 3.778 0 1 FHAF CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C(F)(F)F)c3)n2n1 113134764 AMUFSGPBIFOSNV-ZDUSSCGKSA-N 350.344 3.598 0 1 FHAF CC[C@@H](NC(C)=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 28011595 VPDLPOGVAQMHTH-JOCHJYFZSA-N 351.494 3.596 0 1 FHAF Fc1ccc([C@@H]2C[C@@H]3CC[C@H](N3)[C@@H]2COc2ccc3c(c2)OCO3)cc1 100801352 HAHQKXHPHSTOFJ-KANFNMMFSA-N 355.409 3.858 0 1 FHAF c1cc(Nc2nccc(-c3ccncc3)n2)cc(OCCn2ccnc2)c1 26651343 GSOXYUXYLOCASR-UHFFFAOYSA-N 358.405 3.558 0 1 FHAF Clc1ccc(-c2ccc(-c3ccnc(N4CCNCC4)n3)s2)cc1 66258968 BSNUROMRGPNVJY-UHFFFAOYSA-N 356.882 3.935 0 1 FHAF COc1cc(-c2cc3ccc(OC(C)=O)cc3o2)c(OC)cc1OC(C)=O 2356713912 WHTRNUVZQQTAKQ-UHFFFAOYSA-N 370.357 3.968 0 1 FHAF COc1ccc(NS(=O)(=O)c2cc(F)c(Cl)c(F)c2F)cc1 29545207 JLRDZZSDWCODTE-UHFFFAOYSA-N 351.733 3.567 0 1 FHAF COc1ccc(CNC(=O)Nc2nc([C@H](N)c3ccccc3)cs2)cc1 61902918 CGHHXFCNYIBMOC-QGZVFWFLSA-N 368.462 3.522 0 3 FHAF COc1cccc(C(=O)Nc2ccc(NC(=O)c3cscn3)cc2)c1 218856724 DJSZAAIHNPTQRO-UHFFFAOYSA-N 353.403 3.656 0 1 FHAF COc1cccc(C(=O)N[C@@H]2CCN(Cc3ccc4ccccc4c3)C2)c1 36351748 LGDINAGQDNAAPB-OAQYLSRUSA-N 360.457 3.853 0 1 FHAF COCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccccc2)n1 82132798 YRILGUQPCLGFGD-YJBOKZPZSA-N 368.481 3.510 0 1 FHAF Cc1ccc([C@@H](C)Nc2cc(N3CCC[C@H](C(C)(C)O)C3)ncn2)cc1 82150353 YKGDNQUBYPKJBK-AEFFLSMTSA-N 354.498 3.945 0 1 FHAF CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCCCO2 95589135 DKJCFKYXIFNEOB-GOSISDBHSA-N 354.381 3.685 0 1 FHAF COC(=O)CC[C@@]12CC[C@H]3[C@@H](C)CN([C@@H]4C5=CCC[C@H]5CC[C@H]4[C@]1(C)O)[C@H]32 238764161 INHPFJZKEVOOKI-DAOMEMMKSA-N 373.537 3.536 0 1 FHAF COC(=O)c1ccc(Cl)cc1NC(=O)CCSc1ccccn1 96283159 ACAYZIFOJJIFLZ-UHFFFAOYSA-N 350.827 3.643 0 1 FHAF COc1cc2c(cc1O)[C@@H](OC)[C@@H](c1ccc(OC)c(OC)c1)OCCC2 238755903 USIOMUGEPCOIHU-NHCUHLMSSA-N 374.433 3.810 0 1 FHAF Cn1nccc1-c1cc(O[C@H](CN)c2ccccc2)cnc1-c1ccco1 230560847 SKCQXWGZSJOXQH-HXUWFJFHSA-N 360.417 3.821 0 1 FHAF C/C(=C\CC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)CO 2382223214 MRVPZKQGAYTXHJ-BLYMVVPKSA-N 369.398 3.517 0 1 FHAF CC(=O)NCCc1ccc(O[C@@H]2CCC[C@H](O)C2)cc1-c1cccc(F)c1 653739090 OPQQTXIBRDUNLP-VQTJNVASSA-N 371.452 3.854 0 1 FHAF COc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587775361 ZJNJLHOQHSHQJU-BMLIUANNSA-N 365.246 3.924 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2ccc(CC)cc21 587487877 OPBDQCCHQUGQCP-QFIPXVFZSA-N 365.429 3.744 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([S@@](C)=O)cc1)CC2=O 587493509 ROZTVOHDYLDDIR-CJFMBICVSA-N 358.459 3.963 0 1 FHAF CCOC(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441815 MXRUWCHUYKNVFY-IIBYNOLFSA-N 352.386 3.535 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c(C)c(C(=O)OC)c1C)CC2=O 587480730 FEAAYZPSXJYLQK-INIZCTEOSA-N 357.406 3.783 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 586917180 RERODFGZNHYXSE-QMIHWGKISA-N 364.405 3.503 0 1 FHAF CCOC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1 587514849 KJRYNMBUQFJPAW-LJQANCHMSA-N 351.402 3.844 0 1 FHAF CCCc1c(O)ccc2c1O[C@](COCCOC)(C(C)(C)C)CC2=O 587480523 KXMFVDLLIFOEFG-HXUWFJFHSA-N 350.455 3.758 0 1 FHAF Cc1cnc(Cl)c2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc12 587038626 AIGCLOUQJJYSND-VIFPVBQESA-N 354.863 3.902 0 1 FHAF CCOc1cc(C(C)=O)c(OCC)n1-c1cccc(Br)c1N 587937392 QRXJVAWSSRFQPX-UHFFFAOYSA-N 367.243 3.822 0 1 FHAF O=Cc1sccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615871 ZLXIYAYXGUUWFT-VQIMIIECSA-N 352.367 3.969 0 1 FHAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587599827 HWDNXCYTGQSRLI-RXVVDRJESA-N 364.353 3.809 0 1 FHAF O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587607944 JELRGJBRBOYZSO-FXAWDEMLSA-N 362.337 3.793 0 1 FHAF Fc1c(Br)cc2nc(Cc3csc4nccn34)[nH]c2c1F 587039470 FBYOSPVOZGBLBL-UHFFFAOYSA-N 369.194 3.904 0 1 FHAF Nc1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577305 JZXXQUDGUXLZOQ-KNQAVFIVSA-N 359.381 3.778 0 1 FHAF Oc1nccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586977161 VHMKCGSDDDYNRI-UHFFFAOYSA-N 354.591 3.658 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1CCN1CCCCC1 587656682 KMCJWCFBAIKSNZ-UHFFFAOYSA-N 369.415 3.828 0 1 FHAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 586948251 MJXKOWMYCPHIGP-UHFFFAOYSA-N 351.378 3.658 0 1 FHAF CC[C@]1(c2ccc(OC(C)=O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441013 DNDQAXORHCMLRK-DYESRHJHSA-N 352.386 3.673 0 1 FHAF O=C(O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587220379 RFOIJYSVDXPCQI-LJQANCHMSA-N 371.396 3.781 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cnccc2[nH]1 587592445 YRYKTZCSJDWJQO-WIYYLYMNSA-N 358.353 3.971 0 1 FHAF COC(=O)c1ccc2[nH]c(-c3nc4ccc(OC)cc4s3)nc2c1OC 587035837 UKYISOWMIKQWNM-UHFFFAOYSA-N 369.402 3.643 0 1 FHAF C[C@]1(c2ccc(S)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732029 VZYFJHQOIILLOG-DOTOQJQBSA-N 351.393 3.885 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1c(F)cc(F)cc1OC)N(C)[C@H](C)C2 962639197 VILWAKGWDHWPQS-BIBXISHDSA-N 363.404 3.956 0 1 FHAF Cc1cc([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c(C)o1 962650406 ZIMLLBRDGGQLEN-YADHBBJMSA-N 364.445 3.807 0 1 FHAF C[C@H](Cn1ccnc1NC#N)c1ccc(OC(F)F)c(OCC2CC2)c1 13438962 PLELSWHATSZTIO-GFCCVEGCSA-N 362.380 3.970 0 1 FHAF O=c1[nH]nc(-c2cc(Cl)ccc2O)n1-c1ccc(C(F)(F)F)cc1 13558791 QIDPZRGUHWOOQN-UHFFFAOYSA-N 355.703 3.605 0 1 FHAF COP(=O)(OC)C(CCOc1ccccc1)P(=O)(OC)OC 29221349 CRGQUXMDFWUZDE-UHFFFAOYSA-N 352.260 3.753 0 1 FHAF CC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCc2ccccc21 6780387 DIYGCCKYHZCWBS-UHFFFAOYSA-N 358.850 3.876 0 1 FHAF C/C=C/OC(=O)N[C@H](c1cccc(C)c1)[C@@]1(C(=O)OCC)CCCC1=O 7992443 NLWAGDMOIJCVIK-KSSYYNAXSA-N 359.422 3.598 0 1 FHAF COc1ccc2c3ncn(CCCN4CCCC[C@@H]4C)c(O)c-3nc2c1 103533853 XTFAYNQFRRJWDD-AWEZNQCLSA-N 354.454 3.515 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@H]2CC[C@H]1N2 100875744 HBQKMASEGGGNBY-UAFMIMERSA-N 352.478 3.788 0 1 FHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C[C@@]4(C)[C@@H]3CC[C@]12C 29405082 BVTWUBQLAWUICA-OEQVYJHJSA-N 374.569 3.944 0 1 FHAF COc1cccc(NC(=O)Nc2cccn(Cc3cccc(F)c3)c2=O)c1 64527207 VMFUHDOHRAQNQY-UHFFFAOYSA-N 367.380 3.688 0 1 FHAF CCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26393057 BQWMLHMOZSVPKK-ZNKMAEIMSA-N 360.542 3.602 0 1 FHAF COc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1Cl 29390665 TZHBNQKDSIZLED-UHFFFAOYSA-N 359.857 3.719 0 1 FHAF C[C@]12c3[nH]c4ccccc4c3C[C@@H]1CC[C@]1(O)C3=CC(=O)O[C@H]3CC[C@]21C 2356841211 NFTGNVPOAXTQOU-ORHOVUHMSA-N 363.457 3.775 0 1 FHAF O=c1[nH]c2ncc(-c3ccc(-c4ncc[nH]4)cc3)nc2n1CC1CCCCC1 73198466 WOMACFLNSYTUOO-UHFFFAOYSA-N 374.448 3.757 0 1 FHAF CCCC[C@@H](/C=C1/C[C@@](CO)(COC(=O)c2ccccc2)OC1=O)CC 40896055 FHHQZFCFVOYPNH-CXUNTOSNSA-N 360.450 3.664 0 1 FHAF O=C1CCC[C@@H]2CC[C@](Cc3ccccc3)(C(=O)OCc3ccccc3)N12 84671241 DHYDOGGNCHCNJT-OFNKIYASSA-N 363.457 3.886 0 1 FHAF C[C@@H](c1ccc(Br)cc1)N1CC[C@]2(CC[C@@H](O)C2)OC1=O 146195979 PBKZQTKWICVGPX-PEYYIBSZSA-N 354.244 3.636 0 1 FHAF O[C@H](COc1cccc2[nH]c3ccccc3c12)CN1CCOc2ccccc21 96939723 NTPSBNSBIYHJQI-INIZCTEOSA-N 374.440 3.960 0 1 FHAF CCCCOc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1 96938661 SFIDYRMKQHYGNT-UHFFFAOYSA-N 372.490 3.868 0 1 FHAF C/C=C/c1ccc([C@H]2[C@H](CO)N[C@H]2CN(C(=O)C2CCCC2)C(C)C)cc1 95894836 BEUCDJCAQYJNDU-BTVLFMTNSA-N 370.537 3.563 0 1 FHAF CCC[C@@H](C)Nc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](O)CC2)n1 261101556 GJZCXJLZZFATOM-BZUAXINKSA-N 355.486 3.855 0 1 FHAF CCOc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)cn1 653797963 WOOQQSRIDZZREN-UHFFFAOYSA-N 351.406 3.837 0 1 FHAF Cn1c(N2C[C@H]3CC[C@H]2[C@@H](c2ccccc2)C3)nc(-c2ccncc2)cc1=O 653685370 WICVCRKZHDSYPN-SCWSEQNSSA-N 372.472 3.615 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)CN1CCCCC1 587872469 NNTKQMZBBQZDKB-OAHLLOKOSA-N 359.445 3.850 0 1 FHAF N=c1cc[nH]cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587250260 ZFZUEWPNOFPLSN-UHFFFAOYSA-N 373.132 3.699 0 1 FHAF O=C(O)c1ccccc1/C=C/c1nc2ccc(Br)c(O)c2[nH]1 586882499 WDRRQOPTVIMLHI-VMPITWQZSA-N 359.179 3.900 0 1 FHAF COC(=O)c1ccnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12 587134811 OZOCEOHWTONNKL-IHWYPQMZSA-N 369.249 3.610 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)cnc1NC(=O)C(C)(C)C)O2 587391499 UOOVAAZAPUXEII-KRWDZBQOSA-N 367.449 3.972 0 1 FHAF C[C@]1([C@@H]2CCCCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343462 CEAWDDSOOMZTSU-QKNQBKEWSA-N 355.409 3.791 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 587396945 XUZULGPNQDMHMX-LHSJRXKWSA-N 374.481 3.948 0 1 FHAF Cc1nn(C)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581427 LFAXACPANDGMHY-WIYYLYMNSA-N 364.401 3.620 0 1 FHAF C[C@]1(C2(O)CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357158 SOULFYCQFSOEIA-ICSRJNTNSA-N 356.393 3.954 0 1 FHAF COC(=O)[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@H]1C)-c1ccccc1C4=O 586990878 HHIYYNFKLWCACF-HWPZZCPQSA-N 359.381 3.601 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nccn1C(F)F 587553660 GFMVBHMHNFEAAN-XJKSGUPXSA-N 358.300 3.687 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3cncn3)c(C)c1)CC2=O 587479616 UNMILFBBKLUVRK-FQEVSTJZSA-N 363.417 3.940 0 1 FHAF N=c1[nH]c(-c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cs1 587022168 VNRVGINTLBMHNC-UHFFFAOYSA-N 362.340 3.526 0 1 FHAF CC[C@@H](C)Sc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587450254 SGBVNDSMFSCNAQ-RUHJCQMXSA-N 356.447 3.865 0 1 FHAF CCN(/C=C(\F)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)CC 587547672 MAFCISJSAZZOKY-IZEAKEFNSA-N 357.381 3.875 0 1 FHAF Cc1cc(F)c2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 587196937 DAWCPMICERKEKC-CYBMUJFWSA-N 363.433 3.927 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)c(O)c2)N1 587747263 KZTXJOHKRUJCPK-HUTHGQBESA-N 365.246 3.674 0 1 FHAF CCOC(=O)Cn1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513326 ROXYGVSXBUUIGH-IBGZPJMESA-N 353.418 3.637 0 1 FHAF CSc1nnc(CCCO)n1-c1c(Cl)cc(Cl)cc1Cl 1857539748 BIOJADAIUCQBKC-UHFFFAOYSA-N 352.674 3.874 0 1 FHAF Cn1c(=O)n(C2CC2)c2c3cc(-c4c[nH]c5nccc-5c4)ccc3ncc21 1772570285 NGJICJQCRNGWDQ-UHFFFAOYSA-N 355.401 3.718 0 1 FHAF CN1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]3CC[C@@H]12 169323093 YJVVSONFMRLWTH-BFLDKREJSA-N 359.510 3.926 0 1 FHAF COc1ccccc1NC(=O)C[C@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 205226387 YWGQGCCYUYYHBD-LJQANCHMSA-N 373.840 3.717 0 3 FHAF COc1ccc([C@@](O)(c2ccccc2)c2nc3ccc(C)cc3n2C)cn1 1857575493 UEZQKTRJFABWTQ-QFIPXVFZSA-N 359.429 3.570 0 1 FHAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H]1CCCC[C@@H]1O 775603 XERXPEFZFRHTCL-CABCVRRESA-N 372.465 3.681 0 1 FHAF N[C@]1(CO)CC[C@H](c2ccc3c(c2)CC[C@@H](COCc2ccccc2)C3)C1 1911574334 UOTYQINTGZVAFX-VEXUSMLFSA-N 365.517 3.966 0 1 FHAF CC1=C(C(=O)OC(C)C)[C@@H](c2ccns2)N2C(=N1)Nc1ccccc12 1911576126 ORPHSPQPSURTFX-MRXNPFEDSA-N 354.435 3.712 0 1 FHAF C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4C[C@@H](O)[C@@]32CN1C 2356396610 QESDNCVYXJTJRY-OYOGUIGMSA-N 372.597 3.780 0 1 FHAF C[C@H](CCN)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 58543168 PEAFVGSJDSBIIY-AFQOZCRHSA-N 363.586 3.962 0 1 FHAF COc1ccc2nc3c(O)n(CCCN(C)C4CCCCC4)cnc-3c2c1 103533925 UVLZGKKCOUMABN-UHFFFAOYSA-N 368.481 3.905 0 1 FHAF CCN(CC)Cc1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 28339028 MEVSAYXXKMDGIW-NRFANRHFSA-N 369.461 3.732 0 1 FHAF CO[C@@H](Cc1scnc1C(=O)Nc1nccs1)c1ccc(F)cc1 28455335 SRZYUTXTYHREQS-LBPRGKRZSA-N 363.439 3.921 0 1 FHAF COC1=CNC(=C2NC=Cc3c2[nH]c2cc(Br)c(OC)cc32)C1 2356484212 MLAVXZCXQNESKL-UHFFFAOYSA-N 374.238 3.663 0 1 FHAF C[C@]12C[C@@H]3OC(=O)[C@]4(C)CCC[C@](C)([C@@H]1CC[C@](C)(C=CC(=O)O)O2)[C@@H]34 2356493144 KBJSYEBTIXTTDP-XOSHKNPDSA-N 362.466 3.713 0 1 FHAF COc1cccc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4o3)C2)c1 2356538621 LMYLYIPDWSHCIX-QFBILLFUSA-N 356.397 3.576 0 1 FHAF COc1cc2c(cc1O)[C@@H](OC)[C@H](c1ccc(OC)c(OC)c1)OCCC2 2356637496 USIOMUGEPCOIHU-LEWJYISDSA-N 374.433 3.810 0 1 FHAF Fc1cc(-c2c(F)cccc2F)cc(-n2nnc(-c3ccccn3)n2)c1 28383101 RJKFUGNIAJCTRI-UHFFFAOYSA-N 353.307 3.809 0 1 FHAF COc1cc(O)c(CC=C(C)C)c2c1C[C@@H](O)[C@H](c1ccc(O)cc1)O2 14762558 YRVPIFONAVRLMJ-QUCCMNQESA-N 356.418 3.652 0 1 FHAF biogenic COc1cc(O)c2c(c1CCC(C)(C)O)O[C@H](c1ccccc1)CC2=O 14721583 OHGGGSHTYPJICB-KRWDZBQOSA-N 356.418 3.811 0 1 FHAF biogenic O=C1[C@@H]2[C@@H]3[C@@H]4[C@@H]5[C@@H](OCc6ccccc6)[C@H]([C@@H]2[C@H]5[C@H]3OCc2ccccc2)[C@H]14 195411924 QFZSTWQCQZIKSY-PLOFQCMPSA-N 372.464 3.724 0 1 FHAF CCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 82136216 PHGMPRCEGQBETC-UHFFFAOYSA-N 358.461 3.905 0 1 FHAF C=Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OC(C)(C)C)ncn1-2 98081890 YIIKQLCKNDAHHQ-INIZCTEOSA-N 365.433 3.761 0 1 FHAF CC(C)N(C(=O)C(Br)(C(F)(F)F)C(F)(F)F)C(C)C 68575766 YRGOUEYNLZDJII-UHFFFAOYSA-N 358.120 3.890 0 1 FHAF biogenic CC1=C([C@H](C)c2cccc(Oc3ccccc3)c2)O[C@H]2[C@H](O)CCN2C1=O 299847421 JEMRWTBDJCHWAI-WTGRHJARSA-N 365.429 3.806 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(C[C@H]4CCCO4)c1C)[C@@H](C2)C3=O 587432625 XPZTXCIOUCRYRH-FXCLAUTBSA-N 367.445 3.781 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cccc(N)c21 587389261 JPWNNCOJTCJBRC-HSZRJFAPSA-N 370.408 3.613 0 1 FHAF Cc1c(Br)cnc2[nH]c(/C=C/c3ccccc3C(=O)O)nc12 586882434 SXPJORJKAPXWKP-VOTSOKGWSA-N 358.195 3.897 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1CCN(Cc3ccccc3)C1)O2 587395475 MQEHDCQMEBJXHU-VGOFRKELSA-N 350.462 3.823 0 1 FHAF CSc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587843586 IZYAUBPPDRTLNU-CLAHSXSESA-N 368.275 3.724 0 1 FHAF Cc1cnn(CCF)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558864 XTVPWQZRXFKKCO-OXQOHEQNSA-N 368.364 3.570 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N(C)C)n2)N1 587751940 CBEMGGKDHLERCK-BTDLBPIBSA-N 364.262 3.673 0 1 FHAF COCCCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587400592 RBXGJGAOCNONAZ-LJQANCHMSA-N 371.433 3.708 0 1 FHAF COc1cc2c(cc1OC)[C@]1(CCc3cccc(OC)c31)N(C)[C@@H](C)C2 962622171 JKIHASYWFDOXTR-FPTDNZKUSA-N 353.462 3.779 0 1 FHAF COCCOc1ccc2c(c1)CC[C@@]21NCCc2c(OC)ccc(Cl)c21 963259018 QMCKBNSMNLYYOA-OAQYLSRUSA-N 373.880 3.709 0 1 FHAF COc1c(C(C)=O)c(O)c(OCc2cccc(C(=O)O)c2)c2occc12 13682350 JQGKELPNYBZRHD-UHFFFAOYSA-N 356.330 3.627 0 1 FHAF O=C(O)CCC/C=C/C[C@H]1[C@@H](CNCCNc2ccccc2)[C@H]2CC[C@H]1O2 169370768 HMZUDQZKIYDION-DIQTWICQSA-N 372.509 3.683 0 1 FHAF Cc1cc(-c2cccs2)nc2sc(C(=O)N=c3cc[nH]cc3)c(N)c12 1857760194 VNDJCNURPYVJBR-UHFFFAOYSA-N 366.471 3.985 0 1 FHAF CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1ccccn1 2457364 STVJEGYUPGYYID-NRFANRHFSA-N 369.465 3.545 0 3 FHAF O=C(O)Cc1cccc(NC(=O)c2cccc(COc3ccccc3)n2)c1 28461384 WHGVBDLIVQVAHF-UHFFFAOYSA-N 362.385 3.540 0 1 FHAF Nc1c2c(nc3ccc(F)cc13)N1C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]1CC2 1911585862 VWHUCHUSHBTLLB-GYBPZWCXSA-N 366.484 3.582 0 1 FHAF Cc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1 103271977 VOSRGYYQXSUOEL-LPHOPBHVSA-N 364.493 3.705 0 1 FHAF CC[C@@H]1CC[C@@H](N2C(=O)CC(=O)N(CCc3ccc(Cl)cc3)C2=O)C1 101678288 YHWWPYUITXNAKW-CZUORRHYSA-N 362.857 3.642 0 1 FHAF COc1ccc2cc(C)n(C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1 28385047 VQEIORYCRGIHFU-UHFFFAOYSA-N 355.390 3.673 0 1 FHAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)O[C@@H](CO)CO3)cc1 28863831 PAZFBTRQYDVLAE-QKIXSCASSA-N 367.445 3.768 0 1 FHAF CC(C)[C@@H]1CC[C@H]2[C@H]3CC[C@@]45[C@@H](CC[C@H]4O)[C@@]2(CCCC(=O)O)[C@H]1N5C3 2356572758 NBPLSEUAFUURJP-NGRZKRRISA-N 361.526 3.527 0 1 FHAF CON(C)C(=O)c1cn2c(C)c(C)nc2c2c1CC[C@H](c1ccccc1)O2 28867286 VXHJWTUWKPYDLP-GOSISDBHSA-N 365.433 3.651 0 1 FHAF O=C(N[C@@H]1CN2CCC1CC2)c1cc(Cl)cc2c3c(oc12)CCCC3 28011797 IRZRAMWZPYYODF-QGZVFWFLSA-N 358.869 3.789 0 1 FHAF COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3cccnc3)cs2)cc1 61895895 VDWQBUOQKVFTIA-LJQANCHMSA-N 353.447 3.613 0 3 FHAF Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)NCC2CC2)c1 82146031 OELULFYPYNMQDN-UHFFFAOYSA-N 350.466 3.582 0 1 FHAF O=C(c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1)N1CCCCC1 82140723 NYLFVBOPIALDFY-UHFFFAOYSA-N 368.456 3.899 0 1 FHAF COc1ccc2c3c([nH]c2c1)C1=NCC[C@]12c1ccccc1N=CN2CC3 238732459 UFFPXXRIKROPQW-QFIPXVFZSA-N 356.429 3.796 0 1 FHAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(CCn3cnnn3)cc2)cc1 147381027 WCWTZUQOGQQNGK-GOSISDBHSA-N 361.493 3.610 0 1 FHAF CS(=O)(=O)c1ccc(/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)O)cc1 95590656 GDISTPKCSVDBOT-XNTDXEJSSA-N 370.348 3.734 0 1 FHAF C/C(N)=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587706788 RGSIKMSTNKIMLU-JKJLEVRWSA-N 367.184 3.743 0 1 FHAF Clc1ncnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 587017067 GGDWESZBTIRIDN-UHFFFAOYSA-N 355.810 3.732 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOC)cc1O)CC2=O 587478368 FWGVYXNWELLSGT-FQEVSTJZSA-N 372.417 3.782 0 1 FHAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccnc21 587581816 NBQVDGVYJVPINH-RXVVDRJESA-N 372.380 3.982 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCN1C(=O)OC(C)(C)C)CC2=O 587474921 IITTVXFOYKRSBP-RHSMWYFYSA-N 361.438 3.688 0 1 FHAF CC(C)n1ccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575954 HGVOUPWMYXTBDD-LPHOPBHVSA-N 350.374 3.873 0 1 FHAF O=C(O)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611795 UDKWCGWZZCYBNE-XLIONFOSSA-N 362.337 3.793 0 1 FHAF O=C1C[C@@H](c2ccc(N3CCNCC3)cc2)Oc2c1ccc1c2CCCC1 587511895 AFRJGBHJFCIVMU-QFIPXVFZSA-N 362.473 3.682 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(Br)nc3[nH]2)cc1 587934389 DIQZYBRKRRAKAH-YMTOWFKASA-N 362.227 3.566 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCSc4ccc(OC)cc41)[C@@H](C2)C3=O 587450704 HKXIGVJCQPTRFA-YWZLYKJASA-N 354.427 3.843 0 1 FHAF COC(=O)[C@H]1c2ccccc2C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527110 VDVMVUNNIIGUBZ-OFNKIYASSA-N 362.425 3.782 0 1 FHAF O=C(O)/C=C/C=C/c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 587969449 SVBVROLTGHIJEA-ZPUQHVIOSA-N 361.117 3.998 0 1 FHAF C[C@@]1(C23CC(C(=O)O)(C2)C3)NC2(CC2)Cc2ccc(Br)cc21 961744930 BBQUFDZMQKKEID-KLAILNCOSA-N 362.267 3.598 0 1 FHAF CC(C)c1nn(C)c2c1[C@@](C)(c1cc(-c3cccc(F)c3)no1)NCC2 962905371 DMJJEEJPQLAEPO-HXUWFJFHSA-N 354.429 3.747 0 1 FHAF CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(CC)c1=O 13536202 ZOZBGBYQGYTHLP-UHFFFAOYSA-N 373.497 3.882 0 1 FHAF CC(=O)NN1C(=S)Nc2sc3c(c2[C@@H]1c1ccccc1)CCCC3 33900423 NHZJHIQPMHYCSY-INIZCTEOSA-N 357.504 3.780 0 1 FHAF CC(C)(CO)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 775225 PNRZSTQXOWKFCN-UHFFFAOYSA-N 368.408 3.896 0 1 FHAF C[C@H](CN1C(=O)CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1=O)c1cccc(Cl)c1 101677967 GTOBYXNRRUPZQS-SMKXDYDZSA-N 374.868 3.813 0 1 FHAF COc1ccc(C[C@H]2NCCc3c2[nH]c2c(F)cc(F)cc32)cc1OC 26674455 HGPUOFMXABMTJJ-MRXNPFEDSA-N 358.388 3.893 0 1 FHAF COc1cc(OC)c(C(=O)c2cccc(C)c2)c(O)c1Br 103224018 JXBCUGSBCBLJRR-UHFFFAOYSA-N 351.196 3.711 0 1 FHAF CCN1CC(CC)(CC)OC(=O)[C@@H]1CC(=O)Nc1ccc(C(C)C)cc1 117781724 YMFPQRCBNPEESG-SFHVURJKSA-N 360.498 3.945 0 1 FHAF Cc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc2c1OCO2 2356405226 LODNQAFUIQQIPG-YJPXFSGGSA-N 368.385 3.528 0 1 FHAF CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)C)cc2)c1 28822793 QDQVYFDICGXMIX-UHFFFAOYSA-N 363.417 3.593 0 1 FHAF O=C(Cn1cc(-c2ccc(F)cc2)nn1)c1ccc(Br)cc1 66251509 VRWPUHMTFBJWER-UHFFFAOYSA-N 360.186 3.730 0 1 FHAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC(=O)[C@@H]1[C@@H](C)C(=CC(=O)O)CC[C@H]12 2356737637 LXJSFBJEYLPDJS-WCCHPKNESA-N 362.466 3.618 0 1 FHAF CCCC[C@H](O)CC=CCCCCCCCCC(=O)OC[C@@H](O)CO 2356804581 ZGDOOBRKAZVQOQ-OALUTQOASA-N 358.519 3.501 0 1 FHAF O=C([C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccccc1)N1CCCCC1 72176074 OYFARCDWBWBBGC-SFTDATJTSA-N 362.473 3.697 0 1 FHAF O=C1NC2(CC2)Cc2[nH]c3c(c21)CCc1cnc(-c2cccc(F)c2)cc1-3 72112486 YCDCMENBXGGZOJ-UHFFFAOYSA-N 359.404 3.800 0 1 FHAF CCNC(=O)NC1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72102983 PTDDBUURIQKJBG-LJQANCHMSA-N 372.900 3.608 0 1 FHAF COc1ccc([C@]2(C)OC(c3nc(C(C)C)cs3)=NN2C(C)=O)cc1 49111710 QYOFXQTUQNUWSV-SFHVURJKSA-N 359.451 3.688 0 1 FHAF O=C(C[P@@](=O)(O)Oc1ccccc1)c1c(F)c(F)c(F)c(F)c1F 40975863 NPJHHFQUDATZOA-UHFFFAOYSA-N 366.178 3.829 0 1 FHAF CC(=O)C[C@H](O)CC(=O)[C@@H]1OC(=O)CCCCC/C=C\Cc2ccccc21 195392582 WLMKUHSUSVRAIJ-CUEYOVFCSA-N 372.461 3.633 0 1 FHAF CC(=O)[C@H](O)/C(=C/CO)[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 238765523 ZRCMCFDZTMUNHB-OHVWEWKSSA-N 364.526 3.645 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCCC(C)(C)[C@H]1CC3=O 238764831 CIMUEAXIMVIMJE-JFGZCMJWSA-N 362.510 3.892 0 1 FHAF O=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1)c1cccc(F)c1 95591074 YLQJLHCKRNGVIP-ROUUACIJSA-N 374.843 3.950 0 1 FHAF CN1CCN(c2ccc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3c2)CC1 586887352 HZSSTYJJKORWFH-XXBNENTESA-N 358.489 3.686 0 1 FHAF Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)ccc1F 587277003 YVCBCCCHAZQYQK-UHFFFAOYSA-N 364.170 3.761 0 1 FHAF Cc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1C 587148633 JCLKLGJJIGUYRT-CQSZACIVSA-N 355.388 3.974 0 1 FHAF CC(C)N1CCC([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587580753 DIXXYETXQJJKCT-SIKLNZKXSA-N 367.445 3.843 0 1 FHAF CN(C)C(=O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587134101 HRJHSQUEZFYALI-UHFFFAOYSA-N 369.343 3.777 0 1 FHAF Brc1n[nH]c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc12 587006581 IEUQRDOHFFNTFD-UHFFFAOYSA-N 371.194 3.640 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(-c3cc(C=O)ccn3)c1)O2 587394664 YEJHJKCXLBATAR-FQEVSTJZSA-N 359.385 3.553 0 1 FHAF COc1cc(-c2nc3ccnc(Br)c3[nH]2)cc(Cl)c1O 587046143 LDABWRAGDWVYKD-UHFFFAOYSA-N 354.591 3.755 0 1 FHAF COc1ccccc1CC(=O)c1nc2c(F)cc(Br)cc2[nH]1 587931177 RGAZYMOQRLACDX-UHFFFAOYSA-N 363.186 3.899 0 1 FHAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(cnc3ccccc32)[nH]1 587038305 GRRKOCCZKNKSOQ-UHFFFAOYSA-N 368.422 3.977 0 1 FHAF Cc1nccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587335220 GXMXBOZUTUUWBY-TZIWHRDSSA-N 364.376 3.904 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OC)c(OC)c1)[C@@H](C2)C3=O 587421542 NAUXLDYYHIXQON-KPZWWZAWSA-N 360.793 3.855 0 1 FHAF CCOC(=O)[C@H](c1ccccc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439530 BKPHQFDYYBLFPT-GTCCEBARSA-N 366.413 3.548 0 1 FHAF O=C1C[C@H](c2cn(Cc3ccccc3)nn2)Oc2c1ccc1c2CCCC1 587517500 OKFDNTMHBIEWPX-OAQYLSRUSA-N 359.429 3.912 0 1 FHAF CCN(c1ccc(-c2csc(-c3ccc(N)cc3)n2)cc1)S(C)(=O)=O 587923445 QAFXFIFZRZRNIL-UHFFFAOYSA-N 373.503 3.845 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cccc1O 587607275 HGFYALHWALMZNG-FXAWDEMLSA-N 350.326 3.506 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2cc[nH]c2c1 587591007 UAKRNWRXEHHQIZ-WIYYLYMNSA-N 358.353 3.971 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn3ccccc23)N1 587791758 GLPYHDMCIHHODQ-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccn2[C@@H](C)C(=O)OC)N1 962959823 QUBUCRHVAOWINL-LRDNONRASA-N 351.450 3.717 0 1 FHAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccncc2F)N1 963190755 WTVZVYKKWXYLMJ-UONOGXRCSA-N 374.721 3.581 0 1 FHAF COc1cc2[nH]c(-c3ccc4c(c3)[C@H](O)CC4)cc(=O)c2cc1-c1cnco1 12354270 FLGZEQZDTOBPEG-LJQANCHMSA-N 374.396 3.838 0 1 FHAF OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cccc(F)c1)[C@@H]23 169333634 ITSRLYKHJPKWRD-NMIHRBCNSA-N 360.517 3.663 0 1 FHAF CCOC(=O)c1ccc(-n2c(O)cc(Nc3ccc(O)cc3)c2O)cc1 169689327 BBCZIYOBLTZQOI-UHFFFAOYSA-N 354.362 3.514 0 1 FHAF CSc1nc(Cl)cc(Sc2n[nH]c(-c3cccc(F)c3)n2)n1 1857568557 HJXSICQEALZYLF-UHFFFAOYSA-N 353.835 3.927 0 1 FHAF COc1cc(S(=O)(=O)/C=C/c2cccc3[nH]ccc23)cc(OC)c1OC 1857586134 NFGYQURTBHDFAP-CSKARUKUSA-N 373.430 3.638 0 1 FHAF CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(-c3ncc[nH]3)c2)n1 1857654462 OYGVSTHPGRVGQX-UHFFFAOYSA-N 373.420 3.563 0 1 FHAF COc1ccc2c(c1)SC1=Nc3sc4cc(OC)ccc4[n+]3CN12 1663455 HAJFSHSXNMOKHJ-UHFFFAOYSA-N 356.452 3.777 0 1 FHAF Nc1ncnc2c1c(Oc1cccc(C(F)(F)F)c1)nn2[C@H]1C[C@H](F)C1 1911572897 CIRIZADWADLTJG-MGCOHNPYSA-N 367.306 3.893 0 1 FHAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]12C 3830837 DBEPLOCGEIEOCV-LWFHIICWSA-N 372.553 3.815 0 1 FHAF COc1ccc(-c2nc(CNC(=O)Nc3ccccc3)c(C)o2)c(OC)c1 8608256 XDMZGZPHYPFKCI-UHFFFAOYSA-N 367.405 3.989 0 1 FHAF c1ccc(-c2cc(NCCN3CCOCC3)nnc2-c2ccccc2)cc1 27902963 ALWGUMZAUWVVRF-UHFFFAOYSA-N 360.461 3.555 0 1 FHAF Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)c(C)c1 117583332 YKQHIILQZCZESD-UHFFFAOYSA-N 353.466 3.815 0 1 FHAF CN1[C@@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccccc4)cc13)C2 100632653 IFBOMCGSZBBKMP-AUUYWEPGSA-N 366.486 3.703 0 1 FHAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](n2cnc3cnc4[nH]ccc4c32)CC1 101537699 VBEGYGRCLFKGNY-BETUJISGSA-N 355.442 3.921 0 1 FHAF COc1cc2cc3c(c(O)c2c(O)c1C=CC(C)C)C(=O)C[C@@](C)(O)C3 2356501885 QEMNROQOCQGNHL-NRFANRHFSA-N 356.418 3.809 0 1 FHAF O=S(=O)(O)Oc1ccc2c3c1-c1cc(ccc1O)CCC=C[C@@H]3CC2 2356828588 IIKSMQBNPNSTNO-CYBMUJFWSA-N 358.415 3.773 0 1 FHAF CC(C)CCNC(=O)[C@]1(C)CCN1Cc1ccc(-c2ccccn2)cc1 61906106 AHGWSSPTANVEEY-QFIPXVFZSA-N 351.494 3.875 0 3 FHAF Cc1ccc(N2CCN(Cc3coc(-c4ccc(O)cc4)n3)CC2)cc1C 72186380 PJSLXYLUENJECF-UHFFFAOYSA-N 363.461 3.986 0 1 FHAF COc1ccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)cc1 72123584 PQSVPQAETLKNBZ-UHFFFAOYSA-N 371.487 3.758 0 1 FHAF COc1cccc(-c2nc(CN3CCN(Cc4ccccc4)CC3)co2)c1 72102235 AYQQQZYQIFRBLG-UHFFFAOYSA-N 363.461 3.668 0 1 FHAF S=c1[nH]c2ccc(CCCN3CCN(c4ccccc4)CC3)cc2[nH]1 38422626 NEUIVMZLDPIEPD-UHFFFAOYSA-N 352.507 3.980 0 1 FHAF CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc(Cl)c2oc(N)nc2c1 96934817 MWRBYTBKNVATAC-INIZCTEOSA-N 354.797 3.761 0 1 FHAF O=C(N[C@H](Cc1ccccc1)C(=O)O)c1coc(/C=C/c2ccccc2)c1 621431255 SQRWSFIEAOLONT-YVNCXZRQSA-N 361.397 3.876 0 1 FHAF C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 299821132 VFTOBPQVFABRND-ULPGVBKRSA-N 359.510 3.963 0 1 FHAF COc1cc(-c2nn[nH]c2-c2c[nH]c3ccccc23)cc(OC)c1OC 653764377 TYMUDKALDLIOAQ-UHFFFAOYSA-N 350.378 3.646 0 1 FHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc3ncccc3c2[nH]1 587194146 MOMDOHMXSYFGAI-INIZCTEOSA-N 369.469 3.629 0 1 FHAF COc1cc(/C=C\c2nc3nc(Cl)c[nH]c-3n2)ccc1Br 586977078 NBSWTVQLDJWNQN-HYXAFXHYSA-N 365.618 3.899 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 587229445 ATWKKFMSFVKWJG-UWVGGRQHSA-N 371.815 3.531 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(N)c(N)c1)O2 587388840 HHTWSVFUEVHMFK-JOCHJYFZSA-N 359.429 3.651 0 1 FHAF COC(=O)c1ccc2nc(COc3cccc(OCC(C)C)c3)[nH]c2c1 587565577 DXBBLEWVPOFIIY-UHFFFAOYSA-N 354.406 3.963 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(O)c(F)cc31)CC2=O 587470775 ISHYDMRCXDHNAK-HXUWFJFHSA-N 358.365 3.833 0 1 FHAF O=C(c1ccccc1)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 586969810 OIWINKPXDRWQJN-UHFFFAOYSA-N 361.426 3.720 0 1 FHAF Cc1c(Br)cnc2[nH]c(C(C[C@H]3CCCN3)=C(F)F)nc12 587089092 YCJZPJNNBXLRDC-MRVPVSSYSA-N 357.202 3.779 0 1 FHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(Cl)nn1 587659268 ZYOSGSNYHPIZEK-UHFFFAOYSA-N 352.756 3.635 0 1 FHAF COc1nc2sccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587538929 SFQADVQCNLVVOR-HNNXBMFYSA-N 354.431 3.990 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cccnc1)[C@@H](C2)C3=O 587427477 IBSVGRXKTUCUTM-PGRDOPGGSA-N 361.372 3.921 0 1 FHAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(C(C)(C)C)cccc3[nH]2)c1 586937300 YFONTGZKSSDOJH-UHFFFAOYSA-N 360.483 3.542 0 1 FHAF Nc1ccnc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587151668 SNXLHNJHCFDNRS-QGZVFWFLSA-N 352.344 3.987 0 1 FHAF COc1cc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1C 586972625 JLSJMEOLPKOTEF-GOSISDBHSA-N 369.490 3.991 0 1 FHAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2nc(Cl)c[nH]c-2n1 587163433 PLQFARPNIWWBDL-UHFFFAOYSA-N 352.756 3.995 0 1 FHAF O=C(O)c1coc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1 962636925 JKKUXVQKQGMHDP-KNQAVFIVSA-N 374.440 3.814 0 1 FHAF Cc1ccnc2[nH]cc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c12 962731459 SCSJPUQLXOPHER-HOCLYGCPSA-N 359.351 3.606 0 1 FHAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1cn2c(n1)SCC2 962711514 PNEWBMNPVWGHTO-SJKOYZFVSA-N 361.511 3.581 0 1 FHAF COc1ccc(OCCCn2ccc3ccc(OCC(=O)O)cc32)cc1 1772578313 HPMKEJGBIQUUBF-UHFFFAOYSA-N 355.390 3.582 0 1 FHAF COc1ccccc1-n1nc2c3ccc(Br)cc3[nH]cc-2c1=O 1772586745 SMVMDVALPRQYTP-UHFFFAOYSA-N 370.206 3.590 0 1 FHAF COc1cc([C@H]2Oc3c(OC)cc([C@H](OC)[C@@H](C)O)cc3[C@@H]2C)ccc1O 13340382 DHRVKFSLKMAPEL-BKMURAPUSA-N 374.433 3.715 0 1 FHAF in-man COc1ccc(C2=NNC(=O)[C@@H]3CCCC[C@H]23)c2c1OC1(CCCC1)C2 13474142 JFIPQLSQEHFZKL-DZGCQCFKSA-N 354.450 3.583 0 1 FHAF CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC)n(CC)c1=O 13536179 AYWACOPDGDMANU-UHFFFAOYSA-N 373.497 3.882 0 1 FHAF O=C(N[C@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@@H]1CCC[C@@H]2C1 100102619 ZIAMDRHEQRSMSY-SIIHOXLZSA-N 360.885 3.583 0 1 FHAF CCCN1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccncc1 1911580729 IYSNCTAZKXGADA-KRWDZBQOSA-N 360.255 3.598 0 1 FHAF COC(=O)[C@@H]1[C@@H](OC(c2ccccc2)c2ccccc2)C[C@H]2CC[C@H]1N2C 100761214 JHZOGWJGKSOSOG-CGXNFDGLSA-N 365.473 3.817 0 1 FHAF CO[C@@H]1CC[C@@H]2CN(CCc3ccccc3)[C@@H]1CN2Cc1ccccc1 101111214 WYUPWHUGPAKEOJ-DNVJHFABSA-N 350.506 3.593 0 1 FHAF CC(C)CCC(=O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27883240 WXVJDJXNKUDABX-MFHCWRBVSA-N 354.487 3.980 0 1 FHAF Clc1cccc(-c2[nH]nc3c2CN(C2CCOCC2)CC3)c1Cl 20992796 SUUHEIBACKWJGO-UHFFFAOYSA-N 352.265 3.921 0 1 FHAF O=C(c1ccc2[nH]c(=O)sc2c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21 117622785 NCCLTCBQMWNGTR-WBVHZDCISA-N 350.443 3.534 0 1 FHAF O[C@@H](CCNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 28823938 CFAIJELKYFWCTL-XDHFQJGLSA-N 354.494 3.856 0 1 FHAF in-vitro CCN1CCN[C@H](c2ccc(OC)cc2F)[C@@H]1c1ccc(OC)cc1F 26393155 FKUCZPVCLOVUMY-UXHICEINSA-N 362.420 3.690 0 1 FHAF NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1 28825028 RAFLIAKPWNTXKX-UHFFFAOYSA-N 373.456 3.574 0 1 FHAF COC(=O)[C@H](CC1=C(O)C(=Cc2ccccc2)OC1=O)c1ccccc1 2356781692 JBSVMXLHJAADOB-MRXNPFEDSA-N 350.370 3.743 0 1 FHAF CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@H](C)O 34337850 CVIBDXQYFNZNMA-HOCLYGCPSA-N 368.485 3.591 0 1 FHAF Clc1nc(Cl)c2ncn(C[C@@H]3CSc4ccccc4O3)c2n1 72179362 FQZMVZLYJIOZRG-MRVPVSSYSA-N 353.234 3.686 0 1 FHAF CC1=C2C[C@]3(CN4C[C@@H]4CNCCCCO)CC[C@@H](C)[C@@]2(CC1)C3(C)C 85548306 CJCOYVGFGUSBGU-NOSGSTMVSA-N 360.586 3.976 0 1 FHAF biogenic,in-vitro Cc1nnc(-c2ccc3occ(-c4ccc(S(C)(=O)=O)cc4)c3c2)o1 140930002 LFNAXZHBJLURMP-UHFFFAOYSA-N 354.387 3.862 0 1 FHAF COC(=O)CC1=C[C@@H]2C[C@@H]3[C@@]1(CC[C@H](C)[C@@]3(C)CCC1=CC(=O)OC1)CO2 238731228 OPAXJAJPWSLTMT-IMVRHRSNSA-N 374.477 3.581 0 1 FHAF CC(C)[C@H]1[C@H]2C[C@]3(C)[C@H]4CC[C@@H]5CCC=C5[C@]3(CCC(=O)O)[C@@H]1N[C@H]4O2 238752503 SOIZKWUEDVIFPK-ZVPUOSTGSA-N 359.510 3.963 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 146839606 FHWOSRUUSHMKKA-NHDVRJRVSA-N 356.466 3.595 0 1 FHAF Cc1cc2c(cc1C)[n+](=O)c(C(F)(F)F)c(C(=O)c1ccccc1)n2O 377836383 QXEWIKAMXQFCMK-UHFFFAOYSA-N 363.315 3.660 0 1 FHAF Cc1cn(Cc2ccccc2-n2cc(CC(=O)O)c3ccc(C)nc32)c(C)n1 299828912 SKWKAOIDTHUDLY-UHFFFAOYSA-N 374.444 3.823 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(OC(C)C)cc2[nH]1)C(C)C 586932098 AAQJCYZUFPQHKL-KRWDZBQOSA-N 367.515 3.767 0 1 FHAF COC(=O)c1cccc2c1c([C@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2C 587390275 LTDRFXFHYXFCFR-GOSISDBHSA-N 364.401 3.562 0 1 FHAF Cc1cc(C)c(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1 587651947 HPPPYMPZWNHTIG-UHFFFAOYSA-N 356.809 3.694 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12Cc1ccccc1C2=O 587604713 VLFKLPDIOQZPDV-GCJKJVERSA-N 358.349 3.532 0 1 FHAF COCc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587768545 DGVXQBBZPQBISQ-BTDLBPIBSA-N 365.246 3.753 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2cncn12 587585807 GMIKLGXHNBVKOJ-RXVVDRJESA-N 358.353 3.743 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(SC)cc1OC)[C@@H](C2)C3=O 587452257 NSYLVMLYOTWOAN-RBZFPXEDSA-N 372.442 3.923 0 1 FHAF Cc1cccc(OCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1C 587564494 UGARQOJFMHUDIY-UHFFFAOYSA-N 351.450 3.591 0 1 FHAF C[C@H](Sc1ncccn1)c1nc2c(F)cnc(Br)c2[nH]1 586961210 GKXJVXOWBOAHNR-LURJTMIESA-N 354.208 3.503 0 1 FHAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)C(C)C)[nH]c4c3)o2)cc1 587259597 XEBCTKKAENAMMP-KRWDZBQOSA-N 363.421 3.944 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(C)nn(C)c1C)O2 587390746 NTAKMAWUMGBNJP-QFIPXVFZSA-N 361.445 3.837 0 1 FHAF CCOC(=O)CC[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 587415359 ZDDHBIFJQAKADD-LJQANCHMSA-N 359.447 3.843 0 1 FHAF CC(C)n1cncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587756597 SIOMNJDEEJVUDN-MGPLVRAMSA-N 352.251 3.989 0 1 FHAF NC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587373797 JFAZEESUHXQTMV-ICSRJNTNSA-N 369.417 3.806 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(F)c1O)O2 587381289 GKOMDWAHBKNRPS-ZDUSSCGKSA-N 366.186 3.891 0 1 FHAF Cn1ncc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc21 587581766 MLWUGYXENGPLJC-DENIHFKCSA-N 372.380 3.982 0 1 FHAF COC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591881 FLDDYAYJQDVMCU-UGKGYDQZSA-N 362.381 3.896 0 1 FHAF C[C@@H]1[C@H](CC(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587605083 XEDZMYNKZAZEQM-YWEHRLLKSA-N 368.385 3.613 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCSCC4)cc1)[C@@H](C2)C3=O 587454505 XUIJPDDRZFXZAT-LAUBAEHRSA-N 367.470 3.737 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 962944851 FYDNYIRYIKQXSV-ASSNKEHSSA-N 365.864 3.966 0 1 FHAF CC[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)NCCc2cc(C)c(F)cc21 962094453 SRGRCGPFOCLYQC-GOTSBHOMSA-N 368.496 3.786 0 1 FHAF Cc1nnc2c(Nc3cccc(CNC(=O)C(C)C)c3)nc3ccccc3n12 1772628311 AJSUFHDNKDUFOB-UHFFFAOYSA-N 374.448 3.602 0 1 FHAF COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@@H]1c1ccc(F)cc1 169301946 KTNDCZAEYZQVHN-YJBOKZPZSA-N 360.816 3.998 0 3 FHAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](NCCF)[C@@H](CC(C)C)CN1CC2 169303190 YMERYCTWSIREBR-UHOSZYNNSA-N 364.505 3.597 0 1 FHAF CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)[C@H]2C(=O)CC(C)(C)CC2=N1 169691505 QSAMTTNJIUOMCS-RTBURBONSA-N 354.450 3.851 0 1 FHAF COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169717159 JUUYNFHQKQIBCF-SLXODSOVSA-N 372.468 3.981 0 1 FHAF COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1 1857557437 IEUILNNAXQDVCX-UHFFFAOYSA-N 368.477 3.975 0 1 FHAF NC(=S)c1cccc(-c2cn(CC3(F)CC3)c3cc(CO)ccc23)c1 1857586780 LMJNJQPTNLTYHW-UHFFFAOYSA-N 354.450 3.937 0 1 FHAF CO[C@@H](c1[nH]c(=NC2CCCC2)nc(O)c1C)c1c(F)cccc1Cl 1857614612 RSSVXGHREHPYIF-MRXNPFEDSA-N 365.836 3.795 0 1 FHAF COc1ccc(-c2nnn(-c3cccc(C(F)(F)F)c3)c2N)cc1OC 2461973 RGTNFZXMJTZVQL-UHFFFAOYSA-N 364.327 3.553 0 1 FHAF O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2466538 GMINBRNEPLYLJJ-RTWAWAEBSA-N 369.424 3.557 0 1 FHAF CSc1ccc(C2(O)CCN(Cc3c[nH]c4ncccc34)CC2)cc1 53226480 CWPNHPQGJLXJNH-UHFFFAOYSA-N 353.491 3.768 0 1 FHAF C[C@@H](c1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(C(N)=O)c1)C2 101366405 IDPGDKXBQTZRGW-RMYQPGKMSA-N 350.462 3.921 0 1 FHAF Cn1ccc(-n2cnc3ccc(OCc4ccc5ccccc5n4)cc32)n1 103246002 YCRLDHGOQXHFCQ-UHFFFAOYSA-N 355.401 3.886 0 1 FHAF Nc1ccc(NCCc2ccc(OCCCN3CCCCC3)cc2)nc1 138940131 SKLKYMNXKBBKKF-UHFFFAOYSA-N 354.498 3.573 0 1 FHAF COc1cc(Cl)ccc1O[C@@H](c1ccccc1F)[C@H]1CNCCO1 89465208 LHOSACAWSLTLQJ-MSOLQXFVSA-N 351.805 3.596 0 1 FHAF in-vitro C[C@H]1CCCN1c1nc2cc(C(=O)O)c(O)cc2nc1-c1ccc(F)cc1 653671936 TXBZLMDSTWZQFI-NSHDSACASA-N 367.380 3.828 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](C(=O)O)CC2)N1 587827436 OSBHHFLVMVQBSC-RLFDGXBXSA-N 370.262 3.983 0 1 FHAF CCOCc1ccc(-c2nc3cc(I)ccc3[nH]2)o1 586903279 NSQNRZSCUUMARP-UHFFFAOYSA-N 368.174 3.964 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(N(CC)CC)n1 587871933 QBLOQVUSKZLXTL-UHFFFAOYSA-N 355.417 3.713 0 1 FHAF CCn1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587764404 PLYHHQGOYZIMNP-FVMDXXJSSA-N 352.251 3.737 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(Br)c(F)c2[nH]1 587117900 MAAMBDJUSCIIDZ-UHFFFAOYSA-N 363.112 3.884 0 1 FHAF CCCCCc1[nH]c2c(C)cc(Cl)cc2c1C(=O)N[C@@H]1CCOC1=O 587626760 HWHQLUCNKNGPET-OAHLLOKOSA-N 362.857 3.908 0 1 FHAF Cc1n[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587802115 JZCVCOKEGQPPFF-BCTVWOGZSA-N 352.251 3.726 0 1 FHAF Cc1nn(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587546052 HWAGOPJNYFHXSW-LIRRHRJNSA-N 370.792 3.790 0 1 FHAF Cc1[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1CC(=O)O 587528040 WIEMKTBEPSMDEW-SFHVURJKSA-N 353.418 3.844 0 1 FHAF Cc1[nH]nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587692590 BJVATVMOKGBMNX-UANNBLPKSA-N 358.642 3.897 0 1 FHAF CCC[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344887 DDUGFECVQHYNNN-RXVVDRJESA-N 372.392 3.992 0 1 FHAF Cc1ccc(NC(=O)CSCCc2nc3cc(Cl)ncc3[nH]2)cc1 586971367 VFQYJYRCXFMFBS-UHFFFAOYSA-N 360.870 3.834 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn2ccnc12 587588273 SDFRWSMQSRSBLQ-FXAWDEMLSA-N 358.353 3.743 0 1 FHAF C[C@]1(c2ncccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570355 WHIRWUMIIZCLJY-JXFKEZNVSA-N 351.333 3.803 0 1 FHAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)ccc(F)c12 587504494 HLBRRAONNHQAFQ-FQEVSTJZSA-N 355.340 3.656 0 1 FHAF c1ccc2c(c1)CC[C@@]21C[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 586892369 WWWYSHSWVWPXKS-AUSIDOKSSA-N 359.473 3.767 0 1 FHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(C)=O)cc4[nH]1)(C3)C2 587950840 OKDUBXAVLQSDOR-XFKLWTPLSA-N 352.434 3.919 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C3CC3)nn2C)N1 587763640 KTHUBSIFEIPLOS-HUTHGQBESA-N 364.262 3.823 0 1 FHAF CCN(CC)C(=O)Nc1ccc([C@@]2(C)NCCc3c(C)ccnc32)cc1 963072717 UNGWMUMMFYCJDV-OAQYLSRUSA-N 352.482 3.673 0 1 FHAF Cc1nccn1CC[C@@]1(C)NC2(CC2)Cc2ccc(Br)cc21 961617758 VXZZQFZYROTSSL-QGZVFWFLSA-N 360.299 3.938 0 1 FHAF COc1ccc([C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)F)cc1O 204880188 WRXRLXWOJQRLAU-INIZCTEOSA-N 354.349 3.824 0 1 FHAF COc1ccc(F)c([C@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2OC)c1 1772577295 MVTQJLVXODOUEE-LBPRGKRZSA-N 369.396 3.724 0 1 FHAF Cc1[nH]nc2ccc(C(=O)N3CCN(C)C[C@H]3c3ccc(Cl)cc3)cc12 1772642411 QLSTWYIPABBKKG-IBGZPJMESA-N 368.868 3.654 0 1 FHAF C[C@H](CCN)[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 13582103 PEAFVGSJDSBIIY-VEPRGJRUSA-N 363.586 3.962 0 1 FHAF CCN(C(=O)N1CCN(c2ccccc2C)CC1)c1ccc(OC)cc1 169303962 GYDZXTDZPCJSEO-UHFFFAOYSA-N 353.466 3.772 0 1 FHAF O[C@@H]1CCCC[C@@H]1CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204409326 KQEMKPRNLPTVAS-RHSMWYFYSA-N 365.399 3.803 0 1 FHAF COC(=O)C1=C(C(C)(C)C)NC(=S)N[C@H]1/C=C/c1ccc(Cl)cc1 1857541980 QYBNAUHQYUHYIO-RSPDNQDQSA-N 364.898 3.673 0 1 FHAF COc1ccc(OC)c(COc2ccccc2C(=O)Nc2cccnc2)c1 1857594381 JYTNXBVKPSATBU-UHFFFAOYSA-N 364.401 3.930 0 1 FHAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)[C@@H](O)C[C@@H](O)C=CC=C2 1857743500 JBDGCSAIKVLKHB-RDJZCZTQSA-N 370.401 3.569 0 1 FHAF FC(F)(F)c1cccc(-c2nc3cc(N=c4cccn[nH]4)ncc3[nH]2)c1 1857762803 AQFFGZWKLJRTKO-UHFFFAOYSA-N 356.311 3.599 0 1 FHAF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4055350 QAEZLBCBRWDDSB-HKUYNNGSSA-N 372.852 3.585 0 1 FHAF O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1nncs1 100918326 WSVNJVYJNVTLQN-MBFGLIKCSA-N 356.289 3.601 0 1 FHAF NC(=O)c1cccc(Nc2nccc(Nc3ccc4ncsc4c3)n2)c1 28950561 RPVNTDKGWIGHDN-UHFFFAOYSA-N 362.418 3.672 0 1 FHAF C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27618024 LDXMKHXUECDJIB-INIZCTEOSA-N 366.461 3.795 0 1 FHAF CCCCCC=CCC[C@@H](O)CCCCCCCC(=O)OC(CO)CO 2356694739 FHSDYFSJAFSCKH-LJQANCHMSA-N 372.546 3.891 0 1 FHAF CCCN(c1ccccc1Br)S(=O)(=O)c1ccc(O)cc1 28568940 FTGXVMKHXANBNY-UHFFFAOYSA-N 370.268 3.760 0 1 FHAF Cc1nc2ccccc2c(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)c1O 45324356 QSKOAYXUZNLLLG-UHFFFAOYSA-N 358.438 3.816 0 1 FHAF Cc1ccc(Cl)cc1NC(=S)OCCN1C(=O)c2ccccc2C1=O 40420624 KJBDJXOBSSLGDS-UHFFFAOYSA-N 374.849 3.658 0 1 FHAF CCOc1ccc(Nc2nc3cc(C(N)=O)ccc3n2CC(C)C)cc1 82191637 KNXFHUQDYJDVNX-UHFFFAOYSA-N 352.438 3.934 0 1 FHAF O=C(NCC1(F)CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 49048302 QZHQGKPLHXJZRJ-UHFFFAOYSA-N 364.823 3.968 0 1 FHAF CCCCCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2c(C)nn(C)c21 95596656 LQIDSALQLDMRCB-UHFFFAOYSA-N 370.428 3.625 0 1 FHAF Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c1 96175140 GKAVQMFVPQKDDL-KDOFPFPSSA-N 366.486 3.669 0 1 FHAF COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)CC[C@H]3N(C)CC2 238731172 IZMFYJJTGTVMPX-CQSZACIVSA-N 355.434 3.560 0 1 FHAF COc1cc(CCc2nn[nH]n2)cc(Cl)c1OCc1ccc(C)cc1 473154513 IEQDHYMUQPIQKJ-UHFFFAOYSA-N 358.829 3.534 0 1 FHAF C[C@]1(c2[nH]nc3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590714 AIHZIOKFFFSIBU-IERDGZPVSA-N 373.368 3.541 0 1 FHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(OC)cc(OC)cc3[nH]2)cc1 587787475 VYYBKOQOWFOGFT-CABCVRRESA-N 352.390 3.524 0 1 FHAF COc1ccc(O)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594624 OZGOLSJANQFIAA-NQIIRXRSSA-N 364.353 3.809 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(SC(=O)N(C)C)cc1)[C@@H](C2)C3=O 587452313 OEUSGHBBWQUKDE-KXBFYZLASA-N 369.442 3.958 0 1 FHAF CCCOc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1Br 586958728 HVFBQQZRLQJKQF-OAQYLSRUSA-N 371.300 3.773 0 1 FHAF CCOc1ccccc1[C@](N)(c1nc2c(C)nc(C)cc2[nH]1)C(F)(F)F 587091181 BYINMJLOAXUUBN-KRWDZBQOSA-N 364.371 3.738 0 1 FHAF COc1ccc2c(c1)OC=C(N)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511700 RPQPFMHHMZSQNF-JOCHJYFZSA-N 363.413 3.627 0 1 FHAF COc1ccc(NC(C)(C)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 587201368 LGVPKXDEZSVJAZ-UHFFFAOYSA-N 351.332 3.679 0 1 FHAF COc1cc(C(C)=O)c(OC)n1-c1cc(F)c(Br)cc1F 587943894 RWGRSCGTOZERBI-UHFFFAOYSA-N 360.154 3.738 0 1 FHAF Cc1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1C 587037135 DZBLOZHHORHMDZ-GFCCVEGCSA-N 367.478 3.927 0 1 FHAF COc1ccncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587771266 BTVGCPOBJZKKIR-JDNHERCYSA-N 351.219 3.615 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(CO)cc4[nH]3)c2)c1 587235308 NERBKEDGETVFOE-UHFFFAOYSA-N 371.440 3.673 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)cc(OC)cc1OC)CC2=O 587483163 VWWBAZHPZYVDNV-GOSISDBHSA-N 358.390 3.774 0 1 FHAF CC[C@]1(C2=NCCS2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587856582 NLVGOOUOCGZYJS-VFZGTOFNSA-N 357.292 3.873 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1O 587556543 KASNJSMUFTVNRH-OXQOHEQNSA-N 352.317 3.940 0 1 FHAF Cc1ccc([C@]2(CO)NC3(CC3)Cc3ccc(Br)cc32)cc1 961324744 NUGYXRYKBBNWBA-IBGZPJMESA-N 358.279 3.672 0 1 FHAF CCCS(=O)(=O)c1cccc([C@@H]2N[C@@H]3CC[C@H]3c3ccc(OC)cc32)c1 962998997 XJRDMOBLDAQQJF-TYPHKJRUSA-N 371.502 3.818 0 1 FHAF COc1ccc2c(c1)CC[C@@]1(C2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963602632 AGEBSZPBAYGAPT-FPTDNZKUSA-N 353.462 3.631 0 1 FHAF COc1cc(C(=O)N[C@H](C)c2c(F)cccc2F)ccc1-c1cn[nH]c1 1772593231 WSXKSMSBOLIXMK-LLVKDONJSA-N 357.360 3.855 0 1 FHAF COc1cc(C(=O)N[C@@H](C)c2ccccc2OC)ccc1-c1cn[nH]c1 1772612404 VBBARCMTJPDGFK-ZDUSSCGKSA-N 351.406 3.585 0 1 FHAF O=C1S/C(=C/c2ccc3cc(F)ccc3n2)C(=O)N1CCN1CCCC1 1772638410 RVVKTFSEPZEPSD-SFQUDFHCSA-N 371.437 3.506 0 1 FHAF CS(=O)(=O)c1ccc(-c2nc3cnccn3c2-c2ccc(F)cc2)cc1 13861646 NXPJXTFXLZXCPR-UHFFFAOYSA-N 367.405 3.606 0 1 FHAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(C(F)(F)F)cc1 169364341 DDASMJFFKOSRQN-IXRMJJIHSA-N 351.368 3.745 0 1 FHAF O=C(NCc1ccccc1)c1cc2c(OC3CCNCC3)cccc2s1 1857537151 ZWPWQRNKNSNWEV-UHFFFAOYSA-N 366.486 3.962 0 1 FHAF Cc1ccc2oc(=O)c(C(=O)c3ccc(OC(C)(C)C(=O)O)cc3)cc2c1 1857639613 PUWPUEBESJASDY-UHFFFAOYSA-N 366.369 3.574 0 1 FHAF CC1CCC(C[C@@H](NC(=O)[C@H]2Cc3ccc(O)cc3CN2)C(C)C)CC1 1857748319 QWQOHSKKIXAZEE-OKZNBEIPSA-N 358.526 3.764 0 1 FHAF O=C(c1cccc(F)c1)N1CCC2(CCCN(c3ccncc3)C2)CC1 3956075 NLWKFQOXAGNVJF-UHFFFAOYSA-N 353.441 3.744 0 1 FHAF COc1ccccc1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1 100086254 FCPLDXWPGMEXLL-WGSAOQKQSA-N 351.494 3.939 0 1 FHAF COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)CC2(C)C)cc1 61923200 MOPWQWVSCRSRQB-LJQANCHMSA-N 366.461 3.709 0 3 FHAF Brc1cccc(COc2ccc3c(c2)CCc2nncn2-3)c1 28524481 DONFSJIDSSZQKB-UHFFFAOYSA-N 356.223 3.707 0 1 FHAF CCCCOC(=O)n1c2ccccc2c2oc(C(=O)N3CCOCC3)cc21 26384645 ZCTHJDKIVYWHRR-UHFFFAOYSA-N 370.405 3.645 0 1 FHAF CCN(CC)C(=O)c1ccc([C@@H](NCC(C)(C)N)c2ccccc2)cc1 28761663 IYBYJCAFJVDVFN-FQEVSTJZSA-N 353.510 3.585 0 1 FHAF CCCCN(C(C)=O)[C@@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356834036 KLNCHYGQYTZHIB-OAQYLSRUSA-N 368.477 3.701 0 1 FHAF CC1(C)C(C(=O)c2cn(CCN3C(=O)CCC3=O)c3ccccc23)C1(C)C 35846665 AVPCNOHVEKLSOS-UHFFFAOYSA-N 366.461 3.655 0 1 FHAF COc1cc(OS(=O)(=O)O)cc(C/C=C(\C)CCC=C(C)C)c1O 199749623 DRAYHHJKKGGZRK-MDWZMJQESA-N 356.440 3.818 0 1 FHAF CC(=O)N(C)CCc1c[nH]c2cc(Br)c(Br)cc12 238788036 BXXSSMHJIJNTFJ-UHFFFAOYSA-N 374.076 3.714 0 1 FHAF O=C(CCCCCONC(=O)Nc1ccccc1)Nc1ccccc1O 95596848 ZTDAOBRKIRAYPM-UHFFFAOYSA-N 357.410 3.644 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 254091759 FHWOSRUUSHMKKA-ORVJBUBXSA-N 356.466 3.595 0 1 FHAF O=S(=O)(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccccc1 653848896 BXNKWRMZNYIVEV-UHFFFAOYSA-N 369.324 3.556 0 1 FHAF N=c1nc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c[nH]1 587069673 GCUPRTWHNDTOGF-UHFFFAOYSA-N 351.797 3.665 0 1 FHAF O=C(O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587091949 PKOFAGSOWKHGCT-UHFFFAOYSA-N 353.325 3.978 0 1 FHAF CCCn1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587755509 AHFXYNMGXLFYEK-QLJPJBMISA-N 352.251 3.818 0 1 FHAF CC(C)OC(=O)C1(c2nc3cc(C(F)(F)F)cnc3[nH]2)CC(F)(F)C1 587130336 IBTPJOFJXKWBCQ-UHFFFAOYSA-N 363.286 3.595 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn3cc(Br)ccc3n1)O2 587371465 FRCMKZFESQJVST-OAHLLOKOSA-N 372.222 3.694 0 1 FHAF COCCOCCCc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587400967 SSBZKFLMMXXAMX-NRFANRHFSA-N 369.461 3.879 0 1 FHAF Cc1nn(C)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581419 LFAXACPANDGMHY-GHTZIAJQSA-N 364.401 3.620 0 1 FHAF CC(=O)SCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611598 GUYCQWHQCWZHQO-RDJZCZTQSA-N 358.415 3.782 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(F)c(F)c1)O2 587384646 GYLUBCCYSBLABW-LJQANCHMSA-N 360.360 3.608 0 1 FHAF CCc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1Br 586977684 PPZHIRLRHLPRGJ-UHFFFAOYSA-N 367.297 3.922 0 1 FHAF O=C(O)C[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990935 ONOUXUQHAIZTOR-NSHDSACASA-N 359.381 3.731 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccnc1C(=O)O)O2 587394443 UYIAMMWNJSGROP-JOCHJYFZSA-N 374.396 3.579 0 1 FHAF CCc1nccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774932 OJPPZVFJVIFOEJ-XXFAHNHDSA-N 350.235 3.564 0 1 FHAF CC[C@H](C)c1cc2c(N/N=C/c3nc(CNC)cs3)ncnc2s1 72317954 XVJGPSBOQZKQIQ-CUFAKQEUSA-N 360.512 3.827 0 1 FHAF Cc1c(F)ccc2c1[C@@H](c1cc(-c3ccc4c(c3)OCO4)no1)NCC2 962294294 BNBLQIUZSKVNQB-HXUWFJFHSA-N 352.365 3.753 0 1 FHAF COc1ccc2c(c1)[C@@](C(=O)O)(c1c[nH]c3ccccc13)N(C(C)C)CC2 962088354 GZHFNAHHKADOLK-QFIPXVFZSA-N 364.445 3.771 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@H]([C@@H]2NCCc3cnc4c(OC)cccc4c32)C1 963047436 QBAAOFMKLJDYFM-MDOVXXIYSA-N 368.477 3.800 0 1 FHAF CCn1cc([C@@]2(CC)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c(C)n1 962557849 AGWIEKDOLSBFQL-SZNDQCEHSA-N 357.498 3.759 0 1 FHAF C[C@@H](O)c1cc(C(=O)NCc2c(F)cccc2Cl)ccc1-c1cn[nH]c1 1772636496 WQKAWEFODUZYFB-LLVKDONJSA-N 373.815 3.853 0 1 FHAF CCOC(=O)C1=C(C)c2ccccc2O[C@@]1(C(=O)OCC)c1ccccc1 13813484 HQKWISRPADHZJY-QFIPXVFZSA-N 366.413 3.874 0 3 FHAF COC(=O)/C1=C/C=C(\C(C)C)CCC2=CCC[C@](C)(OC2=O)C(=O)CC1 169298463 SSRWHVBVQPAITB-GDZWGWEGSA-N 360.450 3.833 0 1 FHAF OCCNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 169703757 FRNJGLWAJAIZJW-UHFFFAOYSA-N 372.831 3.952 0 1 FHAF O=C(CCc1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 206058837 PAQLEULJWUETTM-RHSMWYFYSA-N 372.827 3.673 0 3 FHAF O=C1Nc2ccc(C(=O)c3ccco3)cc2/C1=C/c1cc(F)c(O)c(F)c1 1857600462 WYSIBZQJYMRURG-MLPAPPSSSA-N 367.307 3.987 0 1 FHAF O=C(O)/C=C/c1ccc2oc(C(=O)Nc3cccc(Cl)c3)cc(=O)c2c1 1857765222 JCIZRJIFWMJSIL-FNORWQNLSA-N 369.760 3.797 0 1 FHAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCO 4310681 JWNYNQYZDKHBEP-IRXDYDNUSA-N 370.852 3.602 0 1 FHAF C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(-c2cnco2)cc1 1911582393 FIMXROKJGGXDRJ-ZDUSSCGKSA-N 365.389 3.552 0 1 FHAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1COC(=O)N1c1cccs1 1911583261 RBNVMCXNIATHHF-LBPRGKRZSA-N 371.245 3.697 0 1 FHAF COc1cccc([C@@H](O)c2n[nH]/c(=N/c3cccc(C(C)C)c3)s2)c1 103780751 JZNWNNCZYCSHKS-QGZVFWFLSA-N 355.463 3.917 0 1 FHAF Cc1ccccc1OC[C@H](O)CNC(C)(C)Cc1c[nH]c2ccccc12 26741385 LBQVRBUQVRRHIB-GOSISDBHSA-N 352.478 3.827 0 1 FHAF CNc1nc(C)c2cc(-c3cnc4[nH]ccc4c3)c(=O)n(C3CCCC3)c2n1 117701150 MDFANPCWLZYZDS-UHFFFAOYSA-N 374.448 3.800 0 1 FHAF O=C(Nc1scnc1C(=O)Nc1nccs1)c1cccc(Cl)c1 28122257 ISHUGZAGPIAKKD-UHFFFAOYSA-N 364.839 3.758 0 1 FHAF O[C@@H](c1ccc(Cl)cc1)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1 26004805 SWBGCNUQZWWMRM-ZWKOTPCHSA-N 363.244 3.811 0 1 FHAF Oc1ccc([C@@](O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1 26942366 VMLXPRXNXAICKB-JOCHJYFZSA-N 357.413 3.587 0 1 FHAF CCc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C)C(=O)CC(C)C 61905999 RUDVVQFALQYWGO-UHFFFAOYSA-N 373.497 3.900 0 3 FHAF CCCCC[C@](C)(O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CC=CCCCC(=O)O 2356696411 XSGQFHNPNWBVPT-VKRLORBYSA-N 366.498 3.641 0 1 FHAF CN1C=C([C@@H]2CCCCN2C(=O)c2ccccc2Br)C=CC1 2356841238 NGBYFFFCKCPMDO-KRWDZBQOSA-N 361.283 3.829 0 1 FHAF CSc1ccc(CNC(=O)C(C)(C)n2cc(-c3ccccn3)cn2)cc1 74387638 DIQXUZXMEPSAAL-UHFFFAOYSA-N 366.490 3.719 0 1 FHAF COc1cc(O)c(/C=C\C(C)(C)O)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2 71281856 UQJDHMKAJSKDGS-JJEJIETFSA-N 370.401 3.597 0 1 FHAF in-vitro O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1 71316565 ABBVAIMDGQMDHS-UHFFFAOYSA-N 374.444 3.680 0 1 FHAF in-vitro CC(C)N(CC[C@](CCn1cccc1)(C(N)=O)c1ccccc1F)C(C)C 40465002 KRSMJLSGOWXLML-QFIPXVFZSA-N 373.516 3.950 0 1 FHAF CN1CCN(c2nc(-c3cn(C)c4ccccc34)c3ccccc3n2)CC1 40394470 NAOLDYUSOSJTHJ-UHFFFAOYSA-N 357.461 3.540 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nccc4ccccc34)C2)cc1 142314877 OINMEOCEWVXBAA-HNNXBMFYSA-N 361.445 3.700 0 1 FHAF Cc1cc(N)nc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 224562578 FKPXYXJBYMSGRM-UHFFFAOYSA-N 366.400 3.605 0 1 FHAF O=C(Nc1ccccc1F)N1CCN(Cc2cnc3ccccc3c2)CC1 148517329 BOCLSHWPERCPTM-UHFFFAOYSA-N 364.424 3.724 0 1 FHAF COc1ccc([C@@H]2O[C@H](C3=C[C@H](OC)[C@@H](OC)C=C3)[C@@H](C)[C@@H]2C)cc1OC 238761826 KPICBHIDTSYCGW-CTOJWXPWSA-N 374.477 3.942 0 1 FHAF Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C 96283184 XSQDVJOFONQLSQ-UHFFFAOYSA-N 367.858 3.543 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(F)c1)[C@@H](C2)C3=O 587420987 JBIIOWWOZKGIKL-APPDUMDISA-N 350.292 3.924 0 1 FHAF Cc1cc(Cl)cc2nc(-c3nccnc3I)[nH]c12 587186874 XQFYKVDKCKBMNC-UHFFFAOYSA-N 370.581 3.586 0 1 FHAF Fc1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1 587039900 GMBPQSFZSCUVOE-UHFFFAOYSA-N 351.204 3.765 0 1 FHAF Cn1ncc(Br)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503217 NEKHAABYYASTMY-HNNXBMFYSA-N 361.239 3.768 0 1 FHAF COC(=O)c1cc2nc([C@H](N)[C@H](C)F)[nH]c2c(F)c1Nc1ccccc1 587125262 RYSDWALKPWBKIY-LKFCYVNXSA-N 360.364 3.590 0 1 FHAF COCc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587614808 UTIXFISIGCEKMQ-APWZRJJASA-N 369.398 3.698 0 1 FHAF CCOc1c(OC)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587443537 WDOXSLOXXDVGIZ-JLTOFOAXSA-N 370.401 3.600 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H]2CCCCN2)N1 587799835 ZAYVDTMPWADMKY-ZUCKAHLUSA-N 355.295 3.870 0 1 FHAF COC(=O)C(C)(C)C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587808491 OFFQYWJLGFAKJO-BXKDBHETSA-N 358.251 3.753 0 1 FHAF COc1ccc(C=O)c(-c2nc3cc(Br)ccc3[nH]2)c1OC 587786673 NUOVVFKEXCWWOZ-UHFFFAOYSA-N 361.195 3.822 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccnc(C(F)(F)F)n1 587871431 WXJIMGZFVLXTII-UHFFFAOYSA-N 352.291 3.886 0 1 FHAF CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc21 587505737 JNEMAEHBQMQMNI-JOCHJYFZSA-N 365.404 3.932 0 1 FHAF Cc1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1C 587774749 XIMHXBDQSMRMJI-CQLKUDPESA-N 364.262 3.927 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(N)cccc32)N1 587748398 WTMZXNFKRIRSOG-MGNBDDOMSA-N 361.258 3.894 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Cl)cc(C)c2[nH]1)C(C)C 586933945 ZUISNRCCHFJIAN-CQSZACIVSA-N 357.907 3.941 0 1 FHAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1N 587747538 LVPNUGLLNMGARV-XYZCENFISA-N 365.246 3.803 0 1 FHAF Cc1cc2c(cc1F)[C@](C)(c1ccc(SCC(=O)O)cc1F)NCC2 962303977 YTQJGDRQXQVFGF-IBGZPJMESA-N 363.429 3.859 0 1 FHAF O=C1C[C@]2(c3cc(O)ccc31)c1ccsc1CCN2Cc1ccco1 962711843 NHIJUGRZRBZXKO-HXUWFJFHSA-N 351.427 3.935 0 1 FHAF CCCCOc1ccccc1[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963525483 MWZUKICMFFTGPB-PXNSSMCTSA-N 355.434 3.568 0 1 FHAF COC(=O)c1cccc([C@@]2(C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1 962619831 HFMURLKTTRSFDT-PEBXRYMYSA-N 369.461 3.630 0 1 FHAF O=C(c1csc(-c2cccc(Cl)c2Cl)n1)N1C[C@H]2C[C@H]1CO2 1772580501 LXLLXPHYQFGUGL-DTWKUNHWSA-N 355.246 3.730 0 1 FHAF Cc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCNC2 208111601 DJRBBIRHKSLYKC-UHFFFAOYSA-N 369.472 3.987 0 1 FHAF COC(=O)CCCCCCC[C@H](OC)[C@@H](O)CCCCCCCCO 2356388468 GUOYDYSJXRSPQF-OALUTQOASA-N 360.535 3.989 0 1 FHAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@]1(C)CC[C@@]13C[C@H](CC[C@]12C)[C@](O)(CO)C3 2356441684 BADRGIKXWOSHML-UYUGCGKESA-N 364.526 3.988 0 1 FHAF CCOc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CC2)cc1 4935328 WXABHBPPPYKCID-UHFFFAOYSA-N 363.413 3.997 0 3 FHAF CC[C@@H](C)CN1CCN(c2cc(NC(=O)c3cccs3)ccn2)[C@@H](C)C1 58590116 SHPAVHNYNUXNEN-CVEARBPZSA-N 372.538 3.952 0 1 FHAF CN(C(=O)C(C)(C)C)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 101403205 XUVZILXTMHUZNS-RPVQJOFSSA-N 352.469 3.898 0 1 FHAF CCCOc1ccc(F)cc1-c1cc(C(=O)NCc2ccccc2)[nH]n1 61907918 JYMYBBVNBJXHTJ-UHFFFAOYSA-N 353.397 3.935 0 3 FHAF COc1ccc([C@H]2c3ccc4ccccc4c3O[C@@H]3NC(=O)NC(=N)[C@@H]32)cc1 64453382 MIDSAJAJOYYSFS-WFXMLNOXSA-N 373.412 3.605 0 1 FHAF CCCCCC=CCC[C@H](O)CCCCCCCC(=O)OC(CO)CO 2356694738 FHSDYFSJAFSCKH-IBGZPJMESA-N 372.546 3.891 0 1 FHAF CC1(C)C[C@H](O)C(C)(C)c2nc(-c3cccc(C(F)(F)F)c3)nnc21 27557256 KJFXHPUFUFPHTO-LBPRGKRZSA-N 351.372 3.877 0 1 FHAF CCCc1c(NC(=O)c2ccc(C(=O)O)cc2OC)ccc(C(C)=O)c1O 27881818 FTVCPHWGADMQOH-UHFFFAOYSA-N 371.389 3.506 0 1 FHAF COC(=O)[C@@H]1[C@H](c2ccc(Cl)c(Br)c2)C[C@@H]2CC[C@H]1N2C 36271788 CLDUXOXUODATIA-UOVKNHIHSA-N 372.690 3.842 0 1 FHAF Cc1cc([C@@]2(O)C(=O)Nc3ccc(-c4c(C)noc4C)cc32)ccc1F 219505025 QHWDBJZHCOWLMZ-FQEVSTJZSA-N 352.365 3.594 0 1 FHAF COc1ccc([C@H]2C3=C(COC3=O)Nc3ccc4cc(C)[nH]c4c32)c(F)c1 71297137 GROKLNQESBXTRY-QGZVFWFLSA-N 364.376 3.992 0 1 FHAF Cc1ccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)cc1 74379124 WGBCYPUACBDYMZ-CZUORRHYSA-N 358.800 3.663 0 3 FHAF C=CC[C@]12C[C@H](OC)C(=O)C(OC)=C1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 14856196 SSPDVRMNHFFRCE-URFUFWMJSA-N 372.417 3.531 0 1 FHAF biogenic O=C(Nc1ccccc1Cl)c1ccc2cc3n(c2c1)CCCNC3=O 73195803 AREDMWBKBLAWAL-UHFFFAOYSA-N 353.809 3.681 0 1 FHAF CCCCCN1CCC2(CC1)O[C@H](OC)Cc1c2cnn1-c1ccccc1 72116473 RMVFRQIWSFNEFP-NRFANRHFSA-N 369.509 3.899 0 1 FHAF Cc1ccc(Nc2cc(-c3ccccc3C)ncn2)cc1NS(C)(=O)=O 40875007 VHVHHHVCWYYSGD-UHFFFAOYSA-N 368.462 3.876 0 1 FHAF CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1Cl 45497894 ATFKUEIQKWUBJO-UHFFFAOYSA-N 374.828 3.536 0 1 FHAF O=C(CC1CC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21 95878624 MBJPQUOUDOTXDS-ZEYPLWLESA-N 362.473 3.830 0 1 FHAF C/C(=C\CCC1=CC(=O)O[C@H]1O)C[C@H](O)C[C@H](C)CCCc1ccoc1 140180053 NVFZWTRCRQELPN-LXJGBAHISA-N 362.466 3.908 0 1 FHAF COc1ccc2cc(OC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 95594364 MYMLHCJXCBVWJB-UHFFFAOYSA-N 365.429 3.845 0 1 FHAF Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175185 SAAYANRXFINIFL-KDOFPFPSSA-N 366.486 3.669 0 1 FHAF Clc1ccc(CN2CCO[C@H](COc3cccc(Cl)n3)C2)cc1 653721425 UFMUMDXPAMWLIC-HNNXBMFYSA-N 353.249 3.668 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(CO)c2)N1 587829977 ZPXRDJJJKTVCCW-ADLMAVQZSA-N 364.258 3.878 0 1 FHAF O[C@@H]1C[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)c2ccccc21 586904850 VZVHMJRYWVGXGS-MWLCHTKSSA-N 364.630 3.943 0 1 FHAF C=CC(=O)Nc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 587244377 PDMGNYSQBBTOHW-UHFFFAOYSA-N 361.174 3.651 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 586937895 GTQQPUTYKLOVAM-JTQLQIEISA-N 365.405 3.585 0 1 FHAF Cc1nsc(N)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587860121 ZYYBJIPQIWCHOT-ZIDLFYJRSA-N 370.291 3.733 0 1 FHAF COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC(F)F)c1 587421825 MBZXLOPJBXUXRA-ACJLOTCBSA-N 362.328 3.794 0 1 FHAF Clc1c[nH]c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)nc-2n1 587017409 LGDKDKKVCCDBDJ-UHFFFAOYSA-N 355.810 3.683 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Cl)O2 587380821 BCLAFUBVHNLNNQ-SNVBAGLBSA-N 359.735 3.689 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)cn2)N1 587706653 RMZZSWCWDFIUOA-JKYUHCHBSA-N 356.626 3.655 0 1 FHAF Cc1cc2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc2c(C)n1 587060431 FVVHIRVCKLOEOA-UHFFFAOYSA-N 350.813 3.765 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCCCC3)nc1)CC2=O 587474756 JJBDECFSEAISHT-LJQANCHMSA-N 367.449 3.832 0 1 FHAF COc1ccc(-c2ccc(-c3nc4c(N)ccnc4[nH]3)c(O)c2)cc1OC 587928028 WGEINUNGQVJHEE-UHFFFAOYSA-N 362.389 3.597 0 1 FHAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cn(C)nc3C)c2c1 587643699 WQCFZSDMTPYWAM-NSHDSACASA-N 353.422 3.741 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]1NC(=O)OC(C)(C)C)CC2=O 587471886 WJWIRFIFRUHRDN-OXJNMPFZSA-N 361.438 3.736 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc4ncnc(Cl)c4s1)[C@@H](C2)C3=O 587452880 OCLGVHHRBXDLRT-VFZGTOFNSA-N 358.806 3.842 0 1 FHAF COC(=O)c1[nH]c2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587397561 XEADZSMZKCJAAY-MRXNPFEDSA-N 350.374 3.552 0 1 FHAF CC(C)[C@@]1(c2nccn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578644 ROPONMVMPFIHAY-LAUBAEHRSA-N 364.401 3.639 0 1 FHAF COc1cc2c3c(c1)O[C@H](CCCC(=O)Cc1ccc(F)cc1)[C@@H](C2)C3=O 587427134 GYSOUQPKOGIRDY-RTBURBONSA-N 368.404 3.932 0 1 FHAF COc1cccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c12 587020539 UWNYYZSHLKINRU-UHFFFAOYSA-N 360.439 3.966 0 1 FHAF COc1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc(C(F)(F)F)c1 962896221 JIXRBKALVHKZKQ-GOEBONIOSA-N 369.314 3.541 0 1 FHAF CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)c3ccccn3)C2)c1 12203046 KGFSUDAWJFFURI-KRWDZBQOSA-N 352.434 3.604 0 3 FHAF O=c1[nH]c(CCCN2CC=C(c3cccc(F)c3)CC2)nc2ccccc12 13581581 WQLBTMAXIRLQJJ-UHFFFAOYSA-N 363.436 3.784 0 1 FHAF COc1ccc(CN[C@@H](c2ccc[nH]2)c2nnc(-c3ccccc3)o2)cc1 169307902 NJCVGYHUXRYVJG-IBGZPJMESA-N 360.417 3.953 0 1 FHAF CN(C)CCCSc1ncc([C@H](N=O)c2ccc(Cl)cc2)n1C 169720876 JHXPAJNFQLFMGR-OAHLLOKOSA-N 352.891 3.973 0 1 FHAF Cc1ccc(C)c(-n2cc(CN3CCc4c([nH]c5ccccc45)C3)nn2)c1 1857547972 SFWMBIAAYCRZBM-UHFFFAOYSA-N 357.461 3.924 0 1 FHAF Cc1nocc1C(=O)N=c1[nH]n(Cc2ccc(Cl)cc2)c2ccccc12 1857562970 PMXPISGSTCGUNZ-UHFFFAOYSA-N 366.808 3.709 0 1 FHAF CCC[C@H]1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21 1857656081 HNVGNPZHTCPRJL-GFCCVEGCSA-N 358.442 3.516 0 1 FHAF COc1ccc2c(c1)cc1n2C(C)(C)CN2C(=O)c3ccccc3N(C)[C@@H]12 222001949 NITNKZNCPQSCCM-HXUWFJFHSA-N 361.445 3.989 0 1 FHAF CCc1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1 13744781 KROTWTCKGRAKRI-UHFFFAOYSA-N 361.488 3.901 0 1 FHAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccccc1OCC 104116357 SFGQLZUSYGLWBF-GROYHEBESA-N 371.441 3.744 0 1 FHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc2ccccc2n1 101668370 PNHPSZLBKCQLRM-BDBAMQCISA-N 352.390 3.656 0 1 FHAF COc1cccc2nc(C[C@@H]3CN(CC(C)(C)C)CC[C@@H]3CC(=O)O)[nH]c12 2356305813 JCTVSULGUWMMCR-HUUCEWRRSA-N 373.497 3.573 0 1 FHAF NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)cc1NC1CC1 29047977 JYGBQSJWXUPETM-UHFFFAOYSA-N 359.429 3.823 0 1 FHAF C[C@]12c3[nH]c4ccccc4c3C[C@@H]1CC[C@]1(O)C3=CC(=O)O[C@H]3CC[C@@]21C 2356841212 NFTGNVPOAXTQOU-YALLRPEKSA-N 363.457 3.775 0 1 FHAF Cc1c(C)n(CC2OCCO2)c2c(OCc3ccc(F)cc3)nccc12 38208667 XTGAWEMSZJFLDH-UHFFFAOYSA-N 356.397 3.744 0 1 FHAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC[C@@H](c5ccn[nH]5)C4)c23)c1 210759178 UBMJBDJEXHOQAA-MRXNPFEDSA-N 369.432 3.604 0 1 FHAF Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2ccc(Cl)c(F)c2)n1 84687763 SEHUCEGUZVEGBO-UHFFFAOYSA-N 358.804 3.533 0 1 FHAF Cc1cc(Cl)cc2c([C@@H](O)c3ccnc(F)c3)c3c(C)n[nH]c3nc12 82155067 AVRCXDPCPXUSED-KRWDZBQOSA-N 356.788 3.997 0 1 FHAF COc1cccc(-c2cc(NCCc3ccc(OC)c(OC)c3)ncn2)c1 82161277 XDSBIQBOIXSMAY-UHFFFAOYSA-N 365.433 3.824 0 1 FHAF C[C@H](C(=O)NC(C)(C)C)n1c(-c2ccc3c(c2)OCO3)nc2ccccc21 95600672 SURPGYKJSADGBR-CYBMUJFWSA-N 365.433 3.908 0 3 FHAF CCN1c2ncc(CCc3ccc(O)cc3)cc2C(=O)N(C)c2cccnc21 95592452 AVTACUMKVITNMV-UHFFFAOYSA-N 374.444 3.715 0 1 FHAF C[C@H]1[C@H](C)CCCN1C(=O)c1csc(Nc2ccc3c(c2)OCO3)n1 96283038 OIKKWZUQICZOOT-NEPJUHHUSA-N 359.451 3.876 0 1 FHAF O=C(NCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2[nH]1 473136948 VPUIRNPMXUBXBD-UHFFFAOYSA-N 361.489 3.852 0 1 FHAF C[C@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 299848745 WQUYUZJNAIWNRJ-OEKOWELQSA-N 364.526 3.698 0 1 FHAF O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587607948 JELRGJBRBOYZSO-YLJYHZDGSA-N 362.337 3.793 0 1 FHAF COCCCOc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441790 MSHLQCMNZZAOIY-IIBYNOLFSA-N 354.402 3.599 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nccn3c2)N1 587774370 MTSGCPKZFXGKIH-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF CCCCN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582244 KVHDZCZKQFJTJK-IBGZPJMESA-N 367.445 3.989 0 1 FHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(C(F)(F)F)ncc2[nH]1 587174479 JOEQQWVHPPVFMM-NSHDSACASA-N 363.318 3.840 0 1 FHAF CSc1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1 586927920 ZOJYYGLCLIJOAU-UHFFFAOYSA-N 374.487 3.504 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C)c(OC)cc3[nH]2)cc1 586939111 NBFQXTSWSVOANO-ZDUSSCGKSA-N 373.478 3.624 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(N)c32)N1 587748430 XCKXXODJVMDJLN-YPMLDQLKSA-N 361.258 3.894 0 1 FHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 586974515 UYJOGJVDFPWUDW-SFHVURJKSA-N 365.462 3.550 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)NC(=O)CO3)CC2=O 587480663 FTFAIGRGFRUBCO-OAQYLSRUSA-N 367.401 3.556 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587231605 PLTIMLQFMKPMHM-HUUCEWRRSA-N 357.498 3.897 0 1 FHAF COC(=O)c1ccc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c[nH]c2c1 587395418 CMIYAEQGMVNFEQ-SFHVURJKSA-N 350.374 3.552 0 1 FHAF CC(C)COc1cc2nc(-c3c[nH]ccc3=N)[nH]c2cc1Br 587249526 NLGAWCNYFRVRRO-UHFFFAOYSA-N 361.243 3.835 0 1 FHAF COc1nc(N2CCCCC2)sc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587413902 RBGSWKYEVGJSSP-HNNXBMFYSA-N 373.478 3.739 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1nc[nH]n1)CC2=O 587465130 ANTCFPJTVGNXHM-HXUWFJFHSA-N 367.380 3.511 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)O)c2)N1 587824393 BNSFOARJCPRPSG-ABKXIKBNSA-N 364.214 3.910 0 1 FHAF Cc1sc(=N)[nH]c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587854784 UAJGZQHNEWEWBO-ZIDLFYJRSA-N 370.291 3.563 0 1 FHAF Cc1cc([C@]2(C)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(C)o1 962628814 FZCJJTKOPFHQBM-DYVFJYSZSA-N 369.339 3.657 0 1 FHAF O=C(Cc1c(F)c(F)c(F)c(F)c1F)OC12CC3C[C@@H](C1)C(=O)[C@H](C3)C2 13152653 OUPWONPHKPKUTB-RNOYOUQRSA-N 374.305 3.616 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccc(OC)cc1 17520063 RYJXPKMNUKSJHU-CQGUWYRNSA-N 359.422 3.897 0 1 FHAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CCCN(C)C 169315339 PSDDVCRRAFNWKI-QFWMQHCXSA-N 364.533 3.897 0 1 FHAF COc1cccnc1C1CCN([C@H]2CCCN(c3ccccn3)CC2)CC1 1857535930 HFRZVPRVDFLMIE-IBGZPJMESA-N 366.509 3.724 0 1 FHAF Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCN(C)C 22919263 RLPSFFYCOBWECS-UHFFFAOYSA-N 370.447 3.777 0 3 FHAF COc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)C2(Cl)Cl)cc1 66260237 PSAPNTGWNWUYRI-HNNXBMFYSA-N 352.217 3.966 0 1 FHAF COc1cc2nncc(-c3ccc(NCC(F)(F)F)nc3)c2cc1OC 73316745 UCJKDRQADVKUQZ-UHFFFAOYSA-N 364.327 3.683 0 1 FHAF CC(C)C1=N[C@](c2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N 95579674 JBCUFKPVMAMCAR-QFIPXVFZSA-N 355.445 3.813 0 1 FHAF COc1ccc(CNCCN2CCC(Cc3ccccc3)CC2)cc1OC 299859435 XOPJZLZGIBSYMY-UHFFFAOYSA-N 368.521 3.748 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(Br)c1F)O2 587384107 AIQDAAOFIJUEOW-GFCCVEGCSA-N 351.175 3.580 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3CC(C)(C)C3=O)c1)O2 587396259 REYMJBBSUOPYGF-JOCHJYFZSA-N 364.445 3.831 0 1 FHAF CC(C)(C)NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662147 VIGFGDSFVYBEHS-UHFFFAOYSA-N 355.438 3.724 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cnn1CCF)CC2=O 587466887 PXXWIFFJVMHADC-HNNXBMFYSA-N 352.793 3.871 0 1 FHAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1F 587151338 HIHOQLFQABAOGS-HOTGVXAUSA-N 369.415 3.944 0 1 FHAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C2CC2)n1 587582405 PHRSPBLKDHYCSC-LAUBAEHRSA-N 362.385 3.706 0 1 FHAF COCc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587775029 YDXJNVJFRXHNNL-BMLIUANNSA-N 365.246 3.753 0 1 FHAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1C 587339834 FSVLSPXPPAZZRT-PZJWPPBQSA-N 366.392 3.848 0 1 FHAF N[C@]1(c2nc3cc(Br)c(F)cc3[nH]2)C[C@H]1c1ccccc1F 587155203 IMMLQBZLWDJSDF-XXFAHNHDSA-N 364.193 3.945 0 1 FHAF COC(=O)C[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587803739 BVRDWRLPJHKSAV-QLJPJBMISA-N 358.251 3.537 0 1 FHAF Cc1nccc2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc12 587198442 KOXZUMWDAVACSG-UHFFFAOYSA-N 357.417 3.792 0 1 FHAF Fc1cc2c(c(Cc3nc4c(F)c(F)c(F)c(F)c4[nH]3)c1)OCOC2 587171717 RRRJFMBHHKVPFT-UHFFFAOYSA-N 356.250 3.716 0 1 FHAF O=C(Cc1nc2ccccc2n(-c2ccccc2)c1=O)c1ccc(F)cc1 13118258 SMRYKBKKEVJTPL-UHFFFAOYSA-N 358.372 3.950 0 1 FHAF CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](CC)C(=O)c1c(C)cc(C)cc1C 13137064 AUGICTWZDMWTJI-BPQIPLTHSA-N 374.477 3.952 0 1 FHAF CC(C)C[C@H]1CC(=O)[C@H](C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1 169727335 CBBQHZCZSZXBCN-AZUAARDMSA-N 370.493 3.793 0 1 FHAF N=c1[nH][nH]c(=NCc2c(Cl)cccc2Oc2cccc3ccccc23)[nH]1 1857573246 QAWFHNZRRCAPTH-UHFFFAOYSA-N 365.824 3.850 0 1 FHAF COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)nc(NC#N)n2)cc1 1617712 GRNKLGZNLZLSSI-UHFFFAOYSA-N 373.416 3.914 0 1 FHAF CC1CCC(NC(=O)[C@]2(C)CCC(=O)N2Cc2ccccc2Cl)CC1 2933215 JVPVLLGIEFIDAN-SGHGTVFPSA-N 362.901 3.916 0 1 FHAF O=C1CCN([C@@H]2CCCC[C@H]2OCCc2ccc(Br)cc2)C1 28653826 RNDNIQNUGSEVPR-QZTJIDSGSA-N 366.299 3.594 0 1 FHAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccccc1Cl 101559556 VNHUSQSYRXNIKP-IDTYTIONSA-N 361.833 3.998 0 1 FHAF N=C(N)CCCC[C@@H]1C(=O)O[C@H]2Cc3ccc(-c4ccc(O)cc4)cc3[C@@H]21 27517224 SPTBONQCVLNHFD-CUWPLCDZSA-N 364.445 3.737 0 1 FHAF CC(C)Cn1cc2c(n1)Nc1ccc(Cl)cc1N=C2N1CCN(C)CC1 26573669 MGVUFBYZICTODX-UHFFFAOYSA-N 372.904 3.575 0 1 FHAF COc1ccc(C)n2nc(/C=C/c3nc(-c4cccs4)cn3C)nc12 117870038 FTUKRNOFBYRHCE-CMDGGOBGSA-N 351.435 3.679 0 1 FHAF Cc1nc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)cs1 64549724 BEBHQWLIHVJACK-UHFFFAOYSA-N 352.419 3.759 0 1 FHAF C[C@H]1[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C2)CN1C 2356691358 GYABRMDCDGXMRC-LIZQDHKBSA-N 372.597 3.780 0 1 FHAF C[C@]1(CCOS(=O)(=O)O)CC[C@@H]2C(=CC[C@@H]3[C@](C)(O)CCC[C@]23C)C1 2356719958 MGAAHPXIGWJLPX-RHQZKXFESA-N 372.527 3.890 0 1 FHAF C=CC1=C(C(=O)NCCc2cccc(F)c2)[C@H](c2ccc(F)cc2)OC1 73224199 DGBBOFZPEPLOJK-FQEVSTJZSA-N 355.384 3.878 0 1 FHAF O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)[C@@H]1CC1(F)F 146982307 KEXGXGBRSMTTRI-NSHDSACASA-N 353.332 3.700 0 1 FHAF Cc1cccc(CCc2cc(=O)n3c(c2C(C)C)SC[C@H]3C(=O)O)c1 84706057 RQDCXUQJYWCVAF-INIZCTEOSA-N 357.475 3.797 0 1 FHAF Cc1nc2cccnc2n2c(-c3cc(C(C)(C)O)ccc3Cl)nnc12 145740092 VNAHGGYAMRXGJO-UHFFFAOYSA-N 353.813 3.529 0 1 FHAF O=C1CSC(N2N=C(c3ccccc3)C[C@H]2c2c(F)cccc2F)=N1 98084917 OPJJIZQEKJZUKJ-HNNXBMFYSA-N 357.385 3.745 0 1 FHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc3c(c2)CCO3)n1 142056583 FGMMRCUVIYNYLM-XJKSGUPXSA-N 368.437 3.566 0 1 FHAF CCC(=O)N(C)c1cc(C(=O)N[C@@H](C)COC)cc(-c2ccc(C)cc2)c1 142627317 IGDVZRHWLVZELA-INIZCTEOSA-N 368.477 3.800 0 1 FHAF Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC2CC2)cn1 143239547 NWMXUWGTUPIHCX-UHFFFAOYSA-N 367.380 3.655 0 1 FHAF COC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(Br)cc12 96273881 ASOIVLPBYNWHKU-UHFFFAOYSA-N 373.206 3.582 0 1 FHAF COC(=O)[C@@]1(C)CCC[C@@]23C(=O)O[C@H]4c5occc5[C@H](C)[C@H](CC[C@@H]12)[C@H]43 238770461 WWIJLRGEJWUHJF-NMRRPLHHSA-N 358.434 3.987 0 1 FHAF Cc1c[nH]c2ncc(-c3cc([C@H]4CCN(C5COC5)C4)n(C(C)C)n3)cc12 148085860 BXVSJWLYBXAHOZ-HNNXBMFYSA-N 365.481 3.504 0 1 FHAF C[C@H]1c2c(cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@@H]1C(C)(C)O 238751037 WZXFBJOAXYOUSH-FVINQWEUSA-N 368.385 3.507 0 1 FHAF COc1ccc(-c2cc(CNC(=O)Nc3ccccc3)on2)cc1OC 621431169 WKJWWLDFFBWEIA-UHFFFAOYSA-N 353.378 3.681 0 1 FHAF CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4C[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 377474332 LZFGLWWNBKSJRY-CYGZGYCASA-N 359.514 3.699 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 586916189 KXNFTVDPUWGNRD-ZUOKHONESA-N 368.364 3.617 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1cn(CC)nc1C)(C(F)F)CC2=O 587467935 VOFIJAZPSWVYJG-LJQANCHMSA-N 364.392 3.995 0 1 FHAF O=C(CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)Nc1cccc(F)c1 587162724 KZSBNISBBXJPFZ-UHFFFAOYSA-N 367.359 3.598 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(C=COc3cc(C(=O)O)ccc31)CC2=O 587491846 QFMWGYPSECYDHK-OAQYLSRUSA-N 366.369 3.810 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3ccc(Br)nc3[nH]2)c1C 587239523 RCESXGQCNIFTAV-UHFFFAOYSA-N 359.227 3.518 0 1 FHAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(F)c(Br)c2[nH]1 587094251 OBHOULMPQXXWQX-YFKPBYRVSA-N 368.128 3.594 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc3ccccn23)N1 587767340 AKMHHPTWZTXYMW-QLJPJBMISA-N 360.230 3.860 0 1 FHAF COC(=O)c1ccnc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587075727 JPMBUXVLFKZUDJ-OAHLLOKOSA-N 370.840 3.735 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccn(CC(F)(F)F)n1)CC2=O 587461489 MVGAMNXFQKSDOS-OAHLLOKOSA-N 354.328 3.810 0 1 FHAF CCOC(=O)Cc1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1 587115650 UMWDLMYYWKHFKT-UHFFFAOYSA-N 351.328 3.693 0 1 FHAF CCCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597828 SAEMDSPUWGLNLM-RXVVDRJESA-N 370.401 3.846 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(O)c1 587554031 CKSFQVGKHGJCFB-PXNSSMCTSA-N 352.317 3.940 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C(=O)O)[C@H](C)C2)N1 587827732 QHTKDTZYQZYORF-LSGKAKCFSA-N 370.262 3.839 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCC1CCOCC1 587609595 OEHOACACQSKLAA-IEBWSBKVSA-N 354.402 3.929 0 1 FHAF CCOC(=O)C(F)(F)[C@H]1CCC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587383280 VMEWJDDYESDAMX-KPZWWZAWSA-N 367.392 3.670 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCN(C)CC2)N1 587764898 AIAUNDWEQPSEHD-PIGZYNQJSA-N 355.295 3.679 0 1 FHAF O=C1COc2cc3[nH]c(C4CC(F)(c5cccc(F)c5)C4)nc3cc2N1 587131443 IJBWJZUWKFEMNX-UHFFFAOYSA-N 355.344 3.775 0 1 FHAF O=C(O)C[C@@]1(c2ccc(O)cc2)NCCc2cc(-c3ccccc3)ccc21 962667953 NJKOVYQVWXEZRI-QHCPKHFHSA-N 359.425 3.923 0 1 FHAF CCn1ccnc1[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962960362 TXDNYDIEWCCZRM-MRXNPFEDSA-N 365.399 3.663 0 1 FHAF CCCn1c(=O)c2[nH]c(/C=C/c3cccc(Cl)c3)nc2n(CCC)c1=O 13827003 NLKAWGYDEDANHI-CMDGGOBGSA-N 372.856 3.530 0 1 FHAF CCSC(=O)n1cc([C@@H](C)[C@H]2SC(NC)=NC2=O)c2ccccc21 169319780 PNFVJHQIOBGSDD-QMTHXVAHSA-N 361.492 3.683 0 1 FHAF O=C(OCCCF)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)N2 169347805 GBXCFQBRUJWAGV-FZKCQIBNSA-N 370.262 3.576 0 1 FHAF Cc1ccccc1CN1CCCC[C@H](NC(=O)Nc2ccccc2)C1=O 200051566 IIUMIJPMAPSRBB-IBGZPJMESA-N 351.450 3.698 0 3 FHAF O=C(/C=C/c1cccnc1)NCc1ccc(C(=O)Nc2ccccc2)cc1 1857586329 DNBOBCWECABFNV-JLHYYAGUSA-N 357.413 3.664 0 1 FHAF Cc1ccc(-n2nnc(C(=O)Nc3ccc4ccccc4n3)c2C)c(C)c1 1857587502 JRDWPYLTIIGYGG-UHFFFAOYSA-N 357.417 3.993 0 1 FHAF CN(C)CCN=c1[nH]c(/C=C/c2ccc(F)c(F)c2)nc2ccc(F)cc12 1857616235 CUQHAIGMIJJZRX-XBXARRHUSA-N 372.394 3.613 0 1 FHAF CCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](CC)C2 1857650589 WOSXDWDYANCLKF-CQSZACIVSA-N 371.433 3.908 0 1 FHAF COc1ccc2c(c1)CN[C@@H](C(=O)N[C@H](CC1CCCCC1)C(C)C)C2 1857748214 JBVDDVPBOZJGAX-NHCUHLMSSA-N 358.526 3.821 0 1 FHAF O=C(c1ccc(Cl)cc1)N1CC[C@@H]2COC(=O)N2c2ccccc2C1 2356291507 WKIPJBYODIBWFP-MRXNPFEDSA-N 356.809 3.711 0 1 FHAF COc1ccc(-c2c(C)[nH]n3c(=O)c(Cc4ccccc4)c(C)nc23)cc1 103686773 NJQNXLIZJJJKQY-UHFFFAOYSA-N 359.429 3.906 0 3 FHAF CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)/C=C/c1ccccc1 29239010 YGWVRXNMSNCONR-JKPJFWMQSA-N 373.537 3.923 0 1 FHAF CCCN1C[C@H](C(=O)N(CC)CC)C=C2c3cccc4[nH]cc(c34)C[C@H]21 28254030 HZKYLVLOBYNKKM-OXQOHEQNSA-N 351.494 3.686 0 1 FHAF CC1(C)[C@H]2CC[C@]1(C)[C@@](C)(NC(=O)[C@@H]1CC(=O)N(C3CCCCC3)C1)C2 35015272 UCFMNAYGTGRZRO-AERDPVEMSA-N 360.542 3.889 0 1 FHAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1 43204919 PYUCVLVRHYGSER-YLJYHZDGSA-N 356.514 3.767 0 1 FHAF COc1cccc(-c2csc(N3CCC[C@H]3C(=O)NCC(C)C)n2)c1 82197833 YGKROPYKKLVPTJ-KRWDZBQOSA-N 359.495 3.560 0 1 FHAF CN(c1ccccc1)c1nnc([C@@H](O)c2cc(F)c(F)c(F)c2)s1 82078817 IODQEHVOUVNROE-AWEZNQCLSA-N 351.353 3.805 0 1 FHAF Cc1ccccc1N1CCN(Cc2cc(Cl)ccc2Cl)C(=O)C1=O 95565873 GYEUCARFXXDQLH-UHFFFAOYSA-N 363.244 3.677 0 1 FHAF OCCCn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144848292 IDFBQXAXJJLKGG-IBGZPJMESA-N 374.362 3.711 0 1 FHAF CCCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 299831098 IBZIBZBBQICSTR-UHFFFAOYSA-N 361.463 3.991 0 1 FHAF COc1ncc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587401 MQXOFRVYORJZGK-FXAWDEMLSA-N 363.369 3.807 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N1CCOCC1)CC2=O 587477360 XPFMIWZMNOWHEO-OAQYLSRUSA-N 367.445 3.888 0 1 FHAF CCOC(=O)[C@@H]1C[C@@H](C(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587398680 GHEIRQXXQOLUNN-HTZUNMPGSA-N 359.466 3.917 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)OCO3)N1 587835886 REPGCZRKPXUTIP-VVVCHXIZSA-N 364.214 3.941 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ncccn3)s1)CC2=O 587494398 JVCRWWYWKKHALP-HNNXBMFYSA-N 367.430 3.965 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1NC(=O)C(C)(C)C)O2 587392363 YFTBRUIMADAKGS-MRXNPFEDSA-N 353.422 3.663 0 1 FHAF CCc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587587105 FQCBVSBCSOTSKB-OXJNMPFZSA-N 350.374 3.689 0 1 FHAF CCCCOC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349068 PERTVXMKQWLJSA-NQIIRXRSSA-N 372.392 3.992 0 1 FHAF CCCCCc1[nH]c2c(C)cc(Cl)cc2c1C(=O)N[C@H]1CCOC1=O 587626746 HWHQLUCNKNGPET-HNNXBMFYSA-N 362.857 3.908 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 587042212 JVUSBSKALSMDRC-QMMMGPOBSA-N 359.282 3.885 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1OCO2 587606835 FEKLWYUBZPSMRC-UTKZUKDTSA-N 362.337 3.824 0 1 FHAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)c(F)cc2[nH]1 587239997 PRAYCVFQIWNZGG-UHFFFAOYSA-N 363.190 3.931 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(F)c1O)O2 587382596 SLWWLATWPNZNTQ-AWEZNQCLSA-N 366.186 3.891 0 1 FHAF N[C@@H](Cc1nc2cc(Br)ncc2[nH]1)c1ccccc1Cl 587056116 HHNPYDCBHDBPPB-JTQLQIEISA-N 351.635 3.616 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(F)(F)F)N1 587707769 WTZKHXLPBPJHPS-CPFSXVBKSA-N 368.168 3.859 0 1 FHAF O=C1Nc2c(ccc(F)c2F)[C@]12NCCc1cccc(-c3ccccc3)c12 962666503 MTCHYXARLXBYCJ-JOCHJYFZSA-N 362.379 3.973 0 1 FHAF CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 169719086 ZCTPSJJOCXZCLU-UHFFFAOYSA-N 367.376 3.534 0 1 FHAF COc1ccc2c(c1)cc1n2C(C)(C)CN2C(=O)c3ccccc3N(C)[C@H]12 222001879 NITNKZNCPQSCCM-FQEVSTJZSA-N 361.445 3.989 0 1 FHAF CCc1c(Oc2cc(C)cc(C)c2)n(Cc2ccccc2)c(=O)[nH]c1=O 6424908 ZWJSLQFRQYUQIA-UHFFFAOYSA-N 350.418 3.556 0 1 FHAF Cc1ccc(CCNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1 8619152 WFHUYJRYCNMMLJ-UHFFFAOYSA-N 370.474 3.788 0 1 FHAF C(=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2cncnc2)cc1)\c1ccccc1 100107464 QXVUMLGWHZMTLM-LYOMJNFHSA-N 368.484 3.587 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C/C=C/C[18F] 102143587 LMVDJMCDHZLBFE-PNMOZHTDSA-N 350.852 3.975 0 1 FHAF COc1cc(-c2cnc3c(NC(=O)NC(C)(C)C)ccnc3c2)ccc1O 117566814 BMYVBFWCLHRHTH-UHFFFAOYSA-N 366.421 3.931 0 1 FHAF C[C@H](C1=CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C 2356613246 FCLIIFLKCAQTGH-SWHLIPTISA-N 361.570 3.847 0 1 FHAF CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)c2ccccn2)C=C1C 2356698870 RGDZDCVZTZTQID-KSZLIROESA-N 358.482 3.619 0 1 FHAF O=c1cc(Cn2c(C3CCC3)nc3ccncc32)c2ccc(F)c(F)c2[nH]1 72108962 FBRPJCVCHQIIDC-UHFFFAOYSA-N 366.371 3.867 0 1 FHAF O=C(N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)O)c1ccc2ccccc2c1 49073122 JGAATFACQPEKMB-QGZVFWFLSA-N 373.330 3.683 0 1 FHAF CCOC(C(=O)OC[C@H]1CCCN(C)C1)(c1ccccc1)c1ccccc1 45231111 XATPSNKTMXPJNE-IBGZPJMESA-N 367.489 3.852 0 1 FHAF C[C@@]1(c2ccccc2)CCCN(C(=O)NCCc2ccc3nc[nH]c3c2)C1 49014063 GMTQAOXNCHJFPF-JOCHJYFZSA-N 362.477 3.869 0 1 FHAF O=C(c1cnc(N2CCCC2)nc1-c1ccc(F)cc1)N1CCCCC1 82140713 GDMUASKBEXKLTN-UHFFFAOYSA-N 354.429 3.509 0 1 FHAF COc1ccccc1CCNc1cncc(Oc2ccccc2OC)n1 82068548 CQCJXILKBFBFEH-UHFFFAOYSA-N 351.406 3.941 0 1 FHAF Cc1[nH]nc2c1[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587792946 IXOYBMKYNYGKGA-VVVCHXIZSA-N 364.262 3.734 0 1 FHAF C[C@]1([C@@H]2CCCCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343458 CEAWDDSOOMZTSU-IRFCIJBXSA-N 355.409 3.791 0 1 FHAF COC(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355402 XPOFMCNHJPJLSA-CDXJDZJCSA-N 370.376 3.602 0 1 FHAF Fc1ccc(-n2nnc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2C2CC2)cc1 587168920 SHFPDFOFTITGBU-UHFFFAOYSA-N 359.368 3.703 0 1 FHAF CC[C@H](C(=O)OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348572 HAVGKNFWFQSUNH-MMOPVJDHSA-N 372.392 3.848 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1O 587611888 UMNQYMUROWIOLH-XLIONFOSSA-N 350.326 3.506 0 1 FHAF O=C(CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(F)cc1 587162836 LZFKIPGFOBKDJL-UHFFFAOYSA-N 372.709 3.931 0 1 FHAF CN(C)c1ncccc1-c1nc2c(F)c(F)c(Br)cc2[nH]1 587195939 PIYKILKCWFWJBQ-UHFFFAOYSA-N 353.170 3.732 0 1 FHAF COc1cc(C)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C 587941237 SYRLVFVZDKEYDY-CQSZACIVSA-N 353.260 3.576 0 1 FHAF Cc1c(Br)cnc2[nH]c(C[C@@H](N)c3ccccc3Cl)nc12 587058355 UIDOGAWEZKBBDC-GFCCVEGCSA-N 365.662 3.925 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CCN(C)CC2)N1 587764961 AVLLRYCEODOVLM-ABAIWWIYSA-N 355.295 3.895 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(CCc3ccccc3)CC1)O2 587396530 UGNNFYZLPFNWCM-UHFFFAOYSA-N 350.462 3.620 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC2(C(=O)O)CCC2)N1 587829053 VSSZHWYRVZPKPV-QFYYESIMSA-N 370.262 3.983 0 1 FHAF COc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1F 587123535 IXAFOXAILOVHLD-UHLUBPPHSA-N 369.322 3.882 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)cnc2[nH]1)C[C@H]1CCCO1 587197437 OWJNTJXBTJWCCZ-GFCCVEGCSA-N 366.849 3.527 0 1 FHAF CCOc1ccc([C@@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509754 ITDMUJSAHRFCON-QFIPXVFZSA-N 351.446 3.784 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CC3(CC(NC(=O)OC(C)(C)C)C3)C1)O2 587388877 HMOQANOKRFVXRN-UHFFFAOYSA-N 372.465 3.749 0 1 FHAF CCOC(=O)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349642 QISVULRIWVTIJZ-RXVVDRJESA-N 370.376 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1NC(=O)OC(C)(C)C)O2 587391535 UZCYBLNSMBUGPH-UZLBHIALSA-N 360.454 3.749 0 1 FHAF CCOC(=O)c1c(N)sc([C@]2(C)NCCc3cc(Cl)ccc32)c1C 963381272 TUHCBVNQSITSSP-GOSISDBHSA-N 364.898 3.878 0 1 FHAF Fc1ccc(CN[C@H]2CC[C@@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772609931 DRVCINFCPHBBNF-FZNQNYSPSA-N 364.428 3.561 0 1 FHAF CCOC(=O)[C@H]1CCCN(CCOc2ccc(Cc3ccccc3)cc2)C1 13860531 GNYPVAHJFKKBSG-NRFANRHFSA-N 367.489 3.931 0 1 FHAF COc1ccc([C@H](O)CCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1 1857629290 VVENAQLZXHGALL-HXUWFJFHSA-N 371.477 3.503 0 1 FHAF COc1ccc(-c2cc(Cn3cc(-c4ccccc4)nn3)on2)cc1OC 1857651757 BGHLKVOLWIWWOL-UHFFFAOYSA-N 362.389 3.666 0 1 FHAF Cc1ccccc1-n1c(CC(=O)c2ccncc2)nc2ccccc2c1=O 1848972 YEQWDEPCZZKAGH-UHFFFAOYSA-N 355.397 3.515 0 1 FHAF C[C@H]1C[C@@H](C)C[C@@H]2C(=O)[C@H](C)[C@H]3[C@H](C(=O)O[C@@H]([C@@H](C)O)[C@@H](C)C[C@H]3C)[C@H]12 2356436590 RKGOMGDMTKLFLM-RGEYSIFYSA-N 364.526 3.705 0 1 FHAF COC(=O)CCCCCCC[C@H](O)[C@H](CCCCCCCCO)OC 2356406128 NUFKGRYSSIJFND-OALUTQOASA-N 360.535 3.989 0 1 FHAF Brc1cccc(CCO[C@H]2CCCC[C@@H]2N2CCOCC2)c1 114824810 PJWYGBZUVBVWTP-ROUUACIJSA-N 368.315 3.652 0 1 FHAF CC(C)(CO)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2[nH]ncc12 28972920 YZZVNCQNKVSHRD-GOSISDBHSA-N 364.449 3.642 0 1 FHAF COC(=O)C[C@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)[C@H](O)C[C@]12C 2356781371 BAZOEJHKVVCKQS-RZHAUDGPSA-N 350.499 3.914 0 1 FHAF COc1ccc2c(c1)-c1nc3cc(OC)c(OC)c4c3c(c1CC2)CCN4 28090246 AFRYILRAJXKFAM-UHFFFAOYSA-N 362.429 3.994 0 1 FHAF CCCCCC[C@@H](C[C@H](O)CCc1ccc(O)c(OC)c1)OC(C)=O 15257027 SNEXTXLRTJGYIH-MSOLQXFVSA-N 352.471 3.987 0 1 FHAF biogenic COc1ccc(C(=O)CSc2cnnn2-c2cccc(C)c2)cc1OC 49111753 LFJOIWVWMYOMKO-UHFFFAOYSA-N 369.446 3.568 0 1 FHAF C[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)C(C)(C)C 40873803 YADKUHZCQOQZFM-JTQLQIEISA-N 363.487 3.536 0 1 FHAF Cc1c(CCNC(=O)CCCN2C[C@H](C)C[C@@H](C)C2)c2ccccc2n1C 45228157 QUUGHTNWRRZCIE-QZTJIDSGSA-N 369.553 3.904 0 1 FHAF Cc1nc(-c2ccc[n+](Cc3ccccc3)c2)n2c1c(O)nc1ccccc12 96911154 YMMDLBVILMMCQD-UHFFFAOYSA-O 367.432 3.899 0 1 FHAF CC(C)[C@]1(O)CC[C@]2(C)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)c3ccccc3)[C@H]21 38986974 KCLKOOIYAAERJD-RSBIIAMVSA-N 358.478 3.967 0 1 FHAF biogenic O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](N1CCOCC1)C3 587108080 YCQAWGUDFOXJFA-HNNXBMFYSA-N 370.452 3.636 0 1 FHAF CC(C)n1cncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587756596 SIOMNJDEEJVUDN-HWPZZCPQSA-N 352.251 3.989 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)cc1F)CC2=O 587466416 LKYALPVWGRLXMV-GOSISDBHSA-N 358.365 3.977 0 1 FHAF O=[S@](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)CC1CC1 586960119 SIXLLXGZNLRRIM-QFIPXVFZSA-N 352.765 3.774 0 1 FHAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccc(O)c3[nH]2)c1 587203292 KNMKTZCBRWDDCZ-UHFFFAOYSA-N 352.394 3.786 0 1 FHAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587168802 MZNZNHPXCSYLFQ-CQSZACIVSA-N 355.413 3.674 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587081134 SZJRFQHFLVBKCD-MRXNPFEDSA-N 362.838 3.686 0 1 FHAF Cc1ccc(-c2nnc(SCc3nc4c(C)nccc4[nH]3)n2C)cc1 586965772 QLKHWLYYULOZHD-UHFFFAOYSA-N 350.451 3.663 0 1 FHAF O=C(c1cccc(N2C(=O)C=CC2=O)c1)c1coc2ccc(Cl)cc12 587278741 SKCAANWLBVPIPN-UHFFFAOYSA-N 351.745 3.747 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1COc3ccccc3O1)CC2=O 587482287 DPSLKJNVJDNLPQ-CTNGQTDRSA-N 354.402 3.909 0 1 FHAF COC(=O)Cc1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526923 SXMANEPNKOCECZ-FQEVSTJZSA-N 366.413 3.693 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCCC1OCCO1 587605777 AUQVSWCHTBNPEP-APWZRJJASA-N 370.401 3.656 0 1 FHAF C[C@@H]1C[C@@]2(CCN1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349409 YRUBALQHOVDDLH-YIILKADPSA-N 355.409 3.743 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc(F)c2)N1 587740070 WACORJZOAGZVQX-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF Cc1n[nH]c(C)c1C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587802898 ODXLYCMCEMYHJF-XYZCENFISA-N 366.278 3.920 0 1 FHAF O=C1C[C@H](c2cnn3ccc(Cl)nc23)Oc2c1ccc1c2CCCC1 587502073 SQAJIZIQJXDNNE-MRXNPFEDSA-N 353.809 3.968 0 1 FHAF C[C@@]1(c2cccnc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340935 XBQZWFUPTYDALM-NQIIRXRSSA-N 364.376 3.783 0 1 FHAF Cc1cc2c(cc1F)[C@@](c1cc(F)cc(F)c1)(c1cccnc1N)NCC2 962379969 WMAKPLFGMGNJGT-OAQYLSRUSA-N 369.390 3.827 0 1 FHAF CCCS(=O)(=O)c1cccc([C@@H]2N[C@H]3CC[C@@H]3c3ccc(OC)cc32)c1 962998990 XJRDMOBLDAQQJF-GIVPXCGWSA-N 371.502 3.818 0 1 FHAF O=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(C(F)(F)F)cc1 149216456 RDNIJWQUASKSAM-UHFFFAOYSA-N 364.371 3.823 0 1 FHAF N=c1c2c([nH]c3ccc(Br)cc13)C[C@H](C(F)(F)F)CC2=O 1772652637 DNBBCDMFLYCVDB-LURJTMIESA-N 359.145 3.717 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)N[C@H]3CCC[C@@H]3c3ccccc3)ncc12 1772589809 UYUAJOOGROYKAK-ZBFHGGJFSA-N 364.453 3.848 0 1 FHAF Cc1c(C(=O)N2CCC(N3CCSCC3)CC2)oc2c(F)cccc12 12705279 HVSGINFZYYBWIM-UHFFFAOYSA-N 362.470 3.534 0 3 FHAF CCN(CC)C1=NS(=O)(=O)C(c2ccccc2)=C1c1ccc(OC)cc1 13648819 VADYYHGPIBAESH-UHFFFAOYSA-N 370.474 3.647 0 1 FHAF O=C(c1ccc(Cl)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 13832020 SBJQLCPBPIRNBV-UHFFFAOYSA-N 368.864 3.924 0 1 FHAF Cc1cccc(Cl)c1Nc1nc2cc(C(N)=O)ccc2n2cncc12 13860315 GXAFJIDQFLYLDD-UHFFFAOYSA-N 351.797 3.687 0 1 FHAF S=C1c2cc(Cl)ccc2N=C(NC2CCCC2)[C@@H]2CSCN12 18114315 FVAPDYGZWZZXLM-AWEZNQCLSA-N 351.928 3.966 0 1 FHAF c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1 100803086 OUUMPVSFLSOGJZ-BGYRXZFFSA-N 365.525 3.660 0 1 FHAF O=C(N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1)N1CCCC1 1857548190 HTLXYBUCLBSMJZ-XGAFWQRZSA-N 355.526 3.799 0 1 FHAF C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)C1CCCCC1 1857607855 OHOBMHFMBUQBLU-OAHLLOKOSA-N 369.513 3.799 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N(C)C 4310707 ORYLIFNHKKKWHK-MOPGFXCFSA-N 362.470 3.806 0 1 FHAF COc1ccc2cc3cc(C(=O)N4CCC(C(=N)O)CC4)sc3nc2c1 8662189 ITWUSLVDRJSSHA-UHFFFAOYSA-N 369.446 3.846 0 1 FHAF C[C@@]12CC[C@@H]3[C@@](CC[C@@H]1C1=CC(=O)OC1)(CC[C@@H]1C[C@H](O)CC[C@@]31C)C2=O 2356446051 WLKITKZNBMSWFH-BTBKJPGASA-N 372.505 3.813 0 1 FHAF COc1cccc([C@H]2CC[C@H](N3CCN(c4ccccn4)CC3)CC2)c1 100085673 SHEZXZSIBXLQMP-PUZFROQSSA-N 351.494 3.939 0 1 FHAF CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCOCC4)c3c2C)cc1 28569356 ZSAQMAKMLFBFSZ-UHFFFAOYSA-N 366.465 3.581 0 1 FHAF O=C(NC1CCCCC1)NC1CCN(CCc2c[nH]c3ccccc23)CC1 27983523 SFYQBTRKPAEGMU-UHFFFAOYSA-N 368.525 3.807 0 1 FHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](C(=O)O)[C@]2(C)O 2356810553 AYRBKDVFDHNFQF-ZUTBWFKHSA-N 352.471 3.712 0 1 FHAF C[C@H](/N=c1\c(O)c(O)\c1=N/Cc1ccc(Cl)cc1Cl)C(C)(C)C 28227426 NCGUEFGGIHEKQJ-YLORCUDVSA-N 355.265 3.716 0 1 FHAF Cc1ccc(C(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 74379136 WGBCYPUACBDYMZ-BBRMVZONSA-N 358.800 3.663 0 3 FHAF C=CC(=O)Nc1ccccc1Nc1nc(NC2CCOCC2)ncc1Cl 219249839 JXDQJNOCFPWRNA-UHFFFAOYSA-N 373.844 3.589 0 1 FHAF C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccccc1 42923081 HBWJRNJXHBRNHU-NVXWUHKLSA-N 358.869 3.893 0 1 FHAF COc1ccc(-c2cncn2-c2cc(OC)c(OC)c(OC)c2)cc1F 40762520 FAISKABSGVBZCD-UHFFFAOYSA-N 358.369 3.713 0 1 FHAF C[C@H](N[C@H](C(=O)O)C(F)(F)C(=O)c1ccc(Cl)cc1)c1ccccc1 84615708 XKNRRUKTLCKGED-XHDPSFHLSA-N 367.779 3.962 0 1 FHAF COc1cc(O)c(CCC(C)(C)O)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2 145405293 JQWULGFGOLVSDP-KRWDZBQOSA-N 372.417 3.516 0 1 FHAF in-vitro COC(=O)Cc1cn(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 95584343 VMNSCKCPRFVPFS-UHFFFAOYSA-N 357.793 3.707 0 1 FHAF C[C@H](O)c1cccc(-n2ncc3c(NCCc4ccccc4)ncnc32)c1 621477294 AQVMTYCGGKFYCW-HNNXBMFYSA-N 359.433 3.523 0 1 FHAF COC(=O)c1ccc(Oc2ccc3nc(-c4csc(O)n4)[nH]c3c2)cc1 587016636 DNZYWRLMYJJNBI-UHFFFAOYSA-N 367.386 3.971 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(SC)cc2[nH]1)C(C)C 586932855 JYJRORUHMRSEQA-OAHLLOKOSA-N 355.529 3.701 0 1 FHAF O=C(NCc1nc2c(Cl)ccnc2[nH]1)c1cccc(C(F)(F)F)c1 587112227 RAZMRJOWBJKTNT-UHFFFAOYSA-N 354.719 3.560 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(C)c1-n1cccn1)[C@@H](C2)C3=O 587432534 QFQGHDQHXOWNIM-JTSKRJEESA-N 360.413 3.986 0 1 FHAF Nc1cc(Cl)ncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551694 IOXWQPSXAHVDOQ-LPHOPBHVSA-N 368.776 3.726 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c1ccc(Cl)c2Cl 587380192 QOXRABDVBHIEDD-KRWDZBQOSA-N 363.200 3.697 0 1 FHAF O[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C1CCOCC1 586913530 MXLWWOJOURRUIB-LBPRGKRZSA-N 350.724 3.575 0 1 FHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(F)c(F)cc3[nH]2)cc1 587245641 WCXAFJDZPAXZJJ-UHFFFAOYSA-N 368.343 3.981 0 1 FHAF COc1cccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 587018916 CLUWHVIEVKJIOQ-UHFFFAOYSA-N 370.459 3.933 0 1 FHAF CC(C)[C@@](C)(O)c1nc2cc(Br)c(Br)cc2[nH]1 586891759 VKOOLNXEQPYTFL-GFCCVEGCSA-N 362.065 3.951 0 1 FHAF O=C(N[C@H](c1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1)c1ccccc1 587218222 GYXPIMXGOOSXJW-GOSISDBHSA-N 371.396 3.781 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(=O)O)[nH]c3ccc(C)cc13)O2 587396039 JAQXSPBYVWBWEN-INIZCTEOSA-N 350.374 3.772 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3noc(C)n3)cc1)O2 587394875 KXFDOUYSGRCHMU-GOSISDBHSA-N 365.389 3.554 0 1 FHAF Cn1ccnc1[C@@]1(c2ccc(N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512171 LODBBJUKOFUDGV-QHCPKHFHSA-N 373.456 3.790 0 1 FHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587201179 JAQCFWSWJNRCFB-UHFFFAOYSA-N 373.457 3.726 0 1 FHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Cl)nc3[nH]2)C(F)(F)C1 587132744 UPZKLUSGWQQDFM-QMMMGPOBSA-N 358.776 3.581 0 1 FHAF COc1ccc([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1F 962768403 RJOZMVNKPXHHPC-MAUKXSAKSA-N 367.342 3.744 0 1 FHAF CCOC(=O)[C@H](F)[C@@]1(CC)NC2(CC2)Cc2ccc(Br)cc21 961316702 CPSGBHURWLLRPA-YOEHRIQHSA-N 370.262 3.634 0 1 FHAF COc1cccc(Cl)c1-c1cncc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772627509 UPFAPNZDOGVPQY-ZDUSSCGKSA-N 373.796 3.709 0 1 FHAF Clc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772635042 LMRQNYMDDPQEAJ-UHFFFAOYSA-N 366.856 3.639 0 1 FHAF CC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3ccccc3Cl)nc21 13475180 NSMGHIXXPBZKPX-UHFFFAOYSA-N 354.797 3.508 0 1 FHAF CCN1CC=C(c2ccccc2)[C@@H](C(=O)OCCc2ccc(OC)cc2)C1 13782816 ZMDYOFHOFRJYRX-QFIPXVFZSA-N 365.473 3.816 0 1 FHAF O=C(N[C@H]1CCc2ccccc21)[C@H]1CC(Cc2ccccc2Cl)=NO1 14988876 WULZGBSJUQZIHY-RBUKOAKNSA-N 354.837 3.831 0 1 FHAF CC(=O)OCC=C(C)C(=O)O[C@@H](C)c1ccc2c(c1)C(=O)CC(C)(C)O2 2356419333 OBOGYRDZWDMANK-ZDUSSCGKSA-N 360.406 3.544 0 1 FHAF CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1CCc1ccc(C)cc1 2913157 XJKOGRNTSVQQNJ-UZLBHIALSA-N 350.462 3.649 0 1 FHAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2cc(OC)cc(OC)c2)cc1 100106733 TVRJEEQVOVCIEH-DPTAYEOSSA-N 364.489 3.677 0 1 FHAF CC(=O)OC1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1 27193889 QFAQSWZJSGUUGP-UHFFFAOYSA-N 366.248 3.982 0 1 FHAF Cc1nn(-c2ccccc2)c2c1c(N1CCN(C)CC1)nc1ccccc12 26744948 BSOCUADEIPWJSU-UHFFFAOYSA-N 357.461 3.634 0 1 FHAF COc1cc([C@H]2COc3cc4occc4cc3C2=O)cc(OC)c1OC 2356708569 UVOSYRNAYALXRL-CQSZACIVSA-N 354.358 3.818 0 1 FHAF COC(=O)C1=CCC[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@H]12 2356759228 UEFMMKXOAVFFCD-ORPRQENYSA-N 366.461 3.605 0 1 FHAF CCCCN(C(C)=O)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356834035 KLNCHYGQYTZHIB-NRFANRHFSA-N 368.477 3.701 0 1 FHAF COC(=O)C1=C[C@@]23CCCC[C@@H]2[C@H]2C[C@H]([C@@H]4CCC[C@H](C)N4)[C@@](C)(O3)[C@@H]12 2356846450 ONZIOCUDSJAMDE-FQQSFCAHSA-N 359.510 3.600 0 1 FHAF CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1C[C@@H]1CCCO1 82185969 UIWCLJVQHKWHGO-INIZCTEOSA-N 369.444 3.709 0 1 FHAF Nc1ccc(-c2nccc(OC3CN(c4ccc5ccccc5n4)C3)n2)cc1 96168814 YUPAMOQNEXAAOE-UHFFFAOYSA-N 369.428 3.542 0 1 FHAF COc1ccccc1[C@@H]1N(c2cc(Cl)ccc2OC)C(=O)[C@@H]2CCCN21 250410320 XHWBLPURAKZORC-KXBFYZLASA-N 372.852 3.867 0 3 FHAF COc1c([C@@H]2COc3cc(O)cc(O)c3C2=O)ccc2c1C=CC(C)(C)O2 59729240 OZWAYRPZCFAHRV-AWEZNQCLSA-N 368.385 3.650 0 1 FHAF biogenic CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN3CCN(C)CC3)C=C2C)o1 35442702 RXSFRNBJNYDODX-UFYCRDLUSA-N 374.573 3.667 0 1 FHAF biogenic CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccnc(O)c2[nH]1 587191497 VKRNLNCTBVVJSU-OAHLLOKOSA-N 354.410 3.620 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N(C)C)n2)N1 587753289 HCPODUBJKAOVEH-DYZYQPBXSA-N 364.262 3.673 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(C)cc1-c1ccnn1C)[C@@H](C2)C3=O 587433194 WDAMNWDYLHVNDO-JTSKRJEESA-N 360.413 3.893 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Cl)cnc2[nH]1 587042417 JJGAIKOYERGJML-LBPRGKRZSA-N 365.245 3.920 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CCc1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587453041 NDHHMPYBYPUAPZ-KSFYIVLOSA-N 366.413 3.605 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cn2ccsc2n1 587873130 VAMHZLJFJQPAJX-UHFFFAOYSA-N 370.409 3.680 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ncnc1N1CCCCC1)O2 587380522 VURHAMTVEPPNTE-HNNXBMFYSA-N 372.856 3.717 0 1 FHAF COC(=O)[C@@H]1CCCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586992150 PDWHZMVXAQWKGL-GFCCVEGCSA-N 373.408 3.820 0 1 FHAF O=C(Nc1ccccc1Cl)c1nc2cc(F)c(-n3cccn3)cc2[nH]1 587060724 SDQUIAYUPPYUNU-UHFFFAOYSA-N 355.760 3.793 0 1 FHAF CCOC(=O)[C@H]1c2nc3ccc(O)c4c3c(c2C[C@H]1C)-c1ccccc1C4=O 586989614 MGOQHOIYIMKEMZ-PIGZYNQJSA-N 373.408 3.991 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)ncc1F)O2 587387734 WAUCDCNFVPIKSY-MRXNPFEDSA-N 365.202 3.754 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3C)N1 587773383 YMVIVDHRFFSWHZ-XODPVKTHSA-N 353.279 3.574 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(F)cc3)nc1C)O2 587383957 IAIOLNHDHWYNET-LJQANCHMSA-N 351.381 3.917 0 1 FHAF COC(=O)c1ccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2c1 587020721 DMPISNNBCWWGAW-UHFFFAOYSA-N 350.403 3.553 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1cnccn1)[C@@H](C2)C3=O 587435425 FWOXKTQTMDBVCO-BTYIYWSLSA-N 360.369 3.766 0 1 FHAF OCc1ccc(F)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587140790 QQPCRDAFMBYVPL-UHFFFAOYSA-N 357.129 3.902 0 1 FHAF C[C@@H]1C[C@@H](C(=O)O)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991712 VUUVTZNLDLRQNF-GHMZBOCLSA-N 359.381 3.902 0 1 FHAF CCc1cc(O)nc(SCc2nc3cc(Cl)c(F)c(F)c3[nH]2)n1 586966857 PKGSMUXQKJXNGO-UHFFFAOYSA-N 356.785 3.845 0 1 FHAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587831003 VBKTYKAJMJPSML-ANRSDYALSA-N 368.202 3.591 0 1 FHAF Cc1c(Br)ccc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c12 587248877 AIURQMSOIQNZRJ-UHFFFAOYSA-N 360.211 3.510 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cnc(-c2ccccc2)[nH]1 963046102 IFOZKNFJPRIVPE-NRFANRHFSA-N 356.429 3.869 0 1 FHAF COc1ccc(NC(=O)c2cc(N(C)Cc3ccc(F)cc3)ncn2)cc1 1772609206 UYJHSOKNMQPUEU-UHFFFAOYSA-N 366.396 3.513 0 1 FHAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cn([C@H]3CCOC3)c3ccc(F)cc13)C2 1772571352 QPPQWJFQMGBQRR-JYJNAYRXSA-N 372.440 3.524 0 1 FHAF COc1ccc2oc(Cc3ccccc3OC)c(CCNC(C)=O)c2c1 13474340 UUCZUAXLGXFIDX-UHFFFAOYSA-N 353.418 3.719 0 1 FHAF Cc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)c(C)c1 13676093 OIFRIFPZTMMMSX-UHFFFAOYSA-N 350.447 3.678 0 1 FHAF C[C@@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)CCC(=O)O 13783431 PBKZPPIHUVSDNM-BLQYKRGGSA-N 358.478 3.890 0 1 FHAF CCOC(=O)N1C(=O)[C@](c2ccc(Cl)cc2)(C(C)C)N1C(=O)OCC 15924600 DCJJAVZZIGQNSD-QGZVFWFLSA-N 368.817 3.564 0 3 FHAF CC(C)OCCCNC(=O)c1csc(=Nc2ccc(Cl)c(F)c2)[nH]1 1857590513 XSZSVMLDPLMBOT-UHFFFAOYSA-N 371.865 3.646 0 1 FHAF COc1cccnc1C1CCN([C@@H]2CCCN(c3nccs3)CC2)CC1 1857621324 MKBSWKVMNWBCNO-QGZVFWFLSA-N 372.538 3.785 0 1 FHAF O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2456074 LCURCBGBMNDJNO-SFTDATJTSA-N 360.457 3.582 0 1 FHAF COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@H]2C 38147681 LKXSEJODFICBQQ-NSHDSACASA-N 352.365 3.805 0 1 FHAF CCN(CC)Cc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)cc1 84732161 MDWXGIFHUDEODS-UHFFFAOYSA-N 369.490 3.883 0 1 FHAF COCOc1ccc(/C=C/C(=O)OC/C=C/c2ccc(OC)cc2)cc1 40934009 GOPRZJHFIWZUJD-LDKZCNOQSA-N 354.402 3.948 0 1 FHAF CCCC[C@@H](/C=C1/C[C@](CO)(COC(=O)c2ccccc2C)OC1=O)CC 40423096 WFEVCGXGHAEORJ-HTKKNLIYSA-N 374.477 3.973 0 1 FHAF COc1ccc(-c2cnn3c2nc(NCCN(C)C)c2ccccc23)cc1 96933162 GQXXYCGHCNOGHD-UHFFFAOYSA-N 361.449 3.532 0 1 FHAF CCCCCS(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1 299822488 OCWCQFGOTMQTRF-UHFFFAOYSA-N 358.467 3.744 0 1 FHAF O=C(O)CCc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 653803315 TXEIHWRRZSCCCY-UHFFFAOYSA-N 351.324 3.653 0 1 FHAF Nc1ccc(/C=C/c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 587251406 GFNUVHNVYPTBJM-FPYGCLRLSA-N 367.352 3.609 0 1 FHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(C)ccnc2[nH]1 587112056 GNMAOCKPPWKVCY-KRWDZBQOSA-N 362.355 3.685 0 1 FHAF NS(=O)(=O)c1cccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587053638 HMGDYADAHSEBRS-BQYQJAHWSA-N 368.245 3.688 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ccnn23)N1 587795473 OWIIASBXWJVCAV-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(C)(C)C 587203665 GRZLYUFMVRVFFT-AWEZNQCLSA-N 373.457 3.627 0 1 FHAF COc1ccc(C[C@@H](C)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1OC 587926274 MDSCUWZRRATVTP-ZMZPIMSZSA-N 354.410 3.650 0 1 FHAF COc1cc2c3c(c1)O[C@@](/C=C(/C)N(C)C)(c1cccs1)[C@@H](C2)C3=O 587450867 LKGZQTWPBJYTKQ-GCMKRCTNSA-N 355.459 3.865 0 1 FHAF Fc1cc(CCc2nc3cncc(Br)c3[nH]2)cc(F)c1F 587139636 MUELEOKCRDCHKE-UHFFFAOYSA-N 356.145 3.923 0 1 FHAF CCOC(=O)Cc1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 587095289 CAZYXVXZHZINEC-UHFFFAOYSA-N 363.339 3.937 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(C=O)cc1OC)CC2=O 587475608 BDOAXRVRZBUPBB-HXUWFJFHSA-N 370.401 3.881 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccc(O)cc1)(c1ccccc1O)[C@@H](C2)C3=O 587448569 FTDUTXFUJUYMOD-FDDCHVKYSA-N 374.392 3.798 0 1 FHAF Cc1c(O)ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587608636 MDFNTHNBVPGYOZ-UTKZUKDTSA-N 364.353 3.815 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@@H](C)C(=O)OC)CC2=O 587471817 VQSSCSCSFTYYJN-SGTLLEGYSA-N 357.406 3.587 0 1 FHAF CCOC(=O)c1ncccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518820 QNZILPIARCSICA-GOSISDBHSA-N 351.402 3.844 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CN)(c1ccc([C@@H](C)OC)cc1)CC2=O 587473126 QEILMFXMZLSPJP-JLCFBVMHSA-N 369.461 3.872 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCc4ccc(OC)cc4[C@H]1C)[C@@H](C2)C3=O 587444939 XLQQZLIIVJNSNZ-OCKUYBSPSA-N 350.414 3.940 0 1 FHAF FC(F)(F)c1nn(Cc2nc3cc4cn[nH]c4cc3[nH]2)c2c1CCCC2 587120150 UJPCFNFIXZNVSQ-UHFFFAOYSA-N 360.343 3.582 0 1 FHAF COC(=O)CC[C@H](N)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587258564 NQTDTHASDABICO-QMMMGPOBSA-N 369.265 3.554 0 1 FHAF O=C1CCc2cc3nc(CCCC(=O)c4ccc(Cl)cn4)[nH]c3cc2N1 587080202 BBTOFGOILIXXMX-UHFFFAOYSA-N 368.824 3.702 0 1 FHAF Cc1ccc2c(c1)cc([C@H]1N[C@H](C(=O)O)Cc3c1cnc1ccccc31)n2C 963239477 WYOCUBMIEQZNDF-UGKGYDQZSA-N 371.440 3.723 0 1 FHAF O=C(O)c1ccnc(-c2cn(CCc3ccccc3C(F)(F)F)cn2)c1 218242313 MZMHTIGRGQLMHC-UHFFFAOYSA-N 361.323 3.905 0 1 FHAF CC(C)Oc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 1772573261 QKEDXCZOTAWVEF-UHFFFAOYSA-N 368.477 3.567 0 1 FHAF Cc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1 13742542 IXXJXRFQXXILRP-UHFFFAOYSA-N 362.473 3.821 0 1 FHAF COc1ccc(CC[C@H](O)C[C@H](O)c2cc(-c3ccccc3)on2)cc1 1857750538 NLLRMHDZXWCSRA-PXNSSMCTSA-N 353.418 3.767 0 1 FHAF COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccccc3[nH]2)C[C@@H]1C(C)C 2356316055 ZNFGBIGGDRQBAK-OKZBNKHCSA-N 369.509 3.723 0 1 FHAF COc1cc(OC)nc(Oc2ccccc2CNc2ncccc2C)n1 4018804 GWNWLQPMPPGZMC-UHFFFAOYSA-N 352.394 3.602 0 1 FHAF CCCn1c(C)nc2c(N[C@H]3CCN(Cc4ccccc4)C3)nc(C)nc21 7991888 GIPNSVSVVZFASK-SFHVURJKSA-N 364.497 3.540 0 1 FHAF Cc1cnsc1[C@H](c1ccc(C(C)C)cc1)N1CCN(CCCO)CC1 28256561 LSUMUBPDRJQIAU-FQEVSTJZSA-N 373.566 3.664 0 1 FHAF Cc1cc(-n2ccc(=O)[nH]c2=O)cc(C)c1Sc1ccc(Cl)cc1 26015075 QIHAJIVLHVSHMU-UHFFFAOYSA-N 358.850 3.947 0 1 FHAF CCCNC(=O)[C@]1(C)CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 61907448 BUVSBKMOWMXZCZ-HSZRJFAPSA-N 364.489 3.583 0 3 FHAF COCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C 36215843 BPQBOYKVKMDZQU-KNQAVFIVSA-N 366.505 3.619 0 1 FHAF C/C(=C\COc1c2occc2cc2ccc(=O)oc12)C[C@H]1C=CC(=O)O1 33831896 LJOQBYPPAKFCAK-KXCGHJCSSA-N 352.342 3.736 0 1 FHAF biogenic,in-vitro CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 34212558 JJUQMZALXVFLHF-VXVPSNLHSA-N 372.553 3.768 0 1 FHAF COCOc1cc([C@@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)ccc1OC 45285417 MEFJUGOHRMJHIR-HOTGVXAUSA-N 374.433 3.975 0 1 FHAF O=C(N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)C1CCCCC1 199359217 WOHWMAQZCXZINZ-GOSISDBHSA-N 362.901 3.918 0 3 FHAF CCOc1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1 49784441 NOUYOZFPJITNNK-UHFFFAOYSA-N 364.373 3.651 0 1 FHAF c1cc(Nc2nccc(-c3cnn4ncccc34)n2)cc(-c2cocn2)c1 40974378 AKEMXASAMBDUOC-UHFFFAOYSA-N 355.361 3.585 0 1 FHAF O=c1oc2ccc(I)cc2cc1Cc1ccccc1 40828562 QDODXLKHZZZCBV-UHFFFAOYSA-N 362.166 3.988 0 1 FHAF Cc1nc(Nc2ccc(CC(=O)O)cc2)nc(-c2ccc(Cl)s2)n1 220082838 FFCNNVPWBLBJBF-UHFFFAOYSA-N 360.826 3.933 0 1 FHAF O=C(Nc1cccc2c1[C@H]1CCCCN1C2=O)Nc1ncc(F)cc1F 95574684 IMQYKFJIPMIFGC-CQSZACIVSA-N 358.348 3.685 0 1 FHAF CC(C)Oc1ccc(C2=N[C@@H](CSc3nc4ncccc4o3)CO2)cc1 95556778 NKKRYBCQFBLYEO-CQSZACIVSA-N 369.446 3.948 0 1 FHAF O=C(O)CCCOc1ccc(C(=O)CCc2ncc[nH]2)c(Cl)c1Cl 263620701 LHJXZHKKMFVTIF-UHFFFAOYSA-N 371.220 3.776 0 1 FHAF in-vitro c1cncc(CCCn2cc(CCCOc3cccc4cccnc34)nn2)c1 299826152 SZPHISJREXKSOG-UHFFFAOYSA-N 373.460 3.866 0 1 FHAF N[C@@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1Cl 587057826 RZMLVTDJIZHDJC-JTQLQIEISA-N 351.740 3.780 0 1 FHAF CCOC(=O)[C@@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417846 FEBDPEZYUFKJNP-QRWLVFNGSA-N 372.804 3.555 0 1 FHAF CCn1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587763551 KALXVPDXZIPQJJ-HWPZZCPQSA-N 352.251 3.602 0 1 FHAF Cc1nn(C)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587754922 FMMAQHSLJJCAOV-VVVCHXIZSA-N 366.278 3.736 0 1 FHAF CCOC(=O)c1csc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587535839 OSZCCOFKAACYSN-MRXNPFEDSA-N 357.431 3.905 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(C(=O)OCC)s1)CC2=O 587495090 NFJFGPPPDKHTJY-AWEZNQCLSA-N 361.419 3.684 0 1 FHAF CCOC(=O)C[C@@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515734 QEPCHWAPDTZHEE-JOCHJYFZSA-N 365.429 3.774 0 1 FHAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587828967 PJANGSNKXMWGFT-AYVTZFPOSA-N 368.202 3.591 0 1 FHAF C[C@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)N(C)C 587192322 TYUNLVYGKNQCNR-SSDOTTSWSA-N 366.181 3.717 0 1 FHAF NS(=O)(=O)c1cccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587027651 YWFWRCZFNQWFKK-UHFFFAOYSA-N 355.444 3.606 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2nc[nH]c2c1 587586705 CXDCYIOBGBHSCX-GHTZIAJQSA-N 358.353 3.971 0 1 FHAF COC(=O)[C@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097871 OPOCVAYHNQZZFD-GOSISDBHSA-N 359.381 3.600 0 1 FHAF O=C(O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611796 JQZPNOGGVZUZPR-QAPCUYQASA-N 368.366 3.855 0 1 FHAF Cc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)c2ccc(F)cc2C[C@@H]2CCCN21 963097756 HKFYJTLPYBNXDX-KSFYIVLOSA-N 365.404 3.759 0 1 FHAF COc1cc(O)cc(CC=C(C)C)c1[C@@H]1COc2cc(O)ccc2C1=O 14819448 QADONRYPXLKOMO-KRWDZBQOSA-N 354.402 3.974 0 1 FHAF biogenic C[C@@H](CSc1ccccc1)NC[C@@H](O)COc1ccccc1Cl 169327297 YNENMVYYNGMVIH-LSDHHAIUSA-N 351.899 3.850 0 1 FHAF COc1ccc2c(c1)cc1n2CCN2C(=O)c3cc(Cl)ccc3N(C)[C@H]12 221935399 GWQKTVSMBDSRMC-IBGZPJMESA-N 367.836 3.908 0 1 FHAF CCCCN1CCC(COC(=O)c2cc(Cl)c(N)cc2OC)CC1 13732248 GWWOKVLKIOEAIY-UHFFFAOYSA-N 354.878 3.600 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccc(Cl)cc1 100704160 JVFXFCFKGMROAI-IEMQHYRPSA-N 361.785 3.585 0 1 FHAF CN1Cc2cc(OCCCN3CCCCC3)ncc2[C@@H](c2ccccc2)C1 28883503 PLWLFZZWHZBABG-JOCHJYFZSA-N 365.521 3.914 0 1 FHAF CCOC(=O)Oc1ccc2cc(S[C@H]3SC(=O)NC3=O)ccc2c1 29215393 YTEORUGKQXPRMZ-AWEZNQCLSA-N 363.416 3.776 0 1 FHAF CSc1ccc(CN2CC[C@]2(C)C(=O)Nc2ccc3c(c2)OCO3)cc1 61908195 ADMHYBDEOMMCFT-HXUWFJFHSA-N 370.474 3.740 0 3 FHAF CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C 26144649 KJIOXMDZHQAFNH-IBGZPJMESA-N 373.497 3.624 0 1 FHAF CC1(C)N=C(N)N=C(N)N1c1ccc(SCc2ccccc2)c(Cl)c1 29219610 CIWCAKCCJMNWMV-UHFFFAOYSA-N 373.913 3.818 0 1 FHAF FC(F)(F)COc1ccccc1C[C@H](c1ccccc1)N1CCNCC1 36093194 APJFYUJBFNMVNI-GOSISDBHSA-N 364.411 3.817 0 1 FHAF N=C1Sc2cc(-c3ccc4c(c3)OCCO4)ccc2C2=NCCCN12 95576201 PTBHLNQWUHFETC-UHFFFAOYSA-N 351.431 3.618 0 1 FHAF CO[C@@H]1C=C(CC[C@]2(C)[C@@H](C)C[C@@H]3OC(=O)C4=CCC[C@H]2[C@@]43C)C(=O)O1 95912857 CLPKJMFRRPJXHG-ODIGRXASSA-N 360.450 3.537 0 1 FHAF biogenic,in-vitro COC(=O)[C@@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097874 OPOCVAYHNQZZFD-SFHVURJKSA-N 359.381 3.600 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(N)c32)N1 587748429 XCKXXODJVMDJLN-XTZNXHDOSA-N 361.258 3.894 0 1 FHAF O=C(O)/C=C/C=C\c1nc2cc(Br)c(Br)cc2[nH]1 587966783 XLIQTYXESHUULE-HSFFGMMNSA-N 372.016 3.742 0 1 FHAF CCCCOc1cc2[nH]c(-c3ncc(N)cn3)nc2cc1Br 587252316 CFZWVEIYDKKDAM-UHFFFAOYSA-N 362.231 3.544 0 1 FHAF COC(=O)CCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595277 QWINSLSSEGKIAR-LPHOPBHVSA-N 370.401 3.846 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)O)o2)N1 587827200 IHQBVFCLYPDZMG-BCTVWOGZSA-N 368.202 3.677 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)OC)oc1C)CC2=O 587480757 KTEAUDBYZHLBOZ-HXUWFJFHSA-N 358.390 3.913 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OCC)c(C)[nH]1)CC2=O 587480132 CIOFGNFHUMSWBN-SFHVURJKSA-N 357.406 3.864 0 1 FHAF CCN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C)C1 587344801 NSDQYVBSNAMQJC-FSJXIACGSA-N 369.436 3.991 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(F)c(F)c3)CC1)O2 587385592 PCQMXFSLAFXPBC-UHFFFAOYSA-N 358.388 3.860 0 1 FHAF Brc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cn1 587036509 DDOIUVNVJURIRA-NSHDSACASA-N 350.241 3.638 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cncnc1CC3 586987540 CLLNHHNPKRKUBE-UHFFFAOYSA-N 351.365 3.707 0 1 FHAF CCOC(=O)[C@H]1[C@H]2c3nc4ccc(O)c5c4c(c3C[C@H]21)-c1ccccc1C5=O 586990857 GXRHDHWMJRFNLH-OCBCSQNSSA-N 371.392 3.601 0 1 FHAF CC(C)c1nn(C)c2c1[C@](C)([C@@H]1CC=C(Br)CC1)NCC2 962923484 ZFDGCQGCUYZPQO-PXAZEXFGSA-N 352.320 3.983 0 1 FHAF Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CCCCC4)C3)C2=O)c1 12314846 IAIXMOLKZIOBLJ-QHCPKHFHSA-N 368.521 3.916 0 1 FHAF CCSC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 13745297 MAOMYAWKVQMEJW-UHFFFAOYSA-N 367.434 3.993 0 1 FHAF Cc1nc2cccc3c2nc1NC[C@H](C)CC[C@H]1CNC(=O)c2cc-3[nH]c21 150084114 TUMIEGHWQWSXPG-YPMHNXCESA-N 361.449 3.602 0 1 FHAF CN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4Cl)ccc1c23 1857535761 HRFYKDGKRHPODF-UHFFFAOYSA-N 372.833 3.884 0 1 FHAF CCc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1F 1857545413 XUKLETBFUBMBNM-UHFFFAOYSA-N 361.380 3.769 0 1 FHAF CC(=O)c1cccc(-c2cnc3ccc(-c4ccc5c(c4)OCO5)nn23)c1 1857586494 KEUIVAAIHBOKAP-UHFFFAOYSA-N 357.369 3.995 0 1 FHAF CC1(C)OC(=O)C=CC2=CC3=C(CC[C@@H]21)[C@]1(C)[C@@H](O)CC(=O)[C@@]1(C)CC3 2356326124 VAVPMWAWMDNSAO-AGMBJANBSA-N 356.462 3.651 0 1 FHAF CC1=C[C@H](O)[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@H](OC(=O)c2ccccc2)C1 2356331965 XFIOXSQDNUOOPB-LJCDUQBNSA-N 358.478 3.726 0 1 FHAF O=C(O)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1 1489854 BFUXDIIDQFAZIG-UHFFFAOYSA-N 370.213 3.883 0 1 FHAF Cc1c(-c2ccc(F)nc2F)nn(Cc2ccc(Cl)cc2)c(=O)c1C 1911579762 NBKMGABVZIRSCC-UHFFFAOYSA-N 361.779 3.902 0 1 FHAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2cccc(Cl)n2)/C1=C(/O)OC(C)C 29479639 CQWHYYDTODCNGU-DSDLTIFZSA-N 351.790 3.996 0 1 FHAF CC(=O)O[C@@H]1C[C@]2(O)C(C(=O)O)=C(C)CC[C@@H]2[C@]2(C)CCCC(C)(C)[C@@H]12 2356506870 QUZURXHTHRMFJE-IRRRHHOXSA-N 364.482 3.697 0 1 FHAF COc1ccc(NCCNC(=O)[C@@H](CC(C)C)Oc2ccccc2)cc1 28571406 FUZCWYPPEATDPO-HXUWFJFHSA-N 356.466 3.717 0 1 FHAF CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C 2356739023 VKFMRYVPGACJBB-HGDBWIPFSA-N 374.613 3.941 0 1 FHAF O=C(CCCC1CCN(C(=O)CCc2ccccc2)CC1)c1ncco1 29126384 QUIASLVKTLGQFG-UHFFFAOYSA-N 354.450 3.899 0 1 FHAF Cc1c([C@H](C)OC(=O)Nc2ccccc2)oc2nc(C(F)(F)F)nn12 66252578 BDNZVCRTCLYQQP-VIFPVBQESA-N 354.288 3.959 0 1 FHAF O[C@](c1cccnc1)(c1cnc(Cl)nc1)c1ccc(Cl)cc1F 72101414 WZNYAHKZOSGZHM-MRXNPFEDSA-N 350.180 3.602 0 1 FHAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2ccco2)C1 82142298 AILVZVFJXGUWCC-JKSUJKDBSA-N 368.481 3.988 0 1 FHAF COc1ccc(-c2nnc3ccc(-c4cccc(C(=N)O)c4)cn23)cc1OC 82082925 URHXCYHDKUBLSF-UHFFFAOYSA-N 374.400 3.964 0 1 FHAF 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)CC[C@]12O 82230075 XZTUSOXSLKTKJQ-LPGOLNJRSA-N 374.521 3.604 0 1 FHAF c1ccc2cc(OCCO[C@H]3CCCC[C@H]3N3CCOCC3)ccc2c1 145391864 GUACQORHQAFRFP-YADHBBJMSA-N 355.478 3.879 0 1 FHAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCCSC(C)=O)C(=O)OC2 96911456 XSVSEXMCCPKCJU-YRNVUSSQSA-N 364.463 3.928 0 1 FHAF C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 148701716 BVRZCFSHFQEKNX-INIZCTEOSA-N 357.303 3.613 0 1 FHAF Nc1nc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c[nH]1 299833323 RPOCSMNLZNPZHV-UHFFFAOYSA-N 357.211 3.674 0 1 FHAF COc1cc(-c2nc(CN)cc3c2[nH]c2ccccc23)cc(OC)c1OC 474607090 JGZVEHCIZQXXAG-UHFFFAOYSA-N 363.417 3.868 0 1 FHAF CC(C)(CO)[C@@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586901558 SGYXJFZVBJJVMQ-JTQLQIEISA-N 356.266 3.652 0 1 FHAF Cc1cc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c(C)n1 587132046 HYQCSOWNHSEASH-NSHDSACASA-N 352.385 3.544 0 1 FHAF CSc1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587126739 GCFAKORKKZJMEG-UHFFFAOYSA-N 373.381 3.640 0 1 FHAF CC(C)(C)OC(=O)NC1(c2nc3ccc(F)c(F)c3[nH]2)CCC(=O)CC1 587234393 LYYRRBZNSBLQFA-UHFFFAOYSA-N 365.380 3.704 0 1 FHAF C[C@]1(c2cc[nH]c(=N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335761 MEYGFJIJZIOZMU-PZJWPPBQSA-N 364.376 3.613 0 1 FHAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)sc2ncnn12 587537187 BPRMSHNAOPQWSB-LJQANCHMSA-N 353.447 3.859 0 1 FHAF Cc1[nH]nc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594990 MDDVCVUVCZBCAT-GHTZIAJQSA-N 362.385 3.617 0 1 FHAF COc1cncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587776973 ZOQGBEBCCDFTBE-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF CC(C)(C)OC(=O)NC1([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587508676 BABNRNKVTJDWMA-KRWDZBQOSA-N 357.450 3.957 0 1 FHAF Oc1c(Br)ccc2nc(Cc3c(F)cncc3Cl)[nH]c12 587175910 JWSZHVSJLZXFCO-UHFFFAOYSA-N 356.582 3.809 0 1 FHAF CCS(=O)(=O)c1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 586922441 MRZVFFLSKFNJHZ-UHFFFAOYSA-N 370.352 3.922 0 1 FHAF CC(C)N1CCC([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587580749 DIXXYETXQJJKCT-DENIHFKCSA-N 367.445 3.843 0 1 FHAF Clc1cnn(COc2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)c1 587082150 LVBOUHMOEUDASN-UHFFFAOYSA-N 361.192 3.511 0 1 FHAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2nc(Br)c[nH]c-2n1 587931271 RRVHXEPBCIUVDB-MGPLVRAMSA-N 359.227 3.521 0 1 FHAF Fc1cc(F)c2[nH]c(-c3cncc(I)c3)nc2c1 587184077 CSEBXDWJRWIEQG-UHFFFAOYSA-N 357.101 3.508 0 1 FHAF COc1cc2c(cc1OC)[C@@](C)(c1cccc(C)c1)NCC21CCOCC1 963195724 VRSMCFXKAAVLDQ-JOCHJYFZSA-N 367.489 3.927 0 1 FHAF CC(C)C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCC(=O)N(C)C 12027555 SMJVTXAOCGOCSF-GOSISDBHSA-N 355.482 3.508 0 3 FHAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1ccccc1)CCC3 13837587 MLXUDSNEEBJDLN-QGZVFWFLSA-N 350.418 3.514 0 1 FHAF O=C(c1cc(-n2ccc3ncccc32)c(O)cc1O)N1Cc2ccccc2C1 169343527 FYCJRTZCIKPOFP-UHFFFAOYSA-N 371.396 3.593 0 1 FHAF COc1c(O)c(C(C)C)cc2c1[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)C2=O 169660732 FPXYVFQXMVNGKZ-LQWHRVPQSA-N 358.434 3.710 0 1 FHAF COC(=O)/C1=C\CC/C(C)=C/CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H]1O 166249527 QOFSQIDQLLDFQM-CBRWMVBRSA-N 360.450 3.545 0 1 FHAF O=C1CCCC2=Nc3nonc3N[C@@H](c3ccc(Cl)cc3Cl)[C@H]12 1857593375 HFRIRNBBEHYYQZ-STQMWFEESA-N 351.193 3.985 0 1 FHAF Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(Cl)cn4)C3)ccc2n1 1857645973 RLKISWZSUMWWNV-UHFFFAOYSA-N 366.852 3.519 0 1 FHAF CCOc1ccccc1O[C@@H](c1ccccc1)[C@H](OC)C1=NCCN1CC 2356318785 YPNVONJTSSWPPO-SFTDATJTSA-N 368.477 3.954 0 1 FHAF CC=Cc1cc(OC)c2c(c1)[C@H](CO)[C@H](c1cc(OC)c(O)c(OC)c1)O2 2356463804 NIYWVYHPXJLJBK-YWZLYKJASA-N 372.417 3.661 0 1 FHAF Cc1cc(NCCCn2ccnc2)n2nc(-c3ccc(F)cc3)cc2n1 4103147 BLLXAFQWCMYQSK-UHFFFAOYSA-N 350.401 3.543 0 3 FHAF C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100556419 YJFRCGBSROETFJ-HVHBBZRCSA-N 367.917 3.897 0 1 FHAF CN1N=C(c2ccc(OCCCN3CCCCC3)cc2)[C@@H]2CCC[C@@H]2C1=O 72122641 ZWVLHXRFHSCJTO-UXHICEINSA-N 369.509 3.534 0 1 FHAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](CC(C)(C)C)C[C@H]4[C@@H](C2)N(C)CC[C@@]314 195299787 IKEFFWJSZNGXRT-NQUYGASWSA-N 369.505 3.596 0 1 FHAF NC(=O)C[S@@](=O)Cc1ccccc1Oc1cc(Cl)cc(Cl)c1 84713280 XIJBKNCJTGUWHU-JOCHJYFZSA-N 358.246 3.520 0 1 FHAF C[C@@]1(c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CCSC(N)=N1 96174290 AKLATASKTPLNJX-KRWDZBQOSA-N 360.870 3.654 0 1 FHAF CCC/N=c1\c(NC(=O)c2cccc(OC)c2)c(O)oc2ccccc12 617996277 IJORQIARZHVZDB-FXBPSFAMSA-N 352.390 3.710 0 1 FHAF CC1(C)C=Cc2c(c(O)cc3c2OC[C@H]2c4cc5c(cc4O[C@@H]32)OCO5)O1 85996204 JEDDWGYBFZMEOV-DJJJIMSYSA-N 366.369 3.915 0 1 FHAF biogenic CC(C)(C)C[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603894 QAPGVLAUJMTYHK-QRWLVFNGSA-N 356.374 3.613 0 1 FHAF COc1ccc2c(c1)CCC=C2Cc1nc2nc(Br)c[nH]c-2n1 587934628 KQEXLEVGFFDOPY-UHFFFAOYSA-N 371.238 3.648 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(O)cc1C2 587612829 WUVGXMAGIMXFCC-NZQKXSOJSA-N 374.392 3.987 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn2ccnc12 587588274 SDFRWSMQSRSBLQ-PXNSSMCTSA-N 358.353 3.743 0 1 FHAF COc1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587042011 GPUPLSUJDXYDFP-HNNXBMFYSA-N 359.838 3.880 0 1 FHAF CCc1nn(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587765806 UHRMESIGLNCAEB-FVMDXXJSSA-N 352.251 3.508 0 1 FHAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587050593 PNTDSPIZLCTRRU-UHFFFAOYSA-N 354.797 3.726 0 1 FHAF COc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587003477 VKWSLHXEFJJSFQ-UHFFFAOYSA-N 371.238 3.926 0 1 FHAF Cc1ccc2c(ccc3nc(CNC(=O)c4cc5c(s4)CCC5)[nH]c32)n1 587034756 LEEXWTNHUKLZFW-UHFFFAOYSA-N 362.458 3.900 0 1 FHAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ncn1 587346539 MWYGZACQTYTSMY-TZIWHRDSSA-N 364.376 3.904 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(Br)[nH]2)N1)C(F)(F)F 962761171 GVRZKXKOJZPOEH-AAEUAGOBSA-N 373.172 3.512 0 1 FHAF Nc1nc(Br)ccc1[C@@H]1c2c(F)cccc2C[C@H]2CCCN21 963086741 CEYVFRWEVOUFAR-BDJLRTHQSA-N 362.246 3.675 0 1 FHAF CN(C)c1cccc2c(S(=O)(=O)Nc3onc4c3CCCC4)cccc12 13741077 LCGPVXNVOOGJPP-UHFFFAOYSA-N 371.462 3.573 0 1 FHAF O=C(c1cc(C(F)(F)F)no1)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 1857545447 MNKDWPQWYVYQPR-SNVBAGLBSA-N 364.327 3.590 0 1 FHAF CC[C@H]1Cc2cc(OC(C)C)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857774065 YMXRTXMUDBREAD-ZDUSSCGKSA-N 357.406 3.517 0 1 FHAF C[C@H]1C[C@@H](C)CN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1 766870 NPNXVDAIEHULFX-OKILXGFUSA-N 366.440 3.943 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCO 4212844 TUEOZKDULHQFEU-PMACEKPBSA-N 360.498 3.932 0 1 FHAF O=C([C@@H]1C[C@H]1c1ccc(N2CCOCC2)nc1)C12CC3CC(CC(C3)C1)C2 52566034 SUCUNCCEKWWUHL-PGNWRCAKSA-N 366.505 3.807 0 1 FHAF Cn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 101541007 QEGOWKJFJUQRGC-PCFDJQJPSA-N 356.441 3.622 0 1 FHAF COc1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117435844 PURKIMHKDQGDHR-RXVVDRJESA-N 361.445 3.906 0 1 FHAF Cc1nc2nc(-c3ccccc3)nn2c2c1CCN2Cc1ccccc1F 28085626 VVKJWWHQIAOXOG-UHFFFAOYSA-N 359.408 3.802 0 1 FHAF CC(C)[C@@]12C=C[C@](C)(O)CC(=O)C[C@H](C)CC[C@@H](OC=O)[C@@](C)(CC1)O2 2356474273 KXWFDYNNCDYRQV-QNDFHXLGSA-N 366.498 3.578 0 1 FHAF O=C1Nc2ccccc2/C1=C\c1ccc(CN2C(=O)C(=O)c3ccccc32)o1 95560202 NVQRWOXSANFDTI-GZTJUZNOSA-N 370.364 3.502 0 1 FHAF Cn1cc(-c2ccc(-c3cncc4ccc(N5CCCC5=O)nc34)cc2)cn1 653834548 OBXJXHURJISADY-UHFFFAOYSA-N 369.428 3.824 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC(F)(F)F)c1O)[C@@H](C2)C3=O 587423896 WBUIGKRIGQSOJQ-GTNSWQLSSA-N 366.291 3.788 0 1 FHAF NC(=O)Nc1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587241995 KZQRTVDYOPWMDQ-UHFFFAOYSA-N 366.606 3.531 0 1 FHAF Oc1nccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587080494 DJPAQSXGSJLMET-UHFFFAOYSA-N 362.780 3.694 0 1 FHAF O=Cc1ccc(OCc2occc2-c2nc3cc4c(cc3[nH]2)OCO4)cc1 586901649 VMBDGFYTVDUEAN-UHFFFAOYSA-N 362.341 3.943 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OC(C)C)[C@@H](C2)C3=O 587440599 PCNLOHCKMOFMSN-MGPUTAFESA-N 354.402 3.980 0 1 FHAF CC(C)n1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587755905 BMQQHTINFBYRRV-HWPZZCPQSA-N 352.251 3.989 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C(=O)O)N1 587825688 HWWSCECJXDTQCF-XXFAHNHDSA-N 364.214 3.910 0 1 FHAF CC(C)=CCOc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1 587560206 XYRUMVPSUXHGJQ-UHFFFAOYSA-N 351.406 3.566 0 1 FHAF CCOC(=O)C(=O)[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587106552 LINAMRJDBBXUOC-INIZCTEOSA-N 371.392 3.608 0 1 FHAF C[C@@]1(c2cnc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551104 CZRRTESWRMNYCX-APWZRJJASA-N 368.776 3.713 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3cncc(Br)c3[nH]2)c1C 587238826 GAKUZNOSSXVMJG-UHFFFAOYSA-N 359.227 3.518 0 1 FHAF C[S@@](=O)/C=C/CCNC(=S)Sc1ccc(Br)cc1 1857656964 BOMNNJDOBLTOQJ-KDEAJPOZSA-N 364.355 3.698 0 1 FHAF COc1ccc(-c2nc(NCc3c(F)cccc3Cl)n[nH]2)cc1OC 1772575350 TVHNCWLRUOTUCD-UHFFFAOYSA-N 362.792 3.894 0 1 FHAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccccc2F)cc1 13525150 NHOQYMSDENUHMU-UHFFFAOYSA-N 350.802 3.735 0 1 FHAF O=C(O)c1ccc(Nc2cc3nc(-c4ccc(F)c(F)c4)[nH]c3cn2)nc1 1857639862 OQCAZBPZONYEDV-UHFFFAOYSA-N 367.315 3.740 0 1 FHAF COc1ccc2[nH]cc(CN3CCC(CO)(c4ccccc4)CC3)c2c1 1641857 NYVOMBGKIVNSQV-UHFFFAOYSA-N 350.462 3.703 0 1 FHAF c1ccc2c(NCCCN3CCCC3)nc(Nc3nccs3)nc2c1 29203908 ROAIHVSEQWAAPS-UHFFFAOYSA-N 354.483 3.728 0 1 FHAF O=C(Cc1c(F)c(F)c(F)c(F)c1F)OC12CC3C[C@@H](C1)C(=O)[C@@H](C3)C2 101507446 OUPWONPHKPKUTB-CZLVUTIKSA-N 374.305 3.616 0 3 FHAF CC(=O)Nc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114037280 UNHJXKXHKIFADV-HXUWFJFHSA-N 363.465 3.598 0 1 FHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1C(=O)c1ccccc1 27877884 LFLHZRBADWTKON-IBGZPJMESA-N 364.445 3.796 0 1 FHAF CC1(C)C=Cc2cc([C@H]3CC(=O)c4c(O)cc(O)cc4C3)cc(O)c2O1 2356673992 XYKFWTLYWLHTAE-CYBMUJFWSA-N 352.386 3.900 0 1 FHAF COc1ccc(NC2=C(c3ccc(Br)cc3)C(=O)OC2)cc1 72119725 DJYDBNROHPAVNP-UHFFFAOYSA-N 360.207 3.838 0 1 FHAF COc1cccc(CCNC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1 73158202 PHOBRHBNCBQQGX-UHFFFAOYSA-N 360.417 3.539 0 1 FHAF C[C@]1(c2ccccc2)CCCN(C(=O)NCCc2ccc3nccnc3c2)C1 49013887 DFXLYUBDPQCNSA-QHCPKHFHSA-N 374.488 3.936 0 1 FHAF CN(C)CCc1cccc2[nH]c(-c3nc(CCc4cccnc4)no3)cc12 40762921 FGNYBQWSRGYYTI-UHFFFAOYSA-N 361.449 3.502 0 1 FHAF CC(C)C[C@@H](CO)NCC(=O)N1CCc2ccccc2[C@H]1C1CCCCC1 473093224 SXJOMZJAQSZBDU-NZQKXSOJSA-N 372.553 3.689 0 1 FHAF C[C@@]1(c2cc(N)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554297 CYQRUJGLDPWBGH-NQIIRXRSSA-N 365.360 3.991 0 1 FHAF CCOC(=O)[C@@H]1CSCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587538565 PMERBNVHNSBCPG-OXJNMPFZSA-N 360.475 3.586 0 1 FHAF CC(=O)CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3cc(F)ccc23)cc1 587634736 CVTYFHZOFXGCMP-UHFFFAOYSA-N 367.380 3.785 0 1 FHAF CCCOC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797044 VGFFFOZJPNTSMK-HWPZZCPQSA-N 358.251 3.681 0 1 FHAF Cn1ccnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339271 FOKZUJADJXSWMC-XLIONFOSSA-N 352.365 3.539 0 1 FHAF CCCc1c(O)ccc2c1O[C@](COC(C)=O)(c1ccc(F)cc1)CC2=O 587465841 HMEJOABTZUGTSI-OAQYLSRUSA-N 372.392 3.908 0 1 FHAF Cc1ccc(CSCCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 586970204 BQDZOPAHCXRLSC-UHFFFAOYSA-N 353.447 3.678 0 1 FHAF C[C@@]1(c2cc(F)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568587 FSOCVDMCHBQEJK-RXVVDRJESA-N 365.360 3.991 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)([C@H]1CCCNC1)O2 587401192 QRUBDCTZYSSSFM-JTSKRJEESA-N 350.462 3.524 0 1 FHAF COc1ccccc1-c1ccnc(-n2ncc3ccc(Cl)cc3c2=O)n1 587652395 DDSCCRCEVNTUCE-UHFFFAOYSA-N 364.792 3.505 0 1 FHAF O=C1CSc2ccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cc2N1 587043800 NDNGVGSATNSRIK-UHFFFAOYSA-N 350.325 3.688 0 1 FHAF Cn1cc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587342892 QIPBOGKRMZCXJG-FPOVZHCZSA-N 366.392 3.625 0 1 FHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C)cc(C)c3[nH]2)cc1 587228418 LMDIPESMARSAHH-UHFFFAOYSA-N 366.421 3.678 0 1 FHAF CCOc1c(OC)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400110 NKALDUKPQPRXEY-INIZCTEOSA-N 357.406 3.700 0 1 FHAF Cn1cnc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587580689 YYHALKBSYCZGER-KNQAVFIVSA-N 372.380 3.982 0 1 FHAF COc1cccc(-c2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 587393587 IYRVQRXDZZGHIB-LJQANCHMSA-N 361.401 3.749 0 1 FHAF Cc1ccc2cc([C@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)ccc2n1 963238684 VZBUIAPBBVJYMS-FCHUYYIVSA-N 369.424 3.780 0 1 FHAF CCn1nncc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831775 JFNZDBJMCWYYKU-JOCHJYFZSA-N 373.460 3.593 0 1 FHAF Cc1cc([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)o1 962966341 LYPGXEFSJFJTTG-GUYCJALGSA-N 355.768 3.690 0 1 FHAF CCOc1cccc2c1CCN(Cc1ccc([C@@H](C)NC(C)=O)cc1)C2 1772577917 CGMZPBWEEAOLQC-MRXNPFEDSA-N 352.478 3.841 0 1 FHAF Cc1sc(-c2cccc(Cl)c2Cl)nc1C(=O)N1CCOCC1 1772600303 XMDBQVNUYGIBMU-UHFFFAOYSA-N 357.262 3.898 0 1 FHAF Cc1csc(CN(C)C(=O)c2cc(COc3ccc(C)c(C)c3)on2)n1 12596402 SVXWZKDPYRFJSV-UHFFFAOYSA-N 371.462 3.908 0 1 FHAF CCO[C@H]1OC(C(=O)O)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO 13634732 WPQFRGANSMXDLW-KSMMKXTCSA-N 362.447 3.735 0 3 FHAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCF)[C@@H](c1ccc(Br)cc1)C2 169358869 LEEXJBMYTWENTA-FPCVCCKLSA-N 370.262 3.528 0 1 FHAF CC(C)(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F 204410952 OTMWNCKTAIQVPN-INIZCTEOSA-N 371.378 3.798 0 1 FHAF CCC[n+]1ccc(C[C@@H]2CCc3cc(OC)ccc3C2=O)c(C(C)=O)c1 1857537237 NEDSVSDWHVAKDF-SFHVURJKSA-N 352.454 3.583 0 1 FHAF Cc1ccsc1[C@H]1c2[nH]c3ccccc3c(=O)c2CN1c1ncccn1 1857646759 LPNFHENLGJXKPN-QGZVFWFLSA-N 360.442 3.798 0 1 FHAF COCCCNC(=O)c1cc(Nc2ccccc2OC)nc2ccccc12 4911829 URDQTPJYONRJDQ-UHFFFAOYSA-N 365.433 3.753 0 1 FHAF C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100556417 YJFRCGBSROETFJ-RBJZZQKESA-N 367.917 3.897 0 1 FHAF O=c1cc(-c2ccc(-c3cccc(O)c3)cc2)sc(N2CCOCC2)c1 101077668 XESKDPSQTLKAFC-UHFFFAOYSA-N 365.454 3.985 0 1 FHAF N[C@H]1CC[C@H](Nc2cc(Nc3ccccc3Cl)n3nccc3n2)CC1 101556589 FISPOMCKBOYLEG-BETUJISGSA-N 356.861 3.808 0 1 FHAF COc1ccccc1-c1c(C)c2ccc(OC(=O)N(C)C)cc2oc1=O 26480898 CQMIZHRFPPFTQD-UHFFFAOYSA-N 353.374 3.837 0 1 FHAF COc1ccc2c(c1)[C@@H](SCCN1CCOCC1)c1ccccc1O2 25970840 HBDZYTQRDGAQRO-FQEVSTJZSA-N 357.475 3.956 0 1 FHAF COc1cc(OC)c2c(c1C=C[C@H](C)O)O[C@H](c1ccccc1)CC2=O 2356668664 XNQZHTLUJNFMIV-GUYCJALGSA-N 354.402 3.804 0 1 FHAF CCCC[C@@H](O)CC=CCCCCCCCCC(=O)OC[C@@H](O)CO 2356804580 ZGDOOBRKAZVQOQ-MOPGFXCFSA-N 358.519 3.501 0 1 FHAF CCC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(NC)cc2)NC(=O)N1 73296726 DOCDRZVYUHATHT-LJQANCHMSA-N 371.481 3.870 0 1 FHAF NC[C@H](CC(=O)O)c1ccc(Cl)c(OCc2ccnc3ccccc23)c1 73159994 FKGCYBLHJWTOJU-HNNXBMFYSA-N 370.836 3.984 0 1 FHAF COc1cc(O)c(CC=C(C)C)c2c1C[C@H](O)[C@@H](c1ccc(O)cc1)O2 14762556 YRVPIFONAVRLMJ-AZUAARDMSA-N 356.418 3.652 0 1 FHAF biogenic COc1ccc([C@@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(O)c1 14762877 OLQBBSLOQUEHDZ-HNNXBMFYSA-N 370.401 3.680 0 1 FHAF biogenic COCCN1C(=O)COCc2cc(-c3cccc(C(F)(F)F)c3)ccc21 74375673 TYIZAQBLCSVIJR-UHFFFAOYSA-N 365.351 3.882 0 3 FHAF Cc1cc(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1 42920312 ASVLMGWISIFAFN-UHFFFAOYSA-N 354.797 3.838 0 1 FHAF CC1(C)CC(=O)c2sc(N3CCOC[C@H]3Cc3ccccc3)nc2C1 40917548 MXZMBQXJWFWHNJ-OAHLLOKOSA-N 356.491 3.746 0 1 FHAF COc1ccccc1[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1 142092907 KDESFVQFLBRKMV-DZGCQCFKSA-N 356.426 3.640 0 1 FHAF Cn1cc(-c2ncc(-c3nc4ccc(Br)cc4[nH]3)s2)cn1 587021946 RKJHNQVFRIXMBO-UHFFFAOYSA-N 360.240 3.849 0 1 FHAF CCOC(=O)Cc1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 586896272 NUGUBBKYOBRLMS-UHFFFAOYSA-N 352.434 3.940 0 1 FHAF CCc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409022 TWCUKSNJLHIHQQ-NRFANRHFSA-N 353.418 3.865 0 1 FHAF C/C(=C/[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)NC1CC1 587739535 AMHMWLPNQZBXDJ-YFNTUCEMSA-N 353.279 3.993 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3c(F)ccc(F)c3OC)nc2c1 587132987 NGLQZEHMKPBXSF-UHFFFAOYSA-N 352.724 3.957 0 1 FHAF Cc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1F 587194376 QKMCLMYUTBDOJG-CYBMUJFWSA-N 350.438 3.528 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(O)cc(OC)cc1OC)CC2=O 587484016 VWWBAZHPZYVDNV-SFHVURJKSA-N 358.390 3.774 0 1 FHAF Cc1cc(C)n(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587582392 PEMBKIVXWRIKFZ-GHTZIAJQSA-N 364.401 3.626 0 1 FHAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587588200 PMPVIDXGTQOCCH-GHTZIAJQSA-N 363.369 3.807 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)cc1OC(F)F)[C@@H](C2)C3=O 587424491 ZEBGIHFZPSYVLK-SJCJKPOMSA-N 350.292 3.924 0 1 FHAF Cc1ccc([C@@]2(CO)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587829782 YAWLNNKMMFQTBF-KZULUSFZSA-N 364.258 3.667 0 1 FHAF C[C@]1(C[C@H]2CCCCN2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596241 PWXONZJPSOEAAG-CFCCAZDESA-N 353.418 3.645 0 1 FHAF O=C1NNC(c2ccc(Br)cc2)=C[C@H]1c1ccc(Cl)cc1 957579813 VCLRAXNWDNGLCE-AWEZNQCLSA-N 363.642 3.862 0 1 FHAF Cn1ncc2c1CCC[C@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962720774 WQPWROQJLVNBFG-VLIAUNLRSA-N 357.498 3.503 0 1 FHAF Cc1cc2c(cc1O)[C@](c1ccc(F)c(F)c1)(C1CCC1)N[C@H](C(=O)O)C2 963511033 RRBBRXDRZJDYOF-GHTZIAJQSA-N 373.399 3.621 0 1 FHAF Cc1cc2occ([C@@H]3NCCc4c3c(C(C)C)nn4C)c(=O)c2cc1C 962920524 NDINMHVQSVYFFZ-FQEVSTJZSA-N 351.450 3.502 0 1 FHAF C[C@H](CC[C@@H]1NCCc2c(C(=O)O)cccc21)N(C)C(=O)OC(C)(C)C 963124414 QGUIRPUXAGCNLS-DYVFJYSZSA-N 362.470 3.607 0 1 FHAF Cc1ccccc1C[C@]1(CO)CCCN(Cc2c(C)nn(C)c2Cl)C1 12025442 CKOUMKRTYNLNGI-HXUWFJFHSA-N 361.917 3.508 0 3 FHAF COc1cc([C@H]2CNC[C@@H](c3c[nH]c4ccccc34)O2)cc(OC)c1OC 13385561 APYCBBUCRVHTDX-UXHICEINSA-N 368.433 3.596 0 1 FHAF biogenic CC(C)Nc1nc2sc3c(c2c(=O)o1)CCN(Cc1ccccc1)C3 13678172 GVAVZHDTBPDDGM-UHFFFAOYSA-N 355.463 3.628 0 1 FHAF CC=C(C)c1cc(OC(=O)c2c(C)cc(O)cc2O)c(C)c(O)c1C(=O)O 2356323732 MSAPYHMOHNMMPH-UHFFFAOYSA-N 372.373 3.761 0 1 FHAF Cc1ccc(CN2CCCN(Cc3c(C)cc(C)cc3C)S2(=O)=O)cc1 6945313 XRQGGSRUOQDNBG-UHFFFAOYSA-N 372.534 3.873 0 3 FHAF O=C(Nc1ccc(F)c(C(=O)Nc2ccc(Cl)cn2)c1)c1ccco1 103259419 PSXFGXUWMXYEFD-UHFFFAOYSA-N 359.744 3.972 0 1 FHAF O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1ccc(F)c(F)c12 100018462 XGDXRNNFDRTBFM-UHFFFAOYSA-N 359.307 3.765 0 1 FHAF Fc1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cccnc5)C[C@@H]3N4)cc2)c1 100107149 FLPPTRPPLUKLPE-NUNAXRQHSA-N 359.448 3.828 0 1 FHAF CCCN(C(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O)c1ccccc1C 103711201 FLYQJLFINUUTRT-UHFFFAOYSA-N 374.444 3.581 0 3 FHAF C[C@@H](CN1C(=O)CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1=O)c1ccc(Cl)cc1 101677991 FNLOYSHYLCJHER-TZDHZFECSA-N 374.868 3.813 0 1 FHAF Fc1cnc2[nH]cc(-c3nnc(N[C@@H](c4cccnc4F)C4CC4)o3)c2c1 103247500 KSGGOJKIGSSSBJ-CQSZACIVSA-N 368.347 3.849 0 1 FHAF Cc1ccc(C2=C(CC(=O)O)[C@H](c3ccc(Cl)cc3)NC(=N)N2)cc1 103262470 BWGYRJQHWJGJDI-SFHVURJKSA-N 355.825 3.703 0 1 FHAF Nc1ccc(-c2ccc(CCC(=O)O)cc2)cc1NC(=O)c1cccnc1 29127052 BOPRDMTZSPETAR-UHFFFAOYSA-N 361.401 3.600 0 1 FHAF CCCN(CCC)[C@H]1CCc2cccc(S(=O)(=O)C(F)(F)F)c2C1 27323075 BPEVWFLHQBRSHZ-AWEZNQCLSA-N 363.445 3.959 0 1 FHAF CC(=O)N[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 25979165 YELINKLJALRIDI-DEOSSOPVSA-N 365.842 3.759 0 1 FHAF CC(=O)OC[C@@H](CO)OC(=O)C=C(C)CCC1=C(C)CCCC1(C)C 2356656227 FRCBJSJRQTTWIF-QGZVFWFLSA-N 352.471 3.707 0 1 FHAF CCOC(=O)c1[nH]nc2c1C[C@H]1[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]21C 34409802 WMQJMIBEOIXGLX-NTPFDHPUSA-N 366.461 3.862 0 1 FHAF COC1CCC2(CC1)Cc1ccc(OC[C@H](C)F)cc1[C@@]21N=C(C)C(N)=N1 210604612 WEHAHFRWAHYPCU-MDJSHXJESA-N 373.472 3.539 0 1 FHAF O=C1c2ccccc2CN1CCCN1CCC(Oc2ccc(F)cc2)CC1 45188596 ZINVLBQHLXZFHS-UHFFFAOYSA-N 368.452 3.715 0 1 FHAF COc1ccc2nc(Nc3nc(=O)c4ccc(Cl)cc4[nH]3)nc(C)c2c1 40410216 OINSMXCHYNQYMD-UHFFFAOYSA-N 367.796 3.580 0 1 FHAF CC[C@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 40949528 KFQRNRMSCSAZDG-CTNGQTDRSA-N 352.478 3.625 0 1 FHAF CCCC[C@H](/C=C1/C[C@](CO)(COC(=O)c2ccc(C)cc2)OC1=O)CC 42922332 URMIFSQXHSBVND-SVFWZWDPSA-N 374.477 3.973 0 1 FHAF Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)c4cccnc4)cn3)ccc12 98084088 AHEKTMBHDWWTMC-UHFFFAOYSA-N 373.368 3.936 0 1 FHAF CCCc1c(-c2ccc(OC)cc2O)[nH]c2c(OC)ccc(OC)c2c1=O 141822126 KRDLFYZITUNBOK-UHFFFAOYSA-N 369.417 3.879 0 1 FHAF CN1C(=O)C[C@@](C)([C@@H]2C[C@H]2c2cccc(/C=C/c3ccccc3)c2)N=C1N 96932943 SDJNMEWNBCYQPV-XZIRCRIOSA-N 359.473 3.896 0 1 FHAF O[C@H](COc1ccc2[nH]c3ccccc3c2c1)CN1CCOc2ccccc21 96939739 YEYYCYXLMZEVRF-INIZCTEOSA-N 374.440 3.960 0 1 FHAF c1csc(-c2ccc3nnc(COc4ccnc5ccccc45)n3n2)c1 149424060 PYYIEFWBPGJGSP-UHFFFAOYSA-N 359.414 3.980 0 1 FHAF CCCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc21 653785961 XJCXUSKMRCOHME-UHFFFAOYSA-N 351.406 3.666 0 1 FHAF CCS(=O)(=O)c1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586922478 OSJSZLIMULOSTK-UHFFFAOYSA-N 358.316 3.580 0 1 FHAF CC(C)[C@]1(c2nccn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587754369 LXLCJDFLDXBSSO-DIFFPNOSSA-N 366.278 3.756 0 1 FHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(F)c(Br)c2[nH]1 587094250 OBHOULMPQXXWQX-RXMQYKEDSA-N 368.128 3.594 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3ccccc3cc2[nH]1 587230226 GSMLOSHFDPZBAV-IAGOWNOFSA-N 351.450 3.753 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3nc(O)oc3c1)(C(C)C)O2 587395383 QNUDMIVMUUKAOT-HXUWFJFHSA-N 352.390 3.941 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(C(F)(F)[C@@H](F)C(F)(F)F)[C@@H](C2)C3=O 587419318 FUEQTEWYABACKO-ZEGGKSINSA-N 354.246 3.737 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1C[C@@H](C(=O)O)C[C@@H]31 586990950 PAZNAGYJQBROPG-MISXGVKJSA-N 371.392 3.902 0 1 FHAF Cc1nc(N(C)C)ncc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587195453 VRQFWEOKYBKZNA-UHFFFAOYSA-N 366.650 3.810 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)ccc(C)c21 587486556 RPZNKPJSOCJCFT-OAQYLSRUSA-N 351.402 3.774 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn3nccc3c2)N1 587793059 JJHYHJYJBFNEHP-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF CCOC(=O)c1ccc2cc(Oc3ccnc(C(=O)NC)c3)ccc2c1 1772594281 SDNHBHGBIBEKDR-UHFFFAOYSA-N 350.374 3.563 0 1 FHAF COc1cc(/C=C/c2ccc3ccc(C(=O)O)c(O)c3n2)cc(OC)c1O 5853331 JAYZCPRQQOZLMY-ZZXKWVIFSA-N 367.357 3.532 0 1 FHAF O=C1CCN(CCc2ccccc2)CCN1CCSc1ccccc1 12474412 QSTHEHLQLQLRHU-UHFFFAOYSA-N 354.519 3.556 0 3 FHAF Cc1c(C(F)F)nn(-c2ccc(S(C)(=O)=O)cn2)c1-c1ccccc1 13588369 DZGZGVPXZYZFOM-UHFFFAOYSA-N 363.389 3.584 0 1 FHAF O=C(N[C@H]1CCc2ccccc21)[C@@H]1CC(Cc2ccccc2Cl)=NO1 14988878 WULZGBSJUQZIHY-OALUTQOASA-N 354.837 3.831 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(Br)c(Cl)c2)C[C@@H]2CC[C@@H]1N2C 169349251 CKYZQAZVIFDTJK-IDTSFGKNSA-N 372.690 3.842 0 1 FHAF CCN(C)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714330 YVIDYXUZAGTSTP-XMUBIYBFSA-N 358.526 3.737 0 1 FHAF CC(C)Oc1ccc(F)c(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)c1 204408850 GBEAMZUGEKTWKC-FQEVSTJZSA-N 364.436 3.921 0 1 FHAF CC(=O)Nc1ccc(CCCCN2CCN(c3ccccc3)CC2)cc1 1550803 FXONBFHZQONJHQ-UHFFFAOYSA-N 351.494 3.790 0 1 FHAF COc1ccc(CNc2ncncc2-c2ccccc2OC)c(OC)c1 4264509 HGRFORDIPQUPFN-UHFFFAOYSA-N 351.406 3.782 0 1 FHAF C[C@H](c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 26494844 KFEYPBZJPJJRFX-MRXNPFEDSA-N 369.896 3.830 0 1 FHAF COc1cc(C=Cc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 2356518410 OYGWLTZXZMVTET-UHFFFAOYSA-N 356.374 3.725 0 1 FHAF CCC(=O)N1c2ccccc2OC[C@@H]2CN(CCc3ccccc3)CC[C@@H]21 34065584 XJZCYMONKQXDLC-PMACEKPBSA-N 364.489 3.755 0 1 FHAF OCCOCCNc1cncc(Oc2ccc3oc4ccccc4c3c2)n1 82068538 OGTYSOHRCBHXMM-UHFFFAOYSA-N 365.389 3.589 0 1 FHAF O=C1NC(=O)/C(=C/c2ccc(OCCc3ccccn3)c(Cl)c2)S1 96282301 XXWDBJFUKCUJRJ-GDNBJRDFSA-N 360.822 3.680 0 1 FHAF CC[C@H](CN)[C@@H](C)Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96174983 LIVUQZJIYLMRNO-HUUCEWRRSA-N 361.449 3.697 0 1 FHAF CCCNC(=O)Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1 95785001 AYWHODWVPFOYJB-FQEVSTJZSA-N 354.475 3.534 0 1 FHAF CC(=O)c1ccc(O[C@@H]2C=C[C@H](c3ccc(Cl)cc3)O[C@H]2CO)cc1 253916629 WAARVUWZNIKQDS-AQNXPRMDSA-N 358.821 3.979 0 1 FHAF COc1ccc2c(c1)C[C@@H](Nc1cc(C)nc3nc(C(C)(F)F)nn13)CC2 2382223136 UXWIWOAVBAZMCB-AWEZNQCLSA-N 373.407 3.522 0 1 FHAF O=C(O)c1cc(Br)cc2nc(-c3cnc(Cl)s3)[nH]c12 587022941 GJLRBCCCBWEYAC-UHFFFAOYSA-N 358.604 3.801 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)cccc1-n1cccn1)[C@@H](C2)C3=O 587423997 MYGJYBFIVHZGLM-LHSJRXKWSA-N 364.376 3.683 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 586893977 XCDJJRPDFYREAK-JLTOFOAXSA-N 352.434 3.814 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC)cc(OC)c2[nH]1 586918674 ZQDPLIRDNDDLKR-QVKFZJNVSA-N 366.417 3.797 0 1 FHAF COc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1C 587005419 IDKQYJFPUGKOGM-UHFFFAOYSA-N 353.607 3.753 0 1 FHAF Cc1c(Br)cnc2[nH]c(C[C@H](N)c3ccccc3Cl)nc12 587058358 UIDOGAWEZKBBDC-LBPRGKRZSA-N 365.662 3.925 0 1 FHAF Cc1cnc(Cl)c2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3)nc12 587112285 RZDMVMDRBGBTTA-UHFFFAOYSA-N 368.746 3.869 0 1 FHAF O=C1c2ccc(O)cc2OC2(C[C@@H]3CCC[C@H](C2)N3)[C@H]1c1ccc(F)cc1 587353705 ZWRVUFOEMZCHPT-JKMQDFRJSA-N 367.420 3.934 0 1 FHAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587195245 HCNWSXJQQZRQSY-MRXNPFEDSA-N 363.509 3.533 0 1 FHAF CCn1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587754470 DOSLBYRYEWCPHE-BTDLBPIBSA-N 366.278 3.911 0 1 FHAF COc1ncc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572288 VAXKTHVATDERBY-LPHOPBHVSA-N 367.332 3.638 0 1 FHAF O=C1COc2cc3[nH]c(-c4cccnc4NCc4ccccc4)nc3cc2N1 587230797 ZQCZFCBSKMOSRX-UHFFFAOYSA-N 371.400 3.568 0 1 FHAF O=NCc1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1 587191372 ZAUKAPVSXODBCS-UHFFFAOYSA-N 360.167 3.957 0 1 FHAF CCOC(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587175557 ZRBOYCLWIJVXDV-FQEVSTJZSA-N 368.364 3.507 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1Cc1ccc(OC(F)(F)F)cc1 587651809 PAKPPDLBCKXAOS-UHFFFAOYSA-N 354.715 3.997 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ncccc2[nH]1 587585971 AFAVQIXJLYDDHR-RXVVDRJESA-N 358.353 3.971 0 1 FHAF Cn1c2c(ccc1=O)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587105479 AGCNQUAGYOAXRB-UHFFFAOYSA-N 364.404 3.911 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@]2(CCCC23CCOCC3)N1)C(F)(F)F 962729866 KDEZOWSYTINEOU-YJBOKZPZSA-N 353.384 3.508 0 1 FHAF Cc1[nH]nc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1Cl 962695876 GFKFZUUBWUASJN-PIGZYNQJSA-N 351.878 3.964 0 1 FHAF Cn1c(=O)n(C)c2cc([C@H]3NCCc4cc(-c5ccccc5)ccc43)ccc21 962657320 AQXZADGITVJJGQ-HSZRJFAPSA-N 369.468 3.779 0 1 FHAF CCn1c(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc2sccc21 5036521 RCHFQHJGCPSAEK-GFCCVEGCSA-N 356.447 3.985 0 3 FHAF O=C(O)c1cccc(Cc2c(N3CCCCC3)nn3cc(Cl)ccc23)n1 203415744 LBEOBWMKGXKIMY-UHFFFAOYSA-N 370.840 3.662 0 1 FHAF CCC/C=C/COCC(=O)Nc1cccc(-c2nc3cccnc3[nH]2)c1 1857583562 ZQFNQXOCXILHCU-SNAWJCMRSA-N 350.422 3.936 0 1 FHAF COc1cc(C(=O)c2cnc(-c3c[nH]c4ccccc34)[nH]2)cc2c1OCO2 1857631182 LNQWWSVECXWGBC-UHFFFAOYSA-N 361.357 3.526 0 1 FHAF CN[C@@H]1[C@H]2CC[C@@]34[C@@H](O)C[C@@]5(C)CCC[C@@](O)(C5)[C@@]3(C2)C[C@]42CCC[C@H]12 2356356144 JKQIHFCAOYBZNP-VEEBNAQPSA-N 359.554 3.627 0 1 FHAF CC=C1[C@H]2C[C@@H]3c4c(c5cc(O)ccc5n4[C@@H](C2)O[C@@H]1OC)CCN3C 2356524490 GNHJRZWCDXRDDL-QGNUQYOGSA-N 354.450 3.734 0 1 FHAF CC(C)c1ccccc1NC(=S)OCCN1C(=O)c2ccccc2C1=O 28521468 SBWBWDSXGDVJFO-UHFFFAOYSA-N 368.458 3.820 0 1 FHAF O=C(C1=C(c2ccccc2)CCN1C(=O)c1ccccc1)N1CCCCC1 72176217 VLGGADZNRKZXTC-UHFFFAOYSA-N 360.457 3.956 0 1 FHAF C=CCOc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@H](C)C(=O)N1CCCC1)CC2 4222592 WWJNGPMTEMSZSX-RRMPHLOHSA-N 357.494 3.723 0 1 FHAF biogenic COC(=O)C1=C2[C@@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC(=O)C1 85844948 JHCOOMLHVRTLHK-NWZZKEMCSA-N 362.466 3.603 0 1 FHAF c1cc(-c2nnc(-c3ccc4[nH]cc(-c5cncc(C6CC6)n5)c4c3)o2)[nH]n1 145401032 UYQKRAKNSZLAGM-UHFFFAOYSA-N 369.388 3.942 0 1 FHAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)NC1CCCC1)C2 25206695 PDEJFNCQEJWTPK-GDBMZVCRSA-N 373.493 3.567 0 1 FHAF biogenic Fc1cc(-c2nc3c(c(N4CCOCC4)n2)CSC3)c(F)cc1Cl 95575531 LPBQYGYTWQWGPW-UHFFFAOYSA-N 369.824 3.659 0 1 FHAF O=C(O)c1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144818938 AZWVTJNBRUCBCD-SFHVURJKSA-N 372.302 3.620 0 1 FHAF Oc1ccc(-c2ccccc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 586897961 BNUUYAKIAKWSNA-UHFFFAOYSA-N 354.373 3.578 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(C(F)F)n2)N1 587716393 IYNVNSIVUUHTBW-UHLUBPPHSA-N 360.177 3.803 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc3cc(Cl)ccc3n1C)O2 587380453 UZBOPECWLBQEBJ-IBGZPJMESA-N 355.825 3.998 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccn([C@@H]3CCCCO3)n1)CC2=O 587476927 SEFSDCRVDASZPB-OALUTQOASA-N 356.422 3.947 0 1 FHAF CC(=O)C[C@@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587719668 LLZWQJQLRUYIDI-NXSYQRQQSA-N 350.178 3.562 0 1 FHAF CCCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587760713 QCBALNARKPDEIN-QLJPJBMISA-N 352.251 3.818 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)cc1OC(F)(F)F)O2 587383827 WIQUFNMQWOZFIH-AWEZNQCLSA-N 353.296 3.888 0 1 FHAF Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 587660259 PQPKNXLRTBFUAC-UHFFFAOYSA-N 359.360 3.595 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2c(c1)OCCO2 587871021 XDGHSVGUOSIJSB-UHFFFAOYSA-N 368.364 3.548 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(F)cn1 587865112 VFXUQWZOJSELJQ-UHFFFAOYSA-N 352.291 3.886 0 1 FHAF COC(=O)c1cccc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12 587396594 MMOXGNFSHNXXFF-KRWDZBQOSA-N 350.374 3.552 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1 587236081 YKFVOJLZMLQODU-CHWSQXEVSA-N 359.426 3.812 0 1 FHAF COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)[C@H](C)F)[nH]c4c3)o2)cc1 587122617 FQMADWOBGHUCGA-MGPLVRAMSA-N 367.384 3.646 0 1 FHAF Cc1cc(Br)ccc1OCc1nc2cc3c(cc2[nH]1)OCO3 586980806 FXTIGEPXRIZZAH-UHFFFAOYSA-N 361.195 3.942 0 1 FHAF COc1ccc(-c2ccnc(-n3ncc4ccc(Cl)cc4c3=O)n2)cc1 587652327 CDQCTCQLTAMMHY-UHFFFAOYSA-N 364.792 3.505 0 1 FHAF O=C(O)c1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1F 587119771 WZEPBFHZSAKTSE-UHFFFAOYSA-N 368.290 3.541 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1cnoc1)(c1ccccc1O)CC2=O 587485154 PUAJSULTENSWLU-OAQYLSRUSA-N 365.385 3.947 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(C=O)n(C)c1)[C@@H](C2)C3=O 587432212 VBWOAIDHVFQUGD-CVDCTZTESA-N 373.408 3.537 0 1 FHAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)c(F)cc2[nH]1 587094926 WLSNQDMUHACQSQ-YFKPBYRVSA-N 368.128 3.594 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(/C=C/C(=O)Nc3ccc(F)cc3)nc2c1 587167402 SNVQRICEKHTEIN-VOTSOKGWSA-N 373.771 3.794 0 1 FHAF Cc1cc(-c2nc3c(O)ncnc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144655 MORKDPZRICJMOB-UHFFFAOYSA-N 364.336 3.538 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1cc(Cl)sc1Cl)O2 587409128 GSDLDLAWEGXOEJ-HNNXBMFYSA-N 372.229 3.891 0 1 FHAF CCOC(=O)[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419905 NMXVSAGSMDRHFY-FOIQADDNSA-N 372.804 3.555 0 1 FHAF Cn1cnc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587580687 YYHALKBSYCZGER-DENIHFKCSA-N 372.380 3.982 0 1 FHAF COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1N 587747224 KTKZXQBQQSCYBD-VVVCHXIZSA-N 365.246 3.803 0 1 FHAF CCn1cc([C@]2(CC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587764130 OIZPMAVBNODEQV-GTNSWQLSSA-N 366.278 3.992 0 1 FHAF N[C@H](Cc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1)N=O 958524358 PGCBTPKAXJQZFR-AWEZNQCLSA-N 359.735 3.927 0 1 FHAF C[C@@H]1C[C@]2(CS1)N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962922344 RGUMTCMKZFZCBN-CCMJGWDWSA-N 371.458 3.504 0 1 FHAF COc1ccc2nc(Cl)c([C@@H]3NCCc4c3c(C(C)C)nn4C)cc2c1 962905050 CJUJZVAQRXAHTK-IBGZPJMESA-N 370.884 3.989 0 1 FHAF COc1ccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)cc1 13474341 OYSSILXTMOYKFA-UHFFFAOYSA-N 353.418 3.719 0 1 FHAF O=C1c2c(O)cccc2Cc2ccc([C@@H](Cc3ccccc3)C(=O)O)c(O)c21 13606158 RJUPJWSHXZCUGL-QGZVFWFLSA-N 374.392 3.644 0 1 FHAF C[C@H]1CCC(=O)N1c1ccc([C@@H](C)C(=O)Nc2cc(C3CC3)[nH]n2)cc1 13642954 RFPKDRLIUJAMFY-QWHCGFSZSA-N 352.438 3.545 0 1 FHAF C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CCCc2ccccc2)CC1 13742662 ICVMSJILXTXUTA-PGRDOPGGSA-N 369.505 3.664 0 1 FHAF NC1CCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)CC1 1857615175 GQWABPSDLZVSLZ-UHFFFAOYSA-N 351.406 3.758 0 1 FHAF Cc1cc(NC(=O)c2sc3ncnc(N4CCCC[C@H]4C)c3c2C)no1 2924205 RROYXKAOVXVTGW-SNVBAGLBSA-N 371.466 3.927 0 1 FHAF Brc1cccc(COc2ccc3c(c2)-c2nncn2CCO3)c1 53297755 YEEQTEVKOYEEOL-UHFFFAOYSA-N 372.222 3.679 0 1 FHAF CCOc1ccc(C[C@@H]2CC(c3ccc(OC)cc3OC)=NO2)cc1OC 103213597 SMZAMPMSBLUVOI-MRXNPFEDSA-N 371.433 3.847 0 1 FHAF CONC(=O)[C@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 103176989 NVAHIMFGCBTOOZ-VIFPVBQESA-N 357.193 3.626 0 1 FHAF O=C(O)C[C@@H]1C[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)c(F)c1 28648137 ZWPCJINLOLYZBQ-RDJZCZTQSA-N 370.424 3.779 0 1 FHAF CC(C)C=Cc1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O 2356615250 BEALEKDGCXYWLB-UHFFFAOYSA-N 354.358 3.952 0 1 FHAF COC(=O)c1nc(-c2ccsc2)n(-c2ccc(C(F)(F)F)cc2)n1 72178823 ITNFOBWPOTYPQA-UHFFFAOYSA-N 353.325 3.801 0 1 FHAF CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Oc1ccc(Cl)cc1 84758110 VQDPLYDGFIHUGY-KRWDZBQOSA-N 359.809 3.829 0 1 FHAF Cc1cc(Sc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C 220976434 UNRHEJKHGKMBNZ-UHFFFAOYSA-N 373.865 3.557 0 1 FHAF C[C@@H](c1ccc(Br)cc1)N1CC[C@]2(CC[C@H](O)C2)OC1=O 146338980 PBKZQTKWICVGPX-PJODQICGSA-N 354.244 3.636 0 1 FHAF CCOc1ccccc1-c1ccc2nc(NC(=O)NCCCO)sc2c1 95603225 FSILAVJWZRLDRJ-UHFFFAOYSA-N 371.462 3.866 0 1 FHAF CC(C)=CCC/C(C)=C/COc1ccc(/C=C2/NC(=O)[C@H](C)NC2=O)cc1 238785852 WJYQOEOGXGQMEU-MSODBRDKSA-N 368.477 3.734 0 1 FHAF CCC(=O)NCCCc1cc(OC)ccc1CCc1cccc(OC)c1 95583242 IOONFKRLIIMOMT-UHFFFAOYSA-N 355.478 3.948 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)nc1 587552923 TVDIPWCUQCBQQY-PBHICJAKSA-N 354.749 3.539 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)OC(C)(C)C)CC1)O2 587396701 VRSWDZJEEZLKGD-FQEVSTJZSA-N 360.454 3.702 0 1 FHAF CC[C@]1(c2cnn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587763598 KJDGHDYKDLUUKO-DYZYQPBXSA-N 366.278 3.818 0 1 FHAF COC(=O)c1cc(-n2c(O)cc(C)c2OC)c(Cl)cc1Br 587937327 QBONVZZQZIULQQ-UHFFFAOYSA-N 374.618 3.702 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(O)c1)[C@@H](C2)C3=O 587412943 KNAQCPPIHAHMTL-APPDUMDISA-N 361.191 3.652 0 1 FHAF COc1ccc(C)cc1NC(=S)n1ncc2ccc(Cl)cc2c1=O 587655002 RLMLNMZCLBDGHN-UHFFFAOYSA-N 359.838 3.612 0 1 FHAF COc1cc(-c2nc3cc(C)cc(F)c3[nH]2)ccc1OCC(=O)NC(C)C 587227131 ZNCIFOUPXUKZEB-UHFFFAOYSA-N 371.412 3.589 0 1 FHAF CC(C)(C)OC(=O)NC1([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587508688 BABNRNKVTJDWMA-QGZVFWFLSA-N 357.450 3.957 0 1 FHAF CCCn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587582082 NUSJBKUQTRENOJ-GHTZIAJQSA-N 364.401 3.876 0 1 FHAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587196626 WLQCZQDJTHJSRM-OAHLLOKOSA-N 352.482 3.721 0 1 FHAF CCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2ccc([C@H](C)CC)cc12 587641834 HRQXNEVCDHMMEH-KUHUBIRLSA-N 370.493 3.998 0 1 FHAF COc1cc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2cn1 587020403 RFQVXABEQPINFO-UHFFFAOYSA-N 352.419 3.977 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(F)c(F)c(C=O)c(F)c1F)[C@@H](C2)C3=O 587424887 XFYNGSWDSHSRFP-ASCAZGACSA-N 366.266 3.553 0 1 FHAF COc1cc(C)nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587590630 ZKHVCOJYRXXXRV-NQIIRXRSSA-N 363.369 3.807 0 1 FHAF CCOC(=O)c1ncc(Cl)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587380225 RAIYIMBAUABJIK-IBGZPJMESA-N 374.824 3.683 0 1 FHAF CC[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4CC1)[C@@H]32 685935753 ARQOGCYMPUOVHK-VXSCBNMQSA-N 354.494 3.726 0 1 FHAF biogenic,in-vitro CC(C)=C1Oc2c(ccc(O)c2C)[C@]12c1ccsc1CCN2C(N)=O 962712040 NCPUEMARRZOIET-LJQANCHMSA-N 356.447 3.629 0 1 FHAF CCc1cc(Cc2ccc(CC(N)=O)cc2)nc(-c2cccc(Cl)c2)n1 143245375 FUJWOWGJBPZCTE-UHFFFAOYSA-N 365.864 3.978 0 1 FHAF c1ccc(CC2CCN(CCCn3nnnc3-c3ccccc3)CC2)cc1 1772656125 CGRBYZMTNJBCOL-UHFFFAOYSA-N 361.493 3.685 0 1 FHAF CCc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)s1 13600522 LTWWWYOGCXIXGL-UHFFFAOYSA-N 350.447 3.584 0 1 FHAF CCc1ccc(-n2c(C)nc3c(sc4nccc(N(C)C)c43)c2=O)cc1 13676153 GRTPVLUWVUWRRC-UHFFFAOYSA-N 364.474 3.932 0 1 FHAF N=C(N)c1ccc2ncn(CC(=O)c3ccc(-c4ccccc4)cc3)c2c1 13835115 FLSZLISCSUXQSF-UHFFFAOYSA-N 354.413 3.870 0 1 FHAF COc1c2c(cc(O)c1-c1coc3cc(O)ccc3c1=O)OC(C)(C)CC2 15262020 IEJGJZLXEWWZHI-UHFFFAOYSA-N 368.385 3.983 0 1 FHAF endogenous,in-man NC1=N[C@@]2(c3ccccc3F)CO[C@@H](COc3ccccc3)C[C@H]2CS1 169711622 HVCHPAIGQLRCGM-NBQZKYEYSA-N 372.465 3.567 0 1 FHAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(Cl)cc2)cc1OC 203674726 DCKRUYAVEILBBV-DOTOQJQBSA-N 360.837 3.932 0 1 FHAF COc1ncccc1-c1cc(NC(=O)C2CCCCC2)c2nnc(C)n2c1 1857556163 JUOBEHQUKCDAJO-UHFFFAOYSA-N 365.437 3.627 0 1 FHAF COc1ccc(-c2csc(/C=C3\OC(=O)c4c3cc(C)nc4O)c2)cn1 1857573413 WNABQLJUODZRFQ-CHHVJCJISA-N 366.398 3.896 0 1 FHAF Cc1cccc(-c2ccc(OC[C@@H]3Cn4cc(C)c(=O)nc4O3)cc2)c1C 116406151 AJRROKWDGJEDCW-IBGZPJMESA-N 362.429 3.676 0 1 FHAF C[C@@H]1CC=CCCC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 255209322 FJVQHTGEXYKKBS-LLVKDONJSA-N 350.798 3.704 0 1 FHAF Cc1ccc(N2CCC(CCOc3ccc4oc(C)nc4c3)CC2)nn1 595123 YSISFFCWNVZQNJ-UHFFFAOYSA-N 352.438 3.920 0 1 FHAF CC(C)=CCc1cc2c(c3c1[C@H]1C[C@@H](C3=O)[C@@H]1C)OC(C)(C)[C@H](O)C2=O 2356326603 YRDFJEHXATZPAY-BEGDITCESA-N 354.446 3.846 0 1 FHAF CC[C@H]1CCCCN1CCCNc1nc2ccccc2n2c(C)nnc12 6781799 ZLIFTFYGNZDJRI-INIZCTEOSA-N 352.486 3.652 0 1 FHAF CN(C)c1ccc(-c2cnc3cc([125I])ccc3n2)cc1 101916368 VGDWTNPYLCZUAR-QZIRHQCUSA-N 373.214 3.967 0 1 FHAF COc1cc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc(OC)c1OC 29254726 YHPMSNPULLVNAA-PXNSSMCTSA-N 373.449 3.934 0 1 FHAF CCCCN(C=O)c1c(CC)nc2c(OCC(=O)C(C)(C)C)cccn12 61930576 IVHYUHHBFARLFR-UHFFFAOYSA-N 359.470 3.654 0 3 FHAF Clc1ccc(Br)cc1-c1nnc2ccc(-n3cccc3)nn12 82060503 SBRADBDGDJYLBN-UHFFFAOYSA-N 374.629 3.998 0 1 FHAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(Cl)ccc2O[C@H]31 220263417 NXHXSDFCRAAZFW-LJQANCHMSA-N 354.793 3.919 0 1 FHAF C/C=C\c1cc(OC)c2c(c1)[C@@H](CO)[C@H](c1cc(OC)c(O)c(OC)c1)O2 238787991 NIYWVYHPXJLJBK-VUTNTTQYSA-N 372.417 3.661 0 1 FHAF Cc1cccnc1C(=O)N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1 95586394 DSNCATNVELGAJX-IRXDYDNUSA-N 371.868 3.514 0 1 FHAF C[C@@H](Cc1cc2c(cc1O)OCO2)[C@H](C)Cc1cc2c(cc1O)COC2 40950748 NFRPGCQSGHWKCJ-OLZOCXBDSA-N 356.418 3.914 0 1 FHAF biogenic COc1ccc(/C=C/C2=NN(C(N)=S)[C@H](c3ccc(OC)cc3)C2)cc1 473137249 XHJMPFFFRUQWSJ-FOZGUINQSA-N 367.474 3.764 0 1 FHAF O=C(NCc1ccoc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 299832924 XLPLWLRIIFVDMU-UHFFFAOYSA-N 370.384 3.558 0 1 FHAF CCO[C@@H](CC(=O)O)c1ccc(OCc2cccc(OCOC)c2)cc1 473111432 ZKVWPGFKFZFVAJ-IBGZPJMESA-N 360.406 3.801 0 1 FHAF CC(C)(O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1 653718330 BFSZGLRGQFVSKC-UHFFFAOYSA-N 373.396 3.672 0 1 FHAF CN1CCN(c2ccc3nc(/C=C\c4ccc(F)cc4F)[nH]c3c2)CC1 587150050 JHVSEJBTFWEOOR-CLTKARDFSA-N 354.404 3.763 0 1 FHAF CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587399710 LDBQFBXDKMKPLS-QRQCRPRQSA-N 365.429 3.878 0 1 FHAF CCOc1ccccc1OCc1nc2c(F)cnc(Br)c2[nH]1 587780370 QWYXTTNHEOPHJL-UHFFFAOYSA-N 366.190 3.837 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(=S)N(C)C)cc1)O2 587410861 QKARQUXJOWFMSK-QGZVFWFLSA-N 356.447 3.509 0 1 FHAF CSc1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2c1 586940824 HBDJWIBWYYTTDK-MDZDMXLPSA-N 373.503 3.684 0 1 FHAF COc1ccc(/C=C/Cc2nc3cc(Br)ncc3[nH]2)c(OC)c1 587928440 CMWNNVWJAZAJPB-ONEGZZNKSA-N 374.238 3.994 0 1 FHAF COC(=O)c1ccc(Cl)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587423690 VKRTZPGVUVPIRQ-ACJLOTCBSA-N 358.777 3.624 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3cc(C)nn3c1C)CC2=O 587481638 HANOFDKCEBPUEI-OAQYLSRUSA-N 365.433 3.885 0 1 FHAF COc1c(Cc2ccccc2)cc(O)n1-c1ccnc(Br)c1 587941416 UZKVXQHEJNTWHO-UHFFFAOYSA-N 359.223 3.940 0 1 FHAF CCOC(=O)C(=O)[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587106555 LINAMRJDBBXUOC-MRXNPFEDSA-N 371.392 3.608 0 1 FHAF O=C(O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587530814 HRNCSHWGZAAOJE-JOCHJYFZSA-N 362.381 3.787 0 1 FHAF CCc1ccc2occ([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(=O)c2c1 587453292 NLYKGQUVGDFKIU-QRQCRPRQSA-N 362.381 3.853 0 1 FHAF CCOC(=O)c1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587232976 GYFAZIXFSIIICC-KBPBESRZSA-N 373.453 3.900 0 1 FHAF O=C1C[C@@]2(CCN(Cc3ccccc3)C2=O)Oc2c1ccc1c2CCCC1 587514645 OERQJUSUCZPBKL-HSZRJFAPSA-N 361.441 3.702 0 1 FHAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(N)c(N)cc2[nH]1 587189906 FCBUHJHQPHZWBK-QGZVFWFLSA-N 367.453 3.684 0 1 FHAF Brc1c[nH]c2nc([C@@H]3SCCc4sccc43)nc-2n1 587036431 BDYVWQFSUUHWRQ-SECBINFHSA-N 353.270 3.507 0 1 FHAF Cc1c(-c2nc3c(Br)ncc(F)c3[nH]2)oc2c1[C@@H](O)CCC2 586905432 OGPPSEHLCLYMRV-QMMMGPOBSA-N 366.190 3.798 0 1 FHAF CN(C)c1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cn1 962713644 SHTUSWVIXRIBKE-QRWLVFNGSA-N 357.498 3.740 0 1 FHAF CCOC(=O)c1cc2c(n1C)-c1nc(Nc3ccccc3)ncc1CCC2 1772655744 ASLDJSASBYHSQR-UHFFFAOYSA-N 362.433 3.891 0 1 FHAF O=C(O)Cc1ccc2c(c1)[C@H]1C[C@@H](O)[C@H](CC[C@@H](O)C3CCCCC3)[C@H]1C2 13899156 DVRDZZTXLYQUJB-MSEOUXRUSA-N 372.505 3.672 0 1 FHAF CCCCOc1cccc(C(F)(F)CNCC(=O)N2CCCCC2)c1 206119953 RLNUZVOPYFZQKR-UHFFFAOYSA-N 354.441 3.559 0 1 FHAF COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1 203413066 NXMSMRHZCGABAE-UHFFFAOYSA-N 359.385 3.694 0 1 FHAF C[C@@H](O)C(=O)N[C@@H]1CCCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205714777 PNJHYXMMSRJZFW-PIGZYNQJSA-N 364.367 3.642 0 1 FHAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCc1ccccn1 1857571399 SIBJLFSYPWVRCQ-MDZDMXLPSA-N 354.413 3.955 0 1 FHAF O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773432 QAYRQZDZKUIUID-CVEARBPZSA-N 370.380 3.774 0 1 FHAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4o3)C2)cc1 2356301731 CTSMAVLYJNXCMS-VQIMIIECSA-N 356.397 3.576 0 1 FHAF O=C(O)C[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1cncnc1 3962990 DMDDFJFCCZFCKL-KRWDZBQOSA-N 368.481 3.981 0 1 FHAF COc1ccccc1CN1C[C@H](F)[C@@H](OCc2nc3ccccc3o2)C1 2356360526 HYTBLUFIXTWEPB-KXBFYZLASA-N 356.397 3.576 0 1 FHAF CC(C)(C)C(=O)Sc1ccccc1C(=O)N(CC(=O)O)C1CCCC1 26990994 CJQXQBCAPHJCBZ-UHFFFAOYSA-N 363.479 3.821 0 1 FHAF CN1CC[C@]23Cc4c(c5ccccc5n4C)C[C@]2(Cc2ccc(O)cc23)C1 58598780 WDTIJGFXRJTCSB-DNQXCXABSA-N 358.485 3.799 0 1 FHAF COC(=O)CC1=C[C@H]2C[C@H]3[C@@](C)(CCC4=CC(=O)OC4)[C@@H](C)CC[C@]13CO2 2356598394 OPAXJAJPWSLTMT-OOCLQOMXSA-N 374.477 3.581 0 1 FHAF COC(=O)C=C(C)CC[C@@]1(C)[C@@H]2CCC=C(CO)[C@@]2(C)[C@@H](O)C[C@H]1C 2356685869 JBUAQUFKSAIGHN-LFERKSGWSA-N 350.499 3.628 0 1 FHAF CSC=CC(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]2(C)[C@@H]1C 2356780971 HFDMONMBQKMBPO-PNHMNYGYSA-N 350.480 3.863 0 1 FHAF C[C@]12c3[nH]c4ccccc4c3C[C@@H]1CC[C@]1(O)C3=CC(=O)O[C@@H]3CC[C@@]21C 2356841210 NFTGNVPOAXTQOU-HWNHVINESA-N 363.457 3.775 0 1 FHAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC(c5ncc[nH]5)CC4)c23)c1 210755880 KGZIFOHLKHKAGT-UHFFFAOYSA-N 369.432 3.604 0 1 FHAF CC(C)N1N=C(c2ccc(OCCCN3CCC[C@H]3C)cc2)CCC1=O 73223312 ZNBDRTRBCPUCGU-QGZVFWFLSA-N 357.498 3.675 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1 39160691 IADLZBYSIQTFDE-HYTNDUNFSA-N 358.478 3.853 0 1 FHAF COc1cccc(-c2ccc3c(c2)[C@@H]2C[C@H]4[C@@H](CN2CC3)[C@H](C)ON4C)c1 199739978 BQSBXTSHCWLFBK-OBAATPRFSA-N 364.489 3.915 0 3 FHAF COC(=O)c1c(C)cc(OC)c2c1oc1cc(OC)c(C(=O)O)c(C)c12 238765239 IGHSONVVSAGQIS-UHFFFAOYSA-N 358.346 3.705 0 1 FHAF COC(=O)[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1 238731319 KAQREUHMTOCSOV-APMMZXSISA-N 358.434 3.681 0 1 FHAF COc1ccccc1-c1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O 96939252 AOGXDFPBSHYUJB-UHFFFAOYSA-N 374.440 3.673 0 1 FHAF CCC[C@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23 95554354 MKWYNMOMAKOQKY-HNNXBMFYSA-N 354.450 3.798 0 1 FHAF Nc1ncccc1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587253425 HYXFPRUATUNSSI-UHFFFAOYSA-N 371.160 3.912 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CCc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587453520 OZFJZOZLINOMBR-YCRPNKLZSA-N 352.386 3.563 0 1 FHAF O=C(O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005614 NAQYAUCXZYXURR-UHFFFAOYSA-N 352.575 3.739 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C=O)n(C)c2)N1 587753056 HMERBSWKQZNPMZ-QGHHPUGFSA-N 365.246 3.537 0 1 FHAF COC(=O)Nc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cn1 587245090 NUOPXPUEWZWJPP-UHFFFAOYSA-N 365.162 3.705 0 1 FHAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(C(=O)OC)c(OC)cc3[nH]2)n1 587079278 IGXBNRNZAHKCQA-VIFPVBQESA-N 362.817 3.846 0 1 FHAF O=C1C[C@@H](c2cnc(N3CCOCC3)s2)Oc2c1ccc1c2CCCC1 587535701 NRFPXQDSVMJMHK-KRWDZBQOSA-N 370.474 3.565 0 1 FHAF C[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@@H]1CC(=O)O)-c1ccccc1C4=O 586991292 SJEQVOAGXADRFF-WDEREUQCSA-N 359.381 3.902 0 1 FHAF NC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587076699 LSMYKSCNBSJOKG-UHFFFAOYSA-N 364.792 3.750 0 1 FHAF O=C(O)C[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348143 CJVSLXSPYMFOFA-VYAXVDJTSA-N 370.376 3.904 0 1 FHAF Cc1c(Br)cnc2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc12 587158917 ZBZBRKPUWZGKPY-MGPLVRAMSA-N 361.218 3.509 0 1 FHAF CSc1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587614177 RBFYCTMSWHMTSE-MAUKXSAKSA-N 366.398 3.607 0 1 FHAF C[C@H]1C[C@@]2(CC[C@H]1C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 587827733 QHTKDTZYQZYORF-MEAVBRJHSA-N 370.262 3.839 0 1 FHAF Cc1nc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2cc1Br 587037115 SDIXQLJIAPWMBK-LBPRGKRZSA-N 364.268 3.947 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cn(CC(F)F)nc1C)CC2=O 587466406 NSPLZMJEFAZRRX-INIZCTEOSA-N 350.365 3.821 0 1 FHAF OC1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CCC(C(F)(F)F)CC1 587127477 YTAXWDQSZAPCBN-UHFFFAOYSA-N 364.270 3.825 0 1 FHAF CC(C)n1nccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582991 SKGYIYHJLFNDFB-YLJYHZDGSA-N 350.374 3.873 0 1 FHAF N=c1[nH]ccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541040 DDGUHQMQWNLKLO-MAUKXSAKSA-N 368.776 3.556 0 1 FHAF COC(=O)C1(C)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346861 CCXYIEGBWLLVHD-MDMXATFFSA-N 370.376 3.602 0 1 FHAF COc1ccc2c(c1)[C@H](c1cc(OC)c(OC)c(OC)c1)N[C@@H]1CC[C@H]21 962990883 CHFKUMLJAMFOFQ-MDYRTPRTSA-N 355.434 3.660 0 1 FHAF C[C@H](CC(=O)O)[C@@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962960295 SSAMCHXVLXOQHV-SJKOYZFVSA-N 371.399 3.683 0 1 FHAF O=C(N[C@H]1CCCc2ccccc21)c1cccnc1NCc1ccncc1 1772644579 VLLSYRYJBGNVTH-FQEVSTJZSA-N 358.445 3.896 0 1 FHAF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@H]1OCc1ccccc1 5963875 NFLMCGZVUQHVLD-AZUAARDMSA-N 352.386 3.583 0 1 FHAF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccnc(Cl)c2)cc1 13685968 PCMWSMMFLPUBKG-UHFFFAOYSA-N 354.845 3.531 0 1 FHAF FC(F)(F)c1cccc(C2=Nn3c(nnc3-c3cccnc3)SC2)c1 4598314 YLJNTQDPVVKKHY-UHFFFAOYSA-N 361.352 3.717 0 1 FHAF CC(C)c1nc#cn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 27443363 GKUSWSUNBJAUKR-HXUWFJFHSA-N 358.441 3.909 0 1 FHAF O=C(C1CCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 100099774 CEMIDAYJCBZLPS-AERCQKQUSA-N 350.437 3.559 0 1 FHAF C[C@@]1(C(=O)Nc2ccc3[nH]cnc3c2)CCN1C(=O)C/C=C/c1ccccc1 61902965 OQJQREJQOOOXSO-PABBZOGXSA-N 374.444 3.596 0 3 FHAF COc1cc(OC)c2c(c1C=C[C@@H](C)O)O[C@@H](c1ccccc1)CC2=O 2356668662 XNQZHTLUJNFMIV-CXAGYDPISA-N 354.402 3.804 0 1 FHAF CCCC[C@H](O)CC=CCCCCCCCCC(=O)OC[C@H](O)CO 2356804582 ZGDOOBRKAZVQOQ-RBUKOAKNSA-N 358.519 3.501 0 1 FHAF O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 72181118 DXINWPCQBUXMER-STJBOKOVSA-N 350.414 3.529 0 1 FHAF COc1ccc(C(=O)CSc2cnnn2-c2ccccc2C)cc1OC 49034474 LBWBRMRSMCYXAL-UHFFFAOYSA-N 369.446 3.568 0 1 FHAF CCN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc(C)c1 82147378 NFJVHIIJYQJMDF-UHFFFAOYSA-N 352.482 3.780 0 1 FHAF NCCOc1c(-c2cccc(C(F)(F)F)c2)[nH]c(=O)c2cc(F)ccc12 149157531 XIAODRJBQHVZIE-UHFFFAOYSA-N 366.314 3.691 0 1 FHAF O=C(Cc1cccc(Cl)c1C(F)(F)F)N[C@H]1COc2ncccc21 146587451 AZKNCGJKZAQWKA-LBPRGKRZSA-N 356.731 3.546 0 1 FHAF CCCOC(=O)N1C(=O)[C@@](CC)(c2ccc(C)cc2)N1C(=O)OCCC 95567980 BCBBCONYOKVIID-LJQANCHMSA-N 362.426 3.753 0 1 FHAF Cc1ccc(Nc2nc(-c3ccccn3)cc(N3CCC[C@H](O)C3)n2)cc1 230560550 WZMYLPAUUZGUBC-KRWDZBQOSA-N 361.449 3.552 0 1 FHAF O=C(c1ccccc1)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)ccc2n1O 377836373 XZSUXJBOFRLIBW-UHFFFAOYSA-N 369.706 3.696 0 1 FHAF O=C(O)[C@H]1CC[C@@H](Nc2ncnc3ccc(-c4cncs4)cc23)CC1 299851999 LVKIZZWITJCZAO-BJHJDKERSA-N 354.435 3.809 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2N)N1 587730798 KTTZHEPIFORDHY-VPTHRUTESA-N 353.210 3.933 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(O)cc1OC)CC2=O 587479032 LZVWFZRXQBPWIQ-NRFANRHFSA-N 372.417 3.948 0 1 FHAF C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587516229 AVJNCXLTPVXLTH-JTUHZDRVSA-N 369.505 3.790 0 1 FHAF C[C@@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)N(C)C 587192710 ZSNUCUCXXLKWIN-ZETCQYMHSA-N 350.182 3.837 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1C[C@H](C(=O)O)C[C@H]31 586990951 PAZNAGYJQBROPG-MJVIPROJSA-N 371.392 3.902 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1CCO[C@H]1C21CCC1 587608074 JIGPUHZHUOZMOS-AWSYCSROSA-N 364.397 3.682 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587235271 KAPSRYNVNMKPMY-GHMZBOCLSA-N 371.441 3.696 0 1 FHAF OC1(c2nc3ccnc(Br)c3[nH]2)CCC(C(F)(F)F)CC1 587124494 AMVZIJPPNYITJQ-UHFFFAOYSA-N 364.165 3.661 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1cccnc12 587584916 BYJSHTLFKCUKPS-XMSQKQJNSA-N 359.381 3.981 0 1 FHAF COc1cccnc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774210 UAGUHGRGOZYQCY-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1N1CCOCC1)O2 587377715 XTPWHTBMTNZNHF-GOSISDBHSA-N 372.852 3.774 0 1 FHAF CC(C)[C@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587198386 ZYXHTOWKSYSSRT-CQSZACIVSA-N 365.405 3.964 0 1 FHAF CN(C)c1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569091 FAXWLKSDZNACNJ-PXNSSMCTSA-N 362.385 3.556 0 1 FHAF CCC[C@]1(C2CCNCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595404 NLAUAUZEKKMZEV-DENIHFKCSA-N 367.445 3.892 0 1 FHAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(O)cccc2[nH]1 587000645 RYKCLHNKOXWXQB-UHFFFAOYSA-N 373.162 3.510 0 1 FHAF Cc1cncc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 587019749 VDEGWMXNSFKTPP-UHFFFAOYSA-N 355.448 3.627 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc(S(C)(=O)=O)c2)N1 962962519 WCLCMOPVUNLKEV-QVKFZJNVSA-N 368.502 3.759 0 1 FHAF NC(=O)c1cccc(C2C[C@H]3CC[C@H](C2)N3CC(=O)C2CCCCC2)c1 1772619178 GQBVAINCXLEUTG-WOJBJXKFSA-N 354.494 3.645 0 1 FHAF COc1cc2cc3c(c(O)c2c(O)c1/C=C/C(C)C)C(=O)C[C@](C)(O)C3 14883290 QEMNROQOCQGNHL-YAQIIAKESA-N 356.418 3.809 0 1 FHAF biogenic,in-vitro Cc1cnc(-c2cc(Cl)ccc2F)cc1-n1c(=O)n(C)c2cnccc21 1857577525 WWSVFSVYBGWGPQ-UHFFFAOYSA-N 368.799 3.887 0 1 FHAF CNC(=O)c1cc(Oc2ccc(C3=NN[C@H](c4ccccc4)C3)cc2)ccn1 1857646716 YKZLHXLTOUOHNC-IBGZPJMESA-N 372.428 3.672 0 1 FHAF C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)C1 3911261 BIKFULWQTVUENO-GASCZTMLSA-N 369.490 3.897 0 1 FHAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]([C@H](O)CCC(C)=O)C2=O 2356427653 IQBWPVDJDAJSKO-BEFAXECRSA-N 362.466 3.825 0 1 FHAF O=C(Nc1ccc(Br)cc1)c1c(O)c2ccccc2oc1=O 26988698 SHAJRGVRCMPKAT-UHFFFAOYSA-N 360.163 3.513 0 1 FHAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3C[C@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356760233 QGTYZUYXCSOOSC-CYSKRYSLSA-N 350.474 3.866 0 1 FHAF O=C(C1CC1)N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72101196 HJHJRMWVMHSGCA-IBGZPJMESA-N 373.859 3.518 0 1 FHAF O=C(O)C[C@@H](Cc1nc2cc(C(=O)O)ccc2[nH]1)c1ccc(Cl)cc1 72118929 KMIIQDQYURROPL-GFCCVEGCSA-N 358.781 3.716 0 1 FHAF COC(=O)c1c(N)nnc2c(C)c(C)c(O)c(Sc3cccc(C)c3)c12 34816875 UOVDGVUDOZXUJU-UHFFFAOYSA-N 369.446 3.781 0 1 FHAF Cc1ccccc1-c1nnc(NC(=O)c2ccc3c(c2)OCCO3)s1 43060854 BAIUZEKJBYRNJE-UHFFFAOYSA-N 353.403 3.537 0 1 FHAF Nc1cnc(-c2ccc(-c3ccccc3-c3cncc(N)n3)cc2F)cn1 224769918 MMRDVQQARCDECT-UHFFFAOYSA-N 358.380 3.571 0 1 FHAF O=C(C1CC1)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccccc1 49071218 OARCFEGWQSUJNQ-QHCPKHFHSA-N 363.457 3.744 0 1 FHAF CC(C)c1nc2c(NCc3ccc(F)cc3)ncnc2n1C[C@H]1CCCO1 82185936 LRHCTJOHXFQZBE-MRXNPFEDSA-N 369.444 3.880 0 1 FHAF CC(C)CNc1ncnc2c1nc(-c1ccsc1)n2C[C@@H]1CCCO1 82177963 CIQXBQIXXGZOTM-AWEZNQCLSA-N 357.483 3.802 0 1 FHAF N#CC1CN(C(=O)CC2(c3ccc(F)cc3)C3CC4CC(C3)CC2C4)C1 145751846 VSDIOQPZNDOJEN-UHFFFAOYSA-N 352.453 3.892 0 1 FHAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@H](C)CN(C)C 299880321 MBYMWWBZTIIEEU-LSTHTHJFSA-N 359.514 3.767 0 1 FHAF O=c1sc2ccccc2n1CCCCN1CCN(c2ccccc2)CC1 299828972 YGSSTQOLKIKGCF-UHFFFAOYSA-N 367.518 3.665 0 1 FHAF O=c1c2cc3c(cc2ncn1Cc1ccc(-c2ccccc2)cc1)OCO3 653711491 LHQZQOZCHICSEL-UHFFFAOYSA-N 356.381 3.841 0 1 FHAF Brc1cccc(-c2noc(Cc3c[nH]c4ccccc34)n2)n1 653706075 ZXEUQIPFXRYWPA-UHFFFAOYSA-N 355.195 3.966 0 1 FHAF CC(=O)c1cc(-c2cccc(Cl)n2)c2cc(N3CCOCC3)ccn12 653796443 WAVHFIIWAJWMIY-UHFFFAOYSA-N 355.825 3.694 0 1 FHAF Fc1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc(N2CCCC2)n1 587177499 JZBCQFWLAAISGJ-UHFFFAOYSA-N 351.307 3.778 0 1 FHAF O=C(c1ccc(Br)cc1)n1ncc2ccc(Cl)cc2c1=O 587650968 JIDFMMZBRHYFTM-UHFFFAOYSA-N 363.598 3.501 0 1 FHAF CC[C@]1(c2cnn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587762129 DKANVQOQTOKLKY-BTDLBPIBSA-N 366.278 3.818 0 1 FHAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccnn3CC)c2c1 587641529 GWXAUCRBPGTOCS-LBPRGKRZSA-N 353.422 3.915 0 1 FHAF CCn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587578452 AEVXVANRCMZJRK-WIYYLYMNSA-N 364.401 3.794 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CSCCSC2)N1 587855237 HYIOSBLCXQFUKZ-VIFPVBQESA-N 362.333 3.798 0 1 FHAF COc1cc2c3c(c1)O[C@](c1c(N)sc4c1CCC4)(C1CC1)[C@@H](C2)C3=O 587450584 GMOCDEDUVOXQKI-LHSJRXKWSA-N 367.470 3.881 0 1 FHAF CS(=O)(=O)Nc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532071 KROYAZUDZITLCT-IBGZPJMESA-N 371.458 3.643 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OC)c2ccccc21 587484190 YUDWDKQAIHGMJF-AOMKIAJQSA-N 366.413 3.866 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC2(C(=O)O)CCC2)N1 587827090 NLCWHOCKVRUNPR-QFYYESIMSA-N 370.262 3.983 0 1 FHAF CC[C@@]1(c2cnn(C)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583240 UWEZFKJJPYGSDF-NQIIRXRSSA-N 364.401 3.701 0 1 FHAF Cc1ccc(-c2noc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1 587875109 NHNASNWAJKJKCR-UHFFFAOYSA-N 362.320 3.842 0 1 FHAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1CC=C[C@H]2C[C@@H](C(=O)O)C1 587529273 MQOCNCAUZYLMEF-TWJGEFDFSA-N 352.430 3.956 0 1 FHAF CCOC(=O)C[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587516284 VIQBTOWVOJBBEB-JOCHJYFZSA-N 365.429 3.774 0 1 FHAF COc1ccc(-c2cccc(-c3nc4c(N)ncnc4[nH]3)c2C)c(OC)c1 587929320 MZGVTXXOSKRTNK-UHFFFAOYSA-N 361.405 3.595 0 1 FHAF CCOc1cc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)ncn1 587863159 SJQCBCSTYYICDK-UHFFFAOYSA-N 364.327 3.755 0 1 FHAF COc1cccc2cc3c(nc12)[C@](C)(COc1ccc(F)cc1)NCC3 963050310 XYYXTPLQLKVVAB-NRFANRHFSA-N 352.409 3.822 0 1 FHAF C[C@]1(c2cc(Cl)ccc2N)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730590 OGJQDUPBEBJVHF-WBVHZDCISA-N 368.786 3.831 0 1 FHAF Cc1ccccc1NC(=S)N[C@@H](NC(=O)/C=C/c1ccccc1)C1CC1 1772620532 RIIKFDMALFGPIS-RDPWEWGOSA-N 365.502 3.847 0 1 FHAF Cc1c(C(=O)c2nocc2C(=O)c2ccccc2)cnn1-c1ccccc1 1772650529 LZANUNYZIUOJOV-UHFFFAOYSA-N 357.369 3.631 0 1 FHAF Nc1cc[n+](CCCCCC[n+]2ccc(N)c3ccccc32)c2ccccc12 13758346 XBUQODRYKUUWKL-UHFFFAOYSA-P 372.516 3.993 0 1 FHAF COc1ccc(CCNCCOc2cc(F)cc3c2O[C@H](C)CC3)cc1 3807435 GUSXECGCYPXWGE-OAHLLOKOSA-N 359.441 3.759 0 1 FHAF CCCCN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccc(OC)c(OC)c1)C2 4356499 MBUKBAGZJPOJON-AYHJJNSGSA-N 360.498 3.619 0 1 FHAF O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCCCC1 103199232 PODGFJCATSIXCI-MDZDMXLPSA-N 358.445 3.960 0 1 FHAF CCc1c(Sc2ccccc2)n(OCCC2CCCCC2)c(=O)[nH]c1=O 103176887 NGVBMAUDARRACG-UHFFFAOYSA-N 374.506 3.649 0 1 FHAF CCC1(CC)C[C@@H](CN2CCC(c3nc4ccccc4[nH]3)CC2)OC1=O 103202848 FXPSFBYHZCBQKL-INIZCTEOSA-N 355.482 3.864 0 1 FHAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@]1(C)C(CO)(CO)CO 103274582 VIRVOARXIZSDKK-VSKRKVRLSA-N 360.538 3.784 0 1 FHAF O=C1c2ccc(-c3cc(F)cc(F)c3)cc2CCN1CCN1CCCC1 59113081 VYWPYDHJBNEPBP-UHFFFAOYSA-N 356.416 3.726 0 1 FHAF Cc1cc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(Cl)c(Cl)c2)no1 59889547 UOHXLVYVKFLPNS-UKRRQHHQSA-N 352.221 3.800 0 3 FHAF O=C1[C@@H]2CCCC[C@@H]2N=C(c2ccccc2O)N1CCc1cccc(F)c1 28522410 ZUJOBRTTXXDEKQ-MJGOQNOKSA-N 366.436 3.922 0 1 FHAF CC[C@@H](CO)Nc1ccc2ncc(-c3ccc(C(F)(F)F)cc3)n2n1 113135632 IZURDRXMCYDUFB-ZDUSSCGKSA-N 350.344 3.598 0 1 FHAF Cc1nn(-c2cccc(Br)c2)c2c1c(=O)[nH]c1ccccc12 26578047 OFWIONVHPVMDQF-UHFFFAOYSA-N 354.207 3.938 0 1 FHAF COc1ccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)[nH]n2)c(C)c1 61925557 NBBBVIDNXCIIQY-UHFFFAOYSA-N 364.405 3.604 0 3 FHAF CCCN1C(=O)c2ccccc2[C@@]1(O[C@@H]1CC[C@@H](O)C1)c1ccc(F)cc1 117213278 QBTWQHLSEJRMBJ-HMFYCAOWSA-N 369.436 3.823 0 1 FHAF CC(C)C(=O)CC[C@@H]1C(C(=O)O)=CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]12C 2356693068 WIPXPVFNXVTASQ-MWHZBGGUSA-N 350.455 3.920 0 1 FHAF COc1cc(F)ccc1-c1cc(C(=O)NCc2cccc(Cl)c2)[nH]n1 61904768 KIYPZLNSXCMVQJ-UHFFFAOYSA-N 359.788 3.808 0 3 FHAF COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]23[C@@H](O)OC[C@H]13 32072174 WZNBEJSEYWWDTO-BWWIRXTBSA-N 350.499 3.763 0 1 FHAF COc1c(O)c2c(c3c(=O)occc13)CC[C@@H]1C(C)(C)C(=O)CC[C@@]21C 13337278 DZAIPEFYJZKDHX-LRTDBIEQSA-N 356.418 3.716 0 1 FHAF biogenic Clc1nc(Cl)c2ncn(C[C@H]3CSc4ccccc4O3)c2n1 72179363 FQZMVZLYJIOZRG-QMMMGPOBSA-N 353.234 3.686 0 1 FHAF COc1ccc([C@H]2COc3cc(O)ccc3C2=O)c(CC=C(C)C)c1O 14819458 IDZSIFXDEYUFJP-QGZVFWFLSA-N 354.402 3.974 0 1 FHAF biogenic O[C@H]1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 138984601 CSZJRBHFDVKIKS-KRWDZBQOSA-N 362.433 3.974 0 1 FHAF COc1oc(C[C@@H](O)CCCCCOc2ccccc2)c(C)c(=O)c1C 49784550 MEOFZTUZGINXEN-KRWDZBQOSA-N 360.450 3.808 0 1 FHAF Cc1nc(-c2nc(N3CCC(O)CC3)ncc2-c2ccsc2)sc1C 45191638 CTMLHVAIVFNEIB-UHFFFAOYSA-N 372.519 3.907 0 1 FHAF Cc1cccc(C)c1Nc1nnc([C@H](O)c2ccc3c(c2)OCO3)s1 82083553 YFUUZDHDTPTXLA-MRXNPFEDSA-N 355.419 3.709 0 1 FHAF COc1ccc(CN2CCO[C@@]3(C2)CC(C)(C)Oc2ccccc23)cc1 40425357 XCLFRXFWVWXROF-JOCHJYFZSA-N 353.462 3.984 0 1 FHAF NC(=O)c1c(F)ccc(OCc2nc3cc(Cl)ccc3s2)c1F 49072181 FBAYMVZHLCKTKN-UHFFFAOYSA-N 354.765 3.906 0 1 FHAF Cc1ccc(-c2csc(NC(=O)C3=NNC[C@@H]3c3ccccc3)n2)cc1 95562071 BMIQQEHZBOOPJB-MRXNPFEDSA-N 362.458 3.800 0 1 FHAF COc1ccc(S[C@@H](c2ccccc2)c2oc(CO)cc(=O)c2O)cc1 299831995 PKDNLCPRZBCQOT-FQEVSTJZSA-N 370.426 3.728 0 1 FHAF COC(=O)[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587808126 NEPLHNXTPFGQLJ-MOCULFSLSA-N 370.262 3.681 0 1 FHAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc[nH]c(=N)c3[nH]2)c1 587198676 PFFFHCSNEAQGNS-UHFFFAOYSA-N 353.426 3.717 0 1 FHAF CC(C)n1ccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587758422 XNLFUQQVMNZOHC-BMIGLBTASA-N 352.251 3.989 0 1 FHAF CN1CCC([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587342455 DWOJJZVTNKJUKR-UNMCSNQZSA-N 369.436 3.991 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccn2nccc2c1 587588924 VIZNHNHMQKXGMM-NQIIRXRSSA-N 358.353 3.743 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cc(C)cc(C)c1)[C@@H](C2)C3=O 587433264 PMSSTUJGVARHAL-JTSKRJEESA-N 365.429 3.847 0 1 FHAF CCN(CC)Cc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651971 HWTRFOMAFKYFON-UHFFFAOYSA-N 369.852 3.580 0 1 FHAF COc1ccc(-c2[nH]c3cc(F)ccc3c2NC(=O)CCC(=O)O)cc1 587635839 VAQDYLRYSPDBRI-UHFFFAOYSA-N 356.353 3.786 0 1 FHAF CCOC(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794798 GRRFKUVKWHQXPG-APPDUMDISA-N 372.278 3.927 0 1 FHAF CCOC(=O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526744 ZROJYGCBFASROM-QFIPXVFZSA-N 350.414 3.989 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(C(=O)OCC)[nH]1)CC2=O 587481798 IHYUWPLAIJQERU-KRWDZBQOSA-N 357.406 3.864 0 1 FHAF COCC[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599656 YMNJACGVHLADQI-DHUIEDIVSA-N 354.402 3.929 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(C=O)c1)O2 587375486 DBCXOJJAHSPYPE-INIZCTEOSA-N 360.207 3.859 0 1 FHAF C[C@@]1(c2cc(CNC3(C(F)F)CC3)c(F)cc2F)CCSC(=N)N1 1772580372 BZFHYEXJWOLTQN-HNNXBMFYSA-N 361.408 3.729 0 1 FHAF CCSc1nnc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)s1 5055399 LCUZPZKEROTJSU-AWEZNQCLSA-N 358.492 3.874 0 3 FHAF aggregator Cc1ccccc1CCNC(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 12759909 POTPNVNSNCBKSA-LJQANCHMSA-N 356.510 3.615 0 3 FHAF O=C(Nc1ccccc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2 13123789 JXDAXXTYSDDKIL-GXTWGEPZSA-N 350.344 3.833 0 1 FHAF CC(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714341 PFJNFQNAMKUVQS-OLOCUOQDSA-N 358.526 3.784 0 1 FHAF CCOC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 169729889 BBDCPBDRXQVELJ-OALUTQOASA-N 366.417 3.670 0 1 FHAF COC(=O)/C=C/c1ccc2c(c1)C[C@]1(C2)Cc2cc3c(cc2C1=O)CCC3 1654810 WHOVBTFIWPTXGD-HLZSCNFSSA-N 358.437 3.886 0 1 FHAF COc1ccccc1[C@H](OC(=O)c1ccco1)C(=O)NC1CCCCC1 1381027 OSKVZDFARNSMFC-SFHVURJKSA-N 357.406 3.635 0 3 FHAF CC(C)=CCc1cc(C(=O)O)cc2c1O[C@@H]([C@](C)(O)CC=CC(C)(C)O)C2 2356349303 BTKLEVQOFPWVET-XMSQKQJNSA-N 374.477 3.665 0 1 FHAF CC/[S@@](C[C@H]1CC1(Cl)Cl)=N\S(=O)(=O)c1ccc(C)cc1 3904250 JZRAFTAUOCQBSL-NSPYISDASA-N 354.324 3.699 0 3 FHAF CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 4894462 PMPIQEYAOKVCRV-AUUYWEPGSA-N 370.880 3.994 0 1 FHAF CCC1(CC)C[C@@H](CCNC(=O)c2ccc(Br)cc2)OC1=O 103280786 WWUJJNYQCGKCDF-CQSZACIVSA-N 368.271 3.691 0 1 FHAF CC(C)(C)OC(=O)C(=O)Nc1nc(-c2cc(-c3ccccc3)no2)cs1 27708698 BXLMVPNQPTXCGN-UHFFFAOYSA-N 371.418 3.745 0 1 FHAF N=C(N)CCCC[C@@H]1C(=O)O[C@H]2Cc3cc(-c4ccc(O)cc4)ccc3[C@@H]21 27435631 FZYOVJMSINAIHT-IRFCIJBXSA-N 364.445 3.737 0 1 FHAF CC[C@@H]1CC[C@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)C1 101678228 ASUPALFNMIVBLS-CJNGLKHVSA-N 362.857 3.642 0 1 FHAF COc1ncc(-c2cc3c(C)nc(N)cc3n(C3CCCC3)c2=O)cc1F 103260627 WAKLEFTXKDORMM-UHFFFAOYSA-N 368.412 3.612 0 1 FHAF CC1=C2C[C@@]3(C[N@]4C[C@@H]4CNCCCCO)CC[C@@H](C)[C@@]2(CC1)C3(C)C 2356752087 CJCOYVGFGUSBGU-QGDKMEHCSA-N 360.586 3.976 0 1 FHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@H](CC5=CN[C@H](N)C=C5)C4)(C[C@@H](N)[C@H]31)O2 2356830110 JEKGBBHCTUXREV-QHBPWWHKSA-N 371.569 3.576 0 1 FHAF CCNC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801402 BQWMLHMOZSVPKK-GKGVMIHNSA-N 360.542 3.602 0 1 FHAF CCCNC(=O)c1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2)on1 61928170 XLCFHWSFBYFZLZ-SFHVURJKSA-N 369.465 3.501 0 3 FHAF O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)Cc1cccs1 71340606 CRWJHTMQXCFORB-IBGZPJMESA-N 356.491 3.981 0 1 FHAF CC(C)(O)CN1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72184459 RSYGKAMHIYBXIS-FQEVSTJZSA-N 373.928 3.649 0 1 FHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](CC(=O)O)(c1ccccc1)C(=O)N2 219446070 AEUFXMTXVQRYML-NRFANRHFSA-N 362.385 3.671 0 1 FHAF CC[C@@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 40663126 KRRDPQUROQJNSW-HKDUHGGJSA-N 353.506 3.979 0 1 FHAF Cc1cccc(C)c1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-] 43011840 IUQZMQVBUSZZBI-UHFFFAOYSA-N 354.356 3.695 0 1 FHAF O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1CCCC1 43060746 QFYMDUCDSOJYQL-UHFFFAOYSA-N 374.484 3.869 0 1 FHAF COc1cccc(-c2nc3nccc(C(=O)Nc4cnccc4C)c3[nH]2)c1 84759333 CNSQWZVWEBCADO-UHFFFAOYSA-N 359.389 3.589 0 1 FHAF CN(C)CCCCCCCCCCCC(=O)NC[C@H](O)c1cccnc1 95590001 BBXAGRFPLYJTHX-FQEVSTJZSA-N 363.546 3.694 0 1 FHAF O=C1CC(c2c(F)cccc2Cl)CC(=O)C1[C@H]1NCCc2ccccc21 95932270 SVCCVGKQUGWXDB-PUIQFUQLSA-N 371.839 3.998 0 1 FHAF CCCCNc1ncc(-c2ccccn2)c(NC[C@H]2CC[C@H](N)CC2)n1 261183204 WORRXRIVSMTSEB-WKILWMFISA-N 354.502 3.680 0 1 FHAF COc1cc(C[C@H](C)[C@H](C)Cc2cc3c(cc2O)OCO3)c(O)cc1O 103237794 AZKDNDQVWNXSHU-NWDGAFQWSA-N 360.406 3.598 0 1 FHAF biogenic CC[C@H]1OCCC[C@H]1c1nc2cccc(I)c2[nH]1 586910534 IHAWXYZZQRANAH-BXKDBHETSA-N 356.207 3.840 0 1 FHAF C[C@@H](Sc1ncccn1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586961430 JBIDXRRHHKUJOT-RXMQYKEDSA-N 360.752 3.620 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)o2)N1 587826972 HORPGVOAKOVVPN-UOWDBTKRSA-N 354.175 3.503 0 1 FHAF O=C(NCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1cscn1 587028184 MBPUNEZSJFAQBB-UHFFFAOYSA-N 360.748 3.622 0 1 FHAF CC(C)COC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989316 DQFKNEDVVZNPCK-UHFFFAOYSA-N 361.397 3.894 0 1 FHAF COC(=O)c1ccnc2[nH]c([C@@H](c3ccccc3)c3ccc(OC)cc3)nc12 587937190 OCHQDHBUTLCOQO-SFHVURJKSA-N 373.412 3.933 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587229846 CNSZXWOWYRHKKJ-HOTGVXAUSA-N 357.498 3.897 0 1 FHAF COc1cc2c3c(c1)O[C@]1(Cc4cccc(Br)c4C1)[C@@H](C2)C3=O 587419007 VYDNQQFELSDPHG-LIRRHRJNSA-N 371.230 3.743 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)O)cs2)N1 587850566 ZVQMYUIOJZUAKO-UOWDBTKRSA-N 370.243 3.972 0 1 FHAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587439019 SPPBMCCFMMCXSH-QMTMVMCOSA-N 373.449 3.601 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1nccs1)CC2=O 587492648 BBLQHPCCTMIECA-SFHVURJKSA-N 360.435 3.554 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCC1CCOCC1 587609596 OEHOACACQSKLAA-MJGOQNOKSA-N 354.402 3.929 0 1 FHAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(C)cc1)[C@@H](C2)C3=O 587446814 GHMFBUAWLYPBTM-HRAATJIYSA-N 352.386 3.511 0 1 FHAF COC(=O)C1=C[C@@]2(CCC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587811793 XGCDCBBQXJPMQF-BMLIUANNSA-N 368.246 3.601 0 1 FHAF CC1(C)Cc2cc3c(O)nc(O)nc3nc2-c2cc(Br)ccc21 587367146 UCTFMBWIQMERBQ-UHFFFAOYSA-N 372.222 3.699 0 1 FHAF Cc1cnc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587769351 FUWURSJQLGEANJ-XYZCENFISA-N 364.262 3.793 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CN(Cc4ccccc4)CC[C@@H]1C)[C@@H](C2)C3=O 587438816 RGWCCYJECSIZOU-IGCHPXFFSA-N 363.457 3.723 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](C(=O)O)C2)N1 587820122 ACXUKVMIKLRPKL-ZYSBLVPFSA-N 356.235 3.593 0 1 FHAF OC1CCN(c2ccc([C@H]3NCCc4c(Cl)cc(Cl)cc43)o2)CC1 963102697 DXUVGRVMAAQUBR-SFHVURJKSA-N 367.276 3.783 0 1 FHAF COc1ccc([C@H]2COc3c(ccc(O)c3CC=C(C)C)C2=O)c(O)c1 1772655172 KNLHULLBWJHEPQ-QGZVFWFLSA-N 354.402 3.974 0 1 FHAF CCOC(=O)c1cc2ccc(Oc3ccnc(C(=O)NC)c3)cc2s1 1772588065 OAYUWIIWAAZTII-UHFFFAOYSA-N 356.403 3.625 0 1 FHAF CC1=C(C(=O)N[C@H](C)CCc2ccccc2)C2(CCC(C)CC2)OC1=O 5058778 KMYCZKWWYWTWHE-JXORXQGFSA-N 355.478 3.946 0 3 FHAF CCN1c2ncc(/C=C/c3ccncc3)cc2C(=O)N(C)c2cccnc21 5842196 XIIIMVPYQFDGBH-VOTSOKGWSA-N 357.417 3.790 0 1 FHAF Cc1c(CNc2ccc(Cl)c3ccccc23)cnc2nc(N)nc(N)c12 5891482 YKOLXVQOKFSRQJ-UHFFFAOYSA-N 364.840 3.916 0 1 FHAF CN1[C@H]2CC[C@@H](OC(=O)[C@@](O)(c3cccs3)C3CCCCC3)[C@H]1CC2 169336882 WSRVGFQYBQVAJN-VIPLHTEESA-N 363.523 3.684 0 1 FHAF O=C(COc1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1)Nc1ccccc1 1857604251 RRWSHLVRXIWLQE-UHFFFAOYSA-N 371.396 3.608 0 1 FHAF CC(C)c1cccc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)c1 1857648435 RQSALFQWGKBXQV-UHFFFAOYSA-N 352.423 3.751 0 1 FHAF CCCN(C/C=C\I)[C@@H]1CCc2ccc(O)cc2C1 13719810 RTMIJLQPWFKAFE-JBGNVSFKSA-N 371.262 3.910 0 1 FHAF COc1ccc(C(=O)N2CCC3(CCCN(c4ccncc4)C3)CC2)cc1 3956083 ZTSIRRAKTZUAOB-UHFFFAOYSA-N 365.477 3.613 0 1 FHAF COc1cc(/C=C/C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc(OC)c1OC 100523471 MMMFYPLHQSTVKB-VIGYJSMFSA-N 359.466 3.667 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(SCC)nn2[C@H]1c1ccc(OC)cc1 102650969 SZIVARKSZDTPHQ-RIBQPWQFSA-N 374.466 3.900 0 1 FHAF CC(=O)Sc1c(C(=O)N(CC(=O)O)C2CCCC2)cccc1C(C)C 26990897 BGDRAIJPQRHWCS-UHFFFAOYSA-N 363.479 3.918 0 1 FHAF CC(C)N(CC[C@@](Cc1ccccc1)(C(N)=O)c1ccccn1)C(C)C 27521891 VDJQHPRIIYGESP-QFIPXVFZSA-N 353.510 3.556 0 1 FHAF CN(C)C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1COC(=O)N(C)C 26958030 SNFLUSWKZBSPJY-QINBWVTOSA-N 364.489 3.770 0 1 FHAF Cc1c(C(=O)CN2CCCC2)c(C)n(C)c1C(=O)c1ccc(Cl)cc1 29347726 AIEMHDQMGNVCPK-UHFFFAOYSA-N 358.869 3.805 0 1 FHAF CN(C)c1ccc(-c2nc3ncnc(N)c3cc2Cc2ccccc2)cc1 28477242 YLEOEWIGCWPIKB-UHFFFAOYSA-N 355.445 3.931 0 1 FHAF COc1cccc2[nH]c3c([C@@H]4[C@H](C(C)(C)O)CC[C@]4(C)O)nccc3c12 2356476215 DJJGELHJLSQCQK-JRQSSSKMSA-N 354.450 3.740 0 1 FHAF CSCCCN1C(=O)c2ccccc2[C@H](CC(=O)c2ccccc2)C1=O 29338242 IUOREPYUPVFRTJ-SFHVURJKSA-N 367.470 3.779 0 1 FHAF COCc1nc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)no1 26492380 SDTULZDALZERGU-UHFFFAOYSA-N 357.410 3.808 0 1 FHAF COC(=O)C1=CO[C@H](C)[C@@]2(C)CN3C=Cc4c([nH]c5ccccc45)[C]3C[C@H]12 2356858083 IQXBTLFPLHDDSF-NYFKNOIKSA-N 363.437 3.836 0 1 FHAF CN1CCN(c2nc(C(F)(F)F)nc3c2oc2ccc(Cl)cc23)CC1 38238520 UUCRANZICWLCDT-UHFFFAOYSA-N 370.762 3.800 0 1 FHAF c1cc2c(cc1OC[C@@H]1CCCO1)CCC1(CCN(C3CCC3)CC1)O2 73219052 GGSRLYYZMAZEFO-FQEVSTJZSA-N 357.494 3.957 0 1 FHAF Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1 38423616 WIFHQQKDNLBDGL-UHFFFAOYSA-N 367.478 3.797 0 1 FHAF Fc1ccc(-c2nc(CN[C@@H]3CCN(Cc4ccccc4)C3)co2)cc1 72100986 IAADDYFYUKRNEY-LJQANCHMSA-N 351.425 3.845 0 1 FHAF COc1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)cc1 49046564 SVUIOHBQZIDRBC-KRWDZBQOSA-N 356.422 3.502 0 1 FHAF CC(C)CN(C)C(=O)c1cnc(NCC2CC2)nc1-c1ccccc1F 82150635 UBQKEEDPVUJLIA-UHFFFAOYSA-N 356.445 3.833 0 1 FHAF COC(=O)[C@]1(C)[C@@H]2C=CC3=CO[C@@H](OC(=O)CC(C)C)[C@@H]4CC[C@@H]1[C@]34C2 238741851 FNLVWVNGNLUSMJ-NYWJQZHESA-N 360.450 3.598 0 1 FHAF O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccc(O)cc1 96286194 LHPNUZXMXZJHCT-LNVKXUELSA-N 373.368 3.724 0 1 FHAF C/N=c1\c(NC(=O)c2ccccc2Br)c(O)oc2ccccc12 617997455 FZMGYIPFTVNLJA-RGEXLXHISA-N 373.206 3.684 0 1 FHAF CC(=O)OCC1=CCC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]12 86045501 MQSBUCVBSSNACN-QFIXIFRTSA-N 350.462 3.987 0 1 FHAF biogenic O=c1oc2ccccc2n1CCCCCN1CCN(c2ccccc2)CC1 299828163 SIAFXZNOSNUNMU-UHFFFAOYSA-N 365.477 3.587 0 1 FHAF CCOC(=O)COc1cccc2cc(-c3cn4nc(CC)sc4n3)oc12 653764973 FMRMYCBDSQCVIB-UHFFFAOYSA-N 371.418 3.708 0 1 FHAF CC(C)(C)Oc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(N)cc1F 587135726 BWFOCFGQAWOWNL-UHFFFAOYSA-N 357.385 3.900 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ccnn3c1C)CC2=O 587481641 HBCJOSTTXANUBS-FQEVSTJZSA-N 351.406 3.576 0 1 FHAF O=C(c1ccc(N2C(=O)C=CC2=O)cc1)c1coc2ccc(Cl)cc12 587278223 KAHNLZDJLWNVIA-UHFFFAOYSA-N 351.745 3.747 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCCCC3)nc1)CC2=O 587474754 JJBDECFSEAISHT-IBGZPJMESA-N 367.449 3.832 0 1 FHAF COc1cccc(C(=O)c2ccc(-c3nc4cnc(OC)cc4[nH]3)cc2)c1 587929459 BCSLQCNLQBOUEZ-UHFFFAOYSA-N 359.385 3.873 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C3CC3)nc2)N1 587772169 DTCFXWJWYQGWAV-FVMDXXJSSA-N 362.246 3.879 0 1 FHAF Cc1noc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587343394 BVEWNMFWLAUCJT-UYAOXDASSA-N 368.364 3.583 0 1 FHAF COCc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587609123 BQOHDXLYQLRVKC-YJBOKZPZSA-N 369.398 3.698 0 1 FHAF O=C(CCc1ccccc1)c1c(CO)oc2cc(Br)cnc12 587272711 AUQROUTVMQQKIO-UHFFFAOYSA-N 360.207 3.898 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cccn1 587866235 HCQVOJSNGPVKDR-UHFFFAOYSA-N 364.327 3.505 0 1 FHAF COc1ccc2nc(Cl)c([C@H]3NCCc4c3c(C(C)C)nn4C)cc2c1 962905058 CJUJZVAQRXAHTK-LJQANCHMSA-N 370.884 3.989 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCCCc2ccc(N)cc21 963634619 KYWRPWCBXNQOOF-JLCFBVMHSA-N 352.478 3.790 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cc3cc(C=O)sc3s1)NCC2 962920654 CILZGKJEBSGSSH-QGZVFWFLSA-N 370.499 3.712 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc4c(c3)COC4)C2)cc1 1772587559 ZAOYGJYLJOXXTE-OYHNWAKOSA-N 366.461 3.572 0 1 FHAF O=C(Nc1ccccn1)[C@H]1C(=O)N2c3ccccc3Sc3cccc1c32 11689254 MMESJFQJUFHRPE-KRWDZBQOSA-N 359.410 3.947 0 1 FHAF O=C(Cc1ccccc1C(F)(F)F)N1CCCC[C@@H]1CN1CCCC1 13861046 HSPFUIOJKZSLQI-MRXNPFEDSA-N 354.416 3.725 0 1 FHAF Nc1ncc(-c2ccccc2)cc1NCc1ccnc(NC(=O)C2CC2)c1 1857564507 NZDMYNYYHODDDD-UHFFFAOYSA-N 359.433 3.686 0 1 FHAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)[C@@H]1c1cccs1 6783185 OCBUKTRQGRFTJH-MSOLQXFVSA-N 363.442 3.692 0 1 FHAF COc1ccc([C@@H](OP(=O)(OC)OC)P(=O)(OC)OC)cc1 29228039 PIQAGIVIGCSSII-LBPRGKRZSA-N 354.232 3.597 0 1 FHAF Fc1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1ccc2[nH]cnc2c1 28523231 WRJUSADCSAFPKG-UHFFFAOYSA-N 360.356 3.856 0 1 FHAF Cc1cc2c(cc1C)[C@]1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21 103177613 LOKBLLJFRVKOEU-HSZRJFAPSA-N 356.425 3.924 0 1 FHAF CCOc1cccc([C@@H]2CCc3cc(OC)c(OC)c(OC)c32)cc1=O 27330764 MLNFTJJAUJRVBN-HNNXBMFYSA-N 356.418 3.549 0 1 FHAF Cc1cc2nc(N3CCN(c4ncccc4Cl)CC3)n(C)c2cc1C 28346387 ILYNBGMJYLBCDK-UHFFFAOYSA-N 355.873 3.565 0 1 FHAF COC(=O)C1=CCCC(C)=CCCC(C)=C[C@@H]2OC(=O)C(C)=C2C[C@@H]1O 2356491817 QOFSQIDQLLDFQM-OALUTQOASA-N 360.450 3.545 0 1 FHAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)C4CC4)nc3[C@H](C)[C@@H]21 2356590749 ZVTRWKMQEMZCDI-UXLBFNQYSA-N 374.506 3.745 0 1 FHAF CCCC=C[C@H](OC(C)=O)[C@]1(C)C(=O)O[C@@H](C(C)(C)C)C[C@H]1OC(C)=O 2356697821 RGVVQSZQMJUXMK-XLSPSMHOSA-N 368.470 3.574 0 1 FHAF CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@H]3CN)nc(-c2ccncc2)n1 2356817121 DHSUFIFRCXENTO-FHWLQOOXSA-N 365.525 3.579 0 1 FHAF C[C@@H]1CN(Cc2ccccc2)CCN1CCC[C@H](O)c1ccc(F)cc1 36440818 HAPHCSRSWJQZHP-GCJKJVERSA-N 356.485 3.846 0 1 FHAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC[C@@H](c5ncc[nH]5)C4)c23)c1 210759255 PJPNUCDUTMFJAC-MRXNPFEDSA-N 369.432 3.604 0 1 FHAF O=C(O)Cn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12 135769272 WMOHHPVNHPCDPZ-UHFFFAOYSA-O 352.373 3.660 0 1 FHAF CCN(C)Cc1cccc(C[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 40897594 CQZPKEFEHXEQPI-GOSISDBHSA-N 353.462 3.753 0 1 FHAF COc1ccc2[nH]c3c(c2c1)CCN(Cc1c(OC)cccc1OC)C3 40464975 SFYMIMVVMNTRSX-UHFFFAOYSA-N 352.434 3.752 0 1 FHAF CCC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@H]2C1 196481967 BQARMQQMIRQXAT-WLIHBRIUSA-N 359.473 3.981 0 1 FHAF Cc1csc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)c1 40763163 PYZJVRBLOZTSMS-UHFFFAOYSA-N 364.518 3.765 0 1 FHAF Cc1ccc2[nH]ncc2c1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 144334914 TUMYNXUFFFKFKN-HIFRSBDPSA-N 361.380 3.778 0 1 FHAF COc1cc(-c2cc(=O)n3ncc(-c4ncc(C)s4)c3[nH]2)ccc1Cl 143607326 HGUKDAAWABNUSK-UHFFFAOYSA-N 372.837 3.784 0 1 FHAF O=C(NCC1CC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 143261625 KTRQNCVZFVGSQC-UHFFFAOYSA-N 367.380 3.595 0 1 FHAF CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc2c(c1)OCCCO2 95588463 NVDCBEGCEURYOV-LJQANCHMSA-N 350.418 3.854 0 1 FHAF CCO[C@@H]1C[C@H](O)C2=C3c4cccc(O)c4C(=O)C[C@@H]3c3ccc(O)c1c32 82150364 DSVFBOXMAJTYHV-OAUYIBNBSA-N 364.397 3.534 0 1 FHAF biogenic COc1cc(Cn2c3ccccc3c3cc(C(=O)O)cnc32)cc(OC)c1 653704150 ABWYKACYAZXABG-UHFFFAOYSA-N 362.385 3.953 0 1 FHAF COc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1OC 587158399 XVANDROJXDUTLC-UHFFFAOYSA-N 352.163 3.544 0 1 FHAF Oc1nc(O)c2ccc(-c3ccc(SCC(F)(F)F)cc3)nc2n1 587368265 FMQVYINBKKUCRG-UHFFFAOYSA-N 353.325 3.757 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)nc2F)N1 587737264 DRUMNIPHVQXKQH-JKYUHCHBSA-N 357.173 3.885 0 1 FHAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccncc1)[C@@H](C2)C3=O 587436742 SLLLGZZWBWNDCE-WMZHIEFXSA-N 357.409 3.976 0 1 FHAF O=C(/C=C/c1nc2ccc(Br)nc2[nH]1)Nc1ccc(F)cc1 587166927 KHVQAGRHGSZKEW-BQYQJAHWSA-N 361.174 3.511 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cnc1O 587552383 QXSMEABKCXAVIY-QAPCUYQASA-N 369.760 3.849 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)[C@@H]1C 587475207 KHSMGHMLYICNAS-ODXCJYRJSA-N 361.438 3.688 0 1 FHAF Cc1c(Br)cnc2[nH]c(CCC(=O)c3ccc(F)cc3)nc12 587163294 OUDXQZSFTICJPE-UHFFFAOYSA-N 362.202 3.983 0 1 FHAF Cc1ccc([C@]2(CN)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587751400 YJODJVQYOZDRHI-XIKOKIGWSA-N 363.274 3.633 0 1 FHAF CC[C@H](Oc1ccccc1F)c1nc2nc(Br)c[nH]c-2n1 587155196 KKWWHSIUPXOMOR-VIFPVBQESA-N 351.179 3.736 0 1 FHAF C[C@@]1(c2ccc(F)cc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566998 DIPWWMSFIITJQD-NQIIRXRSSA-N 365.360 3.991 0 1 FHAF CC(=O)c1cc(C(C)=O)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587405053 IUGJSNNZCJCJEC-OAQYLSRUSA-N 351.402 3.863 0 1 FHAF CC(=O)c1ccccc1C(=O)NC[C@@H]1Cc2cccc(-c3cccnc3)c2O1 12079077 CYBDLTSJUQGNJZ-SFHVURJKSA-N 372.424 3.685 0 1 FHAF CN1CCc2c(sc(NC(=O)C3CC3)c2C(=O)c2ccccc2Cl)C1 13442729 MCYPZPKNGXNIDO-UHFFFAOYSA-N 374.893 3.969 0 1 FHAF COc1cc2c(cc1[C@H]1COc3cc(O)ccc3C1=O)C=CC(C)(C)O2 14708795 DHANKGWTWAAPOA-MRXNPFEDSA-N 352.386 3.944 0 1 FHAF biogenic O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2[nH]ncc12 14973851 DJTQGUFXNJDXRL-UHFFFAOYSA-N 350.300 3.783 0 1 FHAF COc1ccccc1CN[C@H](c1ccc[nH]1)c1nnc(-c2ccccc2)o1 169307900 BVXAHTRIIXFRHG-LJQANCHMSA-N 360.417 3.953 0 1 FHAF COc1cc2c(C)[nH]c(=O)c(Cc3ccc4cnccc4c3)c2cc1OC 169703362 ALHOOVRBOSPYKQ-UHFFFAOYSA-N 360.413 3.993 0 1 FHAF CC(C)(O)CC(C)(C)N=c1nc(-c2ccncc2Cl)[nH]c2cnccc12 1857574457 XCYRNDNAPFRZGW-UHFFFAOYSA-N 371.872 3.514 0 1 FHAF COc1ccccc1COc1ccc2cc(NC(C)=O)c(=O)oc2c1C 1857773440 ZVOICOZRWUNPDY-UHFFFAOYSA-N 353.374 3.647 0 1 FHAF C[C@H](N1C(=O)C(=O)N(c2ccccc2F)C1=O)C12CC3CC(CC(C3)C1)C2 1911580936 SKPLGGPOYAWCPJ-PXRHCINRSA-N 370.424 3.726 0 1 FHAF Cc1ccc2nc(C[C@H]3CN(CC(C)(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305986 XUNHAKQKGUYQBJ-CVEARBPZSA-N 357.498 3.873 0 1 FHAF Cc1cc(C(=O)c2ccc(-n3ccnc3)cc2)ccc1OCCCC(=O)O 1909219 JLVNSVXBCZRNAV-UHFFFAOYSA-N 364.401 3.655 0 1 FHAF Cc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(Cl)c3C)sc2n1 3030662 GRSUHZDPJSGDLS-UHFFFAOYSA-N 361.854 3.675 0 3 FHAF O=C(O)c1cnn(-c2ccccc2)c1-n1cccc1CNCc1ccccc1 6750833 AXPIVLZQKRGRNF-UHFFFAOYSA-N 372.428 3.651 0 1 FHAF Cc1cccc(NC(=O)CC23C[C@@H]4C[C@@H](C2)CC(n2nnc(C)n2)(C4)C3)c1 101357817 MZGTTXPXJJBPAC-AMZMEHNNSA-N 365.481 3.614 0 1 FHAF COc1ccc(N2C(=O)C[C@H]([C@H]3C[C@H](C(C)(C)C)CCC3=O)C2=O)cc1 105510990 ZJAKQAZFSNFVHD-KBRIMQKVSA-N 357.450 3.606 0 1 FHAF CCCCc1nn(C)c(C(=O)Nc2nnc(C(F)(F)F)s2)c1Cl 103174634 SLQMTPYYASNKRF-UHFFFAOYSA-N 367.784 3.539 0 1 FHAF Cc1cc(N)nc(C)c1CNC(=O)c1sc(Cc2ccccc2)nc1C 114078465 JEFVBYDUOMVLHI-UHFFFAOYSA-N 366.490 3.566 0 1 FHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc2ccccc2[nH]1 117590336 DTBSXSFOKJJECA-UHFFFAOYSA-N 364.449 3.679 0 1 FHAF Cc1cc2[nH]c(-c3cccc(S(C)(=O)=O)c3)nc2cc1Br 308439265 WLIWSNBWDWEHBB-UHFFFAOYSA-N 365.252 3.704 0 1 FHAF C[C@H]1[C@@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356451602 LDSAFYKZSKWMNQ-OVZZDKHXSA-N 372.597 3.780 0 1 FHAF CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccncc4)no3)cc12 40565672 TWXLJYXDDXKIFW-UHFFFAOYSA-N 361.449 3.502 0 1 FHAF Cc1ccc(C(=O)NCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1 40422803 MMADONAZXAJFKA-UHFFFAOYSA-N 366.465 3.535 0 1 FHAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(CCc3nn[nH]n3)cc2)cc1 221090166 MZDAUBURAOTQQG-QGZVFWFLSA-N 361.493 3.679 0 1 FHAF Cc1nn(-c2cccnc2)cc1CN1CCC2(CC1)OCc1ccccc12 40861286 VIHHHGZXTNCMDC-UHFFFAOYSA-N 360.461 3.597 0 1 FHAF O=C(NCc1ccccc1)c1cnc(N2CCCC2)nc1-c1ccccc1 82133397 GRAXAFASOOPXNZ-UHFFFAOYSA-N 358.445 3.674 0 1 FHAF COC(=O)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 238730830 ASEMPYULZYUTQF-RSPCGPSBSA-N 360.494 3.957 0 1 FHAF [C-]#[N+]c1cccc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n[nH]2)c1 473182553 JMWZRAZMQPNUMR-HXUWFJFHSA-N 373.416 3.541 0 1 FHAF COc1ccc(/C=C2\c3cc(OC)c(OC)c(OC)c3CC[C@H]2O)cc1 299867554 YGFKYBCDKORELH-ZKTNYTPDSA-N 356.418 3.569 0 1 FHAF CC[C@@H](C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc21 653785866 DLMGTRZZQCQEHQ-CYBMUJFWSA-N 351.406 3.837 0 1 FHAF CCOC(=O)[C@H](CC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798590 PBXASHIXQJHSIB-MOCULFSLSA-N 372.278 3.927 0 1 FHAF OCc1ccccc1-c1cccc(-c2nc3c(S)nc(S)nc3[nH]2)c1 586895186 SVEQMDXOZVWDHJ-UHFFFAOYSA-N 366.471 3.757 0 1 FHAF CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)c1C 587639073 UKBRTUOLTMSQAB-UHFFFAOYSA-N 365.311 3.641 0 1 FHAF COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587767249 ADKVPPHUUJEVBK-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn3ccccc23)N1 587791759 GLPYHDMCIHHODQ-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF Cc1ccc(F)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587503162 DEQYTMBLWLHQPL-OAQYLSRUSA-N 351.377 3.826 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)C[C@H]1F)O2 587387785 WZAPRNQQCPDVKB-CTNGQTDRSA-N 354.425 3.525 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCN(C)C)cc1)O2 587387180 NUZYVIDSWVLFRR-HXUWFJFHSA-N 354.450 3.614 0 1 FHAF Cc1nc(O)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587850276 DJZFLJZQLQWATO-MLXNANBUSA-N 371.275 3.856 0 1 FHAF O=C(O)c1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587007729 QBLBPCSJYDDPAR-UHFFFAOYSA-N 357.167 3.567 0 1 FHAF COc1cc2c3c(c1)O[C@@H](C1(NC(=O)OC(C)(C)C)CCCC1)[C@@H](C2)C3=O 587432957 NUUHGCVGFVBOGK-KBXCAEBGSA-N 373.449 3.649 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ccnn23)N1 587795470 OWIIASBXWJVCAV-BMLIUANNSA-N 360.230 3.860 0 1 FHAF CCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797047 VGFFFOZJPNTSMK-QFYYESIMSA-N 358.251 3.681 0 1 FHAF COc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1F 587117889 JSNYOVSNFKGFIK-UHFFFAOYSA-N 354.307 3.852 0 1 FHAF Cc1c(-c2nc3c(Br)ncc(F)c3[nH]2)oc2c1[C@H](O)CCC2 586905431 OGPPSEHLCLYMRV-MRVPVSSYSA-N 366.190 3.798 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)(C(=O)OC)CC2=O 587476294 AWVYVZGSVUTSFP-JOCHJYFZSA-N 368.429 3.855 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(C2CC2)N1 587741437 NDKNACSTOKXEGZ-HDKSMCJESA-N 353.279 3.803 0 1 FHAF COc1ncc(F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587731822 KYPVBLOORAOPSU-GLEZIHRCSA-N 369.209 3.755 0 1 FHAF COC(=O)[C@H](C)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807599 MBAXJVXTQSKDOM-KCWFYHRYSA-N 358.251 3.537 0 1 FHAF CN(C)S(=O)(=O)c1cccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587966509 ISYNCGUTLHLMPS-UHFFFAOYSA-N 371.506 3.653 0 1 FHAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(CCc3ccccc32)N1 962707700 PYODMQULZYKIBU-SJLPKXTDSA-N 365.326 3.633 0 1 FHAF CSC(=C[C@]1(c2cccnc2)NCCc2c(C(=O)O)cccc21)SC 963121151 JLHXINCBTWKHRK-LJQANCHMSA-N 372.515 3.737 0 1 FHAF CN/N=c1\ccn(C2CC2)c2c(F)c(-c3cc(C)nc(C)c3)c(F)cc12 1484044 HJNSFFGNSVFZOQ-KOEQRZSOSA-N 354.404 3.968 0 1 FHAF NC(=O)N1CCCc2cc(-c3cncc(COc4ccccc4)c3)cnc21 1772629435 NIEBQRQDNHQZPM-UHFFFAOYSA-N 360.417 3.554 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](n1ccnc1)[C@H]2O 5543062 RXLJNRSVCPVTJX-QJDFYSGISA-N 356.510 3.719 0 1 FHAF COC(=O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12 14974708 PPSLREGORUQEEL-UHFFFAOYSA-N 363.398 3.500 0 1 FHAF CCN(CC)C(=O)/C=C/c1cccc2c3c([nH]c12)-c1cccnc1NC(=O)C3 169349956 CDFSQAPFSWYFNG-ZHACJKMWSA-N 374.444 3.606 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(OC)cc1 169723988 LYJQQIVPQUNOOS-WMZOPIPTSA-N 373.449 3.658 0 1 FHAF c1ccc(N[C@@H]2C(c3ccccc3)=Nc3ccccc3-n3nnnc32)cc1 206052930 FOJMYGMRFDTODK-HXUWFJFHSA-N 352.401 3.950 0 3 FHAF Cc1ccc(CN2CCCC[C@@H](NC(=O)c3ccc(F)c(F)c3)C2=O)cc1 200052575 AIZBLCKMFYVIIK-LJQANCHMSA-N 372.415 3.584 0 3 FHAF CCc1ccc([C@@H]2C(c3nn[nH]n3)=C(N)Oc3ccc4ccccc4c32)cc1 1857601755 SQIYWMKLMCICLE-SFHVURJKSA-N 369.428 3.767 0 1 FHAF CC(C)c1ccc(NC[C@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 1857638569 ZALGMMCLYQQSMQ-FQEVSTJZSA-N 372.419 3.680 0 1 FHAF CC1(C)CC(NC(=O)c2cc3c(F)c(Cl)ccc3[nH]2)CC(C)(C)N1 1857648659 GLHUMNIRQDDMSM-UHFFFAOYSA-N 351.853 3.999 0 1 FHAF C[C@@H](c1ccc2c(c1)OCO2)N1CCC(n2c(O)nc3ccccc32)CC1 1857754712 PPZFSJBQJJBHCH-AWEZNQCLSA-N 365.433 3.869 0 1 FHAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773593 RJGKEBWDPSFIAY-MLGOLLRUSA-N 372.396 3.878 0 1 FHAF COCCNC(=O)c1c(C(C)(C)C)noc1-c1c(F)cccc1Cl 2485775 WPTZFRLIZLAZQX-UHFFFAOYSA-N 354.809 3.808 0 1 FHAF COC(=O)C=C(C)CC[C@@H]1C(C)=C[C@H](O)[C@@H]2[C@@](C)(CO)CCC[C@]12C 2356440580 HXAKMRKMIMKHHX-CXUGJCBMSA-N 350.499 3.628 0 1 FHAF CC[C@@H](NC(=O)N1C(=O)[C@@H](C)[C@@H]1SCc1ccccn1)c1ccccc1 29232962 YJXLFWWMHXAZHE-BJZITVGISA-N 369.490 3.980 0 1 FHAF CC1=C[C@H]([C@@H]2c3ccccc3CCN2C(=O)OCc2ccccc2)OC1=O 26574141 JTCWLFQDWNOMTP-UXHICEINSA-N 363.413 3.794 0 1 FHAF COc1ccc(/C=N/NC(=O)CSc2cccc(Cl)c2)cc1OC 115599190 ALYHZWGWMYMHSX-VXLYETTFSA-N 364.854 3.600 0 1 FHAF COc1cc(Cl)ccc1O[C@@H](c1cccc(F)c1)[C@@H]1CNCCO1 29050086 SGXWOKUJCWMPJE-ROUUACIJSA-N 351.805 3.596 0 1 FHAF in-vitro C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C)C1=CC[C@H]2C1=CC(=O)OC1 2356579238 VMPVNEMZRALGCT-DXYMSJSZSA-N 372.505 3.524 0 1 FHAF CCOCc1nc(N2CCCC2)sc1C(=O)Nc1ccc(OC)cc1 21651576 AXKZNIGQKZYGEC-UHFFFAOYSA-N 361.467 3.541 0 1 FHAF COc1cc(OC)cc(-c2nc(C(=O)OCCc3ccccn3)cs2)c1 82086407 MMMAOGDTULKNBP-UHFFFAOYSA-N 370.430 3.622 0 1 FHAF Cc1ccc(NC(=S)OC[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)cc1 40898273 GOARHISASXAHDT-CQSZACIVSA-N 368.458 3.702 0 1 FHAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(Br)cc3F)nc12 236458274 MKMPIOHRIPZALJ-UHFFFAOYSA-N 353.122 3.969 0 1 FHAF COC(=O)[C@@H]1C[C@H]2C[C@H]1CN2CCOc1ccc(Cc2ccccc2)cc1 253636049 IFWDQXSUHPPOCV-TUNNFDKTSA-N 365.473 3.540 0 1 FHAF CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N2CCOCC2)n1 299872061 ZUYRUYWQHQBHPE-UHFFFAOYSA-N 369.494 3.720 0 1 FHAF CNC(=O)Nc1nc2cc(Oc3cccc(Br)c3)ccc2[nH]1 299832866 UIOOHLUTDLKLCV-UHFFFAOYSA-N 361.199 3.869 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(C(C)(C)C)no2)N1 587792579 JBEPJGJRHHNUBB-ISVAXAHUSA-N 368.250 3.892 0 1 FHAF Fc1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1C(F)(F)F 587097517 KGLKJNKFXDZUIU-UHFFFAOYSA-N 361.096 3.892 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc(C(F)(F)F)c3[nH]1)C2 587247652 WJTAVVNWOQWIFQ-SFHVURJKSA-N 361.367 3.933 0 1 FHAF CN(C)CCOc1ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587174663 KKFWAWLYSPHGCJ-UHFFFAOYSA-N 352.413 3.715 0 1 FHAF Cc1ccc([C@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609647 OMTZNNXJKOMRRB-UGKGYDQZSA-N 362.381 3.550 0 1 FHAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1N 587747535 LVPNUGLLNMGARV-HUTHGQBESA-N 365.246 3.803 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nc3ncccn13)O2 587393771 LWWUWPYKQMTADT-SFHVURJKSA-N 370.412 3.993 0 1 FHAF O=Cc1ccc(OCc2occc2-c2nc3ccc(CCO)cc3[nH]2)cc1 586900106 CVYRKARFGNJWNG-UHFFFAOYSA-N 362.385 3.749 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ncc(Br)cn1)CC2=O 587458989 MMGYOAMZNWJSTM-AWEZNQCLSA-N 363.211 3.604 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(C[C@@H]4CCCO4)c1C)[C@@H](C2)C3=O 587432626 XPZTXCIOUCRYRH-LZFQIVBZSA-N 367.445 3.781 0 1 FHAF CCOc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587589366 VBNNGODSDADKJB-RXVVDRJESA-N 363.369 3.889 0 1 FHAF O=Cc1ccc(OCCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587566311 GDXIKHIAOYZLIG-UHFFFAOYSA-N 350.296 3.896 0 1 FHAF Cc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cc1C 587236994 JOQOTUPGMBBTBJ-UHFFFAOYSA-N 359.470 3.835 0 1 FHAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586960837 CSAHAEPSCNTQIH-YFKPBYRVSA-N 373.335 3.652 0 1 FHAF COc1cc2c3c(c1)O[C@](c1cccc(F)c1)([C@@H](C)CC(=O)O)[C@@H](C2)C3=O 587428820 QHEHTPJNBVZGNL-VQDICGIKSA-N 370.376 3.588 0 1 FHAF NC(=O)c1cccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587157749 FTEQSEMLVXMXPG-UHFFFAOYSA-N 359.360 3.947 0 1 FHAF CCOC(=O)C[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587794793 GQNCSVCUGRGLRB-QLJPJBMISA-N 358.251 3.681 0 1 FHAF CCOCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587442982 SDARDEURRZMGRF-IIBYNOLFSA-N 354.402 3.729 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 586938397 JFGQBERABAKATB-JTQLQIEISA-N 365.405 3.585 0 1 FHAF Cc1nn(Cc2nc3ccc(OC(C)C)cc3[nH]2)c(C)c1Br 586979359 XPNWZUCFUBPSPC-UHFFFAOYSA-N 363.259 3.974 0 1 FHAF COCCCNc1nc(C)c([C@@]2(C)NCCc3c2sc(C)c3C)s1 963013987 SMIBCNNJXMHOMJ-GOSISDBHSA-N 365.568 3.987 0 1 FHAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H](O)CC[C@]21C 1772606745 GHEDPBNXBNIAIZ-XVDOCLBUSA-N 350.543 3.748 0 1 FHAF CCn1c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc2sccc21 5036520 RCHFQHJGCPSAEK-LBPRGKRZSA-N 356.447 3.985 0 3 FHAF O=C(O)c1ccc(-c2nn(Cc3ccccc3)c3cc4c(cc23)OCO4)o1 13864645 HBCONDBJRIAUAS-UHFFFAOYSA-N 362.341 3.772 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc(F)c1F 169723604 IOZRAQBOYNWLEQ-GDBMZVCRSA-N 365.376 3.539 0 1 FHAF CNCCc1ccc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1 203004637 SYZQFGCKYQFXGI-UHFFFAOYSA-N 363.469 3.635 0 1 FHAF CN(C)c1ccc(N2C(=O)CN(Cc3ccccc3)C2=S)cc1Cl 1857761052 PTDZBVFKJVWUKD-UHFFFAOYSA-N 359.882 3.540 0 1 FHAF Cc1ccc(Nc2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2N)cc1 1911580985 XWVINCJGPUMJDW-UHFFFAOYSA-N 367.380 3.808 0 1 FHAF COc1cc([C@@H]2OC[C@H]3[C@@H]2CC[C@H]3c2ccc(O)c(OC)c2)ccc1O 2356369966 WIBQQMLELFLPKY-CMBDLQSPSA-N 356.418 3.996 0 1 FHAF N[C@H]1CC[C@H](Nc2cc(Br)cc3cc(C(=O)O)oc23)CC1 101419217 BLBAWGODFTZAEY-PHIMTYICSA-N 353.216 3.575 0 1 FHAF in-vivo CC(C)c1noc(C2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)n1 64746663 WYQYSMZPAAVISB-SJORKVTESA-N 354.454 3.638 0 1 FHAF in-vitro CCOC(=O)CC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1 29222221 KORCPJKSOVMNEW-UHFFFAOYSA-N 364.401 3.706 0 1 FHAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CCNC3 64550059 NISSGJHPJFKJDG-UHFFFAOYSA-N 371.440 3.544 0 1 FHAF CCCCN(C)c1ccc2nc(-c3ccc(OCCOC)cc3)cn2n1 72173116 JJKKCOPRKOLLSI-UHFFFAOYSA-N 354.454 3.658 0 1 FHAF COc1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)cc1F 49034944 HSKCETLIRMHPBS-INIZCTEOSA-N 374.412 3.641 0 1 FHAF CC[C@H](C)Sc1nnc([C@@H](C)Sc2nc3nc(C)cc(C)n3n2)o1 40917584 SUPYXWBRLQZAPQ-WDEREUQCSA-N 364.500 3.868 0 1 FHAF CCCCC(/C=C/C(=O)N1CCC(O)CC1)=C\c1ccc2c(c1)OCO2 40407412 YANLHWHHTGIJFK-MRGCPTAJSA-N 357.450 3.528 0 1 FHAF CCc1[nH]c2nc(Sc3cccnc3)nc(NC[C@H](C)O)c2c1Cl 95590448 KDHXGZPBAZLFFF-VIFPVBQESA-N 363.874 3.513 0 1 FHAF COc1ccc(Cn2ncc3c(C(=O)O)cc(-c4ccccc4)nc32)cc1 95583328 MLTFLENPBLXKSW-UHFFFAOYSA-N 359.385 3.853 0 1 FHAF CNC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 253634600 RZFLKYKMLWACOU-HHRMTGIUSA-N 351.277 3.606 0 1 FHAF COc1ccc(-n2ccc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 299824434 CAKJYFONPZWJQO-UHFFFAOYSA-N 367.401 3.743 0 1 FHAF Cc1ccc(-c2cc(NC(=O)c3ccc(Br)nc3)n[nH]2)cc1 299833769 INTOBMFDZWDGRI-UHFFFAOYSA-N 357.211 3.795 0 1 FHAF COCCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574031 AEZRBWDJYJFSHY-WIYYLYMNSA-N 365.385 3.543 0 1 FHAF CC(=O)Oc1cccc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)nc12 587394192 DENZLBRPLQCHJP-IBGZPJMESA-N 362.385 3.757 0 1 FHAF CCOC(=O)C[C@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515735 QEPCHWAPDTZHEE-QFIPXVFZSA-N 365.429 3.774 0 1 FHAF COC(=O)c1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cn1 587012434 RFJAPZQGNDZAGE-UHFFFAOYSA-N 364.430 3.767 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 586916666 NERDYUUVWDNXII-XOBRGWDASA-N 368.364 3.617 0 1 FHAF CCOC(=O)c1[nH]c2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587397104 SCWPJGIFMYOZFE-QGZVFWFLSA-N 364.401 3.942 0 1 FHAF CC(=O)N[C@H](Cc1nc2ccc(C(C)(C)C)nc2[nH]1)c1ccc(C)cc1 587216730 KVRAWJCHYREJOF-QGZVFWFLSA-N 350.466 3.984 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587081133 SZJRFQHFLVBKCD-INIZCTEOSA-N 362.838 3.686 0 1 FHAF Cc1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1C 586929502 WSODUGVUWDKXSK-UHFFFAOYSA-N 363.870 3.654 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)nn2)N1 587707438 VSTHALUULBFQDO-JKYUHCHBSA-N 356.626 3.655 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(C)cc(C)c1-n1cccn1)[C@@H](C2)C3=O 587432533 QFQGHDQHXOWNIM-HTAPYJJXSA-N 360.413 3.986 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433956 YCUNWICYVJCWCF-VWVPQACVSA-N 373.449 3.506 0 1 FHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 587786459 QQPJQIZLZZOQDC-VXGBXAGGSA-N 361.323 3.920 0 1 FHAF Oc1ccc2c(c1)[C@@H](c1ccc(OC(F)F)c(OC(F)F)c1)NCC2 963353027 OSBQCYWPFZUNQL-OAHLLOKOSA-N 357.303 3.830 0 1 FHAF COc1cc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)ccn1 962714413 ONVRKOTYILDNBE-QRWLVFNGSA-N 358.482 3.856 0 1 FHAF CSCCC[C@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962930547 WCMUSYKPCNXIKX-MOPGFXCFSA-N 373.474 3.968 0 1 FHAF CCN1CCN(C(=O)C23C[C@H]4C[C@H](CC(Cc5ccccc5)(C4)C2)C3)CC1 15593957 WEEDVZDWNMVNFV-MNZGCLKASA-N 366.549 3.980 0 1 FHAF NCCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F 164980079 ZXCVUZZSUSFQFZ-UHFFFAOYSA-N 354.406 3.756 0 1 FHAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)[C@@H](O)C[C@@H](O)CCC=C2 1857743499 ATGCIUOLONYVDU-RDJZCZTQSA-N 372.417 3.793 0 1 FHAF COc1ccc(-c2nc3c4ccccc4ccn3c2CN2CCOCC2)cc1 2479305 LJHYXQKMPZZSDF-UHFFFAOYSA-N 373.456 3.995 0 1 FHAF COc1ccc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)c(OC)c1 4266784 ZXWJMCLPUAIGTC-UHFFFAOYSA-N 365.389 3.502 0 1 FHAF Cc1ccc(CNS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 6929627 HDRVEWCIOQGQLI-UHFFFAOYSA-N 354.475 3.834 0 1 FHAF O=C1Nc2ccccc2C2=N[C@@H](CN3CCC4(CCCCC4)CC3)CN12 22940651 IEJBLWPRGYDGLE-INIZCTEOSA-N 352.482 3.709 0 1 FHAF COc1ccc([C@@H](CN(C)C)C2(O)CCCCC2)cc1Br 26733992 CDSKYZNOPRUMAE-CQSZACIVSA-N 356.304 3.798 0 1 FHAF O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1cccnc1 66128901 DTMGUJFFBQAVJX-FQEVSTJZSA-N 350.805 3.584 0 1 FHAF CCOC(=O)c1cnc2c(OC)cccc2c1NCCCN(CC)CC 20103833 CPGLHZWOLOEDLZ-UHFFFAOYSA-N 359.470 3.564 0 1 FHAF Clc1ccc(N2CCN(CCCc3ccc4nc[nH]c4c3)CC2)cc1 36423612 URHRUFGDMZQEAG-UHFFFAOYSA-N 354.885 3.971 0 1 FHAF CCC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(F)cc2)NC(=O)N1 73313997 GXHAWAFVASDLGT-GOSISDBHSA-N 360.429 3.967 0 1 FHAF Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCCC3)cccc1C2=O 49048070 VNKVESZANYVNNB-UHFFFAOYSA-N 356.429 3.533 0 1 FHAF OC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 138953833 JEZLKUAHTOCVLL-UHFFFAOYSA-N 362.433 3.974 0 1 FHAF CC(C)CN(C)c1ncc(C(=O)NCC2CC2)c(-c2ccc(F)cc2)n1 82139632 QGTQZMIVWNFPMD-UHFFFAOYSA-N 356.445 3.515 0 1 FHAF COc1ccc2c(c1)/C(=C\c1c(-c3ccccn3)nc3sccn13)C(=O)N2 84708360 LRQQBRIPEDYAAV-SDNWHVSQSA-N 374.425 3.959 0 1 FHAF CC1(COc2cc(C(F)(F)F)ccc2C(=O)Nc2cc[nH]c(=O)c2)CC1 143196282 KIVKLMKQCASUFG-UHFFFAOYSA-N 366.339 3.825 0 1 FHAF COc1cc(NCc2cc(OC)c(OC)c(OC)c2)ccc1-c1cnco1 96935283 GTZUOIMKLNUCGU-UHFFFAOYSA-N 370.405 3.988 0 1 FHAF Cn1nccc1Cc1c(O)nc(O)nc1[C@H]1CC[C@@H](c2ccccc2)CC1 254132229 LGJYZUJRVPSIER-IYBDPMFKSA-N 364.449 3.654 0 1 FHAF Cc1nc(N(C)c2ccc(OC(F)(F)F)cc2)c2nc(C)n(C)c2n1 299822219 HSYRZVJVBFESAW-UHFFFAOYSA-N 351.332 3.647 0 1 FHAF CCCCOc1c(OC)ccc2cc(C(=O)N[C@@H](C)CCC)c(=O)oc12 299870545 WJIZZYNTUBCGPU-ZDUSSCGKSA-N 361.438 3.899 0 1 FHAF CC[C@]1([C@@H](C)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809975 SMRHLFNTBMSKCP-XQJJYNOISA-N 358.251 3.537 0 1 FHAF COC(=O)COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520837 GFQMNXJXVHZPPD-FQEVSTJZSA-N 366.413 3.824 0 1 FHAF C[C@@]1(c2ccc(F)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569104 KKEXTQOOGUXJGA-XLIONFOSSA-N 351.333 3.803 0 1 FHAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CC[C@@H](O)CC3)nc2c1 586897775 DJHHYFUHFQAFEN-JGZJWPJOSA-N 367.243 3.521 0 1 FHAF N=c1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c[nH]1 587254116 GNPNUZUIMTXHPG-UHFFFAOYSA-N 371.160 3.743 0 1 FHAF CC(=O)c1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1 587244871 NSNSEUXNLMTTJP-UHFFFAOYSA-N 374.400 3.905 0 1 FHAF Cc1ccccc1-c1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O 587945309 KJFUGBZPCQOFDQ-UHFFFAOYSA-N 350.353 3.788 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)O)ccc1OC)CC2=O 587485090 YPVWMSSBHLYVLW-SFHVURJKSA-N 356.374 3.758 0 1 FHAF O=c1c(-c2nc3cccc(O)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587173017 PVXMEAQJRKJQPE-UHFFFAOYSA-N 353.328 3.864 0 1 FHAF CCC[C@]1([C@@H](C)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804677 DZHQPTHMJKNLTQ-PSVSLLHZSA-N 372.278 3.927 0 1 FHAF CN(C)CCOc1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1 587115635 SUQLKSIVIQHGJX-UHFFFAOYSA-N 350.344 3.584 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N1CCCC[C@@H]1C)CC2=O 587481068 XRHVBSQRMBTOOJ-QKKBWIMNSA-N 359.466 3.860 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Cl)cn2)N1 587705120 LSUUFHUBVJLFGF-GLEZIHRCSA-N 370.653 3.829 0 1 FHAF Cc1ccc([C@@]2(COCC(F)(F)F)NCCc3ccc(O)cc32)cc1 963342741 SKPOIYQMFUZKJZ-GOSISDBHSA-N 351.368 3.669 0 1 FHAF CN1C(=O)C[C@H]2CN[C@H](c3cccc(-c4cccnc4O)c3)c3cccc1c32 963021501 HPAFWTMZTNFFJR-KSFYIVLOSA-N 371.440 3.597 0 1 FHAF O=C(C1CCOCC1)N1CCc2onc(-c3cccc4ccccc34)c2C1 11817111 ZUKZNJDRILSPKZ-UHFFFAOYSA-N 362.429 3.806 0 1 FHAF CC(C)(O)CCc1cccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)c1 13683086 VYZNEDVUQBPGQA-UHFFFAOYSA-N 367.424 3.528 0 1 FHAF C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 13797524 OLYVUTGQXNIQQG-UHFFFAOYSA-N 370.210 3.655 0 1 FHAF Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCO)c3)o2)cc1 169353047 ZQSZVNJWWRJXNQ-UHFFFAOYSA-N 351.406 3.813 0 1 FHAF CC(=O)N(C)c1cc(-c2cc(Cl)c3c(c2)CN([C@@H](C)C2CC2)C3=O)on1 1857638504 PPRDMLRHQKIIPP-JTQLQIEISA-N 373.840 3.732 0 1 FHAF c1ccc(Cc2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1 13560007 CEKLYQQZGFQPAC-UHFFFAOYSA-N 367.412 3.842 0 1 FHAF COc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1 13860718 RBRAFPFLOPELES-UHFFFAOYSA-N 352.365 3.952 0 1 FHAF O=C(O)COc1cccc2c1CC[C@H](C/C=C/[C@H](O)Cc1ccccc1)C2 26011042 ZHYVXDSUFDWWIN-MXZXXPSTSA-N 366.457 3.805 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@@H](c3cccc(Cl)c3)CN1CC2 28821846 ZJDLPRJGRPALAH-QRVBRYPASA-N 372.896 3.771 0 1 FHAF O=C1CCC[C@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@H]12 29239296 KHSVWSHGEADZAR-UHOFOFEASA-N 364.218 3.537 0 1 FHAF Cn1cc(C(=O)CN2CCCCCC2)cc1C(=O)c1ccc(Cl)cc1 29347855 GFJDEHKPJPHGIQ-UHFFFAOYSA-N 358.869 3.968 0 1 FHAF OC(c1cccnc1)(c1cccnc1)[C@H](c1ccccc1)N1CCCCC1 35900355 VFOJZCCGUHQKDE-QFIPXVFZSA-N 359.473 3.940 0 1 FHAF CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 36486338 BADIOVUTPYVHGM-MRXNPFEDSA-N 371.433 3.988 0 1 FHAF Cn1ccc2ncnc(Oc3ccc(NC(=O)Cc4ccccc4)cc3)c21 64391292 HVSBMXGGSBDMBW-UHFFFAOYSA-N 358.401 3.942 0 1 FHAF CCC(=O)N(c1ccccc1)C1CCN(CCOc2ccccc2)CC1 98084727 KOMXSJAJYURFRZ-UHFFFAOYSA-N 352.478 3.973 0 1 FHAF Fc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)cc1 100107089 ZYUCXIZFZOAHEH-KXTWHKPSSA-N 365.477 3.889 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C/C=C/CF 101358270 LMVDJMCDHZLBFE-CBSKPAPBSA-N 351.849 3.975 0 1 FHAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@@H]1CC=C3 113208510 UAMTWZINZZRALQ-NSHDSACASA-N 354.381 3.559 0 1 FHAF Cc1nc2cc([C@@]3(O)c4ccccc4C(=O)N3Cc3ccccc3)ccc2[nH]1 116252806 VMVSXMARTHVYRB-HSZRJFAPSA-N 369.424 3.721 0 1 FHAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Cc4ccccc4)c3)c2c1 164770475 JUMGDCLXHCCXAH-UHFFFAOYSA-N 370.412 3.510 0 1 FHAF Cc1ccc([C@@H]2c3c([nH]c(=S)[nH]c3=O)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1 169686889 QPHLIVHZAGSWHB-LSDHHAIUSA-N 367.474 3.964 0 1 FHAF CCOC(=O)[C@@H]1[C@H](c2ccc(-c3cccn3C)cc2)C[C@H]2CC[C@H]1N2C 253646359 NXORNPDSIJCZRC-KOUHRCEDSA-N 352.478 3.822 0 1 FHAF CCOC(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587042952 WNILZORULVSHOG-ROUUACIJSA-N 367.474 3.686 0 1 FHAF COc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)c(Cl)n1 587088480 XPKSOERMPVHLRW-UHFFFAOYSA-N 353.607 3.753 0 1 FHAF COC(=O)c1cc2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2cc1OC 587151633 SCYVMKIIAREPRA-SECBINFHSA-N 362.332 3.776 0 1 FHAF Cc1cccc(F)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587276893 UEDPEZSYCRMRBK-UHFFFAOYSA-N 364.170 3.761 0 1 FHAF CCOC(=O)[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353265 YPGLWALRVZEPGY-VXOKYEDTSA-N 372.392 3.848 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1ccc(Cl)cn1)O2 587379804 KZWQILJWEDNYQA-LJQANCHMSA-N 374.824 3.741 0 1 FHAF COC(=O)c1cc(Cl)ccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420711 QTSNXDBEYIGCEZ-FOIQADDNSA-N 372.804 3.798 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1nc4ccc(OC)cc4s1)[C@@H](C2)C3=O 587453553 RATQSSVDWHSEDA-KPZWWZAWSA-N 353.399 3.802 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccccc1F)CC2=O 587468996 ZMXABCVCSMAXOA-OAQYLSRUSA-N 372.392 3.908 0 1 FHAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1nccs1)CC2=O 587493705 GCXGLQUELZDCQP-RQMBKDMJSA-N 358.463 3.737 0 1 FHAF COc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599332 FLSJXEDSPBVQGK-RXVVDRJESA-N 364.353 3.809 0 1 FHAF C[C@@]1(CC2(C(=O)O)CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611719 SZQOBZNXFZJQSY-UZLBHIALSA-N 368.385 3.758 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2C(F)F)N1 587715586 HYUGAYJOLIURHJ-CPFSXVBKSA-N 374.204 3.883 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncc(F)c2)N1 587734344 QTONZZZJEUEEOM-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)CN1C 587762577 TUAHOALOKBORIT-YXPOGWMNSA-N 355.295 3.678 0 1 FHAF Cc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587775214 PRFYBOQFJFOQRM-VPTHRUTESA-N 353.235 3.991 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC2(C(=O)O)CCC2)N1 587829052 VSSZHWYRVZPKPV-MGPLVRAMSA-N 370.262 3.983 0 1 FHAF COCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587831479 XGRJLHVJRDIXHW-XXFAHNHDSA-N 354.219 3.951 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)COC3)N1 587836429 URNKJHYMJPBOLZ-LLVKDONJSA-N 354.263 3.908 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=N)c1cccc(C)n1 587867540 ISFHZOYOJZUSJC-UHFFFAOYSA-N 361.327 3.550 0 1 FHAF CC[C@@]1(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)CC(=O)c2ccccc2C1 587961155 QBHMKJUWFKURAJ-NRFANRHFSA-N 360.417 3.913 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@]3(CCc4ccc(C(F)(F)F)cc43)c3cccc1c32 963016747 BXNMBIRXZXDQRD-XCLFUZPHSA-N 372.390 3.949 0 1 FHAF COc1ccc2c(c1OC)[C@H](C1(C)CC1)N(C(=O)c1ccccc1N)CC2 963161710 UZLPCFUCMWEFEZ-HXUWFJFHSA-N 366.461 3.826 0 1 FHAF O=C(O)/C=C/[C@H](O)c1ccc(OCc2ccc(Br)cc2)cc1 1772650878 JQMAEYPMDVPZPW-SCOAYWHSSA-N 363.207 3.702 0 1 FHAF COc1ccc(Nc2ncc3c(n2)n(C2CCCCC2)c(=O)n3C)c(C)c1 1857540793 TZBGTNVOICBCLO-UHFFFAOYSA-N 367.453 3.696 0 1 FHAF Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(CC(=O)O)cc2)n1 4835046 OKUOKTLNLXNPKM-UHFFFAOYSA-N 373.416 3.803 0 3 FHAF COc1ccccc1-c1nnc(S[C@@H](C)C(=O)O)n1-c1ccccc1 4959804 YOOZJGLRFZORPE-LBPRGKRZSA-N 355.419 3.508 0 3 FHAF COc1cc(-c2nc3cccc(C)n3c2NC[C@H]2CCCO2)ccc1O 904115 HXZMXRGDQKXTQE-OAHLLOKOSA-N 353.422 3.615 0 3 FHAF CC(C)=CCOc1ccc([C@@H](O)CNC(=O)C=Cc2ccccc2)cc1 2356452712 AQBWTILJYRVPPH-NRFANRHFSA-N 351.446 3.895 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N(C)C 4310709 ORYLIFNHKKKWHK-OALUTQOASA-N 362.470 3.806 0 1 FHAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)cc1 103531255 VXGCFOBFFKYBPP-FXBHHXAOSA-N 356.426 3.959 0 1 FHAF C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(Cl)c4)cc3c21 28902041 SFNYYJNUCUHONX-SNVBAGLBSA-N 353.809 3.921 0 1 FHAF Cc1ccc(C(N)=O)cc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 101363778 JTJFSCIURFCZGE-PMOLBWCYSA-N 350.462 3.668 0 1 FHAF COc1ccc(-c2[nH]cnc2-c2cc(OC)c(OC)c(OC)c2)cc1F 29415790 DTSXFCYQOJUIJP-UHFFFAOYSA-N 358.369 3.917 0 1 FHAF Cc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1 34603793 BGFVNNRXZMCPRA-IBGZPJMESA-N 363.461 3.958 0 1 FHAF CC1(C)C=Cc2c(cc3c(c2O)[C@@H]2Oc4cc5c(cc4[C@@H]2CO3)OCO5)O1 14613187 NMOUYFFKLRGDSS-FKIZINRSSA-N 366.369 3.915 0 1 FHAF biogenic COc1cccc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 35859016 LRYKHTDVFXMHEH-HSZRJFAPSA-N 371.440 3.602 0 1 FHAF in-vitro CCOC/C=C/c1ccc2c(c1)[C@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 72170785 IZWXWZBLJVFVIF-GQANSBOFSA-N 356.418 3.660 0 1 FHAF COc1ccc(-c2cc(NCc3ccccc3)ncn2)c(OC)c1OC 82160188 OJXGIAWDFZVAHX-UHFFFAOYSA-N 351.406 3.782 0 1 FHAF COC(=O)Cc1cc(O)cc2oc(-c3cccc(OC)c3Cl)cc(=O)c12 84671535 UUNUXHCIIQOAAV-UHFFFAOYSA-N 374.776 3.543 0 1 FHAF Cc1cc(Cl)cc2c(NCc3ccco3)nc(N3CCN(C)CC3)nc12 96903432 YUZRGISUAJJLAM-UHFFFAOYSA-N 371.872 3.549 0 1 FHAF COc1ccccc1O[C@@H]1O[C@H](OCc2ccc3c(c2)OCO3)[C@@H](C)[C@@H]1C 238742245 AATADWOXOWGJLR-MFRYECHYSA-N 372.417 3.974 0 1 FHAF COc1cc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)ccc1Cl 299825172 XDGHVUOLZMZTRA-UHFFFAOYSA-N 369.808 3.743 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(C=O)n(C)c1)O2 587389734 JBMLXYUNGVDNTA-JOCHJYFZSA-N 360.413 3.637 0 1 FHAF COc1cncc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587775939 VCKNTPJKHIRQDT-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF Clc1ccc(-n2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)nn2)cc1 587075399 HNVHFYHVPXCSDF-UHFFFAOYSA-N 367.796 3.625 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1-c1ccc(F)cc1)[C@@H](C2)C3=O 587429831 XFNGQEMPBABJKM-YCRPNKLZSA-N 364.376 3.724 0 1 FHAF Clc1ccc(C2=C[C@H](c3nc4cc5c(cc4[nH]3)OCCO5)ON2)cc1 587077687 YDVOBFONXXKODD-QGZVFWFLSA-N 355.781 3.605 0 1 FHAF CCCCN=c1[nH]c(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587448992 CXODCFVZRVTNEZ-JLTOFOAXSA-N 372.490 3.757 0 1 FHAF Cc1cnn(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587760938 RHBSOTAYVJQGOK-ZBEGNZNMSA-N 352.251 3.543 0 1 FHAF Cc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587608603 LTLYSJIGQCEZAI-RXVVDRJESA-N 364.353 3.815 0 1 FHAF CC[C@@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336781 APAWEDOYRZOACK-GHTZIAJQSA-N 366.392 3.929 0 1 FHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3c(Cl)ccnc3[nH]2)cs1 587014684 WVJPHYXDEZQLOZ-UHFFFAOYSA-N 365.846 3.760 0 1 FHAF FC(F)(F)c1ccn(CCc2nc3c(Cl)cnc(Cl)c3[nH]2)n1 587118627 PGSKWMPUMDLMSF-UHFFFAOYSA-N 350.131 3.723 0 1 FHAF CCOC(=O)c1ccnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587519140 VDTQRKSKKLWNMB-IBGZPJMESA-N 351.402 3.844 0 1 FHAF CN1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336195 JMSQRVYZFKBNJZ-HRSBRNJNSA-N 367.420 3.886 0 1 FHAF COC(=O)c1ccc2[nH]cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587397114 SKYOWUODYREDGY-SFHVURJKSA-N 350.374 3.552 0 1 FHAF Cc1ccc([C@]2(COCC(F)(F)F)NCCc3ccc(O)cc32)cc1 963342745 SKPOIYQMFUZKJZ-SFHVURJKSA-N 351.368 3.669 0 1 FHAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(OCC(F)(F)F)nc1 963257644 MEQYCRNHMSBGAP-INIZCTEOSA-N 372.774 3.920 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCOCC(=O)O 169316730 IXVUMDZQWOPTHA-HWFOWJIOSA-N 354.487 3.741 0 1 FHAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1C1=CCCC1 963152095 UATZBSAVSXJQDE-STQMWFEESA-N 350.440 3.541 0 1 FHAF COc1cc2c(cc1OC)[C@@]1(CCOc3ccc(C)cc31)N(C)[C@@H](C)C2 962625550 JFUOPDFSZYJCMA-OYHNWAKOSA-N 353.462 3.915 0 1 FHAF NC(=O)N1CCc2sccc2[C@@]1(CC1CCCCC1)CC1OCCO1 962717574 UKZYAMYIULRISP-LJQANCHMSA-N 364.511 3.614 0 1 FHAF NC(=O)c1cccc(C2C[C@H]3CC[C@H](C2)N3Cc2c(F)cccc2F)c1 1772571062 XRFPDVNCPJCKCN-IAGOWNOFSA-N 356.416 3.974 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 5071100 DLNNHWKVRRDIHN-MJGOQNOKSA-N 372.509 3.684 0 1 FHAF COc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 13523647 KAKUZBQFLJYLJD-UHFFFAOYSA-N 364.449 3.633 0 1 FHAF OCCCNc1cncc(-c2cnc(Nc3cccc(Cl)c3)cn2)c1 13612163 OIPNJSPRAFNNTR-UHFFFAOYSA-N 355.829 3.730 0 1 FHAF O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCN(c2ccccn2)CC1 169334385 PPOROOFLUNLTLP-XZOQPEGZSA-N 359.473 3.679 0 1 FHAF CC(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12 1857587014 MLSVTFCIKQZFBK-UHFFFAOYSA-N 368.746 3.532 0 1 FHAF CN1CCC(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)CC1 1911584240 VXYUNHBGAINGFS-WVKNIADZSA-N 352.522 3.735 0 1 FHAF COc1cc(OC)c2c(=O)c(-c3ccc(Br)cc3)c[nH]c2c1 103229461 DMUTXRYWQSCWRC-UHFFFAOYSA-N 360.207 3.975 0 1 FHAF Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=N[C@H]2CC(=O)O 27727540 QDKCFHXLUQBVRL-HNNXBMFYSA-N 366.808 3.596 0 1 FHAF O=C(O)c1ccc(Cn2ccc(OCc3ccccc3)cc2=O)c(Cl)c1 29047773 KWEJXOWFJZXSQP-UHFFFAOYSA-N 369.804 3.827 0 1 FHAF O=C(Nc1nccs1)[C@@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32 100658661 SVCMBZWRYURYMW-OAHLLOKOSA-N 365.389 3.587 0 1 FHAF COCCCc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)cc1 116197015 XJFXWKHDCZOALW-LJQANCHMSA-N 351.406 3.840 0 1 FHAF COc1cc2c(cc1CC=C(C)C)[C@]1(O)COc3cc(O)ccc3[C@@H]1O2 2356487557 DTGTZDVJTVSZDV-LEWJYISDSA-N 354.402 3.623 0 1 FHAF Clc1ccc2c(NCCN3CCN(c4ccccn4)CC3)ccnc2c1 29212848 BSZFSXXSMSKLDO-UHFFFAOYSA-N 367.884 3.517 0 1 FHAF CCN(CC)CCCOc1cc2c(cn1)[C@@H](c1ccccc1)CN(C)C2 28883587 MVPLENCWDAZKFW-OAQYLSRUSA-N 353.510 3.770 0 1 FHAF CCCC=C[C@H](OC(C)=O)[C@]1(C)C(=O)O[C@H](C(C)(C)C)C[C@H]1OC(C)=O 2356697820 RGVVQSZQMJUXMK-LJCCNALRSA-N 368.470 3.574 0 1 FHAF COc1ccc(C=CC(=O)n2nc(C)c3c2C[C@@H]2[C@@H]3C2(C)C)c(OC)c1 2356755964 HDECDSQRXVXTEG-QRWLVFNGSA-N 352.434 3.858 0 1 FHAF COc1cc(OC)c(OC)cc1/C=C(\Cl)S(=O)(=O)c1ccccc1 40848555 FSZSHIGFCLOEBQ-LICLKQGHSA-N 368.838 3.724 0 1 FHAF CC(C)c1n[nH]c2c(=O)[nH]c(Cc3ccccc3OCc3ccccc3)nc12 40395157 ZQBYOGSAPCTBKD-UHFFFAOYSA-N 374.444 3.939 0 1 FHAF O=C(CNC(=O)c1coc(-c2cccs2)n1)OCCC1CCCCC1 82084970 ZGMFOXJBFCOMAJ-UHFFFAOYSA-N 362.451 3.647 0 1 FHAF O=C(c1ccc(Br)s1)C1CCN([C@@H]2CCCC[C@H]2O)CC1 49068433 AZRFRGNTYLSATA-CHWSQXEVSA-N 372.328 3.709 0 1 FHAF Cc1ncn2c1Cn1nc(CC3CC3)nc1-c1cc(Br)ccc1-2 49109891 LHDPGSHJSSZMRH-UHFFFAOYSA-N 370.254 3.516 0 1 FHAF Cc1ccc([C@H]2NC(=S)N[C@H](c3ccc4c(c3)CCCC4)C2=O)cc1 49116218 JEAXTUVEJOXNAU-RTBURBONSA-N 350.487 3.703 0 1 FHAF CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2ccsc2)C(=O)O)=N1 96908785 OXBIDUINFHVPAR-OAHLLOKOSA-N 362.882 3.768 0 1 FHAF CCO[C@H]1C=C[C@H]2C/C=C\C[C@H](c3ccc(OC)cc3)OC(=O)C[C@@H]1O2 96915235 WIRQSWHEBGWKAM-YXYQLMTNSA-N 358.434 3.748 0 1 FHAF O=C1Nc2c(c(=O)oc3ccccc23)[C@H](c2cccc(Br)c2)N1 96931708 GHFNFCAALZBXTR-AWEZNQCLSA-N 371.190 3.780 0 1 FHAF Cc1ccccc1-c1cnc2c3n[nH]cc3c(=O)n(CC(F)(F)F)c2c1 473129064 FJCVICCMGOXQQD-UHFFFAOYSA-N 358.323 3.811 0 1 FHAF COc1cccc(CC(=O)Nc2cnc3cnc(-c4cccs4)cn23)c1 653665385 OBSUOIFUEXRXDX-UHFFFAOYSA-N 364.430 3.648 0 1 FHAF N=c1[nH]cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc-2[nH]1 587015429 PIFGTKOUPLNZTN-UHFFFAOYSA-N 363.233 3.814 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(/C=C3\OC(=O)c4ccccc43)nc2c1 586907166 TUEDDMJSXVDSOS-ZSOIEALJSA-N 354.749 3.671 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(OC)c1OC)[C@@H](C2)C3=O 587421077 RZBILZYCFBBQFW-KPZWWZAWSA-N 360.793 3.855 0 1 FHAF CCOC(=O)C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596874 POGTUHWVSFBTDI-GHTZIAJQSA-N 370.401 3.702 0 1 FHAF CCOc1ccccc1[C@@](N)(c1nc2ccc(OC)cc2[nH]1)C(F)(F)F 587092488 NOATWJZENUJRGB-QGZVFWFLSA-N 365.355 3.735 0 1 FHAF Cc1cnc(Cl)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 587085298 RFVQODVKGDGTPL-UHFFFAOYSA-N 363.252 3.747 0 1 FHAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2cc(C(=O)O)oc12 587413907 UATOXAVMNGDQDG-INIZCTEOSA-N 367.357 3.737 0 1 FHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587174255 IBUBSMWVNZUZDL-NSHDSACASA-N 374.322 3.747 0 1 FHAF Brc1cnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587016041 FGLWKPHAFGGXPL-SNVBAGLBSA-N 351.229 3.695 0 1 FHAF CC(C)COC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796927 ULVLKXOCNNVDBM-APPDUMDISA-N 372.278 3.927 0 1 FHAF Cc1cnc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2c1 586920980 AVAJKPPWRNUXEM-UHFFFAOYSA-N 363.442 3.907 0 1 FHAF CC[C@]1([C@@H](C)CN(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587740879 LGOLIBOSRMUZCA-XWCIJXRUSA-N 357.311 3.925 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H](C2)N3C)N1 587773137 JGHFXYIABGSMET-XPZRHXQJSA-N 353.279 3.574 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)O2 587393371 HGXZFQBWWXYSEV-RXSFTSLZSA-N 374.481 3.947 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN3CCC[C@@H]32)N1 587793628 RROSMFXQLZOOPB-LQAWEQHXSA-N 353.279 3.576 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccn(CC(F)(F)F)n1)CC2=O 587461487 MVGAMNXFQKSDOS-HNNXBMFYSA-N 354.328 3.810 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1nc4cc(Cl)ccc4n1C)[C@@H](C2)C3=O 587418512 BSRXJDRNPICAQS-RNODOKPDSA-N 368.820 3.898 0 1 FHAF CN1C(=O)C[C@H]2CN[C@H](c3c[nH]c4c(Cl)cccc34)c3cccc1c32 963025554 ONARVSYXOICPSN-WLRWDXFRSA-N 351.837 3.964 0 1 FHAF Oc1ccc(C2=CCN(CCCc3nc(O)c4ccccc4n3)CC2)cc1 13581593 VVYGOCQBAQDXOA-UHFFFAOYSA-N 361.445 3.763 0 1 FHAF CN(C)C(=O)C[C@]1(O)CCC[C@H](/C=C/[C@@H](O)CCCCc2ccccc2)C1 13803293 LQQOFRLZJKZLCO-DVUTXCTHSA-N 373.537 3.716 0 1 FHAF c1ccc2nc(-c3nc4ccccc4[nH]3)c(NCCCn3ccnc3)nc2c1 1857589067 ISGAKSJAHHHKKH-UHFFFAOYSA-N 369.432 3.872 0 1 FHAF CCCCCCS(=O)(=O)c1ccc(C(=O)CC[N@@]2C[C@@H]2C)c(Cl)c1 1857610445 HXLHSQSKXGQBDL-XOBRGWDASA-N 371.930 3.971 0 1 FHAF COC(C(=O)OCC[C@H]1CCCN1C)(c1ccccc1)c1ccccc1 2032993 OVTSPRWPWDXYLZ-HXUWFJFHSA-N 353.462 3.604 0 1 FHAF COC(=O)CCCCCCC[C@H](OC)[C@H](O)CCCCCCCCO 2356388467 GUOYDYSJXRSPQF-MOPGFXCFSA-N 360.535 3.989 0 1 FHAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)[C@H]1c1cccs1 6875394 FGTQTCFAIZNTPD-HUUCEWRRSA-N 369.471 3.754 0 1 FHAF Cc1ccccc1/C=C1\CNCC2=C1NC(=S)N[C@H]2c1ccccc1C 101679970 KPMRONTYOPQSJD-RKPWUKJMSA-N 361.514 3.763 0 1 FHAF COc1ccc([C@H](O)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 61907044 QEVVJOKZUKHOCZ-SFHVURJKSA-N 357.431 3.918 0 3 FHAF CC(=O)Nc1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1 38424920 AMMZAZWORXPJTI-UHFFFAOYSA-N 351.450 3.785 0 1 FHAF CC1=C(C)C[C@@H]2[C@@H](C1)C(=O)c1ccc(Br)cc1S2(=O)=O 36388413 ZBHJNVWDNOPZEP-CHWSQXEVSA-N 355.253 3.534 0 3 FHAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3ccccc3)n2)C1 82214631 CENSAHVTHGUIBI-IYBDPMFKSA-N 364.493 3.766 0 1 FHAF CCC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@H]2C1 196481989 BQARMQQMIRQXAT-WLLKLOIBSA-N 359.473 3.981 0 1 FHAF NCCSC(c1ccccc1)(c1ccccc1)c1cccc(C(N)=O)c1 84616532 ZEAMYFNKGIBVEF-UHFFFAOYSA-N 362.498 3.769 0 1 FHAF O=c1cc(-c2ccccc2)oc2cc(OCCN3CCCC3)cc(O)c12 45353606 HBTPJYFGRWBFNM-UHFFFAOYSA-N 351.402 3.640 0 1 FHAF CCCOc1cc(N2CC(c3ccc(C[C@@H](C)NC(C)=O)cc3)C2)ccn1 149630100 XXKKANRLJKGXDQ-MRXNPFEDSA-N 367.493 3.541 0 1 FHAF OC[C@H]1CCC[C@@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)C1 96175014 QDKLCRHIPUIYOF-DOTOQJQBSA-N 374.444 3.874 0 1 FHAF O=C(Cc1ccc(Cl)cc1C(F)(F)F)N[C@@H]1CCOc2ncccc21 146647164 HXFXZXFOYODVLC-CQSZACIVSA-N 370.758 3.936 0 1 FHAF C[C@@]1(c2nc3ccccc3[nH]2)c2ccccc2C(=O)N1Cc1ccccn1 95569221 UBDQVUWXXWREFH-QFIPXVFZSA-N 354.413 3.877 0 3 FHAF Cc1cccc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591430 CLLVLGXJJADGCG-JTSKRJEESA-N 373.364 3.510 0 1 FHAF O[C@@H]1C[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)c2ccccc21 586904848 VZVHMJRYWVGXGS-GXSJLCMTSA-N 364.630 3.943 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccco1)(c1nccn1C)CC2=O 587472250 ZGRJSASNHHPLGS-HXUWFJFHSA-N 352.390 3.580 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1CCc1ccncc1 587656831 QXTBRXQCJWQYGI-UHFFFAOYSA-N 363.367 3.979 0 1 FHAF COc1ccc([C@@H](O)[C@H](C)c2nc3c(Br)ccnc3[nH]2)cc1 587936737 LUAMZSPNVVUONX-XPTSAGLGSA-N 362.227 3.566 0 1 FHAF CC[C@H](C)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356027 YGILVJZNUROMQE-LFBSBKMHSA-N 358.365 3.760 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=N)c1ccncn1 587858690 MHHXTTGUIYNVBA-UHFFFAOYSA-N 362.220 3.919 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cccc(N)c1)CC2=O 587473584 YCFCZBHPUMPDJI-NRFANRHFSA-N 369.417 3.652 0 1 FHAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cnccc3[nH]2)cc1 586950093 PVLLFKFTISYDDJ-UHFFFAOYSA-N 364.430 3.734 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccn2C(F)F)N1 587713076 CAMGHKVSSPKGQR-JMCQJSRRSA-N 360.177 3.803 0 1 FHAF CCOC(=O)C(C)(C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587796974 LFYFHYTWFNMXAS-QGHHPUGFSA-N 372.278 3.927 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cncc(Br)c1C)[C@@H](C2)C3=O 587417870 MZMDFFMCUGSDKQ-APPDUMDISA-N 360.207 3.650 0 1 FHAF COc1ncc(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587766247 FXSPNMBMSVJFKM-HWPZZCPQSA-N 365.246 3.924 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](CO)C2)[C@H]1c1ccc(F)cc1 587352740 MBYXYCDBLMMDPS-LPLGYCIKSA-N 356.393 3.812 0 1 FHAF Cc1ccccc1C[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974659 KXXHUEZEMBYXCX-KXBFYZLASA-N 365.807 3.983 0 1 FHAF Cc1c(-c2ccc(N3CCC[C@@H]3CN)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772656002 JJZVACAQNUJBKN-MRXNPFEDSA-N 369.415 3.709 0 1 FHAF CCC(CC)c1nn2c(N)c(/C=C3\C=Nc4ccccc43)c(=O)nc2s1 13122705 LGVKFHPAKPPGMM-FMIVXFBMSA-N 365.462 3.893 0 3 FHAF Cc1nc(-c2ccc(S(=O)(=O)NCCCC(F)(F)F)cc2)cs1 169350820 VYXHIVYCSCRRHV-UHFFFAOYSA-N 364.414 3.739 0 1 FHAF CC[C@H](C)[C@@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204407617 PCTXAJKBMRKWDZ-BLLLJJGKSA-N 353.388 3.659 0 1 FHAF COC(=O)C1=C(C)NC(c2nccs2)=N[C@]1(C)c1ccc(Cl)cc1 1857552903 QUPSPIQCMMOUAB-QGZVFWFLSA-N 361.854 3.509 0 1 FHAF COc1ccc(N=c2[nH]ccn3c(-c4cccc(NC(C)=O)c4)cnc23)cc1 1857583090 PXEDNVILGRIJKS-UHFFFAOYSA-N 373.416 3.529 0 1 FHAF CO[C@H](c1[nH]c(=NC2CCCC2)nc(O)c1C)c1c(F)cccc1Cl 1857614611 RSSVXGHREHPYIF-INIZCTEOSA-N 365.836 3.795 0 1 FHAF COc1ccc(-c2cn(Cc3cc(-c4ccc(OC)cc4)no3)nn2)cc1 1857767503 FHHMDZNJHWMDFE-UHFFFAOYSA-N 362.389 3.666 0 1 FHAF Oc1ccccc1N1CCN(CC[C@@H](O)c2csc3ccccc23)CC1 1489635 ABYMPOVMMYXTTE-LJQANCHMSA-N 368.502 3.853 0 1 FHAF CCCCC[C@H](O)C=C[C@@H]1O[C@H]2C[C@@H](O2)[C@H]1CC=CCCCC(=O)O 2356342027 DSNBHJFQCNUKMA-KVIJGQROSA-N 352.471 3.815 0 1 FHAF CC(C)=CC[C@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27884251 WOPYURXQWMHYFG-VBYALHQYSA-N 354.487 3.691 0 1 FHAF COc1ccc(CN2C[C@H]3CN(C4CCCCC4)CCN3C(C)(C)C2)cc1 2356751893 WDVMDMCFBZCFTL-NRFANRHFSA-N 371.569 3.608 0 1 FHAF CC=Cc1cc2c(cn1)C(=O)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@@H]1C2 2356752341 XZLAVLLIHLWTLQ-DJPFJPOOSA-N 355.434 3.551 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4occc4c3O[C@H]1CO2 3203027 KPSZGBRARBOMHQ-ROUUACIJSA-N 352.342 3.570 0 1 FHAF biogenic O=N/C=C1/C=CC=CN1COCCCCOCN1C=CC=C/C1=C/N=O 214258381 DSWLQGCMIBXIOH-JTFWXBGUSA-N 358.398 3.701 0 1 FHAF Cc1ccc2c(c1)S(=O)(=O)N=[S@@]2c1ccc(Br)cc1 73195951 SIFBEIJCZLHUQX-SFHVURJKSA-N 356.266 3.680 0 1 FHAF O=C1c2cc(C(F)(F)F)ccc2NC12CCN(CC1CCOCC1)CC2 1911571344 KITLXTFYYJRLIH-UHFFFAOYSA-N 368.399 3.575 0 1 FHAF COc1cc(C)c(C)c(NC(=O)C2=CNC(=O)C[C@H]2c2ccc(F)cc2)c1 144063693 ZUFHSOGBNSPKIK-KRWDZBQOSA-N 368.408 3.577 0 1 FHAF Brc1ccc(N2CCCN(CCCc3ccccc3)CC2)cn1 473090508 WBLACFOSJFPURQ-UHFFFAOYSA-N 374.326 3.989 0 1 FHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(F)cnc2[nH]1 587258241 BWRRWRBOMSPZBG-INIZCTEOSA-N 363.396 3.669 0 1 FHAF CCCn1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587584279 ZGKJMXXKGXUZMN-FXAWDEMLSA-N 350.374 3.702 0 1 FHAF Cc1csc([C@](O)(Cc2nc3cc(C)c(C)cc3[nH]2)C(F)(F)F)n1 587094331 PVPROVUSWGRTKI-OAHLLOKOSA-N 355.385 3.937 0 1 FHAF CCCCOc1cc2nc(/C=C\S(C)(=O)=O)[nH]c2cc1Br 586922829 CPZMFVAPQLMWHP-ALCCZGGFSA-N 373.272 3.520 0 1 FHAF C[C@]1(c2cc(O)cc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612365 UOYSSEMCVDGJRS-GHTZIAJQSA-N 364.353 3.680 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccccc1OC)[C@@H](C2)C3=O 587432209 VBQPHIVPKGTICN-NYHFZMIOSA-N 361.397 3.983 0 1 FHAF N=C(N)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587039039 BRRKJEYYXDMANB-UHFFFAOYSA-N 370.503 3.905 0 1 FHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C)cc(C)c3[nH]2)c1 586931027 SBHSRYIWLIQXSC-UHFFFAOYSA-N 357.479 3.877 0 1 FHAF O=C1C[C@]2(CCCC[C@@H]2Cn2cncn2)Oc2c1ccc1c2CCCC1 587516881 FWDUQQZUABSGCE-IERDGZPVSA-N 351.450 3.751 0 1 FHAF CCCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587758787 JMKUPLRZIHQBEX-QLJPJBMISA-N 352.251 3.818 0 1 FHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1 587787072 UPANPAOKHNSHIJ-KGLIPLIRSA-N 352.390 3.524 0 1 FHAF CC(C)Oc1cc(-n2c(O)cc(CC(=O)O)c2O)c(Cl)cc1Cl 587943349 XOETYXLHYGFGQQ-UHFFFAOYSA-N 360.193 3.610 0 1 FHAF COc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cn1 587011816 CWXOSESGIZOPFT-UHFFFAOYSA-N 351.229 3.730 0 1 FHAF Cc1ccc2c3c(cc([C@@H]4CN(C)CC[C@@]4(C)O)nc13)-c1ccccc1C2=O 587096145 DTSUXNLJLFWJHV-YADARESESA-N 372.468 3.925 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3CC[C@H]2N3C)N1 587772840 XISFMIQXTDPRPB-YNSJJWNHSA-N 353.279 3.574 0 1 FHAF COc1ccc([C@@]2(CC(=O)C(F)F)NCCc3cc(Cl)ccc32)cc1 963379308 HDYALSZFJFCDNF-LJQANCHMSA-N 365.807 3.962 0 1 FHAF COc1cccc(Cl)c1-c1cncc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772627508 UPFAPNZDOGVPQY-CYBMUJFWSA-N 373.796 3.709 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1cc3cc(CO)oc3cc1C(=O)CC2 1772626185 RUQZDMXJGJAXET-UHFFFAOYSA-N 368.385 3.747 0 1 FHAF O=c1cc(N2CCOCC2)oc2cc(OCc3ccccc3Cl)ccc12 13676985 OEELBRXKPURWFW-UHFFFAOYSA-N 371.820 3.862 0 1 FHAF CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H](N)CC(C)C 169339892 YICPFUCSYSAEOE-KMQSCTNJSA-N 358.526 3.597 0 1 FHAF Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CNCc1ccco1 4782077 XDTYBZGSPHDVSF-OAQYLSRUSA-N 366.486 3.913 0 1 FHAF O=C1c2ccccc2C(=O)N1CCN1[C@H]2CC[C@H]1c1c([nH]c3ccccc13)C2 100753709 UVQGFDQHVVFXBZ-XOBRGWDASA-N 371.440 3.526 0 1 FHAF CCN(CC)CCOc1ccc(-c2cc(=O)c3ccccc3n2C)cc1 66104495 NARHLFKWCNREFH-UHFFFAOYSA-N 350.462 3.926 0 1 FHAF O=c1[nH]c(Nc2ccc3c(c2)CCC3)nc(O)c1CCCc1ccccc1 28569684 QXKXXLBLHIFKPN-UHFFFAOYSA-N 361.445 3.883 0 1 FHAF N[C@H](CCSCc1ccc(C(F)(F)F)cc1C(F)(F)F)C(=O)O 28570386 IEUNOHAJZYRWTQ-SNVBAGLBSA-N 361.307 3.759 0 1 FHAF COC(=O)c1ccc2c(c1)c1c(n2CCCn2cncc2C)CCCC1 73167342 NCEVDEUQAGAGNS-UHFFFAOYSA-N 351.450 3.902 0 1 FHAF Cc1c([C@@H]2Cc3ccccc3N2C(=O)/C=C\C(=O)O)c2ccccc2n1C 31829868 KORJBGWASHRBCG-JZHDPFOFSA-N 360.413 3.758 0 1 FHAF O[C@@H](CNCc1cc(F)ccc1F)Cn1c2c(c3ccccc31)CCCC2 73141586 CDFNBGVZJWKGJM-KRWDZBQOSA-N 370.443 3.949 0 1 FHAF COC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2cccc3ccccc23)cc1 45355486 RRGGGBBOZHYRRS-AOMKIAJQSA-N 363.457 3.881 0 1 FHAF CC[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334593 FNWYKVOXPZQVPJ-TZIWHRDSSA-N 364.376 3.986 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC23CCOCC3)N1 587836369 TVJYBNMEHYIAOC-APPDUMDISA-N 354.263 3.908 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(Cc3c(F)cncc3Cl)nc2c1 587175937 KFUVGLHQASUEOB-UHFFFAOYSA-N 354.168 3.781 0 1 FHAF CCOc1n[nH]c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1Cl 587064553 CFCABLOEHSOUHT-UHFFFAOYSA-N 368.828 3.837 0 1 FHAF FC(F)(F)Oc1cc(Br)cc2nc([C@H]3CCOC3)[nH]c12 586910733 AFJFUENAIOTAHY-LURJTMIESA-N 351.122 3.728 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2F)N1 587729794 HSPSROICSADKGN-ABKXIKBNSA-N 353.210 3.920 0 1 FHAF CCCCOC(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587790810 GTWKMAKOERQMNU-QLJPJBMISA-N 358.251 3.681 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(C)nc2ccccn12 587872456 NIRYSYTUEQJRNS-UHFFFAOYSA-N 364.380 3.733 0 1 FHAF COC(=O)c1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587115918 FDWZRYVXFIGJPQ-UHFFFAOYSA-N 372.306 3.979 0 1 FHAF Oc1nc(S)nc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083370 QLFZDWBSCLGLDF-UHFFFAOYSA-N 364.217 3.869 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(C(F)F)n1 587556499 OQRIKUFHEYEEFO-WMLDXEAASA-N 358.300 3.687 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2cc(C)c(Cl)cc2[nH]1)C(C)C 586933489 STTOMSOMWBROHQ-HNNXBMFYSA-N 357.907 3.941 0 1 FHAF COc1cc2c3c(c1)O[C@@H](C1CCN(Cc4cccs4)CC1)[C@@H](C2)C3=O 587449622 GHLVQKJICMHYPI-UWJYYQICSA-N 369.486 3.785 0 1 FHAF CCOC(=O)Cc1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 587162291 IXHCRQUIQXIGTD-UHFFFAOYSA-N 354.381 3.623 0 1 FHAF CCOC(=O)Cc1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587015853 CSDMKDHNASZWDE-OAHLLOKOSA-N 357.435 3.644 0 1 FHAF CC(C)c1nn(C)c2c1[C@@H](C1CCN(Cc3cccs3)CC1)NCC2 962915326 HKJWWQHDKZJHOD-HXUWFJFHSA-N 358.555 3.704 0 1 FHAF COC(=O)C[C@@]1(c2ccc(OC)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963108720 XZIPRMHBTHPUHX-PGRDOPGGSA-N 369.436 3.662 0 1 FHAF O=C(O)c1cccc2c1CCN[C@@H]2c1cccc(C(F)(F)C(F)(F)F)n1 963121987 MMDYLIKEPZQLST-AWEZNQCLSA-N 372.293 3.669 0 1 FHAF COc1cc(N[C@@H](C)CCCN)c2ncccc2c1C(=O)C(F)(F)F 5141503 LGDVQVMXSNNSGI-JTQLQIEISA-N 355.360 3.528 0 1 FHAF COc1cccc2c1-c1ccc3c(c1[C@@H](C(N)=O)O2)C(C)=CC(C)(C)N3 13470747 NAJLTATXAXTVKB-IBGZPJMESA-N 350.418 3.888 0 1 FHAF Cn1c2c(ccc1=O)[C@H](NCCc1ccc(C(F)(F)F)cc1)CCC2 13743275 IBIJVXMFUOIWEP-MRXNPFEDSA-N 350.384 3.614 0 1 FHAF CN(C)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl 201422318 WMOSXRMMUWZZPL-UHFFFAOYSA-N 372.856 3.579 0 1 FHAF Nc1nnc(-c2ccc3[nH]cc(-c4nccc(-c5ccccc5)n4)c3c2)o1 203726932 UYWOVNUCOZQXAD-UHFFFAOYSA-N 354.373 3.924 0 1 FHAF O=NC=C1C=CC=CN1COCCCCOCN1C=CC=CC1=CN=O 1857549616 DSWLQGCMIBXIOH-UHFFFAOYSA-N 358.398 3.701 0 1 FHAF CC1(C)N[C@@H](CCc2ccc(O)cc2)CC(=O)[C@@H]1Cc1ccc(O)cc1 1857574775 ITHHUWIFVJJZCS-PXNSSMCTSA-N 353.462 3.599 0 1 FHAF CCN1CCC(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1 1857621714 LMJQZJCJGXDLSR-UHFFFAOYSA-N 370.518 3.637 0 1 FHAF CC(=O)N(CCCCN(Cc1ccccc1)C(C)=O)Cc1ccccc1 103279724 WLYHHFHGIDGTCI-UHFFFAOYSA-N 352.478 3.864 0 1 FHAF CC(C)C[C@H]1CN(C(=O)/C=C/c2ccc(F)cc2)[C@@H](CC(C)C)C(=O)N1 103267095 DIZKDSLBAXBJBX-RJHNKFTKSA-N 360.473 3.627 0 1 FHAF Cn1ccnc1Sc1cnc(-c2ccncc2)nc1-c1ccccc1O 29128168 YEZMWIQEOAPNSY-UHFFFAOYSA-N 361.430 3.796 0 1 FHAF O=C(O[C@H]1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21 28244618 VDRDKKLNMTZAMF-OEHGHSTBSA-N 358.441 3.657 0 1 FHAF COCCn1cc2c(n1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2 28526858 YSZGTYAHCXJWGC-XWUOBKMESA-N 352.478 3.805 0 1 FHAF COc1ccc(CC[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC 1629540 AECKSTRRHRODOS-GOSISDBHSA-N 371.477 3.883 0 1 FHAF biogenic CCN(CC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(=O)n1C 71296402 NFUGMSLRPOAPFB-UHFFFAOYSA-N 352.482 3.710 0 1 FHAF COc1cc(CC/C=C/[C@@H](O)CCc2ccc(O)c(OC)c2)ccc1O 49066603 HWOXGDKTRZYALJ-UKINESCASA-N 358.434 3.598 0 1 FHAF CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CCN2C[C@H]2C)c(C)c1 43079262 NCVFXEZVQBNROF-OQHSHRKDSA-N 365.539 3.934 0 1 FHAF O=C(NCc1ccc(F)cc1Cl)[C@@H]1CCCC(=O)N1Cc1ccccc1 95566085 JQZZWWPHSOFVCU-SFHVURJKSA-N 374.843 3.677 0 1 FHAF CCCCNC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccc(OC)cc1 96286191 NQWSOKVRUVPYSN-LNVKXUELSA-N 366.417 3.909 0 1 FHAF CC(=O)c1ccc(O[C@@H]2[C@@H](O)CO[C@H]2/C=C/c2ccc(Cl)cc2)cc1 253947829 XEJQDFIMBZGRCD-ZPXLDISGSA-N 358.821 3.763 0 1 FHAF CC(=O)Nc1nc2c(s1)C1(CCN(C)CC1)Nc1ccccc1S2 299849437 QYSMHMYRXGCOFN-UHFFFAOYSA-N 360.508 3.599 0 1 FHAF C[C@]12Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@]1(O)CCC2=O 587207601 SNSKVZXFGSOHDX-RPWUZVMVSA-N 369.420 3.645 0 1 FHAF FC(Br)(Br)c1nc2cnc3ccccc3c2[nH]1 587087886 YEVUYTFWUHLBHO-UHFFFAOYSA-N 358.996 3.981 0 1 FHAF Fc1cnc(Br)c2[nH]c(CCOCc3ccccc3)nc12 587565776 KAYUFBNOOJTHPZ-UHFFFAOYSA-N 350.191 3.619 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(C)cc(OC)c(OC)c1OC)[C@@H](C2)C3=O 587443280 NIDBKRZYCDHGIH-DJJJIMSYSA-N 370.401 3.518 0 1 FHAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1F 587151334 HIHOQLFQABAOGS-CVEARBPZSA-N 369.415 3.944 0 1 FHAF COc1cc(-c2nc3cc(C)c(F)cc3[nH]2)ccc1OCC(=O)NC(C)C 587226181 VRJLWLURQUFEQL-UHFFFAOYSA-N 371.412 3.589 0 1 FHAF Cc1cc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2c(C)n1 587122844 DXNWRUSSMZPATR-QPUJVOFHSA-N 350.348 3.746 0 1 FHAF COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2c(C)cc(Cl)cc12 587627088 NOYNSWXAUGFLIN-UHFFFAOYSA-N 359.813 3.503 0 1 FHAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(CO)cc2[nH]1 587166871 CIYKJCSNLSPWOL-QGZVFWFLSA-N 354.385 3.563 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2occc2C(=O)O)N1 587826590 FHCVJYOKPFWALG-WPPNPWJKSA-N 354.175 3.503 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(F)c(F)c(F)c(F)c1F)[C@@H](C2)C3=O 587424980 ZMOICSZFAITWIK-SKLCBMLGSA-N 356.246 3.879 0 1 FHAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)cc(F)c12 587510168 VJJWRSWCDRJKRR-HXUWFJFHSA-N 355.340 3.656 0 1 FHAF C[C@]1(Cc2ncccc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587518566 LFRUOFGPGADXDG-NRFANRHFSA-N 351.402 3.625 0 1 FHAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587589599 VWMFSTSLAVAAIU-RXVVDRJESA-N 363.369 3.673 0 1 FHAF CCOC(=O)C1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587794807 GRYQEVWVCAVSSE-MGPLVRAMSA-N 370.262 3.681 0 1 FHAF CC(C)C(=O)[C@@H]1CCCC[C@@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962711274 LXZFEBGWDZRKRW-FCEWJHQRSA-N 367.411 3.943 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](n1ccnc1)[C@@H]2O 5543061 RXLJNRSVCPVTJX-BQYBFPOWSA-N 356.510 3.719 0 1 FHAF CC/[S@@](C[C@@H]1CC1(Cl)Cl)=N\S(=O)(=O)c1ccc(C)cc1 13139779 JZRAFTAUOCQBSL-JEOXALJRSA-N 354.324 3.699 0 3 FHAF CCCC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 13740709 XPLDMBFWNMAYJN-AKCHCHLHSA-N 351.494 3.733 0 1 FHAF COc1cc(/C=C/CO)cc(OC)c1OC/C=C(\C)C/C=C/C(C)(C)O 15253837 YJTIOQZTJIAHSO-GFPCQFAFSA-N 362.466 3.752 0 1 FHAF COc1ccc(N2C(=O)C[C@H]([C@@H]3C[C@H](C(C)(C)C)CCC3=O)C2=O)cc1 105510993 ZJAKQAZFSNFVHD-XOKHGSTOSA-N 357.450 3.606 0 1 FHAF CC[C@H]1CN(Cc2c(C)nc3sccn23)Cc2cc(OC)ccc2O1 55368979 IOZPBRCYQUKSGF-HNNXBMFYSA-N 357.479 3.886 0 1 FHAF CCOC(=O)Cc1c(C(C)C)c(C(=O)OCC)cn1Cc1ccccc1 28477491 XVKBQZUTGPDPGF-UHFFFAOYSA-N 357.450 3.942 0 1 FHAF COC(=O)C[C@@H]1CC[C@@H]2[C@@H]3CC(=O)C[C@]3(C)CC[C@H]2[C@]1(C)CC(=O)OC 2356410665 AFGHZESPMGURDO-WCMUOFBZSA-N 364.482 3.541 0 1 FHAF CCOC1(OCC)[C@H]2c3c(OC)cccc3[C@H]([n+]3ccccc32)C1(C)C 27517899 VFHUXKMKHQJWCZ-UXHICEINSA-N 354.470 3.827 0 1 FHAF COc1ccccc1[C@@H]1CC(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C1 27085325 AAMVGFOFHMQYFX-NSHDSACASA-N 369.804 3.814 0 1 FHAF CCCc1cnc(Nc2nc([C@@H](N)Cc3ccc(OC)cc3)cs2)nc1 61928441 UHTOCWMARZNFMF-INIZCTEOSA-N 369.494 3.880 0 3 FHAF CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCCCC2 66075003 WZVXGNPFGYVCOY-UHFFFAOYSA-N 362.422 3.981 0 1 FHAF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC=O)[C@H]3CCC(C)=C[C@@H]32)O1 2356505931 USVQIVNMRHBMAZ-CQXMTJGFSA-N 362.558 3.809 0 1 FHAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1 116232335 USZAZKRESYUUIE-UHFFFAOYSA-N 361.405 3.716 0 1 FHAF Cc1ccc(N2CCc3ncnc(NCc4ccc(F)c(C)c4)c3C2)nc1 35077818 NALREZXCDIQRQU-UHFFFAOYSA-N 363.440 3.802 0 1 FHAF COc1cccc(-c2nc(CN(CCN(C)C)Cc3ccccc3)co2)c1 72101351 AGQOFUYCKMYSOX-UHFFFAOYSA-N 365.477 3.914 0 1 FHAF CC(C)n1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O 73279418 SRWDXYXZNVIWLX-QGZVFWFLSA-N 355.482 3.744 0 1 FHAF COc1ccc(-c2csc(NCC(=O)NCc3ccccc3)n2)cc1 82192106 GANMHCLPKFFVSD-UHFFFAOYSA-N 353.447 3.547 0 1 FHAF CCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1F 82150375 ULZBRIXTPYELRM-UHFFFAOYSA-N 358.461 3.905 0 1 FHAF COCCn1c(CC(C)(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184741 KXUISJKHCZXKPU-UHFFFAOYSA-N 371.460 3.813 0 1 FHAF CCc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1 148271999 HWIKQRMFPLJDJH-UHFFFAOYSA-N 352.369 3.926 0 1 FHAF COc1c(O)ccc(OC(=O)c2c(C)cc(O)cc2O)c1CC=C(C)C 238788964 RGGLERSJYRMVRI-UHFFFAOYSA-N 358.390 3.848 0 1 FHAF O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1ccncc1 261103748 GZNGHKDXCBZWAC-UHFFFAOYSA-N 367.405 3.843 0 1 FHAF COC(=O)CCC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 299836588 NQIMRQHRRJQKRU-VIFPVBQESA-N 361.619 3.780 0 1 FHAF COC(=O)c1cc(Cl)c2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c2c1 586905360 MNUHKFSDFAKNAQ-LBPRGKRZSA-N 360.797 3.941 0 1 FHAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cccnc2[nH]1 587230197 AYJBHDUPGSLVFY-UHFFFAOYSA-N 373.416 3.847 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CC=C[C@H]1C[C@H](C(=O)O)C2 587491886 WMFJDPBVFRMZNR-RXDHQFPFSA-N 356.418 3.736 0 1 FHAF COc1cc(O)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587805476 FTKXCDSKHJXBEX-VVVCHXIZSA-N 366.230 3.926 0 1 FHAF CC[C@@]1(c2ccnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587760663 PNNACAXGTCZWGN-QFYYESIMSA-N 352.251 3.510 0 1 FHAF CC(C)COc1cccc(OCc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 587565955 NLBRYRZTECKXIL-UHFFFAOYSA-N 352.394 3.759 0 1 FHAF CCC[C@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592566 AGSRINFPPCDDGG-WIYYLYMNSA-N 370.401 3.846 0 1 FHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(F)F 587381852 IEGJZKDVGYGNEH-INIZCTEOSA-N 363.360 3.936 0 1 FHAF COc1cnc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1Cl 587064907 QAWBDNGNWBYRFJ-UHFFFAOYSA-N 354.591 3.755 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2nccn2c1 587589539 XVPSBSMHJNMILZ-GHTZIAJQSA-N 358.353 3.743 0 1 FHAF CC(C)c1nn(C)c2c1[C@H](c1cccc(OC(F)(F)F)c1F)NCC2 962911137 OZPDVXVLYVUFMH-INIZCTEOSA-N 357.351 3.816 0 1 FHAF Cc1c(F)ccc2c1[C@@](C)(c1ccc(OCCCC(=O)O)cc1)NCC2 962372086 GWACFAODKIFHOA-OAQYLSRUSA-N 357.425 3.787 0 1 FHAF O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1nncs1 12614543 WSVNJVYJNVTLQN-XYAOECAESA-N 356.289 3.601 0 1 FHAF COc1cc(Br)cc2c1[C@@H](Cc1ccccc1O)N(C)CC2 13805155 DLXCJDASYOASBG-OAHLLOKOSA-N 362.267 3.935 0 1 FHAF CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCOCC(=O)O 169316658 CVWUEAVZYKFDAH-OFCNTDHLSA-N 368.514 3.987 0 1 FHAF Cc1nc2ccc(F)c(-c3cc4c([nH]3)C3(CC3)NC4=O)c2nc1NC(C)C 206074410 WIPFTCGFZZZMDW-UHFFFAOYSA-N 365.412 3.625 0 1 FHAF C[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)NCCCc3ccccc3)C2)[C@H]2CCCCN12 203468408 SZJMBCDIKRAROM-JOZSIVFUSA-N 356.510 3.997 0 3 FHAF CNc1cc(-c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cn(C)c1=O 1857602151 BGMKWCIWURGYRO-UHFFFAOYSA-N 358.445 3.800 0 1 FHAF Cc1cc(C)n2nc(-c3ccc4nc(-c5ccccc5)n(C)c4c3)nc2n1 1857636177 DVODXTQTLQUZGR-UHFFFAOYSA-N 354.417 3.962 0 1 FHAF COc1cccc(-c2nnc(SC3=CS(=O)(=O)c4ccccc43)o2)c1 1857650802 GPJZGJWUWACZSA-UHFFFAOYSA-N 372.427 3.623 0 1 FHAF O=c1c(-c2ccccc2)nnc2n(Cc3ccccc3)c3ccccc3n12 1647481 UPGOQMMSMGYTMO-UHFFFAOYSA-N 352.397 3.760 0 1 FHAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCCOC)c1 2483400 CHUIVUKYNWNQJF-UHFFFAOYSA-N 360.454 3.804 0 1 FHAF CC(=O)c1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/c2ccc(Cl)cc2)cc1 7992580 XEJQDFIMBZGRCD-BZENXZGHSA-N 358.821 3.763 0 1 FHAF CC[C@@H](C)NC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(Cl)ccc1C 103168875 WXKKMQRZYQBAIF-LLVKDONJSA-N 374.872 3.836 0 1 FHAF Cc1ccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)cc1 103291320 GGCVLXYQJROLJG-UHFFFAOYSA-N 361.445 3.921 0 1 FHAF O[C@H](c1ccccc1Cl)[C@@](O)(Cn1ccnc1)c1ccccc1Cl 26009085 VSQNFWFFQKVCHN-QZTJIDSGSA-N 363.244 3.811 0 1 FHAF CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)nn3ncccc23)cc1 28388737 OLJWOEDAXHKELW-UHFFFAOYSA-N 367.405 3.606 0 1 FHAF CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)OC2C3CC4CC(C3)CC2C4)C1 64528027 ZQUIRXSOJSCSSN-CMPFZWEDSA-N 362.514 3.574 0 1 FHAF CCCCC[C@](C)(O)C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O 2356696409 XSGQFHNPNWBVPT-IGGJEDBVSA-N 366.498 3.641 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](N(C=O)C5CC5)CC[C@@H]4[C@H]3CC[C@@H]12 36189720 SNGXJCVQBMSSNF-SOUDSBKHSA-N 372.553 3.839 0 1 FHAF C[C@@H]1CN(Cc2ccc(F)cc2)CCN1CCC[C@H](O)c1ccc(F)cc1 38964239 GTYCNWYIXLEGCJ-VGSWGCGISA-N 374.475 3.985 0 1 FHAF O=C(O)CC[C@@H](O)c1ccc(OCc2ccc(Br)cc2)cc1 40845527 XUHLWCLYAYRPQH-MRXNPFEDSA-N 365.223 3.926 0 1 FHAF CCN(CC)C(=O)c1ccc(C2=C[C@@]3(CCNC3)Oc3ccccc32)cc1 43060755 VJIOWLHENKXJHM-HSZRJFAPSA-N 362.473 3.725 0 1 FHAF C[C@H](NCCN)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 141873300 DSYATMXSWLOIRO-GHKGYAFRSA-N 362.602 3.943 0 1 FHAF O=c1c2cc(OCCCN3CCCCCC3)ccc2nc2n1CCCCC2 299832852 UHHRCQCMWYTYSN-UHFFFAOYSA-N 369.509 3.768 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c(C(=O)O)c1C(C)C)[C@@H](C2)C3=O 587438315 NIZGPXFESHLPOU-YEJXKQKISA-N 369.417 3.816 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4c(Br)cncc4[nH]3)oc12 586903820 PDDSPUOEEGYIAP-UHFFFAOYSA-N 372.178 3.955 0 1 FHAF CNc1cccc(-c2cccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)c1 587235107 LCINLQMVSZKHEM-UHFFFAOYSA-N 350.813 3.746 0 1 FHAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587171613 QCUNJLRGYPEKMJ-NSHDSACASA-N 354.414 3.574 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Cl)O2 587380820 BCLAFUBVHNLNNQ-JTQLQIEISA-N 359.735 3.689 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3cnn(C)c3)s1)CC2=O 587496147 RXGPQCURCLTHRL-INIZCTEOSA-N 369.446 3.908 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2C2CC2)N1 587766381 VVIJACLJEURESY-HUTHGQBESA-N 364.262 3.823 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C2CC2)nc1 587590346 ZJTDXUARPQOFLJ-YLJYHZDGSA-N 360.369 3.763 0 1 FHAF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1CCF 587721097 VPEOGFZHQJDDCY-JDNHERCYSA-N 370.241 3.686 0 1 FHAF COc1ccc(NC(C)(C)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 587201119 GESLUKORUSEQHH-UHFFFAOYSA-N 350.422 3.803 0 1 FHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Cl)nc4[nH]3)cc2N1 587125367 DQMIWIWCRMYGJB-HZGVNTEJSA-N 356.739 3.782 0 1 FHAF CN1CCN(c2ccc3nc([C@H]4Cc5cc(Cl)ccc5O4)[nH]c3c2)CC1 587079937 ITEJFBGLFWDWEQ-LJQANCHMSA-N 368.868 3.644 0 1 FHAF CCOC(=O)CCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599569 XXPPNIYANSARKR-RXVVDRJESA-N 370.401 3.846 0 1 FHAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccnc(Cl)c2[nH]1 586983640 HEJRZPIEWCRRSH-JTQLQIEISA-N 351.635 3.616 0 1 FHAF N[C@H](Cc1nc2cc(Cl)cnc2[nH]1)c1ccc(Br)cc1 586996795 KNGYVLLCKCYLNH-LLVKDONJSA-N 351.635 3.616 0 1 FHAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]21CCN[C@@H]2CCCC[C@H]21 962709997 OZWQNKNSTHFHML-SKBHOOIQSA-N 360.542 3.937 0 1 FHAF COc1ccc2c(c1)[C@]1(CCN(C3CC3)C1)N(Cc1ccc(F)cc1)CC2 963304734 VITREGFXLOEQFR-HSZRJFAPSA-N 366.480 3.956 0 1 FHAF COc1cc2c(c(OC)c1OC)CC[C@]21NCCc2cccc(Cl)c21 963390333 HQQIMRFWIITJRB-FQEVSTJZSA-N 359.853 3.701 0 1 FHAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1cnco1 963856249 VKKGVZYEXKFUMZ-KDOFPFPSSA-N 372.421 3.709 0 1 FHAF CCc1ccc(-n2cnc3c(sc4cncc(N(C)C)c43)c2=O)cc1 13676165 VGKJRODLXOFOHC-UHFFFAOYSA-N 350.447 3.624 0 1 FHAF CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1 13680748 NPTOGSAVHKNFQL-UHFFFAOYSA-N 355.250 3.854 0 1 FHAF CN(C)C(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169324112 KZGZRFUHUPKRGX-AVHOZLCJSA-N 365.304 3.948 0 1 FHAF O=C1CN(Cc2cccc(C(F)(F)F)c2)C(=O)[C@@H]1Sc1ccccc1 169693691 ZTKLULRIBKQUJE-MRXNPFEDSA-N 365.376 3.778 0 1 FHAF NC(=O)c1cnc(S[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12 203902904 YELZIMYSGBRSRC-ZDUSSCGKSA-N 369.515 3.906 0 1 FHAF CC(C)N1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H](F)C1 1857540038 VNYMKPMXOYCTFQ-KGLIPLIRSA-N 366.786 3.909 0 1 FHAF CCc1c(C(=O)NCc2ccc(OC)c(F)c2)sc2nnc(C)c(C)c12 1857578543 BRIJMFLYSZRZHK-UHFFFAOYSA-N 373.453 3.948 0 1 FHAF O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2456075 LCURCBGBMNDJNO-LEWJYISDSA-N 360.457 3.582 0 1 FHAF O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCCC[C@H]1O 103205808 JSGSCRWSGFLCOR-CHWSQXEVSA-N 371.808 3.794 0 1 FHAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc1 2356302448 VTGCOMMDBJQWJS-PXNSSMCTSA-N 369.440 3.619 0 1 FHAF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]3CC[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@H]12 26395851 YJVVSONFMRLWTH-JILJFYDASA-N 359.510 3.926 0 1 FHAF CC(C)(Oc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1)C(=O)O 27525421 BHGPAABYPUNHRL-UHFFFAOYSA-N 353.418 3.599 0 1 FHAF CCS(=O)(=O)c1ccc2nn(-c3ccc(Cl)c(Cl)c3)nc2c1 72176464 GHZYEHVZHODEIG-UHFFFAOYSA-N 356.234 3.521 0 1 FHAF O=c1c2cnccc2nc(/C=C/c2ccc(F)cc2)n1-c1cccc(O)c1 225604832 LADKNCNMFILUPZ-RMKNXTFCSA-N 359.360 3.796 0 1 FHAF Cc1ccc(Nc2nc(-c3ccccn3)cc(N3CCC[C@@H](O)C3)n2)cc1 230560581 WZMYLPAUUZGUBC-QGZVFWFLSA-N 361.449 3.552 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@H]2C[C@H]1c1ccccc12 254091699 CCNUQTMMRGAWTF-FBVAEJEDSA-N 364.445 3.814 0 1 FHAF CCCN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580274 BTCIWVRPGWNJKT-GOSISDBHSA-N 353.418 3.598 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN3CCC[C@H]32)N1 587793629 RROSMFXQLZOOPB-NVGVWMPQSA-N 353.279 3.576 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3OCCC[C@@H]32)[C@H]1c1ccc(F)cc1 587355523 DQMDIBYQTWADIY-WBKMXMRLSA-N 354.377 3.828 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(C)C)c(OC)c1)[C@@H](C2)C3=O 587439686 MINWMICWAQWKFS-BTYIYWSLSA-N 354.402 3.980 0 1 FHAF Fc1cc(Br)cnc1-c1nc2cc(Br)ncc2[nH]1 587154785 DXKFEVBPHCGNLQ-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(C)C)cc1O)[C@@H](C2)C3=O 587442616 RJHUQPTUAWLUOD-KKSFZXQISA-N 354.402 3.924 0 1 FHAF CCOC(=O)C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596880 POGTUHWVSFBTDI-WIYYLYMNSA-N 370.401 3.702 0 1 FHAF Nc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575099 AOPQJTTWUMJIPO-DENIHFKCSA-N 359.381 3.778 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(C2CC2)N1 587824907 BDERMTCMBIRSGT-ABKXIKBNSA-N 356.235 3.593 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(C(=O)c4ccccc4)cn1C)[C@@H](C2)C3=O 587432845 ZIEHJXCBTKYYFF-SBUREZEXSA-N 373.408 3.753 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c1ccc(C)c2C 587479484 CJJKVAOPGFPOEW-NRFANRHFSA-N 351.402 3.774 0 1 FHAF COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 587771478 LWHUUOMDMJOEBM-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF CC[C@H](C)[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356028 YGILVJZNUROMQE-PJFOTGOESA-N 358.365 3.760 0 1 FHAF Cc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587590864 ZQZRQFZZCLJYDC-GHTZIAJQSA-N 362.385 3.676 0 1 FHAF C[C@@H]1C[C@]2(CCN1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349401 YRUBALQHOVDDLH-XFPJRNFQSA-N 355.409 3.743 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CCC[C@H](C2)N3C)N1 587767774 JIKASWSDNCOYFE-UDGQRLMISA-N 367.306 3.964 0 1 FHAF COc1cc2c3c(c1)OC1(CCN([C@H]4CCCC[C@@H]4C)CC1)[C@@H](C2)C3=O 587439086 SUEPILFUAYKSRI-WBAXXEDZSA-N 355.478 3.856 0 1 FHAF Cc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(OCc2ccccc2)c1 587559688 LEADVBBIGDAEFH-UHFFFAOYSA-N 359.385 3.990 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccccn1)([C@@H]1CCCNC1)CC2=O 587482865 JTTPAWKGPXCUSZ-QRQCRPRQSA-N 366.461 3.600 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)C=C2Cl)N1 587704948 LOEDHORGMLSNTA-VFZGTOFNSA-N 357.654 3.857 0 1 FHAF CC(C)n1cncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587755084 ODAAIUMDUCQMJH-QLJPJBMISA-N 352.251 3.989 0 1 FHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc3ccccc3[nH]2)N1 962961498 SADBQGXKVXJKGA-RHSMWYFYSA-N 362.763 3.788 0 1 FHAF Cc1nc2cc(-c3ccccc3)nn2c(C)c1[C@@H](OC(C)(C)C)C(=O)O 113874068 HQQFAUVXPCIXSL-GOSISDBHSA-N 353.422 3.954 0 1 FHAF COc1cc(Nc2cc(C(F)(F)F)nc3cc(C)nn23)cc(OC)c1 1772583698 DIJNXCUKXNYWNO-UHFFFAOYSA-N 352.316 3.817 0 1 FHAF O=C1C[C@H](c2ccccc2)O[C@]2(C1)C(=O)Nc1cccc(Br)c12 1772592233 CKMYEMRHMFFNMA-QAPCUYQASA-N 372.218 3.717 0 1 FHAF COc1cccc(NC(=O)C[C@@]2(C)N=C(c3cccc(Cl)c3)N(C)O2)c1 205208667 XNZITLKKNVJGQI-IBGZPJMESA-N 373.840 3.717 0 3 FHAF NC(=S)c1cccc(-c2cn(Cc3ccc[nH]3)c3cc(CO)ccc23)c1 1857619951 LQVJOWDUJHGPCG-UHFFFAOYSA-N 361.470 3.811 0 1 FHAF CC=C(C)[C@@H]1O[C@@H]2C(C)=C[C@](C=CC(=O)O)(CO)[C@@H]3C(C)=C[C@@]1(C)[C@@]32C 2356394920 JBEJQFQKKHSILD-BGJURXJTSA-N 358.478 3.888 0 1 FHAF CC(C)(CN1C(=O)CC(=O)N(C2CCCC2)C1=O)c1cccc(Cl)c1 101678006 NCMWKCBRKVEZIW-UHFFFAOYSA-N 362.857 3.741 0 1 FHAF OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(F)c(Br)c2)CCC1 100782051 XDQBQXFADPWQNY-CQSZACIVSA-N 363.190 3.851 0 1 FHAF Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1 36338843 MISHNIBQCHEFIJ-UHFFFAOYSA-N 364.518 3.765 0 1 FHAF COc1cc(C)c2nc3[nH]nc(C)c3c([C@H](O)c3ccc(F)cc3)c2c1 73199090 LIOALESSXWPFLD-LJQANCHMSA-N 351.381 3.957 0 1 FHAF COc1ccc(C(=O)Cn2c3c(sc2=N)C[C@@H]2CCCC[C@H]2C3)cc1 137158738 YNEUZJLJVACODT-GJZGRUSLSA-N 356.491 3.826 0 1 FHAF COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@H]1c1ccccc1 95599864 SLBKPGZOWIJAKX-SFHVURJKSA-N 370.449 3.704 0 3 FHAF O=C(C1CC1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO 95878287 CFOGSURRWQCXSO-YYWHXJBOSA-N 366.436 3.579 0 1 FHAF O=C(NC(=O)c1c(O)cccc1O)N[C@@H]1c2ccccc2[C@H]2CCCC[C@H]21 653794447 UKHSLTFJOOHTDO-ZXYWRSMDSA-N 366.417 3.566 0 1 FHAF C[C@]1(CN2Cc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587518556 LCSLCNHAYUSBOL-HSZRJFAPSA-N 361.441 3.945 0 1 FHAF N=c1ncc(-c2cccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)c[nH]1 587255027 VSKFTKXUAKJSQW-UHFFFAOYSA-N 359.286 3.656 0 1 FHAF COC(=O)c1cccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12 587081883 XQJDOOLKEBGXTQ-UHFFFAOYSA-N 357.797 3.604 0 1 FHAF Cc1[nH]nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587692587 BJVATVMOKGBMNX-DAZKTRTLSA-N 358.642 3.897 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](n1cnnc1)C3 587105289 XAKXBHIJQFLUTL-CYBMUJFWSA-N 352.397 3.768 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 586893980 XCDJJRPDFYREAK-XOBRGWDASA-N 352.434 3.814 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(N)CC(C)(C)C2)N1 587745080 JJQLGOGWBPMCEU-QGHHPUGFSA-N 353.279 3.980 0 1 FHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 587241706 HNUUAOYJZRTWPD-UHFFFAOYSA-N 374.242 3.719 0 1 FHAF COC(=O)[C@@H](C)n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512320 MWDAYGZABLREKC-YJYMSZOUSA-N 353.418 3.807 0 1 FHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccnc(Br)c2[nH]1 587070821 UKCVNDBJTJVBGM-JTQLQIEISA-N 365.662 3.659 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OC)c2ccccc21 587484203 YUDWDKQAIHGMJF-ZHRRBRCNSA-N 366.413 3.866 0 1 FHAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1 586950579 JMOWCURYGYOLSE-UHFFFAOYSA-N 366.446 3.928 0 1 FHAF O=C(O)c1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167451 NKLBLFMDGOUUPK-MRXNPFEDSA-N 368.368 3.769 0 1 FHAF Cn1cc([C@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517127 HIDBDVKAZBMQFK-QHCPKHFHSA-N 374.440 3.914 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1oc3cccnc3c1N)CC2=O 587468053 AHXRJSTYSLPMBT-HXUWFJFHSA-N 352.390 3.949 0 1 FHAF N=c1[nH]cc2nc(CCN3c4ccccc4Sc4ccccc43)nc-2[nH]1 587039974 IFCUEPOMVKSJQU-UHFFFAOYSA-N 360.446 3.562 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncn2ccccc12 587589628 WFLBCQGUURIATH-UWJYYQICSA-N 358.353 3.743 0 1 FHAF Brc1ccc(C2=CSc3nnc(-c4ccncc4)n3N2)cc1 957877289 NUIPVCAWMJEJQY-UHFFFAOYSA-N 372.251 3.750 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@@](c2ccco2)(C(F)(F)F)N1)C(F)(F)F 962731437 RXTSJYMKBBKQJI-BXUZGUMPSA-N 363.257 3.731 0 1 FHAF Cc1nn(C)cc1[C@H](C)Nc1nncc(-c2ccc(C(F)(F)F)cc2)n1 11717361 LNPHKHANJCYWMS-JTQLQIEISA-N 362.359 3.772 0 1 FHAF O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(C4CC4)ccc3n2c1 1857589410 KPFZLQPTZSESAS-NRFANRHFSA-N 359.473 3.794 0 1 FHAF CCCN(C/C=C/I)[C@@H]1CCc2cc(O)ccc2C1 13739885 AQKFTLWWZGTUKW-WEJQMCOXSA-N 371.262 3.910 0 1 FHAF COc1cc(C(C[C@@H](C)[C@H](C)CO)c2ccc(O)c(OC)c2)ccc1O 2356422169 HPMLLVLUXZPREW-ZIAGYGMSSA-N 360.450 3.902 0 1 FHAF CCCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(C)C2=O)cc1 4931914 DGNNHNNFOVKMGM-RGEXLXHISA-N 350.418 3.613 0 3 FHAF CN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1ccccc1Br 28258160 RNMPAAHKRISTNC-DOTOQJQBSA-N 351.288 3.586 0 1 FHAF Brc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1 103168730 MIVTWTMTKJHXCH-UHFFFAOYSA-N 370.250 3.896 0 1 FHAF CC(C)N(C(=O)Nc1ccccc1)c1cccc(N2CCN(C)CC2)c1 58583190 KVHFVGMFACJKKD-UHFFFAOYSA-N 352.482 3.885 0 1 FHAF FC(F)(F)c1ccc2c(N3CCNCC3)ncc(-c3ccsc3)c2n1 24903975 HLEOOYPBDFQBGE-UHFFFAOYSA-N 364.396 3.787 0 1 FHAF CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N 28966147 SZIXMPCDFZGATL-UHFFFAOYSA-N 367.312 3.736 0 1 FHAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C3=CC(=O)OC3)=CC[C@]12O 2356512322 YGABECOLNBBTLH-MMRNMUOHSA-N 372.505 3.524 0 1 FHAF CCCCOc1cccc2cc(C(=O)NCc3ccccc3)c(=O)oc12 211053152 MATSLLPQHZOIJS-UHFFFAOYSA-N 351.402 3.902 0 1 FHAF Nc1nc(N)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1 35966324 DABURTRNCGLEMD-UHFFFAOYSA-N 357.339 3.816 0 1 FHAF CCCN1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccncc1 1911580730 IYSNCTAZKXGADA-QGZVFWFLSA-N 360.255 3.598 0 1 FHAF COc1ccc(C[C@H](N)c2csc(NC(=O)c3ccc(C)cc3)n2)cc1 82083448 DQXOSUHSADBVQG-KRWDZBQOSA-N 367.474 3.955 0 1 FHAF O=C(Oc1cccc(Cl)c1)N1CCN(c2ncccc2Cl)CC1 49033353 VGCOQJLQONFPQX-UHFFFAOYSA-N 352.221 3.709 0 1 FHAF CCN1CCN([C@@H](C(=O)NC2CCCCC2)c2cc3ccccc3o2)CC1 199395020 UCMJKGGOHVFABH-OAQYLSRUSA-N 369.509 3.560 0 3 FHAF CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)CNC3=O)CC1 84688558 UFULLCXQSXNKKG-UHFFFAOYSA-N 373.497 3.769 0 1 FHAF O=C(NC1CC1)c1ccc(-n2cnc3cc(C(F)(F)F)ccc32)s1 84597090 MVCWCYLUXAGFSM-UHFFFAOYSA-N 351.353 3.998 0 1 FHAF c1cnc(OC2CN(c3ccc4ccccc4n3)C2)c(C2CCOCC2)c1 96168952 POTQZHWFQLJFNA-UHFFFAOYSA-N 361.445 3.791 0 1 FHAF Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)C3CCCC3)cc2)cc1 653842837 IPQFASYJHPSAIH-UHFFFAOYSA-N 359.447 3.891 0 1 FHAF Fc1cccc(Cn2nnc(-c3nc4c(Cl)ccnc4[nH]3)c2Cl)c1 587160889 HXFBFISKAKWMIO-UHFFFAOYSA-N 363.183 3.711 0 1 FHAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587805506 GGEZLFXEOZZBNL-HUTHGQBESA-N 366.230 3.926 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(N)ccc32)N1 587743597 DTAHCWUFPFOOQV-MGNBDDOMSA-N 361.258 3.894 0 1 FHAF COc1ccncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587771262 BTVGCPOBJZKKIR-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF CCOC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587514728 OMQFKZOYPZIZES-NRFANRHFSA-N 357.450 3.910 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCN3CCCC3)c1)O2 587396620 UTPNREAEUKRHIR-OAQYLSRUSA-N 366.461 3.758 0 1 FHAF C[C@@H]1CCCN(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587584385 XJHVJIOVQLZTGQ-MPHOGZCYSA-N 367.445 3.844 0 1 FHAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)cc1 587650162 OWIREIAEKDXVSX-UHFFFAOYSA-N 363.385 3.995 0 1 FHAF CCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347090 LBMHHSMZJOXZKR-ICSRJNTNSA-N 358.365 3.602 0 1 FHAF Oc1ccc(C2(c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)CC2)cc1 586895825 ARHZSFKYZOHVNF-UHFFFAOYSA-N 354.719 3.762 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(F)c(C(F)(F)F)c1)NCC2 962934859 KKXSPRRKWKNAJL-QGZVFWFLSA-N 366.358 3.781 0 1 FHAF CCOc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)ccc1O 962627130 KTFQZIIZMUJVIL-LRTDBIEQSA-N 357.450 3.774 0 1 FHAF COCCCOc1cccc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c1 963631349 CYBYXLZAQRHOHD-QRQCRPRQSA-N 371.477 3.743 0 1 FHAF Nc1c(C(=O)c2cccc(-c3cccnc3)c2)cnn1-c1ccc(F)cc1 13683053 MDPZNDLAGKIDFD-UHFFFAOYSA-N 358.376 3.887 0 1 FHAF O=[S@@](Cc1ccccc1N1CCCCC1)c1nccn1-c1ccccn1 13746265 YLGBHDQWJWALNZ-AREMUKBSSA-N 366.490 3.565 0 1 FHAF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@@H]2C)cc2c1OCO2 15217747 ALMMZKOPVITQNK-HURSWHOMSA-N 370.401 3.675 0 1 FHAF endogenous,in-man CCc1cccc2c1[C@@H](N=O)C(=O)N2Cc1cc(F)cc2c1OCOC2 169722209 YNAKNLXNQMTXCI-QGZVFWFLSA-N 356.353 3.609 0 1 FHAF C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC/C(=C\C(=O)O)C(=O)O 1857618094 BGAUVWFUBPXFPC-QCDLIYEQSA-N 364.438 3.726 0 1 FHAF C1=N[C@@H]2[C@@H](N=NN2Cc2ccccc2)C(Sc2nc3ccccc3o2)=N1 1857750033 TTZAXHQGXJNBKA-CVEARBPZSA-N 362.418 3.938 0 1 FHAF O=C(N[C@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@@H]21 597349 LDYMIBZOCSHLBG-JCGIZDLHSA-N 360.885 3.583 0 1 FHAF COC(=O)c1c2c(cc3c1C[C@]1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2 1646196 JYSSUGUBXSEPIN-RUZDIDTESA-N 372.464 3.975 0 1 FHAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]43C)[C@@H]1CCC2=O 2509501 ZMITXKRGXGRMKS-FTNQIXBISA-N 370.511 3.786 0 1 FHAF Cc1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc(C(N)=O)c1 101363776 LJTNAYABPZKATH-KXTWHKPSSA-N 350.462 3.668 0 1 FHAF C[C@@H]1CCCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)C1 104190384 KGDVXSMYYHIJBO-XGRCMKMKSA-N 374.484 3.782 0 3 FHAF CO/C(O)=C1\C(C)=Nc2nc(-c3ccccc3)nn2[C@H]1c1ccc(C)o1 101664638 QNERVYYPLRJEBR-XIGQLOAZSA-N 350.378 3.958 0 1 FHAF NC(=O)NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1 101048695 LMPLONXZQILWNS-UHFFFAOYSA-N 358.401 3.722 0 1 FHAF CCc1cc2c(s1)Nc1cc(F)c(F)cc1N=C2N1CCN(C)CC1 27992032 HRFSXBSLHXKDLL-UHFFFAOYSA-N 362.449 3.971 0 1 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@H]1[C@H](C)[C@@H](C)C(=O)C3 29219159 QKEMXTZZPULBCH-IDEQHVFWSA-N 353.506 3.835 0 1 FHAF COC(=O)C[C@@]12CC[C@@H](O1)[C@](C)(CCC[C@@H](C)[C@@H](O)CC=C(C)C)OC2 27886421 IKRKGVARPWZVAW-MTFRMWQMSA-N 368.514 3.780 0 1 FHAF NCC[C@@H](C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1 63298351 XYZNKCSDQRKAFR-CYBMUJFWSA-N 363.248 3.941 0 1 FHAF CCS[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccccc4F)cc3C(=O)N2C1 15708915 GCTGMEIFWQRKBZ-UGSOOPFHSA-N 370.449 3.781 0 1 FHAF biogenic CS(=O)(=O)c1cccc(-c2cccn3nc(Nc4ccccc4)nc23)c1 84728007 WDNHLKQUQTYIIP-UHFFFAOYSA-N 364.430 3.543 0 1 FHAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1COc2ncsc21 220862012 JYLMXYYAJLKPAJ-QMMMGPOBSA-N 362.760 3.608 0 1 FHAF Nc1nccc(-c2ccc3nc([C@@H]4COc5ccc(F)cc5C4)oc3c2)n1 40860911 SKTFFJCCFCEJCG-ZDUSSCGKSA-N 362.364 3.725 0 1 FHAF C=CC(=O)Nc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1 147152080 DBBOSESLOUEALZ-UHFFFAOYSA-N 350.378 3.515 0 1 FHAF CN(C(=O)c1cccnc1)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 254017803 OPHYBCBINOHLIH-LXGCGDOSSA-N 373.447 3.561 0 1 FHAF Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1NC(=O)c1occc1C 473167911 IQNDVWAKBUZBNY-UHFFFAOYSA-N 360.369 3.949 0 1 FHAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccccc2Cl)cc1OC 473134941 DIJFPQUCXGTIQW-JKSUJKDBSA-N 360.837 3.932 0 1 FHAF C[C@@H](CSc1nnc(-c2ccncc2)s1)C(=O)NCc1ccccc1 473084526 RFLGQTPAHZBUNA-ZDUSSCGKSA-N 370.503 3.645 0 1 FHAF Cc1nc(O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590088 XORKILMKKJBVMD-WIYYLYMNSA-N 363.369 3.678 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2N)N1 587728934 UIJRHKCKTWGYPJ-ZKANADHPSA-N 353.210 3.933 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC)c(OC)cc2[nH]1 586915528 FNXZSSBAPCQZAQ-QKKBWIMNSA-N 366.417 3.797 0 1 FHAF CC1=C(c2ccc3nc(CNc4ccccc4Cl)[nH]c3c2)NNC(=O)C1 587061762 JVCLRQPOGHEYTK-UHFFFAOYSA-N 367.840 3.584 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 587059137 ORQVGOXGMCAIGM-HNNXBMFYSA-N 357.841 3.564 0 1 FHAF O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587616006 YMMLGLGFSIHSDU-VQIMIIECSA-N 352.367 3.969 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cc(Br)cnc13)O2 587373225 SJFIJANKOVDUPS-OAHLLOKOSA-N 372.222 3.923 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)ncc1F)O2 587387733 WAUCDCNFVPIKSY-INIZCTEOSA-N 365.202 3.754 0 1 FHAF COC(=O)Cc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526980 TZVLYQDFYKBSRT-FQEVSTJZSA-N 350.414 3.987 0 1 FHAF Cc1nn(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587545657 HWAGOPJNYFHXSW-AUUYWEPGSA-N 370.792 3.790 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1coc4cc(C)c(C)cc4c1=O)[C@@H](C2)C3=O 587450177 DVEHPPLEJNJDHI-OYHNWAKOSA-N 362.381 3.907 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)co2)N1 587829027 PUXVWNBFXYWWMA-BCTVWOGZSA-N 368.202 3.677 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1COc1ccccc1F 587566609 AAMIFPSSDCJFQC-RBUKOAKNSA-N 366.344 3.941 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC2OCCO2)N1 587830760 FQBOEZGKJHCMMG-ZWNOBZJWSA-N 358.251 3.707 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(C)n1-c1ccccc1 587871709 NPBGNIOEXSEDCX-UHFFFAOYSA-N 363.396 3.966 0 1 FHAF CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587398682 GHEIRQXXQOLUNN-IVZHQMGZSA-N 359.466 3.917 0 1 FHAF Cc1[nH]c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C=O 587791263 KRVQVLBXWNCLKX-CQLKUDPESA-N 365.246 3.969 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@]2(CCC23CCCC3)N1 962632512 IZIDNJLTYUPUBG-SJCJKPOMSA-N 355.356 3.734 0 1 FHAF CN(C)CC(C)(C)[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955880 MZESWHCCJPBAGN-KRWDZBQOSA-N 370.459 3.986 0 1 FHAF O=c1cc(-c2cccc(-c3cccc(O)c3)c2)sc(N2CCOCC2)c1 13538740 LMYNBPQFHRBSBH-UHFFFAOYSA-N 365.454 3.985 0 1 FHAF O=C1c2ccccc2C(=O)N1CCN1[C@H]2CC[C@@H]1Cc1[nH]c3ccccc3c12 13861336 UVQGFDQHVVFXBZ-VLIAUNLRSA-N 371.440 3.526 0 1 FHAF CC(C)NC(=O)c1ccc2cc([C@](O)(c3c[nH]cn3)C(C)C)ccc2c1 591272 XVSPNIQMNAPNKK-NRFANRHFSA-N 351.450 3.593 0 1 FHAF Cc1nc2nc(N3CC=C(c4ccc(Cl)cc4)CC3)ccc2[nH]c1=O 58981019 FXVMRCUBPRPLTJ-UHFFFAOYSA-N 352.825 3.574 0 1 FHAF CC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C)cc2)c1)C(=O)O 29127348 DUQDIFIIEUZSTQ-MRXNPFEDSA-N 355.434 3.587 0 1 FHAF Cc1ccccc1-n1ncc2c(=O)n(-c3ccc(Cl)cc3)c(C)nc21 28951888 ZHNTXQSBMKGLSO-UHFFFAOYSA-N 350.809 3.842 0 1 FHAF CCc1cccc([C@H]2CN3CCc4cc(OC)c(OC)cc4[C@@H]3C[C@H]2N)c1 38345434 ZJBDICRKAFUJEV-NJYVYQBISA-N 366.505 3.680 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCOc2ncsc21 220855565 CXHKBRQQMRUUQA-SNVBAGLBSA-N 357.262 3.941 0 1 FHAF COc1cccc(-c2ccc3nsc(N4C[C@H](C)O[C@H](C)C4)c3n2)c1 1911580577 VPLYRTKBDNTNMY-BETUJISGSA-N 355.463 3.981 0 1 FHAF CCCCOc1ccc(C2=N[C@H](C(=O)OCc3ccccc3)CO2)cc1 49048992 NCFCBGQHLSHPCN-IBGZPJMESA-N 353.418 3.754 0 1 FHAF CCCc1nc2c(NCc3ccccc3)ncnc2n1C[C@@H]1CCCO1 82178654 VVJLYNGVDVZKJC-INIZCTEOSA-N 351.454 3.570 0 1 FHAF COc1cc(C(C)=O)ccc1O/C=C\c1ccc(OC(C)=O)c(OC)c1 238771105 ZLCSJOPDZMBUBJ-KTKRTIGZSA-N 356.374 3.881 0 1 FHAF COC(=O)C1=CCC[C@@H]([C@H]2C[C@H](c3ccoc3)OC2=O)[C@@]1(C)CCC(C)=O 238756368 SUFYVCNRYHWBMC-VWFIUDSGSA-N 374.433 3.769 0 1 FHAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587585832 GSDGYWVQYAGBPN-WIYYLYMNSA-N 363.369 3.673 0 1 FHAF COc1cc2c3c(c1)O[C@@](C[C@H]1CCOC1)(c1ccccc1)[C@@H](C2)C3=O 587449425 BMOAVOYPFAYLBA-GHNFSYLKSA-N 350.414 3.765 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccncc3)nc1C)CC2=O 587474685 GNOZSBGBHKXGCQ-HXUWFJFHSA-N 363.417 3.940 0 1 FHAF Cc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1C 587148986 LLLQGYZETOGCFK-AWEZNQCLSA-N 355.388 3.974 0 1 FHAF COc1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)nn1-c1ccccc1F 587156303 KLIDMFIJVQXYRP-UHFFFAOYSA-N 361.739 3.751 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)cnn1C)CC2=O 587458950 VNCBDFVHDCYVIS-AWEZNQCLSA-N 365.227 3.547 0 1 FHAF FC(F)(F)c1ccn(CCc2nc3cc(Cl)c(Cl)nc3[nH]2)n1 587118437 MNLZIQAMCXBHOB-UHFFFAOYSA-N 350.131 3.723 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2CCO 587609672 OVEQNODENBNVIO-DHUIEDIVSA-N 354.402 3.665 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccc(Cl)cc2)no1 587651254 GAEPJQZPLOFMEZ-UHFFFAOYSA-N 359.172 3.743 0 1 FHAF COC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587108923 JIFWAJJLBGLQIN-UHFFFAOYSA-N 364.279 3.734 0 1 FHAF C[C@@]1(Cn2cccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342935 QUCSTASRPGSRMG-ICSRJNTNSA-N 352.365 3.546 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C(=O)O)N1 587825687 HWWSCECJXDTQCF-JDNHERCYSA-N 364.214 3.910 0 1 FHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(OC)cc2[nH]1 586962346 DDICHMHYNYMDFK-CQSZACIVSA-N 360.439 3.628 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(C(C)(C)C)no2)N1 587792585 JBEPJGJRHHNUBB-SDBXPKJASA-N 368.250 3.892 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cncc1F 587566869 AYBHILJHGXGJSX-VQIMIIECSA-N 355.296 3.768 0 1 FHAF COC(=O)[C@@H]1[C@H](C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587810588 UWPTVBHTWGGBOD-HMBIMRGZSA-N 370.262 3.537 0 1 FHAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cnn(CC)c3)c2c1 587643204 RVSTVNRCCLLVNL-LBPRGKRZSA-N 353.422 3.915 0 1 FHAF FC(F)(F)COc1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)ccn1 587091401 KCTBQAPTICMPCF-UHFFFAOYSA-N 362.233 3.980 0 1 FHAF COC(=O)c1ccc(Oc2ccc3nc(Cc4cccnc4N)[nH]c3c2)cc1 587253152 AVSQPKYBWAOIPI-UHFFFAOYSA-N 374.400 3.710 0 1 FHAF COc1cc2c(cc1OC)[C@H]([C@@H]1C[C@H]1C)N(C(=O)c1ccccc1N)CC2 963157384 LELMCEXFWOONMH-FQWGINHLSA-N 366.461 3.682 0 1 FHAF COc1cccc(O[C@H](C)[C@@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)c1 963643634 ZZZQVYFKGFVMIB-DOQJBMMISA-N 371.477 3.929 0 1 FHAF CN1C(=O)C[C@H]2CN[C@@]3(CC4(CCC4)Oc4ccccc43)c3cccc1c32 963018886 CWZIGNYVZRCANQ-NPMXOYFQSA-N 360.457 3.689 0 1 FHAF CCCN1[C@@H](C)Cc2ccccc2[C@]12c1ccccc1CCC2(CO)CO 963244943 YINILEMROQITIC-UUOWRZLLSA-N 365.517 3.504 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@](Cc3ccccc3)(c3cccnc3)c3cccc1c32 963035624 SHWSMRGPOPSQRG-HOYKHHGWSA-N 369.468 3.621 0 1 FHAF Cn1cc(C2=C(c3cccc(C(F)(F)F)c3)C(=O)NC2=O)c2ccccc21 13447865 IHTJAOYORDQOPO-UHFFFAOYSA-N 370.330 3.764 0 1 FHAF Cc1ncc(-c2cc(=O)n3nc(C)c(-c4ccc(Cl)cc4)c3[nH]2)c(C)n1 19552603 CIKGZILEDVKPQE-UHFFFAOYSA-N 365.824 3.725 0 1 FHAF C[C@H](NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1)C1(C)CC1 166377835 FXFDUCDFYZIJOL-AWEZNQCLSA-N 364.449 3.548 0 1 FHAF Cc1ccc(N2CCc3ncnc(NCc4cc(F)ccc4F)c3C2)nc1 202608561 JROCZQHXKUBPFT-UHFFFAOYSA-N 367.403 3.633 0 1 FHAF CCCCCn1c(CS(=O)(=O)c2ccc(N)cc2)nc2ccccc21 1857643748 HPLSUMJSHIDRFB-UHFFFAOYSA-N 357.479 3.783 0 1 FHAF Cn1cc(-n2cnc3ccc(OCc4ccc5ccccc5n4)cc32)cn1 103245999 BNZILYNMPNARFA-UHFFFAOYSA-N 355.401 3.886 0 1 FHAF CO[C@@]1(C)CC[C@H]2[C@H](C)CC[C@@H]3[C@@H](C)C(=O)N(Cc4ccccn4)[C@H](O1)[C@H]23 27557318 AKJBOILCNJVMIB-VZYUPRKWSA-N 372.509 3.838 0 1 FHAF O=C(N[C@@H]1CCN(CCc2cccc(F)c2)C1)C12CC3CC(CC(C3)C1)C2 26498026 MLEAHYSIISPZEO-RXXSEBCPSA-N 370.512 3.775 0 1 FHAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3C[C@@H](C)O[C@H](C)C3)[C@@H]12 28000228 SVUHEEJUVZSJIK-DYJFIGRHSA-N 363.542 3.880 0 1 FHAF CCCc1ccccc1OCCCOc1cccc([C@@H]2OC(=O)NC2=O)c1 27179849 PSRCPDFTPXSARE-IBGZPJMESA-N 369.417 3.795 0 1 FHAF COC(=O)C1=C(c2cccc(Cl)c2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 36384352 ARNXAUNGAFBBLH-DOTOQJQBSA-N 374.868 3.623 0 3 FHAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[C@H](C)[C@H](C)[C@@H]2O 14641097 JFWINFODWGRQNJ-QODPJLHVSA-N 356.418 3.884 0 1 FHAF biogenic O=C(O)CCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1 43152542 KWWUGVCSFKNBOZ-UHFFFAOYSA-N 363.822 3.549 0 1 FHAF COCCn1c(C)c(C)sc1=NC(=O)c1cc(SC)ccc1Cl 254078001 PNZWDJAFLKBLMT-UHFFFAOYSA-N 370.927 3.929 0 1 FHAF CCCC(=O)SCCCCCCNC(=O)c1cc(-c2ccncc2)[nH]n1 653714154 FFGOOPSVOPLXMB-UHFFFAOYSA-N 374.510 3.822 0 1 FHAF Cc1nc(N2CC[C@H](O)C2)ccc1-c1cc(C(F)(F)F)cc2[nH]ncc12 653851565 PWRMQUDNGXLDFA-LBPRGKRZSA-N 362.355 3.523 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ncccn3)o1)O2 587412063 WZZRXARTTXFPMQ-OAHLLOKOSA-N 353.403 3.818 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(F)F)N1 587719591 LHSWIYXBTOESCC-UOWDBTKRSA-N 350.178 3.562 0 1 FHAF Fc1cnc(Br)c2[nH]c(-c3cncc(C(F)(F)F)c3)nc12 587115732 ZJWPBQVBZHOOKP-UHFFFAOYSA-N 361.096 3.940 0 1 FHAF COc1cc2c3c(c1)O[C@](C[C@H](C)C(=O)O)(c1cccc(F)c1)[C@@H](C2)C3=O 587426602 FERDOMBYUIDZDQ-SBOBAANCSA-N 370.376 3.588 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(=O)c1ccccc1Br)O2 587377083 KVHDSPGPTWYQDB-HNNXBMFYSA-N 360.207 3.556 0 1 FHAF Cc1ccc(C)c2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 587147898 COMSUITXFAGBKH-CQSZACIVSA-N 355.388 3.974 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H]1COC(=O)C1)CC2=O 587493158 SHKVRAVJHFXAMQ-NYHFZMIOSA-N 366.413 3.769 0 1 FHAF N=c1[nH]c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)nc-2c(Cl)[nH]1 587082745 FAWMJKPFBDFLGH-UHFFFAOYSA-N 365.611 3.892 0 1 FHAF O=C1C[C@@]2(CCN3Cc4ccccc4N[C@H]32)Oc2c1ccc1c2CCCC1 587521088 AEYHXQXEGLULEI-DHIUTWEWSA-N 360.457 3.927 0 1 FHAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(F)c(F)cc2[nH]1 586984041 MQKPKLIBYJCKQC-GFCCVEGCSA-N 352.182 3.846 0 1 FHAF CCOC(=O)Cc1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 587780855 KJLZXRRVNOFMCN-RMKNXTFCSA-N 350.418 3.899 0 1 FHAF COc1ccc(Cc2nc3c(F)cnc(Br)c3[nH]2)c(F)c1 587148575 KKKRSQLAWXAWSH-UHFFFAOYSA-N 354.154 3.598 0 1 FHAF COc1ccnc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587769493 GKLUUNYVDCJLCG-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF O=C(CCc1cccs1)c1c(CO)oc2cc(Br)cnc12 587275457 AIMKNNFJVYSXDX-UHFFFAOYSA-N 366.236 3.960 0 1 FHAF COC(=O)C[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H]1C 586993228 VJKGBIXGANBBNN-RYUDHWBXSA-N 373.408 3.991 0 1 FHAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(Br)nc3[nH]2)cc1 587934386 DIQZYBRKRRAKAH-LKFCYVNXSA-N 362.227 3.566 0 1 FHAF Oc1cc(-c2ccccc2F)c(O)n1-c1nc(N2CCCCC2)ncc1F 587944389 GAECXRDKGDVBLC-UHFFFAOYSA-N 372.375 3.614 0 1 FHAF NS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587026609 GJTWKYOKZBFFBX-UHFFFAOYSA-N 355.444 3.606 0 1 FHAF CN1CCN(c2ccc3nc(CCc4cc5ccccc5o4)[nH]c3c2)CC1 586907576 MZOXVTFWICEYGM-UHFFFAOYSA-N 360.461 3.846 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1ccc(N)cc41)[C@@H](C2)C3=O 587437531 GJPYERUJPJPASB-AOMKIAJQSA-N 360.413 3.738 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ncn2)N1 587707399 VIQUEQWGJRULHA-AYVTZFPOSA-N 370.653 3.829 0 1 FHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(F)ccn2)N1 963189559 WYOAOPOACZWYIV-RISCZKNCSA-N 374.721 3.581 0 1 FHAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1C1=CCCC1 963152094 UATZBSAVSXJQDE-QWHCGFSZSA-N 350.440 3.541 0 1 FHAF Cc1ccc(-n2cc(C(N)=O)c(=O)c3ccc(-c4ccncc4)cc32)cc1C 5930982 FPZQMWONSFGHFP-UHFFFAOYSA-N 369.424 3.768 0 1 FHAF CCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 13560471 NQJCTWSXXZBQGX-UHFFFAOYSA-N 350.503 3.768 0 1 FHAF O=C(N=c1[nH]nc(S)s1)Nc1ccc(Cl)c(C(F)(F)F)c1 1857569901 CATRHWNLGHUOPY-UHFFFAOYSA-N 354.766 3.565 0 1 FHAF COc1cc2nc(SCc3c[nH]c4ccccc34)oc(=O)c2cc1OC 27527250 HPRPEVHYMIBGJT-UHFFFAOYSA-N 368.414 3.979 0 1 FHAF Cc1cc(C(C)C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2n1 113422861 IAWFRMLXGRQFIJ-UHFFFAOYSA-N 360.465 3.742 0 1 FHAF CCc1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CC[C@H](c1ccccc1)O3 28867371 NZAQUNQEECDEKJ-LJQANCHMSA-N 363.461 3.973 0 1 FHAF COc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(OC)c3)[nH]n2)c(C)c1 61896012 TZZZAOLLTPUQSV-UHFFFAOYSA-N 367.405 3.663 0 3 FHAF O=C(c1ccc2[nH]c(=O)sc2c1)N1CCC[C@H]2c3ccccc3C[C@@H]21 117622787 NCCLTCBQMWNGTR-RDJZCZTQSA-N 350.443 3.534 0 1 FHAF CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)N2CCCCC2)cc1 61907239 UNPZBWFVRBMBJZ-QFIPXVFZSA-N 356.510 3.530 0 3 FHAF CO[C@@H]1C=C(C(=O)O)[C@]2(C)CC[C@H](C)[C@](C)(CCC3=CCOC3=O)[C@H]2C1 2356738125 YWJHZGOKKDDVHY-XKRNNULDSA-N 362.466 3.738 0 1 FHAF C[C@H](C(=O)O)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1CN(CCN)C2=O 2356803245 WWHFEXUPYPPAKQ-FPTDNZKUSA-N 372.509 3.647 0 1 FHAF O=C(NCc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12 71315784 AYERKGWULZQYMW-UHFFFAOYSA-N 370.412 3.707 0 1 FHAF CCCCCOc1ccc(S(=O)(=O)NC(=S)NCCCC)c(C)c1 33857572 MJIDIPOUJKOUAW-UHFFFAOYSA-N 372.556 3.517 0 1 FHAF Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc(C)cc3)C2=S)cc1 40913937 OULFQEVBDFZZSF-UHFFFAOYSA-N 352.459 3.577 0 1 FHAF CN(C)CCc1cccc2[nH]c(-c3nc(CCC4CCOCC4)no3)cc12 40565596 RQVMAASDQCCIER-UHFFFAOYSA-N 368.481 3.681 0 1 FHAF CCCCCC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 40935728 ZIORBIGDZZSVGN-VXGBXAGGSA-N 353.937 3.647 0 1 FHAF CS(=O)(=O)Nc1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1 224764031 BQAOFOARCFCPTK-UHFFFAOYSA-N 357.410 3.508 0 1 FHAF COC(=O)CCC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 299836587 NQIMRQHRRJQKRU-SECBINFHSA-N 361.619 3.780 0 1 FHAF CN(C)S(=O)(=O)c1cccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587087036 GUPYSOFIZFDKNI-UHFFFAOYSA-N 374.853 3.615 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(=O)O)CC2=O 587479318 HOTFXQYWIMFMJG-SFHVURJKSA-N 356.374 3.515 0 1 FHAF FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3CCOC3)nc2c1 586912488 UHLHMKMMHKVTDF-LURJTMIESA-N 351.122 3.728 0 1 FHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 587241415 BBERYPXULRVKGM-UHFFFAOYSA-N 364.405 3.545 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1C[C@@H]1C(=O)O)CC2=O 587491381 UUKGYHUAUNSPPP-PNLZDCPESA-N 366.413 3.926 0 1 FHAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)nc(O)nc4[nH]3)c21 587030868 LUPLNKXEYGOZNK-SECBINFHSA-N 367.434 3.723 0 1 FHAF CC(C)[C@@]1(Cn2cccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587757745 HPUAENRYHYBUBI-SJKOYZFVSA-N 366.278 3.870 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H](C(=O)O)CC2 587613344 YTKLKFCFVJQGIA-GQNMWPQZSA-N 368.385 3.758 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 587947529 XQRMFNFATSOBNM-CQSZACIVSA-N 370.474 3.638 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1sc(N(C)C)nc1OC)CC2=O 587493367 GMPFKMPACZCLHM-AWEZNQCLSA-N 362.451 3.582 0 1 FHAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587805272 FFDLYSQKHDUOLX-XYZCENFISA-N 366.230 3.926 0 1 FHAF C[C@]1(c2ccc(O)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340409 SNJVXFBPDFEOHP-TZIWHRDSSA-N 365.360 3.906 0 1 FHAF Cc1n[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590726 TYNOTZHTQOICSB-FXAWDEMLSA-N 350.374 3.609 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC)c(F)cc2[nH]1 586918397 XYSATYVWPXYYSN-ZUOKHONESA-N 354.381 3.927 0 1 FHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(C(=O)O)cccc3[nH]2)s1 587022936 FZZGGESPBNNHCA-UHFFFAOYSA-N 360.395 3.732 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nc(C)cc(C)n1)(C1CC1)O2 587407568 ATPJCUOKRJSFDL-FQEVSTJZSA-N 369.490 3.890 0 1 FHAF CCOc1ccc2nc(C)cc(OCC(=O)Nc3ccccc3OC)c2c1 1772592540 KVATZLYCZYUMNE-UHFFFAOYSA-N 366.417 3.968 0 1 FHAF CSc1sc(C(=O)Nc2ccn(C)n2)c2c1-c1sncc1CC2 1772589403 LTDHSYFBXJACGM-UHFFFAOYSA-N 362.505 3.678 0 1 FHAF CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(-c2ccco2)n1 12354263 JRPRIKWIPGONTN-UHFFFAOYSA-N 364.365 3.581 0 1 FHAF COc1cc2ccc(=O)oc2c(OC)c1OC/C=C(\C)CC/C=C(\C)CO 14776355 BDQHRGSXCJSGNQ-SADFVUDUSA-N 374.433 3.854 0 1 FHAF Cc1ccc(NC2=NC(=O)[C@@H](CC(=O)Nc3cccc(C)c3)S2)cc1 17084621 BZJMZKZGYBDSEC-MRXNPFEDSA-N 353.447 3.742 0 1 FHAF CO[C@@]1(C)C[C@@H]2N(C(=O)c3ccccc3)N=C(c3ccccc3)C[C@@]2(C)O1 17212993 NLFKESWQOLYPFY-KSEOMHKRSA-N 364.445 3.847 0 1 FHAF C=CC(=O)N[C@@H](CO)Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 1857568563 KRHOFPPOWVISLP-QGZVFWFLSA-N 350.245 3.866 0 1 FHAF COC(=O)CC=C[C@H](C)[C@H](OC)c1c(Br)ccc2c1OCO2 1857622729 WGONEYCOJVMLLL-BONVTDFDSA-N 371.227 3.621 0 1 FHAF CSC1=NC=C2C(=Nc3n[nH]c(C)c3N=C2c2ccc(Cl)cc2)N1 1857654239 YCHBUVVJQCOLGX-UHFFFAOYSA-N 356.842 3.742 0 1 FHAF COc1ccc2cc(C(=O)NC[C@H](c3ccccc3)n3ccnc3)oc2c1 53312587 RGTDKGMZVYPMQY-GOSISDBHSA-N 361.401 3.657 0 1 FHAF O=C(OCCCF)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@H]1N2 28373270 GBXCFQBRUJWAGV-JJXSEGSLSA-N 370.262 3.576 0 1 FHAF C[C@H]1CN2CCN(C(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075264 CJMYGZTZUKJGEF-XTQVGHSUSA-N 364.489 3.516 0 1 FHAF CNc1nccc(-c2ccc(C(=O)NCCCc3ccc(F)cc3)s2)n1 38215001 ATXIGCMNGRDMPV-UHFFFAOYSA-N 370.453 3.749 0 1 FHAF CN1C/C(=C\c2cccs2)C2=NC(=S)N[C@H](c3cccs3)[C@H]2C1 33493343 FMDRPUQOKDUQEP-NNBCDOKZSA-N 359.545 3.825 0 1 FHAF CC1(C)Nc2c(cc(-c3cncc4nccn34)c3c2CCC3)C(C)(C)C1=O 141448622 JUFCLSXJMQEBLB-UHFFFAOYSA-N 360.461 3.936 0 1 FHAF O=[S@@]1N=C(Nc2cc(Cl)cc(Cl)c2)C(NC2CCCCC2)=N1 253706431 RVNAIMGPZHLZBM-QFIPXVFZSA-N 359.282 3.717 0 1 FHAF O=C(NCc1ccsc1)N1CCC[C@@H]1c1nc(Cc2ccccc2)no1 299833687 ZFTMUFKXDDWJSM-MRXNPFEDSA-N 368.462 3.769 0 1 FHAF COc1cc(O)ccc1[C@@H]1COc2cc3c(c(O)c2C1=O)C=CC(C)(C)O3 653790370 DEAALMVARRZSEY-AWEZNQCLSA-N 368.385 3.650 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c4ccccc4c1=N)[C@@H](C2)C3=O 587434447 VLXFYZOTMPTPOZ-OYHNWAKOSA-N 360.413 3.627 0 1 FHAF COC(=O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 587077978 ZVKDWURGOMUKPC-MRXNPFEDSA-N 370.840 3.735 0 1 FHAF COC(=O)CCC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440933 BXSCFOXPMLAGSV-VGOFRKELSA-N 366.413 3.681 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(F)F)N1 587719576 LHSWIYXBTOESCC-JKYUHCHBSA-N 350.178 3.562 0 1 FHAF COc1ccccc1Nc1ccccc1-c1nc2c(O)nc(S)nc2[nH]1 587240852 PWGDMLPVSUTINQ-UHFFFAOYSA-N 365.418 3.766 0 1 FHAF COc1cc2c3c(c1)O[C@](CSC(C)=O)(c1ccccc1)[C@@H](C2)C3=O 587448439 JASZYDHCANYNRH-OXJNMPFZSA-N 354.427 3.618 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCN(C)C 587858522 IMKVBHJLZKGTHJ-UHFFFAOYSA-N 356.253 3.848 0 1 FHAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Cl)nccc4[nH]3)no2)n1 587117833 HEQUDMOGZHISBE-UHFFFAOYSA-N 368.706 3.530 0 1 FHAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2nc(Br)c[nH]c-2n1 587931266 RRVHXEPBCIUVDB-HWPZZCPQSA-N 359.227 3.521 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587434014 ZOBMQOUQTPCVRH-YHQOMNDMSA-N 373.449 3.649 0 1 FHAF COc1ccc(CNC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876377 OADORCMFGFEKPS-UHFFFAOYSA-N 355.394 3.726 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)no1)CC2=O 587460595 UQVUWWUXXQABPG-GFCCVEGCSA-N 352.184 3.802 0 1 FHAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(OCCN(C)C)cc3[nH]2)cs1 587022122 VQCNXBGPRLSBHQ-UHFFFAOYSA-N 367.478 3.930 0 1 FHAF COC(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 587081941 YZEDZCYDALRVCG-UHFFFAOYSA-N 357.797 3.604 0 1 FHAF Cc1cncc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c12 587203275 KIONZWLIJHKHGW-UHFFFAOYSA-N 351.410 3.783 0 1 FHAF CCc1ccc(-c2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cs2)cc1 587015885 WQYZFMUWVXVJTD-UHFFFAOYSA-N 356.842 3.723 0 1 FHAF CCCc1c(CC(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991314 JHTGFBNUOQHEMS-UHFFFAOYSA-N 361.397 3.820 0 1 FHAF Cc1c(O)ccc2c1[C@]1(C[C@H](C(C)C)c3ccccc31)N[C@H](C(=O)O)C2 963491424 NPXJFKZNNBABGO-TVTNDZMWSA-N 351.446 3.686 0 1 FHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc3ccccc3[nH]2)N1 962961502 SADBQGXKVXJKGA-WMLDXEAASA-N 362.763 3.788 0 1 FHAF CN(C)c1ccnc(-c2cccc(NC(=O)Nc3ccc(F)cc3)c2)n1 1772614483 DCPYDBMEXBSXLI-UHFFFAOYSA-N 351.385 3.993 0 1 FHAF O=C(CCSCCc1ccccn1)Nc1ccc(Br)cn1 13136300 RTGCTBBPIPYZGL-UHFFFAOYSA-N 366.284 3.544 0 3 FHAF O=c1oc(Nc2cccc(I)c2)nc2ccccc12 13779168 WYMRITRBODIZES-UHFFFAOYSA-N 364.142 3.536 0 1 FHAF CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccc(O)cc3)ccc2O1 13795376 DGHZKKHEMVTFON-UHFFFAOYSA-N 373.408 3.845 0 1 FHAF Cc1nc2cccc3c2nc1NC[C@@H](C)CC[C@H]1CNC(=O)c2cc-3[nH]c21 150084327 TUMIEGHWQWSXPG-AAEUAGOBSA-N 361.449 3.602 0 1 FHAF CCC(=O)N[C@H]1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21 204979321 VDEUDSRUMNAXJG-IBGZPJMESA-N 363.461 3.561 0 1 FHAF CC[C@@H](C)NC(=O)c1c(NC(=O)c2ccc(F)cc2)nc2ccc(C)cn12 1857616943 PLZHKLISIKFAPU-CYBMUJFWSA-N 368.412 3.562 0 1 FHAF COc1ccc(OC)c(-c2nc3c(N)ccnc3n2Cc2ccccc2)c1 1857749636 JXRYGHWYVNIBKK-UHFFFAOYSA-N 360.417 3.746 0 1 FHAF CCCOC[C@@H](O)CCC[C@@H](CCCc1ccc(C(=O)O)cc1)C(C)=O 27100712 SSUNVEZQHXROLL-QUCCMNQESA-N 364.482 3.871 0 1 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@@H](C2)[C@H]1[C@H](C)[C@@H](C)C(=O)C3 101799170 QKEMXTZZPULBCH-BROMXVHCSA-N 353.506 3.835 0 1 FHAF COc1ccc(OC[C@@H]2CN3C(=O)CC[C@]3(c3ccc(Cl)cc3)O2)cc1 27523107 BXOBYDZTZAVNTJ-AZUAARDMSA-N 373.836 3.602 0 1 FHAF CO/C(O)=C1\C(C)=NC(S)=N[C@@H]1c1cc(Br)ccc1OC 103888703 KLYOEPWMMMRWNM-RVROTUBLSA-N 371.256 3.675 0 1 FHAF Cc1cc(C2=C[C@@H](c3ccccc3)N(C(=O)c3ccncc3)N2)ccc1O 103200449 PUZHEAKRWJBFAG-FQEVSTJZSA-N 357.413 3.838 0 1 FHAF C[C@@H]1CCC[C@@H](C)N1CCC[C@@](C(N)=O)(c1ccccc1)c1ccccn1 29553809 CZVQBMXKFAJRAC-DNVFCKCGSA-N 365.521 3.896 0 1 FHAF C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)Cc2c(-c3ccccc3)ccnc2O1 61908001 BNKJYAUGVZOLAX-JOCHJYFZSA-N 374.396 3.810 0 3 FHAF CSc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C 36380223 KNCIHDGEEMFGMQ-UHFFFAOYSA-N 359.451 3.859 0 1 FHAF COc1ccc(-n2ccc3c(sc4nccc(N(C)C)c43)c2=O)cc1F 35284741 BTRIKFDDZHPFMX-UHFFFAOYSA-N 369.421 3.814 0 1 FHAF O=C(C(=O)N1CCC(Cc2ccccc2)CC1)c1c[nH]c2cc(O)ccc12 73221657 OLQKBYLFIDAZFH-UHFFFAOYSA-N 362.429 3.538 0 1 FHAF CC[C@@]12CCCN(CCc3c(n(C)c4ccccc34)[C@@H](C(=O)OC)C1)C2 14829290 AULRJVXQWYCCSG-PGRDOPGGSA-N 354.494 3.873 0 1 FHAF biogenic COCCNC(=O)c1ccc2cc(-c3cc(-c4ccccc4)[nH]n3)[nH]c2c1 49808008 ZJHBEPKAHOBAJB-UHFFFAOYSA-N 360.417 3.601 0 1 FHAF CCOCc1cn(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)nn1 1911573463 DEGJPNAZUFYXSY-UHFFFAOYSA-N 355.373 3.587 0 1 FHAF NC(=O)O[C@@H](CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 95573790 BAVFRUKRIHEOSL-IBGZPJMESA-N 373.884 3.689 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cc(F)ccc1C)CC2=O 587466358 KNXPCUFHWOROIT-HXUWFJFHSA-N 358.365 3.738 0 1 FHAF FC(F)(F)c1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 587041699 OUOXFBXOMYAOAA-UKRRQHHQSA-N 364.396 3.923 0 1 FHAF NC1CCN(Cc2c(-c3ccc(Cl)nc3)[nH]c3cccc(F)c23)CC1 587633770 LPXCXEJHFILKKZ-UHFFFAOYSA-N 358.848 3.946 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](NC(=O)OC(C)(C)C)C1)O2 587389481 KSDWZTHMQKLMDM-RNODOKPDSA-N 360.454 3.749 0 1 FHAF CCOC(=O)c1ccc2nc([C@@H](CC)Sc3nc(C)cc(O)n3)[nH]c2c1 586963698 QGOMBIMCXAOVMA-CQSZACIVSA-N 372.450 3.787 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn3nccc23)N1 587792448 HPJIXPPPXRJLQX-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF O=C(O)c1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F 587075643 GDJTWXNCFHHZNG-HNNXBMFYSA-N 359.744 3.671 0 1 FHAF CCOC(=O)c1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)nc1C 587394058 PYGKWGNWLCWLKA-OAQYLSRUSA-N 368.433 3.646 0 1 FHAF CCOC(=O)C(C)(C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799235 RIMQQBUTWZXWKA-BTDLBPIBSA-N 372.278 3.927 0 1 FHAF Cc1cc(C)n(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587763117 IDDUWOQDXLNBPX-BTDLBPIBSA-N 366.278 3.851 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCC(=O)O)CC2=O 587485330 VINXGNFECAVDNH-OAQYLSRUSA-N 370.401 3.689 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)nc1 587552925 TVDIPWCUQCBQQY-WMLDXEAASA-N 354.749 3.539 0 1 FHAF O=C1CCC2(CCC3(CC2)c2cccc(F)c2CCN3[C@@H]2CCSC2)N1 962713699 SROYVXIMLPYLOB-TVRCVXMWSA-N 374.525 3.607 0 1 FHAF CCOC(=O)[C@]1(c2ccc(F)cc2Cl)NCCc2ccc(F)c(C)c21 962089077 FYNPSSHYXDRIBN-LJQANCHMSA-N 365.807 3.879 0 1 FHAF c1cc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)ccn1 1772569822 KBLDZBNLYGNNJS-UHFFFAOYSA-N 363.384 3.907 0 1 FHAF CC(C)CCCCCCCCCCC[C@@H](O)[C@@H](N)CS(=O)(=O)O 5452947 XMTQSVIYISYLNK-DLBZAZTESA-N 351.553 3.510 0 1 FHAF in-vitro S=C(NCCCn1ccnc1)Nc1ccc(OCc2ccccc2)cc1 13679600 KDLMAYKKEIDNEO-UHFFFAOYSA-N 366.490 3.839 0 1 FHAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)[C@H]1N2C 13684311 JGAGHIIOCADQOV-PZJWPPBQSA-N 351.450 3.975 0 1 FHAF Cc1ccc(CN2CCCC[C@H](NC(=O)Nc3cccc(F)c3)C2=O)cc1 200053756 UHXSGRDFEQVOLY-IBGZPJMESA-N 369.440 3.837 0 3 FHAF O=C(Nc1ccccc1)N1CC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 3955812 LCXKIGLLRBBYJJ-UHFFFAOYSA-N 367.424 3.596 0 1 FHAF COc1ccccc1-c1nc2ccc(-c3nc4c(C)ncc(C)n4n3)cc2[nH]1 1857746685 CYZRRJJJSPMKOX-UHFFFAOYSA-N 370.416 3.960 0 1 FHAF Clc1ccccc1CCn1cnc(-c2cc(-c3cnn[nH]3)ccn2)c1 1857773418 SSFFXSKRQXVLOJ-UHFFFAOYSA-N 350.813 3.626 0 1 FHAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cnc(-c2ccccc2)s1 117719188 VNCZMBMKODMGRG-KRWDZBQOSA-N 365.458 3.723 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCO 4213746 MFPAYBFIHNGOKB-IRXDYDNUSA-N 370.852 3.602 0 1 FHAF CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102149787 CSWCIBOMUHUPBF-RLFYNMQTSA-N 351.874 3.912 0 1 FHAF COP(=O)(OC)[C@@H](OC(=O)COc1ccccc1)c1ccccc1 103214111 OVPRLDDYELAVAZ-QGZVFWFLSA-N 350.307 3.793 0 1 FHAF COC(=O)[C@@H]1[C@H](c2ccc(/C=C\Br)cc2)C[C@H]2CC[C@H]1N2C 100761208 QRRDJSMVPRYYBA-PVFHNOOTSA-N 364.283 3.792 0 1 FHAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2cccnc2)O[C@@H]1c1cccnc1 27741458 PWOHCYHMAOOXIW-ILBITTSSSA-N 354.406 3.691 0 1 FHAF CNC(=N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 28826389 VVCARAZTUNHWPO-UHFFFAOYSA-N 360.461 3.751 0 1 FHAF in-vitro CN(C(=O)Cc1cs/c(=N\c2ccc(F)cc2F)n1C)c1ccccc1 29124791 JMDRUOGYHKVMNO-QOCHGBHMSA-N 373.428 3.803 0 1 FHAF CC[C@]1(c2ccccc2)C(=O)c2cccn2-c2ccccc2S1(=O)=O 26637589 NARXBOXIOKLBQQ-FQEVSTJZSA-N 351.427 3.753 0 1 FHAF COc1cc2ccc(=O)oc2c(OC)c1OC/C=C(\C)CC/C=C(/C)CO 36463974 BDQHRGSXCJSGNQ-PAELYHLGSA-N 374.433 3.854 0 1 FHAF CC(C)(C)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 34893978 BWVXTDRTJMUKCK-UHFFFAOYSA-N 369.527 3.781 0 1 FHAF COc1ccc(CCc2cc(OC)c(OC)cc2CCN(C)C)cc1OC 14677102 KWBVLKOFFPNMTJ-UHFFFAOYSA-N 373.493 3.610 0 1 FHAF biogenic C=Cc1ccccc1S(=O)(=O)NCCOc1cccc2ccccc12 220479740 PIKXGVBAMWGKDZ-UHFFFAOYSA-N 353.443 3.840 0 1 FHAF Cc1ccccc1C(=O)N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199716113 PMEBGFRTHJDZGC-LJQANCHMSA-N 370.880 3.960 0 3 FHAF CN1C/C=C/COCc2cncc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 84733535 QYHOUFKSRXQWPG-NSCUHMNNSA-N 373.460 3.800 0 1 FHAF O=S(=O)(Cc1ccccc1)c1cc2c(OC3CCNCC3)cccc2o1 95555577 HBCHSBDFRHSXTG-UHFFFAOYSA-N 371.458 3.538 0 1 FHAF COc1cccc(-c2nc(N3CCC(C(=O)O)CC3)cc3cccnc23)c1 95555624 LBZYVKXXXHZJAJ-UHFFFAOYSA-N 363.417 3.606 0 1 FHAF O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 95573664 PKEODQBLMLQVCV-HWWQOWPSSA-N 357.841 3.752 0 1 FHAF COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1OC 587079103 GCIZHULHDVKYPB-ZDUSSCGKSA-N 370.840 3.957 0 1 FHAF COc1cc2c3c(c1)OC1(C[C@@H]4CC[C@H](C1)N4C1CCCC1)[C@@H](C2)C3=O 587436899 UXIUQFYXACBHQX-IAOZQIQUSA-N 353.462 3.751 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1N1C[C@H](C)O[C@H](C)C1)O2 587392778 DDCULYZBLNEEOD-LRAJWGHMSA-N 366.461 3.897 0 1 FHAF CC(C)(C)n1ncc2c(O)nc(-n3nc4cc3Oc3ccc(F)cc3-4)nc21 587876309 QNNAEFCRRRTHPB-UHFFFAOYSA-N 366.356 3.384 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)cc(C)cc3[nH]2)cc1 586940287 ZAWJRZQMFQXJGL-LBPRGKRZSA-N 361.442 3.754 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C)N(C3CC3)C2)N1 587762867 UXBUDURFBFDPJS-AGKHESDQSA-N 353.279 3.574 0 1 FHAF CCO/C=C(/C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523636 LNMGQFCXCYEQFN-WYPWOVKWSA-N 358.434 3.773 0 1 FHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 587787441 VSGQQRARAWJJNS-NEPJUHHUSA-N 372.222 3.664 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)C[C@H]1n1cncn1)CC2=O 587478790 SZZIIRDQUDBVRG-CFSSXQINSA-N 355.438 3.702 0 1 FHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587071209 XJVMBOGDOHOSFU-SNVBAGLBSA-N 354.763 3.915 0 1 FHAF COc1ccc(/C=C\Cc2nc3ccc(Br)nc3[nH]2)c(OC)c1 587930758 VACYIZRDARWLQL-ARJAWSKDSA-N 374.238 3.994 0 1 FHAF C[C@]1(C[C@@H]2CCCCN2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596243 PWXONZJPSOEAAG-FIKMYACPSA-N 353.418 3.645 0 1 FHAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nc1OC 587518531 KLFZCWFHDISTKZ-OAQYLSRUSA-N 353.418 3.858 0 1 FHAF COC(C[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC 587789449 CSPSSLSSYKMTIA-GTNSWQLSSA-N 374.294 3.983 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@H](c2csc(C3CC3)n2)N1)C(F)(F)F 962727748 AOOLZQDWSQFXMK-GXTWGEPZSA-N 352.381 3.756 0 1 FHAF CC(=O)N1CCc2sc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cc2C1 963118617 ZTESBDCEOWEJNV-UWJYYQICSA-N 370.493 3.902 0 1 FHAF Oc1cc(Cl)ncc1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21 961318027 FEEFNDJGIWSFBF-OAHLLOKOSA-N 365.658 3.971 0 1 FHAF O=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(O)c(Cl)c1 13558789 DTDQNWRRSFUVGE-UHFFFAOYSA-N 355.703 3.605 0 1 FHAF CN(C)C(=S)Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(C)[C@@H](C2)C1 169320341 YHGXIOWMEBPHND-AVRDEDQJSA-N 366.530 3.848 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(OC)cc1 169723987 LYJQQIVPQUNOOS-AEFFLSMTSA-N 373.449 3.658 0 1 FHAF Cc1ccc(C(=O)N[C@@H](CC2CC2)c2nccs2)nc1OCC1CC1 207729588 BSECRFPXHQUWKY-INIZCTEOSA-N 357.479 3.907 0 1 FHAF NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCNCC2CCCCC2)c1 1857573213 RWFLDXRPMXAIED-KOUNCHBCSA-N 369.553 3.666 0 1 FHAF CC12CCCc3cc(NC(=O)c4ccc(C(=O)O)nc4)cc(c31)CCC2 59027578 BCLVLWCSJJEVKO-UHFFFAOYSA-N 350.418 3.962 0 1 FHAF Cc1ccc(NS(=O)(=O)c2c(C)[nH]c3ccccc3c2=O)c(Cl)c1 20178123 BDTVWXBEXCXEKR-UHFFFAOYSA-N 362.838 3.599 0 1 FHAF c1ccc(OCc2nnc3sc(Cc4cc5ccccc5[nH]4)nn23)cc1 103216218 SNEAWSMGBBGLDJ-UHFFFAOYSA-N 361.430 3.837 0 1 FHAF COC(=O)[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]21C 26389304 AIFCUVNKIXTICB-XLEGIKGESA-N 359.510 3.709 0 1 FHAF N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc([C@@H]3CCOC3)c2c1 26835717 CDJBWPMAVJSWPS-MRXNPFEDSA-N 359.429 3.880 0 1 FHAF COc1ccc(N)c(NC(=O)CCCCCNC(=O)c2ccc(C)cc2)c1 117589705 MWNRCVQDELNBDV-UHFFFAOYSA-N 369.465 3.515 0 1 FHAF O=C(c1cccc(F)c1)N1CCc2nc(COc3cccc(F)c3)oc2C1 113227246 BODXKWPKEKMDKV-UHFFFAOYSA-N 370.355 3.730 0 1 FHAF CCOc1cccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)c1 117581950 ITPDRUGLYVVKRI-UHFFFAOYSA-N 369.465 3.596 0 1 FHAF Cc1nc2cc([C@]3(O)c4ccccc4C(=O)N3Cc3ccccc3)ccc2[nH]1 116252803 VMVSXMARTHVYRB-QHCPKHFHSA-N 369.424 3.721 0 1 FHAF C[C@@H]1[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C2)CN1C 2356691356 GYABRMDCDGXMRC-BJULNXMFSA-N 372.597 3.780 0 1 FHAF CCCCCC(=O)NCCCN1CCC[C@H]1CC(=O)c1c(C)cccc1O 5820108 LZFMYZNYVOKFEE-SFHVURJKSA-N 374.525 3.824 0 1 FHAF biogenic,in-vivo CCCc1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)OCC 38544039 CQGFDYLOZSKCBQ-UHFFFAOYSA-N 369.446 3.690 0 1 FHAF COc1c(O)c2c(c3ccoc13)O[C@H](c1ccc3c(c1)OCO3)CC2=O 14594228 NDRSNJAZIATHAK-ZDUSSCGKSA-N 354.314 3.582 0 1 FHAF biogenic Cc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2F)oc1C 82175799 GHYRPSLEBZCLBF-UHFFFAOYSA-N 368.412 3.516 0 1 FHAF CCCCCNc1ncnc2c1nc(C1CC1)n2CCN1CCCCC1 82196594 MQBPVHQWPSQWMO-UHFFFAOYSA-N 356.518 3.792 0 1 FHAF O=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1cccc2ccccc12 95586011 SMCUBJAUNHQKQL-JXMROGBWSA-N 368.436 3.925 0 1 FHAF CN(C)CCN[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 263591528 JXPRESUBWIPPEI-WBIUVFFSSA-N 360.586 3.830 0 3 FHAF Clc1ncc(-c2nc3cccc(I)c3[nH]2)s1 587023981 YEMAHUWMKKAPKY-UHFFFAOYSA-N 361.595 3.944 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(NC(=O)C(F)(F)F)c1)O2 587382036 MSFYOEZPBQAPLZ-HNNXBMFYSA-N 364.323 3.785 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1cncc(F)c1 587567831 FKAWHGVVTLSMFG-HKUYNNGSSA-N 365.360 3.889 0 1 FHAF CC[C@]1(Cc2nc3c(S)nc(S)nc3[nH]2)CC(=O)c2ccccc2C1 587959457 FARPHEJMPXQSEH-GOSISDBHSA-N 370.503 3.698 0 1 FHAF CCCn1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576472 JDQNDGNWTIFVBD-XLIONFOSSA-N 350.374 3.702 0 1 FHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587599828 HWDNXCYTGQSRLI-WIYYLYMNSA-N 364.353 3.809 0 1 FHAF Cc1csc([C@](O)(Cc2nc3cc(F)c(F)cc3[nH]2)C(F)(F)F)n1 587094360 QIOMIPHVJJPVMQ-CYBMUJFWSA-N 363.311 3.599 0 1 FHAF O=C(Nc1ccccc1Cl)c1nc2cnc(Br)cc2[nH]1 587060118 AFXKTVAKDJFIJX-UHFFFAOYSA-N 351.591 3.626 0 1 FHAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(F)(F)F)cc2[nH]1 586960313 AXCXKJBMKZDZDE-ZCFIWIBFSA-N 355.345 3.513 0 1 FHAF CC(=O)N1C[C@H]2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3cccc1c32 587399681 MZFQTDGFTRHSAA-PEBXRYMYSA-N 362.429 3.682 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 587945971 HVNKBGCRYKBDOI-MRXNPFEDSA-N 364.445 3.950 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC[C@@H]3CCCO3)cc1)O2 587407176 ANLKOGHMYNPIPK-JXFKEZNVSA-N 353.418 3.842 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@@H]1Cn1cncn1)CC2=O 587474216 CXYOAYMIOJCQTJ-QVKFZJNVSA-N 369.465 3.921 0 1 FHAF Nc1c(-c2nc3cc(Br)ncc3[nH]2)cnc2c(F)cccc12 587176520 OOYCRESAOSUYJO-UHFFFAOYSA-N 358.174 3.657 0 1 FHAF COC(=O)c1cccc2nc(-c3sc(Br)nc3C)[nH]c12 587011606 PXBBCLSKVBQKGJ-UHFFFAOYSA-N 352.213 3.544 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(CC)cc21 587483686 LKQMUSXGNIFRJZ-OAQYLSRUSA-N 351.402 3.720 0 1 FHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587068762 DBMKRBLEFNHKGW-JTQLQIEISA-N 365.767 3.823 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c[nH]nc12 587598342 XMKWUNUFAXKKJC-UWJYYQICSA-N 358.353 3.971 0 1 FHAF NC(=O)Nc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587243767 QDKSEXKNMUQFJP-UHFFFAOYSA-N 367.153 3.761 0 1 FHAF CCOC(=O)Cc1ccccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399544 KQRXMISDSCREFC-OAQYLSRUSA-N 353.418 3.563 0 1 FHAF CC[C@@H](C)[C@@]1(C(=O)O)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955786 LYGSVBBBUDMDRY-KZULUSFZSA-N 371.399 3.683 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CC[C@H]3[C@H](C(=O)NCC(C)C)[C@H]32)N1 962951607 UERDTYIVGJJPTQ-UPAKRKKJSA-N 365.521 3.716 0 1 FHAF Cc1cc([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)o1 962966343 LYPGXEFSJFJTTG-SUMWQHHRSA-N 355.768 3.690 0 1 FHAF CCOC(=O)CCNCCCCOc1ccc(Cc2ccccc2)cc1 13475289 JZDRWCGZKHXRHS-UHFFFAOYSA-N 355.478 3.979 0 1 FHAF COc1cc(/C=C/C(=O)NCCCc2ccc(C)c(C)c2)cc(OC)c1O 13648941 WCYNCNLUZAKOCN-MDZDMXLPSA-N 369.461 3.788 0 1 FHAF O=C(NCCn1cc(Cc2csc3ccccc23)nn1)c1ccccc1 169328209 AKDZBOHYSHWVEF-UHFFFAOYSA-N 362.458 3.514 0 1 FHAF C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O 1857552038 RSVBTLSIVBWMNF-LJQANCHMSA-N 364.489 3.516 0 1 FHAF NC(=S)c1cccc(-c2cn(CC(CF)CF)c3cc(CO)ccc23)c1 1857581168 UUIKGYOUGIHYCR-UHFFFAOYSA-N 374.456 3.990 0 1 FHAF CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 2458097 LKJTYRKPZBRMJH-GJZGRUSLSA-N 367.474 3.715 0 1 FHAF CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccncc1 3907180 BAUSXIVYHZMBPU-LJQANCHMSA-N 361.449 3.589 0 1 FHAF O=C(CSc1nc2ccccc2[nH]1)Nc1cc(C(=O)O)ccc1Cl 103181455 QIMKQUQMOYMFRC-UHFFFAOYSA-N 361.810 3.645 0 1 FHAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2c(c1)OCO2 116232136 YRKANMKKKIUCMP-UHFFFAOYSA-N 365.389 3.568 0 1 FHAF CC(=CCCc1ccoc1)C[C@H](O)C[C@H](C)CCCC1=C[C@H](O)OC1=O 2356737600 HKZBWXTURDYJCE-LSTHTHJFSA-N 362.466 3.908 0 1 FHAF CC(C)(O)CCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 36093326 QYMTVPXBGBTGOC-UHFFFAOYSA-N 362.411 3.560 0 1 FHAF CCCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 8472604 IUPORXFZZVYHHA-CTNGQTDRSA-N 373.456 3.554 0 1 FHAF biogenic COc1cc2c3c([nH]c2c(OC)c1OC)CCN(Cc1ccccc1)C3 31854002 MABCBQQMUKHOCM-UHFFFAOYSA-N 352.434 3.752 0 1 FHAF CCCCCC(=O)O[C@H]1C[C@H]2C[C@H](OC(=O)CCCCC)[C@@H](C1)N2C 40547991 AZSYRDPIBWFYBO-FJIDUMEYSA-N 353.503 3.837 0 1 FHAF C[C@@H]1CCCC[C@]12CC(=O)N(Nc1ccc(Br)cc1)C2=O 40848237 PTOOQKSRXYJIGU-BZNIZROVSA-N 351.244 3.731 0 1 FHAF Cc1csc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)c1 95585495 KCXAUHYSBZRIDP-UHFFFAOYSA-N 350.403 3.610 0 1 FHAF O=C1NC[C@@H](c2cccc(N3CCCCC3)c2)N1c1ccn2ccnc2c1 145036042 NGIOPDXVBDVWDU-IBGZPJMESA-N 361.449 3.596 0 1 FHAF CN(C)CCCCCCCCCCCC(=O)NC[C@H](O)c1ccncc1 95591142 SSHJHBGJEXGPEB-FQEVSTJZSA-N 363.546 3.694 0 1 FHAF COc1cc2oc(-c3ccc(OC)c(OC)c3OC)cc(=O)c2cc1OC 238749950 HDBYLRLXZAWUBT-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF O=C([C@H](Cc1ccccc1)c1ccccc1)N1CCN(c2ccncc2)CC1 95556017 IUSILDXGJIMQTD-HSZRJFAPSA-N 371.484 3.757 0 1 FHAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1 261155920 PYUCVLVRHYGSER-PXNSSMCTSA-N 356.514 3.767 0 1 FHAF N=c1n(CC(=O)Nc2ccccc2)c2ccccc2n1Cc1ccccc1 377809056 VMMNQSXSQVAEIZ-UHFFFAOYSA-N 356.429 3.609 0 1 FHAF COC(=O)Nc1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)cn1 587245051 MUMYIHHSUIJMCG-UHFFFAOYSA-N 361.199 3.874 0 1 FHAF FC(F)c1c(-c2nc3cccc(C(F)(F)F)c3[nH]2)cnc2ncnn12 587129479 ZUGRQEAYXOZNRN-UHFFFAOYSA-N 354.242 3.624 0 1 FHAF CC[C@]1(C)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(N)ccc2O1 587392021 VXNQUOHHXQMZPW-RTWAWAEBSA-N 352.434 3.971 0 1 FHAF Cc1ccc([C@@]2(CO)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587829781 YAWLNNKMMFQTBF-KPZWWZAWSA-N 364.258 3.667 0 1 FHAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)c1=S 587610838 DZXJPYBKLDSFFD-MAUKXSAKSA-N 368.414 3.502 0 1 FHAF C[C@]1(c2sccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615576 YPNIQOFEYJPJGZ-BEFAXECRSA-N 353.399 3.913 0 1 FHAF CCOC(=O)[C@@H]1CCc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587401815 YXAPLCYDNXHZGE-JTSKRJEESA-N 365.429 3.563 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)nc2)N1 587703772 HJJPYJZFEDPZEC-WPPNPWJKSA-N 356.626 3.655 0 1 FHAF Cc1c(Br)cnc2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc12 587164347 SXVRPQKXYYGTRI-CQSZACIVSA-N 363.234 3.819 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC(=O)OC)c1)CC2=O 587482280 NLQPDWMNFSNMRH-LJQANCHMSA-N 370.401 3.603 0 1 FHAF C[C@@H]1Cc2nc3ccc(O)c4c3c(c2C[C@@H]1C(=O)O)-c1ccccc1C4=O 586989557 BFZBNVHWZREJAS-MFKMUULPSA-N 359.381 3.587 0 1 FHAF CC[C@@]1(c2cn[nH]c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350169 WUVLFIOUXHJQNG-ICSRJNTNSA-N 352.365 3.919 0 1 FHAF Oc1ccc(C2(c3nc4cc(C(F)(F)F)ncc4[nH]3)CCOCC2)cc1 586912559 HEVOOKBQUHHNRB-UHFFFAOYSA-N 363.339 3.779 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(F)(F)F)nc1)[C@@H](C2)C3=O 587418123 AVNCRLQJMIHEOK-YVEFUNNKSA-N 365.307 3.520 0 1 FHAF COc1ccc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1OC 587397609 AAPGHECNLCEQKA-NRFANRHFSA-N 355.434 3.869 0 1 FHAF FC(F)(F)CCc1ocnc1-c1nc2cc(Br)ncc2[nH]1 587091328 DRMSQALFRWXGLK-UHFFFAOYSA-N 361.121 3.870 0 1 FHAF CC(=O)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813140 BGFFJVZTPVPFHC-VOJFVSQTSA-N 362.242 3.955 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(C)cc(OC)c(OC)c1OC)[C@@H](C2)C3=O 587443281 NIDBKRZYCDHGIH-ORAYPTAESA-N 370.401 3.518 0 1 FHAF Cc1ccnc2c1CCN[C@]2(CC(=O)C(F)F)c1ccc(Cl)cc1 963073508 QKXSSXIDLMTTDI-GOSISDBHSA-N 350.796 3.657 0 1 FHAF CCC(=O)N[C@@H]1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21 204979304 VDEUDSRUMNAXJG-LJQANCHMSA-N 363.461 3.561 0 1 FHAF Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCCC3=CCCCC3)cc12 3045438 VHYQGOIDOVHQGX-UHFFFAOYSA-N 363.435 3.608 0 3 FHAF COc1cccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)c1 1772608370 MTOYSMRCARGHKF-UHFFFAOYSA-N 367.434 3.592 0 1 FHAF CCCc1ncc(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13745617 XAANVAVVCXGDGH-UHFFFAOYSA-N 364.401 3.947 0 1 FHAF OCc1cccc([C@@H](O)CNCc2ccccc2OCc2ccccc2)c1 14966808 QPXGLRJFCBZQNF-QFIPXVFZSA-N 363.457 3.581 0 1 FHAF O=C(OCCc1ccccc1)N(c1ccccc1)[C@@H]1CN2CCC1CC2 1857611145 GUYHTHYSWVZNOT-OAQYLSRUSA-N 350.462 3.967 0 1 FHAF c1ccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)cc1 601779 OUUMPVSFLSOGJZ-UHFFFAOYSA-N 365.525 3.660 0 1 FHAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@@H]1CCC[C@@H](C2)N1 100632799 LPKJVTVKWPHUTQ-KSSFIOAISA-N 366.486 3.750 0 1 FHAF CCN(CC)CCNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 103273824 BGQBWCHOHFKDCU-UHFFFAOYSA-N 366.914 3.627 0 1 FHAF CC=CC=C[C@@H]1C[C@@H]2OC(C)(C)[C@@H]3CCC(C)=C[C@@H]3[C@@H]2[C@@H](O)[C@@H]1C(=O)O 2356333216 ORVJFPWLYFLWRB-PHUPPTAPSA-N 360.494 3.966 0 1 FHAF CCN1CC(C)(C)OC(=O)[C@@H]1C(C)(C)C(=O)Nc1ccc(C(C)C)cc1 117775403 VMPZMNJYGDQVCW-QGZVFWFLSA-N 360.498 3.801 0 1 FHAF COc1cc2c(c3c1C[C@@H](O)[C@@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2 15121064 LSOMOCKNPBFMAK-VQIMIIECSA-N 354.402 3.622 0 1 FHAF biogenic O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H]1COc2ncsc21 220861003 FWXYBQGCCJQOSN-INIZCTEOSA-N 352.415 3.728 0 1 FHAF CCN1CCc2c(c(C)nn2C(=O)Nc2cccc(C(F)(F)F)c2)C1 96917461 WQWSSHSMAMPKCB-UHFFFAOYSA-N 352.360 3.669 0 1 FHAF COc1ccc(-c2cc3cc(/C=C/C(=O)O)cc(O)c3o2)cc1N(C)C 96934924 FKDHFVBIOUVOJL-QPJJXVBHSA-N 353.374 3.978 0 1 FHAF COc1ccc(C(=O)c2cncc3cc(OC)c(OC)cc23)cc1OC 34212767 NRDWUOGHFQPELV-UHFFFAOYSA-N 353.374 3.500 0 1 FHAF biogenic COc1ccc(-c2cnc3c(NC(=O)C(C)C)snc3c2)cc1OC 653774620 WVLXEIFGRVQWLL-UHFFFAOYSA-N 357.435 3.970 0 1 FHAF CCOC(=O)c1cc(C)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1C 587945143 JWFQZWBCQLJHSL-UHFFFAOYSA-N 353.397 3.791 0 1 FHAF COc1cc(OC)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 587006536 FVOOSINPRSGHOO-UHFFFAOYSA-N 373.210 3.657 0 1 FHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587599517 GJBRATGMORZBSJ-RXVVDRJESA-N 364.353 3.809 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncc(F)c2)N1 587735465 UOWABXUQVSLDQA-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF Brc1cnc2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587037829 YVRAMYCRCDDAKW-LLVKDONJSA-N 350.241 3.638 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)OC(C)(C)C)CC1)O2 587396702 VRSWDZJEEZLKGD-HXUWFJFHSA-N 360.454 3.702 0 1 FHAF CCOC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175435 SJMZNXNCBKXQLU-HNNXBMFYSA-N 366.396 3.603 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2n[nH]cc2c1 587872651 PQUNZHAWXZQWFN-UHFFFAOYSA-N 350.353 3.653 0 1 FHAF C=C1NC(=O)NC=C1c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096250 IHFITPROZRXFPA-UHFFFAOYSA-N 353.381 3.922 0 1 FHAF CC[C@]1(c2cc(C(=O)O)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423454 JUNOYWWKUSCNQT-JLTOFOAXSA-N 356.349 3.585 0 1 FHAF COC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524574 SDSZDGPDUVOCHS-FQEVSTJZSA-N 366.413 3.824 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)OCCN3C)CC2=O 587475123 MFVKJLMFZMETKK-LJQANCHMSA-N 353.418 3.880 0 1 FHAF O=C(CSC(=S)N1CCCC1)n1nc2cc1Oc1ccc(F)cc1-2 587876178 PJFTYYYDVBPTOM-UHFFFAOYSA-N 363.439 3.549 0 1 FHAF COC(=O)c1cc2[nH]c(C3(c4ccc(C)c(OC)c4)CC3)nc2cc1OC 587925682 CDGCMHQGKRKOEH-UHFFFAOYSA-N 366.417 3.755 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(CC(=O)O)cs1)CC2=O 587493904 ITRDCVINLKCFDK-IBGZPJMESA-N 360.431 3.914 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 962944862 FYDNYIRYIKQXSV-YEJXKQKISA-N 365.864 3.966 0 1 FHAF CC1=C([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)[C@H](C)N2NN=NC2=N1 962671678 UJJJLRQRODEVRS-OYHNWAKOSA-N 372.476 3.934 0 1 FHAF Cc1nccn1-c1cccc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1 204778493 MOZUWJVTBZTPTJ-UHFFFAOYSA-N 373.445 3.825 0 1 FHAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@H](C)c1ccc(F)cc1 770860 LFLSQCLMJFJSLS-SPLOXXLWSA-N 370.424 3.842 0 1 FHAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 4043186 VPFOJNUOWNTJNQ-PKOBYXMFSA-N 371.506 3.822 0 1 FHAF Cc1csc(NC(=O)N2CCC(N3CCCc4ccccc43)CC2)n1 103241457 YSVPSHBMLVQCFY-UHFFFAOYSA-N 356.495 3.901 0 1 FHAF NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(Cl)cc3)co2)c1F 103234514 RDGAOJPLKLAOJS-UHFFFAOYSA-N 364.735 3.951 0 1 FHAF CC[C@@H](C)c1nn(C)c(C(=O)Nc2nnc(C(F)(F)F)s2)c1Cl 103179332 ICAOBQPPGJOGPR-RXMQYKEDSA-N 367.784 3.710 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21 100654071 FHWOSRUUSHMKKA-OUWVOHMFSA-N 356.466 3.595 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4[C@H]5CCO[C@H]5CC[C@@]4(C)[C@H]2CC[C@@H]1C3 29212050 RHAGZIUYLFSMDE-POFXHGHASA-N 362.510 3.702 0 1 FHAF Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCC[C@H]4CCCC[C@H]43)nc21 116370081 OHQZQEGFDROPEO-HZPDHXFCSA-N 356.514 3.940 0 1 FHAF Nc1n[nH]c2nccc(-c3ccc(NC(=O)NC4CCCCC4)cc3)c12 29129388 MPCZDXSGEXSXCA-UHFFFAOYSA-N 350.426 3.661 0 1 FHAF COc1cc2c(c3c1C[C@@H](O)[C@@H](c1ccc(O)cc1)O3)CCC(C)(C)O2 14723958 SCBLRKVGVKFQKS-VQIMIIECSA-N 356.418 3.542 0 1 FHAF biogenic O[C@@H](CNCc1ccc(F)cc1)Cn1c2c(c3ccccc31)CCCC2 73169375 PTXHTLKEKOARDC-SFHVURJKSA-N 352.453 3.810 0 1 FHAF O=C(O)CC[C@H](O)c1ccc(OCc2ccc(Br)cc2)cc1 40845529 XUHLWCLYAYRPQH-INIZCTEOSA-N 365.223 3.926 0 1 FHAF N#CN1CC(OCc2ccc(Oc3ccccc3)cc2Br)C1 1911572571 NTBTVUWQZWFWHI-UHFFFAOYSA-N 359.223 3.923 0 1 FHAF COc1ccc([C@@](C)(O)c2nc(-c3cccnc3)nc3ccccc23)cc1 1911574491 XOTRVGYKKAEDCT-JOCHJYFZSA-N 357.413 3.956 0 1 FHAF CCCCCC(=O)N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199358392 HGYDWZOQLIOZFK-KRWDZBQOSA-N 350.890 3.918 0 3 FHAF CC(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224819304 IQRNUOCUWQXBOW-UHFFFAOYSA-N 371.437 3.714 0 1 FHAF C/C=C(/CN(C)C)[C@H]1CC(=O)c2[nH]c3ccccc3c2C=C[C@@H]1C(=O)OC 238768663 GAEVJZYUDKVBCT-SQNBFEKPSA-N 366.461 3.681 0 1 FHAF CCN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 299869963 FINYZPNAEUFDRR-ZSXCXTCJSA-N 369.505 3.912 0 1 FHAF in-vivo Cc1[nH]nc2c1-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586989253 CYTOACVBJOIIES-UHFFFAOYSA-N 353.381 3.949 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(OC)c(OC)c1 587871087 ZFLZZDHZTPYASU-UHFFFAOYSA-N 370.380 3.794 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1cnccn1)O2 587378266 NFUWCHDIHLATGV-FQEVSTJZSA-N 365.820 3.930 0 1 FHAF CCO[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H]1Oc1ccccc1 587403385 LQABIALSNDGDHP-GIVPXCGWSA-N 353.418 3.538 0 1 FHAF CC(C)n1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587762707 ZPVREAIDURVJDE-QLJPJBMISA-N 352.251 3.989 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccn(CC(F)F)n1 587558869 XUHKPEUXTJYVDG-LPHOPBHVSA-N 372.327 3.557 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccccn3c1Br)O2 587370627 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QBMPIMPWLVKNAJ-UHFFFAOYSA-N 358.199 3.581 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(Cl)c(OC)cc41)[C@@H](C2)C3=O 587423507 UQKJYQCQKTZOCS-VBKZILBWSA-N 356.805 3.946 0 1 FHAF Cc1ncn(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587578836 RXKFQJUWRKYGGV-WIYYLYMNSA-N 364.401 3.626 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(-c2cccnc2)n1 587872478 YIPVYCIPKOGICN-UHFFFAOYSA-N 361.380 3.929 0 1 FHAF COc1ccc2c(c1OC)[C@](C)(c1cnc3ccoc3c1)N(C)[C@@H](C)C2 962639477 WGADPISQOCRGLR-ZSEKCTLFSA-N 352.434 3.985 0 1 FHAF C[C@@]1(c2ccc(O)c(C(F)(F)F)c2)NCCc2c(C(=O)O)cccc21 963120915 HYCFAZLJSLIXBO-KRWDZBQOSA-N 351.324 3.518 0 1 FHAF Cc1cc(C)n(C[C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)n1 962648864 XDBYLPQPZOUWCF-ISKFKSNPSA-N 372.516 3.988 0 1 FHAF Cc1cc2c(cc1OC(=O)Nc1ccccc1)[C@]1(C)CCN(C)[C@@H]1N2C 13470200 XXRVJIACNHMGJG-CTNGQTDRSA-N 351.450 3.975 0 1 FHAF O=C(N[C@@H]1C[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 169350902 KDAXGLRCXRHAJI-JKSUJKDBSA-N 353.224 3.793 0 1 FHAF COc1c(C)c2c(c(O)c1/C=C/[C@H](C)CP(=O)(OC)OC)C(=O)OC2 169719417 VOZOEJPDADICFW-FGEFZZPRSA-N 370.338 3.515 0 1 FHAF COc1ccc2cc(C(=O)Nc3ccc(O)c(C(=O)O)c3)ccc2c1OC 1642266 VEJNLXWVSVKGOU-UHFFFAOYSA-N 367.357 3.513 0 1 FHAF CCC1=CC[C@]2(CO1)[C@H]1CCC3=C4[C@H](CC3)[C@@H](C(=O)OC)C[C@]42CN(C)C1 2356454518 ONAGOPFNNJDPCW-QHFYENJSSA-N 371.521 3.928 0 1 FHAF COc1ccc2nc3oc(C(=O)NCc4ccccc4OC)cc3cc2c1 6744779 GCACJHIXKAZYET-UHFFFAOYSA-N 362.385 3.928 0 1 FHAF O=C(c1cnn(-c2ccc(F)c(F)c2)c1)c1cc(F)cc(Cl)c1O 58592263 MOKKJUUTNVHFCA-UHFFFAOYSA-N 352.699 3.880 0 1 FHAF Nc1ccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)nc1 28863434 CYWKDOPVYWTNHO-UHFFFAOYSA-N 361.401 3.600 0 1 FHAF CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)ccc1O 103543389 LRZSVVMNWPUIGD-GOSISDBHSA-N 357.406 3.772 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(SC)cc2)C[C@@H]2CC[C@@H]1N2CCCF 101281301 GBDCEJWZYYZILX-RANZSIQMSA-N 351.487 3.878 0 1 FHAF COc1cc(C=CCO)cc(OC)c1OCC=C(C)CC=CC(C)(C)O 2356597903 YJTIOQZTJIAHSO-UHFFFAOYSA-N 362.466 3.752 0 1 FHAF COc1c([C@H](O)CC(C)C)ccc2c1C(=O)Oc1cc(C)cc(CO)c1O2 2356789483 DIZUXJSZKZHMGX-OAHLLOKOSA-N 372.417 3.900 0 1 FHAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1C 62224590 ZEFNHODHWXUVFU-GOSISDBHSA-N 357.450 3.745 0 1 FHAF COc1ccc(C#N)cc1-c1c[nH]c2ncnc(N3C[C@@H](C)C[C@@H](C)C3)c12 210720543 CHDYFKIOVVSYLO-OKILXGFUSA-N 361.449 3.987 0 1 FHAF COc1cc2c(cc1O)[C@H]1[C@@H](C)c3ccc(OC)c(OC)c3CN1CC2 14930652 UABBYTGYXLXVNA-FKIZINRSSA-N 355.434 3.635 0 1 FHAF biogenic CCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 45484168 PQGFBAUEMVAKPI-UHFFFAOYSA-N 369.469 3.580 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(C(F)(F)F)cn3)C2)cc1 149960998 ALFONNYCZSAIGT-LBPRGKRZSA-N 363.383 3.901 0 1 FHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc3ccccc3o2)n1 142112612 YGCUYQQAFXDMSW-TZMCWYRMSA-N 367.409 3.772 0 1 FHAF C[C@@H]1C=C(C(=O)N2CCCCCCC2)O[C@H](OCc2ccc(CO)cc2)C1 95785234 QNFVUVFWHBZYRN-UTKZUKDTSA-N 373.493 3.755 0 1 FHAF Cc1cc(C)n2nc(SCc3cc(=O)c4cc(Cl)ccc4o3)nc2n1 96911294 WWMXXJAJDLCWFD-UHFFFAOYSA-N 372.837 3.793 0 1 FHAF COc1ccc2[nH]c([C@@H]3CCN(C(=O)Nc4ccc(F)cc4)C3)nc2c1 51048168 BRXWBEKVRGTVNP-GFCCVEGCSA-N 354.385 3.732 0 1 FHAF biogenic COc1ccc(-c2nc3ncc(Cl)c(NC[C@H]4CCCNC4)c3[nH]2)cc1 653803287 LQESLWZNQGGWHK-LBPRGKRZSA-N 371.872 3.698 0 1 FHAF OC1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CCC(C(F)(F)F)CC1 587124711 CEATVTNQPLNJLP-UHFFFAOYSA-N 368.334 3.828 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)([C@@H](C)O)N1 587852079 JYQGWHPELNSSGC-YNHOBRIKSA-N 370.287 3.808 0 1 FHAF Cc1c(-c2nc3ccc(Cl)nc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073452 JDKUDBBQTQKAMP-UHFFFAOYSA-N 359.220 3.880 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(C)(C)C)(C(=O)O)N1 587825835 FQJPKHAYHGMOTK-XXFAHNHDSA-N 358.251 3.839 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)O[C@@H](C)c1ccccc1)O2 587402221 VZLVFOBCVTXXOG-QKKBWIMNSA-N 353.418 3.996 0 1 FHAF CCOC(=O)[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800241 WGXLRZSYWRJJAR-HWPZZCPQSA-N 358.251 3.537 0 1 FHAF COc1ccc2cc([C@@H](C)c3nc4ccc(-n5cnnn5)cc4[nH]3)ccc2c1 587934732 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N[C@@H](Cc1nc2ccc(Cl)nc2[nH]1)c1ccc(Br)cc1F 587142918 QVAOQGOFRCDHDF-JTQLQIEISA-N 369.625 3.755 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCCC[C@H]2O 587613294 XZIZWQWDOMPCOI-LQWHRVPQSA-N 354.402 3.808 0 1 FHAF Cc1cc(C)n(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587582395 PEMBKIVXWRIKFZ-WIYYLYMNSA-N 364.401 3.626 0 1 FHAF Cc1cc(F)cc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587504178 GHKAJMPVRPIHKP-OAQYLSRUSA-N 351.377 3.826 0 1 FHAF O=C(c1ccc(Br)s1)n1ncc2ccc(Cl)cc2c1=O 587654545 UDWNDKJAVUNSCM-UHFFFAOYSA-N 369.627 3.562 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2cnn(C)c2)C1(C)C 587481013 XIGYMLJNRZUKNO-IERDGZPVSA-N 354.450 3.996 0 1 FHAF N[C@]1(c2nc3ccc(Br)c(O)c3[nH]2)C[C@H]1c1ccccc1F 587158804 XSWKBNJRABAXSS-XXFAHNHDSA-N 362.202 3.512 0 1 FHAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc(O)c2[nH]1 587198048 FPHDSDDOBKCPIM-UHFFFAOYSA-N 358.401 3.794 0 1 FHAF COc1cccc(C)c1[C@@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962767745 QQBWOQDWWAYAEL-BEFAXECRSA-N 363.379 3.913 0 1 FHAF Cc1ccc(NC(=O)C[C@@]2(C)NCCc3c2c(C(C)C)nn3C)cc1Cl 962915869 VQRLTCVWALRFJB-HXUWFJFHSA-N 374.916 3.895 0 1 FHAF Cc1ccncc1[C@]1(c2cccc(F)c2)NCCc2c(C(=O)O)cccc21 963128965 CDHMFFXZFAASCD-JOCHJYFZSA-N 362.404 3.665 0 1 FHAF CCC(=O)NCc1cncc(N2C(=O)c3ccc(Cl)cc3C2(C)C)c1 223998762 OZEHXABZZXPKSS-UHFFFAOYSA-N 357.841 3.657 0 1 FHAF COc1cccc(F)c1-c1cc(F)cc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772650158 SLEFEEHAXHDIGU-CQSZACIVSA-N 374.343 3.938 0 1 FHAF CCC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 13834585 IZRCBCKFMRACRK-MRXNPFEDSA-N 368.485 3.592 0 1 FHAF NC(=O)c1cccc(-c2cn3c(-c4ccc(F)c(Cl)c4)cnc3cn2)c1 1857607550 IOAKHXNTVMPGLV-UHFFFAOYSA-N 366.783 3.955 0 1 FHAF CN(C)CCNc1cncc(-c2ccc3[nH]cc(-c4cccc(N)c4)c3c2)n1 1857637202 OZFLDPINWWCZMD-UHFFFAOYSA-N 372.476 3.848 0 1 FHAF Fc1ccc2[nH]cc(CCCNCCOc3cccc4nc[nH]c34)c2c1 3923589 IJEMOGZEWHHTQP-UHFFFAOYSA-N 352.413 3.785 0 1 FHAF O=C(O)c1cc(C(F)(F)F)ccc1N1CC(Oc2ccc(F)cc2)C1 103251172 BFLPLSPELJPCJL-UHFFFAOYSA-N 355.287 3.810 0 1 FHAF CCCSc1ncccc1C(=O)N(C)[C@@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101539079 MYUWJGFKFGXFOP-AGSNQCHPSA-N 360.523 3.595 0 1 FHAF COP(=O)(OC)[C@H](OC(=O)COc1ccccc1F)c1ccco1 103190715 MMAVYRAHAAELSR-HNNXBMFYSA-N 358.258 3.525 0 1 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@H](C2)[C@H]1C[C@@H](C)C(=O)C3 100786985 JKRWGJJCQQNKLV-SBMLGJNUSA-N 353.506 3.979 0 1 FHAF CC1(C)CC2=Nc3nc(O)nc(O)c3[C@H](c3ccc(F)cc3)C2=C(O)C1 103941756 AKPMIIZCBACAEZ-CYBMUJFWSA-N 355.369 3.877 0 1 FHAF C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N(C)C 27559416 PKNMKZPILBHOLY-LBPRGKRZSA-N 360.841 3.524 0 1 FHAF CC(C)c1ccc(-c2c(NCCCN3CCC[C@H](C)C3)c(=O)c2=O)cc1 20510302 IPHMFNVTBSZBCI-INIZCTEOSA-N 354.494 3.607 0 1 FHAF CCCCN1CCC2(CC1)O[C@H](OC)Cc1c2cnn1-c1ccccc1 72116169 JJCFTNTUUVOVSO-FQEVSTJZSA-N 355.482 3.509 0 1 FHAF CC[C@@]1(c2ccccc2)OC(=O)C[C@]1(Cc1ccc(OC)cc1)C(=O)OC 73167315 IJLFWJKLZPQOTO-YADHBBJMSA-N 368.429 3.650 0 1 FHAF COc1ccc(-c2nc3nccc(C(=O)Nc4cnccc4C)c3[nH]2)cc1 84670338 USLKSBWEDVVGFB-UHFFFAOYSA-N 359.389 3.589 0 1 FHAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 238745475 NPRCUKSJBBVTGN-APZMVMRLSA-N 362.466 3.927 0 1 FHAF CC(C)N(C)C[C@H](O)COc1ccc2cc(Br)ccc2c1 96903464 RTSPQNYEIWFBCP-INIZCTEOSA-N 352.272 3.682 0 1 FHAF N[C@H](Cc1nc2ccc(Cl)nc2[nH]1)c1ccc(Br)cc1 586998111 XHPLWARAIDBSDG-SNVBAGLBSA-N 351.635 3.616 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587493013 ZZEPCSVCSNLTCL-YULWEGQASA-N 358.434 3.960 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OC1CCOCC1)O2 587413118 PXYUQQWXGCIDSY-FQEVSTJZSA-N 353.418 3.842 0 1 FHAF O=C(O)c1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1F 587005012 IXZXVFSVKSUNIU-UHFFFAOYSA-N 370.565 3.878 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(OC)n1)CC2=O 587483695 DCPCLVXVUYYJCO-FQEVSTJZSA-N 357.406 3.638 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(C(F)F)n1 587556496 OQRIKUFHEYEEFO-RHSMWYFYSA-N 358.300 3.687 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(C(=O)O)[nH]c4ccc(C)cc14)[C@@H](C2)C3=O 587436838 BHJGOIMWFWHBLW-RBZFPXEDSA-N 363.369 3.672 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC3(C[C@H]2C1)OCCO3 587491086 NAFOGICZDVXFOL-VTEUUUEMSA-N 358.434 3.612 0 1 FHAF C[C@H]1CCc2ccc(Br)cc2-c2nc3nc(O)nc(O)c3cc21 587366830 QMIVCNNHHWONFN-QMMMGPOBSA-N 372.222 3.915 0 1 FHAF C[C@@]1(c2cc(O)cc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612376 UOYSSEMCVDGJRS-RXVVDRJESA-N 364.353 3.680 0 1 FHAF CC[C@]1(c2ccnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757713 HOBNBPMSVFMJDP-HWPZZCPQSA-N 352.251 3.510 0 1 FHAF O=C(O)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c[nH]1 586989628 MSTRFIOBNZAAQW-UHFFFAOYSA-N 356.337 3.845 0 1 FHAF CCn1nccc1[C@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587517905 WZKFCQAIXHYEHM-VKXNWWILSA-N 365.477 3.718 0 1 FHAF C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2cccc(F)c2c1C1OCCO1 587635553 NGUWEUBCAOXPRU-SNVBAGLBSA-N 350.390 3.938 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587428580 KHGUGHRIDZGKOB-FYYVMTAXSA-N 361.438 3.505 0 1 FHAF COc1cc(C)nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587772061 NEVQJVPLRUDIQO-XLFHBGCDSA-N 365.246 3.924 0 1 FHAF COc1cc2c3c(c1)O[C@H]([C@@H](C)c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587442129 KCYINSMDSWNFBP-DQLGPHAMSA-N 354.402 3.632 0 1 FHAF COc1ccc2c(c1OC)[C@@H](c1c(OC)ccc(F)c1F)N(C)[C@@H](C)C2 962565547 HTHQNRMVTREJQO-WLRWDXFRSA-N 363.404 3.956 0 1 FHAF CC(C)c1nn(C)c2c1[C@@](C)([C@H]1CC=C(Br)CC1)NCC2 962923492 ZFDGCQGCUYZPQO-YVEFUNNKSA-N 352.320 3.983 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@](CC(=O)C(C)(C)C)(C(C)(C)C)NCC2 962926404 CCVNXIAUNSKAMV-QFIPXVFZSA-N 358.526 3.781 0 1 FHAF COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)CCC2)cc1OC 1772637646 RKJZOYRJGIPFLH-UHFFFAOYSA-N 356.397 3.760 0 1 FHAF CCC[S@](=O)c1sc2nc(-c3cccs3)cc(C(=O)O)c2c1N 1772601310 PFZBBZVFQSMOKW-QHCPKHFHSA-N 366.489 3.823 0 1 FHAF COc1ccc(Br)cc1CCc1ccccc1C1=NCCCN1 13559855 WMSIKZDVBSROMD-UHFFFAOYSA-N 373.294 3.983 0 1 FHAF COc1cc(-c2cc(=O)c3ccc(OC)c(OC)c3o2)cc(OC)c1OC 14645315 IQXUAKMLDBLFJK-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF endogenous,in-man O=C(O)c1cccc(-n2c(/C=C/c3ccncc3)nc3ccccc3c2=O)c1 1857563688 YJNRGSOODLBKOP-CMDGGOBGSA-N 369.380 3.649 0 1 FHAF CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)c1 769299 ZHOFIIWDXHXMFA-PKOBYXMFSA-N 372.852 3.919 0 1 FHAF COc1ccc([C@H]2SCC(=O)N=C3C2=C(C)NN3c2ccccc2)cc1 104002244 ULKFLMDPDKMWGP-LJQANCHMSA-N 365.458 3.707 0 3 FHAF O=C1CC(=O)N([C@H]2CCc3ccccc32)C(=O)N1[C@H]1CCc2ccccc21 102842865 NKESPPLEVGOHRA-OALUTQOASA-N 360.413 3.542 0 1 FHAF CCCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc(OC)ccc2[C@@H]1C 27618999 DNUBBCSVGGVWSS-AWEZNQCLSA-N 366.465 3.916 0 1 FHAF COc1ccc(-c2noc(N[C@@H](C)c3ccc4c(c3)OCCO4)n2)cc1 20379269 JSESBSMGUVZTMV-LBPRGKRZSA-N 353.378 3.690 0 1 FHAF Cc1c([C@@H](C)OC(=O)Nc2ccccc2)oc2nc(C(F)(F)F)nn12 66252577 BDNZVCRTCLYQQP-SECBINFHSA-N 354.288 3.959 0 1 FHAF COc1ccc(C[C@@H](N)c2csc(Nc3nc(C)cnc3C)n2)cc1 61904950 LEJHJDVPFQWTCQ-OAHLLOKOSA-N 355.467 3.545 0 3 FHAF Cc1nc(-c2ccc(N3CCC(Oc4ccccc4Cl)CC3)nn2)no1 28655414 XZSFRERKLUSEFV-UHFFFAOYSA-N 371.828 3.536 0 1 FHAF COc1ccc2c(c1C/C=C(\C)CO)O[C@H](c1ccc(O)cc1O)CC2 73276521 ZWYKFLRPPQSGJI-BBYTVTEQSA-N 356.418 3.654 0 1 FHAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(Cl)ccn1 1911582984 FPXOZKOMBWTTDA-OAHLLOKOSA-N 370.815 3.867 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1 40422710 XBTWVVKEPQZCNG-QFBILLFUSA-N 372.896 3.888 0 1 FHAF CC(C)Cc1nc2c(NCc3cccs3)ncnc2n1C[C@H]1CCCO1 82178052 OJARZMOXQXEOGW-CQSZACIVSA-N 371.510 3.877 0 1 FHAF Cc1ccnc([C@H](C)O)c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144371581 PZTMYTIVXKJTBY-VUCTXSBTSA-N 365.408 3.955 0 1 FHAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2-c2ccc(F)cc21 96906440 QIYSNMRDRVCGBC-UHFFFAOYSA-N 363.801 3.578 0 1 FHAF OC1CCC(Nc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1 96174947 UGCCFJQVUHNGIM-UHFFFAOYSA-N 359.433 3.660 0 1 FHAF CC(C)(C)[C@H]1C=C(C(=O)N2CCCC2)O[C@@H](OCc2ccc(CO)cc2)C1 95665740 SJDIGZSINXBHQV-AZUAARDMSA-N 373.493 3.611 0 1 FHAF CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)C(=O)O)=N1 95602598 MRUPOSGQIWSVEY-KRWDZBQOSA-N 356.853 3.707 0 1 FHAF c1ccc2c(c1)sc1ncnc(N[C@H]3CC[C@H](N4CCOCC4)CC3)c12 299820578 HADKMORLDJRRSK-SHTZXODSSA-N 368.506 3.900 0 1 FHAF CCn1c(NC2CCCC2)nc2cc(CNc3cccnc3)sc2c1=O 299828023 GOEFUPJHGAUSQS-UHFFFAOYSA-N 369.494 3.840 0 1 FHAF COCc1cccc(NC(=O)Nc2cccc3c2[C@H]2CCCCN2C3=O)n1 653740769 YHJZSFHIQAQIBG-MRXNPFEDSA-N 366.421 3.553 0 1 FHAF Cc1cc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c(C)n1 587042822 MXSARFKFSPBWQU-CQSZACIVSA-N 358.854 3.884 0 1 FHAF FC(F)(c1ccccn1)c1nc2c(Cl)c(Br)cnc2[nH]1 587088982 HIVYZRAJAQDNMT-UHFFFAOYSA-N 359.561 3.909 0 1 FHAF CCOC(=O)CNc1ccc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc1 587224840 KNLNMKQKLIOGEO-UHFFFAOYSA-N 352.438 3.897 0 1 FHAF CCc1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587791806 NFAQULIQOUNPSD-PWJLMRLQSA-N 352.251 3.806 0 1 FHAF CCCCNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587659001 XVJYNJNRNICMLS-UHFFFAOYSA-N 373.428 3.864 0 1 FHAF Brc1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2n1 587036884 OZLRMIZCVHZRGF-SNVBAGLBSA-N 350.241 3.638 0 1 FHAF Fc1cnc(Br)c2[nH]c([C@](F)(Cl)C(F)(F)F)nc12 587090233 NYFCGBFESQFAKN-SSDOTTSWSA-N 350.472 3.783 0 1 FHAF O=C1CSC[C@@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)N1 587044320 ZVCYAJOEBXLWKR-AWEZNQCLSA-N 366.471 3.744 0 1 FHAF C[C@]1(c2ncc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568037 JZBRGTVPGCDAFQ-UZLBHIALSA-N 369.323 3.942 0 1 FHAF CCOc1cc(/C=C\c2nc3ccc(C(N)=O)cc3[nH]2)ccc1OC(F)F 587129556 DPSZVCYREUUWRX-YWEYNIOJSA-N 373.359 3.832 0 1 FHAF Cc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 587002093 SRXYGOHOUJAEQO-HWKANZROSA-N 372.222 3.970 0 1 FHAF O=Cc1ccc(OCc2occc2-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 586900161 DZIYUABWCQDURA-UHFFFAOYSA-N 374.356 3.796 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccc(O)cc2)N1 587836235 ZWZXZOYGPOHFIY-JDNHERCYSA-N 364.214 3.752 0 1 FHAF CCOC(=O)c1cc(C)n([C@H](COc2cc(F)cc(F)c2)N=O)c1C 587946139 SRZFLGPVQOUFDQ-MRXNPFEDSA-N 352.337 3.904 0 1 FHAF CC(C)[C@]1(Cn2cccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587758421 IYWDNHMJTWSXRN-SJCJKPOMSA-N 366.278 3.870 0 1 FHAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587936895 MOWJKHXRZOMYHE-BUXKBTBVSA-N 366.396 3.733 0 1 FHAF COCc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587586167 HWZIEIIQTAAZRZ-GHTZIAJQSA-N 363.369 3.637 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)oc1C 587867710 NBMBUKPGRQIUHQ-UHFFFAOYSA-N 365.311 3.871 0 1 FHAF N=c1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c[nH]1 587109091 ARRBJGHIMHWCSH-UHFFFAOYSA-N 360.261 3.999 0 1 FHAF COC(=O)c1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587235192 GIGYJYLTWNCTGD-ZIAGYGMSSA-N 373.453 3.900 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)c(F)c(F)c3[nH]1)C2 587246875 JIMQVDFQMKUGDE-GOSISDBHSA-N 363.795 3.846 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@@](Cc2ccccn2)(C2CCC2)N1)C(F)(F)F 962728100 CGWYHHQHQCFZLF-AZUAARDMSA-N 374.406 3.965 0 1 FHAF CCCNC(=O)N(C)C(=O)N1N=C(c2ccccc2)[C@@H]1c1ccccc1 5845451 GONNRUTYCLLGEZ-SFHVURJKSA-N 350.422 3.619 0 1 FHAF C[C@@H](Cn1ccnc1NC#N)c1ccc(OC(F)F)c(OCC2CC2)c1 13438959 PLELSWHATSZTIO-LBPRGKRZSA-N 362.380 3.970 0 1 FHAF c1ccc2c(c1)C[C@H]2CCN1CCN(c2cccc3c2OCCCO3)CC1 13743695 QGDRAGAYUUOYII-LJQANCHMSA-N 364.489 3.700 0 1 FHAF CC1(C)[C@H]2CC=C(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)[C@@H]1C2 19359249 AWAFRJRSKSTLHU-OALUTQOASA-N 354.494 3.525 0 1 FHAF CC[C@@H]1CCCN1Cc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 169165331 OSJDALWDLCNCID-GOSISDBHSA-N 351.494 3.614 0 1 FHAF COc1ccc(CN[C@H](c2ccc[nH]2)c2nnc(-c3ccccc3)o2)cc1 169307903 NJCVGYHUXRYVJG-LJQANCHMSA-N 360.417 3.953 0 1 FHAF CCNC(=O)Nc1ccc2ncc(Nc3cccc(OC(C)C)c3)nc2n1 169711833 QMIOTVIVFHJLRE-UHFFFAOYSA-N 366.425 3.697 0 1 FHAF COc1ccnc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1 204762348 DLVABOPQYSXZPM-UHFFFAOYSA-N 350.382 3.504 0 1 FHAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C/c2csc3ccccc23)C(=O)O1 1857630798 XELZELDAOXMYOD-VPLQDYMCSA-N 374.458 3.552 0 1 FHAF COC(=O)Cc1ccccc1NC(=O)c1cccc(-c2cccc(CN)c2)c1 223802939 NJQXPHXXASFTHH-UHFFFAOYSA-N 374.440 3.780 0 1 FHAF O=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 3956360 VUVBNIGCEFPLBL-HXUWFJFHSA-N 371.412 3.579 0 1 FHAF COc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(C)=O)cc1 7992269 JFUHFKPBJBRVKC-ACCUITESSA-N 355.434 3.774 0 1 FHAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc(=O)oc2ccccc12 103187093 YNQUNLKVGDHQDU-GHRIWEEISA-N 366.369 3.532 0 1 FHAF O=C(O)C[C@H]1C[C@@H]1c1cccc(OCCc2ccc3c(n2)NCCC3)c1 28648217 OCTQRAGMJGKHHA-VQIMIIECSA-N 352.434 3.639 0 1 FHAF Fc1ccc2nc(CO[C@@H]3CN(Cc4ccccc4F)C[C@@H]3F)[nH]c2c1 2356504667 AACNFPFWXNTEAX-MAUKXSAKSA-N 361.367 3.580 0 1 FHAF Cc1ccc(NC(=O)Cc2cs/c(=N/c3ccc(F)cc3)n2C)cc1 29125288 CXBHSIAKLLEWCS-ZBJSNUHESA-N 355.438 3.948 0 1 FHAF C[C@]12CCC=C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 2356636772 ULDLIESGVCHUSR-WEQFDGKBSA-N 372.505 3.524 0 1 FHAF Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1 36338834 KTQYQHLIMZOBSM-UHFFFAOYSA-N 360.377 3.819 0 1 FHAF O=C(Cc1ccccc1F)N1CCC(c2nc(-c3cccs3)no2)CC1 71318649 MNTAOZSQGYPQEK-UHFFFAOYSA-N 371.437 3.886 0 1 FHAF CC1(C)CCc2c(O)cc3c(c2O1)[C@@H]1Oc2cc4c(cc2[C@@H]1CO3)OCO4 13378611 BNJPLSYAABGQMS-HXPMCKFVSA-N 368.385 3.834 0 1 FHAF biogenic Cc1c2n(c3ccccc13)CC[C@H]1[C@@H]2NCCN1CCOc1ccccc1 40818416 SENLLPLKILVHFI-VXKWHMMOSA-N 361.489 3.747 0 1 FHAF COc1cc(-c2cccc(C(=O)NCc3ccccc3)c2)cc(C=O)c1O 43202386 QOGGUYIDUZQOMF-UHFFFAOYSA-N 361.397 3.810 0 1 FHAF COc1ccc2[nH]c(-c3ccc(NC(=O)CCCCC(=O)O)cc3)nc2c1 299837386 QQJOKJUKOUOZEQ-UHFFFAOYSA-N 367.405 3.822 0 1 FHAF O=C1CSc2ccccc2N1Cc1cn(Cc2cccc(Cl)c2)nn1 653805747 CDPMLHVSPGYATE-UHFFFAOYSA-N 370.865 3.619 0 1 FHAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2ccncc2[nH]1 587092036 QXDSMCUZLSFIIB-UHFFFAOYSA-N 362.233 3.980 0 1 FHAF Cc1ccc2c3c(cc([C@H]4CN(C)CC[C@@]4(C)O)nc13)-c1ccccc1C2=O 587096144 DTSUXNLJLFWJHV-NTKDMRAZSA-N 372.468 3.925 0 1 FHAF COc1ccc([C@H](O)[C@H](C)c2nc3cncc(Br)c3[nH]2)cc1 587938126 STCYXUAOXLRWBF-BJOHPYRUSA-N 362.227 3.566 0 1 FHAF CCn1nc(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587763529 JXCUZKZHDVKOKZ-ABKXIKBNSA-N 352.251 3.737 0 1 FHAF Cc1sc(=N)[nH]c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587854783 UAJGZQHNEWEWBO-NZFNHWASSA-N 370.291 3.563 0 1 FHAF COC(=O)c1cc(Cl)c2nc(-c3cc(Cl)c(OC)cn3)[nH]c2c1 587064696 NDDCRINFSRSCJG-UHFFFAOYSA-N 352.177 3.727 0 1 FHAF COC(=O)c1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587624199 ZWQWVVRBVIONJM-UHFFFAOYSA-N 371.194 3.655 0 1 FHAF O=C1C[C@@](C(=O)O)(c2cc(F)ccc2F)Oc2c1ccc1c2CCCC1 587506874 QLDCHCWTOKITEG-FQEVSTJZSA-N 358.340 3.789 0 1 FHAF CCCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587584280 ZGKJMXXKGXUZMN-PXNSSMCTSA-N 350.374 3.702 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(CO)c2)N1 587826686 LIVUGKXSRWPZBM-ADLMAVQZSA-N 364.258 3.878 0 1 FHAF Cc1c(Br)cnc2nc(-c3ccc4oc(=O)ccc4c3)[nH]c12 586916711 WMRMRVDTTSXIIG-UHFFFAOYSA-N 356.179 3.802 0 1 FHAF Cc1cc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2cc1Br 587962809 ZUGKVSQUSILPNF-UHFFFAOYSA-N 359.223 3.852 0 1 FHAF CCOC(=O)[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592568 AHRSOPOHIXRYRJ-LAUBAEHRSA-N 370.401 3.702 0 1 FHAF CC[C@]1([C@H](C)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587804254 DEEPCJGEHUCJCR-XIZWVBILSA-N 358.251 3.537 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc2ccccn12 587585492 DJRCQFKJSXPOAS-PXNSSMCTSA-N 358.353 3.743 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3nccnc23)N1 587789810 ASGXYOKKVYLIGN-PSLIRLAXSA-N 373.229 3.550 0 1 FHAF COc1cc(OC)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587006578 ICWZMWZPBOMQLV-UHFFFAOYSA-N 373.210 3.886 0 1 FHAF Cc1ccc([C@]2(c3ccccn3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963039590 YOQQYCOAIZIVPG-OSPHWJPCSA-N 369.468 3.735 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2OC)(C(=O)O)N1 962958955 VFFLVGDAGDMSES-QRQCRPRQSA-N 364.445 3.623 0 1 FHAF Cc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)c2ccc(F)cc2C[C@@H]2CCCN21 963097749 HKFYJTLPYBNXDX-AOMKIAJQSA-N 365.404 3.759 0 1 FHAF COc1cccc(C[C@@]2(CO)CCCN(Cc3ccc(OC)cc3F)C2)c1 11817284 YEGBSRACYHRYQM-QFIPXVFZSA-N 373.468 3.660 0 1 FHAF CCCc1c[nH]c([C@@H]2Cc3ccccc3N2C(=O)[C@@H](N)Cc2ccccc2)n1 13588005 ZZEDLGWKSNXBSZ-FPOVZHCZSA-N 374.488 3.563 0 1 FHAF CN1[C@H]2CC[C@@H](OC(=O)[C@@](O)(c3ccccc3)C3CCCCC3)[C@H]1CC2 169336856 OKUUPHMNOPNUDM-NXLVEIQXSA-N 357.494 3.623 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(C)c1 169723943 VGSUAGXLTLOJBS-AEFFLSMTSA-N 357.450 3.958 0 1 FHAF CCC[C@H](C(=O)Nc1c(C)cccc1C)N1C(=O)C(=O)c2ccccc21 206050510 QWHPJZAFMSGSRS-QGZVFWFLSA-N 350.418 3.640 0 3 FHAF CCOC(=O)N(Cc1cccs1)c1cc(OC)c(OC)c(OC)c1 1662788 ASLOELGYAKDINH-UHFFFAOYSA-N 351.424 3.937 0 1 FHAF O=C(c1cccc(F)c1)N1CCC2(CCN(Cc3nccs3)CC2)CC1 4237974 JKEZRQFURHNWAO-UHFFFAOYSA-N 373.497 3.801 0 1 FHAF OCCOc1ccc(C2(c3ccc(OCCO)cc3)C[C@H]3CC[C@H]2C3)cc1 101144266 OHBQNPOQGFFFTL-PXNSSMCTSA-N 368.473 3.535 0 1 FHAF COc1cc([C@H]2Oc3c(OC)cc([C@H](OC)[C@H](C)O)cc3[C@H]2C)ccc1O 100822415 DHRVKFSLKMAPEL-RWLOKEPNSA-N 374.433 3.715 0 1 FHAF endogenous,in-man CC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]2C(=O)C[C@H]1C3 2356437071 FSXAFKCSUNTGFS-XWTWWCFFSA-N 362.510 3.892 0 1 FHAF Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)NC(C)C)no1 61895959 AQRYCZSWJDDAQG-QGZVFWFLSA-N 373.428 3.628 0 3 FHAF CCOC(=O)[C@@]1(C)CCCCCN1C(=O)c1ccc(C(F)(F)F)nc1C 61895743 QWWZXGCDVOVSBG-QGZVFWFLSA-N 372.387 3.747 0 3 FHAF COc1cc(C[C@@H]2NCCc3c2[nH]c2ccccc32)cc(OC)c1OC 26669521 NDGFACWSBYSFHD-KRWDZBQOSA-N 352.434 3.623 0 1 FHAF 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]4CC[C@]3(C)[C@H]12 2356536958 FOCHOSLOYHRWHT-XUFXNOPVSA-N 374.521 3.747 0 1 FHAF COc1ccc([C@H]2Oc3c(OC)cc(C=CCO)cc3[C@H]2C)cc1OC 2356690028 JRYJEMVPVZEOPW-XCLFUZPHSA-N 356.418 3.955 0 1 FHAF O=C(c1ccco1)c1cnn2c(-c3cccc(NC(=O)C4CC4)c3)ccnc12 28819300 XTRLGHKSOCBHII-UHFFFAOYSA-N 372.384 3.569 0 1 FHAF CC(C)NC(=O)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1 36289088 ZSWBEXROVVAQGI-UHFFFAOYSA-N 373.541 3.808 0 1 FHAF CCCCCCNC(=O)CSc1nnc2c3ccccc3n(CC)c2n1 7096793 OZKYHUOMTKLRCB-UHFFFAOYSA-N 371.510 3.788 0 1 FHAF biogenic O=C(NC1CCCC1)c1noc(-c2ccc(C(F)(F)F)c(F)c2)c1CO 72176639 RPSSJILAQRPJMY-UHFFFAOYSA-N 372.318 3.664 0 1 FHAF O=C(Nc1cccc(Cl)c1)c1ccc2cc3n(c2c1)CCCNC3=O 73164312 BTCGJYJHCYOBJS-UHFFFAOYSA-N 353.809 3.681 0 1 FHAF CCOC(=O)[C@H]1CCCN(C(=O)c2cc3cc4ccc(C)cc4nc3o2)C1 34855151 YBDXUCLYHAVWGS-HNNXBMFYSA-N 366.417 3.705 0 1 FHAF Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(Br)c21 36473453 JIMBVEMVHPOOIA-UHFFFAOYSA-N 355.191 3.964 0 1 FHAF O=Cc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@H]2c1cc(O)cc(O)c1 15262169 OQPLDSDBGSRXSC-FPOVZHCZSA-N 364.353 3.587 0 1 FHAF biogenic N[C@@H](COCc1ccccc1)COc1cncc(/C=C\c2ccncc2)c1 37867114 XFTPNRUQKBIHDT-NGXITPROSA-N 361.445 3.570 0 1 FHAF Cc1ncc2c(n1)-c1cc(Br)ccc1-n1cnc(Cl)c1C2 45245686 YDAJOWKRYMPVKQ-UHFFFAOYSA-N 361.630 3.958 0 1 FHAF O=C1C(N2CCCC2)=NN(c2ccccc2)CN1c1ccccc1Cl 45356290 HBCPUSFRVYENPS-UHFFFAOYSA-N 354.841 3.560 0 1 FHAF Cc1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 45319455 FIGDYIJYOZCGNZ-ZWKOTPCHSA-N 362.395 3.633 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)cccc1-n1ccnc1)O2 587382069 NTPMNZBMWVUMGL-FQEVSTJZSA-N 351.381 3.783 0 1 FHAF Cc1cc(C)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nc2c1O 587653233 STNDMFVZVQVKNJ-UHFFFAOYSA-N 351.793 3.910 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(C(=O)O)cccc31)CC2=O 587480095 FDWZJSMYIAJOOK-OAQYLSRUSA-N 352.386 3.850 0 1 FHAF CN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]2CCC[C@@H]21 587587413 MSIFROMZKLFJTN-RZJBWQBDSA-N 365.429 3.597 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(CO)c2)N1 587829980 ZPXRDJJJKTVCCW-BBATYDOGSA-N 364.258 3.878 0 1 FHAF CC(C)N1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587768875 NBNMOALSNNNKHN-LBPRGKRZSA-N 355.295 3.822 0 1 FHAF C[C@@]1(c2csc(=N)[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379505 YMOROMJEKLQWHA-LPHOPBHVSA-N 370.405 3.675 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(Cl)ccc21 587460974 JRNNXCZNNGPDIB-LJQANCHMSA-N 357.793 3.811 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccnc1C(=O)O)O2 587394444 UYIAMMWNJSGROP-QFIPXVFZSA-N 374.396 3.579 0 1 FHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccnc(Br)c2[nH]1 587174539 KMXDZYYFNLFJLI-LLVKDONJSA-N 374.217 3.583 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(Cc3ccccc3)CC[C@@H]1C)O2 587392510 AZVTYDGFZIPILH-AOMKIAJQSA-N 350.462 3.823 0 1 FHAF Cc1[nH]nc2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 587596708 REIXIYQYSKDKGG-FXAWDEMLSA-N 373.368 3.675 0 1 FHAF O=S(=O)(/C=C\c1nc2ccc(Br)cc2[nH]1)c1ccccc1 586926963 SBKALOLLYXCJMW-HJWRWDBZSA-N 363.236 3.770 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1[nH]c4nccc-4c(Cl)c1F)[C@@H](C2)C3=O 587427282 RSZZKOAOMASVDS-DYZYQPBXSA-N 358.756 3.804 0 1 FHAF COC(=O)c1cccc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c12 586915267 BWXNCRGNVMBWNP-BTYIYWSLSA-N 364.401 3.566 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3[nH]c(O)cc32)N1 587806865 WETVXHNKSORMTF-VVVCHXIZSA-N 365.246 3.736 0 1 FHAF OC1(c2nc3cc(Br)ncc3[nH]2)CCC(C(F)(F)F)CC1 587126871 OAKCVTKTQLDDFY-UHFFFAOYSA-N 364.165 3.661 0 1 FHAF CC(C)c1cc(CN2Cc3ccccc3S2(=O)=O)nn1-c1ccccc1 1772648924 ZVWTWMKAOFXEDR-UHFFFAOYSA-N 367.474 3.700 0 1 FHAF c1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1 13559986 QZDWWRKBDPYMIP-UHFFFAOYSA-N 353.385 3.919 0 1 FHAF Cc1ccc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)cc1 14944696 ZOQAYLAHTNMBEF-UHFFFAOYSA-N 350.426 3.502 0 1 FHAF CC(=O)[C@@]12[C@@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@@H]1c1ccccc1)[C@]32C 169355483 ZXKPEKZKEYGWNX-GDXKHXNESA-N 360.457 3.904 0 1 FHAF CCCCNC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166901508 MOVOYOUMHJPPQC-UHFFFAOYSA-N 355.413 3.903 0 1 FHAF COC[C@H](OC(C)=O)[C@@H]1OCc2ccccc2[C@@H]1C=Cc1ccccc1 1857622902 SSAJXUFJYJHGDQ-FDFHNCONSA-N 352.430 3.961 0 1 FHAF C[C@@]1(C(=O)NCCc2ccccc2F)CON=C1c1cccc(Cl)c1 772710 CDYYCPUXYGWWNK-LJQANCHMSA-N 360.816 3.579 0 1 FHAF COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1 2480365 YFJZNBZBPOZITA-UHFFFAOYSA-N 366.417 3.784 0 1 FHAF CC(C)NC(=O)c1onc(CSc2ccc(C(C)C)cc2)c1C(=O)O 8672390 YAAIOYQSSKQRHO-UHFFFAOYSA-N 362.451 3.927 0 3 FHAF CC1=Nc2nnnn2[C@@H](c2ccccc2F)/C1=C(\O)OC1CCCCC1 104060104 ZXVWQVAZDYSEKX-UYTDBDHRSA-N 357.389 3.627 0 1 FHAF CC1=C[C@H](CNCc2ccncc2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356300700 MKZSWWNXODCULS-VAMGGRTRSA-N 354.498 3.960 0 1 FHAF O=S(=O)(Nc1ccccc1)c1cc2c(cc1Cc1ccccc1)OCO2 29550947 GPAUXTKYMPTQEZ-UHFFFAOYSA-N 367.426 3.807 0 1 FHAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1cccnc1 116815653 OBECWQKEMCDNIH-UHFFFAOYSA-N 373.338 3.811 0 1 FHAF COc1ccc(-c2ccccc2)cc1NC(=O)[C@@]1(C)CCN1C(=O)C(C)C 61906029 SXJPMPCNIGOPKY-JOCHJYFZSA-N 366.461 3.948 0 3 FHAF COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H](OC)[C@@H]2OC 14642533 RCABCWRSNHSFDC-AQNXPRMDSA-N 360.406 3.549 0 1 FHAF biogenic COc1ccc(-c2nc(CNCc3ccc(OC)c(OC)c3)co2)cc1 72103598 HPEKYPRKBAEKMZ-UHFFFAOYSA-N 354.406 3.657 0 1 FHAF O[C@@H]1CCN([C@@H]2CCCC[C@@H]2OCCc2c(Cl)cccc2Cl)C1 145389938 AHTASIQFBOOLDV-XWIAVFTESA-N 358.309 3.930 0 1 FHAF O=C(Nc1ccccc1-c1ccc2c(O)nc(O)nc2n1)Oc1ccccc1 587556707 ZIJBURYATYVVDB-UHFFFAOYSA-N 374.356 3.714 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CCO[C@H]1C21CCC1 587839428 SDUQCZQJOIHHCH-IGMLBDDESA-N 366.274 3.907 0 1 FHAF COc1cc2c3c(c1)O[C@H](C1(NC(=O)OC(C)(C)C)CCCC1)[C@@H](C2)C3=O 587432958 NUUHGCVGFVBOGK-KSSFIOAISA-N 373.449 3.649 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1OC(F)F)[C@@H](C2)C3=O 587423239 SMMVLYBGXOORFL-SCLBCKFNSA-N 362.328 3.794 0 1 FHAF COC(=O)c1cc2[nH]c([C@@H](O)[C@H](C)c3ccc(C)cc3)nc2cc1OC 586885634 CRXGHXUVWRGOGT-XIKOKIGWSA-N 354.406 3.504 0 1 FHAF Cc1c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905616 VWJUZFDGTORXAC-HNNXBMFYSA-N 352.369 3.826 0 1 FHAF CC(C)[C@@]1(c2nccn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754367 LXLCJDFLDXBSSO-APPDUMDISA-N 366.278 3.756 0 1 FHAF COC(=O)C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593688 MTGSHDJOXXSRSB-UTKZUKDTSA-N 370.401 3.702 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C)N(C)C[C@H]2C)N1 587762574 TUAHOALOKBORIT-BDBYMAIGSA-N 355.295 3.678 0 1 FHAF CCN1CCC([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587770653 SMBWXOHFBQCQDH-APPDUMDISA-N 355.295 3.895 0 1 FHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587052723 JVJQWPUUSFCCCB-SNVBAGLBSA-N 356.735 3.578 0 1 FHAF CN1CCN(c2ccc3nc(CCc4ccccc4Cl)[nH]c3c2)CC1 587058092 CZLCPEBURCHUBA-UHFFFAOYSA-N 354.885 3.753 0 1 FHAF CCOC(=O)c1c(C(Cl)(Cl)Cl)[nH]c2c(C(=O)O)cccc12 587638574 NQKLDJHLXFBZIM-UHFFFAOYSA-N 350.585 3.870 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Cl)cc(Cl)cc21 587379025 FUJCIEYVJQUYIM-KRWDZBQOSA-N 363.200 3.697 0 1 FHAF O=C(O)c1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167450 NKLBLFMDGOUUPK-INIZCTEOSA-N 368.368 3.769 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CC=Cn3ccnc32)[C@@H]1c1ccc(F)cc1 587339016 PJLJCTZKCPMGOG-WIYYLYMNSA-N 362.360 3.857 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(C(=O)C(F)(F)F)c2c1 587649277 OVTGPKJBTFDGER-UHFFFAOYSA-N 367.348 3.983 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(O)cc21 587404434 QEMRALFQPFLWKG-QHCPKHFHSA-N 371.392 3.736 0 1 FHAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1cccnc1 586988025 KYEQNFQXAYDJLJ-UHFFFAOYSA-N 366.376 3.972 0 1 FHAF CN(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587612200 KYFPXMLGKJKFQD-CRAIPNDOSA-N 368.414 3.618 0 1 FHAF COC(=O)C[C@]1(c2c(C)cc(C)cc2C)CC(=O)c2cc(C)cc(N)c2O1 587399410 KPNIZRDAHFGOJX-QFIPXVFZSA-N 367.445 3.926 0 1 FHAF CC(=O)c1ccc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962761327 HLDYMNJSANIHAO-DOMZBBRYSA-N 353.365 3.686 0 1 FHAF Cc1cc([C@@H]2c3ccsc3CCN2C(N)=O)c(C)n1Cc1ccncc1 962713268 UCYVGHJBWLLIIA-IBGZPJMESA-N 366.490 3.636 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(F)c(C(F)(F)F)c1)NCC2 962934857 KKXSPRRKWKNAJL-KRWDZBQOSA-N 366.358 3.781 0 1 FHAF O=C(Nc1ccccc1O)/C(=C\c1ccsc1)NC(=O)c1ccccc1 5175443 AVJUWZYBRHVUFB-SFQUDFHCSA-N 364.426 3.863 0 1 FHAF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(C)=O)cc2)cc1 13685946 RBQSARCIGLNTFF-UHFFFAOYSA-N 361.449 3.685 0 1 FHAF O=C1O[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(F)cc(F)c1 13740660 RRMHOUYEUUCREL-KRWDZBQOSA-N 356.328 3.536 0 1 FHAF CC(C)(C)[C@@H]1OC(=O)[C@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1 1857743611 ZAIPGFQJHPUGIG-ZWKOTPCHSA-N 353.418 3.920 0 1 FHAF Cc1ccc(OC(=O)Nc2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1 1857746282 NMCHJZIAQALUSF-CQSZACIVSA-N 365.433 3.940 0 1 FHAF CC(C)=CC[C@]12C[C@@H]3C(=O)O[C@@H](CC(C)C)C(=O)N3[C@H]1Nc1ccccc12 257605768 WLPAAGQHCJNVMM-GMQQQROESA-N 368.477 3.605 0 1 FHAF COc1ccc([C@H]2C=C(NCCN(C)C)c3cc(F)ccc3N2)c(F)c1 101426657 NXXOPCWBNIOPNC-HXUWFJFHSA-N 359.420 3.632 0 1 FHAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)s1 100969831 AZGJPBSOUXXLFR-WXLTTXQYSA-N 368.296 3.550 0 1 FHAF Cc1nc(-c2ccccc2)c(C(=O)N2CCC(O)(c3ccccc3)CC2)o1 103290144 YPMBOOLMLHFGKO-UHFFFAOYSA-N 362.429 3.774 0 1 FHAF Cc1csc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)n1 103241459 VQBUKNKQGBYHMI-UHFFFAOYSA-N 360.458 3.650 0 1 FHAF Cc1ccc(C(=O)NCCCCCCC(=O)Nc2ccccc2N)cc1 117587426 VNPLXSVTRADHGM-UHFFFAOYSA-N 353.466 3.896 0 1 FHAF O=C(c1ccc(F)cc1)N1CCc2nc(COc3ccccc3F)oc2C1 113230700 IUGFGGQWCRHERZ-UHFFFAOYSA-N 370.355 3.730 0 1 FHAF C/C(=C\[C@H](O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(C)C 27882994 RGNJDHHFPNONLY-CEBQYOBMSA-N 354.531 3.605 0 1 FHAF O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1cccnc1 66128903 DTMGUJFFBQAVJX-HXUWFJFHSA-N 350.805 3.584 0 1 FHAF COC(=O)CCC(C)=C[C@H](O)C[C@@](C)(O)C=C[C@@H](CCC(C)=O)C(C)C 2356617400 BPWLFOMOKYQCNL-DYXWJJEUSA-N 368.514 3.586 0 1 FHAF CC(C)N(CC[C@](CCN1CCCCC1)(C(N)=O)c1ccccc1)C(C)C 39254131 WXJSTNMSFVGACB-QHCPKHFHSA-N 373.585 3.795 0 1 FHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1C(C)(C)CCC[C@]1(O)C2 14758665 GNVMHDPNRQZLBQ-QKKBWIMNSA-N 362.466 3.916 0 1 FHAF biogenic O=C1NCCc2[nH]c(-c3cccc4ccc(Nc5cccnc5)nc34)cc21 222457307 WZGQPKOXPDHTTO-UHFFFAOYSA-N 355.401 3.654 0 1 FHAF CCCCc1cc(N2CC[C@@H](NC(C)=O)C2)nc(Nc2ccc(C)cc2)n1 45229344 VAKUBOYSQMKJEN-LJQANCHMSA-N 367.497 3.586 0 1 FHAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3CO)co2)cc1 82072694 GQLWSJNVKSNZAZ-QGZVFWFLSA-N 372.465 3.898 0 1 FHAF O=C(c1ccc(Cl)cc1)N1CC(c2nc(-c3cccc(F)c3)no2)C1 95577238 HMIRGJBPQPWWNW-UHFFFAOYSA-N 357.772 3.769 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(N)c3)cc2)C[C@H]2CC[C@H]1N2C 253633154 FNFCKPGBCJVUBJ-NCYKPQTJSA-N 350.462 3.675 0 1 FHAF O=C(NCCCCNC(=O)NC1CCCCC1)Nc1ccccc1Cl 68586704 JTBCTRFKJJBIAK-UHFFFAOYSA-N 366.893 3.874 0 1 FHAF biogenic O=S(=O)(Nc1nccnc1Nc1cccc(Cl)c1)c1ccccc1 299823710 SOZTYFVNLHDNAF-UHFFFAOYSA-N 360.826 3.674 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[C@@H](C2)C3=O 587436028 MHWRRQVJLHGARG-HCQWSFJTSA-N 373.449 3.601 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)nc2)N1 587736981 CPEKCXABUMGGOU-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC(C)=O)ccc1OC)CC2=O 587478900 KTQBUABUESTMGG-HXUWFJFHSA-N 370.401 3.985 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4occ(C(=O)O)c41)[C@@H](C2)C3=O 587456464 VOKSURYCVZHKQM-ZSEKCTLFSA-N 368.385 3.602 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)nc2)N1 587736983 CPEKCXABUMGGOU-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF O=C(CCCc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1ccc(Cl)cn1 587081615 DERZXXWEEOTICQ-UHFFFAOYSA-N 361.760 3.654 0 1 FHAF COc1ccc(C)cc1C(=O)CCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587787329 OFRQFHRGJQIKBS-UHFFFAOYSA-N 363.417 3.580 0 1 FHAF Oc1nc(S)nc2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc12 587145142 JFMYEEPNQCFZMJ-UHFFFAOYSA-N 356.357 3.959 0 1 FHAF C[C@H](N)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575842 DQLWCDLGBCNROV-OSGPJOMKSA-N 361.397 3.597 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(C(=O)O)cc31)CC2=O 587490288 RGHCYLVABLWNQH-OAQYLSRUSA-N 352.386 3.850 0 1 FHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 587787446 VSGQQRARAWJJNS-VXGBXAGGSA-N 372.222 3.664 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCn2cccn2)N1 587759078 KDFFFTISVBGRCN-BZNIZROVSA-N 352.251 3.624 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOC)cc1O)CC2=O 587478380 FWGVYXNWELLSGT-HXUWFJFHSA-N 372.417 3.782 0 1 FHAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1CCF 587721095 VPEOGFZHQJDDCY-FVMDXXJSSA-N 370.241 3.686 0 1 FHAF COc1ccc(C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600124 LKVHGSBEBNREIU-UXHICEINSA-N 362.381 3.974 0 1 FHAF CN(C)c1ccncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574319 XAIFQDIAGFOAPI-NQIIRXRSSA-N 362.385 3.556 0 1 FHAF Cc1[nH]c2cc(F)ccc2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1 587634560 KCZWCPAWSJVMAG-UHFFFAOYSA-N 370.384 3.947 0 1 FHAF Cc1noc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587343386 BVEWNMFWLAUCJT-AZUAARDMSA-N 368.364 3.583 0 1 FHAF C[C@]1(c2[nH]nc3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590718 AIHZIOKFFFSIBU-KKSFZXQISA-N 373.368 3.541 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1nc(C(=O)OCC)cs1)CC2=O 587493343 GCOYKENRYORUHJ-OAHLLOKOSA-N 361.419 3.684 0 1 FHAF CC(=O)C[C@@]1(c2ccco2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587825589 BATXVRPLJSQROQ-BTDLBPIBSA-N 366.230 3.938 0 1 FHAF COC(=O)CCCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595276 QWINSLSSEGKIAR-APWZRJJASA-N 370.401 3.846 0 1 FHAF Cc1ccc(F)cc1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587500801 DDUWRJVDCCWSRG-NRFANRHFSA-N 354.377 3.958 0 1 FHAF Oc1ncnc2ccc([C@@H]3c4ccsc4CCN3Cc3cccnc3)cc12 962990857 CBFDZRAFOVZVOC-HXUWFJFHSA-N 374.469 3.940 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@](c1cccc(F)c1)(C1CCC1)NCC2 962932077 DKODDUNWHXKTEC-JOCHJYFZSA-N 352.453 3.717 0 1 FHAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc(C)n1 962707238 KNGIMWOOJVUVDK-HOTGVXAUSA-N 368.330 3.545 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1nccnc1-c1ccco1 963057947 PNVVVVLQEAWSIX-FQEVSTJZSA-N 358.401 3.529 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@H](C[C@@H]1CCN(Cc3ccccc3)C1)C2 1772646245 TUFQEVJENHMDPV-PKOBYXMFSA-N 365.473 3.971 0 1 FHAF CSc1ccccc1OCc1cc(C(=O)NCc2cccc(C)n2)no1 11937007 QJHQJRUTLSWCDT-UHFFFAOYSA-N 369.446 3.609 0 3 FHAF Cc1ccc(C(=C2[C@@H]3C=C[C@@H]2[C@@H]2C(=O)NC(=O)[C@H]23)c2ccc(C)cc2)cc1 169296459 ACTMDNIAXPEGIL-GPHNJDIKSA-N 355.437 3.810 0 1 FHAF Brc1cnc(Nc2ccncc2)nc1Nc1cc(C2CC2)[nH]n1 203005183 WDSVWMNZMKRLJW-UHFFFAOYSA-N 372.230 3.722 0 1 FHAF Cc1ccc(S(=O)(=O)N[C@H]2CCC=C2C/C=C\CCCC(=O)O)cc1 3806569 HUHXCCOOBLMBJA-VEXQSBSHSA-N 363.479 3.563 0 1 FHAF COC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc(OC)c(OC)cc1OC 1857565202 LPAMYFKYPDREIL-MRXNPFEDSA-N 370.405 3.630 0 1 FHAF COc1cc(CCc2ccc(OC)c(OC)c2OC)cc(OC)c1OC 6018077 XIFJHCMIHLZFMJ-UHFFFAOYSA-N 362.422 3.523 0 1 FHAF O=C(NC1CCCCCC1)[C@H]1c2ccccc2C(=O)N1Cc1ccco1 2467450 ALEMKDRPWWEKGZ-LJQANCHMSA-N 352.434 3.816 0 3 FHAF CO[C@]1(C(C)(C)O)C=C[C@](C)(O)CCC=C(C)CC(=O)C[C@@H](C)CC1 2356440775 PUAPJGQBSUWLAY-WMQCIHAUSA-N 352.515 3.955 0 1 FHAF COC(=O)[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1 2356396408 KAQREUHMTOCSOV-JHOJWFKBSA-N 358.434 3.681 0 1 FHAF CCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/c1ccc(CCCCC)cc1 27410437 IBQDUORNTQDWFN-RJCGUJTNSA-N 361.526 3.851 0 1 FHAF C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3c21 28902141 VLFWUBSOPITFCC-SNVBAGLBSA-N 353.809 3.921 0 1 FHAF COC(=O)C=C(C)CC[C@@H]1[C@](C)(O)C[C@H](O)[C@H]2C(C)(C)CCC[C@]21C 2356635842 MDVKJBFHLSNOIH-AJPPRCLOSA-N 352.515 3.850 0 1 FHAF COc1cc2cc(C=C[C@H](C)O)c3c(c2cc1OC)C[C@H]1CCCN1C3 2356669584 HIVKDOZRSFLVCE-WMLDXEAASA-N 353.462 3.772 0 1 FHAF CN1C[C@H]2CC[C@@H]3[C@]2(C1)[C@H](O)C[C@@H]1[C@@]2(C)CC[C@H](N(C)C)CC2=CC[C@@]31C 2356731751 XWPOTGXOZVRQJB-CVZAJUNJSA-N 372.597 3.782 0 1 FHAF COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C2=NC(=O)CS2)cc1 73295085 IOFSQNYFJYCKST-GOSISDBHSA-N 365.458 3.784 0 1 FHAF CCCC[C@@H](CC1(C(=O)Nc2nnc(CC)s2)CCCC1)C(=O)O 34803236 OELJYWODVDGDGG-LBPRGKRZSA-N 353.488 3.881 0 1 FHAF O=C(NC1CC1)c1n[nH]c2cc(-c3ccc(O)cc3)c(Br)cc12 40412138 MTNUEJMJUDNRFN-UHFFFAOYSA-N 372.222 3.590 0 1 FHAF COc1ccc(OC)c(-c2cc(NCc3ccccc3OC)ncn2)c1 82160861 BLIBRWDHPRIDQC-UHFFFAOYSA-N 351.406 3.782 0 1 FHAF CC[C@H](C)NC(=O)c1cnc(N2CCCCC2)nc1-c1cccc(C)c1 82146306 KIIWNEZSXPLNHM-INIZCTEOSA-N 352.482 3.971 0 1 FHAF C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3 223659333 LJQSYJGRLXLEDN-LBPRGKRZSA-N 353.495 3.781 0 1 FHAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3cccc(F)c3)ccc12 96905951 RHHQABWFWPUFCW-IBGZPJMESA-N 354.406 3.754 0 1 FHAF CCC(=O)Nc1ccccc1-c1nc(N=c2cc[nH][nH]2)c2ccccc2n1 473087378 FHJGHEFNWWKQAN-UHFFFAOYSA-N 358.405 3.534 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1cnccc12 587589213 WIFKCPCRXZKQBF-SIKLNZKXSA-N 359.381 3.981 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3CCC3=O)c1)CC2=O 587473937 CVZWJHZYTWSDAK-QFIPXVFZSA-N 365.429 3.962 0 1 FHAF Cc1nc(-c2ccncc2)nc(-n2ncc3ccc(Cl)cc3c2=O)c1C 587652324 CAFKKWUZQFWBAQ-UHFFFAOYSA-N 363.808 3.508 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)c(N)c2)N1 587744483 BTKMNMDVVNMMLI-HUTHGQBESA-N 364.262 3.550 0 1 FHAF C[C@]1(c2ccc(F)c(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557623 NWJKIXZLSVWIGC-WIYYLYMNSA-N 365.360 3.991 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc[nH]c2=N)N1 587692846 LXGJWPSLQUKOIY-UOWDBTKRSA-N 370.653 3.673 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccnn2C)N1 587760110 OCDHNOXMJWSWJS-YDPLOHEISA-N 364.262 3.785 0 1 FHAF CO[C@@H]1[C@H](C)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587600233 NEQJBMOCHHDVDL-JHZXAINRSA-N 354.402 3.784 0 1 FHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc([C@H](N)N=O)ccc2[nH]1 587147714 QNHQMVNJVHQRAQ-QGZVFWFLSA-N 368.347 3.632 0 1 FHAF COc1cc2c3c(c1)O[C@H](CCc1cc(F)cc(F)c1OC)[C@@H](C2)C3=O 587423073 IGTFZUMXZDFMNS-GDBMZVCRSA-N 360.356 3.731 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](C1CN(C(=O)OC(C)(C)C)C1)CC2=O 587476446 PAQKBEHQMIIIKT-KRWDZBQOSA-N 361.438 3.545 0 1 FHAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 587026774 HYJOLTSRNXLEDV-INIZCTEOSA-N 353.407 3.902 0 1 FHAF C[C@@]1(C2=NCCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374297 OVHVDISQUZKWTN-VQIMIIECSA-N 357.406 3.794 0 1 FHAF CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC)c1 587444517 ZZGIXHZAXHRFHN-IIBYNOLFSA-N 354.402 3.981 0 1 FHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 586882471 UUYBHRPPCZLKEA-UHFFFAOYSA-N 361.323 3.905 0 1 FHAF O=C(CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)Nc1cccc(F)c1 587161678 AWXWQLSWGHQCDJ-UHFFFAOYSA-N 355.266 3.830 0 1 FHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(F)cc(C(=O)O)c4[nH]1)(C3)C2 587951370 TZSSVSVBWKJZQO-WFSAKUOBSA-N 372.396 3.554 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)ccnc2Cl)N1 587708094 XVEXTYROGHECJA-JKYUHCHBSA-N 370.653 3.842 0 1 FHAF Cc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587776077 WCVPSRGQBSFCDM-BCTVWOGZSA-N 353.235 3.991 0 1 FHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccnc(Cl)c3[nH]2)C(F)(F)C1 587131755 CBPTZERLVWZAQE-MRVPVSSYSA-N 358.776 3.581 0 1 FHAF O=C1CSc2ccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc2N1 587044560 YTCOXRZWHIHFDT-UHFFFAOYSA-N 365.393 3.599 0 1 FHAF CN(C)CC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCC1 587570436 ITSAJXFRXXTRCO-NQIIRXRSSA-N 367.445 3.844 0 1 FHAF O=C1C[C@@]2(CCn3c(O)nc4cccc2c43)Oc2c1ccc1c2CCCC1 587522303 DSWNXVHHLCSYKG-JOCHJYFZSA-N 360.413 3.885 0 1 FHAF Oc1nc(O)c2ccc(-c3cc(Cl)ccc3Br)nc2n1 587365598 FLWOFRIYBDSNCK-UHFFFAOYSA-N 352.575 3.519 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2c(Cl)nc(Cl)cc2[nH]1 586966323 BDEQLVJEDYSZNG-UHFFFAOYSA-N 355.206 3.503 0 1 FHAF CS(=O)(=O)[C@@H]1CCCC[C@@]12c1ccsc1CCN2Cc1ccco1 962702517 AMWOBQLMNASCTQ-QZTJIDSGSA-N 365.520 3.582 0 1 FHAF CC(C)NC(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 13681931 FKSICUOFJYPFSV-FBIKERAHSA-N 371.521 3.750 0 1 FHAF Cc1ccc(C(=O)N2CC[C@H]3CN(c4cnc5ccccc5n4)[C@@H]3C2)c(C)c1 169701373 YLPPSSAUBAJKOZ-LAUBAEHRSA-N 372.472 3.598 0 1 FHAF NCc1ccc(NS(=O)(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 1857573768 SQFHDZAXKLOWDU-CMDGGOBGSA-N 356.369 3.577 0 1 FHAF COc1ccc2c(c1)CC[C@@H](C(=O)c1ccc(OC)c(OC)c1OC)C2 1857758847 BVTBSIHMHZKEDS-OAHLLOKOSA-N 356.418 3.709 0 1 FHAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=C[C@@H](O)OC1=O 2356392771 OMPUFZJBZRIZHJ-GVCQBIPESA-N 362.466 3.520 0 1 FHAF CC1(C)CC[C@@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)C1 101678245 PLVFCLKRSMXMLU-OAHLLOKOSA-N 362.857 3.642 0 1 FHAF CC(C)=CC[C@H](O)C(C)=CCc1cc(C(=O)O)cc(CC=C(C)CO)c1O 2356577436 DQNFLBXNPGBCOU-FQEVSTJZSA-N 374.477 3.778 0 1 FHAF COc1cc(C(F)(F)F)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1 29050091 OULZYJCJGXXRLZ-ROUUACIJSA-N 367.367 3.823 0 1 FHAF in-vitro COC(=O)C1=CC[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2[C@H](C)CC[C@@H](O)C(C)C 2356642860 XPCAEPWERCDOLA-RLEVUBSISA-N 352.515 3.706 0 1 FHAF CC(C)C(=O)CC[C@@H]1C(C(=O)O)=CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]12C 2356693069 WIPXPVFNXVTASQ-NVRFMJDISA-N 350.455 3.920 0 1 FHAF O=C(O)[C@H]1[C@@H]2C[C@H]3[C@H]4[C@H]2C=C[C@H]1[C@@H]4[C@@H]3CCCc1ccc2c(c1)OCO2 2356728704 SMOQNODVPACIFX-OSBRLKCWSA-N 352.430 3.753 0 1 FHAF Cc1ccc2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c1 38157658 FDARYBMECCHJLV-UHFFFAOYSA-N 361.371 3.612 0 1 FHAF CCN(CC)C[C@@H](O)COc1ccc(F)cc1C(=O)CCc1ccccc1 73169249 MYOFINYJJNCNPU-LJQANCHMSA-N 373.468 3.723 0 1 FHAF CCN(CC)CCN(C)C(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 199391736 HEEHCIUOIHHTAR-UHFFFAOYSA-N 368.403 3.509 0 3 FHAF O=C(O)CC[C@H](O)c1ccc(OCc2cccc(Br)c2)cc1 45497106 KTDVWDYVGLKBFY-INIZCTEOSA-N 365.223 3.926 0 1 FHAF CCN1CCc2cc(OC)c(O)c3c2[C@@H]1Cc1cc(OC)c(OC)cc1-3 95586194 VHZDKWQFOJPTGT-HNNXBMFYSA-N 355.434 3.560 0 1 FHAF COc1ccc(S(=O)(=O)n2ccc(-c3ccc(OC(C)C)cc3)n2)cc1 2382223830 SGVLIDMPDAPWJX-UHFFFAOYSA-N 372.446 3.583 0 1 FHAF O=c1c2ccccc2nc(/C=C/c2c(O)cccc2O)n1-c1ccccc1 653866688 DKIIKLVIDGZDEJ-BUHFOSPRSA-N 356.381 3.967 0 1 FHAF N=c1[nH]cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc-2[nH]1 587071148 KAXMHPPGWJEKSC-UHFFFAOYSA-N 357.204 3.753 0 1 FHAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(F)c(F)c(F)cc2[nH]1 587039034 OIQBJFGWENOBFF-UHFFFAOYSA-N 371.344 3.846 0 1 FHAF Oc1nncc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586974716 GMTVKRBLQARGQN-UHFFFAOYSA-N 359.998 3.795 0 1 FHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(OC)cc2[nH]1 586962332 DDICHMHYNYMDFK-AWEZNQCLSA-N 360.439 3.628 0 1 FHAF COc1ccc(C2(c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)CC3(CCC3)C2)cc1 587938377 VZYBGJWGUHBNRZ-UHFFFAOYSA-N 369.856 3.629 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC(C)(C)C1)O2 587392842 DPOHAMFXNXFVDC-NRFANRHFSA-N 374.481 3.948 0 1 FHAF Clc1ccc(C2=C[C@@H](c3nc4cc5c(cc4[nH]3)OCCCO5)ON2)cc1 587076593 MXWVNMDPSQPUJU-SFHVURJKSA-N 369.808 3.995 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)ccc1OCC(=O)O)CC2=O 587481416 MEAOJSXOGNPRFW-LJQANCHMSA-N 370.401 3.823 0 1 FHAF CCCn1ccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757897 WCOVPNOUNBTGJE-MEBBXXQBSA-N 352.251 3.818 0 1 FHAF O=Cc1ccc(OCc2occc2-c2nc3cnc(Cl)[nH]c-3n2)cc1 586900930 OKSGHRDFEBYTCW-UHFFFAOYSA-N 354.753 3.609 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC3(CN(C(=O)OC(C)(C)C)C3)C1)O2 587400948 RSPJBNCCCPCELM-NRFANRHFSA-N 372.465 3.702 0 1 FHAF COC(=O)c1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587004337 TVMCTMPUPVRZHQ-UHFFFAOYSA-N 371.194 3.655 0 1 FHAF C[C@@H]1C[C@H](C(=O)O)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991713 VUUVTZNLDLRQNF-MNOVXSKESA-N 359.381 3.902 0 1 FHAF CSc1ccccc1[C@@]1(C2CC2)NCCc2ccc(C(=O)N(C)C)cc21 962926406 CDCVCDYFZPLSEW-JOCHJYFZSA-N 366.530 3.910 0 1 FHAF COc1cc2c(cc1OC)[C@@](C)(Cc1ccccc1C(=O)O)N(C)[C@@H](C)C2 962631761 ODKQPALHZSOPPZ-RCDICMHDSA-N 369.461 3.736 0 1 FHAF C[C@@]1(c2cccc(C(=O)O)n2)c2ccsc2CCN1Cc1ccco1 962714238 VQOYVMPYQAXJPH-IBGZPJMESA-N 354.431 3.756 0 1 FHAF COc1ccccc1-c1noc2ncnc(Nc3ccc4c(c3)OCO4)c12 15934712 LXARGAFWRJRGMP-UHFFFAOYSA-N 362.345 3.766 0 3 FHAF Cc1ccc(-c2noc(C3CC3)n2)cc1NC(=O)c1cnc2ccccn12 206123060 IACBZSGWVMFOJV-UHFFFAOYSA-N 359.389 3.822 0 1 FHAF COC(=O)c1cc(NC(=O)Cn2c3ccccc3c3ccccc32)cn1C 1663017 MCEWGRKQJJGVAX-UHFFFAOYSA-N 361.401 3.558 0 1 FHAF COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N(C)C 4081802 JQSYGZFHFUYJQF-FUHWJXTLSA-N 358.825 3.529 0 1 FHAF Cc1csc(Nc2nc(N)c(C(=O)Nc3cc(Cl)ccc3F)o2)n1 6721855 YZDHACHTTOLLGG-UHFFFAOYSA-N 367.793 3.810 0 3 FHAF O=c1n(Cc2ccc(F)cc2)c2ccccc2c2nc(-c3ccccc3)nn12 8654539 HHCAUAOLMQZOGR-UHFFFAOYSA-N 370.387 3.899 0 1 FHAF CN(C(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)c1ccccc1 102201686 XKBOKFINTGKGGI-XSYNCLLFSA-N 361.869 3.770 0 1 FHAF COc1cc2ccc(=O)oc2c(OC)c1OCC=C(C)CCC=C(C)CO 2356518762 BDQHRGSXCJSGNQ-UHFFFAOYSA-N 374.433 3.854 0 1 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@@H](C2)[C@H]1C[C@@H](C)C(=O)C3 29220885 JKRWGJJCQQNKLV-ZARRYTOOSA-N 353.506 3.979 0 1 FHAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)[nH]n1 72124656 XQHUHPOGCPLQDJ-UHFFFAOYSA-N 371.343 3.784 0 1 FHAF O=C(O)Cn1c2c(c3cc(Cl)ccc31)CN(C(=O)c1ccccc1)CC2 38224654 GMSNGAAHZCRDTP-UHFFFAOYSA-N 368.820 3.578 0 1 FHAF CCOc1ccc(Br)cc1-c1cc2nc(N)nc(N)c2cc1C 72142444 YCEDXTDKSNASDG-UHFFFAOYSA-N 373.254 3.931 0 1 FHAF in-vitro CC(C)=CC[C@]12CCN[C@H]1N(S(=O)(=O)c1ccccc1)c1ccccc12 73387330 PPCCDDMYZCTWHI-LEWJYISDSA-N 368.502 3.809 0 1 FHAF c1ncn(-c2ccc(Oc3cncc(NC4CCCCCC4)n3)cc2)n1 82068577 HVCDNHMTAPFEAY-UHFFFAOYSA-N 350.426 3.984 0 1 FHAF O=C(NCc1ccc(CO)cc1)c1coc(-c2ccc3ccccc3c2)n1 82081743 LNXKUESOUHBODU-UHFFFAOYSA-N 358.397 3.917 0 1 FHAF CC(C)C(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1 45497563 WRXMGBIIRVOTNL-RBBKRZOGSA-N 352.522 3.843 0 1 FHAF O=C(CCCCc1cc(CO)no1)Nc1nc(-c2ccccc2)cs1 40874606 MHNQHJJKXMFDIY-UHFFFAOYSA-N 357.435 3.642 0 1 FHAF OC[C@H]1[C@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@H]2[C@@H]1N1CCCC1 84709342 RSLYNHHGHMPLKL-OYTPZHDJSA-N 362.517 3.562 0 1 FHAF CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1ccccc1 146354491 AXGZSBVALVUFLA-UHFFFAOYSA-N 373.403 3.602 0 1 FHAF COc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(Cl)cc3)CCN1CC2 95592694 RHYAPXDEVZEEMS-YLJYHZDGSA-N 359.853 3.635 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccc4)[C@@H](C)C1)[C@@H](C2)C3=O 587437875 LTNHJEMOGQTDCH-IGCHPXFFSA-N 363.457 3.866 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCCCC2)N1 587765998 LUCYURRMMIMGOU-SJKOYZFVSA-N 355.295 3.824 0 1 FHAF C[C@]1(c2cc(F)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568588 FSOCVDMCHBQEJK-WIYYLYMNSA-N 365.360 3.991 0 1 FHAF Cc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)o1 587655823 GARXMGCLFTYYOT-UHFFFAOYSA-N 366.323 3.932 0 1 FHAF COc1cc(/C=C/c2nc3ccc(C(=N)N)cc3[nH]2)ccc1Br 586977107 NKPFURQLHDQLMD-XVNBXDOJSA-N 371.238 3.788 0 1 FHAF Cc1onc(-c2ccccc2)c1C(=O)n1ncc2ccc(Cl)cc2c1=O 587652682 YZXNDNOKFYESMS-UHFFFAOYSA-N 365.776 3.702 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(C)cc1-c1ccnn1C)[C@@H](C2)C3=O 587433193 WDAMNWDYLHVNDO-HTAPYJJXSA-N 360.413 3.893 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(CNC(=O)OC(C)(C)C)CC1)O2 587388299 ZXHPUWWIQSWPKL-UHFFFAOYSA-N 374.481 3.996 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnc2onc(C)c2c1 587870598 MZIROMYFLILHHY-UHFFFAOYSA-N 366.352 3.621 0 1 FHAF CC(C)N1C[C@H](C)[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587759612 HBKIOSLBRZFUFF-JKDFXYPNSA-N 355.295 3.678 0 1 FHAF CCOC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347029 KPJUUFRVDBEUQS-FPOVZHCZSA-N 372.392 3.992 0 1 FHAF CCc1ccc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587392141 XFSUOLZKOBCVAI-NRFANRHFSA-N 352.434 3.892 0 1 FHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc3c(cc2[nH]1)OCCO3 587109941 XWEYDHHCUMABQI-UHFFFAOYSA-N 364.279 3.718 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)O)cs2)N1 587850564 ZVQMYUIOJZUAKO-JKYUHCHBSA-N 370.243 3.972 0 1 FHAF CCOC(=O)Cc1ccc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2c1 586905427 OECBFASKWLUEHE-OAHLLOKOSA-N 354.406 3.607 0 1 FHAF CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)CCN(C)C4)n[nH]c2c1 1772602627 QDWOYBVROAQKIS-UHFFFAOYSA-N 373.460 3.876 0 1 FHAF Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C(C)C)C(C)C 13644272 AWIDORBJJWEWAP-UHFFFAOYSA-N 368.525 3.554 0 1 FHAF COc1ccc(OC)c(Nc2nc(-c3cccc(OC)c3OC)no2)c1 15770826 ZPSQZFGRKRDQAC-UHFFFAOYSA-N 357.366 3.515 0 1 FHAF CC[C@@H]1CCCCN1CCCNc1nc2ccccc2n2c(C)nnc12 6781798 ZLIFTFYGNZDJRI-MRXNPFEDSA-N 352.486 3.652 0 1 FHAF c1ccc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 58179276 QVEHIWFGLLRNMU-UHFFFAOYSA-N 352.375 3.634 0 1 FHAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1c(F)cccc1Cl 104059963 DCCWTSDFEBWQSI-YEQVNJDRSA-N 365.796 3.747 0 1 FHAF CC(C)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)nc2)CC1 53314226 DPMUEYLHARHGHU-UHFFFAOYSA-N 359.857 3.694 0 1 FHAF CCn1c2c(c(O)nc1=O)[C@H](c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 103663472 KWMKBPXMRACVMZ-OAHLLOKOSA-N 365.433 3.819 0 1 FHAF CO[C@@H](Cc1scnc1C(=O)Nc1nccs1)c1cccc(F)c1 28455341 FBOROBKOCKARKO-LBPRGKRZSA-N 363.439 3.921 0 1 FHAF COCCNC(=O)[C@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)CC1 61927418 HWZZIQNXHGBEJF-QFIPXVFZSA-N 366.505 3.718 0 3 FHAF Cc1cnnc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)[C@H](C)C2)c1 28397153 CKONHGWQVWTZEX-MRXNPFEDSA-N 367.497 3.825 0 1 FHAF CC[C@@H]1O[C@H](c2ccccc2)O[C@]1(C)[C@@H](O)[C@@H](C)COC(=O)C(C)(C)C 2356696795 RSHFRKZYSDAHHN-KDBGDGBXSA-N 364.482 3.856 0 1 FHAF O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCCC1)c1ccccc1 64274665 KCZQVDUNRPTDJR-FQEVSTJZSA-N 358.507 3.582 0 1 FHAF CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@]45[C@@H](CC[C@H]4O)[C@@]2(CCC(=O)O)[C@H]1N5C3 38311894 SVKSWJRYSQWJNQ-BYOSRVBTSA-N 361.526 3.527 0 1 FHAF biogenic,in-vitro COc1c2c(c(O)c3c1[C@@H](C)CO3)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 38278916 CZQHGFQNOPJKKQ-AVGWVYAKSA-N 358.434 3.962 0 1 FHAF COc1ccccc1-c1csc(N2CCC[C@H]2C(=O)NCC(C)C)n1 82197834 DYERNSDTABRENI-INIZCTEOSA-N 359.495 3.560 0 1 FHAF C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(CO)cc2)S1)c1ccc(F)cc1 40395437 WJJRVEFWXPKMQE-HXPMCKFVSA-N 358.438 3.513 0 1 FHAF O[C@@H](c1ccc(Br)cc1)[C@H](Cn1ccnn1)c1ccccc1 96286432 FUDQEWMPINDILM-SJORKVTESA-N 358.239 3.558 0 1 FHAF Cc1c2c(c(-c3ccc4c(c3)OCO4)c3cc4c(cc13)OCO4)COC2=O 238769855 ZQKDPOOVWORRMR-UHFFFAOYSA-N 362.337 3.943 0 1 FHAF CN(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[C@H](c2ccc(O)cc2)CC1 253658872 ATVUKKUJMJBVML-SYYKKAFVSA-N 366.505 3.708 0 1 FHAF O=C(O)C[C@H]1COc2cc(OCc3cccc(N4CCCC4)c3)ccc21 653724742 IURILXWYCJYPOU-INIZCTEOSA-N 353.418 3.817 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(CC(F)F)c2)N1 587722420 YOCOMJDQPOWGDL-GLEZIHRCSA-N 374.204 3.673 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(CC(F)F)n1 587558871 XUHKPEUXTJYVDG-QFBILLFUSA-N 372.327 3.557 0 1 FHAF O=C(O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520401 AKARWEORPFLQPS-IBGZPJMESA-N 352.386 3.735 0 1 FHAF CCS(=O)(=O)c1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2c1 587200856 APMYYODWUGFFOJ-UHFFFAOYSA-N 373.478 3.712 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@@H](C2)C3=O 587441486 GAENVODLYQWYRV-RKFVTTHHSA-N 373.449 3.601 0 1 FHAF COc1c2c(c(-c3cc4c5c(cccc5n3)CC4)c3c1OCO3)CCN(C)C2 587211238 BQJBJWHTTXMSIY-UHFFFAOYSA-N 374.440 3.726 0 1 FHAF CCOC(=O)[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352409 XFCURSOMVKQKBO-XLIONFOSSA-N 358.365 3.602 0 1 FHAF COC(=O)c1cccc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c12 587925387 NXRCEJCSXGEIHB-UHFFFAOYSA-N 354.406 3.542 0 1 FHAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)c(F)cc12 587510812 WZNXEOONWNQMBL-HXUWFJFHSA-N 355.340 3.656 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)ccnc2Cl)N1 587703162 FXEBKGQSJZLCLF-WJWGPLDTSA-N 370.653 3.842 0 1 FHAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(F)c(F)c2[nH]1 587064627 DOVDFRNXZHUNIC-UHFFFAOYSA-N 352.724 3.895 0 1 FHAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccc(S)c2)N1 962700235 QCASOCXZPVDRDV-CABCVRRESA-N 371.355 3.822 0 1 FHAF CCOC(=O)C[C@@H](C)C[C@@]1(c2ccccc2)NCCc2ccc(O)cc21 963329090 KXQQCQIEVSDDIY-ZHRRBRCNSA-N 353.462 3.761 0 1 FHAF Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(Cl)cc2C(N)=O)c1 200046841 YFGWKJNKZYWKQK-JKSUJKDBSA-N 373.888 3.568 0 1 FHAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CC[C@H](C)C2)c1O 1772628807 SMUKAUYOSDQMCW-WDEREUQCSA-N 374.890 3.538 0 1 FHAF COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@@H]23)ccc1O 13837357 KNUWZJNVRUBDEL-MOLYSANOSA-N 361.488 3.803 0 1 FHAF C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(C)cc(=O)c3c2OC)OC1(C)C 15266979 QNOQNIIIQHXDAV-CGICMKJESA-N 372.417 3.702 0 1 FHAF biogenic CC1=C(C(=O)OCc2ccccc2Cl)[C@@H](c2ccccc2)NC(=O)N1 205377960 ZDLMUHWUCWIIMU-QGZVFWFLSA-N 356.809 3.711 0 1 FHAF CCCCNC(=O)c1c(NC(=O)c2ccccc2F)nc2ccc(C)cn12 1857587784 WPMHKIJKDAJLCD-UHFFFAOYSA-N 368.412 3.564 0 1 FHAF CCN(CC)CCCOc1ccc(Nc2nccc(N3CCCC3)n2)cc1 1857616369 HRDUKMGWMMAQCW-UHFFFAOYSA-N 369.513 3.931 0 1 FHAF COC(=O)c1ccc([C@@H](O)CCN2CC=C(c3ccc(F)cc3)CC2)cc1 1857629635 SLGDJUHRNOXWQL-NRFANRHFSA-N 369.436 3.825 0 1 FHAF COc1cc(-c2cnc3c(N4CCOC(C)(C)C4)snc3c2)ccc1N 1857644301 UEXSUXQEOCWJNM-UHFFFAOYSA-N 370.478 3.564 0 1 FHAF CC[C@@H]1Cc2cc(OC(C)C)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857774064 YMXRTXMUDBREAD-CYBMUJFWSA-N 357.406 3.517 0 1 FHAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)O 2356346648 VSRXYLYXIXYEST-FGTMMUONSA-N 352.471 3.683 0 1 FHAF C[C@H](N)C(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 3823289 BLSRGJPGRJBHQK-MAUKXSAKSA-N 374.377 3.633 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4213261 YUUMXWVTUXKIMX-WBAXXEDZSA-N 365.543 3.828 0 1 FHAF CC1=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3cccnc3)N2C=C1 6721298 BBUANYMVSJEOOH-UHFFFAOYSA-N 360.261 3.837 0 1 FHAF CN1[C@H]2CC[C@@H]1C[C@@H](n1cc(CSc3nc4ccccc4s3)nn1)C2 100597504 DPESOHSUBIYPBV-QDMKHBRRSA-N 371.535 3.978 0 1 FHAF CCN1[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)OC(C)(C)C1(C)C 117851807 PPBODGWZUWSNHB-KRWDZBQOSA-N 360.498 3.943 0 1 FHAF CC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]2CC[C@H]1C3 2356635311 WOHNELZOUBHDQW-AEFRDVJXSA-N 364.526 3.684 0 1 FHAF COc1ccc(CCNCc2coc(-c3ccc(F)cc3)n2)cc1OC 72186419 NORQKWKEMUJIGJ-UHFFFAOYSA-N 356.397 3.830 0 1 FHAF COc1cccc(NC(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)c1 40011696 BWTAVATUBLOHGP-UHFFFAOYSA-N 367.449 3.886 0 1 FHAF COc1cc(C(F)(F)F)ccc1O[C@H](c1ccccc1)[C@@H]1CNCCO1 87723760 OULZYJCJGXXRLZ-ZWKOTPCHSA-N 367.367 3.823 0 1 FHAF in-vitro Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NC1CC(F)(F)C1 1911579226 OOFUEPOXKMXESN-UHFFFAOYSA-N 373.325 3.855 0 1 FHAF O=C1NC(=O)[C@H](Cc2ccc(Oc3ncccc3C(F)(F)F)cc2)S1 45336979 QVUNHTCQDCPKTR-LBPRGKRZSA-N 368.336 3.787 0 1 FHAF COc1cc2c(cc1C)NC(=O)/C2=C/c1cc(OC)c(OC)c(OC)c1 40568434 VFFOLIHLLNDWCY-VGOFMYFVSA-N 355.390 3.522 0 1 FHAF CCCC[C@@H](/C=C1/C[C@](CO)(COC(=O)c2ccccc2)OC1=O)CC 40896061 FHHQZFCFVOYPNH-JUJMOSGRSA-N 360.450 3.664 0 1 FHAF O=C(NCCO)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12 199098107 YOQWVOAKYLXHNR-UHFFFAOYSA-N 373.412 3.540 0 1 FHAF CC(C)(C)OC(=O)N1CC=C(c2nc(C3CCC3)n3ccnc(N)c23)CC1 96168251 XFJSRYOIBAKFSO-UHFFFAOYSA-N 369.469 3.603 0 1 FHAF CCCCCCCC(=O)C1=C2C=C3C=C(C)OC=C3[C@H](O)[C@@]2(C)OC1=O 85775076 LWWKRRPNDFSENZ-FPOVZHCZSA-N 358.434 3.647 0 1 FHAF biogenic Fc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1F 587117123 ADFGIZWEOWCUOK-UHFFFAOYSA-N 369.253 3.760 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CC=Cn3ccnc32)[C@H]1c1ccc(F)cc1 587338988 PJLJCTZKCPMGOG-GHTZIAJQSA-N 362.360 3.857 0 1 FHAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cnn(C)c3C)c2c1 587643227 SDMVEFLIMZINMV-LLVKDONJSA-N 353.422 3.741 0 1 FHAF Cc1cnc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587768942 FEPBPLMJKGVBLL-VVVCHXIZSA-N 364.262 3.793 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2F)N1 587730126 WUFSNEJMNJTGSZ-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF CCn1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587763471 JMFKLCYUXKCMRN-QFYYESIMSA-N 352.251 3.602 0 1 FHAF Oc1cc(-c2ccco2)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 587944968 BTEBIFSNCNZCPD-UHFFFAOYSA-N 351.337 3.668 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(C(=O)O)cc2[nH]1 587080945 VPXAOBMAHHRWDO-ZDUSSCGKSA-N 354.797 3.638 0 1 FHAF Cc1[nH]c(=N)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587849574 AYBBRIIHDIJXNE-NZFNHWASSA-N 370.291 3.563 0 1 FHAF COc1cc(C)nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587772830 PBNSKTLAYRKQME-XYZCENFISA-N 365.246 3.924 0 1 FHAF COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2ccc(F)c(Cl)c12 587630905 FEPHNBLFAKAGKW-UHFFFAOYSA-N 370.808 3.814 0 1 FHAF COC(=O)c1ccc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2n1 587237236 NHECOKVACWISTK-UHFFFAOYSA-N 350.422 3.934 0 1 FHAF COc1cc2c3c(c1)OC1(c4cc(O)ccc4-c4ccc(O)cc41)[C@@H](C2)C3=O 587453259 XTFPKOQTDCSIAW-IBGZPJMESA-N 372.376 3.778 0 1 FHAF COc1cccc([C@@]2(C3CC3)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1 963640640 WXDDESDJDGGEGC-RCDICMHDSA-N 353.462 3.900 0 1 FHAF Cc1ccc(-c2nc([C@@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)cs2)cc1 962905260 ZGXNHMQAWYOCIB-FUHWJXTLSA-N 368.433 3.946 0 1 FHAF CCC[C@@]1(C(=O)O)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961773138 DMQIZFJPVATQDN-NRFANRHFSA-N 374.481 3.918 0 1 FHAF O=C(CCc1ccccc1)c1ccc(OC[C@@H](O)CN2CCCCC2)cc1 13529206 IHCSOZZNVAFSOX-NRFANRHFSA-N 367.489 3.728 0 1 FHAF CC(=O)N(c1ccccc1)c1cc2c(cc1Nc1ccccc1)C(=O)NC2=O 13735570 HLLXEUNKQFCLRG-UHFFFAOYSA-N 371.396 3.998 0 1 FHAF Cc1cccc(CNCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)c1 169336034 MSNOIFLEYDRLSL-UHFFFAOYSA-N 358.445 3.620 0 1 FHAF CSc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1 169709307 CKXSBEQOEOYQAY-IFXJQAMLSA-N 371.506 3.658 0 1 FHAF COc1cccc(CN(C)C(=O)Nc2nc(-c3ccncc3)cs2)c1 165780198 RQKKDDPVAKBRAI-UHFFFAOYSA-N 354.435 3.878 0 1 FHAF COc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c(C)c1C 1857560931 FIRKOZAIRBVEMS-UHFFFAOYSA-N 362.433 3.540 0 1 FHAF COc1ccc2c3ccnc(C)c3n(S(=O)(=O)c3ccccc3)c2c1 1857586551 HEQHDLBMJBTFFO-UHFFFAOYSA-N 352.415 3.744 0 1 FHAF O=C(CCCN1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1 1857612313 MXKZBMGRCYCKSV-UHFFFAOYSA-N 361.848 3.659 0 1 FHAF COC(=O)c1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1=C(O)CCCC1=N2 104060586 RFMXUTDMJGSAKL-QGZVFWFLSA-N 366.421 3.860 0 1 FHAF O=C(O)[C@@H]1[C@H]2CN([C@@H]3CC[C@]4(Cc5ccccc5Cc5ccccc54)C3)C[C@H]21 101639441 ASARBMLXIRIMCK-JLCZXEHASA-N 373.496 3.886 0 1 FHAF COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@H]4[C@H](C2)N(C)CC[C@@]341 100797196 JUUYNFHQKQIBCF-MMRQGHOYSA-N 372.468 3.981 0 1 FHAF OC[C@H]1CC[C@H](n2cnc3c(NC4CCCCCC4)cc(Cl)nc32)O1 27318093 GXUKERFUHADYJZ-CZUORRHYSA-N 364.877 3.889 0 1 FHAF COCCOc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)nc1 113262909 QUHZPVGXUMNKLN-UHFFFAOYSA-N 353.300 3.549 0 1 FHAF COc1ccc([C@@H]2N(c3cc(OC)c(OC)c(OC)c3)C(=O)C2(C)C)cc1 66259677 DXDUDLWTSRMYRD-IBGZPJMESA-N 371.433 3.835 0 1 FHAF COc1cc(O)c(CC=C(C)C)cc1[C@@H]1COc2cc(O)ccc2C1=O 2356697346 FRFHHICFNPNJOV-KRWDZBQOSA-N 354.402 3.974 0 1 FHAF COc1ccc(OCCCCCOc2cccc(NC(N)=S)c2)cc1 40429997 GNLDNTBNJNEUDN-UHFFFAOYSA-N 360.479 3.979 0 1 FHAF O=C1O[C@H](COc2ccc(O)cc2)C=C1c1ccc(Br)cc1 45370163 MFPJSCQKTCMUCT-HNNXBMFYSA-N 361.191 3.543 0 1 FHAF COCOc1cc([C@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)ccc1OC 45285415 MEFJUGOHRMJHIR-HZPDHXFCSA-N 374.433 3.975 0 1 FHAF O=C1CCC/C=C\C[C@H]2C(=O)C[C@@H](O)[C@@H]2/C=C/[C@@H](CCc2ccccc2)O1 194868743 WWHYWVRAJPRWHZ-CUCNKVDVSA-N 368.473 3.784 0 1 FHAF Nc1ncc(-c2cc([C@H]3CCOC3)n([C@H]3CCC(F)(F)C3)n2)cc1F 146483823 TXKAZJWITDULGC-JQWIXIFHSA-N 352.360 3.531 0 1 FHAF CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1C 96903291 GMMCCBUPLVOKOX-IBGZPJMESA-N 355.478 3.550 0 1 FHAF CCCCCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC 653718352 MQSHMTIFVGCDJO-UHFFFAOYSA-N 360.479 3.679 0 1 FHAF COc1ccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2n1 586977400 NCRAQJVMLWUEMH-DAXSKMNVSA-N 360.211 3.908 0 1 FHAF Cn1cc(Cl)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587552377 QXDYJYLSTUPBDH-BEFAXECRSA-N 370.792 3.656 0 1 FHAF N[C@@H](Cc1nc2ccc(F)cc2[nH]1)c1ccc(Br)cc1F 587144672 PXVFTCASWXTNAW-LBPRGKRZSA-N 352.182 3.846 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2NC=Cn3cccc32)N1 587772804 OVXWYTGTZAFBBO-GPNNCHTKSA-N 362.246 3.738 0 1 FHAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587773725 RSPOZXGDLRVOMA-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF Cc1nccc2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc12 587019693 UWYHAZMWTGLDJV-UHFFFAOYSA-N 364.434 3.958 0 1 FHAF COc1ccc2nc(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)sc2c1 587035896 WFEMGJWNUIAZSH-UHFFFAOYSA-N 350.403 3.733 0 1 FHAF CCC[C@]1([C@@H](C)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587803360 ABBORQOGXNAAPO-PSVSLLHZSA-N 372.278 3.927 0 1 FHAF O=C1C[C@](Cc2cccc(F)c2)(C(=O)O)Oc2c1ccc1c2CCCC1 587505615 PKTQNPNBEMUSRY-OAQYLSRUSA-N 354.377 3.736 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N(C)C)s2)N1 587851815 CSHVRNKXWFPOKI-XLKFXECMSA-N 370.291 3.734 0 1 FHAF Oc1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586998653 NHZBWIRDYBKRJO-PLNGDYQASA-N 359.179 3.930 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 586916662 NERDYUUVWDNXII-VBKZILBWSA-N 368.364 3.617 0 1 FHAF CCOc1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)nn1CC(C)C 587392071 VXHQZKSVXOEELU-QGZVFWFLSA-N 357.454 3.843 0 1 FHAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(OCCN(C)C)cc2[nH]1 587930857 PYZXOLPPQQMYLV-VGSWGCGISA-N 365.477 3.957 0 1 FHAF COc1c(C)cc(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 587944404 GEOCKEOKWMWXQE-UHFFFAOYSA-N 361.398 3.721 0 1 FHAF CCN(CC)c1ccccc1C[S@@](=O)c1nccn1-c1ncccc1C 13746184 YPROIXTUSADDCZ-SANMLTNESA-N 368.506 3.730 0 1 FHAF C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(OC(=O)c4cccs4)cc3)C(=O)[C@H]12 18241646 AZNXRZJKYPNRLK-XGWLTEMNSA-N 367.426 3.669 0 1 FHAF CCS(=O)(=O)N[C@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205713451 IDQNXHUBIRPFEM-INIZCTEOSA-N 370.396 3.694 0 1 FHAF O=C(NCCc1ccccc1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205711141 SYEKXMHUDJRFMZ-CNNODRBYSA-N 370.493 3.669 0 3 FHAF Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N2CCCC2)cc1C 4649051 HWXGCPXTKLJRBE-AQTBWJFISA-N 354.475 3.758 0 1 FHAF CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncccn1 3799564 HEPUWLOXELZVJV-UHFFFAOYSA-N 371.448 3.740 0 1 FHAF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CN(C)C)C=C3C)[nH]c2n1 2356287105 ZZEVGBPUUUTQJS-BBWFWOEESA-N 356.514 3.925 0 1 FHAF c1ccc(C2=NO[C@@H](c3c[nH]c4ccccc34)[C@@H]2CN2CCOCC2)cc1 103287897 PDFYKKURFMOUES-KNQAVFIVSA-N 361.445 3.592 0 1 FHAF CCOC(=O)NC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 26189179 IKAHVYXTWBSOFQ-FQEVSTJZSA-N 366.417 3.593 0 1 FHAF COC(=O)CCC(=O)Nc1cccc(Oc2nc3ccccc3s2)c1 27327629 QLVPJPCKMMSLIT-UHFFFAOYSA-N 356.403 3.980 0 1 FHAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@H](C)[C@@H]2CC[C@@H]34)C1 2356566574 MFYNPKUAXIUSHE-CTJGFAOOSA-N 371.521 3.996 0 1 FHAF CC(=O)c1cccc(NC(=O)[C@@H]2Cc3c(-c4ccccc4)ccnc3O2)c1 61903611 HUNODKXGGXDFGY-FQEVSTJZSA-N 358.397 3.893 0 3 FHAF Cc1ccc(C(=O)NC2CC2)cc1-c1cc2c(cn1)C1(CCCC1)C(=O)N2 72180274 GQMZOGFWLDFTKS-UHFFFAOYSA-N 361.445 3.713 0 1 FHAF O=C(Oc1ccccc1OC(=O)c1ccc(O)cc1)c1ccc(O)cc1 49066850 NTINSLLQVJZIDT-UHFFFAOYSA-N 350.326 3.536 0 1 FHAF Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(CN3CCCC3)cccc1C2=O 49110449 IAGDICXFKFJSFF-UHFFFAOYSA-N 374.419 3.672 0 1 FHAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NCc1ccccc1 40393407 KIYULYGYNZQPPW-UHFFFAOYSA-N 351.431 3.836 0 1 FHAF CCc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]2)cc1 95581767 UFZXVQZPLIVXRY-UHFFFAOYSA-N 366.417 3.896 0 1 FHAF CCn1cc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 144904418 SSHLXVMUPHCFAJ-IBGZPJMESA-N 374.362 3.841 0 1 FHAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(OC(C)C)cn3)C2)cc1 96172952 FYOLUTVZJULBSK-OAHLLOKOSA-N 369.465 3.614 0 1 FHAF O=C(N[C@@H]1CCC[C@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1ccncc1 95587703 DYZFVEGUTIJBOD-YLJYHZDGSA-N 369.852 3.623 0 1 FHAF COC(=O)C1=CCC[C@H]2[C@@]1(C)CC[C@@H](CO)[C@]2(C)C[C@H](O)c1ccoc1 238775474 MDRPZJALROIKMT-OMBLBEMTSA-N 362.466 3.627 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(O)ccc1C2 587613304 YEJSFPQYJGBCSS-NZQKXSOJSA-N 374.392 3.987 0 1 FHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)NCc1ccco1 587622558 CROUBACBWMLFOA-UHFFFAOYSA-N 373.210 3.638 0 1 FHAF CC(C)n1nccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582990 SKGYIYHJLFNDFB-XLIONFOSSA-N 350.374 3.873 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cnc1NC(=O)C(C)(C)C)O2 587386547 ZNXDOGNLZNGUFG-INIZCTEOSA-N 371.412 3.802 0 1 FHAF CC[C@]1(c2cnccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774950 OPFPEJAIHNTIOO-MGPLVRAMSA-N 350.235 3.566 0 1 FHAF O=C(O)c1cccc2c(N3C(=O)CCC3=O)c(-c3ccccc3Cl)[nH]c12 587638778 PTZAERXWQAXRSV-UHFFFAOYSA-N 368.776 3.840 0 1 FHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cnc(Cl)[nH]c-3n2)c1 587241192 XFQPKAKYOYOQIL-UHFFFAOYSA-N 361.789 3.678 0 1 FHAF COc1cc2c3c(c1)O[C@@](CO)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587422631 QVQMAMWOWVIZLT-SGTLLEGYSA-N 365.212 3.637 0 1 FHAF Cc1cc(Br)cnc1-n1ncc2ccc(Cl)cc2c1=O 587651291 PXRJAVPLVZDMEH-UHFFFAOYSA-N 350.603 3.505 0 1 FHAF CCOC(=O)C[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352276 WECXLAHUIAHYKG-CTNGQTDRSA-N 372.392 3.992 0 1 FHAF Cc1nc2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2cc1Br 587156621 OHBRJJNYIYXAQY-MGPLVRAMSA-N 361.218 3.509 0 1 FHAF N[C@H](Cc1nc2ccnc(Cl)c2[nH]1)c1ccc(Br)cc1F 587142915 QNIVUCIVOJXKRD-SNVBAGLBSA-N 369.625 3.755 0 1 FHAF COc1ncccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587775388 ZRVISNNMAQSHGB-VFZGTOFNSA-N 351.219 3.615 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CC(C)C)NC(=O)OC(C)(C)C)O2 587385699 DZJXNMZQOHDUGB-NVXWUHKLSA-N 362.470 3.850 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2CCO)N1 587828052 QZZOVIYXFSCUNY-ZUCKAHLUSA-N 356.279 3.890 0 1 FHAF Clc1ncnc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 587012929 ODLNIEPHXSHSTL-UHFFFAOYSA-N 356.636 3.770 0 1 FHAF c1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1CN1CCOCC1 586887802 IASKSJZNYDEFIT-VDNWNZSNSA-N 351.494 3.863 0 1 FHAF CCc1cc2c(O)nc(O)nc2nc1-c1ccc(OC(F)(F)F)cc1 587368934 XSKRKRFQCORVDV-UHFFFAOYSA-N 351.284 3.564 0 1 FHAF Cc1cc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)ccc1C(F)(F)F 962919996 AEJRGZWTBYTKOL-SFHVURJKSA-N 362.395 3.951 0 1 FHAF CCC(CC)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1 221635745 WCAAQHLZWPOJLJ-UHFFFAOYSA-N 364.442 3.545 0 1 FHAF CN(c1ccc(-c2ccc(F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1 146661917 TVOYGKIUEVWKBY-UHFFFAOYSA-N 358.461 3.734 0 1 FHAF Cc1c(O)nc(=O)n(COCCc2ccc(F)cc2)c1CC1CCCCC1 1772637304 MUGNLYGNAFOIJM-UHFFFAOYSA-N 374.456 3.736 0 1 FHAF COc1cc(OC)c([C@@H]2C[C@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 1772576276 DBXAOTZQZGEQHY-MKCULMFZSA-N 366.429 3.598 0 1 FHAF Cc1ccc(CN(C)C(=O)c2cc(COc3ccc(F)c(F)c3)on2)o1 11662673 HMRDJISJCVOWQB-UHFFFAOYSA-N 362.332 3.705 0 1 FHAF O=C1Nc2cc(-c3ccccc3)ccc2/C1=C/c1[nH]cc2c1CCOC2=O 13490196 IBBDZRORXASUQY-BOPFTXTBSA-N 356.381 3.887 0 1 FHAF C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CC[C@@H]2C)cc1 13642960 RFPKDRLIUJAMFY-STQMWFEESA-N 352.438 3.545 0 1 FHAF COC(=O)c1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1 13730117 DCXUTZBPMPWZBF-UHFFFAOYSA-N 353.462 3.902 0 1 FHAF CC(C)c1cccc(-n2nnc(-c3nnc(-c4cccs4)o3)c2N)c1 1857766636 ONCATQGTSGFXHH-UHFFFAOYSA-N 352.423 3.751 0 1 FHAF C[C@H]1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)C1 3895557 DATXYHWLIOTALJ-GDIGMMSISA-N 368.502 3.917 0 1 FHAF CC[C@@H](C)N1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)NC1CCCCC1 4795210 JYMOBQLSSLRCRX-YPMHNXCESA-N 359.561 3.957 0 3 FHAF Cc1cc(C)cc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)C2CC2)C3)c1 101283163 JODOZENFAQJYNC-OALUTQOASA-N 355.482 3.747 0 3 FHAF Cc1ccccc1-c1cc2nc(NCc3ccncc3)n(C)c(=O)c2s1 61906088 FWVIJGPNFVLZIZ-UHFFFAOYSA-N 362.458 3.978 0 3 FHAF O=C(c1ccccc1Cl)[C@@](O)(Cn1ccnc1)c1ccccc1Cl 26008905 KIMIDHGECSSZSL-GOSISDBHSA-N 361.228 3.961 0 1 FHAF C[C@]1(C(=O)Nc2ccc3[nH]cnc3c2)CCN1C(=O)C/C=C/c1ccccc1 61902964 OQJQREJQOOOXSO-QNBZTBGESA-N 374.444 3.596 0 3 FHAF Cc1ccc(N2CCN(CC[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 29484901 DGIGLEPYWTWABF-HXUWFJFHSA-N 374.912 3.600 0 1 FHAF CCCCc1ccc(S(=O)(=O)Nc2ccc([C@]34CNC[C@H]3C4)cc2)cc1 35309425 NZOQVGKUAPXCFT-NQIIRXRSSA-N 370.518 3.691 0 1 FHAF O=C(Nc1ccccc1Cl)c1ccc(C(F)(F)P(=O)(O)O)cc1 49047752 KMTPLLVEMKVQMK-UHFFFAOYSA-N 361.668 3.819 0 1 FHAF CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2ccccc2)C(=O)O)=N1 96908783 MRUPOSGQIWSVEY-QGZVFWFLSA-N 356.853 3.707 0 1 FHAF C[C@]12CCC3=C(CC[C@@H]4C[C@@H](O)CC[C@]34C)C1=CC=C2C1=CC(=O)O[C@@H]1O 255218028 HMVKEBDVILRTFE-DETVHJLQSA-N 368.473 3.712 0 1 FHAF C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN(c3nc4ccccc4o3)C2)[C@@H]1C 618007437 AOGAPEDTGQFRBT-NCOADZHNSA-N 355.482 3.985 0 1 FHAF Cc1c(-c2ccccc2)cccc1N1Cc2cc(CNCCO)ccc2C1=O 2382223834 UQQGVDFIJULLOI-UHFFFAOYSA-N 372.468 3.904 0 1 FHAF Nc1ccccc1C(=O)C[C@@]1(O)c2ccccc2-c2nc3ccccc3nc21 473135234 MRSSHFSESDELKI-HSZRJFAPSA-N 367.408 3.701 0 1 FHAF CCOC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)n(C)n1 299861130 KMWWBGAHUJGBDU-UHFFFAOYSA-N 371.437 3.685 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3ccc(F)cc31)CC2=O 587469731 CHUHSNYNULMKAR-HXUWFJFHSA-N 356.349 3.654 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc3[nH]ncc13)O2 587374078 WZZKEXZVDAINIO-MRXNPFEDSA-N 372.222 3.923 0 1 FHAF COc1cccc(CONC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587876004 XTIVBSDRSDPZIX-UHFFFAOYSA-N 355.325 3.493 0 1 FHAF COc1ncc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572290 VAXKTHVATDERBY-VQIMIIECSA-N 367.332 3.638 0 1 FHAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(Cl)ccnc2[nH]1 587065290 NFHKANMCOJRIEN-UHFFFAOYSA-N 352.177 3.665 0 1 FHAF COc1ccc(S(=O)(=O)Cc2nc3ccc(Cl)c(C)c3[nH]2)cc1 586920829 RSOKUCWGKFIJIO-UHFFFAOYSA-N 350.827 3.507 0 1 FHAF CCN(CC)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332968 FEWUKIKSZIICPV-CTNGQTDRSA-N 357.425 3.991 0 1 FHAF COc1cc(OC)c2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc2c1 587233391 OLRJMCJQWSTKTJ-STQMWFEESA-N 361.442 3.741 0 1 FHAF Cc1c(Br)cnc2nc(-c3cccc(OCC(F)F)n3)[nH]c12 587125131 RFEWOBHREGPBIY-UHFFFAOYSA-N 369.169 3.735 0 1 FHAF O=C1C[C@@H]([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CO1 587536758 WGODZRLUKMIZAF-HXOBKFHXSA-N 362.425 3.989 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OC(F)F)[C@@H](C2)C3=O 587420943 IHHWAACJZRNBOU-YVEFUNNKSA-N 362.328 3.794 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)CC13CC3)O2 587400015 NIOFMYWUXFNPTB-NRFANRHFSA-N 372.465 3.702 0 1 FHAF O=N[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587570902 JSJSKOLODJDPOW-DXIQSLLYSA-N 373.364 3.940 0 1 FHAF C[C@@]1(Cn2cccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342936 QUCSTASRPGSRMG-QUCCMNQESA-N 352.365 3.546 0 1 FHAF CCc1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586923108 YONSGXWTZRXQKM-UHFFFAOYSA-N 354.475 3.630 0 1 FHAF CCOc1n[nH]c(-c2nc3cnc4ccccc4c3[nH]2)c1Br 586980213 RRCUWWNEJOCMNR-UHFFFAOYSA-N 358.199 3.662 0 1 FHAF N=c1[nH]c(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615981 YHLGGNCPZZAHSV-BXUZGUMPSA-N 374.805 3.618 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(=O)n(C)c2ccccc12 587872077 IQWSIONWQOTFNM-UHFFFAOYSA-N 363.392 3.929 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2C(F)F)N1 587715592 HYUGAYJOLIURHJ-WPPNPWJKSA-N 374.204 3.883 0 1 FHAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(CC1OCCO1)c1ccccc1F 963111811 RNFRHFFMVPMTQW-HTAPYJJXSA-N 371.427 3.992 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc2oc(C(=O)O)cc2c1 963060608 UHKRWVWOERCYMJ-FQEVSTJZSA-N 374.396 3.923 0 1 FHAF CCC[C@H](C(=O)c1cccc(I)c1)N1CCCC1 13682057 NYDUTEZMPZHSRY-CQSZACIVSA-N 357.235 3.738 0 1 FHAF in-vivo Clc1cccc2c1C[C@H]2CN1CCN(c2cccc3c2OCCO3)CC1 13743680 UWHIQMMTHHWXEE-HNNXBMFYSA-N 370.880 3.573 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1F 169723926 YRXCEVDLAFSRTE-DOTOQJQBSA-N 361.413 3.789 0 1 FHAF COc1ccc(C[C@@H]2COC(=O)[C@@H]2Cc2ccc(Cl)cc2)cc1OC 203674719 DCKRUYAVEILBBV-NVXWUHKLSA-N 360.837 3.932 0 1 FHAF Cc1cccc(C(=O)NCCc2c[nH]c3ccc(Br)cc23)c1O 1857543878 XZZITPYCIXIXPE-UHFFFAOYSA-N 373.250 3.917 0 1 FHAF COc1ccc(C(=C(F)F)c2cc(OC)c(OC)c(OC)c2)cc1N 1857637809 KVUQMSRUDFEMNF-UHFFFAOYSA-N 351.349 3.959 0 1 FHAF Fc1c(Cl)cccc1Cn1cnc(-c2cc(-c3cnn[nH]3)ccn2)c1 1857649199 INWJOKORMBHXJB-UHFFFAOYSA-N 354.776 3.571 0 1 FHAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccoc1 4153231 HLKCKCFCRDWDSJ-HKUYNNGSSA-N 356.422 3.686 0 1 FHAF CC[C@H](C)N1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)NC1CCCCC1 4795214 JYMOBQLSSLRCRX-AAEUAGOBSA-N 359.561 3.957 0 3 FHAF CC[C@H](C)NC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(Cl)ccc1C 103168876 WXKKMQRZYQBAIF-NSHDSACASA-N 374.872 3.836 0 1 FHAF Nc1ccc(-c2nc(-c3ccc([125I])cc3)no2)cc1 101665996 FQPAQISAGHRKKG-VLPIPSKASA-N 361.159 3.590 0 1 FHAF COc1ccccc1CN1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccncc2)cc1 100108738 NPSYZFOGEPYHIL-ACHVPNTGSA-N 371.484 3.697 0 1 FHAF CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O 34008944 VPBUGZZBDWMXJM-UHFFFAOYSA-N 368.477 3.527 0 1 FHAF Cc1[nH]n(-c2ccccc2)c(=O)c1-c1cc2c(=O)oc3ccccc3c2o1 71294347 PJAUHKBMHUGRFK-UHFFFAOYSA-N 358.353 3.994 0 1 FHAF O=C(c1cccs1)c1nc(NCc2cccnc2)nc2ccsc12 49125484 SOTGHKFMWIRWIT-UHFFFAOYSA-N 352.444 3.991 0 1 FHAF O=C(Nc1cc(F)c(-c2cn[nH]c2)c(F)c1)[C@H]1COc2ccccc2C1 40409754 VYWFLGVPKXPOKG-GFCCVEGCSA-N 355.344 3.545 0 1 FHAF CS(=O)(=O)Nc1cc(Nc2cc(-c3ccccc3)ncn2)ccc1Cl 40873836 JDRNFLBYWNKJOF-UHFFFAOYSA-N 374.853 3.912 0 1 FHAF Cc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140180004 PBLYFTOVXAUJDE-UHFFFAOYSA-N 353.429 3.999 0 1 FHAF COc1ccc(C(=O)c2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1F 95589629 AHAHGRQXIPKMTI-UHFFFAOYSA-N 373.380 3.583 0 1 FHAF CCOc1ccccc1C(=O)N1C[C@H](COc2ccc(F)cn2)CC[C@H]1C 96175599 QGSQYXJYCQQUOQ-HZPDHXFCSA-N 372.440 3.939 0 1 FHAF COc1ccc(-c2c3c(cc4cc(O)c(OC)cc24)C(=O)OC3)cc1O 238772321 ZOZBKYVHTWSGHN-UHFFFAOYSA-N 352.342 3.606 0 1 FHAF CC(C)(C)[C@@H]1C=C(C(=O)N2CCCC2)O[C@H](OCc2ccc(CO)cc2)C1 95797317 SJDIGZSINXBHQV-QUCCMNQESA-N 373.493 3.611 0 1 FHAF CC(C)(C)c1ccc(NC2(C(N)=O)CCN(Cc3ccccc3)CC2)cc1 230566142 IRNRIGYVJDJHIK-UHFFFAOYSA-N 365.521 3.916 0 1 FHAF COc1ccc2c(c1)CC(=O)N2[C@H](C(=O)Nc1c(C)cccc1C)C(C)C 299865143 NJTYPTKUNUSPKJ-NRFANRHFSA-N 366.461 3.864 0 1 FHAF COCc1ccnc(NC(=O)Nc2cccc3c2[C@H]2CCCCN2C3=O)c1 653747409 KHKNDHVTUWWADD-MRXNPFEDSA-N 366.421 3.553 0 1 FHAF CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COC(C)=O 587401278 VQYRXNRKWFRUOR-HXUWFJFHSA-N 369.417 3.746 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ncccc12 587587365 GEYOMQSYQJXUEM-PXNSSMCTSA-N 358.353 3.971 0 1 FHAF COc1nccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c12 587198491 GTBSQOFMAFWGOS-KRWDZBQOSA-N 368.437 3.932 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H](c4ncccc4O)C1)[C@@H](C2)C3=O 587436011 LUNPJZFAMZLUKG-HCQWSFJTSA-N 351.402 3.640 0 1 FHAF COC(=O)c1cccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587081160 WLBXMSDOWGUPQX-CQSZACIVSA-N 368.824 3.727 0 1 FHAF COc1cccc([C@@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587394830 KISPWPPEWIGJIW-JOCHJYFZSA-N 360.413 3.890 0 1 FHAF CCCn1ccnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587755700 PXIFCWINTPFLKH-BONVTDFDSA-N 352.251 3.818 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(F)(F)F)nc1)[C@@H](C2)C3=O 587418122 AVNCRLQJMIHEOK-SJCJKPOMSA-N 365.307 3.520 0 1 FHAF COC(=O)c1ccc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2c1 586915291 CDMVARJFKOISKO-YCRPNKLZSA-N 364.401 3.566 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2CCO)N1 587826071 JUIAXFZBQPGNDY-NDGTYSDOSA-N 356.279 3.890 0 1 FHAF CCOC(=O)[C@@H]1CSCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587538557 PMERBNVHNSBCPG-JXFKEZNVSA-N 360.475 3.586 0 1 FHAF O=c1c(-c2nc3ccc(O)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172733 KRLDBZVFOSTMJK-UHFFFAOYSA-N 353.328 3.864 0 1 FHAF CC[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334578 FNWYKVOXPZQVPJ-CTNGQTDRSA-N 364.376 3.986 0 1 FHAF CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(=O)CC2)cc1 169307759 AJFKRCSRMMDMQZ-UHFFFAOYSA-N 350.422 3.577 0 1 FHAF COCCCOc1cccc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1 963631348 CYBYXLZAQRHOHD-OYHNWAKOSA-N 371.477 3.743 0 1 FHAF CC1CCC2(CC1)SC(NS(=O)(=O)c1ccccc1)=NC2(C)C 1772603785 RIKQWXPFPNMMGX-UHFFFAOYSA-N 352.525 3.795 0 1 FHAF Cc1cccc(C)c1-c1cccc(OCc2cn(CCC(=O)O)nn2)c1 1772640839 CHPDHJZOYRRUOS-UHFFFAOYSA-N 351.406 3.616 0 1 FHAF Fc1ccccc1/C=C1\CNC[C@H]2C1=NC(=S)N[C@@H]2c1ccccc1F 169729968 LYVDCPLEHZTRDA-NARMOILZSA-N 369.440 3.638 0 1 FHAF CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc2ccn(C)c2c1 204834375 WIBWVVHFZXJCOY-UHFFFAOYSA-N 366.852 3.972 0 1 FHAF O=C(N[C@@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@H]1CCC[C@H]2C1 100988459 ZIAMDRHEQRSMSY-DHSIGJKJSA-N 360.885 3.583 0 1 FHAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl 101146960 VJMRSAOJZSLDHY-ONAGUOBHSA-N 357.624 3.781 0 1 FHAF O=S1(=O)Nc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 28376627 STJLVIZIMKQOFN-UHFFFAOYSA-N 363.527 3.741 0 1 FHAF CCN(C)C(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568717 PFOPKKIKKJVVBI-QYASJMCTSA-N 371.521 3.704 0 1 FHAF in-vivo COC(=O)[C@]1(C)CCC[C@]23[C@H]4[C@H](O[C@H]2O)c2occc2[C@H](C)[C@@H]4CC[C@H]31 2356565141 QHXCPQZUMLSNGR-YDOYOEGISA-N 360.450 3.778 0 1 FHAF CC(=CC(=O)O[C@@H]1C[C@@H]2[C@H](C)CN(C)C[C@H]2[C@@H]1C)CCC=C(C)C(=O)O 2356680997 ATLOQCAJYLXOFN-MTHXSQLBSA-N 363.498 3.509 0 1 FHAF OCCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 22937822 WVMPJMHWCBRDFH-CTNGQTDRSA-N 374.887 3.666 0 1 FHAF CC1=C[C@H](CNC(=O)NC2CCCCC2)[C@@H](C(C)C)C[C@H]1CC(=O)O 2356759797 YWADQNBRWLINJE-LZLYRXPVSA-N 350.503 3.948 0 1 FHAF COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2=O)cc1 34055732 YHUOJWACHJLNCJ-HXUWFJFHSA-N 368.385 3.501 0 1 FHAF CCCCC[C@@H](O)CCC[C@H](CCCCCCC(=O)O)S(C)(=O)=O 59381317 JJUSAJSCYGSBSG-SJORKVTESA-N 364.548 3.936 0 1 FHAF Cc1ccccc1C1=N[C@@](C)(CC(=O)Nc2ccc(F)cc2F)ON1C 74374113 IFBCNGWBBZSHCQ-LJQANCHMSA-N 359.376 3.642 0 3 FHAF COc1ccc([C@H]2COc3cc(O)cc(O)c3C2=O)c(CC=C(C)C)c1O 14762910 XRNDVGRKDCQXKX-OAHLLOKOSA-N 370.401 3.680 0 1 FHAF biogenic CN1C/C=C\COCc2cncc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 137320442 QYHOUFKSRXQWPG-IHWYPQMZSA-N 373.460 3.800 0 1 FHAF COCCNC(=O)c1ccc2cc(-c3n[nH]cc3-c3ccccc3)[nH]c2c1 49808373 HGIWVGGROPEMNU-UHFFFAOYSA-N 360.417 3.601 0 1 FHAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC)cc3F)oc2c1 139359937 KJEMQGQAURYRID-NSHDSACASA-N 367.380 3.893 0 1 FHAF COc1ccc2c(/C=C/c3cc(OC)c(OC)c(OC)c3)cc(=O)oc2c1 49088106 VEGKVTYAYALMCK-AATRIKPKSA-N 368.385 3.998 0 1 FHAF O=C(Cc1ccc(Cl)cc1)Nc1nc(C(=O)N2CCCCC2)cs1 40355694 JGOYEQJIKOYXKU-UHFFFAOYSA-N 363.870 3.604 0 1 FHAF CC(C)c1ccc2c(c1)C=C1C(=O)NC(c3ccc(N(C)C)cc3)=N[C@H]1O2 2382218176 HYNWPVUSDNHJPI-QFIPXVFZSA-N 361.445 3.555 0 1 FHAF CCCN(c1cc(OC)c(OC)c(OC)c1)c1n[nH]c2nc(OC)ccc12 2382221484 OMKBGAOZIFWZFT-UHFFFAOYSA-N 372.425 3.540 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCC4CC4)c1)[C@@H](C2)C3=O 587442784 LTNHNOPLAAIPOT-KSFYIVLOSA-N 366.413 3.981 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](CNC(=O)OCc1ccccc1)CC2=O 587468259 CTVISMLIXXYUIM-HNNXBMFYSA-N 369.417 3.605 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn3nccc23)N1 587789622 AEGVZJJVDHJQOL-BMLIUANNSA-N 360.230 3.860 0 1 FHAF N=c1[nH]ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587148456 ALRJSXIWMJAXAH-KRWDZBQOSA-N 352.344 3.817 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCC(=O)O)c1)CC2=O 587476937 BTQAPFUSTZVGNF-OAQYLSRUSA-N 370.401 3.689 0 1 FHAF O=C(O)/C=C\c1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586881266 VEVHWMXTPLGSPO-WAYWQWQTSA-N 368.702 3.742 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CCC(F)(F)F)(C(=O)OCC)CC2=O 587462758 SLMKKYXJBNNCMF-KRWDZBQOSA-N 374.355 3.954 0 1 FHAF CCc1nccnc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587767876 BQDXJEJATJKDRH-BTDLBPIBSA-N 364.262 3.738 0 1 FHAF C=C(C(=O)O)c1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O 587945819 QNLMENMDEDXOAK-UHFFFAOYSA-N 357.312 3.932 0 1 FHAF C[C@@H](c1nc2c(N)ccnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128171 HBTUQCQSBGJFBI-BYPYZUCNSA-N 362.718 3.875 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C=O)c1Br)O2 587377324 MHZYQIHDHIYCQP-OAHLLOKOSA-N 360.207 3.859 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nccn12 587586896 LLQGCGWELGLIEL-WIYYLYMNSA-N 358.353 3.743 0 1 FHAF COc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1F 587123536 IXAFOXAILOVHLD-WPPNPWJKSA-N 369.322 3.882 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(N(C)C)CC2)N1 587759037 ZXKNMFMRIYOWDZ-FFLHNBHYSA-N 355.295 3.822 0 1 FHAF O=C(O)c1cccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587126992 JQINFSSGQGQDFQ-UHFFFAOYSA-N 362.267 3.703 0 1 FHAF CCOC(=O)[C@]1([C@@H]2CCCCCC2=O)c2ccc(F)cc2C[C@@H]2CCCN21 963102604 NBOCYQNWWRCDSI-LRXVAGHRSA-N 373.468 3.754 0 1 FHAF CC(=O)C[C@@]1(c2ccncc2)c2ccsc2CCN1Cc1cccn1C 962397035 IZZODHGNWRTVIH-OAQYLSRUSA-N 365.502 3.763 0 1 FHAF CCOC(=O)C1=C(C)OC(C)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1 13536919 AVPNLAMVZBVGHX-MRXNPFEDSA-N 350.798 3.738 0 1 FHAF CON1CC/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O 13558287 MHINOFOCSWUZJK-UVTDQMKNSA-N 367.511 3.925 0 1 FHAF O=C1NC(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 13680103 WFKJYCAFDGXXRO-CYBMUJFWSA-N 365.614 3.900 0 1 FHAF Fc1cccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c12 13801506 HJYWTDXNFXEEQD-UHFFFAOYSA-N 360.436 3.949 0 1 FHAF CCSc1nc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@H]4C3=O)cc2s1 150264660 RYRKPJPYEFPGCM-IDMWTJEOSA-N 356.472 3.720 0 1 FHAF CC(C)c1cccc(NC(=O)c2cccc(N3Cc4cnc(N)nc4C3)c2)c1 169710081 WZBZLOZBQAAWKB-UHFFFAOYSA-N 373.460 3.955 0 1 FHAF O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(C(F)(F)F)c2s1 167705982 SWHCZXSYRFCFJJ-ZDUSSCGKSA-N 354.397 3.744 0 1 FHAF Oc1cc(C2CCNCC2)n2nc3ccc(F)c(-c4ccccc4)c3c2n1 1857589757 NORWSQPVXYFCFO-UHFFFAOYSA-N 362.408 3.861 0 1 FHAF O=C(O)[C@@H]1CCCN(CCO/N=C/C(c2ccccc2)c2ccccc2)C1 147051052 VNIZHIWMLNGQBA-OGTCDWKQSA-N 366.461 3.618 0 1 FHAF COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1 3896470 LNGVHURTLGYDTH-UHFFFAOYSA-N 360.373 3.877 0 3 FHAF COC(=O)C1=CC[C@@]2(C[C@@H]1O)[C@H]([C@@H](C)CCC(=O)C(C)C)CC[C@H]2C 2356395878 WLOJMVRFMHXVIR-RWTSRCFDSA-N 350.499 3.914 0 1 FHAF Cc1oc(-c2ccccc2F)nc1CSc1nc2c(c(=O)[nH]1)CCC2 4953159 XDRZXPQUCZFTKH-UHFFFAOYSA-N 357.410 3.653 0 1 FHAF CCNCCCOc1ccc2c(c1)CN(C)C[C@H]2c1ccc(OC)cc1 28818085 RBJDHCDYYMNJHT-QFIPXVFZSA-N 354.494 3.651 0 1 FHAF CC(C)c1ccc(COCc2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 26653068 BZFLDVZGFCBHLQ-UHFFFAOYSA-N 370.445 3.782 0 1 FHAF CCC(=O)OCc1c2c(c(OC(=O)CC)c3occ(C)c13)C[C@H](O)C[C@@H]2C 13300462 XVMJURDWENMOTK-WCQYABFASA-N 374.433 3.920 0 1 FHAF biogenic Cc1nn(-c2ccccc2)c2ncc3c(c12)C(=O)N(c1ccccc1)C3=O 45391476 ITAIMTHICXPPEJ-UHFFFAOYSA-N 354.369 3.530 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H](C)C(C)C 222370252 OLQLOEJZYFROOC-GFCCVEGCSA-N 363.465 3.676 0 1 FHAF CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(CO)cc3)n2n1 40425262 KAFYZZHWPHLPIW-UHFFFAOYSA-N 362.408 3.664 0 1 FHAF CCCCCNc1ncnc2c1nc(-c1cccnc1)n2C[C@H]1CCCO1 82186412 AOFYYPGFQGRWBW-MRXNPFEDSA-N 366.469 3.669 0 1 FHAF O[C@@H](COc1cccc2[nH]c3ccccc3c12)CN1CCOc2ccccc21 96939720 NTPSBNSBIYHJQI-MRXNPFEDSA-N 374.440 3.960 0 1 FHAF O=C(Nc1nc2cc(Cl)ccc2s1)[C@@H]1CCCN1C1CCOCC1 147457868 NCBQVQQRBMBXHL-AWEZNQCLSA-N 365.886 3.532 0 1 FHAF COc1ccc(-c2ccc3c(c2)SC(=N)N2CCCN=C32)cc1OC 95572553 GTIPJBSTKKHPSM-UHFFFAOYSA-N 353.447 3.864 0 1 FHAF COc1ccc(-c2nnc3ccc(-c4cccc(CN)c4)cn23)cc1OC 2382220685 BQWGNXUXUICNNA-UHFFFAOYSA-N 360.417 3.539 0 1 FHAF COc1ccc2c(C)c(CCc3nc4ccc(O)cc4[nH]3)c(=O)oc2c1C 586919148 VXPBUXPOQZHWIW-UHFFFAOYSA-N 364.401 3.786 0 1 FHAF COc1cc2c3c(c1)O[C@H](CCc1cc(F)c(OC)c(F)c1)[C@@H](C2)C3=O 587424674 RSLQZYHQNVKMJT-CZUORRHYSA-N 360.356 3.731 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N(C)C)s2)N1 587852720 HURMPAGSTPXVQH-RTHLEPHNSA-N 370.291 3.734 0 1 FHAF O=C1CC2(CCN(C(=O)c3ccoc3)CC2)Oc2c1ccc1c2CCCC1 587513625 JXYJZKYWSMTEKZ-UHFFFAOYSA-N 365.429 3.799 0 1 FHAF Cc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1C 587036967 BXAOALTXWAPASU-LBPRGKRZSA-N 367.478 3.927 0 1 FHAF Cc1nc(N(C)C)ncc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587195430 VELZKYOCUWXZLT-UHFFFAOYSA-N 357.417 3.625 0 1 FHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(F)c(F)c2[nH]1 586974929 YHYZFBFAUQXILN-OAHLLOKOSA-N 361.417 3.952 0 1 FHAF Cc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1C 587036966 BXAOALTXWAPASU-GFCCVEGCSA-N 367.478 3.927 0 1 FHAF Cc1ccc(NC(=O)CSCCc2nc3cncc(Cl)c3[nH]2)cc1 586970634 NGKYYGGEMUXIQC-UHFFFAOYSA-N 360.870 3.834 0 1 FHAF FC(F)(F)c1nc(Cl)[nH]c2nc(C[C@@H]3OCCc4ccsc43)nc1-2 587034333 DXMMJFMCEYOBRP-ZETCQYMHSA-N 374.775 3.895 0 1 FHAF Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1C 587276888 TYWCJFLJOQQYSI-UHFFFAOYSA-N 360.207 3.930 0 1 FHAF COc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587768505 DEWHESKCNMLEMR-DYZYQPBXSA-N 365.246 3.924 0 1 FHAF COC(=O)[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809965 SKXLSSYSAWOWKU-QFYYESIMSA-N 358.251 3.537 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CO)cc2)N1 587825131 FXNCVHKRQXTOLJ-BTDLBPIBSA-N 350.231 3.704 0 1 FHAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1N 587750250 SGJLZMLROIZSER-XYZCENFISA-N 365.246 3.803 0 1 FHAF COc1ccccc1CC(=O)c1nc2c(Br)cc(F)cc2[nH]1 587928975 FKVMIHWKFRWALV-UHFFFAOYSA-N 363.186 3.899 0 1 FHAF CCOc1ccc(-c2nn(C(=O)CC)c(=O)c3ccccc23)cc1OCC 587671154 KRAKGJAAECPKBW-UHFFFAOYSA-N 366.417 3.911 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](CNC(=O)OCc1ccccc1)CC2=O 587468260 CTVISMLIXXYUIM-OAHLLOKOSA-N 369.417 3.605 0 1 FHAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cncc(F)c3)nc2c1 587176856 GUHWXQSZLBPVCF-UHFFFAOYSA-N 364.174 3.703 0 1 FHAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c(OC)n1 587518478 JDXFVYLZGCSELJ-KRWDZBQOSA-N 369.417 3.693 0 1 FHAF CC[C@]1(c2c[nH]c(C(=O)NC)c2)c2ccsc2CCN1Cc1ccco1 962703852 HGXHMOLGYWEXDZ-FQEVSTJZSA-N 369.490 3.741 0 1 FHAF COc1ccc2c(c1OC)[C@]1(CCCc3ccc(CN)cc31)N(C)[C@@H](C)C2 962565528 HQAMSWKXIGWPHL-NPMXOYFQSA-N 366.505 3.619 0 1 FHAF Cc1ccc(C(=O)c2conc2C(=O)c2cnn(-c3ccccc3)c2C)cc1 1772609516 QBPKDGARPQNUMX-UHFFFAOYSA-N 371.396 3.939 0 1 FHAF O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cccc3c2OCC3)CC1 13471810 SXTSCSDLHDMAOP-NHCUHLMSSA-N 353.437 3.598 0 1 FHAF C[C@@H](CN1CCOCC1)n1cc(C(=O)c2ccccc2F)c2ccccc21 13820960 YXWSEKFRRDMPBM-INIZCTEOSA-N 366.436 3.905 0 1 FHAF O=C(CSc1nccc(O)n1)N1c2ccccc2CCc2ccccc21 17838135 XWHDNJVTDNHVTQ-UHFFFAOYSA-N 363.442 3.738 0 3 FHAF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C5=NCCO5)CC[C@@H]4[C@@H]3CC[C@@H]12 169324047 MCQUWTXHJRSZGA-XTJUHGGMSA-N 358.526 3.895 0 1 FHAF COc1cc(-c2cn3c(-c4cccc(C(C)=O)c4)cnc3cn2)ccc1O 1857595226 RDMLBWZIBUYAOA-UHFFFAOYSA-N 359.385 3.980 0 1 FHAF O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccoc1 775018 BOLCNJCOINVUHF-CVEARBPZSA-N 370.380 3.774 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@H](C1CCN(Cc3ccccc3)CC1)C2 2525906 YWMHQUPMHZCBLZ-IBGZPJMESA-N 365.473 3.971 0 1 FHAF CCOCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccc(F)c(F)c1 2926507 VWIISBIXQBYXDW-UHFFFAOYSA-N 373.403 3.769 0 1 FHAF COc1ccc([C@H]2CC[C@H](N3CCN(c4ccccn4)CC3)CC2)cc1 100085675 PQGLTWUOVHNAGW-PUZFROQSSA-N 351.494 3.939 0 1 FHAF CCC1=CC[C@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@]42CN(C)C1 101578700 ONAGOPFNNJDPCW-XIQGKOAISA-N 371.521 3.928 0 1 FHAF COc1ccc(CN2C[C@H]3CC[C@H](OC)[C@@H]2CN3Cc2ccccc2)cc1 28825436 POPWLHRAAOBVED-PUHATCMVSA-N 366.505 3.559 0 1 FHAF CC(C)c1nc2c(Nc3ccc(Cl)cc3)nc(NCCCN)nc2[nH]1 26729809 KCUOJCMDBOIBGL-UHFFFAOYSA-N 359.865 3.634 0 1 FHAF CC[C@@H]1O[C@H](c2ccccc2)O[C@]1(C)[C@@H](O)[C@H](C)COC(=O)C(C)(C)C 2356696793 RSHFRKZYSDAHHN-CCQZOOGLSA-N 364.482 3.856 0 1 FHAF CO[C@@H]1c2ccc3occc3c2O[C@]1(Cc1ccc2c(c1)OCO2)OC 13384136 UJWUVLDBYXPHQN-UXHICEINSA-N 354.358 3.827 0 1 FHAF biogenic c1cc(OC[C@@H]2CN(C3CCCC3)CCO2)ccc1CN1CCCCC1 40429070 XXHIGGQEZHTJEU-QFIPXVFZSA-N 358.526 3.695 0 1 FHAF COc1ccc(C(=O)Nc2ccccc2-c2nc3ncccc3[nH]2)cc1OC 40412290 OYANJGYHTCPKQL-UHFFFAOYSA-N 374.400 3.894 0 1 FHAF CC(C)(C)NC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 141710872 TXALEHOJALGFSM-UHFFFAOYSA-N 360.421 3.543 0 1 FHAF Cc1ccnc(N(C)C(=O)c2ccc(N3CCc4ccccc4C3)nc2)c1 95590280 SUOUEBRKELRAEM-UHFFFAOYSA-N 358.445 3.624 0 1 FHAF Cc1ccncc1N1CCN(c2ccc3c(C(F)(F)F)n[nH]c3c2)C1=O 147598205 GGNNSFBMCVXUPG-UHFFFAOYSA-N 361.327 3.732 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccn4)ncc23)ccn1 261101968 GNPIWTNLAMMZNP-CYBMUJFWSA-N 373.420 3.606 0 1 FHAF Cc1ncn(-c2ccc3c(c2)CCc2cn(Cc4ccccc4)nc2N3)n1 653710246 FRJIVXAVDLNZRE-UHFFFAOYSA-N 356.433 3.663 0 1 FHAF CCCCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587401640 UWYBUKKPQRIUOU-OAQYLSRUSA-N 350.418 3.585 0 1 FHAF CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587398684 GHEIRQXXQOLUNN-ZJTDPSCFSA-N 359.466 3.917 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)c(O)c2)N1 587747264 KZTXJOHKRUJCPK-VVVCHXIZSA-N 365.246 3.674 0 1 FHAF COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)cc(C)c3[nH]2)cc1 586921101 XQRPNLHOPFLKNU-UHFFFAOYSA-N 350.827 3.507 0 1 FHAF CC(C)CCOC(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587796975 UTDXCHLXSKOVES-PIGZYNQJSA-N 372.278 3.927 0 1 FHAF CC[C@]1([C@@H](C)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350913 LVAWJQQTZWWAOE-VXOKYEDTSA-N 372.392 3.848 0 1 FHAF C[C@@]1(c2ccccc2[C@H](O)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587533982 TWEXBIHYRSFWPV-UGKGYDQZSA-N 366.413 3.564 0 1 FHAF Cc1ccnn1C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587760308 PAPBHYCFHHTUHO-MGPLVRAMSA-N 352.251 3.543 0 1 FHAF O=C(c1ccccc1OC(F)(F)F)n1ncc2ccc(Cl)cc2c1=O 587651244 FOBXNYZJDBWYGL-UHFFFAOYSA-N 368.698 3.637 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3cncn3)cc1)CC2=O 587480870 WQVHJVPBBKVCJO-NRFANRHFSA-N 363.417 3.806 0 1 FHAF Nc1cccc(C(=O)O)c1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587248327 NDCSTKAJGQQMRI-UHFFFAOYSA-N 368.137 3.551 0 1 FHAF COc1cc(CC(=O)O)ccc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963116252 WDQLLKJJZPNYNX-HRAATJIYSA-N 355.409 3.571 0 1 FHAF CCC[C@]1(C(=O)O)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961773140 DMQIZFJPVATQDN-OAQYLSRUSA-N 374.481 3.918 0 1 FHAF Cc1sc2c(c1C)CCN[C@@]21[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]1[C@H]3C2 963018504 GHEFRCNGLVXGCW-NYVDJMTNSA-N 374.550 3.981 0 1 FHAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cn([C@@H]3CCOC3)c3ccc(F)cc13)C2 1772571350 QPPQWJFQMGBQRR-HRCADAONSA-N 372.440 3.524 0 1 FHAF O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 13672082 ZUEKHVLHKBLSKT-UHFFFAOYSA-N 367.412 3.646 0 1 FHAF O=C(O)[C@@H]1CCCN(CCCOC(c2ccccc2)c2ccccc2)C1 13729366 ZNCLTXBNNJSPBY-HXUWFJFHSA-N 353.462 3.979 0 1 FHAF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C[C@@]12O 14615432 AFPPVJHFFGBKOB-AGRNFKIVSA-N 372.461 3.695 0 1 FHAF endogenous,in-man CC(C)=CC[C@]12C[C@@H]3C(=O)O[C@H](CC(C)C)C(=O)N3[C@H]1Nc1ccccc12 257605769 WLPAAGQHCJNVMM-MCEIDBOGSA-N 368.477 3.605 0 1 FHAF O=C(O)c1ccc(CN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1 103212731 HNQBUPQQFPDDJU-DHDCSXOGSA-N 357.362 3.760 0 1 FHAF COc1cccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)c1OC 103539016 UALMEWUHQFMSFS-HNNXBMFYSA-N 372.450 3.689 0 1 FHAF CCC[C@H](C)Nc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](O)CC2)n1 103242195 GJZCXJLZZFATOM-HRCADAONSA-N 355.486 3.855 0 1 FHAF CC(C)C[C@H](NC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12)C(=O)O 103229309 JJQZLGHDHPDOEO-OMYXNUHHSA-N 363.457 3.899 0 1 FHAF CCOC(=O)c1[nH]nc2c1C[C@@H]1[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C 28528207 WMQJMIBEOIXGLX-IBOUEWTGSA-N 366.461 3.862 0 1 FHAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@H](c1cccs1)O3 28867405 CXHHCQLUBFXRTN-OAHLLOKOSA-N 355.463 3.781 0 1 FHAF C/C(=C\[C@@](C)(O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(C)C 27893363 AMBDIWVYPNQJPH-OMEOIVSISA-N 368.558 3.995 0 1 FHAF COC(=O)[C@H]1[C@@H](OC(c2ccccc2)c2ccccc2)C[C@@H]2CC[C@H]1N2C 27205766 JHZOGWJGKSOSOG-JSXRDJHFSA-N 365.473 3.817 0 1 FHAF COC(=O)[C@H](C)NC(=O)CCCCCCCC=CCCCCCCO 2356335326 XWFACHYZFVZDPE-SFHVURJKSA-N 355.519 3.894 0 1 FHAF OC[C@@H]1CC[C@@H](n2cnc3c(NC4CCCCCC4)cc(Cl)nc32)O1 27318079 GXUKERFUHADYJZ-BBRMVZONSA-N 364.877 3.889 0 1 FHAF CSCC[C@H](C(=O)N(C)C[C@H]1CCCN2CCCC[C@@H]12)n1cccc1 2356721119 UYJSQYYIKGZWCA-CEXWTWQISA-N 363.571 3.505 0 1 FHAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccccc2)O3)cc1 61895922 BJKWDQZRUJNOIV-HXUWFJFHSA-N 373.412 3.649 0 3 FHAF CC1(C)CCC(C)(C)c2nc(C(=O)Nc3cccc(C(=O)O)c3)cnc21 26828725 RQTGVHKCYNMLHD-UHFFFAOYSA-N 353.422 3.776 0 1 FHAF c1ccc2c(-c3nc4cc(OCCCN5CCCC5)ccc4[nH]3)[nH]nc2c1 36176871 GFMYTWVSAZEZRD-UHFFFAOYSA-N 361.449 3.971 0 1 FHAF Cc1ccc(CN2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)s1 72429384 VHKUZEPAHFRIHD-KRWDZBQOSA-N 373.570 3.551 0 1 FHAF COc1cc2ncnc(N3CCO[C@@H](c4ccc(C)cc4)C3)c2cc1OC 43193793 MKZPZJHRWMNYJL-HXUWFJFHSA-N 365.433 3.533 0 1 FHAF Cc1cccc2cc([C@H](C)Nc3cc(N)nc(Cl)n3)n(C3CC3)c(=O)c12 88345609 UUELZCFCUBQVLU-NSHDSACASA-N 369.856 3.844 0 1 FHAF Cc1cccnc1-n1cc(CN2CCC3(CC2)OCc2ccccc23)c(C)n1 40394832 SLRRKIAIUARVQX-UHFFFAOYSA-N 374.488 3.906 0 1 FHAF CN(C)Cc1nc(-c2cccc(C(C)(C)C)c2)n(-c2cccc(O)c2)n1 45387588 KCSVGZNJLCJIMI-UHFFFAOYSA-N 350.466 3.999 0 1 FHAF O=C(Nc1cncc(Oc2cncc(F)c2)n1)c1ccc(F)c(Cl)c1 299827304 XEWIZXSZKZZTPQ-UHFFFAOYSA-N 362.723 3.848 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3occ(C(=O)O)c31)CC2=O 587487196 YZPZLWWTLYGEIK-FQEVSTJZSA-N 356.374 3.833 0 1 FHAF Oc1ccc(C2(c3nc4ccc(Br)nc4[nH]3)CCOCC2)cc1 586913032 KRCNJGWGDSBQBU-UHFFFAOYSA-N 374.238 3.523 0 1 FHAF CC[C@]1(c2cnccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587776574 YBTXAMXNLAHKHJ-QFYYESIMSA-N 350.235 3.566 0 1 FHAF COC(=O)c1cc(-n2c(O)c(C)c(C)c2O)c(Cl)cc1Br 587937116 OLIZNTSGWFHYPN-UHFFFAOYSA-N 374.618 3.708 0 1 FHAF CCOC(=O)c1ccc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2c1 587788083 VEVJQKVMXKRJLO-UHFFFAOYSA-N 366.417 3.872 0 1 FHAF CCOC(OCC)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439137 JOQKJOXFQSOGJJ-VGSWGCGISA-N 368.429 3.737 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c3c(c1)OCCO3)CC2=O 587494142 XIFCEKALIBTXRK-QGZVFWFLSA-N 370.401 3.831 0 1 FHAF O=C(c1ncccc1Br)n1nc2cc1Oc1ccc(F)cc1-2 587873136 VEBIKHBNCXLNRB-UHFFFAOYSA-N 360.142 3.641 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnccc2N(C)C)N1 587751955 CFJFGQYNNIJFMJ-BMLIUANNSA-N 364.262 3.673 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(C)cc1C)[C@@H](C2)C3=O 587433975 YJNLPRGVHNGISI-KSFYIVLOSA-N 365.429 3.847 0 1 FHAF C[C@]1(c2cc(C(=O)O)co2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616695 LZYGXUMASXNVEH-OXQOHEQNSA-N 366.325 3.560 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn3ccccc23)N1 587794454 MRKJZFANUSGWKC-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCc4c1ccc(OC)c4OC)[C@@H](C2)C3=O 587443786 RSOQZOVXVVKEAV-AOMKIAJQSA-N 366.413 3.692 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2CCO 587609675 OVEQNODENBNVIO-YMTYPPQLSA-N 354.402 3.665 0 1 FHAF C[C@@]1(c2ccnnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348791 SGXMFBLFKHQQHW-QUCCMNQESA-N 350.349 3.596 0 1 FHAF Sc1nc(S)c2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2n1 587022479 ZNDMUNCVCRQMRK-UHFFFAOYSA-N 357.489 3.645 0 1 FHAF C[C@]1(Cn2nc(Cl)nc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499017 KGPPPXSHRRHJNL-QGZVFWFLSA-N 366.248 3.888 0 1 FHAF CN1CCC[C@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 587342715 GTNQFCAJFQJZBS-LVWPNOBMSA-N 369.436 3.991 0 1 FHAF COCCn1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587513997 CYOJORTXIZJBNO-JOCHJYFZSA-N 368.477 3.906 0 1 FHAF C/C=C/C[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1CC(=O)OC 587401878 ZNGWYHYXMKVTIF-IJLLKPJASA-N 357.450 3.837 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@]1(CCCC[C@H]1C(=O)C(C)(C)C)NCC2 962931581 OMBZEMQWALMPLN-HTAPYJJXSA-N 356.510 3.535 0 1 FHAF CCN1CCc2ccc([C@H]3NCCc4cc5cccc(OC)c5nc43)cc21 963064910 HNKZNRSZDLQLPL-JOCHJYFZSA-N 359.473 3.861 0 1 FHAF Cc1noc(C)c1COc1ccccc1[C@H]1NCCc2nc3ccccn3c21 962986303 SBULDKGDYOVQSR-OAQYLSRUSA-N 374.444 3.753 0 1 FHAF CC[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2c(OC)ccc(OC)c21 963636065 ONYWHWFEDSSRCN-ASSNKEHSSA-N 355.434 3.620 0 1 FHAF COc1ccc(CNc2nc(N)c3nc(-c4ccco4)sc3n2)cc1 1772580913 SRYURLBYUDXQGJ-UHFFFAOYSA-N 353.407 3.549 0 1 FHAF O=C1c2ccccc2CCCN1CCN1CCC(Oc2ccccc2)CC1 13488304 MNVGCGWAAOGMBS-UHFFFAOYSA-N 364.489 3.618 0 1 FHAF COc1ccc(Nc2nccc(-c3sc(OC)nc3C)n2)c(OC)c1 1857630363 ZWQUTEDRVFBXLQ-UHFFFAOYSA-N 358.423 3.678 0 1 FHAF CC1(C)CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857639617 SISNHKBHMNPCGS-HNNXBMFYSA-N 372.415 3.692 0 1 FHAF Cn1cc2c(=O)n(-c3ccccc3)c(SCc3cccc(F)c3)nc2n1 1857760946 KRGMJXZAGVADCD-UHFFFAOYSA-N 366.421 3.551 0 1 FHAF COc1ccc2c(c1)cc1n2CCN2C(=O)c3cc(Cl)ccc3N(C)[C@@H]12 221935335 GWQKTVSMBDSRMC-LJQANCHMSA-N 367.836 3.908 0 1 FHAF CCOC(=O)c1s/c(=N\c2ccc(C)cc2)n(-c2ccccc2)c1N 103198348 NEMAZGZFKYIJGZ-VZCXRCSSSA-N 353.447 3.839 0 1 FHAF COc1ccc(Cn2cnc3c(-c4ccco4)nc(OC(C)C)nc32)cc1 28877788 PVNYJCVJPQPUSX-UHFFFAOYSA-N 364.405 3.930 0 1 FHAF COc1cc([C@@H]2CN=C(c3cccc4[nH]ccc34)O2)cc(OC)c1OC 27523220 LIYRJBDUMLBJDC-SFHVURJKSA-N 352.390 3.712 0 1 FHAF Cc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 29238629 DGBNKGQXRBETEF-UHFFFAOYSA-N 353.325 3.564 0 1 FHAF Cc1ccn2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c12 28900990 XWOBYUGXRJUXJF-UHFFFAOYSA-N 355.405 3.574 0 1 FHAF C[C@@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)c1cccc(F)c1 61902453 WHPFRHPMNMIEGM-QFIPXVFZSA-N 366.436 3.948 0 3 FHAF CN1CCC(Sc2c[nH]c3ccc(I)cc23)CC1 27893272 RGZFFPRBOUFOHD-UHFFFAOYSA-N 372.275 3.959 0 1 FHAF COc1ccc([C@H]2Oc3c(OC)cc(C=CCO)cc3[C@@H]2C)cc1OC 2356690026 JRYJEMVPVZEOPW-RBZFPXEDSA-N 356.418 3.955 0 1 FHAF CN[S@](=O)(=NC(=O)N(C)c1ccc(Cl)cc1)c1ccc(C)cc1 25979372 GQUMHASVSNEMNA-QHCPKHFHSA-N 351.859 3.866 0 1 FHAF COc1cc(C)c2[nH]ccc2c1[C@@](C)(OC)c1nc2ncc(C#N)cc2[nH]1 219913881 HOGBCBSOBAACQQ-HXUWFJFHSA-N 361.405 3.538 0 1 FHAF CCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C(C)C 38932964 JIPCPCOVWLXHPR-UHFFFAOYSA-N 369.446 3.861 0 1 FHAF CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(Br)cc1 38841170 HEPMRJAEEJWANC-AWEZNQCLSA-N 353.260 3.569 0 1 FHAF COc1cc2c(cc1OC)C([C@@H](C)c1ccc(OC)c(OC)c1O)=NCC2 1911579542 MRIXQJHQZAJICE-LBPRGKRZSA-N 371.433 3.576 0 1 FHAF Fc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccn1 139820170 RMZVOTSVJTWFRV-UHFFFAOYSA-N 357.392 3.830 0 1 FHAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)S1 45390008 JGTAQUSHHUASQK-LLVKDONJSA-N 368.336 3.787 0 1 FHAF CC1(C)CCN(C(=O)c2ccc(C3CC3)c(OC[C@@H]3CCCO3)n2)CC1 146256372 HUQMYKIOYJNAAO-INIZCTEOSA-N 358.482 3.779 0 1 FHAF NC(=O)O[C@H](CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 95572066 WBSQSZXEXGMKDF-LJQANCHMSA-N 373.884 3.689 0 1 FHAF C[C@H](C(=O)O)[C@@]1(CCc2ccoc2)O[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C 238786108 ILDYTTOXFAJMBX-UCBGIHAFSA-N 350.455 3.853 0 1 FHAF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)nc1 96172884 CDJOVDWZNUBJGV-OAHLLOKOSA-N 354.450 3.831 0 1 FHAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(C(F)(F)F)cc1 253697833 DDASMJFFKOSRQN-RYDMAMILSA-N 351.368 3.745 0 1 FHAF CN(C)C(=O)c1ccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2c1 587241656 GLTMUZLEGWPMPT-UHFFFAOYSA-N 364.449 3.916 0 1 FHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(F)cc(F)n1 587659256 ZTENMYBLMFTYKG-UHFFFAOYSA-N 353.303 3.865 0 1 FHAF COc1ccncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587771269 BTVGCPOBJZKKIR-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF COC(=O)CC[C@@]1(C)CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587445458 ZHDTZAPFICBIDS-LPTQZCDUSA-N 358.434 3.715 0 1 FHAF Cc1ccc([C@]2(CO)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587827737 QIUBNFDQTUGPMF-SGTLLEGYSA-N 364.258 3.667 0 1 FHAF COC(=O)c1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cn1 587076691 ZJSZTXMBVHDZMB-UHFFFAOYSA-N 367.796 3.559 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc[nH]c2=N)N1 587697467 WGPGIKQVRLATBT-WJWGPLDTSA-N 370.653 3.673 0 1 FHAF Nc1cc(-c2nc3cccc(I)c3[nH]2)ccc1F 587139247 DQPGTJIPWHEGCA-UHFFFAOYSA-N 353.138 3.556 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc3[nH]ncc13)O2 587374077 WZZKEXZVDAINIO-INIZCTEOSA-N 372.222 3.923 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccnc2Cl)N1 587701120 AGCJLKJEHLANBW-KRTXAFLBSA-N 356.626 3.655 0 1 FHAF CC(C)OC(=O)C1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CC(F)(F)C1 587130025 CKNLLNUSJIUOTN-UHFFFAOYSA-N 364.179 3.883 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(N)cccc21 587392479 ZWSIYHDMHDYRAE-QHCPKHFHSA-N 370.408 3.613 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nccc2cc[nH]c12 587587123 FSRRWHWJFFBAJC-KKSFZXQISA-N 358.353 3.971 0 1 FHAF COc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)c(Cl)n1 587083709 HJXGUXILNLHBIW-UHFFFAOYSA-N 357.570 3.584 0 1 FHAF C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587516232 AVJNCXLTPVXLTH-WLENULPWSA-N 369.505 3.790 0 1 FHAF Nc1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1CC(=O)O 587249307 GGPDXHZOTSLPSV-UHFFFAOYSA-N 353.275 3.597 0 1 FHAF CC(C)N(C)CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573945 VIDVUIGICFVZEN-NQIIRXRSSA-N 355.434 3.843 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2ccc(Cl)nc2[nH]1)C[C@@H]1CCCO1 587196678 ASILCISBDBCPMB-NSHDSACASA-N 366.849 3.527 0 1 FHAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587061170 BVOIFXVZCAWJRA-CQSZACIVSA-N 366.826 3.993 0 1 FHAF Cc1[nH]c2cccc(F)c2c1-n1ncc(I)c1C 587634841 TVMXBSLUTDJNEX-UHFFFAOYSA-N 355.154 3.714 0 1 FHAF O=C(CSc1nc2ccccc2o1)n1ncc2ccc(Cl)cc2c1=O 587653685 DKRYLIPGBDJANU-UHFFFAOYSA-N 371.805 3.624 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1ccc(C(N)=O)s1 962372570 IWDGUOPFSSLMRM-IBGZPJMESA-N 371.531 3.569 0 1 FHAF COCCCOc1cc([C@@H]2NCCc3cc(C)c(F)cc32)ccc1OC 962295106 CIWXCCQFHGIDBT-NRFANRHFSA-N 359.441 3.793 0 1 FHAF O=C1NCc2c1c1c(c3c2c2ccccc2n3CCCO)Cc2ccccc2-1 13530059 FPSOEDNEPFYWGP-UHFFFAOYSA-N 368.436 3.992 0 1 FHAF CCCNC(=O)c1c(NC(=O)c2ccc(CC)cc2)nc2ccc(C)cn12 1857584227 RNWZIIWTZNFLAK-UHFFFAOYSA-N 364.449 3.597 0 1 FHAF Cc1cc(=O)oc2cc(OCc3cn(-c4ccc(F)cc4F)nn3)ccc12 1857748337 WAJGFJVGVBSCQB-UHFFFAOYSA-N 369.327 3.539 0 1 FHAF C[C@@H](NC(=O)N1C(=O)C[C@H]1SCCc1ccccc1)c1ccccc1 6494406 GBRXDJXBNYEGBU-DNVCBOLYSA-N 354.475 3.992 0 1 FHAF COc1ccc2c(c1O)[C@@]13CCN(CC4CC4)[C@H](C2)[C@H]1[C@@H](C)[C@H](C)C(=O)C3 101794098 KLDLDBNUSYRDQT-RRMPNWMZSA-N 369.505 3.540 0 1 FHAF COC(=O)[C@H](CCO)CC[C@@H]1C(C)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 2356463271 VTXPISKEMQUXGD-JUZZZCAGSA-N 352.515 3.708 0 1 FHAF COCCn1cc2c(n1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2 28526854 YSZGTYAHCXJWGC-HIUFNZKISA-N 352.478 3.805 0 1 FHAF O=C(CC1(n2cccc2)CCCCC1)NC[C@H]1CCCN2CCCC[C@H]12 2356762150 CQIGFXDJZDAVDJ-WOJBJXKFSA-N 357.542 3.918 0 1 FHAF COc1cc([C@@H]2CNC[C@@H](c3c[nH]c4ccccc34)O2)cc(OC)c1OC 13385560 APYCBBUCRVHTDX-PMACEKPBSA-N 368.433 3.596 0 1 FHAF biogenic CS(=O)(=O)c1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1 34634876 UQDVBDDGYONDNT-MDWZMJQESA-N 358.390 3.642 0 1 FHAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC(c5ccn[nH]5)CC4)c23)c1 210758984 FUQOJXSIFZAUKX-UHFFFAOYSA-N 369.432 3.604 0 1 FHAF COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4[nH]3)c2)c(OC)c1 40938787 OAMYCCHFQZGCOI-UHFFFAOYSA-N 374.400 3.894 0 1 FHAF O=C([C@@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1)N1CC(F)(F)C1 1911582385 DPRNDLLZDLOXQN-SECBINFHSA-N 368.733 3.663 0 1 FHAF Cc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)c(O)nc(=O)n1C 261084068 CFKKXELVBCUSNV-UHFFFAOYSA-N 371.824 3.919 0 1 FHAF O=C(NCc1ccc(Cl)cc1Cl)c1ccc(NC[C@H]2CO2)cc1 621478514 WUAKCIXWTJXEJW-HNNXBMFYSA-N 351.233 3.734 0 1 FHAF OB1OCc2ccc([C@@H](O)c3ccc(SCC4CCCCC4)cc3)cc21 2382219720 ZJIVVNSVPZMQMT-NRFANRHFSA-N 368.307 3.658 0 1 FHAF CSc1nccc(N2CCC(N(C)Cc3cccc(Cl)c3)CC2)n1 299861990 MIHMDFMLRGLFMV-UHFFFAOYSA-N 362.930 3.953 0 1 FHAF Oc1nc(O)c2ccc(-c3cnc(-c4ccc(Cl)cc4)s3)nc2n1 587563444 HLSPQHCGRNUSKV-UHFFFAOYSA-N 356.794 3.880 0 1 FHAF COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(C)c1C 587511178 FEUPCPHWKKOLNE-LJQANCHMSA-N 353.418 3.705 0 1 FHAF Cc1ccc([C@@]2(CO)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587827735 QIUBNFDQTUGPMF-KPZWWZAWSA-N 364.258 3.667 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(CCNC(=O)OC(C)(C)C)CC2=O 587470044 LDRQXWQAZOYRAH-HXUWFJFHSA-N 363.454 3.983 0 1 FHAF C[C@@H]1CN(C2CC2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350456 ZJKJUGDWGCWFDC-XOJPMGEXSA-N 367.420 3.743 0 1 FHAF O[C@H](c1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 586996224 BOVKFZHLTDNTDU-GFCCVEGCSA-N 372.144 3.821 0 1 FHAF Brc1cc(/C=C\c2nc3cccnc3[nH]2)cc2c1OCCO2 587000191 GXBPSKLJAZGUAD-ARJAWSKDSA-N 358.195 3.662 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(F)cc1O)O2 587382619 SPRLMVHMNFXUMF-OAHLLOKOSA-N 366.186 3.891 0 1 FHAF Nc1ccc(-c2nc3ccnc(Br)c3[nH]2)c(C(F)(F)F)c1 587095687 QJQMAXCOBUQGIF-UHFFFAOYSA-N 357.133 3.988 0 1 FHAF CCCOc1cc2nc(-c3csc(O)n3)[nH]c2cc1Br 587016680 FPYJVVHJNRAIEP-UHFFFAOYSA-N 354.229 3.943 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC23CCOCC3)N1 587833693 HKUMPDRBZOMOSH-DIFFPNOSSA-N 354.263 3.908 0 1 FHAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc3c(cc2[nH]1)OCO3 587168542 YYFDFRJIMWPWRO-HNNXBMFYSA-N 368.368 3.800 0 1 FHAF CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587401947 ZXXARZSDLQKLSB-NRFANRHFSA-N 353.418 3.618 0 1 FHAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587061169 BVOIFXVZCAWJRA-AWEZNQCLSA-N 366.826 3.993 0 1 FHAF CN(Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12)CC(C)(C)C 143436943 UPOWPUNCKUONQK-CMDGGOBGSA-N 372.513 3.628 0 1 FHAF O=C1C[C@H](c2ccccc2O)Oc2ccc(I)cc21 1857654344 GJFPUGMZRCQXTK-OAHLLOKOSA-N 366.154 3.703 0 1 FHAF COc1c(O)cc(O)c2c(=O)cc(-c3ccc(Br)cc3)oc12 1772658102 RPRFZPCJJZBHHC-UHFFFAOYSA-N 363.163 3.642 0 1 FHAF CC(C)C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1 12466386 QQQVCZIXGCGPNO-LBPRGKRZSA-N 374.717 3.995 0 3 FHAF O=C(O)[C@@H]1CCCN(CCO[C@H](c2ccc(Cl)cc2)c2ccco2)C1 169319693 XKMHAVSWNHJTSH-CRAIPNDOSA-N 363.841 3.836 0 1 FHAF CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N(C)C 772551 WFOVKPRWVZEVGE-PKOBYXMFSA-N 372.852 3.919 0 1 FHAF COc1ccc2c(c1)CCc1c-2n(CCN(C)C)c2ccc(OC)cc12 1651453 DCUZWYULPUJECK-UHFFFAOYSA-N 350.462 3.986 0 1 FHAF CCc1ccccc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 4893816 QAEVKKRCJDXHBE-UHFFFAOYSA-N 363.866 3.847 0 1 FHAF C[C@H](NC(=O)c1cccn1C)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356299719 NMNDZILVCUUHOG-JTQLQIEISA-N 373.796 3.523 0 1 FHAF CCOC(=O)[C@]1(c2cccc(O)c2)CCCN(CCc2ccccc2)[C@H]1C 29570627 TWPQKUQOAZWKSV-FDDCHVKYSA-N 367.489 3.920 0 1 FHAF Cc1ccccc1[C@H]1C=C(c2ccc(Br)s2)Nc2nnnn21 101089848 FUBKBZPDZXSXHA-GFCCVEGCSA-N 374.267 3.862 0 1 FHAF CC1(C)CCC[C@]1(C)c1ccc(C(=O)OCC[C@](C)(O)CC(=O)O)cc1 2356723638 PMMJBYVOCQEGKR-LEWJYISDSA-N 362.466 3.927 0 1 FHAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccccc4F)C[C@@H]3F)[nH]c2c1 2356727916 XOIJTMCOMJXNLM-QFBILLFUSA-N 357.404 3.750 0 1 FHAF COc1ccc(-c2noc(CC(=O)Nc3nc4ccccc4s3)n2)cc1 71928004 NHNTYVBOVPXEFG-UHFFFAOYSA-N 366.402 3.536 0 1 FHAF Cc1cc(-c2ccc(NCCN)cc2)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 71332134 NUFYUAGFQGNRFD-UYRXBGFRSA-N 358.445 3.853 0 1 FHAF C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(CCO)cc2)S1)c1ccc(F)cc1 40393300 QQTAFRHJQHHJSE-RNODOKPDSA-N 372.465 3.556 0 1 FHAF Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 49033067 TWNISLQLWKPWDI-UHFFFAOYSA-N 367.459 3.573 0 1 FHAF O=C(CNc1nc(-c2ccc(F)cc2F)cs1)NCc1ccccc1 82192095 DPMDTGFBFDUKRF-UHFFFAOYSA-N 359.401 3.817 0 1 FHAF Cc1ccc(-c2nc3c(NCC(C)C)ncnc3n2C[C@@H]2CCCO2)o1 82178019 RSFSZBMLMKVZJQ-AWEZNQCLSA-N 355.442 3.642 0 1 FHAF CC1(C)Nc2c(cc(-c3cccc4nncn34)c3c2CCC3)C(C)(C)C1=O 142235992 KBFFQQCDKBTNHR-UHFFFAOYSA-N 360.461 3.936 0 1 FHAF NC(=O)[C@@H](N)Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12 146727256 LWHOVZKFRJORMC-NRFANRHFSA-N 371.440 3.778 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2ccccc12 587593946 JOYDNVADFLNOFC-UTKZUKDTSA-N 358.353 3.971 0 1 FHAF COC(=O)c1cccc2nc(-c3cnc(C)c(Br)c3C)[nH]c12 586979562 PMWRBVLDDIRHDO-UHFFFAOYSA-N 360.211 3.791 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1ncccc12 587585491 DZMUMALSTKIJPT-KNQAVFIVSA-N 359.381 3.981 0 1 FHAF Cc1cc(C)c2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 587148006 DXZHWJVIBIOUHB-AWEZNQCLSA-N 355.388 3.974 0 1 FHAF C[C@H](O)c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852760 IOUNYZIVLIYBOU-CYVIZDSUSA-N 371.275 3.722 0 1 FHAF CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC 587444269 YUUDYTKIASFOHA-QVKFZJNVSA-N 354.402 3.981 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC)c(OC)cc2[nH]1 586915530 FNXZSSBAPCQZAQ-SZNDQCEHSA-N 366.417 3.797 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(CC3CC3)n2)N1 587761673 CALKCFMYTFVSMH-DYZYQPBXSA-N 364.262 3.818 0 1 FHAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n(C)n1 587344607 XFQPVNKONHWKPS-TZIWHRDSSA-N 366.392 3.848 0 1 FHAF O=C(O)c1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1F 587133906 DLOJYQVZYIGROP-UHFFFAOYSA-N 360.263 3.912 0 1 FHAF N[C@H](c1nc2cc(Br)cc(F)c2[nH]1)c1ccc(F)cc1F 587151952 XAMQVZAHHGHXNC-LBPRGKRZSA-N 356.145 3.791 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(CC)cc21 587483681 LKQMUSXGNIFRJZ-NRFANRHFSA-N 351.402 3.720 0 1 FHAF NC1CC(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C1 587255049 CJFLWAWXVAGTCC-UHFFFAOYSA-N 364.165 3.504 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1oc3nc(C)cc(C)c3c1N)O2 587388731 GHRPPKMTCAOMFJ-FQEVSTJZSA-N 351.406 3.798 0 1 FHAF COc1cc2nc(C(F)(Br)Br)[nH]c2cc1F 587089044 WNSTZUXVYRLQDU-UHFFFAOYSA-N 355.964 3.580 0 1 FHAF O=C(N[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3)c1ccccc1 587221675 HDFSPOGCFULRFV-FQEVSTJZSA-N 371.396 3.811 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)OCCO3)CC2=O 587484536 GSLRZUSCHLSEOW-OAQYLSRUSA-N 354.402 3.997 0 1 FHAF Cc1cc(-c2nc3ccccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125806 RQSAEUDDYYGXRY-UHFFFAOYSA-N 355.341 3.800 0 1 FHAF COCCC[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353342 YSPRXXYCYAYVSN-PZJWPPBQSA-N 374.408 3.702 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4cccc(N)c41)[C@@H](C2)C3=O 587434071 QOQMSKOVWAVRDO-SBUREZEXSA-N 355.393 3.949 0 1 FHAF O=Cc1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 586982177 HPYKZSAPXISEBW-UHFFFAOYSA-N 359.179 3.576 0 1 FHAF CC[C@H](C(=O)OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348565 HAVGKNFWFQSUNH-BLIXFSHQSA-N 372.392 3.848 0 1 FHAF Cc1cc(C)c2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c1 587126403 AEUOZFIQIFIGCA-UHFFFAOYSA-N 355.341 3.535 0 1 FHAF Cc1cc(C)c([C@@]2(C)c3cccc(Br)c3CCN2C)c(O)n1 963279677 IRQRABDTGWHRRH-GOSISDBHSA-N 361.283 3.918 0 1 FHAF Cc1c(F)ccc2c1[C@]1(NCC2)C2CCN(CC2)[C@@H]1Cc1ccccc1F 962095229 WMXWVLSZLAVZMB-GGAORHGYSA-N 368.471 3.951 0 1 FHAF CCOC(=O)C[C@@H](C)C[C@]1(c2ccccc2)NCCc2ccc(O)cc21 963329089 KXQQCQIEVSDDIY-OPAMFIHVSA-N 353.462 3.761 0 1 FHAF O=C(NCc1ccccc1)c1ccccc1-n1cc2cc3c(cc2n1)OCO3 1772605402 CGBJVVIUQSBQBR-UHFFFAOYSA-N 371.396 3.684 0 1 FHAF Cc1ccc(S(=O)(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)cc1 13684900 FLDYOAPQWUARBK-GOSISDBHSA-N 366.914 3.620 0 1 FHAF CO[C@]1(C)C[C@H]2N(C(=O)c3ccccc3)N=C(c3ccccc3)C[C@@]2(C)O1 17213002 NLFKESWQOLYPFY-FCEUIQTBSA-N 364.445 3.847 0 1 FHAF Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(C(F)(F)F)cc1 169325969 ZVEZSOZJIXZQJL-UHFFFAOYSA-N 372.350 3.960 0 1 FHAF Cc1ccc2c(n1)CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 169711705 LLSQKOVYIVFXNQ-UHFFFAOYSA-N 374.423 3.505 0 1 FHAF CSc1ccnc(C[S@](=O)c2nc3ccc(OC(C)C)cc3[nH]2)c1 8469275 IJZKZDQFCCDLFT-XMMPIXPASA-N 361.492 3.775 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(S)nn2[C@H]1c1ccc(Cl)cc1 102285426 MYXIFMGRGBNXHJ-KLDSGFLGSA-N 350.831 3.722 0 1 FHAF CCNC(=S)Nc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1 29413246 ZXKYQCNWJZFCQO-UHFFFAOYSA-N 355.492 3.903 0 1 FHAF O=C(O)[C@@H]1CCCN1CCC(=O)N1c2ccccc2C=Cc2ccccc21 103210366 LKFUOPORLOUZJT-FQEVSTJZSA-N 362.429 3.774 0 1 FHAF Cc1cc(C)nc(N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)n1 103285634 CUDOFBFSAACFKK-OAHLLOKOSA-N 370.762 3.612 0 1 FHAF Cc1ncc(C(N)=S)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 101581793 LSWLEONMEQFWJB-OKILXGFUSA-N 369.490 3.835 0 1 FHAF COc1ccc(CCNCc2csc3nc4ccccc4n23)cc1OC 27341497 RWGJAPWWTHBJOH-UHFFFAOYSA-N 367.474 3.899 0 3 FHAF COc1cc2c(C)c(Cc3ccccc3)c(=O)oc2cc1OC(=O)N(C)C 26491992 VOUSKBOJHHKELG-UHFFFAOYSA-N 367.401 3.761 0 1 FHAF CC(C)(C)CCN1CCC[C@@H](NC(=O)COc2ccccc2Cl)C1 66157458 LJIWANQMRGKDSD-OAHLLOKOSA-N 352.906 3.736 0 1 FHAF COc1ccc(OC)c([C@H](CC(=O)c2cc(Cl)cs2)NC(C)=O)c1 72113687 PZIYZEHQZMJKIS-AWEZNQCLSA-N 367.854 3.869 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3cc4ccoc4cc3O[C@H]1CO2 15203339 QDVCTVPRLKNDMC-OALUTQOASA-N 352.342 3.570 0 1 FHAF biogenic Cc1cnc(Nc2ccc(C(=O)O)cc2)nc1Nc1ccccc1C(=O)O 87613208 RZKXJGQEKOAZKA-UHFFFAOYSA-N 364.361 3.669 0 1 FHAF COc1cc(C(=O)c2c[nH]c3c(C)c(OC)ccc23)cc(OC)c1OC 43019277 QWGJXXQAZGLWOD-UHFFFAOYSA-N 355.390 3.742 0 1 FHAF COC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Cl)cc1 95598737 DXSLKBLNCOVVKN-UHFFFAOYSA-N 354.793 3.935 0 3 FHAF Cn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 95580478 QEGOWKJFJUQRGC-VYAXVDJTSA-N 356.441 3.622 0 1 FHAF C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(c3nc4ccccc4o3)C2)CCC[C@H]1C 618007438 AOGAPEDTGQFRBT-QZWWFDLISA-N 355.482 3.985 0 1 FHAF O=C1c2ccccc2C(=O)N1CCCCCCNCc1ccc(F)cc1F 299864260 RAMACCWHONZEEF-UHFFFAOYSA-N 372.415 3.911 0 1 FHAF Cc1nc(O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590087 XORKILMKKJBVMD-RXVVDRJESA-N 363.369 3.678 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C1)O2 587399650 MCXAUPXCXQUZJX-KBPBESRZSA-N 372.465 3.558 0 1 FHAF N[C@@H](Cc1ccccc1Cl)c1nc2ccnc(Br)c2[nH]1 587059089 MYMHDARIWGDIEH-JTQLQIEISA-N 351.635 3.616 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587800230 WDDHIALVQDQIMY-ZMNCSTGQSA-N 370.262 3.681 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(F)F)N1 587723255 WEIXTPYGNVJGRV-WJWGPLDTSA-N 350.178 3.562 0 1 FHAF O=C1O/C(=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2ccccc21 586905923 GJYFZDRGTOSOAB-YVMONPNESA-N 366.686 3.645 0 1 FHAF COc1cccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c12 586973559 PGAMFCOBPYQITM-INIZCTEOSA-N 355.463 3.682 0 1 FHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(F)c(F)cc2[nH]1 587258909 AKJMHKCPGLPWCU-HNNXBMFYSA-N 374.391 3.548 0 1 FHAF c1ccc2c(c1)C[C@@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)S2 587040214 GKIOLVAXJTXDOH-IBGZPJMESA-N 351.475 3.785 0 1 FHAF CC[C@H](C)c1ccc2[nH]c(-c3ccn(CC)n3)c(C(=O)C(=O)OC)c2c1 587641526 GWLQCBKYXZBSCE-LBPRGKRZSA-N 353.422 3.921 0 1 FHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C)cnc2[nH]1 587113630 QUEBCGNURYTBGB-KRWDZBQOSA-N 362.355 3.685 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)O)c2)N1 587824396 BNSFOARJCPRPSG-XXFAHNHDSA-N 364.214 3.910 0 1 FHAF CC(C)(C)OC(=O)N1CC[C@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518012 YTAJGQYYVMCUFA-WMZOPIPTSA-N 357.450 3.909 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1CNC(=O)OC(C)(C)C)O2 587387397 POXGOURAKRQJGO-SPLOXXLWSA-N 374.481 3.996 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nccnc1Cl 587553764 VSVNVAUSBZFPIY-CXAGYDPISA-N 354.749 3.539 0 1 FHAF Cc1[nH]nc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1Cl 962695873 GFKFZUUBWUASJN-APPDUMDISA-N 351.878 3.964 0 1 FHAF Cn1ncc(Br)c1[C@]1(C)c2c(F)cccc2C[C@H]2CCCN21 963114374 SYOYHBZYPKEONG-PXAZEXFGSA-N 364.262 3.606 0 1 FHAF CCCCSCCCNC(=O)C1=C(C)C(=O)OC12CCC(C)CC2 5058795 XGCSKHOILBPKPM-UHFFFAOYSA-N 353.528 3.848 0 1 FHAF COc1cc(-c2cc(=O)c3cc(C)cc([N+](=O)[O-])c3o2)cc(OC)c1OC 35846834 KJSBZFAJODTMSE-UHFFFAOYSA-N 371.345 3.702 0 1 FHAF O=c1c2c(ncn2Cc2ccccc2)c2cccnc2n1-c1ccccc1 598129 HNQGGXAGBKEMKM-UHFFFAOYSA-N 352.397 3.784 0 1 FHAF COC(=O)[C@@]12CCC[C@@]3([C@H](OC)OC1)[C@@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@@H]23 2356689252 CFHDLAKXWKVAMW-KHRSZNPHSA-N 374.477 3.914 0 1 FHAF C=CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OC)c(OC)c2)OC1 73224537 DUJKSPFNUMAIPB-FQEVSTJZSA-N 351.402 3.896 0 1 FHAF COc1c(Cl)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@H]1C=CO[C@@H]1O4 13374534 RNQJRTAELVXSOU-LWESTGQBSA-N 358.733 3.660 0 1 FHAF biogenic CCN(CC)C[C@@H](O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 40918527 GYEMEFWAKNTCTE-QGZVFWFLSA-N 367.445 3.542 0 1 FHAF CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(-c2cccs2)o1 40565788 HKXMUSYUJHMGHH-JTQLQIEISA-N 351.428 3.674 0 1 FHAF CCCN1C(=O)c2cccc3c(S(=O)(=O)NC4CCCCC4)ccc1c23 41125305 WUFFSRSZRDNHFW-UHFFFAOYSA-N 372.490 3.821 0 1 FHAF O=C(Nc1cccc(Cl)c1)c1ccc(C(F)(F)P(=O)(O)O)cc1 49033829 XIHUSPVOXMDIBU-UHFFFAOYSA-N 361.668 3.819 0 1 FHAF O=S(=O)(c1cccc(F)c1)c1cn([C@@H]2CCCNC2)c2ccccc12 49032676 ZDQCZXVTNASVOV-OAHLLOKOSA-N 358.438 3.538 0 1 FHAF CC(C)(CCN)COc1cccc2ccc(-c3nnc4ccccn34)nc12 96175123 QZYGPBINVRPXPJ-UHFFFAOYSA-N 361.449 3.698 0 1 FHAF CCC(=O)N(C)c1cc(C(=O)N[C@H](C)COC)cc(-c2ccc(C)cc2)c1 142627515 IGDVZRHWLVZELA-MRXNPFEDSA-N 368.477 3.800 0 1 FHAF O=C(c1ccc(F)cc1)N1CCCn2nc(COc3ccccc3)cc21 473151246 ONGQCRPEKGKVED-UHFFFAOYSA-N 351.381 3.652 0 1 FHAF CO[C@H](C)COC1CCC(c2nc3cncc(Br)c3[nH]2)CC1 587951938 KDLLDJSIVUIPIK-VOMCLLRMSA-N 368.275 3.798 0 1 FHAF CC[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355443 UUSXPOVXSVYTMA-ICSRJNTNSA-N 358.365 3.904 0 1 FHAF Nc1ncccc1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587253481 JLDQWKZBYZNEPX-UHFFFAOYSA-N 371.160 3.912 0 1 FHAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 587052116 ZSZMDBRVQXZTMD-UHFFFAOYSA-N 350.209 3.873 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2cccc(O)c2)N1 587831400 HDZKIUGCPHGVTQ-XXFAHNHDSA-N 364.214 3.752 0 1 FHAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Br)cnc2[nH]1 587788146 XSHNSRFJFBHHRT-UHFFFAOYSA-N 374.238 3.853 0 1 FHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)ncc2[nH]1 587069764 KDNGWEXNTQMLSC-JTQLQIEISA-N 365.662 3.659 0 1 FHAF O=C(NCc1nc2ccnc(Cl)c2[nH]1)c1cccc(C(F)(F)F)c1 587111103 IVWWCMVMPQEXLY-UHFFFAOYSA-N 354.719 3.560 0 1 FHAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(C)cc3OC)[nH]c2c1 587924957 HSTDNPJWBTVUMZ-UHFFFAOYSA-N 373.478 3.625 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C=O)n(C)c2)N1 587752046 PSFVDXWGESRRNV-DYZYQPBXSA-N 365.246 3.537 0 1 FHAF O=C1CSc2ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cc2N1 587042813 HIKUWLTTWGFXMU-UHFFFAOYSA-N 351.218 3.976 0 1 FHAF NC(=O)Nc1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587242293 PSIXEYWSKZMCRN-UHFFFAOYSA-N 356.385 3.952 0 1 FHAF CCc1cc(O)nc(SCc2nc3c(Cl)cnc(Cl)c3[nH]2)n1 586967305 WZVQBCVVPQDNLT-UHFFFAOYSA-N 356.238 3.615 0 1 FHAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccnc21 587581814 NBQVDGVYJVPINH-GHTZIAJQSA-N 372.380 3.982 0 1 FHAF COC(=O)[C@H]1c2ccccc2C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527106 VDVMVUNNIIGUBZ-NFBKMPQASA-N 362.425 3.782 0 1 FHAF CCO[C@@H]1OC(C(=O)O)=C[C@H](c2csc3ccccc23)[C@H]1CCCO 13634749 WPQFRGANSMXDLW-BIENJYKASA-N 362.447 3.735 0 3 FHAF O=C1c2ccccc2C(=O)N1C1CCC(N2CCc3ccccc3C2)CC1 13802419 YKDSRIXEEBYQEB-UHFFFAOYSA-N 360.457 3.652 0 1 FHAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCOc2ncccc21 205619174 TXEBNCWNZYHMND-NSHDSACASA-N 370.758 3.936 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@H](CC1CN(Cc3ccccc3)C1)C2 1857628259 DLJSHNAEXBWGDQ-GOSISDBHSA-N 351.446 3.581 0 1 FHAF COC(=O)C1=CC[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2[C@H](C)CCC(=O)C(C)C 2356395879 WLOJMVRFMHXVIR-SFVSRICXSA-N 350.499 3.914 0 1 FHAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3c(C)nc4ccccc4c3o2)C1 4035293 KXLJFGCARHXIFM-CQSZACIVSA-N 366.417 3.705 0 3 FHAF CC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC(C)(C)CC 4902347 INWKANUYTNBMJK-SSDOTTSWSA-N 353.271 3.690 0 3 FHAF CC[C@H](C)OC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@@H](C)N2 6412310 WVXFSVJFLMMMFT-NWDGAFQWSA-N 353.426 3.946 0 1 FHAF COc1cc2c(cc1C)[C@@]1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21 103177621 WNMCSYFRPIGZTI-QHCPKHFHSA-N 372.424 3.624 0 1 FHAF Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)C(F)(F)F)cn3)ccc12 103176926 PHGGOPRTNZWZHF-UHFFFAOYSA-N 364.279 3.790 0 1 FHAF CC(C)N(CC[C@]1(c2ccccc2)C(=O)N[C@H](C)N2CCCC[C@H]21)C(C)C 28755262 FEKYBEXKIPSLIU-IEIRFRATSA-N 371.569 3.764 0 1 FHAF CCN1CC(C)(C)OC(=O)[C@H]1C(C)(C)C(=O)Nc1ccc(C(C)C)cc1 117775406 VMPZMNJYGDQVCW-KRWDZBQOSA-N 360.498 3.801 0 1 FHAF O=c1c2cc(F)c(-c3ccncc3)cc2n(C2CC2)c2snc(O)c12 28570082 VFZIZBNICZCVCT-UHFFFAOYSA-N 353.378 3.853 0 1 FHAF c1cc2c(cc1OCCCN1CCCCC1)CCN(C[C@H]1CCCO1)CC2 38825717 NXSLQNZNLLDVBI-HSZRJFAPSA-N 372.553 3.521 0 1 FHAF CO[C@@H](/C=C/c1ccccc1)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C/C(C)=C/C(N)=O 34073631 JCMQQWWEDGWMJB-ZAFMVVCLSA-N 357.494 3.990 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(N)cc3)cc2)C[C@@H]2CC[C@H]1N2C 36271661 KMRUPVHLDNPTES-BQJUDKOJSA-N 350.462 3.675 0 1 FHAF CC(C)(C(=O)NC1CCCCC1)n1cc(-c2ccc3c(c2)OCCO3)cn1 74387511 KJWKKMVUGVTKOE-UHFFFAOYSA-N 369.465 3.505 0 3 FHAF C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 79312355 VFTOBPQVFABRND-VNKQRKCFSA-N 359.510 3.963 0 1 FHAF COc1ccc(-c2nc(CN[C@@H]3CCN(Cc4ccccc4)C3)co2)cc1 72182671 SVAFDQPTUSVTQB-LJQANCHMSA-N 363.461 3.714 0 1 FHAF COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1OC(C)(C)C=C2 14708751 SDUMAACMVUGGAC-INIZCTEOSA-N 368.385 3.997 0 1 FHAF biogenic,in-vivo O=C1c2ccccc2-c2c1c(NCCN1CCCC1)nc1cc(O)ccc21 45498040 ARONIKCBFKOXAG-UHFFFAOYSA-N 359.429 3.660 0 1 FHAF CC(C)n1ncn(-c2nc3c(s2)[C@H](C)Sc2sccc2-3)c1=O 73156244 BANBWLIHRMUFAZ-QMMMGPOBSA-N 350.494 3.967 0 1 FHAF O=C(Nc1ccc2ccccc2n1)c1nscc1NCc1ccncc1 40914251 HCUUQTPVROSCNE-UHFFFAOYSA-N 361.430 3.951 0 1 FHAF CC1(C)CNC(=O)c2cc3n(c2C1)CCc1cc(Br)ccc1-3 40849218 CKZQHNPDALPEGB-UHFFFAOYSA-N 359.267 3.786 0 1 FHAF O=C1NCCc2[nH]c(-c3cccc4ncc(Nc5ccccc5)nc34)cc21 222403833 AJMRXXHYVHTIEV-UHFFFAOYSA-N 355.401 3.654 0 1 FHAF COc1ccc(-c2cnc3c(NC4CCOCC4)snc3c2)cc1OC 223102784 OMNMZVHDICQQMO-UHFFFAOYSA-N 371.462 3.966 0 1 FHAF Cc1cccc(C)c1NC(=O)[C@]1(C)CSCC(=O)N1Cc1cccs1 199230527 YLKWQNZOQLCUQH-IBGZPJMESA-N 374.531 3.838 0 3 FHAF Nc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1 653886019 YRQUCNLNUMQCDE-JLHYYAGUSA-N 355.397 3.844 0 1 FHAF COc1ccc2c(c1)CCC=C2Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 587934003 DQTKOPLGAPTLEN-UHFFFAOYSA-N 360.339 3.904 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(OC(F)(F)F)c1)[C@@H](C2)C3=O 587421951 MVBSHDQHQCOYHM-GTNSWQLSSA-N 366.291 3.788 0 1 FHAF Cc1cnn(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587760935 RHBSOTAYVJQGOK-BDJLRTHQSA-N 352.251 3.543 0 1 FHAF CCOC(=O)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800722 YNWDNTQFDFUNSB-HWPZZCPQSA-N 358.251 3.681 0 1 FHAF O=C1C[C@H](c2cccc(N3CCOCC3)n2)Oc2c1ccc1c2CCCC1 587518088 AGORGIHFTRKEHM-HXUWFJFHSA-N 364.445 3.504 0 1 FHAF COc1cc(O)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587806322 HTQNBYFVPIFTOO-XLFHBGCDSA-N 366.230 3.926 0 1 FHAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587828969 PJANGSNKXMWGFT-VXJOIVPMSA-N 368.202 3.591 0 1 FHAF CC(=O)CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3cccc(F)c23)cc1 587635263 IVACWEPAJXXMLK-UHFFFAOYSA-N 367.380 3.785 0 1 FHAF C[C@]1(c2ccccc2[C@@H](O)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587533979 TWEXBIHYRSFWPV-DENIHFKCSA-N 366.413 3.564 0 1 FHAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(N)ccnc4[nH]3)c2C1 587032832 CYENPPNOBZCNJY-UHFFFAOYSA-N 371.466 3.562 0 1 FHAF CCOc1ccc(C(=O)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587399104 HWMIVPFTLJPMAG-LJQANCHMSA-N 369.417 3.591 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1F 587868003 HAHIBCMGNQTZIC-UHFFFAOYSA-N 365.286 3.800 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(OC(C)=O)c(C)c1)[C@@H](C2)C3=O 587444314 TULAXWWFVNAEEM-KKSFZXQISA-N 352.386 3.726 0 1 FHAF COc1cncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587776976 ZOQGBEBCCDFTBE-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)O[C@H](C)c1ccccc1)O2 587402222 VZLVFOBCVTXXOG-SPLOXXLWSA-N 353.418 3.996 0 1 FHAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 587051628 ZNWBWMPGFFIYFD-UHFFFAOYSA-N 356.813 3.544 0 1 FHAF Fc1ccc(-n2nnc(-c3nc4ccc(Cl)nc4[nH]3)c2C2CC2)cc1 587168864 POYDQDFZNBCTPB-UHFFFAOYSA-N 354.776 3.876 0 1 FHAF CCOC(=O)CC[C@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452700 SWAQAYABKSJUQC-VLIAUNLRSA-N 372.442 3.743 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCO4)(C(C)C)[C@@H](C2)C3=O 587449524 BUYAWNLTSZFWJW-JTSKRJEESA-N 350.414 3.929 0 1 FHAF C[C@]1(C2=NCCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374284 OVHVDISQUZKWTN-LPHOPBHVSA-N 357.406 3.794 0 1 FHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Cl)ncc3[nH]2)C(F)(F)C1 587132218 NFUFMCDFNBDWCZ-MRVPVSSYSA-N 358.776 3.581 0 1 FHAF Nc1ccc(-c2nc3c(Br)ccnc3[nH]2)c(C(F)(F)F)c1 587095620 NIMCZWADZGYKGC-UHFFFAOYSA-N 357.133 3.988 0 1 FHAF COc1ccc2c(c1)CC[C@]1(C2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963602635 AGEBSZPBAYGAPT-RCDICMHDSA-N 353.462 3.631 0 1 FHAF Cc1ccc(N[C@@H]2CCCN(C(=O)c3cn4cccc(C)c4n3)C2)cc1C 11819548 FGCLZNKAKBADKV-LJQANCHMSA-N 362.477 3.976 0 3 FHAF O=c1cc(N2CCOCC2)oc2ccc(-c3ccc4ncccc4c3)cc12 13677124 NLXINQFMYGJPMZ-UHFFFAOYSA-N 358.397 3.845 0 1 FHAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 775157 RTYIPUYNVTXPPI-LBPRGKRZSA-N 360.410 3.710 0 1 FHAF CC1=C[C@H](CNCc2ccncc2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356300702 MKZSWWNXODCULS-XUVXKRRUSA-N 354.498 3.960 0 1 FHAF Clc1ccc(-c2c(C3=NCCN3)nnn2-c2ccc(Cl)cc2)cc1 1629414 XBOZNYDKSZIIMV-UHFFFAOYSA-N 358.232 3.591 0 1 FHAF CCc1ccc([C@@H]2C[C@H](c3cc(OC)ccc3OC)N3NC=NC3=N2)cc1 2915271 RZSVCBGACGRXGV-RBUKOAKNSA-N 364.449 3.657 0 1 FHAF COc1ccc2sc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)c2c1 28644595 UDSVETRXGLLTFP-UHFFFAOYSA-N 373.430 3.749 0 1 FHAF CC=C(C)[C@@H]1O[C@@H]2C(CO)=C[C@](C)(C=CC(=O)O)[C@@H]3C(C)=C[C@]1(C)[C@]23C 2356481710 ZEQFTKODFDOLED-GVUKCBQMSA-N 358.478 3.888 0 1 FHAF O=C1[C@H]2CCCN2[C@H](c2ccc(Cl)c(Cl)c2)N1c1nccs1 36082192 IIFBFALIGGKRDZ-OLZOCXBDSA-N 354.262 3.960 0 1 FHAF O=C1c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)CC12CCCCC2 39220356 STIREQLPBKTXAN-UHFFFAOYSA-N 367.236 3.775 0 1 FHAF O[C@H](COc1cccc(-c2cccnc2)c1)CN1CCc2ccccc2C1 219745653 FIEYYUJBSDAZAJ-QFIPXVFZSA-N 360.457 3.547 0 1 FHAF COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@H](CC3CCCCC3)CN1CC2 71331498 CRICLBURZAGDER-MISYRCLQSA-N 359.510 3.954 0 1 FHAF CN1N=C(c2ccc(OCCCN3CCCCC3)cc2)[C@H]2CCC[C@H]2C1=O 72122638 ZWVLHXRFHSCJTO-VQTJNVASSA-N 369.509 3.534 0 1 FHAF Cc1cc(-c2cccc(NCCN)c2)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 71340862 DQOBKJAAZXYUQV-UYRXBGFRSA-N 358.445 3.853 0 1 FHAF CCCCCNc1ncnc2c1nc(C1CC1)n2CCc1ccccn1 82186907 XNWPFCJHIBGYNN-UHFFFAOYSA-N 350.470 3.944 0 1 FHAF O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 82195438 PBRGQNBQEAOSQB-ZDUSSCGKSA-N 373.375 3.597 0 1 FHAF O=C(Nc1ccnc(F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142902219 BXFUKLNQVVWJAF-UHFFFAOYSA-N 352.247 3.542 0 1 FHAF O=C(NCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1 95593263 XKXVKNXNCCZXMQ-UHFFFAOYSA-N 366.486 3.962 0 1 FHAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)s1 253687851 AZGJPBSOUXXLFR-RDAODPJTSA-N 368.296 3.550 0 1 FHAF COc1cc2c3c(c1)OC1(CCC(NCc4ccccc4)CC1)[C@@H](C2)C3=O 587432922 NONMQDUZUMAAOU-YZOUICBYSA-N 363.457 3.914 0 1 FHAF COc1ccc(Cl)c(NC(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587651206 NICCTOMMBOHWIO-UHFFFAOYSA-N 364.188 3.792 0 1 FHAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccncc1)[C@@H](C2)C3=O 587436741 SLLLGZZWBWNDCE-CVDCTZTESA-N 357.409 3.976 0 1 FHAF Cc1[nH]c(=NC[C@H]2CCCO2)sc1-c1cc2c3c(cccc3n1)CC2 587360341 MTFLPVFWVOCRGA-OAHLLOKOSA-N 351.475 3.778 0 1 FHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(C(C)=O)cc2[nH]1 586973099 NRLKXSQFGWYBQI-IBGZPJMESA-N 367.474 3.876 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cccc(O)c21 587405191 UZCBVXTYQSUHIL-HSZRJFAPSA-N 371.392 3.736 0 1 FHAF CCOc1cc(CC(C)=O)c(OCC)n1-c1ccnc(Br)c1 587941889 YIYMKVCMDWLEHQ-UHFFFAOYSA-N 367.243 3.564 0 1 FHAF CC1=C(c2ccc3nc(/C=C/c4ccc(C)c(F)c4)[nH]c3c2)NNC(=O)C1 587146291 HPEXFOINOPMONI-VMPITWQZSA-N 362.408 3.936 0 1 FHAF COc1ccnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587773354 QTQUZJDDUYAEDY-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586882173 LFGBGHJLMBJLIG-UHFFFAOYSA-N 372.327 3.813 0 1 FHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Cl)cc2[nH]1 587193940 JFCUINQBSMIBRW-ZDUSSCGKSA-N 352.866 3.734 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3cncn3)cc1Cl)O2 587377758 YLFBHOJKSQRVQU-IBGZPJMESA-N 368.824 3.692 0 1 FHAF COc1ccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(C(F)(F)F)c1 587098672 WTJSZTJPFZQORY-UHFFFAOYSA-N 370.352 3.661 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2CC(=O)O)N1 587827340 KNGNZNWGPXMDIZ-ZYSBLVPFSA-N 356.235 3.593 0 1 FHAF FC(F)(F)c1ccn(Cc2cc(-c3nc4cnc(Cl)cc4[nH]3)no2)n1 587119485 YAMPVZKSZZQXLA-UHFFFAOYSA-N 368.706 3.530 0 1 FHAF COc1cncc(N)c1-c1nc2c(Cl)cc(Br)cc2[nH]1 587252803 NHFSCCYSKWPPFM-UHFFFAOYSA-N 353.607 3.632 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccn1)CC2=O 587486927 NCVSCUFRQIPRMP-OAQYLSRUSA-N 369.417 3.554 0 1 FHAF COC(=O)c1cc(Br)c2[nH]c(-c3ncccc3Cl)nc2c1 587064828 HSYHDCICTCSSJD-UHFFFAOYSA-N 366.602 3.827 0 1 FHAF CN(C)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587574265 WMFFUNGWQRCFPM-UARVQCNDSA-N 353.418 3.597 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cnc(N2CCCCC2)s1 963629356 BBFFPPOREGSTBH-DJJJIMSYSA-N 373.522 3.774 0 1 FHAF CCc1ccc2c(c1)[C@]1(C(=O)N2)c2cccc(Br)c2CCN1C 963280625 ODQBALNWBRJAPA-IBGZPJMESA-N 371.278 3.695 0 1 FHAF CC(C)C(=O)[C@@H]1CCCC[C@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962711280 LXZFEBGWDZRKRW-TXPKVOOTSA-N 367.411 3.943 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccn2[C@H](C)C(=O)OC)N1 962959819 QUBUCRHVAOWINL-JZKQVHKSSA-N 351.450 3.717 0 1 FHAF CC(=O)NCc1nc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2)no1 1772613922 KAHDSNPPSQVTOA-UHFFFAOYSA-N 367.405 3.952 0 1 FHAF CC(C)NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 13122995 ZSYOYALYVPMOQR-ZYHUDNBSSA-N 358.389 3.743 0 1 FHAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@@H](c2c(O)cccc2O)O3)O1 13380056 GLRTXWXOVXNDGS-HNNXBMFYSA-N 354.358 3.694 0 1 FHAF biogenic,in-vitro CC(C)=CCC/C(=C\CC/C(=C\CCC1=CC(=O)OC1)C(=O)O)C(=O)O 14654717 OOEGASWQMOHZOT-ZIFCOWSCSA-N 362.422 3.798 0 1 FHAF COc1ccc(N2C(=O)[C@H]3C[C@@H](C)c4c([nH]c5ccccc45)[C@H]3C2=O)cc1 17212339 WCKFQFJHMVYTQQ-GFJSAUFNSA-N 360.413 3.957 0 1 FHAF Cc1nccn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1 205637279 HMBLYNCMXUMYBE-UHFFFAOYSA-N 360.392 3.693 0 1 FHAF O=c1cc(OC[C@@H]2CCc3ccccc3O2)ccn1-c1ccc(F)cc1 1857546399 AMESUOZRLCTHSV-IBGZPJMESA-N 351.377 3.749 0 1 FHAF NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCc2ccccc2)C3)nc1 28825020 UHPGTTVJNCBSLC-UHFFFAOYSA-N 373.456 3.574 0 1 FHAF O=C(NCc1ccccc1)N1CCC(CN2CCc3ccccc3C2)CC1 6877333 SFDCWAYTEWYYDQ-UHFFFAOYSA-N 363.505 3.667 0 1 FHAF CC(C)C[C@H]1n2cncc2CN([C@H](C)c2ccc(Cl)cc2)S1(=O)=O 58511540 ARJPLPHVQBNIKZ-DYVFJYSZSA-N 367.902 3.988 0 1 FHAF Cc1cc(CN(C)C(=O)c2cc(-c3cnn(C)c3)nc3ccccc23)ccn1 23368909 RVJQYEXPNFPSIJ-UHFFFAOYSA-N 371.444 3.611 0 1 FHAF COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCC4)ccc32)cc1 28818066 ZOQAPWIJYCXCQM-QHCPKHFHSA-N 366.505 3.747 0 1 FHAF COc1ccc([C@@H]2O[C@H](C3=C[C@H](OC)[C@H](OC)C=C3)[C@@H](C)[C@H]2C)cc1OC 2356432739 KPICBHIDTSYCGW-VUCIQSSFSA-N 374.477 3.942 0 1 FHAF COC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C 118737605 KKBJFQSJNNQPRT-UHFFFAOYSA-N 358.423 3.712 0 1 FHAF CC(C)(CCCOc1ccc(CCNC(=O)c2ccccc2)cc1)C(=O)O 28225758 GFVUIRAGPWENSQ-UHFFFAOYSA-N 369.461 3.929 0 1 FHAF Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1 27855924 PUJAGVRPJZNJPF-UHFFFAOYSA-N 373.456 3.658 0 1 FHAF N[C@](c1ccccc1)(C(F)(F)F)[P@]1(=O)OC(=O)c2ccccc2O1 31899437 XANUINOEWNPJKP-LFPIHBKWSA-N 357.224 3.803 0 1 FHAF COc1cc(-c2coc3c(OC)c(OC)ccc3c2=O)cc(OC)c1OC 14646115 AFYSMUXXADHNOD-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF biogenic Nc1ccccc1NC(=O)/C=C/c1ccc(NCCNc2ccccc2)nc1 36338679 BCJDBTOVHNPPNE-ACCUITESSA-N 373.460 3.840 0 1 FHAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccc(F)cc3)C2)cc1 73297910 NTCYROXBTZYTDM-QGZVFWFLSA-N 353.422 3.915 0 1 FHAF CC(C)(C(=O)Nc1nncs1)[C@@H]1c2ccccc2Oc2ncccc21 73141109 GTLXWZAAYSXVAK-CQSZACIVSA-N 352.419 3.836 0 1 FHAF O=c1c(-c2ccccc2)nnc2n1CCN2c1cc(Cl)ccc1Cl 45245130 CITMLDFRMQTGKX-UHFFFAOYSA-N 359.216 3.764 0 1 FHAF O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)CCC1CCCC1 45390743 OMKGSAFABROOEP-SFHVURJKSA-N 362.901 3.918 0 1 FHAF O=C(Nc1ccc(F)cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O 45300686 SILGYGPOHHZMNP-UHFFFAOYSA-N 374.375 3.978 0 1 FHAF CO[C@@H]1CC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@]2(C)[C@@]1(C)O 238744065 DFQPKSJLPVMDKO-PUJOTZPESA-N 350.499 3.868 0 1 FHAF CC1(C)C=Cc2c(ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)c2O)O1 140274919 PKEYFNYGJJUWHE-UHFFFAOYSA-N 352.342 3.761 0 1 FHAF O=C1[C@@H]2CCCN2[C@H](c2ccc(Cl)c(Cl)c2)N1c1nccs1 253622978 IIFBFALIGGKRDZ-STQMWFEESA-N 354.262 3.960 0 1 FHAF Cc1cc2ncn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@@H]34)c2cc1C 653793668 NPMDPIXHUDNEPJ-GOTSBHOMSA-N 374.488 3.619 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(F)(F)F)n(C)n1)CC2=O 587464664 VOIZNJNXSNETEE-KRWDZBQOSA-N 368.355 3.978 0 1 FHAF Nc1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 587249192 JCADJNZJNGDTIG-UHFFFAOYSA-N 356.385 3.810 0 1 FHAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587767266 AGSLVYDOEYLNLT-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF Fc1cc(-c2nc3cc(Br)ncc3[nH]2)cc(N2CCCC2)n1 587177450 JOGCCEXXAQIPBA-UHFFFAOYSA-N 362.206 3.522 0 1 FHAF Cc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1C 587274482 WRCAGSXYOBADOU-UHFFFAOYSA-N 360.207 3.930 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3c[nH]nc32)[C@H]1c1ccc(F)cc1 587349390 UOZCVNOIXUFPMR-RXVVDRJESA-N 364.376 3.845 0 1 FHAF COc1ccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587386339 IKLYJPVLZIISJG-GLCJEOIMSA-N 352.434 3.522 0 1 FHAF COc1cc(/C=C\c2nc3c[nH]c(=N)[nH]c-3n2)cc(Cl)c1OCC(C)C 587047589 YEYMYSRKVWUZKQ-PLNGDYQASA-N 373.844 3.584 0 1 FHAF Cc1ccc(CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1N 587250633 OFIVOMUMUMFRIS-UHFFFAOYSA-N 355.751 3.653 0 1 FHAF COc1cc(OC)c2[nH]c(CCC(=O)c3cc(C)ccc3OC)nc2c1 587786359 GHMODWFWTGGMDI-UHFFFAOYSA-N 354.406 3.713 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(O)ncn1 587859791 ITIPJIPYBOTLGG-UHFFFAOYSA-N 351.193 3.740 0 1 FHAF O=C(NCc1nc2cc(F)c(F)cc2[nH]1)c1cccc(C(F)(F)F)c1 587110852 FQNKVGULBHZVFH-UHFFFAOYSA-N 355.266 3.790 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2CC2CC2)N1 587755597 BAQHMVKPKVNOBQ-QGHHPUGFSA-N 364.262 3.818 0 1 FHAF CCCCc1ccc(C(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1 149104303 KYAGDWQXJICEFO-NRFANRHFSA-N 364.489 3.953 0 1 FHAF CCOC(=O)[C@]1([C@H]2CCCCCC2=O)c2ccc(F)cc2C[C@H]2CCCN21 963102612 NBOCYQNWWRCDSI-ZWCUEREDSA-N 373.468 3.754 0 1 FHAF CCCCOc1c(O)ccc2c1CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 1772638433 OANPPORMDDJIER-SFHVURJKSA-N 369.461 3.941 0 1 FHAF NC(=O)c1ccc(NC(=O)c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1 164794925 XUROUNFKOLFVHV-UHFFFAOYSA-N 374.375 3.720 0 1 FHAF CCC(CC)[C@H]1c2ccccc2CCN1C(=O)CNCC1(O)CCCCC1 201367455 SLFBPHJJUPNZOL-QFIPXVFZSA-N 372.553 3.833 0 1 FHAF NCc1ccc2c(c1)c(CC(CF)CF)cn2-c1cccc(C(N)=S)c1 1857606993 QCJWSYUXUPIQET-UHFFFAOYSA-N 373.472 3.821 0 1 FHAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773572 KDRLFFCQKZVXLA-CQSZACIVSA-N 360.410 3.710 0 1 FHAF O=C(O)C[C@@H]1C[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)c(F)c1 28648131 ZWPCJINLOLYZBQ-DOTOQJQBSA-N 370.424 3.779 0 1 FHAF COc1ccc(-c2nc(CCc3cc(OC)c(OC)c(OC)c3)no2)cc1 103263306 VQQDAJVVEOGQNU-UHFFFAOYSA-N 370.405 3.556 0 1 FHAF NCCN1[C@@H]2CC[C@@H]1CC(NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101060894 DEBMLCCWWGKBJP-NHCUHLMSSA-N 371.475 3.598 0 1 FHAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCC[C@@H]1C[C@@H](O)[C@@H](C)C(=O)O1 2356861458 UJFSPDOPSFJXRP-BNEJOLLZSA-N 352.471 3.863 0 1 FHAF CCN1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72102460 QCIGKPBSWYHWEW-GOSISDBHSA-N 364.415 3.659 0 1 FHAF O=C(NCc1c(Cl)cc(Cl)cc1Cl)[C@@H]1COc2ncccc21 224621773 CZPLKOIQGWGITH-LLVKDONJSA-N 357.624 3.834 0 1 FHAF OC[C@@H]1CCCN1c1cccnc1Oc1ccc(Nc2ccccn2)cc1 138952666 CGLMOGQLNPWIFU-KRWDZBQOSA-N 362.433 3.974 0 1 FHAF O=C(O)c1cn(Cc2ccccc2C(F)(F)F)c2c(F)cccc2c1=O 45348433 NFVZBKOWWXJNSQ-UHFFFAOYSA-N 365.282 3.906 0 1 FHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCC2)cn1 141234807 RFWHUQCYLLPWHN-UHFFFAOYSA-N 363.417 3.906 0 1 FHAF CC(C)OC(=O)CCCN[C@]1(c2ccccc2Cl)CCCCC1=O 96911355 UMTAVENMCNHZKS-IBGZPJMESA-N 351.874 4.000 0 1 FHAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299878973 KALISVBWZTZWPV-GDAAHCPNSA-N 362.470 3.713 0 1 FHAF COc1cc2c(c3oc(=O)c(-c4ccc(O)cc4O)cc13)C(C)(C)[C@@H](C)O2 653818593 HQCCHZPTYSDJDO-SNVBAGLBSA-N 368.385 3.938 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(CC(=O)O)cc1)CC2=O 587491469 WDPCBPYKOPYYMB-NRFANRHFSA-N 354.402 3.852 0 1 FHAF O=S1(=O)CCCN1c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587216518 CZUYLWQYLNEYBL-UHFFFAOYSA-N 350.443 3.540 0 1 FHAF CCC(=O)Nc1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587432824 NERQLVSWWIZHBQ-IERDGZPVSA-N 351.402 3.707 0 1 FHAF CCOC(=O)Cc1ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587174389 IZYGDINBALDHSI-UHFFFAOYSA-N 351.381 3.880 0 1 FHAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 587191626 NRSYTVAPZIDQJE-CYBMUJFWSA-N 373.844 3.914 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C(C)C)c2ccccc21 587487839 OHUZQWXAVZNDQD-JOCHJYFZSA-N 365.429 3.960 0 1 FHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(F)c(F)cc3[nH]2)C(F)(F)C1 587132051 IALZYJQKQPHTQP-MRVPVSSYSA-N 359.323 3.811 0 1 FHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C)c(C)c3[nH]2)cc1 587229024 YLAMFCULTJYDPH-UHFFFAOYSA-N 366.421 3.678 0 1 FHAF COc1cc2c3c(c1)O[C@](C)([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587437818 LMFNRBRIXGTZRM-PXARDIRTSA-N 373.449 3.601 0 1 FHAF OCc1ccccc1-c1cccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 586895291 WBWVSOLWXOKBNI-UHFFFAOYSA-N 356.385 3.971 0 1 FHAF CCOC(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800484 XZQHQRPRDUPSRS-APPDUMDISA-N 372.278 3.927 0 1 FHAF Cc1cc(C)n(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587584051 YVULIVRRQHUTHL-IEBWSBKVSA-N 364.401 3.626 0 1 FHAF O=Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587610067 PLEUOTAHIRSFIC-DYESRHJHSA-N 362.337 3.613 0 1 FHAF COc1ccc(C)cc1NCCCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 587229128 PLLYNBQSAZOWBU-UHFFFAOYSA-N 366.465 3.626 0 1 FHAF COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CS(C)(=O)=O 587216539 DYIVOBDTJCKFOY-UHFFFAOYSA-N 353.443 3.554 0 1 FHAF COc1cncc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012163 GZNOWJARFHAZGU-UHFFFAOYSA-N 351.229 3.730 0 1 FHAF COc1cc(/C=C\c2nc3c(O)ncnc3[nH]2)cc(Cl)c1OCC(C)C 587047209 UDEQUQPREHEFLF-PLNGDYQASA-N 374.828 3.926 0 1 FHAF CCc1cc(O)nc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 587863210 UWCVRLFTCCTODY-UHFFFAOYSA-N 364.327 3.625 0 1 FHAF Cc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1F 586920821 RPNFWJYHQWZRJS-UHFFFAOYSA-N 358.438 3.516 0 1 FHAF Nc1ccc(-c2ccc3nc([C@@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)cc1N 586904225 RZDAKBVPUZULNR-IIBYNOLFSA-N 356.429 3.963 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1[C@@H]3C[C@H]1N(C(=O)OC(C)(C)C)C3)O2 587399608 KULJHGQNUCRYCQ-XRZYQTNGSA-N 372.465 3.557 0 1 FHAF CCOC(=O)[C@H](Cc1ccccc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397800 BAFCOYKPSIABHM-JTSKRJEESA-N 367.445 3.723 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=COc1cc(O)ccc12 587605849 BEBWBECSBALXSU-DENIHFKCSA-N 374.348 3.861 0 1 FHAF COc1cccc(O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596139 UUHTYWUQOZOJTL-WIYYLYMNSA-N 364.353 3.809 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](CCCNC(=O)C1CCCC1)CC2=O 587471422 SNQOSYRVASUHND-OAHLLOKOSA-N 359.466 3.765 0 1 FHAF CCOC(=O)c1c(N)sc2c1CCc1c-2nc2cccc3c2c1CC3 587360276 MCPIRRQRNMDXAG-UHFFFAOYSA-N 350.443 3.919 0 1 FHAF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3cc(C)ccc3C)[nH]c2c1 587959868 XCWKZNFTSFQDHI-UHFFFAOYSA-N 371.506 3.801 0 1 FHAF CCCc1nc(C(=O)O)cn1Cc1ccc(-c2ccccc2C(=O)O)cc1 13745643 KUJIBHNSSQMNDX-UHFFFAOYSA-N 364.401 3.947 0 1 FHAF COc1ccc(-c2cnc3cnc(-c4cccc(C(=O)N(C)C)c4)cn23)cc1 1857609244 IOWKFHDRSWGSEE-UHFFFAOYSA-N 372.428 3.774 0 1 FHAF c1cc(Nc2nccc(-c3cnn4ncccc34)n2)cc(-c2cnco2)c1 3816524 SYAYIIIJZNUJPQ-UHFFFAOYSA-N 355.361 3.585 0 1 FHAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCN3CCCC3)ccc12 103240650 VCNVTODZBGJIAO-UHFFFAOYSA-N 351.402 3.640 0 1 FHAF C[C@@H]1CN(CCCCNC(=O)C(C)(C)C)CCN1c1ccc(Cl)cc1 28231501 DVOIVAFOLPZGOP-MRXNPFEDSA-N 365.949 3.793 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C4=NCCO4)[C@@H]3CC[C@@H]12 26395185 MCQUWTXHJRSZGA-QHPZLZSXSA-N 358.526 3.895 0 1 FHAF N=c1c2cccnc2nc2n1CC/C2=C\c1ccccc1Br 28351521 PCONRXCNJWHBRJ-CUGSQWQISA-N 353.223 3.618 0 1 FHAF O=C(Cc1ccccc1)c1cc2c(c(Cl)c1Cl)O[C@@H](C(=O)O)C2 27996511 WNSXXYONJLYXMN-CYBMUJFWSA-N 351.185 3.807 0 1 FHAF C[C@@H]1Cc2cc(C=C[C@@]34NC(=O)CN3c3ccccc3C4(C)C)ccc2O1 2356742435 TWCVOODGGUWAPC-IQMFZBJNSA-N 360.457 3.647 0 1 FHAF C[C@H]1CN2C[C@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 35075261 FYKCIOAYMLTGHC-MDFGKDKASA-N 350.506 3.575 0 1 FHAF CCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C1CC1 34065742 QBZJAAYUTYAIBM-UHFFFAOYSA-N 367.430 3.615 0 1 FHAF CN(C)C(=O)NC1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72102128 KWAJVDZIZNYOSN-LJQANCHMSA-N 372.900 3.560 0 1 FHAF COc1cc(OC)c2c(=O)c(-c3cc(OC)c(OC)cc3OC)coc2c1 14645903 HFVMJNIERAKWKQ-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF biogenic NC[C@@H](NC(=O)c1cc(-c2c[nH]c3ncccc23)cs1)c1ccccc1 40395519 ZNBOMXQVNVLXCZ-QGZVFWFLSA-N 362.458 3.721 0 1 FHAF CC(=O)N1N=C(Nc2nc3ccccc3s2)C[C@H]1c1ccc(O)cc1 45258721 KESWMEJJWKYDRD-HNNXBMFYSA-N 352.419 3.721 0 1 FHAF COc1cc(C(=O)NCCc2ccccc2Cl)ccc1-c1cn[nH]c1 221705042 HOKFQGROLDNJSI-UHFFFAOYSA-N 355.825 3.711 0 1 FHAF COc1cc(OC)c2c(=O)cc(-c3cccs3)oc2c1-c1ccnn1C 95588706 WCFYXSFDHGBEOL-UHFFFAOYSA-N 368.414 3.939 0 1 FHAF O=C(Nc1ccc(Nc2ncnc3[nH]cnc23)c(F)c1)c1ccccc1F 95601419 FAZOYZZVHDMCRK-UHFFFAOYSA-N 366.331 3.627 0 1 FHAF CC(=O)O[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@@]2(C)[C@H](O)C=C1CO 85602943 AOIDBNSVSJUUHH-VTRMHMOVSA-N 362.510 3.770 0 1 FHAF biogenic O=C(NCCc1c[nH]c2ccccc12)c1ccc[n+](Cc2ccccc2F)c1 473152878 WOKFBJFPZQBCAA-UHFFFAOYSA-O 374.439 3.615 0 1 FHAF COc1nccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586976165 LRGYHWMUDKJJCN-UHFFFAOYSA-N 368.618 3.961 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cccc(F)c1)[C@@H](C2)C3=O 587426523 DCBXVODMSLYYGA-XOBRGWDASA-N 350.349 3.713 0 1 FHAF N[C@H](Cc1cccc(Br)c1)c1nc2ccnc(Cl)c2[nH]1 586983641 HEJRZPIEWCRRSH-SNVBAGLBSA-N 351.635 3.616 0 1 FHAF CCN1C(=O)C[C@@H](c2nc3cc(OC)ncc3[nH]2)[C@@H]1c1ccccc1Cl 587060569 AIHNNPLHQUURNS-XIKOKIGWSA-N 370.840 3.697 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2OCO3)N1 587833666 HDRZDRZIDCSXJN-XXFAHNHDSA-N 364.214 3.941 0 1 FHAF CC1(C)[C@@H]2OCCC[C@@H]2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587613400 XQJODQPIJXLMJO-HZFJNSHTSA-N 366.413 3.928 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587080810 SRLLYXQOKHOCND-NSHDSACASA-N 366.812 3.522 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1c[nH]c3ccccc13)CC2=O 587480619 DQXKEJWLPPCVFP-OAQYLSRUSA-N 365.385 3.771 0 1 FHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(C)nccc2[nH]1 587114294 YPKDJYPJIOWAEG-KRWDZBQOSA-N 362.355 3.685 0 1 FHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 586902287 XQPIFNKPFIOFQI-UHFFFAOYSA-N 359.451 3.731 0 1 FHAF COC(=O)c1coc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587831035 VMKQEGCPVJABJS-ANRSDYALSA-N 368.202 3.591 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)OC(C)(C)C)[C@@H]1C)O2 587397299 ZNCUPMYDMUFHEY-ZUOKHONESA-N 360.454 3.701 0 1 FHAF CCc1ccc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1CC 586880407 YQOYJMRHIVSDAY-UHFFFAOYSA-N 357.479 3.605 0 1 FHAF COc1ccc(OC)n1-c1c(Br)cccc1-c1cnn(C)c1 587935006 LCBBTNYPTIEAHG-UHFFFAOYSA-N 362.227 3.658 0 1 FHAF Fc1ccc(-n2nnc(-c3nc4c(Cl)ccnc4[nH]3)c2C2CC2)cc1 587168722 NPGUNDVUJJMDOX-UHFFFAOYSA-N 354.776 3.876 0 1 FHAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(C3CCCC3)nn12 1772620349 LKQLCCQTHLTJMH-UHFFFAOYSA-N 358.829 3.897 0 1 FHAF COc1cc(CNC(=S)NCc2ccc(C(C)(C)C)cc2)ccc1O 13604994 MRDJEHJOSCNEAJ-UHFFFAOYSA-N 358.507 3.863 0 1 FHAF O=C1CCC/C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@H]2/C=C/[C@@H](CCc2ccccc2)O1 169290106 RIBUBQDYGJHEOM-CNBCMBHUSA-N 370.489 3.575 0 1 FHAF Fc1ccc(CN2CCC(n3cc(Cc4ccccc4)nn3)CC2)cc1 1857562933 HIXHAELSOPEWFT-UHFFFAOYSA-N 350.441 3.845 0 1 FHAF O=C(Nc1cc(F)ccc1F)c1cn2cc(-c3ccccn3)ccc2n1 141164879 FKTZTLJVZHRMME-UHFFFAOYSA-N 350.328 3.927 0 1 FHAF COc1ccc2c(OCc3nnc4ccc(-c5ccco5)nn34)ccnc2c1 62154040 GQWWLPVCCXCECH-UHFFFAOYSA-N 373.372 3.520 0 1 FHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356744515 NPRCUKSJBBVTGN-SCMUXVNPSA-N 362.466 3.927 0 1 FHAF C[C]1C=CC(C)=CN1CC(=O)c1ccc(I)cc1 2356813655 XIIFZTGPDNIJOA-UHFFFAOYSA-N 352.195 3.801 0 1 FHAF C[C@H](C(=O)O)C1=C([C@]2(C)CCCC(C)(C)C2)CC[C@@H](COC=O)C1=O 14677462 MXRAMNMYWHQKPO-PJSUUKDQSA-N 350.455 3.762 0 1 FHAF biogenic O=C(Nc1ccc(NC(=O)c2cncs2)c(Cl)c1)c1ccccn1 82153857 ANIACALCXMZPED-UHFFFAOYSA-N 358.810 3.696 0 1 FHAF COc1ncc(C(=O)c2cccc(Oc3ccccc3)c2)c(O)c1OC 49048321 DGOJEGJTGUGONN-UHFFFAOYSA-N 351.358 3.828 0 1 FHAF COCCNC(=O)c1ccc(-c2ccc3c(C)cc(=O)[nH]c3c2)c(Cl)c1 95921059 BENWFAKBOBCZKA-UHFFFAOYSA-N 370.836 3.533 0 1 FHAF in-vitro CC(C)N1CCC(NC2CCN(Cc3cc4cc(F)ccc4[nH]3)CC2)CC1 618017338 ORMSTYVNPOCMCB-UHFFFAOYSA-N 372.532 3.734 0 1 FHAF CCOC(=O)[C@@H](CC)Cc1ccc(C(=O)NCc2ccc(OC)cc2)cc1 653807484 FDZDXLUVLSJIRY-SFHVURJKSA-N 369.461 3.757 0 1 FHAF CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)cc1 587638472 QKFASKDPKRAMGA-UHFFFAOYSA-N 366.373 3.604 0 1 FHAF Cc1cc(Br)cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c12 587094694 SYROOORDFGEMRJ-SSDOTTSWSA-N 364.165 3.763 0 1 FHAF Cc1ccc(CSCCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 586971834 YRVIMFZYQKEUGU-UHFFFAOYSA-N 362.476 3.594 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4cccc(C)c4)c1)[C@@H](C2)C3=O 587431680 LQCRZUCBFFXCTN-PGRDOPGGSA-N 360.413 3.852 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(N)cc32)N1 587746416 MWGHBWVLEXQXTA-XTZNXHDOSA-N 361.258 3.894 0 1 FHAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587568334 BPPWGPSHGWRHEG-FXAWDEMLSA-N 351.358 3.754 0 1 FHAF Cc1nsc(N)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587860117 ZYYBJIPQIWCHOT-KWKYVRJSSA-N 370.291 3.733 0 1 FHAF Cc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1F 587117551 DHBJZVOWTDUXMO-UHFFFAOYSA-N 365.290 3.929 0 1 FHAF CC(=O)O[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351286 UCNSXABOCWQGGB-PEECDGGASA-N 358.365 3.601 0 1 FHAF COC(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587077751 ZFYICLIFQONJGY-MRXNPFEDSA-N 355.781 3.620 0 1 FHAF Cc1nc2[nH]c(-c3cc(=N)[nH]c4ccccc34)nc2cc1Br 587253985 OIBAWDKNFMLXNN-UHFFFAOYSA-N 354.211 3.657 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CCN(C)CC2)N1 587765057 BOZXQPYTMCVDMQ-APPDUMDISA-N 355.295 3.895 0 1 FHAF O=C(Cc1ccccc1)NCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587229050 ZJSPJKAJIZJTFW-UHFFFAOYSA-N 365.330 3.622 0 1 FHAF COc1ncc(F)cc1-c1nc2ncc(Br)c(Cl)c2[nH]1 587176362 QCZHRDRWYMDMOV-UHFFFAOYSA-N 357.570 3.584 0 1 FHAF CCOC(=O)Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587777511 ORXJKFGSDKDSMP-UHFFFAOYSA-N 369.259 3.856 0 1 FHAF CCCN(CCc1cccc(N)c1)C1Cc2cc(OC)c(OC)cc2C1 13471436 OAIKERJNHAYFDQ-UHFFFAOYSA-N 354.494 3.708 0 1 FHAF Cc1oc(-c2ccccc2)nc1COc1cc(F)cc(CN(O)C(N)=O)c1 13604036 WPQNONOBXFGWFI-UHFFFAOYSA-N 371.368 3.638 0 1 FHAF CN(CCCN(C)Cc1ccc(Cl)c(Cl)c1)CCN1CCCC1 19365726 CTLYRQFCRXEEEL-UHFFFAOYSA-N 358.357 3.843 0 1 FHAF O=C1c2ccccc2CN1[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169324219 JPQSWGVSSPEBQB-IERDGZPVSA-N 357.457 3.886 0 1 FHAF CC1=NC(=O)N[C@@H](c2ccc(O)cc2)[C@H]1C(=O)OC1CCCCCCC1 169687887 MRFXDWPEGGXWFA-ROUUACIJSA-N 358.438 3.890 0 1 FHAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2cccc(Cl)c2)nn1 203462409 OZMDYXQOLAVGIY-UHFFFAOYSA-N 370.840 3.748 0 3 FHAF CC[C@@H](C)[C@H](NC(=O)/C=C/C1=C(Cl)c2ccccc2CC1)C(=O)OC 1857618882 IRLMTARDWUMXRL-NEPDHLNTSA-N 361.869 3.843 0 1 FHAF CC1(C)[C@@H](c2ccc(F)cc2)[C@H]1C(=O)NCc1noc(-c2ccco2)n1 1857641545 UEHKZKUTIYBPIQ-HOTGVXAUSA-N 355.369 3.525 0 1 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4213258 YUUMXWVTUXKIMX-JCGIZDLHSA-N 365.543 3.828 0 1 FHAF Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Cl)c(F)c1 28951876 LMSDTIYFINPURL-UHFFFAOYSA-N 354.772 3.672 0 1 FHAF CC(C)CN[C@@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2NC1(C)C 28121244 NQLUOSOVMGIYIQ-HXUWFJFHSA-N 354.450 3.778 0 1 FHAF COc1ccc([C@H]2[C@H]3CCc4c(OC)cccc4C3=NN2C(C)=O)cc1 28636770 ZDSAECUODINFSM-RXVVDRJESA-N 350.418 3.574 0 1 FHAF CO[C@@H]([C@@H](C)C=CC(C)=CC(N)=O)[C@@H](C)[C@@H](C=Cc1ccccc1)OC 2356699210 JCMQQWWEDGWMJB-RUOSDFBUSA-N 357.494 3.990 0 1 FHAF CO[C@@H]1C=C(C(=O)O)[C@]2(C)CC[C@H](C)[C@@](C)(CCC3=CCOC3=O)[C@H]2C1 2356738126 YWJHZGOKKDDVHY-ZHAWEFGCSA-N 362.466 3.738 0 1 FHAF CNC(=O)c1cccc(CSc2cnc(Nc3ccccn3)s2)c1 36338814 BZEUTWQSCBJYLS-UHFFFAOYSA-N 356.476 3.934 0 1 FHAF C/C=C/C=C1\C(=O)Oc2cc(Br)c(O)c(Br)c21 34239374 OCSJCPHDLQCWEI-ZPYFUIHZSA-N 360.001 3.796 0 1 FHAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cncnc3)cc2n1 221615105 YSZAXBGUMAMQQB-UHFFFAOYSA-N 372.403 3.715 0 1 FHAF CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 40763165 PKRZILVZTYDKNH-UHFFFAOYSA-N 363.822 3.708 0 1 FHAF O=C(Cc1ccc(F)cc1)N1CC[C@H]1c1nc(-c2cccc(F)c2)no1 95574744 GIBMGWTWPPGMRU-INIZCTEOSA-N 355.344 3.531 0 1 FHAF Cc1ccncc1-c1ccc2cc(NC(=O)C3CCN(C)CC3)ncc2c1 144358476 GOIIIHTXGPQDCW-UHFFFAOYSA-N 360.461 3.886 0 1 FHAF COc1cccc(-c2nccnc2C2CN(c3ccc4cccnc4n3)C2)c1 140135757 KNNKWZHTBQEPEZ-UHFFFAOYSA-N 369.428 3.699 0 1 FHAF Cc1cc(Nc2ccc(F)cc2)n(-c2nc(O)cc(C(F)(F)F)n2)n1 2382223593 LXLJBGCCFDKKCV-UHFFFAOYSA-N 353.279 3.578 0 1 FHAF Cc1cc(-c2cnn3c2C(=O)N(c2ccc([C@@H](C)O)cc2)C[C@@H]3C)ccn1 299857545 FKQDFIOIDWQKRT-LSDHHAIUSA-N 362.433 3.528 0 1 FHAF O=C1c2ccccc2C(=O)N1Cc1ccc(CNCc2ccccc2F)cc1 299854388 XSXLOXFMYPJYHQ-UHFFFAOYSA-N 374.415 3.912 0 1 FHAF Brc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Br 586916917 PJALRZKGLRXREK-UHFFFAOYSA-N 372.060 3.982 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1sc3ncnn3c1C)CC2=O 587497497 CLSAQWHOTNQJLY-SFHVURJKSA-N 357.435 3.638 0 1 FHAF CCCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2[nH]c(=N)oc12 587392462 ZPSSFUSICFRYNO-MRXNPFEDSA-N 367.405 3.626 0 1 FHAF Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)c1C 587752153 CDTBGISTAUECMK-GLEZIHRCSA-N 352.251 3.562 0 1 FHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)n1 587079075 GNHKWKVAVQPXDK-CYBMUJFWSA-N 372.904 3.803 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1nccn1CC(F)(F)F)CC2=O 587461620 NPBDDQOQVBXTMG-CQSZACIVSA-N 354.328 3.810 0 1 FHAF CC(C)c1cc2c(O)nc(O)nc2nc1-c1cccc(Br)c1 587367551 YKOLHQKWNHHWDA-UHFFFAOYSA-N 360.211 3.989 0 1 FHAF COc1c(F)ccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1N 587132867 JKOLAROVLMZTLZ-UHFFFAOYSA-N 354.154 3.861 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cccnc32)N1 587778251 LWEHVQKUMGSRSJ-QGHHPUGFSA-N 363.230 3.544 0 1 FHAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(CCO)cc2[nH]1 587166837 BOSQYFIXUILUEO-GOSISDBHSA-N 368.412 3.606 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(O)(c3cccc(F)c3)CC1)O2 587386020 WXGBGHATQWADOM-UHFFFAOYSA-N 355.409 3.882 0 1 FHAF Cn1ccnc1[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511133 DROJMEIPAFHADT-QFIPXVFZSA-N 359.429 3.603 0 1 FHAF Cc1nc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587552071 NCHGULQUAUWEND-QFBILLFUSA-N 368.776 3.847 0 1 FHAF N[C@@H]1CC[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)C1 587247335 ZBWSIPVTMKZXHK-NKWVEPMBSA-N 359.065 3.683 0 1 FHAF COc1cccnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587767310 AIYNRXZMJWYLAJ-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF CN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]2CCC[C@H]21 587587409 MSIFROMZKLFJTN-CKKDKOFSSA-N 365.429 3.597 0 1 FHAF CC(=O)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815647 OHCCXHQYCIZBJY-ADLMAVQZSA-N 362.242 3.955 0 1 FHAF Oc1ncc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1Cl 961614260 JVIZDNADDOFYBW-AWEZNQCLSA-N 365.658 3.971 0 1 FHAF CC1=CC2(C=C(C)N1c1ccc(C(=O)O)cc1)NCCc1ccc(O)cc12 963340290 GJPOQGVBRFCFRA-UHFFFAOYSA-N 362.429 3.759 0 1 FHAF Cc1ccc2nc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)[nH]c2c1 962732291 ZBZNFOVSMSHAEJ-HZPDHXFCSA-N 359.351 3.606 0 1 FHAF CC(C)c1nn(C)c2c1[C@H](c1ccc(F)c(OC(F)(F)F)c1)NCC2 962923072 URJWRUJXHBXJFF-INIZCTEOSA-N 357.351 3.816 0 1 FHAF COC(=O)[C@]1(C)CCCC2=C1CC[C@@H](C)[C@]2(C)CCC1=CC(=O)O[C@H]1O 1772651140 UWXNWFDPGKUYAW-MFILLYDJSA-N 362.466 3.664 0 1 FHAF C[S@@](=O)c1ccc([C@H](Nc2cccnc2)C(=O)c2ccc(F)cc2)cc1 12352406 CNYVDGNVBLSXLF-SIBVEZHUSA-N 368.433 3.994 0 1 FHAF O=C(CCCCCN1CCN(c2ccccc2)CC1)c1ccccc1O 13493249 LKLABFZLXIKXEN-UHFFFAOYSA-N 352.478 3.958 0 1 FHAF O=c1[nH]nc(-c2ccccc2C(F)(F)F)n1-c1cc(Cl)ccc1O 13558786 RBHWFKWLMBDJIA-UHFFFAOYSA-N 355.703 3.605 0 1 FHAF O=C(O)[C@H]1C[C@@H](C2=CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 13914947 HHTLVPAQTPCANE-SJLPKXTDSA-N 368.820 3.666 0 1 FHAF CCN(C)Cc1ccc([C@H]2CC(=O)c3cc(OC)c(OC)cc3O2)cc1 1857657053 UHRHBYXYOQQIDG-GOSISDBHSA-N 355.434 3.862 0 1 FHAF Cc1cc(C)n2c(Br)c(CN3C[C@H](C)C[C@@H](C)C3)nc2n1 3354841 IBGJMJPNHBQYAM-GHMZBOCLSA-N 351.292 3.587 0 3 FHAF O=C1CC[C@H]([C@H]2c3ccccc3CCN2C(=O)OCc2ccccc2)O1 3994218 FVDMDGICJYHMRB-UYAOXDASSA-N 351.402 3.628 0 1 FHAF COc1ccc(CNc2ncncc2-c2ccc3c(c2)OCO3)c(OC)c1 4267148 WCYKQPXORCKWCA-UHFFFAOYSA-N 365.389 3.502 0 1 FHAF COc1cccc2c1N(C(C)=O)[C@@]13CCC[C@@]4(CCCN5CC[C@@]21[C@@H]54)CC3 2356341521 QUJGDBXRYRHXEW-AFXVXQJMSA-N 366.505 3.871 0 1 FHAF COC(=O)CCCCCCCO[C@H](Cn1cncn1)c1ccc(F)cc1 103273013 LRJPAROHZMEJKV-GOSISDBHSA-N 363.433 3.689 0 1 FHAF COc1ccc(CNC[C@@H]2CCCN(Cc3ccc(OC)cc3)C2)cc1 103279745 ALTAZYOFJORWEF-FQEVSTJZSA-N 354.494 3.706 0 1 FHAF COc1cc(C)c2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)C(=O)N2 28884317 YJOCGHWNWZBQSJ-UHFFFAOYSA-N 361.397 3.701 0 1 FHAF O=C(CCC(c1ccc(F)cc1)c1ccc(F)cc1)NC1CCNCC1 28461331 QUCOLKNYEPAZDJ-UHFFFAOYSA-N 358.432 3.745 0 1 FHAF CCCCCC(=O)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccccc1 2356484020 HHDYLMGNZOFWPD-SFTDATJTSA-N 370.401 3.906 0 1 FHAF O=c1[nH]c2c(-c3ccccc3Cl)ncnc2n1-c1c(F)cccc1F 28644743 OGGGFMZSNXIFQY-UHFFFAOYSA-N 358.735 3.707 0 1 FHAF CC[C@@H]1c2ccccc2CN1CNC(=O)c1cc(Cl)c(N)cc1OC 28235558 AWWIFOAEXIJMIZ-QGZVFWFLSA-N 359.857 3.585 0 1 FHAF Nc1cccc(-c2ccc3oc(=O)c4[nH]c(=O)n(-c5ccccc5)c4c3c2)c1 210278550 ABVTUVYNRNNWKC-UHFFFAOYSA-N 369.380 3.674 0 1 FHAF O=C(O)[C@@H](CC(=O)C1(S)CCCC1)Cc1ccc(Br)cc1 219763249 DECYMCRETQQYFY-GFCCVEGCSA-N 371.296 3.894 0 1 FHAF CNCC(C)(C)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 45201943 NMBPQRBUHVFQLX-UHFFFAOYSA-N 356.857 3.995 0 1 FHAF O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82195434 KRTAJWLKAOJMBX-ZDUSSCGKSA-N 373.375 3.597 0 1 FHAF Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2C(=O)NCC2CC2)c1 82146127 CKSDUSIEACEFRI-UHFFFAOYSA-N 364.493 3.828 0 1 FHAF COc1ccccc1-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1 82150896 JWYIPEYMDGWPOT-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF CC(C)(C)[C@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1 148764998 ZAIPGFQJHPUGIG-MSOLQXFVSA-N 353.418 3.920 0 1 FHAF COc1cccc(N(C)S(=O)(=O)c2ccc(-c3cccc(O)c3)cc2)c1 96935503 KQJBQVYEJBYXHB-UHFFFAOYSA-N 369.442 3.893 0 1 FHAF COC(=O)c1sc2ncccc2c1Nc1cc(OC)c(OC)c(OC)c1 95590336 LKOZLXUTYGIAEQ-UHFFFAOYSA-N 374.418 3.852 0 1 FHAF CN(C)[C@H]1C[C@H](c2c[nH]c3ccc(CC(=O)NCc4ccccc4)cc32)C1 253839110 HAELKXOQQMRYKK-WGSAOQKQSA-N 361.489 3.834 0 1 FHAF COc1ccc(-c2cnc3snc(NC(=O)C4CC4)c3c2)cc1OC 299820500 HKPRVPBFEHZDFJ-UHFFFAOYSA-N 355.419 3.724 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]1NC(=O)OC(C)(C)C)CC2=O 587471887 WJWIRFIFRUHRDN-OXQOHEQNSA-N 361.438 3.736 0 1 FHAF CN(C)C(=O)C[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104673 UNGWYMUFDBXCLN-ZDUSSCGKSA-N 356.425 3.954 0 1 FHAF C[C@]1(C[C@H]2CCCCN2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596244 PWXONZJPSOEAAG-YMTYPPQLSA-N 353.418 3.645 0 1 FHAF COc1cccc(CN2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)c1 587397291 ZJTWQRNABSBIOX-UHFFFAOYSA-N 366.461 3.586 0 1 FHAF CCOC(=O)[C@H](OC(=O)c1ccccc1)c1cc2c3c(cccc3n1)CC2 587211732 KEPZAQWGIKOCDK-HXUWFJFHSA-N 361.397 3.795 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](c1nc2c(Cl)ncnc2[nH]1)C1CCCC1 587223645 CWZGWKKLVLHOOC-SNVBAGLBSA-N 351.838 3.762 0 1 FHAF Cc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1 586997997 FZVJQFJVVAYLPH-HWKANZROSA-N 358.195 3.928 0 1 FHAF CCOC(=O)C(F)(F)[C@@H]1CCC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587383286 VMEWJDDYESDAMX-XIKOKIGWSA-N 367.392 3.670 0 1 FHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 587785360 NOMQLABJTBLSOH-NEPJUHHUSA-N 372.222 3.664 0 1 FHAF CC[C@@]1(C2CCNCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792212 HEBPHEAIJZTKTG-GTNSWQLSSA-N 355.295 3.727 0 1 FHAF Nc1ccnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 587116534 GLIFTJBJPRJIGF-UHFFFAOYSA-N 370.766 3.529 0 1 FHAF COc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587119834 HVOUYVLSHPLMTJ-UHFFFAOYSA-N 350.344 3.714 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H]3CC[C@H]2N3)[C@H]1c1ccc(F)cc1 587353436 ZGPGMWQREAVGAJ-FWQLUELVSA-N 353.393 3.543 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCc4cc(OC)c(OC)cc41)[C@@H](C2)C3=O 587445195 ZTGYKFYKZYGMAW-KSFYIVLOSA-N 366.413 3.692 0 1 FHAF COCc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587850973 GZGCCIMSSURTHJ-VXJOIVPMSA-N 371.275 3.815 0 1 FHAF C[C@@]1(c2csc(=N)[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379497 YMOROMJEKLQWHA-APWZRJJASA-N 370.405 3.675 0 1 FHAF CC[C@H]1OCCC[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 586910224 HIZSBFCUPDKSND-ZWNOBZJWSA-N 367.243 3.785 0 1 FHAF CN1CCc2cnn(C)c2[C@]1(c1ccccc1)c1cc(F)c(F)c(F)c1 963956058 UOJLKOJSAAVGPP-FQEVSTJZSA-N 357.379 3.617 0 1 FHAF Cc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)N1CCOCC1 1772577631 IXAXEXIXARPUQP-UHFFFAOYSA-N 357.262 3.898 0 1 FHAF O=C(NCc1ccc(F)c(F)c1)[C@@H]1CCCN(c2nc3ccccc3o2)C1 201461219 YQBSIIGYYLXUGF-CQSZACIVSA-N 371.387 3.639 0 3 FHAF CONC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1 1857538872 DXEOEBMNGXDQOK-UHFFFAOYSA-N 357.450 3.780 0 1 FHAF O=C(O)CCN1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1 1857581287 DCZJTSMCCLMUNU-UHFFFAOYSA-N 351.406 3.544 0 1 FHAF Cn1cc(Nc2ccc(C3CC3)c(NCCCNC(=O)C3CCC3)c2)cn1 1857611315 MEGXTIMYQWZJNA-UHFFFAOYSA-N 367.497 3.759 0 1 FHAF CCCCn1c(Sc2cccc(OC)c2)c(C)c2c(N)[nH]c(=N)nc21 1857757742 HDNKCXNGZLCJHM-UHFFFAOYSA-N 357.483 3.694 0 1 FHAF COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N(C)C 772797 CODYHEIRNVEANS-AEFFLSMTSA-N 358.825 3.529 0 1 FHAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 2356319196 MFBMITFJMXZMIP-NLWGTHIKSA-N 360.542 3.816 0 1 FHAF CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)c1 4211871 JAZYWZJANYIPBN-MJGOQNOKSA-N 372.852 3.919 0 1 FHAF O=C([C@H]1C[C@@H]2CC[C@@H]1C2)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 101540366 PKEODQBLMLQVCV-HSMVNMDESA-N 357.841 3.752 0 1 FHAF CNCc1cc(-c2cccc(F)c2)n(S(=O)(=O)c2ccc(C)cc2)c1 115354546 LSIUAPBUPXJZIT-UHFFFAOYSA-N 358.438 3.559 0 1 FHAF CCCCNC(=O)[C@]1(C)CCN1C(=O)c1cc(-c2ccccc2)cs1 61928375 ZOSWNRJVZFGAJB-FQEVSTJZSA-N 356.491 3.936 0 3 FHAF CCN1CC(CC)(CC)OC(=O)[C@H]1CC(=O)Nc1ccc(C(C)C)cc1 117781727 YMFPQRCBNPEESG-GOSISDBHSA-N 360.498 3.945 0 1 FHAF CSc1nn(-c2ccccc2)c2cc(NC(=O)[C@H]3CCCNC3)ccc12 72177375 CIYHEMXGQAGSSF-AWEZNQCLSA-N 366.490 3.686 0 1 FHAF CCCCNc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1 43012325 DMAQGXIFTLZFRD-UHFFFAOYSA-N 373.400 3.778 0 1 FHAF CC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@@H]1c1ccccc1)[C@@]32C 195469077 ZXKPEKZKEYGWNX-GHIJRLNRSA-N 360.457 3.904 0 1 FHAF NC(=O)c1cccc2[nH]c(-c3ccc(-c4cn5ccccc5n4)cc3)nc12 45291556 PFOGOBQDGBABTC-UHFFFAOYSA-N 353.385 3.644 0 1 FHAF COCCn1c(-c2nc(-c3ccc(F)cc3)cnc2N)nc2ccccc21 45334325 NVMLQLIGFOFKAH-UHFFFAOYSA-N 363.396 3.528 0 1 FHAF NC1(Cc2cccc3ccccc23)CCN(c2ncnc3[nH]ccc23)CC1 45356589 CMETUTWBZBKODJ-UHFFFAOYSA-N 357.461 3.652 0 1 FHAF CC(C)Nc1nnc(-c2ccc3[nH]cc(NC(=O)c4ccncc4)c3c2)o1 221731540 REDBALFMTAGWMV-UHFFFAOYSA-N 362.393 3.686 0 1 FHAF Cc1ccccc1C(=O)N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199716137 PMEBGFRTHJDZGC-IBGZPJMESA-N 370.880 3.960 0 3 FHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc3[nH]ccc3c2)n1 142079987 MHOMYGMYJSCKJN-SWLSCSKDSA-N 366.425 3.507 0 1 FHAF CC(=O)O[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1OC(C)=O 238748170 OSRHRAOBVGHGFZ-HJEMKOJISA-N 372.461 3.722 0 1 FHAF Cc1cc(C)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587655916 DLEMMYDPUXYLBV-UHFFFAOYSA-N 364.355 3.738 0 1 FHAF CC[C@@]1(c2cnn(C)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583241 UWEZFKJJPYGSDF-RXVVDRJESA-N 364.401 3.701 0 1 FHAF COC(=O)c1occc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587826957 HGARZABJUYPNEV-XLKFXECMSA-N 368.202 3.591 0 1 FHAF O=C1C[C@]2(CCCC[C@H]2Cn2cncn2)Oc2c1ccc1c2CCCC1 587516883 FWDUQQZUABSGCE-KKSFZXQISA-N 351.450 3.751 0 1 FHAF O=C(O)CC[C@@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516517 XSXKNXOBDALLJY-NRFANRHFSA-N 351.402 3.686 0 1 FHAF CCCCCOc1cc2nc(CC(=O)N(C)C)[nH]c2cc1Br 587197132 JNSYPEXHBWXCFL-UHFFFAOYSA-N 368.275 3.525 0 1 FHAF CN(C)c1ncccc1-c1nc2c(Cl)ncc(Br)c2[nH]1 587195838 KVDDNCUSEIBPOI-UHFFFAOYSA-N 352.623 3.502 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3cc(F)ccc31)CC2=O 587472658 UCUREQXVDVYPFR-HXUWFJFHSA-N 356.349 3.654 0 1 FHAF O=C1CC[C@@H]2C[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601225 CIKKJCFEOQDVKC-LLQHVWOFSA-N 364.397 3.872 0 1 FHAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232412 UBLUDVLYSKBXBO-UHFFFAOYSA-N 374.444 3.815 0 1 FHAF COc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2n1 587017292 KGODFLXNZDZWHB-UHFFFAOYSA-N 374.429 3.804 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1F 587567326 GLOZXGAHXLWDPV-UZLBHIALSA-N 352.317 3.940 0 1 FHAF O=C(O)c1ccccc1/C=C\c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586879354 LPTDFXLNKLASNY-WAYWQWQTSA-N 368.702 3.845 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C)N)N1 587750898 VGEYLTAWOUNKTE-SEDUGSJDSA-N 363.274 3.713 0 1 FHAF CC(C)(C)c1noc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587588585 TYRBIJDFLUCUEK-WMLDXEAASA-N 366.373 3.776 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cl)c2ccccc21 587463365 YBESUXIEWFIGMY-IBGZPJMESA-N 357.793 3.706 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]1[C@@H]53)[C@@H]42 587602258 HGCIWKZDORRHBM-AGGNHYSNSA-N 372.420 3.870 0 1 FHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587174903 NVDYOXSRSJAOFF-SECBINFHSA-N 366.293 3.982 0 1 FHAF CC[C@@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1C 587355905 GVZMMTXUGKNCRZ-VWLQGTLSSA-N 370.376 3.601 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2CC2CC2)N1 587762106 XERYDOFZAVVGFO-BTDLBPIBSA-N 364.262 3.818 0 1 FHAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)NCc1ccco1 587103452 HFEQITMLKRSWKN-UHFFFAOYSA-N 368.392 3.898 0 1 FHAF CCCn1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962996062 QBKWEBRVDGBJEV-BBRMVZONSA-N 354.784 3.518 0 1 FHAF COC(=O)c1cc2occc2n1CC(=O)c1cccc(Br)c1 1772656892 FPDAZUGQAJLLCY-UHFFFAOYSA-N 362.179 3.666 0 1 FHAF O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)NCc1ccccc1 1772647679 BNUZRPHSKHYDOZ-UHFFFAOYSA-N 354.469 3.787 0 1 FHAF O=c1c(Cc2ccccc2)nnc2n(Cc3ccccc3)c3ccccc3n12 13675614 IMMUTHXZVPXQKX-UHFFFAOYSA-N 366.424 3.683 0 1 FHAF O=C([C@@H]1C2CCC(CC2)N1C(=O)C1CC(c2ccccc2)C1)N1CCCC1 13756546 KMLGDAMISZWREF-ALAWOQLPSA-N 366.505 3.572 0 1 FHAF OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1CCc1ccccc1)[C@@H]23 169333642 RUBVWMWOYNGOBJ-ODAXIHTASA-N 356.554 3.567 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C4CC4)n3)C2)cc1 169709225 ZRHHGZUAFXLPEV-MGPUTAFESA-N 365.477 3.814 0 1 FHAF CCOCCCNC(=O)c1csc(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1857534028 GOAOXZSTWSOCOS-UHFFFAOYSA-N 374.293 3.772 0 1 FHAF c1cn(-c2ccc(Oc3ccnc(Oc4ccc5c(c4)OCO5)n3)cc2)cn1 593138 VEWOKEGQNVXJDK-UHFFFAOYSA-N 374.356 3.976 0 1 FHAF O=C1NC(=S)N/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)s1 103224317 SPELMFVAZTUIRN-YRNVUSSQSA-N 354.378 3.779 0 1 FHAF Cc1ccc([C@@H](O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 116026012 SWCQWVKIKTXEAM-HXUWFJFHSA-N 357.413 3.719 0 1 FHAF COC(=O)c1ccc(CSc2n[nH]c3c4ccccc4nc-3n2)cc1 100637343 CLSZFUBSIQEEHA-UHFFFAOYSA-N 350.403 3.537 0 1 FHAF COc1cccc(Sc2ncnc3c(OC)c(OC)c(OC)cc23)c1 28819717 QVUJAOSGFRFOJW-UHFFFAOYSA-N 358.419 3.815 0 1 FHAF c1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)cc1 64559057 LRCFRJREBUCJCQ-UHFFFAOYSA-N 372.432 3.600 0 1 FHAF COc1cc(C)c2nc3[nH]nc(C)c3c(NCCC3CCOCC3)c2c1 73196881 QOJRQCFGSFHOLY-UHFFFAOYSA-N 354.454 3.965 0 1 FHAF COc1cc(F)c2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2c1 73165615 DYFFQXLHZJUSTD-UHFFFAOYSA-N 353.401 3.664 0 1 FHAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3cc4ccc(C)cc4nc3o2)C1 34855150 YBDXUCLYHAVWGS-OAHLLOKOSA-N 366.417 3.705 0 1 FHAF Cc1c(CCNC(=O)CCCN2C[C@@H](C)C[C@H](C)C2)c2ccccc2n1C 45228153 QUUGHTNWRRZCIE-ROUUACIJSA-N 369.553 3.904 0 1 FHAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(C)c(C)c2)cc1OC 1911585912 AHEBGXZMIWEGKD-RBUKOAKNSA-N 354.446 3.895 0 1 FHAF Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C)C[C@H]34)cc2)cc1 95874475 RNZDERBTNLUMER-DNVJHFABSA-N 350.506 3.516 0 1 FHAF CCCOc1cccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1 142311761 GSFXZACUIXDVPK-INIZCTEOSA-N 368.477 3.940 0 1 FHAF CCCSC(=O)N1C[C@@H]([C@@H](C)OC(=O)CCCc2ccccc2)C1=O 95596901 IRXUABHQJLMTQC-ZBFHGGJFSA-N 363.479 3.663 0 1 FHAF CC1(C)C=Cc2c(ccc3c2OC[C@@H]2c4c(CO)cc(O)cc4O[C@@H]32)O1 95486356 FZLIKSWBUHMHRZ-QRWLVFNGSA-N 352.386 3.678 0 1 FHAF biogenic,in-vitro O=c1cc(C(F)(F)F)n(C/C=C/CN2CCCC2)c2ccc(F)cc12 96909948 LYZMJTKNLHYBPK-ONEGZZNKSA-N 354.347 3.811 0 1 FHAF Cc1ccc2c(c1)c(C(=O)N1CCN(C)CC1)cn2CC1CCCCC1 299835529 WYKONUHKIAZPJU-UHFFFAOYSA-N 353.510 3.918 0 1 FHAF CC(C)(C)OC(=O)N[C@H]1CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511565 LROCSMOFDXFWJQ-UWJYYQICSA-N 357.450 3.957 0 1 FHAF CC(=O)N[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 586998269 ZMOKKZLRJIIRRO-AWEZNQCLSA-N 356.425 3.748 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(N)cccc32)N1 587746385 MUMNEFXEWCEGSY-XTZNXHDOSA-N 361.258 3.894 0 1 FHAF COc1cc(OC)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2c1 587081212 KVSRSLQYCRTLRF-UHFFFAOYSA-N 359.813 3.834 0 1 FHAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cccnc3[nH]2)cc1 586950208 RROJPFKLPDPBDZ-UHFFFAOYSA-N 364.430 3.734 0 1 FHAF CCOC(=O)[C@@]1(c2cc(C)ccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444145 YKWDADFDAPLWQF-VGSWGCGISA-N 366.413 3.518 0 1 FHAF Cc1c(Br)cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1C 586924792 VNINVGPMSMLXQQ-UHFFFAOYSA-N 371.300 3.800 0 1 FHAF Cn1nccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336756 ALKPHABETPTELN-UYAOXDASSA-N 352.365 3.539 0 1 FHAF Cc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587659762 CMCMCRIPFOMZNQ-UHFFFAOYSA-N 359.360 3.595 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N[C@H](C)c1ccccc1)O2 587386398 ITRMVLWOJGWXNA-SZNDQCEHSA-N 352.434 3.569 0 1 FHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 587786457 QQPJQIZLZZOQDC-RYUDHWBXSA-N 361.323 3.920 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(C)nc4ccc(Cl)cn14)[C@@H](C2)C3=O 587422360 UCERUTVLTWNXQY-DJJJIMSYSA-N 354.793 3.793 0 1 FHAF COc1ccc(-c2cccc(-c3nc4cnnc(O)c4[nH]3)c2C)c(OC)c1 587930717 UOVOEUIQMQKCQX-UHFFFAOYSA-N 362.389 3.718 0 1 FHAF C[C@@H]1[C@H](CC(=O)O)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587605081 XEDZMYNKZAZEQM-VXJLSDCPSA-N 368.385 3.613 0 1 FHAF Oc1ccc(C2(c3nc4c(F)c(F)c(F)c(F)c4[nH]3)CCOCC2)cc1 586914137 ZWZVOKLJGKOADX-UHFFFAOYSA-N 366.314 3.921 0 1 FHAF CCOC(=O)c1ccccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439427 ALLKIXOHDYXRLD-IERDGZPVSA-N 352.386 3.535 0 1 FHAF COc1ccc(CCCc2nc3cc4c(cc3[nH]2)OCCO4)cc1OC 587926425 ZCYCOWZILCYGJP-UHFFFAOYSA-N 354.406 3.527 0 1 FHAF Cc1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587774122 LPQZUKBWERGPEN-CQLKUDPESA-N 364.262 3.927 0 1 FHAF COc1ccc2c(c1)[C@H](c1cc(OC)c(OC)c(OC)c1)N[C@@H]1CC[C@@H]21 962990892 CHFKUMLJAMFOFQ-VPWXQRGCSA-N 355.434 3.660 0 1 FHAF Cc1nccc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)n1 962959056 QEUTVDBYJACWEC-QGZVFWFLSA-N 363.383 3.545 0 1 FHAF CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(Cl)c1 146756251 NCCRYWGVCKYSTJ-UHFFFAOYSA-N 357.797 3.760 0 1 FHAF COC(=O)CC[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 13558450 HSWFNBDKEAQDFS-BGJLUCPFSA-N 358.478 3.789 0 1 FHAF O=C(O)[C@H]1CCCN(CCO[C@@H](c2ccc(Cl)cc2)c2ccco2)C1 13729441 XKMHAVSWNHJTSH-YJBOKZPZSA-N 363.841 3.836 0 1 FHAF CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)CCCC1 13755845 JLBSDRYRTCTTLX-SFHVURJKSA-N 358.482 3.874 0 1 FHAF C[C@@H](c1ccc(-c2cc(F)cc(F)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948231 KGPJKMVHCVGLJI-UVIMBBFXSA-N 362.395 3.633 0 1 FHAF Cc1ccc(OC(=O)Nc2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1 1857746281 NMCHJZIAQALUSF-AWEZNQCLSA-N 365.433 3.940 0 1 FHAF CCC[n+]1cc2cc(OC)c(OC)cc2c2c1-c1cc3c(cc1C2)OCO3 603181 MCCIGYVSELFYFS-UHFFFAOYSA-N 364.421 3.854 0 1 FHAF COc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cncnc32)cc1 4238388 UVBFLTRPPDZPDY-UHFFFAOYSA-N 364.792 3.505 0 1 FHAF COc1cc(N[C@@H](C)CCCN/C(C)=C2\CCOC2=O)c2ncccc2c1 9293860 ADCOUXIGWFEYJP-ZWPWWNDZSA-N 369.465 3.635 0 1 FHAF in-man O=C(CCCC(=O)Oc1ccc(/C=C/[N+](=O)[O-])cc1)Oc1ccc(F)cc1 26187801 HTZFRRGDAGASIC-OUKQBFOZSA-N 373.336 3.754 0 1 FHAF CCCCC(=O)O[C@H]1C=C[C@@]23CCN(C)Cc4ccc(OC)c(c42)O[C@H]3C1 27654782 OXARJAFJUBIMKN-ZJBJCVSYSA-N 371.477 3.591 0 1 FHAF O=C(c1cnn2c1NC(=C1CC1)C=C2C(F)F)N1CCc2ccccc21 102955314 IWLGWKPBGMBXAA-UHFFFAOYSA-N 354.360 3.665 0 1 FHAF COc1ccc([C@@H]2CN(C)Cc3cc(OCCCNC4CC4)ccc32)cc1 28818095 CWKGVKHDADMKBI-QHCPKHFHSA-N 366.505 3.793 0 1 FHAF COc1cccc(NC(=O)Nc2cccn(Cc3cccc(C)c3)c2=O)c1 64528097 SYQWPLPBPDBJDK-UHFFFAOYSA-N 363.417 3.858 0 1 FHAF O=C(CC[C@H](c1ccc(F)cc1)c1ccccn1)NCCCc1c[nH]cn1 26170590 XGZARAUZDBFDBB-LJQANCHMSA-N 366.440 3.605 0 1 FHAF CCc1nc2c(OCc3c(C)noc3C)cccn2c1N(C)C(=O)C(C)C 61896026 QGXWZXLRXFBZTE-UHFFFAOYSA-N 370.453 3.699 0 3 FHAF COc1c(C)cc2c(c1O)C(=O)O[C@H]2c1c(O)ccc2c1OC(C)(C)C=C2 2356827185 HOBJUJAJXSZOAT-LJQANCHMSA-N 368.385 3.859 0 1 FHAF c1cc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)nc(N2CCCC2)c1 72119961 YLHPKBZVQSDZJT-UHFFFAOYSA-N 352.467 3.761 0 1 FHAF CCN1CC[C@@H](N(C)C(=O)c2ccc(-n3c(C)nc4ccccc43)cc2)C1 72122765 UAIOIQTUQDKACX-LJQANCHMSA-N 362.477 3.500 0 1 FHAF CCc1cc(Cl)cc(Cl)c1CC(=O)N[C@@H]1COc2ncccc21 146512356 AENFJUXDIHASKV-OAHLLOKOSA-N 351.233 3.743 0 1 FHAF Cc1ccc([C@H]2SCC(=O)N2c2ccc3c(C)cc(=O)[nH]c3c2)s1 96905441 PMKGQUXFFDZKAI-GOSISDBHSA-N 356.472 3.985 0 1 FHAF NC(=O)O[C@@H](CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1 95579551 WMEZJLVASNMERI-IBGZPJMESA-N 373.884 3.689 0 1 FHAF Nc1ncc(-c2cc([C@H]3CCOC3)n([C@@H]3CCC(F)(F)C3)n2)cc1F 146483618 TXKAZJWITDULGC-CMPLNLGQSA-N 352.360 3.531 0 1 FHAF COc1ccc([C@@H]2c3c(n[nH]c3C)Oc3nc4c(c(N)c32)CCCC4)cc1 299829520 VICUGWSNVWQYIK-QGZVFWFLSA-N 362.433 3.869 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1cnoc1)(c1ccccc1O)CC2=O 587485153 PUAJSULTENSWLU-NRFANRHFSA-N 365.385 3.947 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)on1 587865128 VQINMLMQDFYMCZ-UHFFFAOYSA-N 365.311 3.953 0 1 FHAF CCOC(=O)/C=C(\C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797177 MEVYJURTMMBUBN-HDZKQPLYSA-N 370.262 3.847 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(C(C)C)nn(C)c1N(C)C)CC2=O 587478933 WZGTZGHKORWJHX-KRWDZBQOSA-N 371.481 3.974 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(CC(F)F)c2)N1 587718310 NLJFJHVHPSUHPG-GLEZIHRCSA-N 374.204 3.673 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccc(O)cc2)N1 587836234 ZWZXZOYGPOHFIY-FVMDXXJSSA-N 364.214 3.752 0 1 FHAF CCCn1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587766731 WVTRCWPCKPREEM-HWPZZCPQSA-N 352.251 3.818 0 1 FHAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccccn1)[C@@H](C2)C3=O 587436647 SRTPNAWHVYOBLT-MBSDFSHPSA-N 357.409 3.976 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(OC[C@H]3CO3)cc1)O2 587412323 NDQNHPRQZZAHRF-HTAPYJJXSA-N 367.445 3.712 0 1 FHAF Cc1nn(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)c(C)c1Br 586979440 ZSYNFBQNNCEYMG-UHFFFAOYSA-N 362.275 3.880 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(OC)cc31)CC2=O 587494415 YHPYDPLMWVXTGU-NRFANRHFSA-N 354.402 3.997 0 1 FHAF CCC1(CC)OC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 587610764 QOZCPPHMIMVZCX-MBOZVWFJSA-N 370.401 3.654 0 1 FHAF O=C(O)c1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587004838 ZMLUXEQJXDGXIE-UHFFFAOYSA-N 357.167 3.567 0 1 FHAF O=C1N=CN(c2ccc(Cl)cc2)C12CCN(Cc1ccccc1)CC2 139617718 JAEHRJNISMZWCV-UHFFFAOYSA-N 353.853 3.750 0 1 FHAF CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(SC(C)C)n2c1 1489203 MAHNNHVMAARTAB-LFIBNONCSA-N 366.490 3.595 0 1 FHAF O=c1[nH]c2ccccc2n1C1CCN(Cc2ccn(-c3ccccc3)c2)CC1 13744961 DZKGMYCNIICGIS-UHFFFAOYSA-N 372.472 3.957 0 1 FHAF Cc1nc2cc(-n3ncc(C(=O)c4cccc(Cl)c4)c3N)ccc2[nH]1 150078094 YRQNKOIBSDPYQD-UHFFFAOYSA-N 351.797 3.524 0 1 FHAF OCC[C@@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 53293526 TUFFDFRXRYJTGB-JOCHJYFZSA-N 365.517 3.934 0 1 FHAF O[C@@H]1CCN(Cc2ccc([18F])cc2)C[C@H]1N1CCC(c2ccccc2)CC1 101473819 HPZHSYBCGLDRCT-YRPGOWEVSA-N 367.499 3.641 0 1 FHAF CCC[C@@H](C)Nc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](O)CC2)n1 103242197 GJZCXJLZZFATOM-OAGGEKHMSA-N 355.486 3.855 0 1 FHAF O=S(=O)(c1ccc(F)c(F)c1)n1cc(C2=CCCNC2)c2ccccc21 28526368 SJEXHCXVYRSGOK-UHFFFAOYSA-N 374.412 3.533 0 1 FHAF COc1ccc(-c2snnc2-c2cc(OC)c(OC)c(OC)c2)cc1O 28820900 ZXRCUEZQFREJBD-UHFFFAOYSA-N 374.418 3.612 0 1 FHAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](CC(C)(C)C)C[C@@H]4[C@H](C2)N(C)CC[C@]341 29236071 IKEFFWJSZNGXRT-ZHZMYBLHSA-N 369.505 3.596 0 1 FHAF Oc1cc(O)c2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21 27109086 ADHWXDCGFHSEMV-UGKGYDQZSA-O 372.400 3.996 0 1 FHAF CCC[C@@H](Nc1cncc(-c2ccc(CO)c(OC)c2)n1)c1cccnc1 136949815 JTNSXXKPHMWSSL-GOSISDBHSA-N 364.449 3.993 0 1 FHAF CCCC[C@H](/C=C1/C[C@@](CO)(COC(=O)c2ccccc2C)OC1=O)CC 40423093 WFEVCGXGHAEORJ-HZVIJXRGSA-N 374.477 3.973 0 1 FHAF Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5)n4)CCC3)cc2)cn1 149737368 OZAIDXQEAWYELV-UHFFFAOYSA-N 370.416 3.641 0 1 FHAF COC(=O)/C1=C\C=C(\C(C)C)CCC2=CCC[C@](C)(OC2=O)C(=O)CC1 96282490 SSRWHVBVQPAITB-YJXXDLRASA-N 360.450 3.833 0 1 FHAF CC1(C)CCc2cc(C[C@H]3OC(=O)C(O)=C3c3ccc(O)cc3)ccc2O1 238749439 HPPVVFOROQZDCU-GOSISDBHSA-N 366.413 3.933 0 1 FHAF CCCN1CCN(Cc2ccccc2)C[C@]12COc1cccc(OC)c1C2 96256084 WXEAKHMDZXZNIZ-HSZRJFAPSA-N 366.505 3.597 0 1 FHAF C[C@H](C(=O)c1ccc2c(c1)OCO2)[C@H](C)Cc1cc2c(cc1O)OCO2 40423838 NZZRRNMWPWPQPA-NEPJUHHUSA-N 356.374 3.547 0 1 FHAF biogenic Ic1ccc(OCCCCCn2ccnc2)cc1 299863167 ORCFUAGAPBRSBY-UHFFFAOYSA-N 356.207 3.737 0 1 FHAF O=C1c2ccccc2C(=O)N1Cc1ccc(CNCc2ccccc2)cc1 299853625 NHEZBIVNJZUHDE-UHFFFAOYSA-N 356.425 3.773 0 1 FHAF COc1cc([C@@]2([C@H](C)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587526171 RWQLPQVXFIBKHH-XMHCIUCPSA-N 368.429 3.521 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Cl)ncc2[nH]1 587044094 YZKKIVNMPSVECZ-GFCCVEGCSA-N 365.245 3.920 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 586915729 HCLZXRJVUIFENB-LHSJRXKWSA-N 364.401 3.551 0 1 FHAF COC(=O)Nc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cn1 587245595 WRYGRPQZJLIVEG-UHFFFAOYSA-N 365.162 3.705 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)c(Cl)c2)N1 587700008 UEJHGAOSXPEAOZ-WJWGPLDTSA-N 371.637 3.966 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CCO)cc2)N1 587827074 NERZKIJLGZLWBK-VOJFVSQTSA-N 364.258 3.747 0 1 FHAF CN(C)/C=C/[C@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587536274 TYTIMQDJQCYNJA-WAEYIKQSSA-N 354.475 3.958 0 1 FHAF NC(=O)C12CC3C[C@@H](C1)C1(CC(=O)c4ccc5c(c4O1)CCCC5)[C@@H](C3)C2 587507266 BRBYTGSGUOITDP-KOLZVKHKSA-N 365.473 3.581 0 1 FHAF CC(C)(CC(=O)O)Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587956350 YAPSTAJMVNNAMQ-UHFFFAOYSA-N 351.275 3.655 0 1 FHAF Cc1cc(Cl)ccc1OCCCc1nc2c(S)nc(S)nc2[nH]1 587067227 ZIKAGYSFUDGRJX-UHFFFAOYSA-N 366.899 3.904 0 1 FHAF N=C(N)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914584 WXHVZLXOTAPTFM-UHFFFAOYSA-N 372.384 3.615 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587080292 OMIQCNJZDOCDNU-ZDUSSCGKSA-N 372.787 3.777 0 1 FHAF COc1cc2c3c(c1)O[C@](/C=C(/C)N(C)C)(c1cccs1)[C@@H](C2)C3=O 587450868 LKGZQTWPBJYTKQ-HOEPNZITSA-N 355.459 3.865 0 1 FHAF O=C(Cc1ccc(Cl)cc1)c1nc2nc(Br)ccc2[nH]1 587070895 ILNUDBSSAIMVSA-UHFFFAOYSA-N 350.603 3.799 0 1 FHAF C=C1Nn2c(nc(C)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)S1 587539350 VTFGWBOAHUAJEH-INIZCTEOSA-N 353.447 3.897 0 1 FHAF CCOC(=O)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536316 UJINWYNQNKSTPB-OAHLLOKOSA-N 357.431 3.905 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1coc4cc(C)c(C)cc4c1=O)[C@@H](C2)C3=O 587450172 DVEHPPLEJNJDHI-NYHFZMIOSA-N 362.381 3.907 0 1 FHAF CCOc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587589363 VBNNGODSDADKJB-NQIIRXRSSA-N 363.369 3.889 0 1 FHAF Nc1cccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555305 GGGWSIBKIQSVMI-YLJYHZDGSA-N 351.333 3.816 0 1 FHAF O=Cc1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 586981449 CTGNQESCQFWFEB-UHFFFAOYSA-N 373.206 3.966 0 1 FHAF COc1ccc(Cl)c2c1CCN[C@]2(C)CC(=O)Nc1ccc(F)cc1 963269278 HOSQWFCTLICWLI-LJQANCHMSA-N 362.832 3.877 0 1 FHAF COc1cc(-c2nccc3cc4c(cc23)OCCO4)cc(OC)c1OC 197446213 RDVMLOCQLULZDE-UHFFFAOYSA-N 353.374 3.699 0 1 FHAF CCc1c(C)[nH]c(=O)c(N(C)[C@@H](C)COC)c1Cc1cc(C)cc(C)c1 5886197 QWUKBBWNPIGBCU-INIZCTEOSA-N 356.510 3.924 0 1 FHAF Cc1ccccc1C(=O)NC[C@@H]1Cc2c(F)ccc(-c3ccncc3)c2O1 11786411 AHOAXGSUXOTWFQ-INIZCTEOSA-N 362.404 3.930 0 1 FHAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)s1 169371995 AZGJPBSOUXXLFR-DYDUGKMFSA-N 368.296 3.550 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(=S)N[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 169691218 CWHULRFROPCFJI-HUUCEWRRSA-N 362.838 3.779 0 1 FHAF O=S(=O)(Nc1cc(F)cc2cccnc12)c1ccc(Cl)cc1F 205633051 ZQOZCOMBUUFBMB-UHFFFAOYSA-N 354.765 3.967 0 1 FHAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OS(=O)(=O)O)CC[C@H]12 2356342158 KYVPWJSGFKNNLD-NOPAXMLDSA-N 370.511 3.786 0 1 FHAF CC[C@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1ccccn1 2457366 STVJEGYUPGYYID-OAQYLSRUSA-N 369.465 3.545 0 3 FHAF CC(=O)NCCc1coc2cc(C(=O)c3ccccc3)c3c(c12)CCCO3 103233492 PDPLIQBVLDNRMX-UHFFFAOYSA-N 363.413 3.667 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1nc2ccccc2[nH]1 101725944 BQQKUFSBVPHZQM-VXNZKSKFSA-N 369.421 3.764 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1c(C)noc1CC 100028087 DTPINYZLNUJBJO-PQMNFKMDSA-N 362.426 3.747 0 1 FHAF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccccc1O 58603152 MDMKUZHQBROCGI-MRXNPFEDSA-N 354.406 3.697 0 1 FHAF COc1ccc2nc(CO[C@@H]3CN(Cc4ccc(C)cc4)C[C@H]3F)[nH]c2c1 2356302523 XNKAYVAJIXNHAL-YLJYHZDGSA-N 369.440 3.619 0 1 FHAF CCCC[C@H](CC1(C(=O)Nc2nnc(CC)s2)CCCC1)C(=O)O 34803240 OELJYWODVDGDGG-GFCCVEGCSA-N 353.488 3.881 0 1 FHAF CC(=O)Nc1cccc(Oc2cc(NCc3cccc(F)c3)ncn2)c1 82068366 HIDYVSSNXLVQFJ-UHFFFAOYSA-N 352.369 3.979 0 1 FHAF Nc1cnc(-c2ccc(-c3ccccc3OC3CCNCC3)cc2F)cn1 224740274 SQYOTPDCHYQBOK-UHFFFAOYSA-N 364.424 3.663 0 1 FHAF Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C)C[C@H]34)cc2)cc1 95874476 RNZDERBTNLUMER-ZLNRFVROSA-N 350.506 3.516 0 1 FHAF COC(=O)C[C@@H]1CC[C@@H]2[C@H](CC[C@]3(C)CC(=O)C[C@@H]23)[C@@]1(C)CC(=O)OC 238786145 AFGHZESPMGURDO-LYWMGSQXSA-N 364.482 3.541 0 1 FHAF CCCOc1cc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)ncn1 96173028 BIUXAFAUEZKOJU-OAHLLOKOSA-N 369.465 3.616 0 1 FHAF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C[C@]12O 257375472 AFPPVJHFFGBKOB-GUQPMRJPSA-N 372.461 3.695 0 1 FHAF endogenous,in-man C=C(CCCC(C)(C)O)C(=O)CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1 85566942 VQXVFFWQWCQNFB-OXFYSEKESA-N 370.486 3.512 0 1 FHAF biogenic COc1cc(C(=O)c2ccn(-c3ccc(F)cc3)c2)cc(OC)c1OC 299827425 JCOVZGDNVXHZQV-UHFFFAOYSA-N 355.365 3.873 0 1 FHAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(F)c1 473170668 QQMLABYRAYYJBP-UHFFFAOYSA-N 364.332 3.780 0 1 FHAF CNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1 299865606 NYQQAUFZYQGHNF-DLBZAZTESA-N 374.271 3.824 0 1 FHAF FC(F)(F)c1ncc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2n1 587232438 UOFXZPHWCADOOE-UHFFFAOYSA-N 373.338 3.922 0 1 FHAF O=C1c2ccccc2-c2cc(-c3cnc(S)nc3O)nc3cccc1c23 587209365 OWEVGKSBYLUHBG-UHFFFAOYSA-N 357.394 3.898 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(N)cc32)N1 587747146 PGAAOABDLBODGU-YPMLDQLKSA-N 361.258 3.894 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(Br)s1)O2 587412549 IUGYABOPDPNTGA-CQSZACIVSA-N 353.241 3.677 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(N)cccc32)N1 587748399 WTMZXNFKRIRSOG-MLCYQJTMSA-N 361.258 3.894 0 1 FHAF CCCC[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599138 WAYMDPIZTFKJBA-LAUBAEHRSA-N 370.401 3.846 0 1 FHAF COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)ccc1OCC(=O)NC(C)C 587223864 OEAODCZQIHAROJ-UHFFFAOYSA-N 367.449 3.759 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(O)cc12 587606712 FKSRDYSXSIWBBW-UGKGYDQZSA-N 360.365 3.901 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CCN(Cc3cccs3)CC1)O2 587411900 FZRXAKZFMLVZFV-LJQANCHMSA-N 356.491 3.885 0 1 FHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587174905 NVDYOXSRSJAOFF-VIFPVBQESA-N 366.293 3.982 0 1 FHAF Cc1cnc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587768944 FEPBPLMJKGVBLL-XYZCENFISA-N 364.262 3.793 0 1 FHAF COC(=O)[C@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354847 VYNCJQUPYZGSOI-LTBCBRHQSA-N 370.376 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1cc(F)cc(F)c1)O2 587386635 VTRKWWDZLJTEDH-QGZVFWFLSA-N 355.344 3.952 0 1 FHAF CCOc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CC(=O)O)cc1F 587637199 DITDVOSWEDEBER-UHFFFAOYSA-N 357.337 3.698 0 1 FHAF COc1ccc2c(c1OC)[C@H](c1cn3ccc(C)cc3n1)N(C)[C@H](C)C2 962629704 PUAONHGHLPFGOF-VLIAUNLRSA-N 351.450 3.626 0 1 FHAF Cc1nc2cnccc2n1-c1ccc(C2=Nc3cccnc3NC(=O)C2)cc1 13743157 SEZZDCVZNXXFKS-UHFFFAOYSA-N 368.400 3.587 0 1 FHAF COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC)[C@H]2OC 14642530 RCABCWRSNHSFDC-HSALFYBXSA-N 360.406 3.549 0 1 FHAF biogenic CC(C)COC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1 1857546609 YHJQVPMRHZSEER-LBPRGKRZSA-N 356.825 3.922 0 1 FHAF COc1cc2c(cc1OC)[C@H](CCc1c[nH]c3ccccc13)N(C=O)CC2 1857580858 PIORUUQSJASDET-FQEVSTJZSA-N 364.445 3.874 0 1 FHAF Cn1ccnc1[C@@H]1c2ccc3cccnc3c2Oc2nc3c(c(N)c21)CCC3 1857598534 SSJHPRPWKDNTKY-MRXNPFEDSA-N 369.428 3.720 0 1 FHAF CC(=O)Nc1cc(-c2cc(Cl)c3c(c2)CN([C@@H](C)C2CC2)C3=O)on1 1857752894 ALHYYNUQHJPBGH-VIFPVBQESA-N 359.813 3.708 0 1 FHAF Cc1c(C(=O)NCc2ccco2)sc2ncnc(N3CCCC[C@H]3C)c12 2924306 UOIADRFAKZARDV-GFCCVEGCSA-N 370.478 3.902 0 1 FHAF Nc1cccc(-c2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)c1 6101211 FVIZXTHHNZRGNE-QHCPKHFHSA-N 371.484 3.940 0 1 FHAF COC(=O)c1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C1=C(O)CCCC1=N2 104060593 RFMXUTDMJGSAKL-KRWDZBQOSA-N 366.421 3.860 0 1 FHAF O=S(=O)(Cc1ccccc1)NC[C@H](c1ccccc1)N1CCCCCC1 58511798 RHMLLIYDUFMDOX-OAQYLSRUSA-N 372.534 3.723 0 1 FHAF O=C(O)c1ccc2c(c1)C[C@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100621037 LJGXZZPZKKWEOA-ICSRJNTNSA-N 360.413 3.588 0 1 FHAF Nc1nc(N)c2c(Cl)c([S@](=O)c3ccc4ccccc4c3)ccc2n1 59720561 BCFGAKJLVQWERI-VWLOTQADSA-N 368.849 3.768 0 1 FHAF O=C1NC[C@@H](c2cc(F)cc(C(F)(F)F)c2)N1c1ccc2[nH]cnc2c1 116194339 SCIAZXQFLMVDHZ-HNNXBMFYSA-N 364.302 3.992 0 1 FHAF COc1ccc2c(c1)CC[C@@H]1[C@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117435840 PURKIMHKDQGDHR-GHTZIAJQSA-N 361.445 3.906 0 1 FHAF CCc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C)C(=O)C(C)C 61930988 MXYIPUQDVIZXRK-UHFFFAOYSA-N 359.470 3.510 0 3 FHAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CSc1ccccn1 73138826 BABJRFSNROBRDU-DLBZAZTESA-N 374.506 3.671 0 1 FHAF COCCN(C)CCCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1 95557377 WXPMREWEDTUEDC-UHFFFAOYSA-N 372.296 3.916 0 1 FHAF CC(=O)N1CCN(Cc2ccc(Oc3ccc(Cl)cc3O)s2)CC1 95604175 CCLFZGFJBOAQQD-UHFFFAOYSA-N 366.870 3.564 0 1 FHAF COC(=O)[C@H]1C[C@H]2C[C@H]1CN2CCOc1ccc(Cc2ccccc2)cc1 253636052 IFWDQXSUHPPOCV-VWPQPMDRSA-N 365.473 3.540 0 1 FHAF CCOc1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)O)cc1 299806794 SYGAZOVHPXYSAU-LNLFQRSKSA-N 361.482 3.660 0 1 FHAF CCN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 299870199 PFOPKKIKKJVVBI-UXXJOBAUSA-N 371.521 3.704 0 1 FHAF in-vivo O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)OCO2 587609114 MFAUSVLVKJHGSH-GHTZIAJQSA-N 362.337 3.824 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(N)c2)N1 587714404 FJIPCOAFAYRIBI-PWJLMRLQSA-N 353.210 3.933 0 1 FHAF Cc1nn(C)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587759131 SNJGVWJSYVKMOO-PWJLMRLQSA-N 352.251 3.562 0 1 FHAF O=C(c1cccc(F)c1F)c1c(CO)oc2cc(Br)cnc12 587276780 VUBDVGGHWXHIJX-UHFFFAOYSA-N 368.133 3.592 0 1 FHAF CCOC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587796976 LHVRRXRGBFHNQH-BMLIUANNSA-N 370.262 3.681 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c(=S)n2C)N1 587846089 TVTWTCXSCGPLJT-CLAHSXSESA-N 370.291 3.618 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccccn23)N1 587773835 KDFXJMGRVGEJMZ-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncn3ccccc23)N1 587774531 WEOZTAMQTLYSRM-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF Oc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(Cl)c1 587054150 LMEZSCAHCIDSGS-UHFFFAOYSA-N 367.796 3.648 0 1 FHAF CCc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1CC 587765233 RYIQVDADEACOHJ-BTDLBPIBSA-N 366.278 3.991 0 1 FHAF CCOC(=O)C[C@]1(c2cccc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587397760 AUQPXQOGBTUVOO-NRFANRHFSA-N 353.418 3.700 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3c(Cl)c(Cl)cnc3[nH]1)C2 587247645 VVLCHUMOAPEUBL-QGZVFWFLSA-N 363.248 3.616 0 1 FHAF COC(=O)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1OC 587781213 SNJUNWUZCOTSHP-TWGQIWQCSA-N 352.390 3.588 0 1 FHAF COc1cc(C)ccc1OCc1nc2ccc(Br)c(O)c2[nH]1 587564257 PPOOYRDTYRKUMV-UHFFFAOYSA-N 363.211 3.927 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)N[C@H](c3ccccc3)C1)CC2=O 587479493 CKLCTORDDMQBCP-HTAPYJJXSA-N 365.429 3.700 0 1 FHAF N[C@H](Cc1nc2cncc(Cl)c2[nH]1)c1ccc(Br)cc1F 587143035 TXPUGRMXWVEGAU-LLVKDONJSA-N 369.625 3.755 0 1 FHAF COc1c(F)cc(F)cc1[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962727806 AYCYICMCYHOFEL-HUUCEWRRSA-N 371.305 3.709 0 1 FHAF COc1c(C=O)cc(C)cc1[C@H]1NCCc2cc3cccc(OC)c3nc21 963049877 BMSCJYMWOGGCEK-OAQYLSRUSA-N 362.429 3.608 0 1 FHAF Cc1c(F)ccc2c1[C@]1(NCC2)C2CCN(CC2)[C@H]1Cc1ccccc1F 962095236 WMXWVLSZLAVZMB-GMAHTHKFSA-N 368.471 3.951 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@@](Cc2ccccn2)(C2CCC2)N1)C(F)(F)F 962728106 CGWYHHQHQCFZLF-UYAOXDASSA-N 374.406 3.965 0 1 FHAF C[C@H]1CN(c2nccnn2)CC[C@@H]1Oc1cc(C(F)(F)F)ccc1Cl 166279243 PFTDBWKSVBQWLD-GWCFXTLKSA-N 372.778 3.838 0 1 FHAF COc1ccc2nc(C)nc(OCC(=O)Nc3cc(C)cc(C)c3)c2c1 1772620690 WMNNLXLWKSYDQY-UHFFFAOYSA-N 351.406 3.581 0 1 FHAF Cn1c(=O)c2ccc(-c3ccncc3)cc2n2nc(-c3ccccc3)cc12 169350981 GPYVWHDCXSHYNA-UHFFFAOYSA-N 352.397 3.915 0 1 FHAF Cc1cccc(NC(=O)CN2CCN(c3cccc4ccccc34)CC2)c1 1857572413 LEQVQRFGBPYNQZ-UHFFFAOYSA-N 359.473 3.909 0 1 FHAF CC[C@H](C)C(=O)c1c(O)c2c(c3c1OC(C)(C)[C@H](O)C3)OC(C)(C)C=C2 1857597996 GEQUBHXVOXNLLW-SMDDNHRTSA-N 360.450 3.880 0 1 FHAF COC(=O)[C@H](C)NC(=O)CCCCCCC/C=C\CCCCCCO 1857746494 XWFACHYZFVZDPE-AJNOYIKESA-N 355.519 3.894 0 1 FHAF COc1ccc(-c2noc(C)c2C(=O)NCc2ccccc2OC)cc1 774368 IZPRTVHSRFNEFF-UHFFFAOYSA-N 352.390 3.597 0 1 FHAF COc1ccccc1[C@@H](OC(=O)c1cccs1)C(=O)NCc1ccco1 1381175 LXBLCJZINAPNGB-QGZVFWFLSA-N 371.414 3.564 0 3 FHAF Cc1sc2nc3c(C(=O)NCc4cccs4)cccn3c(=O)c2c1C 2601964 JZOOBQATVMZSSU-UHFFFAOYSA-N 369.471 3.518 0 1 FHAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccoc1 4153235 HLKCKCFCRDWDSJ-IEBWSBKVSA-N 356.422 3.686 0 1 FHAF CCC(=O)N1N=C(c2ccc(N3CCOCC3)cc2)C[C@@H]1c1cccs1 103205874 PJKSUNQGPFMAGG-GOSISDBHSA-N 369.490 3.672 0 1 FHAF C[C@H](NC(=O)c1cccs1)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356299680 LONSNONCGPQIAZ-VIFPVBQESA-N 360.366 3.731 0 1 FHAF CCCN(CC)C[C@H](C(=O)Nc1ccc(OC)cc1C)N(CC)CCC 26005481 MQLXDNJQGASGPJ-HXUWFJFHSA-N 363.546 3.775 0 1 FHAF COC(=O)C1=CCC[C@H]([C@@H]2C[C@@H](c3ccoc3)OC2=O)[C@]1(C)CCC(C)=O 2356715830 SUFYVCNRYHWBMC-HPNQWNLUSA-N 374.433 3.769 0 1 FHAF COc1cccc([C@@](C)(O)c2nc(-c3cccc(C(=O)O)c3)cs2)c1 61928828 MFTWSKNYGUUILX-LJQANCHMSA-N 355.415 3.773 0 3 FHAF CC(=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O 34804167 AJQRFVJEFXGCBQ-UHFFFAOYSA-N 370.364 3.780 0 1 FHAF O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cc2sc(Cl)c(Cl)c2[nH]1 36177546 UYGMKKAFEMEBKS-YMTOWFKASA-N 367.257 3.924 0 1 FHAF CO[C@H]1C(=O)c2c(cc3c(c2O)C=CC(C)(C)O3)O[C@@H]1c1ccccc1O 13380051 SHVNMDGYHQHAIC-UXHICEINSA-N 368.385 3.613 0 1 FHAF biogenic COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN 95590819 YNULYJVKQWEOIY-UHFFFAOYSA-N 362.792 3.512 0 1 FHAF C[C@H]1[C@H]2C[C@H](OC(=O)NCCCc3ccccc3)[C@@H](C2)[C@H]2CCCCN12 263590832 SZJMBCDIKRAROM-OSTWSGHESA-N 356.510 3.997 0 3 FHAF COc1ccc(Nc2c(-c3ccc(OC)c(O)c3)nc3cnccn23)cc1 473135717 SUBSMRNNVRXPAJ-UHFFFAOYSA-N 362.389 3.863 0 1 FHAF CCOC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)n(C)n1 299859449 HXKMPMGDDRQWJU-UHFFFAOYSA-N 371.437 3.685 0 1 FHAF O=C(N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)O)c1ccc2ccccc2c1 299828511 JRJZXYIYEXKPQP-FQEVSTJZSA-N 358.397 3.747 0 1 FHAF O=C(O)CNC(=O)Cn1ccc2cc(-c3cccc4ccccc34)ccc21 299835312 YCBOHNZIWXUYKT-UHFFFAOYSA-N 358.397 3.662 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(OC)c(OC)c1 653820950 AFFOTHHVEPRFPM-IKGGRYGDSA-N 360.431 3.541 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433758 VXPJMOSMGFHRKM-WDUKFBBWSA-N 373.449 3.649 0 1 FHAF COc1cccc(O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596138 UUHTYWUQOZOJTL-RXVVDRJESA-N 364.353 3.809 0 1 FHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 587109897 WINMNGFSJBNAPP-UHFFFAOYSA-N 368.242 3.784 0 1 FHAF COc1cccc(C)c1-c1nc2cc(I)cnc2[nH]1 587787505 VUSAAYDAAVEKBI-UHFFFAOYSA-N 365.174 3.547 0 1 FHAF COc1cc(OC)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587041724 PBSRRRHFMXDKCA-NVXWUHKLSA-N 355.463 3.526 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCCCC2)N1 587765997 LUCYURRMMIMGOU-SJCJKPOMSA-N 355.295 3.824 0 1 FHAF Brc1ccc(NCCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 586996735 YOCHNMLVTVWLIU-UHFFFAOYSA-N 374.238 3.751 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@H]1CN3C(=O)OC(C)(C)C)O2 587398072 DUWVIUOVBHJEKT-RXSFTSLZSA-N 372.465 3.701 0 1 FHAF C[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccccc1C(F)(F)F 587098701 SMRXFOJFRWGWLE-SECBINFHSA-N 370.352 3.980 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(C)ccnc3[nH]2)cc1 587041538 XFHSLWCNSXAFOI-OAHLLOKOSA-N 368.462 3.553 0 1 FHAF CCn1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587579668 FKHSKWIMULFLIX-WIYYLYMNSA-N 364.401 3.794 0 1 FHAF COc1ncc(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587766700 HCVMTRBXUOTACT-QFYYESIMSA-N 365.246 3.924 0 1 FHAF N[C@@H]1CC[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C1 587246401 HXOUQGBBFAVJRO-POYBYMJQSA-N 364.165 3.819 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2[C@]12c1ccccc1CCC2(CO)CO 963244941 YINILEMROQITIC-KOSHJBKYSA-N 365.517 3.504 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CC[C@H]3[C@H](C(=O)NCC(C)C)[C@H]32)N1 962951610 UERDTYIVGJJPTQ-VYMMWHKBSA-N 365.521 3.716 0 1 FHAF O=C(NCCc1nc(-c2cccc(F)c2)cs1)N1CCC(F)(F)CC1 1772614557 PJCPKALCQQPZOV-UHFFFAOYSA-N 369.412 3.932 0 1 FHAF Cc1cc2ccccc2n1CCNC(=O)c1ccc([C@@H]2CCCNC2)cc1 169351820 WEKGPFUJTICXLT-OAQYLSRUSA-N 361.489 3.847 0 1 FHAF CCn1c(S)nnc1Cn1c(-c2ccc(OC)cc2)nc2ccccc21 1857552532 JRJFOMFLBVJBSH-UHFFFAOYSA-N 365.462 3.660 0 1 FHAF CC[C@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857646351 BNPWSJFCDRPRGJ-BBRMVZONSA-N 372.415 3.692 0 1 FHAF CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCCC2)[C@H]1c1cccs1 2460080 ZUMVLQBETUTGHM-QZTJIDSGSA-N 354.475 3.671 0 1 FHAF O=C(CCc1nc2cccnc2n1-c1ccccc1)NCCc1ccccc1 6737637 CKKACLPCEKDVGO-UHFFFAOYSA-N 370.456 3.712 0 1 FHAF COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 27209944 VQKLFYFQQYOFJU-JBINPLMMSA-N 367.537 3.808 0 1 FHAF CC[C@@H](COc1cccc(NC(C)=O)c1)OC(=O)NCc1ccccc1 103190838 OUYYHTOZALMIDZ-SFHVURJKSA-N 356.422 3.729 0 1 FHAF Cc1c(Sc2ccccc2)n(COCC2CCCCC2)c(=O)[nH]c1=O 28134161 UXPDWJYOLLLCDG-UHFFFAOYSA-N 360.479 3.551 0 1 FHAF N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc([C@H]3CCOC3)c2c1 26835721 CDJBWPMAVJSWPS-INIZCTEOSA-N 359.429 3.880 0 1 FHAF OCCOc1ccc(C2(c3ccc(OCCO)cc3)C[C@H]3CC[C@@H]2C3)cc1 29040758 OHBQNPOQGFFFTL-FXAWDEMLSA-N 368.473 3.535 0 1 FHAF N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cnccn2)n1 61898898 KAMFAXAWGOPAQC-GFCCVEGCSA-N 365.384 3.938 0 3 FHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)[C@@H]1C(C)(C)CCC[C@@]1(O)CC2 2356572373 ZLVNAIYYLQTROQ-TZIWHRDSSA-N 362.466 3.916 0 1 FHAF CC[C@@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@@H](Cc4ccc(OC)cc42)[C@@H]13 29479135 KRRDPQUROQJNSW-WBLPJHHHSA-N 353.506 3.979 0 1 FHAF O=C(O)c1c(-c2c[nH]c3cc(O)ccc23)ncc2[nH]c3ccc(O)cc3c12 2356803109 WSPZGSMRDKUVQQ-UHFFFAOYSA-N 359.341 3.974 0 1 FHAF c1ccc(-c2cc3ccc(N4CCNCC4)nc3nc2N2CCCCC2)cc1 32063634 MHKIIJWKTVXMCN-UHFFFAOYSA-N 373.504 3.697 0 1 FHAF COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C2=NC(=O)CS2)cc1 73295083 IOFSQNYFJYCKST-SFHVURJKSA-N 365.458 3.784 0 1 FHAF O=C(Nc1ccc(-c2cn[nH]c2)cc1)[C@H]1COc2ccc(Cl)cc2C1 40914339 OMWZPRJUHLJDJF-CQSZACIVSA-N 353.809 3.920 0 1 FHAF C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 40685380 VFTOBPQVFABRND-CXIBLRSTSA-N 359.510 3.963 0 1 FHAF C1=C/COCc2cncc(c2)-c2ccnc(n2)Nc2cccc(c2)COC/1 84704456 TWRIPCVWWMPBCA-OWOJBTEDSA-N 360.417 3.885 0 1 FHAF COC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccccc3OC)n2c1 199371686 AMIIVTDZSZWCTJ-UHFFFAOYSA-N 362.385 3.980 0 3 FHAF CCC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccccc1 49066651 WKGDYILXLKDNKX-QFIPXVFZSA-N 351.446 3.744 0 1 FHAF FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccn[nH]4)n3n2)c1 95601510 BRDOAWGYRPJGAJ-UHFFFAOYSA-N 362.340 3.684 0 1 FHAF C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C[C@@H]2C[C@@H]2C(N)=N1 95920554 MELPDVINWCDKRF-JXBWDGJFSA-N 372.831 3.739 0 1 FHAF in-vitro COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(N)c3)cc2)C[C@H]2CC[C@H]1N2C 253633156 FNFCKPGBCJVUBJ-XRXFAXGQSA-N 350.462 3.675 0 1 FHAF CN1[C@H]2CC[C@H]1[C@@H](CO)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 261089823 DHPAYGMVHAIWBY-WOZUAGRISA-N 373.443 3.914 0 1 FHAF COc1ccc(C[C@H](C)[C@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1OC 86048053 NJZFDQRQCKAWQT-RXSFTSLZSA-N 358.434 3.981 0 1 FHAF biogenic CCn1cc(-c2csc(N)n2)c(=O)c2cc(N3CCCC3)c(Cl)cc21 653870739 PYSOLWXSLSLLGJ-UHFFFAOYSA-N 374.897 3.981 0 1 FHAF Cc1cc(C)c(/C=C2\C(=O)Nc3cc(-c4cnc5ccnn5c4)ccc32)[nH]1 653762353 FIKAQWKKJBQJDU-MFOYZWKCSA-N 355.401 3.834 0 1 FHAF CCOC(=O)[C@@H](CC)[C@@]1(COC)CC(=O)c2ccc3c(c2O1)CCCC3 587520562 FIUFCUXALPEUAC-UTKZUKDTSA-N 360.450 3.505 0 1 FHAF COC[C@]1(C2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591247 BTAKPMQASCECSC-WIYYLYMNSA-N 354.402 3.929 0 1 FHAF COc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774786 XTIDGWZXMLWQHL-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C)O2 587393369 HGXZFQBWWXYSEV-LKBUQDJMSA-N 374.481 3.947 0 1 FHAF COCc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587853248 LRXNAYMRCQCVOK-CLAHSXSESA-N 371.275 3.815 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)cn1)[C@@H](C2)C3=O 587420495 XOIAISKFMRAGOW-YVEFUNNKSA-N 360.207 3.516 0 1 FHAF N=c1[nH]c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 587575664 KDFXYMNCSZSQRH-OXQOHEQNSA-N 374.352 3.649 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccnc1)CC2=O 587492906 YLMVEECSJJEDOB-NRFANRHFSA-N 369.417 3.554 0 1 FHAF CO[C@@H](C)COC1CCC(c2nc3cncc(Br)c3[nH]2)CC1 587951937 KDLLDJSIVUIPIK-UNXYVOJBSA-N 368.275 3.798 0 1 FHAF CN1C(=O)C[C@H]2CN[C@H](c3cccc(-c4ccncc4)c3)c3cccc1c32 963028949 PKEJWOVHUDOZGV-FDDCHVKYSA-N 355.441 3.891 0 1 FHAF CCC(CC)[C@@H]1c2ccccc2CCN1C(=O)CNCC1(O)CCCCC1 201367419 SLFBPHJJUPNZOL-JOCHJYFZSA-N 372.553 3.833 0 1 FHAF O=C(/C=C/c1ccccc1)N[C@@H](NC(=S)Nc1ccccc1)C1CC1 1772648199 VIGHMHHWCWOTJS-VUVZNRFTSA-N 351.475 3.539 0 1 FHAF CC1(C)CCCc2cc(Cl)cc(C(=O)N[C@H]3CN4CCC3CC4)c2O1 13451275 JADVZCOADCMTQF-KRWDZBQOSA-N 362.901 3.658 0 1 FHAF Cc1ccc(Nc2ncnc3c2nnn3Cc2ccccc2Cl)cc1 13778513 BURNZYZOLVHFAX-UHFFFAOYSA-N 350.813 3.975 0 1 FHAF COc1ccccc1N1CCN(CC[C@@H](O)c2cc(C)sc2C)CC1 13861776 ZXCPBBDQMAZIEL-LJQANCHMSA-N 360.523 3.619 0 1 FHAF CC(C)(C)Nc1c(-c2cc3ccccc3n3nnnc23)nc2sccn12 1857549979 GQYQECZDYBVPQL-UHFFFAOYSA-N 363.450 3.864 0 1 FHAF COc1cc(-c2n[nH]c3cc(-c4ccc(C)cc4)nn23)cc(OC)c1OC 1857750342 CWYUAJHFEZALNJ-UHFFFAOYSA-N 364.405 3.726 0 1 FHAF CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)cc1F 775813 WLLHTKLAZJUHNQ-LLVKDONJSA-N 368.836 3.932 0 1 FHAF COc1cc(-c2nc(N3CCCC3)c3ccccc3n2)cc(OC)c1OC 2500386 DGCWOFFDIPEKFW-UHFFFAOYSA-N 365.433 3.923 0 1 FHAF CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occc3[C@H](OC(=O)C(C)C)[C@@]2(C)[C@@H]1C 2356432853 ONVLUVLKVLKOKM-NNFBQCRKSA-N 362.422 3.700 0 1 FHAF COc1ccc2c(c1O)[C@@]13CCN(CC4CC4)[C@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 101794089 KLDLDBNUSYRDQT-VBSSWYCRSA-N 369.505 3.540 0 1 FHAF COc1ccc([C@H]2NC(=O)Nc3ccc(C(=O)Nc4ccccn4)cc32)cc1 66252043 ULGFHXHDACTUES-LJQANCHMSA-N 374.400 3.567 0 1 FHAF O=c1n(Cc2ccccc2)c2ccccc2n1Cc1nc2ccccc2[nH]1 28570839 UIGYGQVQYHLTKH-UHFFFAOYSA-N 354.413 3.776 0 1 FHAF CC=Cc1ccc(O[C@H](C)[C@@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 2356606783 DIEIEAKVQCTJFH-ZUOKHONESA-N 374.433 3.952 0 1 FHAF O=C(O)[C@@H]1[C@H]2C=C[C@@H]3[C@H]4[C@@H]2[C@@H](CCCc2ccc5c(c2)OCO5)[C@H]4C[C@H]31 2356728703 SMOQNODVPACIFX-OEVNTJQPSA-N 352.430 3.753 0 1 FHAF COC(C)(C)[C@@]12C=C[C@](C)(O)CCC=C(C)CC[C@@H](O)[C@@](C)(CC1)O2 2356788664 CHALLPMOTDQGLN-CWJKEVGVSA-N 352.515 3.908 0 1 FHAF Fc1ccc([C@H]2OCO[C@]2(Cn2cncn2)c2ccc(Cl)cc2)cc1 26011178 VEBUOMIZTWLPTL-QZTJIDSGSA-N 359.788 3.712 0 1 FHAF COc1ccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)cc1 34804217 FCHSYOOWBBNHQJ-UHFFFAOYSA-N 358.353 3.586 0 1 FHAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1)c1ccco1 35259293 FZLXQAWYEBSNHR-OAHLLOKOSA-N 358.258 3.525 0 1 FHAF O=C(c1ccc(Cl)cc1Cl)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 74377668 OAOJKNYWNGHRMK-ZBFHGGJFSA-N 361.228 3.869 0 3 FHAF COc1cc2ncc(C(N)=O)c(Nc3cccc(C)c3C)c2cc1OC 40934894 LFBIFLNPDYOTGD-UHFFFAOYSA-N 351.406 3.711 0 1 FHAF COC(=O)/C1=C/CC[C@@H]2O[C@H]2CC/C(C(=O)OC)=C\C=C(/C(C)C)CC1 195360710 NJAATXWPYRPTPP-IBEHCBNZSA-N 362.466 3.889 0 1 FHAF O=c1cc(-c2ccc(O)cc2)oc2c(-c3ccc(O)cc3)c(O)cc(O)c12 238757200 YXIOJBQQFQFXDQ-UHFFFAOYSA-N 362.337 3.949 0 1 FHAF c1cnc(O[C@H]2CCN(c3nc4ccccc4[nH]3)C2)c(C2CCOCC2)c1 96168977 CXBCGLYRDBPCSD-INIZCTEOSA-N 364.449 3.510 0 1 FHAF O=C(N[C@H]1CCC[C@@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1ccncc1 95587702 DYZFVEGUTIJBOD-PXNSSMCTSA-N 369.852 3.623 0 1 FHAF COc1cc(-c2nc(C)n(-c3ccc(F)cc3)n2)ccc1-n1cnc(C)c1 96911123 ULDVTZVRDDAQRX-UHFFFAOYSA-N 363.396 3.885 0 1 FHAF Cc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1 299825222 DNCWRSCWBREESA-UHFFFAOYSA-N 360.461 3.644 0 1 FHAF CC(=O)c1ccc(OCC(C)C)c(NC(=O)c2cccc(C(=O)O)c2)c1 653697719 XLDGLKJIXVUZNV-UHFFFAOYSA-N 355.390 3.875 0 1 FHAF O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H](c1ccccc1)S(=O)(=O)O 653704184 IOROZPCFLXREPG-LJQANCHMSA-N 367.426 3.921 0 1 FHAF CC(=O)c1sc(NC(=O)CN2CCC(Cc3ccccc3)CC2)nc1C 653859565 GHUIRLDLEJQYHN-UHFFFAOYSA-N 371.506 3.547 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(C(=O)OC)c1)CC2=O 587479220 MDUDTYSDRVQSSQ-SFHVURJKSA-N 356.374 3.543 0 1 FHAF CCOC(=O)[C@@H](CCOC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524495 RMBUJHJMWHWUDO-UTKZUKDTSA-N 360.450 3.505 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NCC1CC1 587866170 WYHWUKUYSLGSLY-UHFFFAOYSA-N 353.344 3.935 0 1 FHAF O=C1C[C@]2(CCn3c(O)nc4cccc2c43)Oc2c1ccc1c2CCCC1 587522305 DSWNXVHHLCSYKG-QFIPXVFZSA-N 360.413 3.885 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C(=O)O)ccn1 587862901 KTRROQZYDGUQRP-UHFFFAOYSA-N 363.295 3.660 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC3(CC(C(=O)O)C3)C2)N1 587827031 MUAAQCATMXPGAW-VKGMQXSMSA-N 368.246 3.593 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](O)C2(C)C)N1 587823088 SGIWKONNHQPNEO-TYFHEEPYSA-N 356.279 3.889 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CO)c1)CC2=O 587481248 QIJPJWNUBSGBKZ-NRFANRHFSA-N 356.418 3.726 0 1 FHAF CC(C)N1C[C@H](C)[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587759615 HBKIOSLBRZFUFF-XWCIJXRUSA-N 355.295 3.678 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)cc1C(=O)O)CC2=O 587479037 MAHLXCLEJDHALA-GOSISDBHSA-N 356.374 3.758 0 1 FHAF COC(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1OC 587037144 SOYPSJMFVBOFQJ-HNNXBMFYSA-N 360.460 3.798 0 1 FHAF Cc1ccc2c3c(c4c(nc13)CC[C@]1(CCC(=O)N1)C4)-c1ccccc1C2=O 587096225 IAXUGYBRCGSCOY-DEOSSOPVSA-N 368.436 3.892 0 1 FHAF COc1cc2c3c(c1)OC1(CCN(c4ccc(F)c(F)c4)CC1)[C@@H](C2)C3=O 587425285 BDOQZAJUBICJFK-HNNXBMFYSA-N 371.383 3.760 0 1 FHAF CCOC(=O)C[C@@]1(c2cccc(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587385624 UKLZTROYARCAJY-HXUWFJFHSA-N 357.381 3.530 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CCCOC1 587862149 FSJLWNIXVDLMMW-NSHDSACASA-N 354.328 3.644 0 1 FHAF Cc1[nH]c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)O 587788931 ARZBIFNUYUEXFF-KWKYVRJSSA-N 367.218 3.547 0 1 FHAF C=Cc1ccc(-c2nc3cc(S(=O)(=O)NCCCC)ccc3[nH]2)cc1 586881670 OEJSKSMHOUHHEN-UHFFFAOYSA-N 355.463 3.951 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2ccc(F)c(OC3CCC3)c2)N1 962906195 XEVDPTJDGCLQQM-LPHOPBHVSA-N 359.372 3.584 0 1 FHAF COc1cccc([C@@]2(CCCC(=O)O)NCCc3ccc(F)c(C)c32)c1 962086931 BGVNTYCVYUVBGR-OAQYLSRUSA-N 357.425 3.787 0 1 FHAF CN1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O 835736 ZGZGEOFCTFUNPU-GXDHUFHOSA-N 351.512 3.993 0 1 FHAF COc1cc(CN[C@H]2CCCc3c2cnn3-c2ccccn2)ccc1F 12308213 GBDHEMKTAOGTMK-KRWDZBQOSA-N 352.413 3.582 0 1 FHAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(F)cc2F)cc1 13525193 OUMIILFAYUKUES-UHFFFAOYSA-N 368.792 3.874 0 1 FHAF Cc1nc(C(F)(F)F)ccc1/C=C/C(=O)Nc1ccc2c(c1)OCCO2 13606945 BCLVOHWVSOVRMZ-XVNBXDOJSA-N 364.323 3.832 0 1 FHAF COC(=O)/C1=C\C=C(\C(C)C)CC/C(C(=O)OC)=C\CC[C@@H]2O[C@H]2CC1 169370765 NJAATXWPYRPTPP-GCNJSFJTSA-N 362.466 3.889 0 1 FHAF C[C@H](Oc1ccccc1)c1cc2n(n1)CCN(C(=O)c1ccc(F)cc1)C2 168068367 ALXDNMSKBLJSRY-HNNXBMFYSA-N 365.408 3.818 0 1 FHAF CC1(C)C(=O)N(Cc2nc3ccccc3n2CCCCO)c2ccccc21 1857634161 XWKAPNNQJDHXIY-UHFFFAOYSA-N 363.461 3.633 0 1 FHAF CC(=O)Oc1ccc2c(c1OC(C)=O)CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 1663417 XNYCWDLNVLSGAW-CDMIOBSGSA-N 368.429 3.872 0 1 FHAF COC(=O)[C@@H]1[C@H](c2ccc(Cl)c(Br)c2)C[C@H]2CC[C@H]1N2C 101024135 CLDUXOXUODATIA-BAESOJJISA-N 372.690 3.842 0 1 FHAF Cc1c(C)c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2oc1=O 28223817 JXMFDLWMSGZNOJ-UHFFFAOYSA-N 364.806 3.831 0 1 FHAF C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cc5ccccc5[nH]4)cc3n21 117690559 SQURCMDQNPTKFN-GFCCVEGCSA-N 358.401 3.679 0 1 FHAF FC(F)(F)c1ccccc1CCO[C@H]1CCCC[C@H]1N1CCOCC1 28653776 NMVFFWCXMIUZSW-MSOLQXFVSA-N 357.416 3.908 0 1 FHAF COCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5ccncc5)cc34)nc12 28950067 VCQAGQAPRXRROI-UHFFFAOYSA-N 356.389 3.710 0 1 FHAF c1ccc(-c2ccnc(Nc3cccc(OCCn4ccnc4)c3)n2)nc1 26647201 UFKWZUOTSRATQV-UHFFFAOYSA-N 358.405 3.558 0 1 FHAF COc1cccc2sc(NC(=O)NCc3nc4ccccc4[nH]3)nc12 28864060 KYNCQJBRKHRSIX-UHFFFAOYSA-N 353.407 3.503 0 1 FHAF COc1cccc(C=CC(=O)OC[C@@H]2CCCN3CCCC[C@@H]23)c1OC 2356733827 AMTPWEOSAFWDMM-ROUUACIJSA-N 359.466 3.525 0 1 FHAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)COc2ccc(C(C)(C)C)cc2)C1 61904835 BILQXYITGLKRCG-QFIPXVFZSA-N 374.525 3.518 0 3 FHAF O=c1c(-c2ccc(O)cc2)c(CN2CCCCC2)oc2cc(O)cc(O)c12 34601852 SWNTYZWCZHKGOL-UHFFFAOYSA-N 367.401 3.563 0 1 FHAF C[C@@H]1CCCN1CCCOc1ccc(C2=NN(C)C(=O)[C@H]3CCC[C@H]23)cc1 72127779 GKEPUTPZCYQUOQ-UXPWSPDFSA-N 369.509 3.532 0 1 FHAF COc1ccc2c(c1CCC(C)(C)O)O[C@H]1c3ccc(O)cc3OC[C@H]21 15115229 QSWBCPQDDKJHGF-UZLBHIALSA-N 356.418 3.714 0 1 FHAF biogenic O=c1cc(-c2ccccc2)oc2cc(OCCCCO[N+](=O)[O-])cc(O)c12 40891709 PQUYKJOHGKFMRH-UHFFFAOYSA-N 371.345 3.533 0 1 FHAF CC(C)(C)n1ncc(OCc2ccc(OCCCF)cc2)c(Cl)c1=O 40379042 HSYUQFHLKYEJRQ-UHFFFAOYSA-N 368.836 3.969 0 1 FHAF COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4[nH]3)c2)cc1OC 40938789 UGIPJBNRUHDGKH-UHFFFAOYSA-N 374.400 3.894 0 1 FHAF FC(F)(F)c1ccc(N2CCN(C(=S)Nc3ccccn3)CC2)cc1 95566950 IKRJJQPVPCXXRO-UHFFFAOYSA-N 366.412 3.619 0 1 FHAF CN(C)CCN[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 263591525 JXPRESUBWIPPEI-JSXDIISVSA-N 360.586 3.830 0 3 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1N)[C@@H](C2)C3=O 587414816 XTZVJRLIFMPWNU-YVEFUNNKSA-N 360.207 3.529 0 1 FHAF CCOC(=O)C[C@]1(c2ccccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440392 GSPIEZISOBLWES-VGOFRKELSA-N 366.413 3.600 0 1 FHAF CC(C)(C)OC(=O)N1C[C@H]2Cc3c(nc4cccc5c4c3CC5)C[C@H]2C1 587213675 YXWUSHGXXJXAOG-CABCVRRESA-N 350.462 3.915 0 1 FHAF CCc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1CC 587765236 RYIQVDADEACOHJ-QGHHPUGFSA-N 366.278 3.991 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(C)n1 587861946 DYRRMMKPKPHMED-UHFFFAOYSA-N 361.323 3.969 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCC(=O)O)N1 587828282 OLMOJPSRPYTLEW-QLJPJBMISA-N 358.251 3.983 0 1 FHAF COC(=O)c1cc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1OC 587149776 BCYLPYCNODMSQG-MNOVXSKESA-N 358.344 3.907 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccc(Cl)cc3)nn1)O2 587380642 WVEMUVRYAVFDFP-GOSISDBHSA-N 368.824 3.577 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccncc12 587589191 WCSLKSDCIGTFBA-DENIHFKCSA-N 359.381 3.981 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](OCC)C12CCOCC2 587481259 BBXMXIYUYLPVCN-RXVVDRJESA-N 360.450 3.654 0 1 FHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(O)cc2[nH]1 587111454 DETPSEPSNUNCOV-QGZVFWFLSA-N 363.339 3.687 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1O)CC2=O 587477873 JXEZZPFUVZYQLD-QGZVFWFLSA-N 358.390 3.774 0 1 FHAF O=C(CCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)Nc1cccc(F)c1 587162556 JPFJMPOGJFNFCF-UHFFFAOYSA-N 363.295 3.595 0 1 FHAF COC(=O)c1ccoc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587829981 RVYPNBDXYKCMED-RMLUDKJBSA-N 368.202 3.591 0 1 FHAF COc1ccc2c(c1)[C@](C)(c1ccc(-n3cnnc3)cc1)N(C(C)C)CC2 962088233 FLWGPJMMUUVEDH-QFIPXVFZSA-N 362.477 3.806 0 1 FHAF COc1cccc2cc3c(nc12)C1(CCN(C2CCCC2)CC1)NCC3 963041564 XXNJIKFDMKJBNP-UHFFFAOYSA-N 351.494 3.623 0 1 FHAF Cc1c(O)ccc2c1[C@](C)(CC(C)(C)Nc1ccccc1)N[C@H](C(=O)O)C2 963505961 DDCQPMGYFIVZIY-JTSKRJEESA-N 368.477 3.796 0 1 FHAF O=S1(=O)c2ccc(Oc3cc(F)cc(Cl)c3)cc2[C@@H](O)C1(F)F 1857634442 KYEJEZVNRKVFFE-CYBMUJFWSA-N 364.728 3.685 0 1 FHAF Cc1ccc(N(C)C(=O)c2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1 1857647767 BFUVXHIKTHZHOZ-HNNXBMFYSA-N 363.461 3.605 0 1 FHAF Cc1nc2ccccc2c(-c2cncnc2)c1[C@H](OC(C)(C)C)C(=O)O 1857765661 IVVSQRCPOLZLSR-SFHVURJKSA-N 351.406 3.941 0 1 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@@H](C2)[C@@H]1C[C@H](C)C(=O)C3 100785457 JKRWGJJCQQNKLV-OKBSWZFGSA-N 353.506 3.979 0 1 FHAF C[C@H]1CCCN1CCN1CCc2cc(-c3ccc(F)cc3)ccc2C1=O 59114026 PESOUNLSPHQJGL-INIZCTEOSA-N 352.453 3.975 0 1 FHAF Cc1nn(Cc2ccc(C(=O)Cc3ccccc3)cc2)c(C)c1CC(=O)O 113988878 KDTFNDPROGTUKG-UHFFFAOYSA-N 362.429 3.601 0 1 FHAF OCCN1N=C2/C(=C/c3ccccc3)CSC[C@@H]2[C@@H]1c1ccccc1 29254985 CXMODPOEHDEXPR-WEHKRVTKSA-N 350.487 3.838 0 1 FHAF COC(=O)c1cn2ncnc(Nc3ccc(C)c(O)c3)c2c1C(C)(C)C 28331397 XPRFACAHNJDEDN-UHFFFAOYSA-N 354.410 3.571 0 1 FHAF CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(C)C)C1 28251366 GLNOSFGSNDKLOC-OXQOHEQNSA-N 351.494 3.685 0 1 FHAF COc1ccc(OC)c(/C=C(/c2cc(OC)c(OC)c(OC)c2)[C@H](C)O)c1 71296971 NNVHOZVXQKWTQP-VZWMTCDZSA-N 374.433 3.651 0 1 FHAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccncc4)cc3=O)cn12 223385783 CXWXKURWVRBSPN-UHFFFAOYSA-N 372.428 3.645 0 1 FHAF COC(=O)c1[nH]c2ccccc2c1Cc1cc(OC)c(OC)c(OC)c1 45258856 TUOKRCWHFOZOQY-UHFFFAOYSA-N 355.390 3.571 0 1 FHAF CC(C)N1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1 49071167 XAWRSZTWBZKLHW-UHFFFAOYSA-N 362.477 3.917 0 1 FHAF Cc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1N(C)S(C)(=O)=O 40896161 HTFPBBMPPXILKL-UHFFFAOYSA-N 368.462 3.591 0 1 FHAF CCCn1c(-c2ccc(C)s2)nc2ccc(N3CCN(C)CC3)nc21 95583005 ROXINUGJGPFBBU-UHFFFAOYSA-N 355.511 3.630 0 1 FHAF CCCN1C[C@H](NC(=O)N(CC)CC)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 39403551 FCRJELOYDVBTGW-KPFFTGBYSA-N 368.525 3.712 0 1 FHAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(F)c(F)c1)O2 587384645 GYLUBCCYSBLABW-IBGZPJMESA-N 360.360 3.608 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587229841 CNSZXWOWYRHKKJ-CVEARBPZSA-N 357.498 3.897 0 1 FHAF CCn1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587766357 VOPKUSRPSVYWFF-QLJPJBMISA-N 352.251 3.602 0 1 FHAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1N1C(=O)c2ccccc2C1=O 587626875 JEVUFOCGGCSRRA-UHFFFAOYSA-N 368.776 3.717 0 1 FHAF CCOCc1ccc(-c2nc3c(I)cccc3[nH]2)o1 586903324 OCRQVHGHILELFU-UHFFFAOYSA-N 368.174 3.964 0 1 FHAF CSc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587843590 IZYAUBPPDRTLNU-RTHLEPHNSA-N 368.275 3.724 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2ccnc(Cl)c2[nH]1)C[C@H]1CCCO1 587197849 VOUXOVFPPJILAI-LLVKDONJSA-N 366.849 3.527 0 1 FHAF Nc1cc(F)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1N 587136595 SJJPGUSAUFXXKS-UHFFFAOYSA-N 355.598 3.949 0 1 FHAF Cc1[nH]nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587692586 BJVATVMOKGBMNX-CAAJLBCPSA-N 358.642 3.897 0 1 FHAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587041062 VDVWMSDAYDULKR-QMMMGPOBSA-N 358.826 3.733 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCN(C)C)c3ccccc13)O2 587388914 BRTVUGNTYUOQNR-NRFANRHFSA-N 363.461 3.800 0 1 FHAF Fc1cnc(Br)c2[nH]c(-c3csc4c3CCOC4)nc12 587031414 GJFDLERIOPCIST-UHFFFAOYSA-N 354.204 3.661 0 1 FHAF Nc1c(-c2nc3c(Br)ccnc3[nH]2)cnc2c(F)cccc12 587176733 QAIMCGLELOAIPR-UHFFFAOYSA-N 358.174 3.657 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(O)cc(O)c2)N1 587826328 AHEOYORHLXLHPQ-XLFHBGCDSA-N 366.230 3.797 0 1 FHAF O=C(/C=C/c1nc2c(Br)ccnc2[nH]1)Nc1ccc(F)cc1 587166201 ABZGPASFZXPJBM-AATRIKPKSA-N 361.174 3.511 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3c(Cl)cnc(Cl)c3[nH]1)C2 587246011 CLQYMXIREHEDQJ-QGZVFWFLSA-N 363.248 3.616 0 1 FHAF COCCOc1cccc(F)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424509 OTYYDCBSMMEXPB-SZNDQCEHSA-N 372.392 3.522 0 1 FHAF CC(=O)c1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132136 KUCAZWFQTFUDOU-LBPRGKRZSA-N 365.380 3.735 0 1 FHAF N[C@@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F 587157301 SGBMWYGUYUTTAK-HWPZZCPQSA-N 351.303 3.942 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2cccc(O)c2)N1 587833468 NSYUCQGPZFCIJD-JDNHERCYSA-N 364.214 3.752 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncn2ccccc12 587589627 WFLBCQGUURIATH-UTKZUKDTSA-N 358.353 3.743 0 1 FHAF CCOc1ccc(OCC)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587779018 WUKPKRXTAABTRC-UHFFFAOYSA-N 352.316 3.788 0 1 FHAF COC(=O)c1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2c1OC 587028158 LLITXOGUWVVNHT-UHFFFAOYSA-N 368.418 3.785 0 1 FHAF CCc1cc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)n[nH]1 962952441 IDMNVGVTVBVINX-QGZVFWFLSA-N 365.399 3.732 0 1 FHAF C[C@@]1(c2cc(Cl)ccc2N)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730587 OGJQDUPBEBJVHF-NVXWUHKLSA-N 368.786 3.831 0 1 FHAF NC(=O)[C@@H](c1ccccc1)N(Cc1cccc(F)c1)C(=O)c1ccccc1 1772590075 LMCMLPSDKRXRRR-HXUWFJFHSA-N 362.404 3.695 0 1 FHAF Cc1cc2c(cc1N)[C@@H](C)C1(CCC(=O)N2Cc2ccccc2)OCCO1 5552989 TUIUPAJXRDRHIG-MRXNPFEDSA-N 366.461 3.751 0 1 FHAF O=C(N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)C1CCCCC1 13455253 AHLDJXGDYFXSIX-UONOGXRCSA-N 371.264 4.000 0 1 FHAF O=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)nc2ccccc12 13581578 JFSNQOXGPKPECX-UHFFFAOYSA-N 363.436 3.784 0 1 FHAF COc1cccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)c1 13862162 GVBUKLPKAAGWRW-UHFFFAOYSA-N 374.392 3.595 0 1 FHAF COc1cc2c(cc1OC)-c1c(c(C=O)cc3ccc(O)c(OC)c13)C2=O 14883507 QVEOPFCOJVKSRP-UHFFFAOYSA-N 364.353 3.595 0 1 FHAF biogenic,in-vitro CO[C@@H](c1[nH]c(=NC(C)C)nc(O)c1C)c1c(Cl)cccc1Cl 1857559622 MQMLGUDKZRRVRV-CQSZACIVSA-N 356.253 3.775 0 1 FHAF O=C1CCCC=CC[C@H]2[C@@H](O)C[C@@H](O)[C@H]2C=C[C@@H](CCc2ccccc2)O1 253634345 RIBUBQDYGJHEOM-LXHROKJGSA-N 370.489 3.575 0 1 FHAF O=c1cc(Cn2c(C3CCC3)nc3ncccc32)c2ccc(F)c(F)c2[nH]1 59096792 BLYHNNQBGAYJIW-UHFFFAOYSA-N 366.371 3.867 0 1 FHAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2CC[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100893494 VQKLFYFQQYOFJU-MYGYKHERSA-N 367.537 3.808 0 1 FHAF Clc1ccccc1OC1CCN(c2ccc(-n3cccc3)nn2)CC1 28655453 IDYLNYXPJHWMCR-UHFFFAOYSA-N 354.841 3.969 0 1 FHAF Cc1ccc(/C=C(/C2=NCCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])o1 59085818 OHHYFWGMIGEFIM-DHDCSXOGSA-N 360.801 3.558 0 1 FHAF O=C(c1ccc(F)cc1)C1CCN(CC[C@@H]2CC3=CC=C[C@H]3C2=O)CC1 100873354 ORQWPBKZZWESRN-UYAOXDASSA-N 353.437 3.812 0 1 FHAF C[C@H]1CN(CCc2ccccc2)[C@H](CCN)C[C@@]1(C)c1cccc(O)c1 28568259 AVDLRCXTQMKTCH-QTGUNEKASA-N 352.522 3.952 0 1 FHAF Cc1ccc2[nH]c(C)c/c(=N/c3ccc(C4=NNC(=O)C[C@H]4C)cc3)c2c1 29061857 UZNVKZRFBALZOM-CQSZACIVSA-N 358.445 3.877 0 1 FHAF CO[C@H]1OC(=O)C2=C1CC[C@H]1[C@@]2(C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@@]21C 39053840 TVJZRHHUGFVBCQ-SOEYYFHNSA-N 362.466 3.920 0 1 FHAF C[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 3640040 MRVZBYVLLGHZED-GMTAPVOTSA-N 360.406 3.754 0 1 FHAF biogenic c1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)ccn1 73296388 YSXLORQICDKXPN-UHFFFAOYSA-N 363.465 3.740 0 1 FHAF Cc1ncc([C@H](O)c2c3cc(Cl)cc(C)c3nc3[nH]nc(C)c23)cn1 73197633 BSQBUOMKYFGDQP-KRWDZBQOSA-N 353.813 3.561 0 1 FHAF O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ncccc12 139071422 IPIIGNYKOUWWDJ-UHFFFAOYSA-N 367.836 3.878 0 1 FHAF CCC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cccnc3)cc2n1 45253028 AHHCJBNTWAHDNY-UHFFFAOYSA-N 358.405 3.510 0 1 FHAF CN1CCC[C@@]12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 95590070 GGZYNACHZGNEJH-LJQANCHMSA-N 371.278 3.917 0 1 FHAF C[C@@H]1Cc2nc(COc3ccccc3)oc2CN1C(=O)c1ccc(F)cc1 473106903 ZCNPLYKMWYGSNV-CQSZACIVSA-N 366.392 3.980 0 1 FHAF O=C(NC1CC1)c1ccc(-c2cn3c(-c4ccccc4)cnc3cn2)cc1 653665781 XCWZZQMPYHXSIA-UHFFFAOYSA-N 354.413 3.956 0 1 FHAF CCOC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@H]1c1ccc(OC)c(OC)c1 653820952 AFFOTHHVEPRFPM-ZACQAIPSSA-N 360.431 3.541 0 1 FHAF C[C@@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)N(C)C 587190330 HNPIJJSERCMKAE-ZETCQYMHSA-N 350.182 3.837 0 1 FHAF CCc1ccc(-c2nc3cc(C(=O)OC)ncc3[nH]2)cc1Br 586977327 LNHHZOWYBBVYSC-UHFFFAOYSA-N 360.211 3.736 0 1 FHAF CCN1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342375 DQXQXNLZUYJFKF-CTNGQTDRSA-N 355.409 3.745 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)c(F)c(C=O)c(F)c1F)O2 587381304 GQUOEDZTHIYKPN-LLVKDONJSA-N 353.271 3.653 0 1 FHAF Cc1n[nH]c(C)c1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593024 ZYXXRPFVOHSOMC-NQIIRXRSSA-N 364.401 3.695 0 1 FHAF COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(C)c1C 587511176 FEUPCPHWKKOLNE-IBGZPJMESA-N 353.418 3.705 0 1 FHAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cccc(C(=O)O)c2[nH]1 587110008 ZVIXIGBUEARHJC-UHFFFAOYSA-N 350.252 3.645 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(C[C@H]4CCCO4)c1C)[C@@H](C2)C3=O 587432627 XPZTXCIOUCRYRH-QRFQSNJMSA-N 367.445 3.781 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 587396947 XUZULGPNQDMHMX-SPLOXXLWSA-N 374.481 3.948 0 1 FHAF C[C@@]1(Cn2ccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339882 GJXMZVFSKBPCHZ-ICSRJNTNSA-N 352.365 3.546 0 1 FHAF COC(=O)[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587806018 IIMGBVCTNAJKJS-CIBPLQMKSA-N 370.262 3.537 0 1 FHAF C=Cn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587767334 YEADJSAOVGBWAX-FVMDXXJSSA-N 350.235 3.817 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1nc4ccc(Cl)cc4n1C)[C@@H](C2)C3=O 587419867 FOSMLHIHZFNEJH-RNODOKPDSA-N 368.820 3.898 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CO)cc2)N1 587825141 GCKBEAFMFRMTGK-BMLIUANNSA-N 350.231 3.704 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(cc1N)OCCO3)CC2=O 587473551 XKCWTIYUCRMILU-OAQYLSRUSA-N 369.417 3.579 0 1 FHAF NCCNCCNCCNCC1CCCCCCCCCCCCCC1 1772623727 TVTOZOVTCDRVSH-UHFFFAOYSA-N 368.654 3.805 0 1 FHAF Cc1ccccc1C(=O)c1cccn1CC(=O)N[C@H]1CCC[C@H](C)[C@H]1C 15879185 YMIPNUDRJYQQSJ-WDYCEAGBSA-N 352.478 3.968 0 1 FHAF COc1ccc(N2C(=O)C[C@@H]([C@@H]3C[C@@H](C(C)(C)C)CCC3=O)C2=O)cc1 17221474 ZJAKQAZFSNFVHD-JQFCIGGWSA-N 357.450 3.606 0 1 FHAF Cc1ccc2oc(=O)cc([C@@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)c2c1 1857748439 ZGCMEFVETOOGKG-HNNXBMFYSA-N 374.348 3.649 0 1 FHAF Cc1c2cc(-n3ccc(OCc4ccc(F)cc4)cc3=O)ccc2nn1C 584622108 RSGOXAZXFIAPQW-UHFFFAOYSA-N 363.392 3.751 0 1 FHAF COc1ccc(-c2nc(N3CCCC3)nc3nn4c(C)cc(C)nc4c23)cc1 4101461 LDRILECOMICEHD-UHFFFAOYSA-N 374.448 3.565 0 3 FHAF O=C(c1cc(Oc2ccc(F)cc2)ccn1)N1CCCN(C2CCC2)CC1 53294337 MGIDQCADHHKJOI-UHFFFAOYSA-N 369.440 3.713 0 1 FHAF 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QSGPPZQSDCEOIM-APPDUMDISA-N 372.278 3.927 0 1 FHAF Cc1ccc2c(c1)CCN2CCNC(=O)Nc1ccccc1Br 14973966 GWTRXUMFQDUWKA-UHFFFAOYSA-N 374.282 3.942 0 1 FHAF COC(=O)[C@H]1[C@@H](OC2c3ccccc3-c3ccccc32)C[C@@H]2CC[C@@H]1N2C 169371939 JMAILUWJFFEWNB-FXLVCCLPSA-N 363.457 3.797 0 1 FHAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)c4cccs4)c3)c2c1 164771199 BHRZULMEEUGQGS-UHFFFAOYSA-N 362.414 3.643 0 1 FHAF Cc1nnn2c1-c1ccc(C(=O)O)cc1N(c1ccc(Cl)cc1)CC2 1857632948 QXUMXOZTPSIGSM-UHFFFAOYSA-N 354.797 3.757 0 1 FHAF Cc1nc2ccc(NC(=O)C3CC3)cc2c(=O)n1Cc1ccc(Cl)cc1 1363134 ICCQSMFBAKMATC-UHFFFAOYSA-N 367.836 3.755 0 1 FHAF O=C(Oc1ccccc1)N1CCC2(CC1)CCN(c1ccccn1)CC2 3955726 DGOYWYHGDGGHMZ-UHFFFAOYSA-N 351.450 3.963 0 1 FHAF CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cc(C)[nH]n2)c1C 4688033 HGWKDKCWAVMXTG-UHFFFAOYSA-N 368.412 3.866 0 3 FHAF CC(C)NC(=O)N1C[C@@H]2[C@@H](c3ccccc3)[C@H](C1)N2Cc1ccc(F)cc1 100087784 UIJJXURBPVAUJJ-WKCHPHFGSA-N 367.468 3.596 0 1 FHAF Fc1cccc([C@H]2C=C(c3cccc(Br)c3)Nc3nnnn32)c1 102794533 MWHUSKBJYFRFMQ-OAHLLOKOSA-N 372.201 3.631 0 1 FHAF CN[S@@](=O)(=NC(=O)N(C)c1ccc(Cl)cc1)c1ccc(C)cc1 102790086 GQUMHASVSNEMNA-HSZRJFAPSA-N 351.859 3.866 0 1 FHAF CCC(=O)Nc1cccc2c(OC[C@H](O)[C@@H](C)NC(C)(C)C)cccc12 28768506 ILFWZUZIDVBQIT-KDOFPFPSSA-N 358.482 3.705 0 1 FHAF CC[C@@H]1C[C@H]2CN3Cc4c([nH]c5cc(OC)ccc45)[C@@](OC(C)=O)(C2)[C@H]1C3 2356432731 KJYMUDNOWXQGHJ-CUMKQXGYSA-N 368.477 3.817 0 1 FHAF Fc1ccc2c(c1)N(CCCN1CCOCC1)c1cc(F)ccc1CC2 28896139 CAGYHCRDURIIEL-UHFFFAOYSA-N 358.432 3.924 0 1 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1C[C@H](C)C(=O)C3 29216144 JKRWGJJCQQNKLV-MMWSRIRUSA-N 353.506 3.979 0 1 FHAF COC(=O)C=C(C)C[C@H](O)[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@@]2(C)O 2356656076 PTXPYBHMAVQSPJ-YXEXTMMPSA-N 352.515 3.850 0 1 FHAF CC(C)(O)CN1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72184460 RSYGKAMHIYBXIS-HXUWFJFHSA-N 373.928 3.649 0 1 FHAF CCNc1nc(NCCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 82132196 PJBNZEGWVFDHAK-UHFFFAOYSA-N 370.428 3.873 0 1 FHAF Cc1cncn1CCCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 138325208 KVEARTDQFDOZSV-LLVKDONJSA-N 374.535 3.841 0 1 FHAF C/C=C\c1cc(OC)c(OC)cc1C(=O)c1cc(OC)c(OC)c(OC)c1 221617305 PVXVSEZGIGQQGX-FPLPWBNLSA-N 372.417 3.994 0 1 FHAF NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1 89469996 XSPXJYVALVHTAJ-UHFFFAOYSA-N 357.776 3.855 0 1 FHAF CCOc1cc(CCNc2nc(N3CCC[C@H]3C)ncc2C)ccc1OC 82202739 PZNJPJNJWVJEPO-MRXNPFEDSA-N 370.497 3.836 0 1 FHAF C[C@H](O)CNc1cc(-n2c(-c3cccc(O)c3)nc3ccccc32)ccn1 95587611 AEVXBTIKHBFACQ-AWEZNQCLSA-N 360.417 3.586 0 1 FHAF O=C1N(c2ccnc(C(F)(F)F)c2)[C@H]2C[C@H]2N1c1cnccc1C1CC1 143056060 HHSNJLVYXKJDIO-UONOGXRCSA-N 360.339 3.960 0 1 FHAF O=C(Nc1cccc2c1[C@@H]1CCCCN1C2=O)Nc1ncc(F)cc1F 95574683 IMQYKFJIPMIFGC-AWEZNQCLSA-N 358.348 3.685 0 1 FHAF CN1CCC[C@@]12C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1)c1ccccc12 95590629 IDNFFKGWHRNHPP-HSZRJFAPSA-N 372.472 3.555 0 1 FHAF NC(=O)C[C@H](C1CCCCC1)n1cc(Nc2ncnc3sccc23)cn1 653849049 BXNPNBZPRDEEKY-OAHLLOKOSA-N 370.482 3.628 0 1 FHAF Cn1cc(-c2ccc(Cc3n[nH]c4ccc(-c5nccn5C)cc34)cc2)cn1 653738957 BGVLCUOYRCTJCU-UHFFFAOYSA-N 368.444 3.955 0 1 FHAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Br)ncc3[nH]2)cc1 587935262 HKQXPHMTCHKFMX-VFZGTOFNSA-N 362.227 3.566 0 1 FHAF Cc1ccc2c3c(c4c(nc13)[C@H](S(C)(=O)=O)CC4)-c1ccccc1C2=O 587101212 DGOAIFIOTYVNNC-MRXNPFEDSA-N 363.438 3.787 0 1 FHAF C[C@@H]1CCc2ccc(Br)cc2-c2nc3nc(O)nc(O)c3cc21 587366821 QMIVCNNHHWONFN-MRVPVSSYSA-N 372.222 3.915 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1CNC(=O)OC(C)(C)C)O2 587387395 POXGOURAKRQJGO-QKKBWIMNSA-N 374.481 3.996 0 1 FHAF C[C@@H](C(=O)c1coc2ccc(Cl)cc12)N1C(=O)c2ccccc2C1=O 587276794 WJHRKOWIQUMXFR-JTQLQIEISA-N 353.761 3.954 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(Br)cc2[nH]1 587041448 FTGHWFAJXNPWMI-GFCCVEGCSA-N 368.300 3.946 0 1 FHAF C[C@]1(CN2CCCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592658 IIDQYMPJOMGPHP-DENIHFKCSA-N 367.445 3.989 0 1 FHAF O=C(/C=C/c1nc2cc(-n3cccn3)c(F)cc2[nH]1)Nc1ccc(F)cc1 587167332 QILKJZDJQALQLZ-VOTSOKGWSA-N 365.343 3.679 0 1 FHAF Cc1c(Br)cnc2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc12 587969638 RYTZQQYREXSJHW-UVAGUKSRSA-N 360.255 3.676 0 1 FHAF O=C1CCc2cc3nc(Cc4csc(-c5ccco5)n4)[nH]c3cc2N1 587017469 MLOUKFRTWBDZHD-UHFFFAOYSA-N 350.403 3.755 0 1 FHAF C[C@@]1(c2ccc(F)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569103 KKEXTQOOGUXJGA-PXNSSMCTSA-N 351.333 3.803 0 1 FHAF Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)cc1 587393228 GTLXEUFIABGDPZ-UHFFFAOYSA-N 364.445 3.526 0 1 FHAF CCOc1ccncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585469 DYOAUOPDTGLXLS-RXVVDRJESA-N 363.369 3.889 0 1 FHAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccncc1 586988247 OAGORYDZILLRAB-UHFFFAOYSA-N 366.376 3.972 0 1 FHAF COc1cccc(-c2nc3cccc(I)c3[nH]2)c1O 587787776 YNSPKFKTHCBVSJ-UHFFFAOYSA-N 366.158 3.549 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 587932305 NJSVSAWKEVNFIP-YWZLYKJASA-N 370.474 3.810 0 1 FHAF Nc1c(-c2nc3c(N)ccnc3[nH]2)sc2cc(Br)ccc12 587030988 KNCJCYPJBIDENS-UHFFFAOYSA-N 360.240 3.767 0 1 FHAF CCOC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175436 SJMZNXNCBKXQLU-OAHLLOKOSA-N 366.396 3.603 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(CCOCC3)C2)N1 587833087 FKFYQFKMGFRWSA-NSHDSACASA-N 354.263 3.908 0 1 FHAF CC(C)(C)C[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603896 QAPGVLAUJMTYHK-YWZLYKJASA-N 356.374 3.613 0 1 FHAF COc1ccc(/C=C/Cc2nc3cc4c(cc3[nH]2)OCCCO4)c(OC)c1 587930326 UBWABJCDLPZQEE-HWKANZROSA-N 366.417 3.997 0 1 FHAF Cc1nccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587335171 GXMXBOZUTUUWBY-CTNGQTDRSA-N 364.376 3.904 0 1 FHAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)n1 587079076 GNHKWKVAVQPXDK-ZDUSSCGKSA-N 372.904 3.803 0 1 FHAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2C2(C=CC=CC=C2)N1 963180407 LPKFFACLFSGFEU-AWEZNQCLSA-N 355.743 3.835 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1cc(Br)c[nH]1)N(C)[C@@H](C)C2 962642265 ZAAKTFMXRMOGPY-DYZYQPBXSA-N 365.271 3.760 0 1 FHAF CCn1c(C)ccc1[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962663866 JSRUSBUJOSCCPO-SIKLNZKXSA-N 363.461 3.553 0 1 FHAF Cc1ccc([C@@]2(c3ccccn3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963039589 YOQQYCOAIZIVPG-MZNJEOGPSA-N 369.468 3.735 0 1 FHAF COc1cccc(C)c1[C@@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962767748 QQBWOQDWWAYAEL-KXBFYZLASA-N 363.379 3.913 0 1 FHAF CCc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 13441874 RCNINFKSPSHCHA-IBGZPJMESA-N 351.450 3.562 0 1 FHAF CSc1nnc2nc3c(c(O)n12)C1(CCCCC1)Cc1ccccc1-3 13638961 JILFEYGCJNJTAA-UHFFFAOYSA-N 352.463 3.977 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 169723978 ZJIGUKOOTNNYSF-DOTOQJQBSA-N 361.413 3.789 0 1 FHAF COc1ccc(CN2CCC(n3cc(Cc4ccccc4)nn3)CC2)cc1 1857555591 ZEKMBGQEZDKGIK-UHFFFAOYSA-N 362.477 3.715 0 1 FHAF NC(=O)c1c(F)ccc(OCc2cc(/C=C/c3ccccc3)no2)c1F 1857656602 GGDQASOGAAEXOF-VOTSOKGWSA-N 356.328 3.801 0 1 FHAF c1cn(-c2ccc(Oc3cc(Oc4ccc5c(c4)OCO5)ncn3)cc2)cn1 593139 RAYGXDLWVNORMV-UHFFFAOYSA-N 374.356 3.976 0 1 FHAF c1ccc(C2=NO[C@@H](c3c[nH]c4ccccc34)[C@H]2CN2CCOCC2)cc1 103287902 PDFYKKURFMOUES-UGKGYDQZSA-N 361.445 3.592 0 1 FHAF COc1cc2c(O)c3c(c(-c4ccccc4OC)c2cc1OC)C(=O)OC3 103187898 VEURPDKIJJILSF-UHFFFAOYSA-N 366.369 3.909 0 1 FHAF CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1c1ccc(Br)s1 103219321 QVHRSUOZBXKWGJ-AWEZNQCLSA-N 369.215 3.889 0 1 FHAF Fc1ccccc1-c1ccc([C@@H]2[C@H]3CN(Cc4ccccn4)C[C@@H]2N3)cc1 100089118 FDHHHBRZAAIRJQ-NUNAXRQHSA-N 359.448 3.828 0 1 FHAF COC(=O)[C@@H]1CN(Cc2ccc(O)cc2)CC[C@@H]1c1ccc(Cl)cc1 26938008 HADDGTXUFMJHIP-RTBURBONSA-N 359.853 3.824 0 1 FHAF COc1cc(-c2ccccc2Cl)c2oc(N3CCOCC3)cc(=O)c2c1 26727228 HNPLACDFVFHWMS-UHFFFAOYSA-N 371.820 3.959 0 1 FHAF CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12 63539202 FOXLXMLEOCIUHE-UHFFFAOYSA-N 357.845 3.754 0 1 FHAF COc1cc(C=Cc2cccc(OC)c2OC(C)=O)ccc1OC(C)=O 2356446999 IWTSXXNTGOOTOD-UHFFFAOYSA-N 356.374 3.725 0 1 FHAF Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1cccs1)O3 34602347 SYFSGXBYSXRJBJ-HNNXBMFYSA-N 355.463 3.711 0 1 FHAF COC1CCC2(CC1)Cc1ccc(OC[C@H](C)F)cc1[C@]21N=C(C)C(N)=N1 210604644 WEHAHFRWAHYPCU-CXFJMVOSSA-N 373.472 3.539 0 1 FHAF O=C(CCc1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccc1 1911570849 YCTWVOJHPYUVON-UHFFFAOYSA-N 350.245 3.854 0 1 FHAF Cc1cccc(C)c1CNc1nc(N2CCNC2=O)cc2c(C)c(C)[nH]c12 49785761 XIHFOOAKDQNZGJ-UHFFFAOYSA-N 363.465 3.938 0 1 FHAF COC(=O)c1ccc(CC[C@@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 45231190 YVTGNCFOBBVCIR-AUUYWEPGSA-N 361.869 3.771 0 1 FHAF COc1cc(-c2nc(Nc3ccccc3)n(C)n2)ccc1-n1cnc(C)c1 141633042 VPWUPQUFUZDXSX-UHFFFAOYSA-N 360.421 3.728 0 1 FHAF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc4c(c3)OCCCO4)C2)cc1 95588161 LEBPVFRPBIXIIL-LJQANCHMSA-N 366.417 3.554 0 1 FHAF NC[C@@H]1[C@@H](c2ccccc2)[C@]1(C(=O)N1CCc2ccccc21)c1ccccc1 261190740 ZAKNFBUXJCNYEX-PFATUAPWSA-N 368.480 3.886 0 1 FHAF CN(Cc1ccco1)[C@H]1CN(Cc2ccc(F)cc2)C[C@H]2CCCO[C@@H]12 299841786 LRSFRBQZLJKHQT-JRGCBEDISA-N 358.457 3.530 0 1 FHAF CN(C)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587574262 WMFFUNGWQRCFPM-TUVDCLKLSA-N 353.418 3.597 0 1 FHAF COc1cc2c3c(c1)OC1(CCN(CCc4ccccc4)CC1)[C@@H](C2)C3=O 587438861 RQEUIUKJHYHDTB-IBGZPJMESA-N 363.457 3.520 0 1 FHAF CC(C)n1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587763687 LIFPULISHLZGIM-QLJPJBMISA-N 352.251 3.989 0 1 FHAF CCOC(=O)[C@]1(c2ccc(SC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587411329 SODJSKRHCVWFCL-HXUWFJFHSA-N 371.458 3.723 0 1 FHAF Cc1nccn1CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577404 NHYTXKSZTIREHF-NQIIRXRSSA-N 364.401 3.708 0 1 FHAF CN(C)CC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCC1 587570439 ITSAJXFRXXTRCO-WIYYLYMNSA-N 367.445 3.844 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cnn1C)CC2=O 587458966 VNCBDFVHDCYVIS-CQSZACIVSA-N 365.227 3.547 0 1 FHAF CCn1nc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583672 WMWMLTXRROFLOV-XLIONFOSSA-N 350.374 3.620 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC1OCCCO1)(c1ccccc1)O2 587413583 RZSIKAJILDBLHT-QFIPXVFZSA-N 367.445 3.981 0 1 FHAF CCOC(=O)/C(=C\N(C)C)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587512740 OUFLHXVPFDGMBM-RRXSNJIPSA-N 371.477 3.688 0 1 FHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cccc(Br)c2[nH]1 587052538 FBWIAUQTVOTRSC-LLVKDONJSA-N 366.646 3.927 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(O)c(Br)c1)[C@@H](C2)C3=O 587414078 RQEHXRFTCQTSLH-APPDUMDISA-N 361.191 3.652 0 1 FHAF Cc1c(Cl)ccc2nc(-c3nccnc3I)[nH]c12 587186041 FJPCDWLCUUFKIB-UHFFFAOYSA-N 370.581 3.586 0 1 FHAF CC(C)COC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587788886 AIWNSPRYKLPLFO-DIFFPNOSSA-N 372.278 3.927 0 1 FHAF CCOC(=O)C[C@]1(CC2CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443572 WIVBEUNDPOHWIU-IERDGZPVSA-N 358.434 3.715 0 1 FHAF Oc1nc(S)nc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083696 GSSJXRYAXMWFBF-UHFFFAOYSA-N 355.810 3.730 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cccnc12 587592509 YZLSYWKFVGLBOC-UTKZUKDTSA-N 358.353 3.971 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnccn1 587858918 PLQQSVPWSVUVGY-UHFFFAOYSA-N 363.204 3.734 0 1 FHAF Cc1nsc(N)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587860118 ZYYBJIPQIWCHOT-MLXNANBUSA-N 370.291 3.733 0 1 FHAF Oc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587002610 XPRMGDWMWZRAMB-RJRFIUFISA-N 373.206 3.973 0 1 FHAF Cc1nc(O)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587850282 DJZFLJZQLQWATO-ZIDLFYJRSA-N 371.275 3.856 0 1 FHAF Fc1cc(CCc2nc3c(Br)ccnc3[nH]2)cc(F)c1F 587139049 CVGUALHPZKXURX-UHFFFAOYSA-N 356.145 3.923 0 1 FHAF COc1cccc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c12 586965352 JLJVVXQILBMJTD-UHFFFAOYSA-N 365.462 3.968 0 1 FHAF Oc1c(Br)ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587121900 AKOAUSLNELTXIG-UHFFFAOYSA-N 370.153 3.737 0 1 FHAF Oc1ccc2c(c1)[C@H](c1ccc(OC(F)F)c(OC(F)F)c1)NCC2 963353026 OSBQCYWPFZUNQL-HNNXBMFYSA-N 357.303 3.830 0 1 FHAF CN(C)C(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169324114 KZGZRFUHUPKRGX-ZNIGIMOWSA-N 365.304 3.948 0 1 FHAF Cc1ccc(/C=C2\CNC[C@H]3C2=NC(=S)N[C@H]3c2ccc(C)cc2)cc1 169729954 PBAUMKNLCRWIBL-INQFTJRBSA-N 361.514 3.977 0 1 FHAF O=C(OCc1ccccc1)N1CCN(c2cncnc2-c2ccccc2)CC1 584620657 QGVCOLJYIDEFKD-UHFFFAOYSA-N 374.444 3.602 0 1 FHAF Brc1ccc(CCO[C@H]2CCCC[C@@H]2N2CCOCC2)cc1 1483358 DKKUYUYFZQFXER-ROUUACIJSA-N 368.315 3.652 0 1 FHAF C[C@H](NC(=O)c1cccn1C)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 2356299253 CPLRLWZHZNRYOL-JTQLQIEISA-N 373.796 3.523 0 1 FHAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cccc(N)c3)cc2)C[C@H]2CC[C@H]1N2C 100800439 FNFCKPGBCJVUBJ-PLACYPQZSA-N 350.462 3.675 0 1 FHAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)C[C@@H]2N3)cc1 100107099 RCGMWVQGYHDHFO-JOBHKAQDSA-N 351.425 3.831 0 1 FHAF COc1cccc([C@H]2CC[C@@H](N3CCN(c4ccccn4)CC3)CC2)c1 100086257 SHEZXZSIBXLQMP-KESTWPANSA-N 351.494 3.939 0 1 FHAF C[C@H]1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C[C@@H](C)O1 28000231 SVUHEEJUVZSJIK-SSCQCSDVSA-N 363.542 3.880 0 1 FHAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@H](Cc2ccccc2)C3=O)S1 29552849 GQSUDXNKQFXKOH-SJLPKXTDSA-N 365.454 3.569 0 1 FHAF Cc1ccc(CN2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)s1 72429385 VHKUZEPAHFRIHD-QGZVFWFLSA-N 373.570 3.551 0 1 FHAF O=C(CCCCCCCCCc1ccccc1)CC(=O)N[C@@H]1CCOC1=O 40405936 MZEXWAZDBPUILE-HXUWFJFHSA-N 373.493 3.741 0 1 FHAF COc1ccc(-c2cc(NCc3ccccc3F)ncn2)c(OC)c1OC 82160424 HPPWCXPBFSTECG-UHFFFAOYSA-N 369.396 3.921 0 1 FHAF O=C1OCC2=C1[C@H](c1ccc(F)c(Cl)c1)c1cc3c(cc1N2)OCO3 40404740 SRUWTGFOBZINTQ-MRXNPFEDSA-N 359.740 3.576 0 1 FHAF Cc1cc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)ccn1 96168838 XKOPXTBCWHMNPP-UHFFFAOYSA-N 369.428 3.663 0 1 FHAF Cc1cccc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3cccc(Cl)c3)C2)n1 95589102 UVDVHLGCTQPUHY-IRXDYDNUSA-N 371.868 3.514 0 1 FHAF Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)NC2 142444024 FKLWUWJYBORMDH-UHFFFAOYSA-N 352.829 3.562 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2C[C@@H]1c1ccccc12 95607340 CCNUQTMMRGAWTF-XUMLPFHTSA-N 364.445 3.814 0 1 FHAF COc1ccccc1[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587394308 TXAPACCECXUQBW-QFIPXVFZSA-N 360.413 3.890 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3ccccc3n2)N1 587776359 WWNJEORVKVSWNL-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF CC(C)N1C[C@H](C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346508 RTNUMCSIJSENQC-OTPBECDQSA-N 369.436 3.989 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccn2C(F)F)N1 587719385 QNNCPYDKIFUPHT-JVXZTZIISA-N 360.177 3.803 0 1 FHAF COc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587661333 XKTMBZBFZCJODQ-UHFFFAOYSA-N 374.371 3.900 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Br)cccc31)O2 587370276 DIVZNGCHXILHSU-SFHVURJKSA-N 374.234 3.983 0 1 FHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)c(F)cc2[nH]1 587094925 WLSNQDMUHACQSQ-RXMQYKEDSA-N 368.128 3.594 0 1 FHAF CCOC(=O)C[C@@]1(C2CCCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442633 RMXGEFDVYIEAOM-IERDGZPVSA-N 358.434 3.715 0 1 FHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)cnc2[nH]1 587112959 MYNIYLAAIJOGOM-INIZCTEOSA-N 366.318 3.515 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3cc(Br)cnc3[nH]2)c1C 587238521 BUUKETJSEYOZHS-UHFFFAOYSA-N 359.227 3.518 0 1 FHAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 586885871 DLFSZAFYZAYCGM-QRWLVFNGSA-N 353.466 3.649 0 1 FHAF CCn1cc([C@@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587583737 XDFGZVJOKFRTOE-WIYYLYMNSA-N 364.401 3.876 0 1 FHAF CN1CCC[C@@H]1CCn1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661904 SXDLWWCJORBQEO-QGZVFWFLSA-N 351.425 3.687 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3ccccc3n2)N1 587776358 WWNJEORVKVSWNL-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF N=C(N)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074913 FUWZLPZUSBRTGO-KRWDZBQOSA-N 353.857 3.837 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccn1CCc1ccccn1)[C@@H](C2)C3=O 587431365 OEJOMIPJUMHYQA-HTAPYJJXSA-N 360.413 3.623 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511564 LROCSMOFDXFWJQ-UTKZUKDTSA-N 357.450 3.957 0 1 FHAF CCC[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587793421 DYTLANNVGDUBJH-QLJPJBMISA-N 358.251 3.681 0 1 FHAF O=C(O)CCCCCONC1=C[C@H](c2cccc(Br)c2)C1 957574201 VZGDMSOWLPPYLT-ZDUSSCGKSA-N 354.244 3.987 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@](CC(F)(F)F)(C2CC2)N1)C(F)(F)F 962730151 LYDSHFUDYPCNAR-JSGCOSHPSA-N 351.290 3.890 0 1 FHAF CCCOc1ccc([C@]2(CC)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962923486 RBPLQBNJKXDYDG-FPOVZHCZSA-N 357.425 3.867 0 1 FHAF NCCNc1cc(N2CCCc3ccccc3C2)nc2ccc(F)cc12 205297435 PTOFOEAOIMGJBO-UHFFFAOYSA-N 350.441 3.697 0 1 FHAF COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1cc3c(cc1C2=O)CCC3 5539712 DKRRNCHPNPUSKH-KNQAVFIVSA-N 360.413 3.689 0 1 FHAF CN1c2ccccc2N(C(=O)c2ccccc2)[C@H](CC(=O)O)c2cccn21 5811160 KQJDYJBNQCGBPQ-LJQANCHMSA-N 361.401 3.564 0 1 FHAF COc1ccc(-c2ocnc2-c2cc(OC)c(OC)c(OC)c2)cc1N 13473128 ORUVVWYFXHDKJW-UHFFFAOYSA-N 356.378 3.625 0 1 FHAF Clc1cccc(Nc2ncnc3c2nnn3CCc2ccccc2)c1 13778529 GXIZMMJUJPTISQ-UHFFFAOYSA-N 350.813 3.861 0 1 FHAF CCN(c1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1)C(C)(C)C 206105234 PCKUZAUQQUCSJT-UHFFFAOYSA-N 363.465 3.536 0 1 FHAF CCc1cc(OC)c(Cl)cc1-c1cn2ccc(N3CCNCC3)cc2n1 1857596903 LZTNUZFEHREJMR-UHFFFAOYSA-N 370.884 3.635 0 1 FHAF COCCNCc1c(C(=O)O)n(Cc2ccccc2Cl)c2ccccc12 6803702 ADCHGJFEXNRONL-UHFFFAOYSA-N 372.852 3.777 0 1 FHAF CCCCOc1ccc(Nc2c(N(O)Cc3ccccc3)c(=O)c2=O)cc1 101208730 SUYFTYUBDUXXHB-UHFFFAOYSA-N 366.417 3.601 0 1 FHAF CC[C@@H](C)[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 118925234 HOGZQSSVBGJUMW-ZTSBSJDLSA-N 364.570 3.994 0 1 FHAF CCNC(=O)c1ccc(-c2cnc3c(OCc4ccccc4)cccn23)cn1 1911571945 GEOKYVZOAMJLIY-UHFFFAOYSA-N 372.428 3.725 0 1 FHAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3ncccc3C(F)(F)F)cc2)S1 45336977 QVUNHTCQDCPKTR-GFCCVEGCSA-N 368.336 3.787 0 1 FHAF Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 49033204 HIRJAQVDBPWMCT-UHFFFAOYSA-N 364.453 3.683 0 1 FHAF Cc1cccc(C(=O)N[C@]2(C(=O)O)Cc3ccc(F)cc3C2)c1CC(C)C 43202054 MSOVLVYBZYSIEE-JOCHJYFZSA-N 369.436 3.685 0 1 FHAF COc1cc(C(=O)N2CC(=O)Nc3ccccc32)cc(-c2ccccc2)c1 473094805 WEYWOGXYWQBVCO-UHFFFAOYSA-N 358.397 3.961 0 1 FHAF CC(C)CC(=O)NC1=NN(C(=O)CC(C)C)[C@@](C)(c2ccccc2)S1 299837497 OSSVSMDGQRWKKE-LJQANCHMSA-N 361.511 3.914 0 1 FHAF COc1ccc2ccc(=O)oc2c1C1=NN[C@@H](c2ccc(SC)cc2)C1 299857382 CSHKOPFPSVEXBH-OAHLLOKOSA-N 366.442 3.962 0 1 FHAF Cc1cncc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 587000901 OBKOWMRXIVQVGO-ZDUSSCGKSA-N 370.254 3.753 0 1 FHAF COc1ccnc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587769491 GKLUUNYVDCJLCG-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C)nc2[nH]1 587111858 DXWSPMLDCZMJPA-QGZVFWFLSA-N 362.355 3.685 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCC(=O)O)c1)CC2=O 587476935 BTQAPFUSTZVGNF-NRFANRHFSA-N 370.401 3.689 0 1 FHAF CC(C)N1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593196 JYCXROQCMDPJCC-WIYYLYMNSA-N 353.418 3.597 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1nc(C(F)(F)F)c(C)s1)[C@@H](C2)C3=O 587419301 BTDSEFCVQIVIEE-ZANVPECISA-N 355.337 3.968 0 1 FHAF N=c1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c[nH]1 587033259 YCCHXPDRCGUXSX-UHFFFAOYSA-N 360.240 3.597 0 1 FHAF Cc1nn(-c2cccc(-c3nc4cc(N)c(N)cc4[nH]3)c2)c(C)c1Cl 587065321 OCUKHRTYQJKSAV-UHFFFAOYSA-N 352.829 3.850 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC1(CCOCC1)C2 587611528 SNJRDKXWRHGUOO-KRWDZBQOSA-N 352.386 3.683 0 1 FHAF COc1ccc(/C=C/Cc2nc3cc(OC)cc(OC)c3[nH]2)c(OC)c1 587928711 HQIFVJMMWKUIAL-AATRIKPKSA-N 354.406 3.853 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)cc2)N1 587826762 LRYARKNCUMZDSE-FVMDXXJSSA-N 364.214 3.910 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CC3(C1)CN(C(=O)OC(C)(C)C)C3)O2 587400009 NFYFNRFWIRCITO-KRWDZBQOSA-N 372.465 3.558 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(CO)n4)cc1)[C@@H](C2)C3=O 587435773 JZOMWOLCDUBIAN-FDDCHVKYSA-N 373.408 3.738 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1CCCC1 587863666 PYRHPCALLOALGA-UHFFFAOYSA-N 367.371 3.704 0 1 FHAF COc1cc2c3c(c1)O[C@H]([C@H]1CCCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587439017 SPPBMCCFMMCXSH-KHYOSLBOSA-N 373.449 3.601 0 1 FHAF CCOc1ccccc1OCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587779839 GNKNNVPMKZLRGZ-UHFFFAOYSA-N 372.734 3.954 0 1 FHAF CN1CCc2cn(C)nc2[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 963953820 DKHSMMBNDROEOA-NRFANRHFSA-N 351.425 3.716 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](C)CC[C@@]12c1ccsc1CCN2Cc1cccn1C 962371728 HLNIFXMBRHGEEI-PAXLWEDBSA-N 372.534 3.949 0 1 FHAF CN(C)c1ccc(-c2nc3cc(I)ccc3o2)cn1 212105863 QFXSFMXKGHWKFO-UHFFFAOYSA-N 365.174 3.560 0 1 FHAF COCCNc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 1772635837 YVQUPMLFBMFQSQ-UHFFFAOYSA-N 360.849 3.863 0 1 FHAF Fc1ccc(N[C@H]2CC[C@@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772593223 WDSQTCWUUXVUNZ-XBXGTLAGSA-N 350.401 3.883 0 1 FHAF CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@@H]1c1ccc(F)cc1 4597357 MUZHLTCCOYNOQH-COOUDCDJSA-N 361.398 3.697 0 1 FHAF CCc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)ccn1 586485 WFOVQRPNGUHAQT-UHFFFAOYSA-N 352.365 3.798 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(=O)CC2 602661 LMBIHYWAZRMYEM-UHFFFAOYSA-N 372.442 3.590 0 1 FHAF O=C(NC1CCCCC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2455958 RXEQRFFNURHODU-FCHUYYIVSA-N 374.484 3.972 0 1 FHAF CC=CC=CC=CC(=O)O[C@@H]1C=C[C@](O)(CO)[C@]2(C)CCCC(C)(C)[C@@H]12 2356382024 KKQZGPSOJHPQNX-IYERYRBDSA-N 360.494 3.713 0 1 FHAF C[C@H]1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C[C@H](C)O1 28000239 SVUHEEJUVZSJIK-BXFVGNANSA-N 363.542 3.880 0 1 FHAF CC(C)c1ccc(C(=O)C[C@@H](SCC(=O)O)C(=O)O)c(C(C)C)c1 28472418 YRGUWZWVLMQROJ-MRXNPFEDSA-N 352.452 3.777 0 1 FHAF Cn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1c[nH]c2ccccc12 102824367 ZOPNSFWMWPHQCT-UHFFFAOYSA-N 364.430 3.954 0 1 FHAF Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1 63540185 FGWOKLCRQJXPPQ-UHFFFAOYSA-N 360.396 3.814 0 1 FHAF C[C@H](NC(=O)c1ccccn1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356302593 ZOZVXLXWVWYVLG-JTQLQIEISA-N 371.780 3.579 0 1 FHAF CC(C)(C)c1ccc(CN2C(=O)c3ccccc3[C@]23CC(O)=NC3=O)cc1 27523464 QBQNSAWEEDPKJD-QFIPXVFZSA-N 362.429 3.722 0 1 FHAF COc1cc(O)c(C(=O)c2ccc(O)cc2)c2c1-c1ccc(O)cc1CC2 13480518 JJDDGXAZWOHMGF-UHFFFAOYSA-N 362.381 3.809 0 1 FHAF biogenic CCCc1nc2c(C)cccc2n1Cc1ccc(CCc2nnn[nH]2)cc1 45255267 WNJDMVOAVMFECT-UHFFFAOYSA-N 360.465 3.644 0 1 FHAF COC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2N(C)C1 40374585 ISVOYYWZUYYPHT-BPAFIMBUSA-N 352.478 3.889 0 1 FHAF CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccc(C)cc1 96903293 WFTRSMOQEDFTCC-IBGZPJMESA-N 355.478 3.550 0 1 FHAF CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@H]2CO 95877931 NVJLVHOQCBPQQV-XJABCFGWSA-N 368.452 3.603 0 1 FHAF COC(=O)C1=CCC[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 238788946 UEFMMKXOAVFFCD-MJWYBRSISA-N 366.461 3.605 0 1 FHAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(NC(=O)OC(C)(C)C)C1 587469036 GKXHRUYXCUJVLC-UHFFFAOYSA-N 361.438 3.736 0 1 FHAF COC(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c12 587109965 YINHXVCRLFFCAJ-UHFFFAOYSA-N 364.279 3.734 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(OC)ccc1OC 587870209 BSTWUGBVCWXPOI-UHFFFAOYSA-N 370.380 3.794 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc3ccc(Cl)cc3n1C)O2 587380902 XVRWJKFSVVELHS-IBGZPJMESA-N 355.825 3.998 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(O)cc(O)c2)N1 587832898 LDJIOFJRCJLVJQ-HUTHGQBESA-N 366.230 3.797 0 1 FHAF COCCn1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757934 WEYHGTYHNGGCFI-DIFFPNOSSA-N 367.262 3.660 0 1 FHAF CCc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)CC)cc3[nH]2)cc1 587956636 IJDMLFJLTOKGFP-UHFFFAOYSA-N 370.474 3.734 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(COCc3[nH]ccc32)[C@H]1c1ccc(F)cc1 587346720 MYXBMJHLHVRKDK-FPOVZHCZSA-N 365.360 3.644 0 1 FHAF COC(=O)c1cccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 587233236 KQGVDRWFJHMYHL-WCQYABFASA-N 359.426 3.510 0 1 FHAF COC(=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2n1 587242503 NJFWOVDZXMWONY-UHFFFAOYSA-N 360.373 3.861 0 1 FHAF COc1ccc(OC)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1OC 587789663 AKOPVUFRSBFAEJ-UHFFFAOYSA-N 354.193 3.958 0 1 FHAF CCn1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587768111 ZYHHMSRBFJYPEK-QFYYESIMSA-N 352.251 3.602 0 1 FHAF COc1cccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1O 587787503 VTDHBXKBQYJGQN-UHFFFAOYSA-N 354.591 3.755 0 1 FHAF O=C(O)c1cccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587136204 LFHJYPJQDGIIOK-UHFFFAOYSA-N 353.122 3.969 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)ccn1)[C@@H](C2)C3=O 587417488 LDLPMMQTABFJTN-YVEFUNNKSA-N 360.207 3.516 0 1 FHAF CCCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587584282 ZGKJMXXKGXUZMN-XLIONFOSSA-N 350.374 3.702 0 1 FHAF COCCCn1c(C)c(C)c([C@H]2NCCc3c2c(C(C)C)nn3C)c1C 962917020 KDOQTKYBAGTIBM-OAQYLSRUSA-N 358.530 3.542 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@H]3C[C@H]1CCCCC12OCCO2 963056082 KXHOLZQHDPFABO-SJLPKXTDSA-N 368.477 3.754 0 1 FHAF CC[C@@H](C)[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204407631 PCTXAJKBMRKWDZ-WBMJQRKESA-N 353.388 3.659 0 1 FHAF Cc1ccccc1-c1nc(CN2CCC(C(=O)NC(C)C)CC2)c(C)o1 5043357 ZQFLEUPLNPXOBH-UHFFFAOYSA-N 355.482 3.695 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1OC1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 13860993 SPRAISFZWHQEFO-ZLCHHYBTSA-N 356.466 3.595 0 1 FHAF CC(=O)Oc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@@H](C)OC2=O 14887350 CTKJAUGEWDLMLQ-FLUIGGAXSA-N 360.406 3.799 0 1 FHAF endogenous,in-man C[C@H](Cc1ccc(Cl)cc1)n1c(O)cc(=O)n([C@@H]2C[C@@H]3CC[C@@H]2C3)c1=O 169729789 NJGIWGDFJBKGJA-DNNBLBMLSA-N 374.868 3.534 0 1 FHAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1 775182 MAWMPCYKQBEDOR-LRDDRELGSA-N 372.396 3.878 0 1 FHAF COc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)O)C[C@@H]2C(C)C)cc1 2356300312 GWPGXPDKGZTCFI-JENIJYKNSA-N 359.466 3.754 0 1 FHAF C[C@H](Cc1ccc(Cl)cc1)N1C(=O)CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1=O 101677985 XRMFYWPUUCWBAI-MMTVNHQJSA-N 374.868 3.641 0 1 FHAF CCCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(Cl)ccc1C 103178240 WKFRGDSFSBVHDJ-UHFFFAOYSA-N 374.872 3.837 0 1 FHAF COC(=O)CCC(=O)Nc1cccc(Oc2ccc3ccccc3n2)c1 29229728 SMWXTGZZIKEKIC-UHFFFAOYSA-N 350.374 3.919 0 1 FHAF COc1ccc(C2=NN(C3CCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC 26507241 OPMPGFFLKCUJGU-SJORKVTESA-N 354.450 3.775 0 1 FHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)[C@@H]1C(C)(C)CCC[C@]1(O)CC2 2356572371 ZLVNAIYYLQTROQ-CTNGQTDRSA-N 362.466 3.916 0 1 FHAF Cc1ccc(Cn2c(C)c(C(=O)NCc3cccs3)sc2=O)cc1 61903543 SKPPJMOGVIPGEB-UHFFFAOYSA-N 358.488 3.566 0 3 FHAF CC(=O)c1cccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)c1 2108604 OMBLCBXOOKTLES-JOCHJYFZSA-N 373.412 3.611 0 1 FHAF biogenic Cc1nc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 72113361 WDNOUFVJCUYSDQ-IAGOWNOFSA-N 351.281 3.523 0 1 FHAF CN1CCN(c2ccnc3cc4c(cc23)N(Cc2ccccc2)CC4)CC1 45324522 FCJYHFOPLIJTRW-UHFFFAOYSA-N 358.489 3.549 0 1 FHAF COc1ccc(C(=O)C[C@H](C(=O)Nc2ccccc2)N2CCCCC2)cc1 45386048 WAVWZXOIGCOVHU-HXUWFJFHSA-N 366.461 3.761 0 1 FHAF COc1ccc(CNC(=O)c2coc(-c3cccc(Cl)c3)n2)cc1OC 49054591 BDLQOARHOQUOHU-UHFFFAOYSA-N 372.808 3.942 0 1 FHAF COc1ccccc1Oc1cncc(NCc2cccc(OC)c2OC)n1 82068662 MMWBAVGVRQMAMH-UHFFFAOYSA-N 367.405 3.907 0 1 FHAF CC1(C)C=Cc2cc(CN(C3CC3)S(=O)(=O)c3ccccn3)ccc2O1 95553701 FFAQNYPANGXQNM-UHFFFAOYSA-N 370.474 3.619 0 1 FHAF C[C@@H](C(=O)NC(C)(C)C)n1c(-c2ccc3c(c2)OCO3)nc2ccccc21 95600671 SURPGYKJSADGBR-ZDUSSCGKSA-N 365.433 3.908 0 3 FHAF O=C1NC[C@H](CC2CCCCC2)N(CCc2cccc3ccccc23)C1=O 95605172 NOIDGMIYZNAFBV-FQEVSTJZSA-N 364.489 3.680 0 3 FHAF CC1(C)CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 140115585 NFPXTLJXZOOFTH-UHFFFAOYSA-N 359.477 3.865 0 1 FHAF O=C(N[C@H]1CCC[C@@H](NC(=O)c2cccc(Cl)c2)C1)c1cccc(F)c1 95591455 YLQJLHCKRNGVIP-MSOLQXFVSA-N 374.843 3.950 0 1 FHAF O=C(O)C[C@@H]1COc2cc(OCc3nnc(-c4ccccc4)s3)ccc21 653737624 LPNYZFQHRPMOEJ-CYBMUJFWSA-N 368.414 3.735 0 1 FHAF CN1CCC[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342554 FJRGDRQWIARENE-TZIWHRDSSA-N 355.409 3.745 0 1 FHAF OCCc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587092086 ROXDFGNJEDDFGE-UHFFFAOYSA-N 353.369 3.814 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(F)cc3)c1C)O2 587383690 DVOJKWYZRUARJW-LJQANCHMSA-N 351.381 3.917 0 1 FHAF Nc1cncc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587254698 VICIWYANSOTIRI-UHFFFAOYSA-N 357.133 3.988 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(F)c1 587555693 RDINTLUTNJEHNZ-XLIONFOSSA-N 352.317 3.940 0 1 FHAF COc1cccc([C@@H](C)Cc2nc3ccc(OCCN(C)C)cc3[nH]2)c1 587929488 BIZWLFJASRLGCT-HNNXBMFYSA-N 353.466 3.858 0 1 FHAF CC(C)N1C[C@H](C)[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587759328 FXDITXIYUBGMEI-JKDFXYPNSA-N 355.295 3.678 0 1 FHAF COc1cccc(C(=O)c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)c1 587932154 ORQKXGBCZGTIRQ-UHFFFAOYSA-N 364.792 3.865 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005626 NKUXFOXSEPDTRX-LBPRGKRZSA-N 366.606 3.765 0 1 FHAF CCN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345951 QTVHLHAYDLRTNL-IBGZPJMESA-N 355.409 3.745 0 1 FHAF COc1ccc(-c2cccc(-c3nc4ccc(C(N)=O)cc4[nH]3)c2)cc1O 587786678 OGBMZYXPDWPYAV-UHFFFAOYSA-N 359.385 3.710 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CO)c1)CC2=O 587481252 QIJPJWNUBSGBKZ-OAQYLSRUSA-N 356.418 3.726 0 1 FHAF COc1cccc2cc3c(nc12)[C@@H](c1cn2cc(Cl)ccc2n1)NCC3 963039335 USZNYLGMEGFHFT-HXUWFJFHSA-N 364.836 3.780 0 1 FHAF COc1ccc2c(c1)[C@H](c1cc(OC)c(OC)c(OC)c1)N[C@H]1CC[C@H]21 962990888 CHFKUMLJAMFOFQ-SYNHAJSKSA-N 355.434 3.660 0 1 FHAF COc1ccc(N)c([C@]2(C(F)(F)F)NCCc3ccc(F)c(C)c32)c1 962091465 KSDBKUASJUIYKI-KRWDZBQOSA-N 354.347 3.677 0 1 FHAF Cc1cccnc1[C@@]1(c2ccccc2F)NCCc2nc3ccccn3c21 962992467 GPRRTILUKFFDQI-JOCHJYFZSA-N 358.420 3.614 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=COc3cc(C(=O)O)ccc32)N1 962946364 LVJVACPGKUKTMK-PEBXRYMYSA-N 360.413 3.940 0 1 FHAF CC1=CC(=O)N(Nc2nc(C3CCCC3)nc3sc(C)c(C)c23)C1=O 1772656437 BAECAQMTSMAJQI-UHFFFAOYSA-N 356.451 3.608 0 1 FHAF O=c1c(Cl)c[nH]c2cc(CN3CCN(c4ccc(F)cc4)CC3)ccc12 1772646088 KTVQZGUSOQKTQP-UHFFFAOYSA-N 371.843 3.643 0 1 FHAF CCCOc1ccccc1-c1nc2c(c(C)nn2Cc2ccccc2)c(=O)[nH]1 12360806 YVDYLDUYVWTJIK-UHFFFAOYSA-N 374.444 3.932 0 1 FHAF CN(C)C(=O)C[C@@]1(O)CCC[C@@H](/C=C/[C@@H](O)CCCCc2ccccc2)C1 27903805 LQQOFRLZJKZLCO-KDNBHAJISA-N 373.537 3.716 0 1 FHAF CCOC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccn3CC)cc1)N2 100875860 TUTFNCHCPZEQJC-VNYTWHDVSA-N 352.478 3.962 0 1 FHAF COc1cc2c(cc1OC)-c1ncc3cc(OC)c(OC)c(OC)c3c1C2 28468055 MHSBZASKIHLCEH-UHFFFAOYSA-N 367.401 3.849 0 1 FHAF Cc1cnc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)s1 103241463 KPFLZHSPDZBLQZ-UHFFFAOYSA-N 360.458 3.650 0 1 FHAF CCN(CC)CCN1C(=O)c2c(c3sccc3c3ccccc23)C1=O 29124388 CJAHAHFNDYLXGE-UHFFFAOYSA-N 352.459 3.992 0 1 FHAF CNC[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 26578841 FEDPGNYQAWCUTK-SFHVURJKSA-N 363.288 3.881 0 1 FHAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cnccc2Cl)cc1 27098420 OJUCYGLPJRUYEL-UHFFFAOYSA-N 368.245 3.645 0 1 FHAF COCCNC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)CC1 61927415 HWZZIQNXHGBEJF-JOCHJYFZSA-N 366.505 3.718 0 3 FHAF CC(C)COC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1 27857202 FQNNHWRWLLSJEC-UHFFFAOYSA-N 362.857 3.985 0 1 FHAF N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(F)cc1)C(=O)O 27102758 OKNDVBGKGLECQV-OBHPCNEJSA-N 369.373 3.819 0 1 FHAF CNC(=O)c1ccc([C@@H]2CCCN2C/C=C/c2ccccc2OC)s1 23367571 BFPZKHQOAZDSBE-WHWKNOJMSA-N 356.491 3.967 0 1 FHAF CN(CC[C@H]1CN(C(=O)C2CCCC2)CC[C@@H]1CC(=O)O)c1ccccc1 2356874280 YUNFJIJUISZUHY-MOPGFXCFSA-N 372.509 3.643 0 1 FHAF CN1C/C(=C\c2cccs2)C2=NC(=S)N[C@H](c3cccs3)[C@@H]2C1 34073491 FMDRPUQOKDUQEP-HDEOUBMNSA-N 359.545 3.825 0 1 FHAF CC(C)Oc1ccc([C@@](O)(c2cccnc2)c2cnc(Cl)nc2)cc1 72102680 NXBLIGLFMRGDMZ-LJQANCHMSA-N 355.825 3.596 0 1 FHAF COc1ccccc1-c1cc(NC(=O)CCCCN2CCCCC2)n[nH]1 84740601 YJOREKPBKODAPH-UHFFFAOYSA-N 356.470 3.680 0 1 FHAF CN(C)CCCOC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 84739899 YACKXJGZAWFXPL-UHFFFAOYSA-N 363.361 3.695 0 1 FHAF CCCCCNc1ncnc2c1nc(CCC)n2CCN1CCCCC1 82186836 MFXSFLCWPACEIM-UHFFFAOYSA-N 358.534 3.867 0 1 FHAF O=C(Cc1ccccc1)N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199358465 RGPKRGTXASMKMB-IBGZPJMESA-N 370.880 3.580 0 3 FHAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)no1 140146154 QRQPLVABXDXOPE-ZDUSSCGKSA-N 361.829 3.760 0 1 FHAF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@@H](O)c4ccccc4)[C@H]3C[C@H]12 299884057 SLDUYXKXVCDJLB-UCTHVYFCSA-N 369.505 3.624 0 1 FHAF COc1ccc(C[C@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653766972 RQOCMWPZVSCAQZ-INIZCTEOSA-N 371.433 3.568 0 1 FHAF Cc1ccc2c3c(cc(-c4cnc(C(=O)O)cn4)nc13)-c1ccccc1C2=O 587097291 MXYBXDIGZPPFKS-UHFFFAOYSA-N 367.364 3.910 0 1 FHAF Cc1nc(-c2cccnc2)nc(-n2ncc3ccc(Cl)cc3c2=O)c1C 587653211 RSWKFMSZSPGAGB-UHFFFAOYSA-N 363.808 3.508 0 1 FHAF C[C@@]1(c2nc3cc(F)c(F)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174785 SJNSCYMRWMUKAN-KRWDZBQOSA-N 350.271 3.748 0 1 FHAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4[nH]c(Cl)nc(C(F)(F)F)c-4n1)(C3)C2 587970062 XWDVZJJRVVDGCK-DIZVDGNNSA-N 370.762 3.624 0 1 FHAF CC(C)N1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587593195 JYCXROQCMDPJCC-RXVVDRJESA-N 353.418 3.597 0 1 FHAF CC(C)(C)OC(=O)NC1(c2nc3cccc(Cl)c3[nH]2)CCC(O)CC1 587237267 PHZUALIXSXJSIR-UHFFFAOYSA-N 365.861 3.871 0 1 FHAF COc1ccc(CCCc2nc3cc(C(=O)O)c(F)cc3[nH]2)c(OC)c1 587929510 VUGRLAASOBRYQH-UHFFFAOYSA-N 358.369 3.593 0 1 FHAF CCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347079 LBMHHSMZJOXZKR-AZUAARDMSA-N 358.365 3.602 0 1 FHAF COC(=O)[C@@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587806023 IIMGBVCTNAJKJS-ZPQPFTAQSA-N 370.262 3.537 0 1 FHAF Cc1ccc2c3c(c4c(nc13)[C@@H](S(C)(=O)=O)CC4)-c1ccccc1C2=O 587101209 DGOAIFIOTYVNNC-INIZCTEOSA-N 363.438 3.787 0 1 FHAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 586984493 RIWYNCGYYYEWPN-SNVBAGLBSA-N 370.172 3.985 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(OC)c(OC)c1C)[C@@H](C2)C3=O 587440803 CRIGFURTBGWLSN-AOMKIAJQSA-N 368.429 3.770 0 1 FHAF COc1ccc(O)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587805766 HRDWOYCYDKRABB-XLFHBGCDSA-N 366.230 3.926 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3cnn(C)c3)cs1)CC2=O 587493769 GPNZMDOWTZOUEM-QGZVFWFLSA-N 369.446 3.908 0 1 FHAF O=C(O)c1ccccc1/C=C/c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586879350 LPTDFXLNKLASNY-AATRIKPKSA-N 368.702 3.845 0 1 FHAF Nc1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553775 VXPVKBKYNDDNBK-YJBOKZPZSA-N 368.776 3.726 0 1 FHAF Cc1ccnc2c1CCN[C@]2(c1ccsc1)c1ccc(CC(=O)O)s1 963073643 WYYSKGCSXITDRG-LJQANCHMSA-N 370.499 3.578 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@H](c3cccc(-c4ccncc4)c3)c3cccc1c32 963028954 PKEJWOVHUDOZGV-JPYJTQIMSA-N 355.441 3.891 0 1 FHAF C[C@@]1(CC(=O)c2ccccc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962773522 XASBFUNKRVUCEC-APWZRJJASA-N 361.363 3.821 0 1 FHAF COCCCOc1cccc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1 963631344 CYBYXLZAQRHOHD-NYHFZMIOSA-N 371.477 3.743 0 1 FHAF O=C1[C@@H]2C=CC=C[C@@H]2[C@@H](c2ccc3c(c2)OCO3)N1c1ccc2nc[nH]c2c1 1772652132 UHULLJMZEXMKEN-GCKMJXCFSA-N 371.396 3.738 0 1 FHAF CC(C)(CC12CC3CC(CC(C3)C1)C2)NC(=O)CC[C@]1(C)CCC(=O)N1 11784037 XIUUMXPUWKNBBH-YCTUMZAHSA-N 360.542 3.937 0 1 FHAF Cc1nc([C@H](CC2CC2)NC(=O)c2cccc(-c3cccc(F)c3)n2)no1 207741357 AYORGTGGCZGIEP-SFHVURJKSA-N 366.396 3.850 0 1 FHAF CN1c2ccccc2N(C(=O)c2ccccc2)[C@@H](CC(=O)O)c2cccn21 1629071 KQJDYJBNQCGBPQ-IBGZPJMESA-N 361.401 3.564 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N1CCOCC1 4216474 SNVUVMVCBOOZCU-SJORKVTESA-N 350.484 3.621 0 1 FHAF O=C(NC1CCCCCC1)c1cccc2c1C(=O)N(Cc1cccnc1)C2 4920046 AXWDDFBIHPGOQD-UHFFFAOYSA-N 363.461 3.690 0 1 FHAF CNC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN32 100807975 RZFLKYKMLWACOU-SKXYVWFGSA-N 351.277 3.606 0 1 FHAF C[C@H]1CN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)CCN1 58519668 SSHVKILHGYEXEJ-KXBFYZLASA-N 367.493 3.589 0 1 FHAF CN1C[C@H](C(=O)NC2CCCCC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 27729582 KOFNTRSDRGFTGZ-XFQXTVEOSA-N 351.494 3.577 0 1 FHAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(N2CCCC2=O)c1 113543374 KGWIQURWINETQK-MRXNPFEDSA-N 366.461 3.554 0 1 FHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@H](Cc5ccc(=N)[nH]c5)C4)(C[C@@H](N)[C@H]31)O2 2356505339 AYQIYMYUYUADHZ-HDZOOBDWSA-N 369.553 3.908 0 1 FHAF O=C(O)CC/C=C\C[C@@H]1CN(Cc2cccnc2)C[C@@H]1c1ccccc1O 27104350 OKSUIOUMDPPHKG-OTQNLKPASA-N 366.461 3.814 0 1 FHAF CCOc1ccc(-c2cccnc2)cc1-c1ccc2c(N)nc(N)nc2c1 72116525 MDSKHVBXATUZID-UHFFFAOYSA-N 357.417 3.922 0 1 FHAF CCCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 16040729 VZCGQPPERJYZQH-GOSISDBHSA-N 367.493 3.579 0 1 FHAF biogenic CC(=O)NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1 45255619 BIJLDOOVHGOJNC-UHFFFAOYSA-N 360.461 3.649 0 1 FHAF CNC(=O)C(C)(C)NC(=O)c1ccc(C2CC2)c(-c2cccc(Cl)c2)n1 143377226 NUDFOKPZCULQMP-UHFFFAOYSA-N 371.868 3.534 0 1 FHAF COc1ccc(-c2cc3c(o2)CCC[C@@H]3OCCN2CCOCC2)cc1 95568036 VHMDQQNITPNKKF-IBGZPJMESA-N 357.450 3.681 0 3 FHAF O=C(Nc1cncc(Oc2cncnc2)c1)c1cccc(Br)c1 96175657 HEPYTKLXVCHJCX-UHFFFAOYSA-N 371.194 3.679 0 1 FHAF O=C1c2ccccc2C(=O)N1CCCCCNCc1cccc(Cl)c1 299861188 KTSMPOOZTUCYQH-UHFFFAOYSA-N 356.853 3.896 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 586916663 NERDYUUVWDNXII-VLIAUNLRSA-N 368.364 3.617 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cc(C)on3)c1C)O2 587388463 CBJDEAFMMHHKCS-GOSISDBHSA-N 351.406 3.988 0 1 FHAF COc1ccc(C=O)c(-c2nc3c(Cl)ncc(Cl)c3[nH]2)c1OC 587786103 HXUCPBJRVHCSRK-UHFFFAOYSA-N 352.177 3.761 0 1 FHAF Cc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587608599 LTLYSJIGQCEZAI-GHTZIAJQSA-N 364.353 3.815 0 1 FHAF CC1(C)C[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCO1 587618275 TVJMOXMMSDMQQI-ASUYLVSUSA-N 354.402 3.928 0 1 FHAF Fc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c(F)c1F 586966645 HLUCHSHROLNRKQ-UHFFFAOYSA-N 363.324 3.718 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CCC1)([C@H](C)NC(=O)OC(C)(C)C)O2 587392114 WRSXOBPESYMCAY-YEJXKQKISA-N 374.481 3.995 0 1 FHAF COC(=O)[C@H](F)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586985720 FKIHXZYXXRXPPC-QGZVFWFLSA-N 351.333 3.644 0 1 FHAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1OC 587527035 UKSLNZVYOQZBCP-SFHVURJKSA-N 354.402 3.995 0 1 FHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587787425 VNKBVHXMGANHCG-RYUDHWBXSA-N 372.327 3.828 0 1 FHAF Cc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 587187474 HICUZNDUJSJTLO-UHFFFAOYSA-N 374.185 3.791 0 1 FHAF COc1cc(C)nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587590633 ZKHVCOJYRXXXRV-RXVVDRJESA-N 363.369 3.807 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCNCC3)s1)CC2=O 587493877 IKOQJZVXCILKSY-KRWDZBQOSA-N 372.490 3.522 0 1 FHAF Cc1noc(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587793074 JJKBQGUFRCSOKN-VPTHRUTESA-N 353.235 3.991 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2N)N1 587730796 KTTZHEPIFORDHY-PWJLMRLQSA-N 353.210 3.933 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(OC(C)C)cc3[nH]1)C2 587246236 FDYQSMLBIPCQGS-NRFANRHFSA-N 351.450 3.702 0 1 FHAF O=C(O)COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521553 IHJUXADNOQZLEX-IBGZPJMESA-N 352.386 3.735 0 1 FHAF COC(=O)c1cc2[nH]c(-c3c[nH]cc3-c3scnc3C)nc2cc1OC 587027305 ARZYEQWVLLQCRH-UHFFFAOYSA-N 368.418 3.785 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2cc[nH]c2c1 587591000 UAKRNWRXEHHQIZ-GHTZIAJQSA-N 358.353 3.971 0 1 FHAF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc(N)cc1Cl)NCC3 963043918 ARBKIIWIPRSXBI-HXUWFJFHSA-N 353.853 3.888 0 1 FHAF CCc1ccc([C@]2(C[C@@H](C)CC(=O)O)NCCc3ccc(O)cc32)cc1 963330307 WOEZVXYQGXNEQK-NYHFZMIOSA-N 353.462 3.845 0 1 FHAF COc1ccc(OC)c(-c2cc(=O)c3c(OC)c(OC)ccc3o2)c1OC 14644226 KHAJXTXUCWNYAU-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF biogenic,in-vitro COc1cccc(C2=N[C@](C)(CC(=O)Nc3cccc(Cl)c3)ON2C)c1 205212714 QYIQXAMVLAQDBN-IBGZPJMESA-N 373.840 3.717 0 3 FHAF CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccsc1 775735 ULNGEJKWLZHWSH-AAEUAGOBSA-N 350.484 3.837 0 1 FHAF Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2c(C)noc2C)cc1C 1368394 SUBDGJXXZFTGKG-UHFFFAOYSA-N 369.465 3.614 0 3 FHAF CCCCCCN1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O 2111741 GTVPRNOAICNQFG-OAQYLSRUSA-N 369.465 3.792 0 1 FHAF biogenic O=c1[nH]c(CNc2nnc(-c3ccc(Cl)cc3)s2)nc2ccccc12 103204860 FSVXGGLEGGXEGV-UHFFFAOYSA-N 369.837 3.707 0 1 FHAF COc1ccc(CN2CC[C@@H]3COC(=O)N3c3cc(C)ccc3C2)cc1 2356293443 HFMIRPUHVGXFRU-GOSISDBHSA-N 352.434 3.735 0 1 FHAF CCCN1CCC(C(=O)N[C@@H](c2ccc(F)cc2)c2ncccc2C)CC1 61927147 YEUUBTSOVXVSBJ-NRFANRHFSA-N 369.484 3.857 0 3 FHAF O=S(=O)(O)c1cc(O)c2ccc(NC(=S)Nc3ccccc3)cc2c1 35274487 SFBQWHCHMUZBSJ-UHFFFAOYSA-N 374.443 3.601 0 1 FHAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cnccn2)c1 43011364 YDSTUCPHIUUXBH-UHFFFAOYSA-N 351.454 3.648 0 1 FHAF Fc1cccc(CNc2ncnc3c2nc(C2CC2)n3C[C@@H]2CCCO2)c1 82184710 QPEMASLBEWXFEK-INIZCTEOSA-N 367.428 3.634 0 1 FHAF CC[C@H]1C=C[C@@]2(O[C@@H]([C@@H](C)/C=C/C=C/C(=O)O)[C@@H](C)[C@@H](O)[C@H]2C)O[C@@H]1C 85812028 QBUNWYIRJPTIPL-XCHQIVFZSA-N 364.482 3.549 0 1 FHAF Cc1c2n(c3ccccc13)CC[C@H]1[C@H]2NCCN1CCOc1ccccc1 40818418 SENLLPLKILVHFI-FCHUYYIVSA-N 361.489 3.747 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CC(=O)N[C@H]1CCOc2ncccc21 146643377 BJKVMKCJNMEKNR-HNNXBMFYSA-N 351.233 3.879 0 1 FHAF CCCN1CCc2cc(OC)c(O)c3c2[C@@H]1Cc1cc(OC)c(OC)cc1-3 95589743 VOUFDSCQEPRICK-INIZCTEOSA-N 369.461 3.950 0 1 FHAF O=C(O)C1=Cc2c([nH]c3ccccc23)C(=O)[C@@H](c2c[nH]c3ccccc23)N1 142042106 WAYCTJIOHZZDEI-LJQANCHMSA-N 357.369 3.602 0 1 FHAF C[C@@H](c1ccc2[nH]ccc2n1)N(C)c1nccc(Nc2cc(C3CC3)[nH]n2)n1 147095375 GTAKUJFUJVMIPM-LBPRGKRZSA-N 374.452 3.894 0 1 FHAF CSc1cnc2n1C[C@@](C)(COc1ccc(OC(F)(F)F)cc1)O2 653743768 OADMXBRANBPWPC-AWEZNQCLSA-N 360.357 3.734 0 1 FHAF Brc1cnc2c(-c3nc4cc5[nH]ncc5cc4[nH]3)cccn12 587006838 CBHJZXFBYBVXIJ-UHFFFAOYSA-N 353.183 3.516 0 1 FHAF CC[C@@]1(c2ccnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757715 HOBNBPMSVFMJDP-MGPLVRAMSA-N 352.251 3.510 0 1 FHAF Cc1cnn(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587759346 KHXBLNRKTWMXKZ-BDJLRTHQSA-N 352.251 3.543 0 1 FHAF Nc1ccnc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc12 586959074 IMHCGPWWQIFPSB-SANMLTNESA-N 362.458 3.578 0 1 FHAF CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587599949 JHHHFSXAGWALTN-LZJOCLMNSA-N 354.402 3.928 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(OCC)ccc21 587482840 JTLJUZJYYBMLBN-NRFANRHFSA-N 367.401 3.556 0 1 FHAF Nc1cccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575327 JDTXXIJCMDVSNP-DENIHFKCSA-N 359.381 3.778 0 1 FHAF COC(=O)C[C@H](C)Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587785296 MRNQPXRDKOLNDQ-SSDOTTSWSA-N 350.724 3.857 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2ccc3ncccc3c2[nH]1)C(C)C 586933622 UNNIDJAMMSBVNB-INIZCTEOSA-N 360.483 3.528 0 1 FHAF Oc1nc(S)nc2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 587048043 PIMZMXOKZZFGDT-RITPCOANSA-N 353.234 3.925 0 1 FHAF CN(C)/C=C/[C@@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587536272 TYTIMQDJQCYNJA-BQYDLMEBSA-N 354.475 3.958 0 1 FHAF CN1CCN(c2ccc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)CC1 586887362 GHHCJAOIJUFBTH-FWTHMSADSA-N 350.510 3.783 0 1 FHAF CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CN(C)C 587427848 GNLUTDCNZAZEMN-VGOFRKELSA-N 367.445 3.644 0 1 FHAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587259046 ABTDZUBOYYGXNU-SFHVURJKSA-N 372.428 3.697 0 1 FHAF Cn1c(Cl)c([C@@H]2NCCc3c(C(=O)O)cccc32)c2cc(C=O)ccc21 963151202 SGBVZAAEWCPBDP-GOSISDBHSA-N 368.820 3.578 0 1 FHAF Cc1cc([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c(C)o1 962650403 ZIMLLBRDGGQLEN-VXKWHMMOSA-N 364.445 3.807 0 1 FHAF CCOC1=C(C)[C@]2(CC1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962676525 ZNOZXDAPQMJOMO-FGZHOGPDSA-N 366.461 3.633 0 1 FHAF COc1c(O)c2c(c(O)c1C(C)C)[C@](O)(C=O)[C@@H]1C(C)(C)CCC[C@]21C 14719606 SXTOFVDFNJJCGK-HMXCVIKNSA-N 362.466 3.714 0 1 FHAF biogenic CC(C)CNC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167005532 KUUWKVSKLLSEFH-UHFFFAOYSA-N 355.413 3.759 0 1 FHAF O=C(O)[C@@H]1C/C(=C2\CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 1487656 XDKRVNKVAKCFGW-ZPWFJYARSA-N 368.820 3.799 0 1 FHAF Oc1nc(/C=C/c2cc3c(cc2Br)OCO3)nc2ccccc12 1857613199 AAIGLQCDIPHSSP-AATRIKPKSA-N 371.190 3.997 0 1 FHAF COc1c(C)cc(CN2CCN(c3ncccc3NC(C)C)CC2)cc1C 6521975 YRRLYHFCYZQQBT-UHFFFAOYSA-N 368.525 3.850 0 1 FHAF CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 100096253 LZNSCUPYUHJHPK-CILZCVJLSA-N 361.489 3.716 0 1 FHAF Cc1cc(C)cc(NC(=O)c2cccnc2SCc2cc[n+]([O-])cc2)c1 66066664 VYVGUGYPKCHAFY-UHFFFAOYSA-N 365.458 3.876 0 1 FHAF CCCCOC(=O)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@H]2[C@@H]1O 66058950 KSSLEJDPSBCEDM-HETMTNPWSA-N 358.478 3.789 0 1 FHAF Oc1ccc2ncn(-c3cccc(Br)c3C(F)(F)F)c2n1 118269817 HPTLZIAYMBFMKZ-UHFFFAOYSA-N 358.117 3.907 0 1 FHAF CC1(C)C=Cc2c(ccc3c2OC[C@H]2c4c(CO)cc(O)cc4O[C@@H]32)O1 2356586570 FZLIKSWBUHMHRZ-YWZLYKJASA-N 352.386 3.678 0 1 FHAF CC1=CCCC2=C[C@@H](OC2=O)c2cc(ccc2O)OC(C)(C)[C@H](O)CC1 2356809699 ASDONKGQZJLQHS-RTBURBONSA-N 358.434 3.955 0 1 FHAF COCCNC(=O)[C@@H]1CCCN(Cc2ccccc2-c2ccccc2)CC1 61903725 JJEQROKAKBSZLM-HXUWFJFHSA-N 366.505 3.718 0 3 FHAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3cccn3C)cc2)C[C@H]2CC[C@@H]1N2C 36271198 NXORNPDSIJCZRC-RMVXJAJNSA-N 352.478 3.822 0 1 FHAF O=C1Cc2ccccc2[C@@H](c2ccc(NC(=O)NCc3ccccc3)cc2)N1 33823698 KZJFAPXRGCCXCR-JOCHJYFZSA-N 371.440 3.770 0 1 FHAF O=c1cc(Cc2c(F)cccc2F)nc(SCCc2ccccc2)[nH]1 40918515 HGCMTYSIBQZUHS-UHFFFAOYSA-N 358.413 3.974 0 1 FHAF CN(c1ccccc1CSC(=N)N)c1ccccc1CSC(=N)N 84687532 KJSYRZXHWDPKPP-UHFFFAOYSA-N 359.524 3.708 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 146840155 FHWOSRUUSHMKKA-JMVPUORKSA-N 356.466 3.595 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C\Br)cc2)C[C@H]2CC[C@H]1N2C 230558879 QRRDJSMVPRYYBA-VOZWJMJSSA-N 364.283 3.792 0 1 FHAF CNc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1 253851006 IDEQYAAWVDARGG-WKILWMFISA-N 367.428 3.664 0 1 FHAF C[C@H](CN1C(=O)CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(Cl)cc1 299847602 FNLOYSHYLCJHER-RPCCPQHDSA-N 374.868 3.813 0 1 FHAF O=C(O)c1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n[nH]c2c1 587527208 TYRZOUPNXUQDGX-GOSISDBHSA-N 362.385 3.846 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)COC(C)(C)O4)[C@@H](C2)C3=O 587455258 LBGMOFOGPFMHAJ-YWZLYKJASA-N 352.386 3.829 0 1 FHAF CCCOc1ccccc1[C@@]1(CN)CC(=O)c2ccc(O)c(CCC)c2O1 587473609 YLOVTQZOPXOVKN-QFIPXVFZSA-N 369.461 3.953 0 1 FHAF CCCCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587401639 UWYBUKKPQRIUOU-NRFANRHFSA-N 350.418 3.585 0 1 FHAF Fc1cnc(Cl)c2[nH]c(-c3nc(Cl)cnc3Br)nc12 587005380 GMMDOSYDEACMMZ-UHFFFAOYSA-N 362.977 3.623 0 1 FHAF COc1cc(OC)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)=O 587400254 PPRAWFHJXVLYEM-OAQYLSRUSA-N 369.417 3.678 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cccc(C(C)(C)C)c2[nH]1 587225768 SYFKGFIMYOLGAV-AWEZNQCLSA-N 351.450 3.944 0 1 FHAF CC(C)OC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349904 QSUWLXTUVCZTBQ-FPOVZHCZSA-N 372.392 3.991 0 1 FHAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587599947 JHHHFSXAGWALTN-CBGDNZLLSA-N 354.402 3.928 0 1 FHAF COC(=O)c1cc2nc([C@@H](N)[C@H](C)F)[nH]c2c(F)c1Nc1ccccc1 587125265 RYSDWALKPWBKIY-XPTSAGLGSA-N 360.364 3.590 0 1 FHAF Cc1onc(-c2nc3cc(N)c(N)cc3[nH]2)c1COc1ccccc1Cl 587063209 IFTBDFNSSPTXKQ-UHFFFAOYSA-N 369.812 3.923 0 1 FHAF CCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797049 VGFFFOZJPNTSMK-QLJPJBMISA-N 358.251 3.681 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ncccc2[nH]1 587585972 AFAVQIXJLYDDHR-WIYYLYMNSA-N 358.353 3.971 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn3nccc3c2)N1 587793053 JJHYHJYJBFNEHP-BMLIUANNSA-N 360.230 3.860 0 1 FHAF CCc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587776366 WZEFYSNHOCFBFY-JDNHERCYSA-N 350.235 3.564 0 1 FHAF Brc1nccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587017518 XPJWQXMRQZNDOJ-SECBINFHSA-N 351.229 3.695 0 1 FHAF Cc1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587774124 LPQZUKBWERGPEN-RBHXEPJQSA-N 364.262 3.927 0 1 FHAF CN1C(=O)C[C@H]2CN[C@](C)(c3cccc(N4CCCC4)c3)c3cccc1c32 963021375 GRBRPLXVPZQBAV-QMHKHESXSA-N 361.489 3.604 0 1 FHAF CON/C=C/[C@]1(c2ccc(F)cc2)NCCc2c(OC)ccc(Cl)c21 963256527 DEIDHCYBCMXECY-FMAYLGMYSA-N 362.832 3.542 0 1 FHAF COc1ccc([C@@]2(C(F)(F)F)NCCc3c2c(C(C)C)nn3C)cc1 962915255 UXDOYZHNCDBMPT-QGZVFWFLSA-N 353.388 3.504 0 1 FHAF NS(=O)(=O)c1ccccc1NC(=O)N(c1ccccc1)c1ccccc1 5774116 OGLWLXHYZCDFOP-UHFFFAOYSA-N 367.430 3.704 0 1 FHAF Cc1ccc(C(=O)N[C@H]2CCCCN(Cc3ccccc3C)C2=O)cc1 200050502 HDTUVUCGAUSYRG-FQEVSTJZSA-N 350.462 3.615 0 3 FHAF CCCCS(=O)(=O)Nc1cc(C)ccc1Oc1ccc(C(=N)N)cc1 1857547063 CMZUCZDGFCLQSH-UHFFFAOYSA-N 361.467 3.613 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214671 KALISVBWZTZWPV-BVBHFADKSA-N 362.470 3.713 0 1 FHAF CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CCN(C)C 7991810 AQGQHMKOSAYPRG-UHFFFAOYSA-N 352.486 3.575 0 1 FHAF CCC1=CC[C@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3)[C@@H](C(=O)OC)C[C@]42CN(C)C1 2356454520 ONAGOPFNNJDPCW-UGKDEMOMSA-N 371.521 3.928 0 1 FHAF COc1cc2c(cc1OC)[C@@H](NC(=O)C(C)C)[C@H](OCc1ccccc1)C2 61959100 BNCQZIRXBNOUGO-NHCUHLMSSA-N 369.461 3.659 0 3 FHAF C[C@](O)(C(=O)Nc1cccc(C(=O)c2ccccc2)c1Cl)C(F)(F)F 26376155 LHSKWVQEAJUPOG-INIZCTEOSA-N 371.742 3.823 0 1 FHAF CC(C)NCC(=O)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2 29219067 UKSBRGABIXUXLM-UHFFFAOYSA-N 374.488 3.734 0 1 FHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@@](C)(OC=O)CCC[C@@]12C 2356611758 JOEMUKDFVFJYNY-MQBSTWLZSA-N 364.482 3.946 0 1 FHAF COC(=O)[C@@H]1CCC[C@]23[C@H](C)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@H]12)[C@]43O 2356765090 NOYOVPKOEBZOML-RKKBMJFKSA-N 360.450 3.573 0 1 FHAF COc1ccc2c(c1)NC(=O)/C2=C\c1cc2c([nH]1)CCC[C@H]2CCC(=O)O 28704510 NUMXVKYVOSSCLA-NJPLLEPOSA-N 366.417 3.801 0 1 FHAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCCN(CCO)C3)cc12 226063284 ZNNREQBGMVPIDK-CQSZACIVSA-N 369.440 3.549 0 1 FHAF O=C(c1cnc(NCC2CC2)nc1-c1ccccc1F)N1CCCCC1 82151969 PKPWAUDWLRGRPO-UHFFFAOYSA-N 354.429 3.731 0 1 FHAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=C/C(=O)O)CC[C@]12O 84632031 CKAGCVSEDGEEFY-UPKOFFCASA-N 362.510 3.762 0 1 FHAF COC(=O)c1cc2cc(NC(=O)c3c(Cl)cccc3Cl)cnc2[nH]1 146774943 INHKTKGJEIKALZ-UHFFFAOYSA-N 364.188 3.909 0 1 FHAF CCCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NCC)cc1 95553181 ARGYIJWFMMTZLW-UHFFFAOYSA-N 361.467 3.581 0 1 FHAF C[C@@H](CN1C(=O)CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(Cl)cc1 299847598 FNLOYSHYLCJHER-HPZZRFSDSA-N 374.868 3.813 0 1 FHAF CN1C(=O)c2ccccc2C[C@@H]1CN1CCC2(CCc3ccccc32)CC1 653739222 FGHKLORYAMQWHS-HXUWFJFHSA-N 360.501 3.663 0 1 FHAF COc1ccc2c(n1)NCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587525660 OMOVSJSZDVUPCR-OAQYLSRUSA-N 350.418 3.645 0 1 FHAF Cc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1F 587197475 PKTIRVIVMHRPED-CYBMUJFWSA-N 363.433 3.927 0 1 FHAF O=S(=O)(c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)cc1)C(F)F 587873397 APRUENOMJKAYDK-UHFFFAOYSA-N 366.320 3.780 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2occc2C(=O)O)N1 587828510 NXQNSSFDBGCYTI-CPFSXVBKSA-N 354.175 3.503 0 1 FHAF CC[C@@]1(c2ccn(C)n2)N[C@H](C)Cc2cc(Br)c(F)cc21 587763615 KNVBNUAQGHEGPI-QLJPJBMISA-N 352.251 3.510 0 1 FHAF C[C@@]1(c2nccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554972 ZAGHLAYLBXPJSG-AUUYWEPGSA-N 368.776 3.713 0 1 FHAF Cc1nc(O)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587850265 DJZFLJZQLQWATO-KWKYVRJSSA-N 371.275 3.856 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccc4)[C@H](C)C1)[C@@H](C2)C3=O 587437871 LTNHJEMOGQTDCH-BIFSNJIPSA-N 363.457 3.866 0 1 FHAF CC(C)Oc1cc2nc(Cc3cccnc3N)[nH]c2cc1Br 587255124 YRVCMFBUTYHOFO-UHFFFAOYSA-N 361.243 3.681 0 1 FHAF CCOC(=O)C1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 586989179 AHPUOFOXMBRWEU-UHFFFAOYSA-N 359.381 3.747 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ccnn23)N1 587798373 VFQBMQNXHBEOOR-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF Oc1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586998654 NHZBWIRDYBKRJO-SNAWJCMRSA-N 359.179 3.930 0 1 FHAF CCOC(=O)[C@H](C(C)=O)c1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587107615 RWSUDVUJWOZYED-LJQANCHMSA-N 373.408 3.990 0 1 FHAF FC(F)(F)COc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccn1 587091605 MKKMVUXJPRUJSG-UHFFFAOYSA-N 373.237 3.888 0 1 FHAF CC[C@@]1(c2cnn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587763597 KJDGHDYKDLUUKO-BTDLBPIBSA-N 366.278 3.818 0 1 FHAF CCOC(=O)/C(=C/N(C)C)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587512733 OUFLHXVPFDGMBM-JIDPPIHHSA-N 371.477 3.688 0 1 FHAF COc1ccccc1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587521520 CFFIKJLKHBBHEZ-NRFANRHFSA-N 352.386 3.519 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(C)(=O)=O)s1)CC2=O 587488770 QVQJWLDUYLQZGU-CQSZACIVSA-N 366.460 3.516 0 1 FHAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(O)nc(O)nc2[nH]1 587011680 JLRNJARKAGZIJF-UHFFFAOYSA-N 359.798 3.516 0 1 FHAF CCCOc1cc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2cc1Br 586905880 FTYBKLBKVJWGTD-SECBINFHSA-N 367.243 3.923 0 1 FHAF CN(C)C(=O)C[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586988271 HZPSWHIANIFFNT-GFCCVEGCSA-N 372.424 3.660 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(C)(OCC)OCC 587870932 VWOFKCBGZIEOGK-UHFFFAOYSA-N 350.390 3.517 0 1 FHAF CC[C@]1(c2ccc(OC(=O)OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587398205 DBWXFKSYAZJERJ-HXUWFJFHSA-N 355.390 3.993 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3CC[C@H]2N3C)N1 587773550 ZNWHOKSTTKUNHU-YSHSQUNDSA-N 353.279 3.574 0 1 FHAF COc1cccc([C@@H](C)Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587930516 JGYNGZYKQBAUET-INIZCTEOSA-N 365.477 3.750 0 1 FHAF COc1cc2c3c(c1)O[C@](Cc1ccc4ccccc4c1)(C(=O)O)[C@@H](C2)C3=O 587447320 PUWPYOFGEYRKRL-MBSDFSHPSA-N 374.392 3.662 0 1 FHAF CC(=O)c1ccc2cccc([C@]3(C)NCCc4c3c(C(C)C)nn4C)c2n1 962917869 GXHVGQWAUIOLQS-QFIPXVFZSA-N 362.477 3.704 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)NCc3c(C)cccc3Cl)ncc12 1772641571 UCFNJCPBORQIOX-UHFFFAOYSA-N 358.833 3.673 0 1 FHAF Nc1nc(Nc2ccc(C(=O)O)cc2)ccc1C(=O)c1c(F)cccc1F 14945636 CVSDWWDMOFGSDC-UHFFFAOYSA-N 369.327 3.615 0 1 FHAF O[C@@H](CCCCCc1ccccc1)[C@H](O)c1ncc(-c2ccccn2)o1 14980154 XZUPDMGYFHCFFH-ICSRJNTNSA-N 352.434 3.934 0 1 FHAF Oc1ccc(O)n1-c1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 169688704 FYYLETGWWLWXSV-UHFFFAOYSA-N 369.384 3.660 0 1 FHAF O=C(O)C[C@H]1CCN(C2CCCCC2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356419464 TWPNGPZIWWUXSA-CVEARBPZSA-N 355.482 3.851 0 1 FHAF CN(C)c1ccc(-c2cn3cc([123I])ccc3n2)cc1 100099697 GUJHUHNUHJMRII-KIWWSDKQSA-N 359.204 3.672 0 1 FHAF CC(=O)Nc1cc(C)c(-c2nnc3sc(-c4ccccc4)nn23)s1 28826948 GPSDJCPWZFYLRU-UHFFFAOYSA-N 355.448 3.848 0 1 FHAF CCO[C@@]12CCC(=O)C[C@@]13CCN(CC1CC1)[C@@H]2Cc1cccc(OC)c13 28226227 HJSBEDIRASDJEQ-YMPZKCBVSA-N 369.505 3.502 0 1 FHAF CCOc1ccccc1NC(=O)N1[C@@H]2CCC[C@@H]1CC(NC(=O)C1CC1)C2 100979979 ZTHSQQIGYNUIGN-IAGOWNOFSA-N 371.481 3.529 0 1 FHAF CC(C)[C@H]1CC[C@@]2(C)[C@H]3C[C@@H]4[C@H]5CCC[C@@]4(O)[C@@]2(CCC(=O)O)[C@@H]1N5C3 101824676 XJVXLZXIMBRIAJ-XEPYTYEKSA-N 361.526 3.527 0 1 FHAF CC(C)(C)c1ccc(-c2nc3ccc(NS(C)(=O)=O)cc3c(=O)o2)cc1 26640973 SROSGJUOIZWROX-UHFFFAOYSA-N 372.446 3.524 0 1 FHAF COc1ccccc1O[C@@H]1O[C@H](OCc2ccc3c(c2)OCO3)[C@@H](C)[C@H]1C 2356668741 AATADWOXOWGJLR-GDMOEJLQSA-N 372.417 3.974 0 1 FHAF COc1ccc(NC(=O)Nc2ccc(OC(C)(C)C(=O)O)cc2)cc1OC 26393657 VXHGLXRUDKQAEK-UHFFFAOYSA-N 374.393 3.590 0 1 FHAF N[C@H](Cc1ccccc1)c1csc(Nc2nccc(C(F)(F)F)n2)n1 61906328 WZRIKSHLKHRCCF-LLVKDONJSA-N 365.384 3.938 0 3 FHAF NCc1csc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)n1 73196795 ZJLSDAKAVWAVQI-UHFFFAOYSA-N 362.458 3.857 0 1 FHAF Cc1cccc(CCc2nnc(SCC(=O)O)n2Cc2ccccc2)c1 43066123 MDMVPCRIAADUHD-UHFFFAOYSA-N 367.474 3.597 0 1 FHAF NC(=O)c1sc2nc3c(c(-c4nccs4)c2c1N)CCCCCC3 49112216 STLWGGFGWFLNCX-UHFFFAOYSA-N 358.492 3.760 0 1 FHAF C[C@H]1CNc2c(NCC3CCCCC3)c(=O)n(CC3CCCCC3)c(=O)n21 82211809 KUTZGPXUINNUHM-HNNXBMFYSA-N 374.529 3.569 0 1 FHAF COc1cccc(CNC(=O)c2coc(-c3ccccc3C)n2)c1OC 82074746 MCBAIBGYAPXNCD-UHFFFAOYSA-N 352.390 3.597 0 1 FHAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H](NC1CC1)c1ccccc1 49036489 SKYALJGMRAGHEN-GOSISDBHSA-N 367.836 3.613 0 1 FHAF in-vitro NC(=O)c1cccnc1COc1cc(-c2ccccc2)cc2ncccc12 147855391 PVDICTHMFYQWTF-UHFFFAOYSA-N 355.397 3.975 0 1 FHAF C[C@@H](c1ccc(Br)cc1)N1CC[C@@]2(CC[C@H](O)C2)OC1=O 146129657 PBKZQTKWICVGPX-HZUKXOBISA-N 354.244 3.636 0 1 FHAF COc1ccc(-c2nn3cc(-c4cccc(N)c4)nc3s2)cc1OC 473090580 WLDWCHWWYMMKQQ-UHFFFAOYSA-N 352.419 3.724 0 1 FHAF O=C(/C=C/c1ccccc1O)NCCC1CCN(Cc2ccccc2)CC1 653864093 YAWVNBSVSGFOGD-ZHACJKMWSA-N 364.489 3.824 0 1 FHAF COc1ccc(C[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653766973 RQOCMWPZVSCAQZ-MRXNPFEDSA-N 371.433 3.568 0 1 FHAF O=C(c1ccc(F)c(F)c1)c1c(CO)oc2cc(Br)cnc12 587276973 XWMHKCNECYFKJW-UHFFFAOYSA-N 368.133 3.592 0 1 FHAF COc1ccc(CCCc2nc3cc4c(cc3[nH]2)OCCO4)c(OC)c1 587928476 GGOBUKOELVHSBN-UHFFFAOYSA-N 354.406 3.527 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CN(Cc4ccccc4)C(C)(C)C1)[C@@H](C2)C3=O 587434611 BQAGXBSOYUYICB-MBSDFSHPSA-N 363.457 3.866 0 1 FHAF CC(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1C 587582551 PSOWVTFOSJOOOB-WIYYLYMNSA-N 364.401 3.952 0 1 FHAF NC(=O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077796 XZSPDWFOCOCEGS-QGZVFWFLSA-N 354.841 3.652 0 1 FHAF COC(=O)c1ccnc2[nH]c(Cc3sc(-c4ccccc4)nc3C)nc12 587013095 ZSUPRMZKFDGODA-UHFFFAOYSA-N 364.430 3.767 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(C)c(C(=O)OC)c1C)CC2=O 587480735 FEAAYZPSXJYLQK-MRXNPFEDSA-N 357.406 3.783 0 1 FHAF CC[C@@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582994 SLZZBPUAJYVEBB-RXVVDRJESA-N 364.401 3.701 0 1 FHAF COC(=O)c1cc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1OC 587149775 BCYLPYCNODMSQG-GHMZBOCLSA-N 358.344 3.907 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587153339 YTQMIYDQMUDEJS-CHWSQXEVSA-N 362.401 3.906 0 1 FHAF COC(=O)CCC[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587401871 ZLBDTHCUKSXFQH-OAQYLSRUSA-N 353.418 3.781 0 1 FHAF C[C@@H]1CN(C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347723 UPPNZMFDJFULLG-XFPJRNFQSA-N 355.409 3.601 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)NCc1ccc(Cl)cc1)O2 587376957 DYZOSQGFPLVURZ-FQEVSTJZSA-N 372.852 3.661 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1CCO[C@@H]1C2(C)C 587838217 MUVVWVGKALGQHQ-MLBAQRQYSA-N 354.263 3.763 0 1 FHAF C[C@]1(c2ccc(O)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337648 MDSDAINRHBQELT-PZJWPPBQSA-N 365.360 3.906 0 1 FHAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1cnco1 963856250 VKKGVZYEXKFUMZ-RDTXWAMCSA-N 372.421 3.709 0 1 FHAF Fc1cccc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)n1 962948599 ARFARTGHCXEGTA-KRWDZBQOSA-N 366.358 3.980 0 1 FHAF N[C@H]1CCN(C(=O)Nc2ccc3sc(-c4ccc(F)c(F)c4)nc3c2)C1 1772627835 MCJODZOEHOOOIS-NSHDSACASA-N 374.416 3.806 0 1 FHAF COc1cc([C@H]2C[C@@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc(OC)c1OC 1772649500 VHBNMPDAZYGSTM-BUHJVKOASA-N 366.429 3.598 0 1 FHAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2ccc(Br)cc12 1772597701 CZLSXRGMKBWZOM-UHFFFAOYSA-N 363.255 3.573 0 1 FHAF N=C(N)c1ccc(-c2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)s2)cc1 5974203 MSQVFIHMHRAMOC-UHFFFAOYSA-N 360.446 3.527 0 1 FHAF in-vitro Cc1nn(-c2cccc(N)c2)c2oc3ccc(Br)cc3c(=O)c12 12405806 AJNVTICMXDXXMW-UHFFFAOYSA-N 370.206 3.785 0 1 FHAF CCCCCc1ccc2c(c1)[C@@]1(N=C(N)N(C)O1)C1(CCC(OC)CC1)C2 169700403 AHAWCXWSOMVMFE-UDJZJCJKSA-N 371.525 3.895 0 1 FHAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1csc(-c2ccccc2)n1 117716350 FMARCCRRUGZDDU-SFHVURJKSA-N 365.458 3.723 0 1 FHAF CO[P@](=O)(O)/C=C/[C@H](NC(=O)C(Cl)(Cl)Cl)c1ccccc1 6009854 PMHATEDYHTVLRG-JARNTUPDSA-N 372.572 3.560 0 1 FHAF CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc13 58594102 HDRKKGULQPRYBL-TUACAJSNSA-N 356.469 3.853 0 1 FHAF in-vivo CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(-c3ccccc3)n2c1 27650713 YIJJLGFOICGUER-XMHGGMMESA-N 368.440 3.761 0 1 FHAF O=C(c1ccc(Cl)cc1)N1C[C@@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356299074 VDHKDDUZBYWVAK-RHSMWYFYSA-N 374.799 3.861 0 1 FHAF CC(=O)O[C@@H]1C[C@](C)([C@H](O)CO)C[C@@H]2CC[C@]34C[C@]3(C)CCC[C@H]4[C@@]21C 2356494079 QSSODZDQQRKYEP-QJCJHIBTSA-N 364.526 3.684 0 1 FHAF CC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]2CC[C@H]1C3 2356635313 WOHNELZOUBHDQW-SCDSTJAHSA-N 364.526 3.684 0 1 FHAF CC[C@@H]1C2=CCCCn3c([C@@H]4C[C@H](C)C(=O)O4)cc(c32)[C@@H]2[C@H](C)C(=O)O[C@@H]21 2356681261 NXXRQRYLLDGROE-UQGZQEPVSA-N 369.461 3.974 0 1 FHAF CN(C)[C@@H]1CCC[C@@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1 63539674 VVEGARMQKNYDID-CHWSQXEVSA-N 370.888 3.958 0 1 FHAF Cc1cc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)n[nH]1 38345309 INFAZCALLSRXIC-UHFFFAOYSA-N 361.873 3.854 0 1 FHAF COc1cc([C@@H](O)c2csc(-c3ccccc3)n2)cc(OC)c1OC 72118713 HVNPJYMFHZEFHQ-QGZVFWFLSA-N 357.431 3.918 0 1 FHAF C[C@H](Nc1nc(-c2ccccc2)nc2ccc(Br)cc12)C(=O)O 40392710 CQNSZRXLYAWVBR-JTQLQIEISA-N 372.222 3.944 0 1 FHAF O=C(Nc1ncnc2nn(Cc3ccccc3)cc12)c1cccc(Cl)c1 49111339 GNLKLLHCPPYDLC-UHFFFAOYSA-N 363.808 3.780 0 1 FHAF O=C(c1cccc(Cl)c1Cl)N1CCc2c(-c3ccncc3)n[nH]c2C1 225981447 TUHBROOIIXVNRC-UHFFFAOYSA-N 373.243 3.977 0 1 FHAF CC(C)c1n[nH]c(C(C)C)c1CC(=O)NCc1ccc(F)c(F)c1F 84690074 LTVOLOGJAIWGSQ-UHFFFAOYSA-N 353.388 3.933 0 1 FHAF COc1cccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)c1 142053968 PIPCTIIDGGNNMV-XJKSGUPXSA-N 356.426 3.640 0 1 FHAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3/C=C/c3ccccc3)ccc12 96905467 BCXCZLHLOYVIPS-CLNPQZTCSA-N 362.454 3.956 0 1 FHAF COC(=O)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 238736765 ASEMPYULZYUTQF-CMDNAWEXSA-N 360.494 3.957 0 1 FHAF CC(=O)Nc1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc1 474609662 SDKDVLKIBNGOOC-UHFFFAOYSA-N 370.412 3.954 0 1 FHAF CCOC(=O)CN1CC[C@@]2(c3ccccc3)c3cc(O)ccc3C[C@H]1[C@@H]2C 299846928 LTMGPVJEAVIZHN-JFJYTDJESA-N 365.473 3.508 0 1 FHAF CCOC(=O)N[C@H](OC(=O)Nc1ccccc1)C(Cl)(Cl)Cl 68586491 HJNAJFKSOUUNJK-SECBINFHSA-N 355.605 3.678 0 1 FHAF biogenic C[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](n2cncn2)C1 587516371 CHCTUCYEHSGXNI-XWRIVVANSA-N 351.450 3.922 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(N)c2)N1 587714407 FJIPCOAFAYRIBI-ZKANADHPSA-N 353.210 3.933 0 1 FHAF COC(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2n1 587075764 LWSCHSTVLUAEFQ-UHFFFAOYSA-N 367.796 3.559 0 1 FHAF Cc1ncc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C)c1Br 586979448 ZTQFTKHSURPPAT-UHFFFAOYSA-N 372.148 3.765 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCCC1OCCO1 587605781 AUQVSWCHTBNPEP-VQIMIIECSA-N 370.401 3.656 0 1 FHAF O=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](c2ccccc2)N1 587527717 VZCPTRVEUPEKOM-WMZHIEFXSA-N 361.441 3.921 0 1 FHAF CC[C@@]1(c2ccc(OC[C@@H]3CO3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587457032 ZCECGOGVPLHFAM-HMFYCAOWSA-N 366.413 3.526 0 1 FHAF O=C(Cc1ccc(Cl)cc1)c1nc2ncc(Br)cc2[nH]1 587072297 QMCREFFQQDNJPR-UHFFFAOYSA-N 350.603 3.799 0 1 FHAF C[C@@H]1CCCCN1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582525 LYJGOOYWGIXQBF-QOEFQVSFSA-N 367.445 3.987 0 1 FHAF CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccccc1Cl 587638352 JWPVLKMGOLDRJD-UHFFFAOYSA-N 371.776 3.927 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C)c2C(F)F)N1 587714004 DSNXZBMFIIJXNK-WPPNPWJKSA-N 374.204 3.883 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CC=C[C@H]1C[C@@H](C(=O)O)C2 587491884 WMFJDPBVFRMZNR-PBMXDMTDSA-N 356.418 3.736 0 1 FHAF Cc1ccc2c(ccc3nc(CNC(=O)[C@@H](C)Oc4ccccc4)[nH]c32)n1 587225740 SJGBUEXMTYWUDJ-CQSZACIVSA-N 360.417 3.503 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1cc(C)sc1C)O2 587410716 OOULJXSDPMFERZ-IBGZPJMESA-N 359.447 3.981 0 1 FHAF CCOC(=O)c1c(C)[nH]c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587397586 XZBVRNBHWQWIGR-FQEVSTJZSA-N 356.422 3.579 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(SC(=O)N(C)C)c1)[C@@H](C2)C3=O 587453940 VIUYVWAGSZNCDA-KXBFYZLASA-N 369.442 3.958 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)ccc(C)c21 587486554 RPZNKPJSOCJCFT-NRFANRHFSA-N 351.402 3.774 0 1 FHAF COc1ccc2c(c1)C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599899 IRCZYBLGMUCCEH-NFBKMPQASA-N 374.392 3.900 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cnn[nH]1)CC2=O 587467782 RVTDQSJKIWHMBS-HXUWFJFHSA-N 367.380 3.511 0 1 FHAF COc1cc(C)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 587945125 KVFJLXHVKSYCEZ-UHFFFAOYSA-N 361.398 3.721 0 1 FHAF COc1cccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587767308 AIYNRXZMJWYLAJ-JDNHERCYSA-N 351.219 3.615 0 1 FHAF CN(C)C(=O)c1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2c1 587136277 MHPWMHZNSZCLMX-UHFFFAOYSA-N 370.428 3.830 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@]3(CC4(CCC4)Oc4ccccc43)c3cccc1c32 963018873 CWZIGNYVZRCANQ-CMJOXMDJSA-N 360.457 3.689 0 1 FHAF Cc1cc(Cl)ccc1NC(=O)C[C@]1(C)NCCc2nc3ccccn3c21 962986257 RSAARTIVDCVSDV-FQEVSTJZSA-N 368.868 3.686 0 1 FHAF CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@@]2(NCCc3c(C)ccnc32)C1=O 963071064 JJMHCFKUBLICIG-JPYJTQIMSA-N 360.457 3.517 0 1 FHAF Nc1c(C(=O)c2ccc3ncccc3c2)cnn1-c1cc(O)ccc1Cl 1772613882 FPKUEZLSSIDWJS-UHFFFAOYSA-N 364.792 3.593 0 1 FHAF O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1c1ccccc1 13676258 ORMFCWJFMCARPF-UHFFFAOYSA-N 364.351 3.965 0 1 FHAF S=C(NCCC1CCN(Cc2ccccc2)CC1)NCc1ccccc1 13734818 JKRWZBAJWHLCMY-UHFFFAOYSA-N 367.562 3.953 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1OC1C2CC3CC(C2)CC1C3 13861004 JUPMFMQSGHTGKC-HTMWUWIFSA-N 356.466 3.595 0 1 FHAF Cn1ncc2c(NC(=O)NCc3ccc(OC(F)(F)F)cc3)cccc21 14973859 RJWWWCFBFUBOEB-UHFFFAOYSA-N 364.327 3.794 0 1 FHAF CCOC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3c(C)ccn3C)cc1)N2 169326395 HBQKMASEGGGNBY-ZGXWSNOMSA-N 352.478 3.788 0 1 FHAF CCCOc1c(-c2ccc3c(c2)OCO3)oc2cc(OC)ccc2c1=O 1857574645 MMGZIPGOSYBDQG-UHFFFAOYSA-N 354.358 3.986 0 1 FHAF Cc1cccc(C(=O)Nc2nc3ccc(C)cn3c2C(=O)NCC(C)C)c1 1857575469 HWFQXOHCIZIIMB-UHFFFAOYSA-N 364.449 3.589 0 1 FHAF CCC(CC)CN=c1c(C(N)=O)c[nH]c2c(C)cc(-c3cccnc3)cc12 1857582230 YDQLEGZJDZWLNX-UHFFFAOYSA-N 362.477 3.974 0 1 FHAF c1ccc2c(c1)CCC[C@H]2Cn1cnc(-c2cc(-c3cnn[nH]3)ccn2)c1 1857766530 IBTSPUCLPNQGKI-KRWDZBQOSA-N 356.433 3.850 0 1 FHAF Cc1cc(NC(=O)CSCc2nc(-c3cccc(F)c3)oc2C)no1 3030111 NHUGBOMGUWQEBU-UHFFFAOYSA-N 361.398 3.957 0 3 FHAF CC1(C)C=Cc2c(c(O)cc3c2OC[C@@H]2c4ccc5c(c4O[C@@H]32)OCO5)O1 2356333832 XBRRZWFABQTPSY-DYVFJYSZSA-N 366.369 3.915 0 1 FHAF CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)c1 4081796 ZHOFIIWDXHXMFA-MJGOQNOKSA-N 372.852 3.919 0 1 FHAF COc1cccc2c1C[C@](CCN(C)C)(c1ccc(Cl)cc1)N(C)C2=O 53244143 NBJNYWWBLPKFAW-OAQYLSRUSA-N 372.896 3.824 0 1 FHAF C/N=c1\c(NC(=O)c2ccc(Br)cc2)c(O)oc2ccccc12 103667432 HEAICFRUKLXAKN-RGEXLXHISA-N 373.206 3.684 0 1 FHAF COc1ccc(CC(=O)N[C@@H](CCN(C)C)c2ccc(Cl)cc2)cc1 28653894 LAGVMDHZYRQGHN-IBGZPJMESA-N 360.885 3.700 0 1 FHAF O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCCC3)c(F)cc2c1=O 29337542 FWCGIRPBQRJEOS-UHFFFAOYSA-N 370.355 3.567 0 1 FHAF Cc1cc(CCCCCOc2c(F)cc(C3=NCCO3)cc2F)on1 27521133 CZJCVAHXNFURJZ-UHFFFAOYSA-N 350.365 3.830 0 1 FHAF CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(Cl)cc3)nc12 27317499 PKXSRWZCZHHGOQ-UHFFFAOYSA-N 353.853 3.847 0 1 FHAF O=C(O)C1(c2ccc3c(c2)OC[C@H](Cc2cccs2)[C@H]3O)CCCC1 26383995 NFYOOBNPQHUPPL-SCLBCKFNSA-N 358.459 3.929 0 1 FHAF Cc1cn(CCCn2c(=S)[nH]c3sc4c(c3c2=O)CC[C@@H](C)C4)cn1 138362483 PYQINQYKRFNEDD-LLVKDONJSA-N 374.535 3.841 0 1 FHAF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)C[C@@H](C(C)=O)C[C@H]2[C@]1(C)OC(C)=O 1911582808 ZNSHUMGXDLSKTJ-HKQQPVFQSA-N 350.455 3.602 0 1 FHAF CC[C@H](C)Sc1nnc([C@H](C)Sc2nc3nc(C)cc(C)n3n2)o1 40917588 SUPYXWBRLQZAPQ-QWRGUYRKSA-N 364.500 3.868 0 1 FHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C3CC3)nc2)n1 142134952 FHVFBZXIQSDVFQ-SUMWQHHRSA-N 367.453 3.903 0 1 FHAF COC(=O)/C=C(\C)C[C@@H](O)[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@]2(C)O 238771873 PTXPYBHMAVQSPJ-RZPWNMGNSA-N 352.515 3.850 0 1 FHAF COC(=O)c1ccc(-c2ccc3c(c2)SC(=N)N2CCCN=C32)cc1 95576756 ZNRHTPFRQWIMAT-UHFFFAOYSA-N 351.431 3.633 0 1 FHAF N=c1[nH]c(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615987 YHLGGNCPZZAHSV-RISCZKNCSA-N 374.805 3.618 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COCc3ccccc32)N1 587837151 ZUXFTTQMHOJXIJ-ADLMAVQZSA-N 362.242 3.896 0 1 FHAF COC(=O)c1cc2nc([C@@H]3CCOC3)[nH]c2c(F)c1Nc1ccccc1 586911628 JSXZOMGNGCBENB-LLVKDONJSA-N 355.369 3.736 0 1 FHAF Brc1nccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587036796 NMPPUTFXRVSKDW-SNVBAGLBSA-N 350.241 3.638 0 1 FHAF C[C@]1(c2ccnc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567868 FPSZCFBCAKPLOT-FXAWDEMLSA-N 351.333 3.803 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(Cc3ccccc3)CC[C@@H]1C)O2 587392511 AZVTYDGFZIPILH-KSFYIVLOSA-N 350.462 3.823 0 1 FHAF COC(=O)[C@@H]1[C@H](C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587803730 BSYMAPOQMJTFMW-CQLUGLBVSA-N 370.262 3.537 0 1 FHAF COC(C[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21)OC 587797879 YDSJSOVIJKHNOG-PIGZYNQJSA-N 374.294 3.983 0 1 FHAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1CC=C[C@H]2C[C@H](C(=O)O)C1 587529274 MQOCNCAUZYLMEF-WMUXEFRJSA-N 352.430 3.956 0 1 FHAF Cc1ccc2c3c(cc(-c4ccc5nnnn5c4)nc13)-c1ccccc1C2=O 587096079 FQGDZCYPZMPTMW-UHFFFAOYSA-N 363.380 3.859 0 1 FHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(O)c2[nH]1 587112063 GNQAMUGBIUFCDR-KRWDZBQOSA-N 363.339 3.687 0 1 FHAF CCc1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 586928975 PFPCJONNDLOAFQ-UHFFFAOYSA-N 363.870 3.599 0 1 FHAF COC(=O)c1cccc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc12 586904306 UPNRBBCUUZOOSW-UHFFFAOYSA-N 350.330 3.584 0 1 FHAF COC(=O)c1ccc(-c2ccccc2-c2ccc3c(O)nc(O)nc3n2)cc1 587559922 PGGJAIZWGOQTKM-UHFFFAOYSA-N 373.368 3.557 0 1 FHAF O=C1C[C@](c2ccccn2)([C@@H]2CCCNC2)Oc2c1ccc1c2CCCC1 587523289 HVLODCRMELMPTO-UZUQRXQVSA-N 362.473 3.821 0 1 FHAF COc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(OC)c1C 587788299 WGPSKLKRUUYTDQ-UHFFFAOYSA-N 372.734 3.969 0 1 FHAF CCOC(=O)[C@H](C)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587398328 DYDHZUPPKSALAI-QKKBWIMNSA-N 353.418 3.637 0 1 FHAF CCOC(=O)c1cc(Br)c2[nH]c(C(F)(F)C(F)F)nc2c1 587089238 MRUAMEBWVWUHGI-UHFFFAOYSA-N 369.112 3.859 0 1 FHAF CCOC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)NCCc2c(C)ccnc21 963073542 VJRNIYLVFFKFEV-OGANSGBLSA-N 368.521 3.901 0 1 FHAF Cc1sc2c(c1C)CCN[C@H]2c1cc(=O)c(OCc2ccccc2)c[nH]1 963032765 VIOKMHVNABQYSD-FQEVSTJZSA-N 366.486 3.867 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(Cl)c3)ncc12 1772641755 UFGLNPMLJKYDBY-SNVBAGLBSA-N 358.833 3.926 0 1 FHAF COc1ccc(-c2cc(CCCc3ccccc3)c(=O)[nH]n2)cc1OC 13644748 NFJSVXCIOWNADB-UHFFFAOYSA-N 350.418 3.629 0 1 FHAF O=C([C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CCCC(C1CC1)C1CC1)N1CCCC1 13756421 VPQCFOIXZVLOIW-UEXGIBASSA-N 358.526 3.595 0 1 FHAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1c(O)cccc1O)O2 1857768729 PCCKCEBSWZXIQI-INIZCTEOSA-N 356.374 3.724 0 1 FHAF O=C(c1ccccc1)c1c(-c2ccccc2)nn(-c2ccccc2)c(=O)c1O 715568 WFBWREFRIXNYPY-UHFFFAOYSA-N 368.392 3.836 0 3 FHAF CO[C@H]1CCC(=O)c2c([C@H]3CCC(=O)c4c(O)cccc43)ccc(O)c21 2356325511 PGAIASPBYDNKOC-VOJFVSQTSA-N 352.386 3.870 0 1 FHAF CCCN1C[C@H](NC(=O)N(CC)CC)C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21 2356331106 FCRJELOYDVBTGW-IMFGXOCKSA-N 368.525 3.712 0 1 FHAF O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CNc1cc(Cl)ccc1Cl 104704510 YFIXDYNMAZSAIG-GHMZBOCLSA-N 359.640 3.881 0 1 FHAF Cc1cccc(Nc2ncnc3ccncc23)c1NCCCCN(C)C 53059110 CISJSHMLWNAAOC-UHFFFAOYSA-N 350.470 3.831 0 1 FHAF CC1(C)C[C@H]1C(=O)N/C(=C\CCCCCSC1=NCCS1)C(=O)O 26027430 WVLTUXHIFJAZLS-BPLGCGBFSA-N 370.540 3.514 0 1 FHAF CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(O)cnc32)CC1 26015659 PBSSCVDXXYKDIR-UHFFFAOYSA-N 368.864 3.983 0 1 FHAF CC(C)CC[C@@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27874874 JMCLDJHNMNGXFG-RISVGRPXSA-N 356.503 3.771 0 1 FHAF C[C@@H](C(=O)N1CCOCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27559088 FUWLJSGPXZGUDM-OIISXLGYSA-N 373.518 3.744 0 1 FHAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(C2CCCC2)CC1 29465826 WHDMCOVONXZKCI-UHFFFAOYSA-N 351.878 3.524 0 1 FHAF CCCc1cnc(Nc2nc([C@H](N)Cc3ccc(OC)cc3)cs2)nc1 61928439 UHTOCWMARZNFMF-MRXNPFEDSA-N 369.494 3.880 0 3 FHAF CC(C)(C)OC(=O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 212121555 KRXPOMCIGAWJIW-UHFFFAOYSA-N 373.428 3.853 0 1 FHAF CNc1ccc(-c2cc3cc(OCCOCCOCCF)ccc3o2)cn1 71297100 CAJRCNSEYLVKQJ-UHFFFAOYSA-N 374.412 3.918 0 1 FHAF CNC(=O)Nc1cccc(-c2ccc([C@@](O)(c3c[nH]cn3)C(C)C)cc2)c1 71296732 FDFWKYDHOYTJRK-OAQYLSRUSA-N 364.449 3.720 0 1 FHAF CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@H]1OC(=O)c1ccccc1 13460705 ZNTARXPPDIMRSC-GOSISDBHSA-N 350.370 3.732 0 1 FHAF biogenic CCO[C@H]1C[C@@]23CC(OC)=CC[C@@]2(CCN3C)c2c1ccc(OC)c2O 85997696 CAOVHEBNWTUWCP-WMQCIHAUSA-N 359.466 3.518 0 1 FHAF COCc1ccc(O)cc1CCN1CCCC[C@H]1[C@H](O)c1ccccc1 85486947 MYTOTPYYDYGXFE-FCHUYYIVSA-N 355.478 3.669 0 1 FHAF biogenic,in-vitro Fc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 140134202 NSKBGEDYUABIQY-UHFFFAOYSA-N 357.392 3.830 0 1 FHAF CN1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 95874753 JADFJDJVZNGIFR-NIEMULNCSA-N 362.517 3.711 0 1 FHAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587596839 WNXWFHKQOZMHQD-DYESRHJHSA-N 364.353 3.809 0 1 FHAF CCOC(=O)C[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587534812 ZCBRWJFZBOYWLP-NRFANRHFSA-N 354.402 3.972 0 1 FHAF Nc1c(-c2nc3ccnc(O)c3[nH]2)sc2cc(Br)ccc12 587030783 IGMBSBJCCGNIKQ-UHFFFAOYSA-N 361.224 3.890 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CC)(CNC(=O)OC(C)(C)C)CC2=O 587471561 TWPAYPAQVUQTGN-FQEVSTJZSA-N 363.454 3.983 0 1 FHAF Oc1nc(S)nc2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 587048045 PIMZMXOKZZFGDT-WDSKDSINSA-N 353.234 3.925 0 1 FHAF Cc1[nH]nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587550560 XOEKALCBVIXNCT-ACJLOTCBSA-N 356.765 3.780 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Cl)cccc21 587462986 SHOPCFPHXIXQHQ-IBGZPJMESA-N 357.793 3.811 0 1 FHAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(O)nc(O)nc4[nH]3)c2)c1 587049847 MLXWOTLCCLBAMY-UHFFFAOYSA-N 366.764 3.564 0 1 FHAF Cc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1C 587162788 DGPUPYSDXZDCIF-UHFFFAOYSA-N 350.397 3.597 0 1 FHAF Cc1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2n1 587001956 CAARLOXXANOBDC-JTQLQIEISA-N 372.222 3.664 0 1 FHAF Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587596230 PWGBKTDPTFUJEU-GCJKJVERSA-N 373.364 3.510 0 1 FHAF NC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587373801 JFAZEESUHXQTMV-UYAOXDASSA-N 369.417 3.806 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(F)c(F)c1F)[C@@H](C2)C3=O 587422956 HIRXYGUIQYWUBW-YPMLDQLKSA-N 352.283 3.914 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCCCc2ccc(N)cc21 963634618 KYWRPWCBXNQOOF-FPTDNZKUSA-N 352.478 3.790 0 1 FHAF Oc1ccc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1Cl 12437797 RGHBZVOJDXJRNA-MRXNPFEDSA-N 354.841 3.794 0 1 FHAF Oc1ccc([C@@H]2N=CN[C@@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 13607923 QFCZPYDREVFCEQ-FCHUYYIVSA-N 365.477 3.671 0 1 FHAF COc1cc(Nc2nc(-c3cccc(OC)c3OC)no2)cc(OC)c1 15770820 HLNWEZZUWNTHOF-UHFFFAOYSA-N 357.366 3.515 0 1 FHAF COc1ccc(NC(=O)N2CCC(N(C)CCC(C)C)CC2)cc1OC 201486412 UNHOITRSDZQIQU-UHFFFAOYSA-N 363.502 3.678 0 3 FHAF COC(=O)CO[C@@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205709547 BRVLYAYHWQNFKL-MRXNPFEDSA-N 351.324 3.944 0 1 FHAF CC(C)Cn1cc(C(=O)N2CCCCC2)c2c3ccccc3n(C)c2c1=O 2466246 GVVHBEHHWDFIGF-UHFFFAOYSA-N 365.477 3.775 0 1 FHAF Cc1cc2nc([C@@H]3CCCO3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C 103247290 YZUAKSJUXZOMNM-SFHVURJKSA-N 374.448 3.601 0 1 FHAF CC[C@H](C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H](CC(C)C)C(=O)N1 103267056 PZMWGHNKGCXPPA-FLNBYBTLSA-N 356.510 3.578 0 1 FHAF CCc1cc(CCC(=O)Nc2c(O)cc(Cl)cc2Cl)c(=O)[nH]c1C 28010171 PXRKCIWITLWWMI-UHFFFAOYSA-N 369.248 3.829 0 1 FHAF COc1cccc(NC(=O)Nc2cccn(Cc3ccccc3C)c2=O)c1 64527206 FAACSZRNNSJNAK-UHFFFAOYSA-N 363.417 3.858 0 1 FHAF O=c1[nH]nc2c3c(cccc13)N[C@@H](c1ccc(F)cc1)[C@@H]2c1nccs1 117870819 MZEQOWHGLGJDMY-HOTGVXAUSA-N 364.405 3.817 0 1 FHAF CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 38423152 RNSISAJHBSCDGC-GVTHINQKSA-N 362.897 3.832 0 1 FHAF CC(C)(C(=O)NCc1cccc(Cl)c1)n1cc(-c2ccccn2)cn1 74387500 WWHHQWQZTJXABL-UHFFFAOYSA-N 354.841 3.650 0 1 FHAF Nc1nc2cn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 73220868 SFBLPDYRMGKGLC-UHFFFAOYSA-N 358.405 3.554 0 1 FHAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN(C(C)=O)C3)cc12 226053890 UIQDJWKGZQQWKJ-CYBMUJFWSA-N 353.397 3.713 0 1 FHAF CCN(CC)[C@@H]1[C@@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccccc2)[C@H]1CO 84709340 SEVLDDAIFKZMCD-JTKSJCOOSA-N 364.533 3.808 0 1 FHAF Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)/C=C/c3cncnc3)c2)cc1 84687905 GNMBUKSADOVDJV-UXBLZVDNSA-N 372.428 3.998 0 1 FHAF CC1CCN(c2ncc(C(=O)NCC3CC3)c(-c3ccccc3)n2)CC1 82214636 KIXPXPDDIVSYAZ-UHFFFAOYSA-N 350.466 3.520 0 1 FHAF COc1ccc2c(c1)CC[C@@]1(CCCCN1C(=O)Cc1ccccc1)C2=O 140512179 SFVVNICKYDSJMK-QHCPKHFHSA-N 363.457 3.818 0 1 FHAF O=C(Cc1ccc(Cl)cc1C(F)(F)F)N[C@H]1COc2ncccc21 146666670 YANMOTFILUAEBF-ZDUSSCGKSA-N 356.731 3.546 0 1 FHAF Cn1c(=O)n(C)c2cc3c(Nc4cccc(C(F)(F)F)c4)ncnc3cc21 96914115 RBZVKLPLEMDEBR-UHFFFAOYSA-N 373.338 3.583 0 1 FHAF CC(C)(C(=O)O)[C@@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@]1(C)CC(=O)O)[C@@]1(C)O[C@H]31 257521089 QGTMYAPGXJWNQR-JDTZNWBGSA-N 350.455 3.562 0 1 FHAF endogenous,in-man COc1cccc([C@H]2CN(C(C)=O)[C@H]3CCN(Cc4ccsc4)C[C@@H]23)c1 299841670 ATZBSPUCXIUUNX-HKBOAZHASA-N 370.518 3.593 0 1 FHAF C[C@@]1(CN2CCCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592661 IIDQYMPJOMGPHP-UGKGYDQZSA-N 367.445 3.989 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(CCO)cc2[nH]1)C1CCCC1 587227222 WVZHDZDXAXRIAS-QGZVFWFLSA-N 359.470 3.854 0 1 FHAF COC(=O)C12CC([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)(C1)C2 587808195 NPEBYTAXPIIWDW-BXXFIXLXSA-N 368.246 3.507 0 1 FHAF O=[S@](Cc1nc2ccnc(O)c2[nH]1)C(c1ccccc1)c1ccccc1 586960323 OOYWOOSSURFZCZ-AREMUKBSSA-N 363.442 3.702 0 1 FHAF O=C(O)CC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604302 SGKPFXGFKKPOEN-JKPXSAOISA-N 368.385 3.758 0 1 FHAF CN1CCC[C@@H]1CCn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656313 JOTRGZKWOYBSHE-OAHLLOKOSA-N 369.415 3.826 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCN(C[C@H]3CCCO3)C[C@H]1C)CC2=O 587481029 XKMABVHZEDMMLI-XCGNWRKASA-N 373.493 3.570 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3oc(=N)[nH]c3c1)CC2=O 587472975 PICUWYDFGDUZEE-FQEVSTJZSA-N 352.390 3.779 0 1 FHAF c1cc2c3c(cc(Cc4nc(-c5ccc6c(c5)OCO6)no4)nc3c1)CC2 587212637 UCBWJTFZDPVJCD-UHFFFAOYSA-N 357.369 3.703 0 1 FHAF Cc1ccc([C@@]2(CN)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587751397 YJODJVQYOZDRHI-KPZWWZAWSA-N 363.274 3.633 0 1 FHAF CC(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n[nH]1 587596736 RNFSEPZKGFMGRE-FXAWDEMLSA-N 350.374 3.942 0 1 FHAF COc1cc(C)nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587590627 ZKHVCOJYRXXXRV-GHTZIAJQSA-N 363.369 3.807 0 1 FHAF CN(C)CCOc1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587080269 LPROSUPLLGYTPC-SFHVURJKSA-N 357.841 3.833 0 1 FHAF Cc1ncc(-n2c(OC(C)C)ccc2OC(C)C)nc1Br 587939298 BLTZGQQKRYZJID-UHFFFAOYSA-N 354.248 3.913 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)o2)N1 587758101 WZQFOTCJUOXDCJ-FVMDXXJSSA-N 353.235 3.871 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn3ccnc3c2)N1 587776619 YJBKTIHEADYJPW-BMLIUANNSA-N 360.230 3.860 0 1 FHAF CC[C@@]1(c2c[nH]c(C(=O)NC)c2)c2ccsc2CCN1Cc1ccco1 962703857 HGXHMOLGYWEXDZ-HXUWFJFHSA-N 369.490 3.741 0 1 FHAF Nc1nc(Br)ccc1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963086743 CEYVFRWEVOUFAR-MEDUHNTESA-N 362.246 3.675 0 1 FHAF CCN(C)c1nc2c(Cn3nc(C(=O)O)cc3C)cc(Cl)cc2s1 1772583648 AQPNJRKVJFGJIP-UHFFFAOYSA-N 364.858 3.657 0 1 FHAF CCCn1c(=O)c2[nH]c(C3C(C)(C)CCC3(C)C)nc2n(CCC)c1=O 12405337 VUZQFNOFRAEGLN-UHFFFAOYSA-N 360.502 3.636 0 1 FHAF C/C=C/C=C/c1c(CC=C(C)C)cc2c(c1CO)OC(C)(C)[C@H](O)C2=O 1857587634 ZNFQXDMVJMBYTQ-ZFXMJCRVSA-N 356.462 3.992 0 1 FHAF CC(=O)Nc1sc2c(c1-c1nc3c(C)nc(C)cc3s1)CCNC2 1857605132 DIRCKEKPSZSIED-UHFFFAOYSA-N 358.492 3.641 0 1 FHAF COc1ccc(Cl)cc1[C@]1(O)C(=O)Nc2cc(C(F)(F)F)ccc21 839813 LMNFTYDGFXTVRA-HNNXBMFYSA-N 357.715 3.555 0 1 FHAF CCCCc1ccc(-c2cc(Cl)cc(C(=O)Nc3nnn[nH]3)n2)cc1 29250985 NCFLRJBVLJBOFW-UHFFFAOYSA-N 356.817 3.510 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C4=NCCO4)[C@H]3CC[C@@H]12 26395179 MCQUWTXHJRSZGA-ICIQGERTSA-N 358.526 3.895 0 1 FHAF CC(=O)O[C@@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@@]3(O)C=C(C)CCC[C@]21C 2356519345 XQNCZSAVXBHWSC-GWWHBBDRSA-N 374.477 3.973 0 1 FHAF COCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5cccnc5)cc34)nc12 28950065 QSDYIYAFRFRSKH-UHFFFAOYSA-N 356.389 3.710 0 1 FHAF CC(=CCOc1c2occc2cc2ccc(=O)oc12)CCC(=O)C(C)(C)O 2356713305 FAMCBSUJERJRIO-UHFFFAOYSA-N 370.401 3.985 0 1 FHAF C[C@H](C(=O)N1CCOCC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40743019 FUWLJSGPXZGUDM-XIRDDKMYSA-N 373.518 3.744 0 1 FHAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3cccnc3)C[C@@H]1O2 84632700 WKKRHONEIOAAQS-LIVBEALHSA-N 366.461 3.714 0 1 FHAF Cc1ccc(-c2nc(C(=O)NCC(=O)OCCC3CCCCC3)co2)cc1 82072281 PBRWGDYGVCDMEU-UHFFFAOYSA-N 370.449 3.893 0 1 FHAF CC(=O)O[C@@H]1C(=O)[C@@]2(C)C[C@@H]3[C@@](C)(O)CC[C@@]32[C@@]2(C)CCCC(C)(C)[C@H]12 238773391 WLLQOXBNKKZMJB-WXBSFEBKSA-N 362.510 3.891 0 1 FHAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)[C@@H](O)C[C@@H](O)/C=C/C=C\2 653695790 JBDGCSAIKVLKHB-SYJGHLRGSA-N 370.401 3.569 0 1 FHAF N=C(N)Nc1ccc(CNc2c(-c3ccccc3)nc3ccccn23)cc1 653798442 VMFUOVBERWPJHN-UHFFFAOYSA-N 356.433 3.919 0 1 FHAF Cc1c(Br)cnc2[nH]c(-c3cc(F)c(F)c(N)c3F)nc12 587137060 RALRGTIZYDBWHW-UHFFFAOYSA-N 357.133 3.695 0 1 FHAF O=C(O)Cc1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587637509 AVFDQCIKIAIJHM-UHFFFAOYSA-N 374.190 3.923 0 1 FHAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(Oc2ccccc2)ccc1CC3 587560420 BIQSAVCYJFBHNV-UHFFFAOYSA-N 357.369 3.994 0 1 FHAF CC[C@@]1(c2c[nH]ccc2=N)N[C@H](C)Cc2ccc(F)c(Br)c21 587748490 XJBBLWDMWOVTCF-QGHHPUGFSA-N 364.262 3.584 0 1 FHAF CCc1nccn1C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587753050 HLLQPPDJCJRMHH-GTNSWQLSSA-N 366.278 3.797 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1N(C)C1CC1)[C@@H](C2)C3=O 587430070 ZPRCUWPLVNWZKG-HRAATJIYSA-N 353.393 3.922 0 1 FHAF Cc1ccc(Cc2nc3nc(Br)c[nH]c-3n2)cc1C(F)(F)F 587095012 MHLKVSBTIDRYOM-UHFFFAOYSA-N 371.160 3.985 0 1 FHAF O=S1(=O)CCCN1c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587216642 IKWFWNWABMTVPS-UHFFFAOYSA-N 350.443 3.540 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2nc(O)[nH]c2c1 587590639 SWJGLHHMNHJOFT-PXNSSMCTSA-N 374.352 3.677 0 1 FHAF CCOC(=O)C[C@]1(C[C@H]2CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536472 UGHDQACRPVRUGP-ZHRRBRCNSA-N 372.461 3.792 0 1 FHAF CCn1c(C)ccc1[C@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962663863 JSRUSBUJOSCCPO-KNQAVFIVSA-N 363.461 3.553 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1ccc3ncn(C)c3c1)N(C)[C@@H](C)C2 962625794 FUWASBUHRNBFAW-ZSEKCTLFSA-N 351.450 3.556 0 1 FHAF CON/C=C/[C@@]1(c2ccc(F)cc2)NCCc2c(OC)ccc(Cl)c21 963256529 DEIDHCYBCMXECY-RDELFYGPSA-N 362.832 3.542 0 1 FHAF CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1-2 13828258 FEJQVWHHYHMMPE-AWEZNQCLSA-N 373.840 3.772 0 1 FHAF CN1CC[C@]2(Cc3ccncc3)c3ccccc3N(Cc3ccncc3)[C@@H]12 169292445 NQWMDCHHKKVXGW-PKTZIBPZSA-N 356.473 3.639 0 1 FHAF O=c1[nH]c(O)c(Cc2ccc(Oc3cc(C(F)(F)F)ccn3)cc2)s1 169722691 RSYGNPPCGVETLP-UHFFFAOYSA-N 368.336 3.939 0 1 FHAF Cc1ccc(NC(=S)N=c2[nH]ccnc2OCc2cccc(F)c2)cc1 1857633389 CEFXSUZNRQDKAY-UHFFFAOYSA-N 368.437 3.734 0 1 FHAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl 677620 VJMRSAOJZSLDHY-AIQZBZIUSA-N 357.624 3.781 0 1 FHAF C[C@@H](Cn1ccc2cc(OCCCNc3ccccn3)ccc21)C(=O)O 1553397 HEKMCUFRMXWTPN-HNNXBMFYSA-N 353.422 3.638 0 1 FHAF CC1=C[C@H](O)[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@@H](OC(=O)c2ccccc2)C1 2356331967 XFIOXSQDNUOOPB-PAPPXSOASA-N 358.478 3.726 0 1 FHAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccccc4)C[C@H]3F)[nH]c2cc1C 2356451949 XZCOQSSUDLICAP-YLJYHZDGSA-N 353.441 3.919 0 1 FHAF CCCCOc1cc(C(=O)NC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2n1 100643239 PXSRGUBKHGVLLK-IAGOWNOFSA-N 367.493 3.769 0 1 FHAF Cc1nc([C@@H](C)N(C)Cc2nc(-c3ccc4c(c3)OCO4)no2)c(C)s1 23128602 ZWWQATSYEAYHCL-SNVBAGLBSA-N 372.450 3.732 0 3 FHAF CN(C(=O)c1cnc2c(n1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cc1 26835576 KSUCFTIYOKDPRZ-UHFFFAOYSA-N 367.449 3.800 0 1 FHAF CC(C)C[C@@H]1NC(=O)OC12CCN(CCc1c[nH]c3ccccc13)CC2 28761312 KKNDVSNBBWCRPI-IBGZPJMESA-N 355.482 3.700 0 1 FHAF NCCN1[C@H]2CC[C@@H]1CC(NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 28564286 DEBMLCCWWGKBJP-SEJPIABJSA-N 371.475 3.598 0 1 FHAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(F)c1)c1cccs1 35259307 GNRYRRZXSMUQBL-OAHLLOKOSA-N 374.326 3.994 0 1 FHAF CNc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3)s2)n1 35931325 YPNATZHZOCDUHJ-UHFFFAOYSA-N 372.881 3.873 0 1 FHAF O=C(O)CN1C(=O)S/C(=C\c2ccc(/C=C/c3ccccc3)cc2)C1=O 72173320 YRCQRTCCWALFCN-QDVYDORWSA-N 365.410 3.978 0 1 FHAF C[C@@H]1CCN(Cc2cccc(F)c2F)C[C@@H]1N(C)c1ncnc2[nH]ccc12 66165791 AVRPPQPEZXXZIO-DYVFJYSZSA-N 371.435 3.583 0 1 FHAF COc1ccc(-c2oc3c(C)c(OC)c(C)c(O)c3c(=O)c2OC)cc1 14727453 OVSZMXIVNBBARU-UHFFFAOYSA-N 356.374 3.808 0 1 FHAF biogenic O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@@H]1CCCc2ncsc21 220887353 BHNCFDHYGNIZED-SNVBAGLBSA-N 374.359 3.917 0 1 FHAF CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)O[C@@H](C)c1ccccc1 49087760 LGSWSRRTZWCPOD-HTAPYJJXSA-N 351.446 3.915 0 1 FHAF N[C@@H](CCC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(=O)O 95585507 LWNPDFDYNCEJMI-NRFANRHFSA-N 361.441 3.919 0 1 FHAF Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CCC2)c(F)c1 2382220462 ZFARKVMKLIDJOD-UHFFFAOYSA-N 353.735 3.826 0 1 FHAF CCOc1cc2ncnc(Nc3cccc(OC)c3)c2c2c1OCCO2 653859682 PJADTLKXGYODKV-UHFFFAOYSA-N 353.378 3.552 0 1 FHAF Nc1ccnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552279 PPZKVYDJYJDSAM-QAPCUYQASA-N 368.776 3.726 0 1 FHAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cncnc4[nH]3)cc2F)c1 587143879 MOAIAGORXYJHOD-UHFFFAOYSA-N 364.336 3.533 0 1 FHAF C[C@H](CN=c1[nH]c2cccnc2[nH]1)CNCc1cc(Cl)cc(Cl)c1 584905045 WHJDPLYTLYNDOF-NSHDSACASA-N 364.280 3.524 0 1 FHAF in-vitro FC(F)c1c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cnc2ncnn12 587128573 PAUSPLPYNQZXCK-UHFFFAOYSA-N 355.135 3.912 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1-n1cccn1)[C@@H](C2)C3=O 587429868 XKZRDFORCVKENU-MGPUTAFESA-N 350.349 3.509 0 1 FHAF O=Cc1cc(C=O)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604810 YVFNYIWWJRHAJA-KNQAVFIVSA-N 374.348 3.720 0 1 FHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cncc(Cl)c3[nH]2)C(F)(F)C1 587132266 OTWZSUXQSGBABW-MRVPVSSYSA-N 358.776 3.581 0 1 FHAF Cc1cc(C)n(C[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587765302 SIWWSUSZMAFEGJ-JDNHERCYSA-N 352.251 3.677 0 1 FHAF Cc1nc(Nc2ccc(F)cc2)sc1-c1ccc2c(O)nc(O)nc2n1 587368864 ATKXUKJRLQWYQY-UHFFFAOYSA-N 369.381 3.751 0 1 FHAF NC(=O)c1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135365 YDZUQAXLVHYFSL-PLNGDYQASA-N 353.250 3.528 0 1 FHAF CCOC(=O)c1ccnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587519141 VDTQRKSKKLWNMB-LJQANCHMSA-N 351.402 3.844 0 1 FHAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(Br)nc3[nH]2)c1 587048828 AUTZGEJVMIKNGU-UHFFFAOYSA-N 365.618 3.999 0 1 FHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238869 GXHALYNOFIYTBR-ZGLRSVDFSA-N 372.469 3.513 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cn(C)c(=S)n1C 962394863 BXGZCLKHWDMTBF-QGZVFWFLSA-N 358.536 3.641 0 1 FHAF COc1ccc2c(c1OC)[C@H](c1c(C)nc3c(C)cccn13)N(C)[C@@H](C)C2 962640251 ZHGOKOKLTLFSLV-VBKZILBWSA-N 365.477 3.934 0 1 FHAF O=C(O)c1ccnc(-n2nccc2O[C@@H]2CCc3cc(Cl)ccc32)c1 146727634 NFVXMQNDOGMBRE-OAHLLOKOSA-N 355.781 3.685 0 1 FHAF O=C1c2ccc(Br)cc2-[n+]2ccc3c([nH]c4ccccc43)c21 15214338 PTIZIDHSSRNUKQ-UHFFFAOYSA-O 350.195 3.905 0 1 FHAF C[C@H](N=O)c1ccc2nnc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1 169694299 CLJYQQITDCCBCJ-UWVGGRQHSA-N 368.347 3.930 0 1 FHAF Cc1cc(C)cc([C@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)c1 1857542581 QPEOIOBGLWFGJN-GOSISDBHSA-N 368.458 3.652 0 1 FHAF Cc1ccc2nc(CCN3C(=O)c4cccc5cccc(c45)C3=O)[nH]c2c1 1857587620 UHXXTHJJNBNORG-UHFFFAOYSA-N 355.397 3.863 0 1 FHAF Cc1nnc2sc(C(=O)N3C[C@H](c4cccc(F)c4)[C@@H]3C)c(N)c2c1C 1857644392 VVSZXIDQYRKLBW-FZMZJTMJSA-N 370.453 3.658 0 1 FHAF CCN(C)Cc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3o2)cc1 1857775395 KMKNEUBBKIEMSG-UHFFFAOYSA-N 353.418 3.929 0 1 FHAF Cc1nn(C(=O)c2ccccc2O)c2c1[C@H](c1ccccc1)SC(=N)N2 6483953 BVSPERARIJIAHO-INIZCTEOSA-N 364.430 3.768 0 1 FHAF CCC(CC)(c1ccc(O)c(C)c1)c1ccc(NC[C@@H](O)CO)c(C)c1 28528642 VXMXALMEFVSYCQ-LJQANCHMSA-N 357.494 3.880 0 1 FHAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@H]1CCC[C@H](C2)N1 100632803 LPKJVTVKWPHUTQ-RDTXWAMCSA-N 366.486 3.750 0 1 FHAF COc1cc2oc(=O)ccc2cc1-c1cc2ccc(=O)oc2cc1OC 219773713 IVNWPVRKHOOFTF-UHFFFAOYSA-N 350.326 3.584 0 1 FHAF CN(C)c1ccnc2sc3c(=O)n(-c4ccc5cc[nH]c5c4)cnc3c12 40847987 YYFOGNITDRWPJI-UHFFFAOYSA-N 361.430 3.543 0 1 FHAF O=c1cc(-c2ccccc2Cl)oc2ccc(CN3CCOCC3)cc12 45291691 ACYKIGYYHQTWHB-UHFFFAOYSA-N 355.821 3.946 0 1 FHAF CC1(C)Oc2ccncc2[C@@H](n2nccc2-c2ccc(Cl)cc2)[C@@H]1O 40863491 IXZUJHOFVXCRRK-MSOLQXFVSA-N 355.825 3.720 0 1 FHAF COc1ccc2cc3c(c(O)c2c1OC)NCc1cc2c(cc1-3)OCO2 238771882 OHXBMJJPRDNBSJ-UHFFFAOYSA-N 351.358 3.884 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(C)(=O)=O)cc1)CC2=O 587487937 OKYDCYQMHBAKRR-HXUWFJFHSA-N 374.458 3.629 0 1 FHAF CC1(C)CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351229 ZLZBGOFKDQCBPC-NQIIRXRSSA-N 355.409 3.649 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(O)ccc1C2 587613303 YEJSFPQYJGBCSS-NFBKMPQASA-N 374.392 3.987 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2nccn2C)(C2CC2)N1 587757831 WABSAWCBQTZTRG-BMLIUANNSA-N 364.262 3.510 0 1 FHAF CC(=O)OC1=C(C)[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587807931 FOTLRMQGYAJJBE-VVVCHXIZSA-N 368.246 3.949 0 1 FHAF C[C@@]1(c2ccc(F)c(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557621 NWJKIXZLSVWIGC-NQIIRXRSSA-N 365.360 3.991 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc3ccccc3c1)(C(=O)O)O2 587407875 LPPCMFHODCWPOW-JOCHJYFZSA-N 361.397 3.762 0 1 FHAF COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1N 587747223 KTKZXQBQQSCYBD-HUTHGQBESA-N 365.246 3.803 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc3[nH]c(Cl)ncc1-3)CC2=O 587460273 HQAPTDWZPIXIHN-HNNXBMFYSA-N 357.797 3.928 0 1 FHAF COc1cc2c3c(c1)O[C@](C[C@@H](C)C(=O)O)(c1cccc(F)c1)[C@@H](C2)C3=O 587426598 FERDOMBYUIDZDQ-BSPLBBPOSA-N 370.376 3.588 0 1 FHAF COc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1C 586997697 QPYRMVLZELHWSB-CYBMUJFWSA-N 360.255 3.885 0 1 FHAF Cc1cnn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587339819 FRLSVMZHGLMEKD-FPOVZHCZSA-N 366.392 3.854 0 1 FHAF Cc1cc(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1Br 586978229 ZJGBKZPUOUZUEI-MRXNPFEDSA-N 359.227 3.948 0 1 FHAF CCc1ccc2occ([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(=O)c2c1 587453288 NLYKGQUVGDFKIU-IVZQSRNASA-N 362.381 3.853 0 1 FHAF C[C@]1([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)CCCS1 962636894 KCMHSCYLTQBZST-NSISKUIASA-N 356.491 3.660 0 1 FHAF COc1cccc2cc3c(nc12)[C@]1(NCC3)[C@H]2CC=C[C@H]2C1(Cl)Cl 963047420 PYMUQASWTLUDMD-PMUMKWKESA-N 361.272 3.964 0 1 FHAF C[C@H]1C[C@]2(CCN1Cc1ccccc1)c1ccsc1CCN2C(N)=O 962721489 ZPXKMKCUVRDUPV-MGPUTAFESA-N 355.507 3.565 0 1 FHAF C[C@H](CC[C@H]1NCCc2c(C(=O)O)cccc21)N(C)C(=O)OC(C)(C)C 963124411 QGUIRPUXAGCNLS-CXAGYDPISA-N 362.470 3.607 0 1 FHAF CCn1cc([C@]2(CC)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c(C)n1 962557757 AGWIEKDOLSBFQL-LHSJRXKWSA-N 357.498 3.759 0 1 FHAF COCCCn1c(C)c(C)c([C@@H]2NCCc3c2c(C(C)C)nn3C)c1C 962917017 KDOQTKYBAGTIBM-NRFANRHFSA-N 358.530 3.542 0 1 FHAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@H]3[C@H]1C5 13586854 LGKQZPYRRAWJJB-JOXUJNMQSA-N 358.441 3.678 0 1 FHAF CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)CCc2cccnc2)C1 13596422 UZMRBFBOASQZLA-KRWDZBQOSA-N 368.502 3.858 0 3 FHAF CNCCc1ccc(OCc2ccccc2)c(I)c1 13681060 MAQZSKBSANEUSG-UHFFFAOYSA-N 367.230 3.632 0 1 FHAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3cccn3C)cc2)C[C@@H]2CC[C@@H]1N2C 169326537 NXORNPDSIJCZRC-YHELAOLJSA-N 352.478 3.822 0 1 FHAF CN(CCOc1ccccc1)c1nc(-c2cncnc2)nc2ccccc12 1857598668 XWUVLZBOOOLDBW-UHFFFAOYSA-N 357.417 3.602 0 1 FHAF Cc1cccc(N2CCN(C(=O)CCc3nc4ccccc4[nH]3)C[C@H]2C)c1 4885628 ZQWDOFMODHFGPG-QGZVFWFLSA-N 362.477 3.541 0 3 FHAF CCOC1(OCC)[C@H]2c3c(OC)cccc3[C@@H]([n+]3ccccc32)C1(C)C 100714880 VFHUXKMKHQJWCZ-WOJBJXKFSA-N 354.470 3.827 0 1 FHAF CNC(=O)c1cc(-c2cnc3[nH]c(-c4ccc(OC)cc4)nc3c2)cs1 103248087 HDMBYXMYCCLJOL-UHFFFAOYSA-N 364.430 3.722 0 1 FHAF COc1cccc([C@H]2C3=C(O)CCCC3=Nc3ncnn32)c1OC(F)F 104060090 KUVQDUJMHDXTHK-AWEZNQCLSA-N 362.336 3.560 0 1 FHAF CC(=O)N(C(=O)c1ccco1)c1ccc(F)c(-c2nc3ncccc3o2)c1 103259387 LVDVQXCRXJKEBB-UHFFFAOYSA-N 365.320 3.815 0 1 FHAF CCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1 101210472 WOXJTIYXWABWRX-UHFFFAOYSA-N 370.836 3.954 0 1 FHAF Cc1nc(NC(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1 103233534 XNDFTRNFNLLUBC-UHFFFAOYSA-N 365.458 3.563 0 1 FHAF CCN1c2ncccc2-c2ncc(C)n2-c2ccc(N3CC=CCC3)nc21 29396967 HBDCMWURQYTLBL-UHFFFAOYSA-N 358.449 3.875 0 1 FHAF COc1cc(-c2cccc(Cl)c2)c2oc(N3CCOCC3)cc(=O)c2c1 26716669 ZMQKKWOFCLIRPN-UHFFFAOYSA-N 371.820 3.959 0 1 FHAF O=C(O)C=C1CN([C@@H]2CC[C@@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64436501 GIZCWMURBFLMON-ZJSXRUAMSA-N 359.469 3.950 0 1 FHAF COc1c(O)ccc2c1Oc1c3c(cc(O)c1C(=O)O2)OC(C)(C)C=C3 139442824 WJMAJWCJOQXJMH-UHFFFAOYSA-N 356.330 3.616 0 1 FHAF O=C1c2cc(C(F)(F)F)ccc2OC12CCN(CC1CCOCC1)CC2 1911572654 DHPGKEQCPLRRHU-UHFFFAOYSA-N 369.383 3.542 0 1 FHAF CN(C)C(=O)COc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1 84636095 ZUPAMCSHOGOQRE-UHFFFAOYSA-N 372.428 3.555 0 1 FHAF COC(=O)c1cc2cc(NCc3ccccc3Br)cnc2[nH]1 148955341 MOEQLLUONDJIIJ-UHFFFAOYSA-N 360.211 3.724 0 1 FHAF COc1cc(NCc2ccc(OC)c(OC)c2OC)ccc1-c1cnco1 96935282 CTCKJXAIHWRHSY-UHFFFAOYSA-N 370.405 3.988 0 1 FHAF Cc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O 473100620 IOYNXGIRDDXRFS-CQSZACIVSA-N 366.396 3.526 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cnc1O 587552384 QXSMEABKCXAVIY-YJBOKZPZSA-N 369.760 3.849 0 1 FHAF Cc1oc(-c2ccsc2)nc1Cc1nc2c(S)nc(S)nc2[nH]1 587027653 ZBJJAYQIKGPZKC-UHFFFAOYSA-N 361.477 3.546 0 1 FHAF CCOC(=O)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800262 WKNRIMYPJAOSRZ-QFYYESIMSA-N 358.251 3.681 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(C(C)(C)C)cccc21 587402278 WTIAYDXTPKYWKK-NRFANRHFSA-N 350.418 3.688 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1cccc(Cl)c1 587654933 PVFDCJBRYCUGRD-UHFFFAOYSA-N 350.230 3.948 0 1 FHAF Cc1csc([C@@](O)(Cc2nc3cc(F)c(F)cc3[nH]2)C(F)(F)F)n1 587094361 QIOMIPHVJJPVMQ-ZDUSSCGKSA-N 363.311 3.599 0 1 FHAF Cc1n[nH]c(C)c1C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587801913 IDUINHKGIKAZBA-XLFHBGCDSA-N 366.278 3.920 0 1 FHAF CC[C@]1(c2c[nH]c(C(=O)OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587527903 VECMKSJBTQERKA-OAQYLSRUSA-N 353.418 3.951 0 1 FHAF Fc1cnc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587029459 OZDKQLFMIOZLDN-UHFFFAOYSA-N 350.382 3.619 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCCCN1C(=O)OC(C)(C)C)O2 587394814 JGYJOOVPHOBFDY-NVXWUHKLSA-N 360.454 3.701 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC2OCCO2)N1 587828914 AZTADIUYWCTAPI-BMIGLBTASA-N 358.251 3.707 0 1 FHAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(OCCN(C)C)cc3[nH]1)CC2 587947624 YRURZLNYVFMVCN-INIZCTEOSA-N 365.477 3.784 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn2nccc12 587584929 CBLFIBZLBMMLLU-GHTZIAJQSA-N 358.353 3.743 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)[nH]n1 587859272 HPAGGOPXCMJDRA-UHFFFAOYSA-N 365.220 3.976 0 1 FHAF CC[C@]1(c2cncn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587752811 GJXHVEWNCWKIHT-MGPLVRAMSA-N 352.251 3.510 0 1 FHAF CCN1C(=O)C[C@@H](c2nc3c(C)nccc3[nH]2)[C@@H]1c1ccccc1Cl 587062091 SIGIZIGBNGFUPZ-ACJLOTCBSA-N 354.841 3.997 0 1 FHAF Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccccc3)ccc12 59445708 FHGVQOMPPFOANW-UHFFFAOYSA-N 350.779 3.523 0 1 FHAF O=C1[C@@H]2C=CC=C[C@H]2[C@@H](c2ccc3c(c2)OCO3)N1c1ccc2nc[nH]c2c1 1772652134 UHULLJMZEXMKEN-WHSLLNHNSA-N 371.396 3.738 0 1 FHAF Cc1cccc(Cl)c1Nc1nc2c3c(ccc2[nH]1)C(C)(C)C(=O)NC3=O 13475183 WDMYTYYNCYQJQX-UHFFFAOYSA-N 368.824 3.816 0 1 FHAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@@H](c1ccccc1F)O3 13982269 FSIPURHGFCITFZ-SFHVURJKSA-N 367.424 3.858 0 1 FHAF COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 169309014 JUUYNFHQKQIBCF-BDYDPJKGSA-N 372.468 3.981 0 1 FHAF COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cc1F 169700509 WAWYTTSOMZIFNS-UHFFFAOYSA-N 368.412 3.612 0 1 FHAF Fc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CCCC1 205232123 WDHUXSLAZIWXPE-UHFFFAOYSA-N 357.433 3.550 0 1 FHAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3ccncc3)nn3ccnc23)n1 207413009 DXBCFWNYIRPKIG-HNNXBMFYSA-N 371.448 3.919 0 1 FHAF CNc1nc(N2CCC(C)(N)CC2)cnc1-c1cccc(Cl)c1Cl 1857605254 DKFJINZHYZDPBI-UHFFFAOYSA-N 366.296 3.810 0 1 FHAF Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1OCC1CC1 225958476 CDCAKPHONNAIQI-UHFFFAOYSA-N 367.380 3.775 0 1 FHAF CSc1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1 3906289 BRLKBSALTPHKRW-KRWDZBQOSA-N 356.447 3.778 0 1 FHAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@H]1CNC1CCCCC1 2356287891 RMCDARNYWLHGGW-VWPQPMDRSA-N 370.493 3.715 0 1 FHAF CS(=O)(=O)c1ccc(-c2nc3c(n2-c2ccc(F)cc2)CCCC3)cc1 103210557 ZBNGNOLIDKZAJR-UHFFFAOYSA-N 370.449 3.961 0 1 FHAF Cc1nc2cnccc2n1-c1ccc(C2=Nc3ncccc3NC(=O)C2)cc1 100041528 AVZCLRAKXPWOSU-UHFFFAOYSA-N 368.400 3.587 0 1 FHAF COc1cc([C@H]2CN=C(c3cccc4[nH]ccc34)O2)cc(OC)c1OC 27523221 LIYRJBDUMLBJDC-GOSISDBHSA-N 352.390 3.712 0 1 FHAF CN(C)CCN1C(=O)c2cccc3cc(-c4ccc(F)cc4)cc(c23)C1=O 66100148 OCPABUIMUVZQAR-UHFFFAOYSA-N 362.404 3.804 0 1 FHAF CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)Oc2ccccc2)CC1 22460253 BJGCGXPXLXSBLO-LPHOPBHVSA-N 373.522 3.604 0 3 FHAF COc1cc(Nc2cncc(-c3ccc(O)cc3)n2)cc(OC)c1OC 35876450 FWHFBPUHLZCHFN-UHFFFAOYSA-N 353.378 3.619 0 1 FHAF NC[C@H](NC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1 40895428 TWYNGDRSMHRPSY-INIZCTEOSA-N 362.458 3.721 0 1 FHAF COc1cc(-c2n[nH]nc2Cc2c[nH]c3ccccc23)cc(OC)c1OC 84669725 OZTFYSIQLCZJMM-UHFFFAOYSA-N 364.405 3.570 0 1 FHAF Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)n(C3CCC3)c(=O)c12 88345676 OVBKKAQIDXMNIF-CYBMUJFWSA-N 374.448 3.874 0 1 FHAF CCCc1nc2c(NCc3cccs3)ncnc2n1C[C@H]1CCCO1 82178140 ILHSLXOWLSQPQJ-CYBMUJFWSA-N 357.483 3.631 0 1 FHAF COc1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 142166447 YGHHZROONVTWLB-XJKSGUPXSA-N 356.426 3.640 0 1 FHAF CCc1snc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC 144609773 BWOXMTOYABXDRG-JTQLQIEISA-N 358.916 3.961 0 1 FHAF CC(=O)O[C@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1OC(C)=O 238738168 OSRHRAOBVGHGFZ-CIQOUTPZSA-N 372.461 3.722 0 1 FHAF CN1CC=CCOCc2cncc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 299815711 QYHOUFKSRXQWPG-UHFFFAOYSA-N 373.460 3.800 0 1 FHAF CN(C)CCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 618012393 DQBRXRZHIJFPFD-UHFFFAOYSA-N 362.521 3.955 0 1 FHAF CC1=C([C@H](C)c2cccc(Oc3ccccc3)c2)O[C@@H]2[C@H](O)CCN2C1=O 299847420 JEMRWTBDJCHWAI-JSVDNDDVSA-N 365.429 3.806 0 1 FHAF O=C(N1CCCCC1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 299832883 XFVGOSMVUZOUSF-UHFFFAOYSA-N 358.417 3.661 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1cc3c(ccn3C)cc1[C@H](N)CC2 653687575 KCPDQMVRGUHBGN-MRXNPFEDSA-N 352.434 3.817 0 1 FHAF Cc1nn(C)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587759130 SNJGVWJSYVKMOO-BCTVWOGZSA-N 352.251 3.562 0 1 FHAF O=C(Cc1cc2c(O)nc(O)nc2nc1-c1cccs1)c1cccs1 587563546 JOKKSSCPFFDZMM-UHFFFAOYSA-N 369.427 3.651 0 1 FHAF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CN(C)C)cc1OC 587637727 GVPHLEHOOIWWRN-UHFFFAOYSA-N 354.406 3.612 0 1 FHAF Cc1cc(OCCn2c(O)cc(C(=O)O)c2O)c(C(C)C)cc1Cl 587943042 JUAVXPPCANQVOA-UHFFFAOYSA-N 353.802 3.762 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCCCC(=O)O)c1)O2 587400193 LKGXBUQELWNKCU-OAQYLSRUSA-N 369.417 3.701 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc[nH]c2=N)N1 587692845 LXGJWPSLQUKOIY-NXSYQRQQSA-N 370.653 3.673 0 1 FHAF COc1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2n1 587020471 SZOCRCUZKBYUGU-UHFFFAOYSA-N 352.419 3.977 0 1 FHAF CCn1nccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587762399 YHYDUVXNICZSJB-QLJPJBMISA-N 352.251 3.602 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CO)(c1c[nH]c3ccccc13)CC2=O 587483372 MEAIYBJGWHYDPQ-NRFANRHFSA-N 351.402 3.679 0 1 FHAF Cc1cccc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)c1 587396222 QWBDGJPRPGRUQK-UHFFFAOYSA-N 364.445 3.526 0 1 FHAF CCOC(=O)[C@@]1(c2ccc(SC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587411328 SODJSKRHCVWFCL-FQEVSTJZSA-N 371.458 3.723 0 1 FHAF CCn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587578450 AEVXVANRCMZJRK-RXVVDRJESA-N 364.401 3.794 0 1 FHAF COc1ncc(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587766696 HCVMTRBXUOTACT-HWPZZCPQSA-N 365.246 3.924 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(OC)c(C)c3OC)nc2c1 587786193 DRMXQGBCDIWUTA-UHFFFAOYSA-N 360.797 3.996 0 1 FHAF Cc1c(Br)cnc2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc12 587158919 ZBZBRKPUWZGKPY-QLJPJBMISA-N 361.218 3.509 0 1 FHAF COc1cccc2cc3c(nc12)[C@]1(C[C@@]2(C)CC(=O)C[C@@]2(C)C1)NCC3 963048073 RNLRHGWXDGZNIY-KOUNCHBCSA-N 350.462 3.754 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C=COc3cc(C(=O)O)ccc32)N1 962946363 LVJVACPGKUKTMK-JLCFBVMHSA-N 360.413 3.940 0 1 FHAF Cc1[nH]c(=O)c(NCc2nc3c(Cl)ccc(Cl)c3o2)cc1[C@H](C)O 5891346 AVPQYVXLYLLOMB-QMMMGPOBSA-N 368.220 3.797 0 1 FHAF COc1ccc(/C=C(\C)[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O 13607918 VTPCPBBVWDRRAV-BEBFYNPSSA-N 360.406 3.564 0 1 FHAF CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F 13759855 JFMKEUCKWUZCOC-UHFFFAOYSA-N 370.856 3.608 0 1 FHAF COC1CCC2(CC1)Cc1ccc(OCCCF)cc1[C@]21N=C(C)C(N)=N1 169708574 HKXVZYVBKHNCOB-VYHPPPRESA-N 373.472 3.541 0 1 FHAF C[C@H]1[C@@H](NC(=O)Nc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206044394 ZMWWWTDPEKYKCX-CNTRQJEFSA-N 355.482 3.768 0 3 FHAF Nc1ncnn2c(-c3ccncc3)cc(-c3ccnn3C3CCCCC3)c12 1857572384 AHEWAZHMPDXLCW-UHFFFAOYSA-N 359.437 3.742 0 1 FHAF O[C@H](CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 1857749781 SSXHQUYKIXWDHO-LJQANCHMSA-N 355.409 3.767 0 1 FHAF CC1=Nc2nnnn2[C@H](c2cccc(C)c2)/C1=C(\O)OC1CCCCC1 104116251 QRJLXRZAJDLLAG-GROYHEBESA-N 353.426 3.796 0 1 FHAF O=C1[C@@H]2CCC[C@@H]2N=C(c2ccccc2O)N1CCc1cccc(F)c1 28522637 RVUYYDYEDLCXFG-AEFFLSMTSA-N 352.409 3.532 0 1 FHAF CO[C@H](Cc1scnc1C(=O)Nc1nccs1)c1ccccc1F 28469528 NJHDXAQYKXSYJC-GFCCVEGCSA-N 363.439 3.921 0 1 FHAF N=C(N)CCCC[C@H]1C(=O)O[C@H]2Cc3ccc(-c4ccc(O)cc4)cc3[C@@H]21 27517222 SPTBONQCVLNHFD-LMNJBCLMSA-N 364.445 3.737 0 1 FHAF COC(=O)c1sccc1NC(=O)Cc1ccc(-c2ccncc2)cc1 64560841 WHORUVUQHFFPNW-UHFFFAOYSA-N 352.415 3.778 0 1 FHAF CC[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H](N)CC(C)C 28756868 YICPFUCSYSAEOE-XBZUYWNMSA-N 358.526 3.597 0 1 FHAF O=C(N/C(C(=O)N1CCCC1)=C(/Cl)c1ccccc1)c1ccccc1 26643004 PYZRSULWYRVUML-ISLYRVAYSA-N 354.837 3.646 0 1 FHAF C[C@H](C(=O)OCCCCO[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1 38192547 DRBPAHMAGAOWNB-HNNXBMFYSA-N 371.389 3.553 0 1 FHAF CCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)oc12 211046766 AJVPUNJYFILEKO-UHFFFAOYSA-N 359.422 3.653 0 1 FHAF COc1cc([C@@H]2CNC[C@H](c3c[nH]c4ccccc34)O2)cc(OC)c1OC 13385558 APYCBBUCRVHTDX-VQTJNVASSA-N 368.433 3.596 0 1 FHAF biogenic O=C1C[C@H](c2ccnc3c(O)cccc23)[C@H](c2ccnc3c(O)cccc23)O1 13379926 SEFQVLVYMCUORS-ZHRRBRCNSA-N 372.380 3.966 0 1 FHAF biogenic Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCN(C)C)cc1 45347610 YAORVKBHKKFOES-QHCPKHFHSA-N 361.489 3.902 0 1 FHAF CC1=C(C(=O)OC(C)C)[C@H](c2nccs2)N2C(=N1)Nc1ccccc12 1911584438 SMVLZERZQULSLE-OAHLLOKOSA-N 354.435 3.712 0 1 FHAF Cc1cnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)cc1C 1911586177 YFYGTCYKGZKOHZ-QGZVFWFLSA-N 364.424 3.831 0 1 FHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](O)(c1ccc(Cl)cc1)C(=O)N2 220541976 KITDTDHKUIUWEM-LJQANCHMSA-N 354.793 3.800 0 1 FHAF COc1ccc(Cc2nnc([C@@H](C)n3sc4ccccc4c3=O)o2)cc1 95596820 GPXJAABLYAOJSE-GFCCVEGCSA-N 367.430 3.655 0 1 FHAF CCOC(=O)c1ccccc1SN1C(=O)C(=O)c2cccc(Cl)c21 95593896 QRKVIQQWWJOOEM-UHFFFAOYSA-N 361.806 3.753 0 1 FHAF COc1cccc(CC(=O)N(C)[C@H](CN2CCCCC2)c2ccccc2)c1 621431672 VWHVPOPLIRETAE-JOCHJYFZSA-N 366.505 3.923 0 1 FHAF COc1ccccc1N1C(=O)CS[C@H]1c1ccc2cccc(O)c2n1 2382220358 PNQHKTCQJQECIK-IBGZPJMESA-N 352.415 3.728 0 1 FHAF O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccccc1F 299866156 ONKPVKZKHPVZII-UHFFFAOYSA-N 352.413 3.524 0 1 FHAF COc1cc(C(=O)c2c[nH]c3ccc(Cl)cc23)c(N)c(OC)c1OC 653715529 YCLXGMZEDQMADC-UHFFFAOYSA-N 360.797 3.660 0 1 FHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(Br)nc2[nH]1 587174199 GEFNRGRJGNHVIZ-NSHDSACASA-N 374.217 3.583 0 1 FHAF Fc1ccc(-n2nnc(-c3nc4cc(Cl)cnc4[nH]3)c2C2CC2)cc1 587168215 GADHCJJMSRSTFT-UHFFFAOYSA-N 354.776 3.876 0 1 FHAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)cc1OC 587441550 LCWPVMBSSYSACD-VFNWGFHPSA-N 354.402 3.900 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587232829 BRNMEKDIYJJYRM-QWHCGFSZSA-N 370.453 3.608 0 1 FHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(F)cc(Br)c2[nH]1 587094332 PWMQDHNGUOEDBK-RXMQYKEDSA-N 368.128 3.594 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)c(O)c2)N1 587740598 BGZJZKUQWXWVBO-XLFHBGCDSA-N 365.246 3.674 0 1 FHAF O=C(O)c1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1F 586978934 CUXAPYYPWINESY-UHFFFAOYSA-N 370.565 3.878 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4cccs4)nc1)[C@@H](C2)C3=O 587451298 MUEPHFBNIXQAFN-SCLBCKFNSA-N 350.399 3.702 0 1 FHAF Cn1ccnc1[C@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512336 MZMTXBXWMPDECE-JOCHJYFZSA-N 359.429 3.603 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)c3ccccc32)N1 587822792 MKPWFBUEDUDGQA-MLCYQJTMSA-N 360.226 3.952 0 1 FHAF CC(=O)c1ccc(-c2cccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)cc1 586881144 SWXSUFNIBXXUPL-UHFFFAOYSA-N 363.808 3.907 0 1 FHAF Cc1ccnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc12 587000250 HNPNGZZDAUMTII-ZDUSSCGKSA-N 370.254 3.753 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3cccc(F)c3)CC1)O2 587384716 NPGIVYPBJMHVPT-UHFFFAOYSA-N 354.425 3.716 0 1 FHAF COc1cc(OC)c2[nH]c(-c3sc(Br)nc3C)nc2c1 587010799 GMCFRNGBEPGAEQ-UHFFFAOYSA-N 354.229 3.775 0 1 FHAF CCOc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587527683 VHYFXWFKVZGDST-JOCHJYFZSA-N 363.413 3.777 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccn(C(F)F)n1 587556502 OQRIKUFHEYEEFO-YOEHRIQHSA-N 358.300 3.687 0 1 FHAF CC(C)CCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660411 DDYHGWQAQGOYCD-UHFFFAOYSA-N 369.465 3.971 0 1 FHAF O=C(O)[C@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350452 HTSCFOXRYNUKFZ-TUIFFPIZSA-N 356.349 3.514 0 1 FHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Cl)nc2[nH]1 586974017 SZQDQGVCHSCVKI-AWEZNQCLSA-N 360.870 3.722 0 1 FHAF COC(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1OC 587084101 GFXROVOTFROWLC-UHFFFAOYSA-N 352.177 3.727 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3cccn3)c(F)c1)O2 587382157 OXEINBWCXWTHHR-FQEVSTJZSA-N 351.381 3.783 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3[nH][nH]c(=Nc4ccccc4)c31)O2 587396041 JAWSXSCNLGWTPJ-JOCHJYFZSA-N 374.444 3.663 0 1 FHAF COc1ccc(OC)c(NC(=O)C[C@]2(C)NCCc3cc(C)c(F)cc32)c1 962095861 XYELUKJAOQMUME-NRFANRHFSA-N 372.440 3.541 0 1 FHAF O=C(O)CCCC[C@]1(c2cccc(F)c2)NCCc2c(C(=O)O)cccc21 963121807 LSQKUFVBXLYDCQ-OAQYLSRUSA-N 371.408 3.558 0 1 FHAF Cc1cccc([C@@]2([C@H]3CCC[C@H]3C(=O)O)NCCc3ccc(O)cc32)c1 963328487 GRWBMZIMOABZOW-DXIQSLLYSA-N 351.446 3.591 0 1 FHAF C[C@H](CC[C@@H]1C(C(=O)O)=CC(=O)[C@H]2C(C)(C)CCC[C@]12C)CC(=O)O 13330329 BNEIWLJTTLILKL-MZWCALOPSA-N 350.455 3.920 0 1 FHAF biogenic CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)N1CCC1 169720791 IROBRIAPKMUEAZ-JKSUJKDBSA-N 363.248 3.734 0 1 FHAF CC(C)CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1 203006698 XHAFAHJJGOGELZ-UHFFFAOYSA-N 351.252 3.651 0 1 FHAF COc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc(O)c(OC)cc2CCN1C3 209399927 YWASQRGNVBAZOS-IBGZPJMESA-N 350.418 3.546 0 1 FHAF Cc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCC2)cc1 3036157 ATXFJTCVBJYXSS-OAQYLSRUSA-N 354.494 3.982 0 1 FHAF C[C@@H]1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1 3994343 OXUTXRZFYPFZEZ-NSHDSACASA-N 370.503 3.996 0 1 FHAF CNc1nc(C)c2cc(-c3ccc(Cl)nc3)c(=O)n(C3CCCC3)c2n1 117768072 RYQYLEOEQCANNF-UHFFFAOYSA-N 369.856 3.972 0 1 FHAF Cc1cnc2c(NCCN(C)C)nc3cc(-c4ccccc4)sc3n12 28950736 YEGWKIFISRCWRD-UHFFFAOYSA-N 351.479 3.893 0 1 FHAF O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCOCC1 28826678 JEDDDOZKQJDNDH-UHFFFAOYSA-N 368.311 3.724 0 1 FHAF CCCc1nnc(C[C@@H]2C[C@H](C(C)C)[C@@H](CN3CCN(C)CC3)C=C2C)o1 2356856152 RXSFRNBJNYDODX-XUVXKRRUSA-N 374.573 3.667 0 1 FHAF CN1CCN(c2nc(NCc3ccsc3)c3cc(Cl)ccc3n2)CC1 40845205 FBCSJKFTYVZTSO-UHFFFAOYSA-N 373.913 3.709 0 1 FHAF CCc1c(OC)ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c12 43013862 ANRVNXRSUNQDQL-UHFFFAOYSA-N 369.417 3.996 0 1 FHAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCc1ccccc1F 82203560 XNXXECUCESEVPM-UHFFFAOYSA-N 369.488 3.601 0 1 FHAF COc1c(C)c(O)c2c(=O)c(OC)c(Oc3ccc(O)c(C)c3)oc2c1C 95486284 SFEARGANBZHPSU-UHFFFAOYSA-N 372.373 3.939 0 1 FHAF biogenic,in-vitro O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1cccnc1 299820655 GNXOWGBPXKFOSM-UHFFFAOYSA-N 366.424 3.794 0 1 FHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)NC1CCCCCCC1 587650841 VGRNEIRJEIUWPE-UHFFFAOYSA-N 362.495 3.723 0 1 FHAF COc1ccc(-c2cccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)cc1 587935617 PFNUEGWJPZOYMD-UHFFFAOYSA-N 351.797 3.713 0 1 FHAF Cc1[nH]c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)O 587794393 UQPHRIWGHNHFAJ-KWKYVRJSSA-N 367.218 3.547 0 1 FHAF Cc1ccc2c3c(cc(-c4cc(C(N)=O)n(C)c4)nc13)-c1ccccc1C2=O 587097488 JJENELBOVHGIDB-UHFFFAOYSA-N 367.408 3.859 0 1 FHAF C[C@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccccc1C(F)(F)F 587096482 BWRYFMQNMPWJLE-JTQLQIEISA-N 358.327 3.709 0 1 FHAF Cc1cnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 587003958 YQVZBLUQMMPURV-UHFFFAOYSA-N 356.227 3.621 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(Cl)n1 587552007 MCVPZNOTTCEIMG-CRAIPNDOSA-N 369.760 3.849 0 1 FHAF C[C@H]1C[C@@H](C)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349397 BYXDWDJMJVLITL-MGVJNCPVSA-N 354.377 3.874 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn3nccc3c2)N1 587789868 AUDQDQVDFTYHFN-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF Cc1nc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587552070 NCHGULQUAUWEND-LPHOPBHVSA-N 368.776 3.847 0 1 FHAF CCn1ncc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546134 IKMOCXAUWGKARM-HNAYVOBHSA-N 370.792 3.965 0 1 FHAF COC(=O)[C@@H]1[C@H](C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587810595 UWPTVBHTWGGBOD-SZGVZUEBSA-N 370.262 3.537 0 1 FHAF COc1cccc(-c2n[nH]cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587438253 DMPHNGDEXIVDSF-VFNWGFHPSA-N 362.385 3.583 0 1 FHAF N[C@]1(c2nc3cc(F)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F 587156807 QCRIMUYAFOLMLN-MGPLVRAMSA-N 364.193 3.945 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)c2nc3cncc(Br)c3[nH]2)cc1 587938128 STCYXUAOXLRWBF-RFAUZJTJSA-N 362.227 3.566 0 1 FHAF O=C1N(CCc2ccccc2)C(=S)NC1(c1ccccc1)c1ccccc1 13642221 BDQOJOMHIBHKHV-UHFFFAOYSA-N 372.493 3.890 0 1 FHAF CCCCOC(=O)Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@H](O)C[C@@H]21 1857571147 BFPYSJMEGNMOPV-ARFHVFGLSA-N 362.466 3.694 0 1 FHAF CCOC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)c2cccnc2)C=C1C 2356311313 FAQNBRHHZXZATJ-IPMKNSEASA-N 358.482 3.619 0 1 FHAF CC=CC=Cc1c(CC=C(C)C)cc2c(c1CO)OC(C)(C)[C@@H](O)C2=O 2356326691 ZNFQXDMVJMBYTQ-NRFANRHFSA-N 356.462 3.992 0 1 FHAF O=C(NCCCCO)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66098385 XDELYWOQWCKCQO-UHFFFAOYSA-N 362.735 3.516 0 1 FHAF CC[C@H]1[C@H](C)C(=O)C[C@@]23CCN(CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 29219830 WNPYNRMJONMARB-NGCPPRERSA-N 353.506 3.922 0 1 FHAF Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccc(F)cc1)O3 34602344 KKFVCJNLARMDCK-SFHVURJKSA-N 367.424 3.789 0 1 FHAF O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(F)cc1)O[C@@H](CCC(F)(F)F)C2 72139924 FCVWXLHBBVCZFH-GXFFZTMASA-N 374.359 3.945 0 3 FHAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1ccnc1)C(F)(F)F 35086113 HHOKWSQIKSJHQJ-MRXNPFEDSA-N 360.351 3.692 0 1 FHAF COc1cc(CC[C@@H](CC(=O)CCc2ccc(O)cc2)OC)ccc1O 13341081 DOJDRAWSRCBQPL-IBGZPJMESA-N 358.434 3.646 0 1 FHAF biogenic O=C(C(=O)N1CCC(Cc2ccccc2)CC1)c1c[nH]c2cccc(O)c12 73240535 QHDRDNDDXLCDRA-UHFFFAOYSA-N 362.429 3.538 0 1 FHAF CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C(=O)O)c3CC[C@@H]21 45364659 FYNBSODPHHUGIL-PKOBYXMFSA-N 357.837 3.678 0 1 FHAF O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2cccc(F)c2F)c1 621430229 OUDJGLHVKCOQSU-OAHLLOKOSA-N 357.356 3.558 0 1 FHAF COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)cc(OC)c(C)c1O2 32290053 GBAQJUAXTCJTDK-UHFFFAOYSA-N 372.373 3.746 0 1 FHAF biogenic CC[C@H](C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 95574187 CQKLJJCVXBOQJX-IPPLJADBSA-N 362.466 3.817 0 1 FHAF biogenic CCOC(=O)c1ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2c1 587176503 NRHSURCRPXIHCO-UHFFFAOYSA-N 350.353 3.676 0 1 FHAF CCOC(=O)C[C@]1(C[C@@H]2CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536469 UGHDQACRPVRUGP-AOMKIAJQSA-N 372.461 3.792 0 1 FHAF C[C@]1([C@H]2CCCCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343464 CEAWDDSOOMZTSU-SFHLNBCPSA-N 355.409 3.791 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1CNC(=O)OC(C)(C)C)O2 587387399 POXGOURAKRQJGO-SZNDQCEHSA-N 374.481 3.996 0 1 FHAF C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441708 HAFZWMWCGOTGPX-LPUTZYQTSA-N 370.445 3.737 0 1 FHAF Brc1cnc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587016040 FGLWKPHAFGGXPL-JTQLQIEISA-N 351.229 3.695 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Cl)ccc(Cl)c21 587379750 KQHYXRWSIBDVLE-QGZVFWFLSA-N 363.200 3.697 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1cccc(F)c1)([C@@H](C)CC(=O)O)[C@@H](C2)C3=O 587428819 QHEHTPJNBVZGNL-SBOBAANCSA-N 370.376 3.588 0 1 FHAF COC(=O)/C(=C/N(C)C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105036 ZQBPCLJWGRQVRE-SFQUDFHCSA-N 358.397 3.522 0 1 FHAF O=C(c1ccoc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655584 AFMKGSBBDMGMNF-UHFFFAOYSA-N 352.296 3.623 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)co2)N1 587829030 PUXVWNBFXYWWMA-VPTHRUTESA-N 368.202 3.677 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(Br)c1F)O2 587384109 AIQDAAOFIJUEOW-LBPRGKRZSA-N 351.175 3.580 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CCO)cc1 587607972 JNCRAKZHTYLIAU-SIKLNZKXSA-N 362.381 3.630 0 1 FHAF Oc1ccc(OCCc2ccccc2)n1-c1n[nH]c(-c2ccccc2F)n1 587944996 GIANZHUUNZVQGH-UHFFFAOYSA-N 364.380 3.729 0 1 FHAF CCOC(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800485 XZQHQRPRDUPSRS-DIFFPNOSSA-N 372.278 3.927 0 1 FHAF Nc1cncc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587253953 IAXMLKRCAYQNHG-UHFFFAOYSA-N 357.133 3.988 0 1 FHAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n(C)n1 587344606 XFQPVNKONHWKPS-PZJWPPBQSA-N 366.392 3.848 0 1 FHAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587805269 FFDLYSQKHDUOLX-HUTHGQBESA-N 366.230 3.926 0 1 FHAF CCO/C=C(/C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523637 LNMGQFCXCYEQFN-YULVEUEDSA-N 358.434 3.773 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC(=O)C[C@H]3C2)N1 587818000 OAJQBPRUGNPTGS-USWWRNFRSA-N 352.247 3.707 0 1 FHAF CC[C@@]1(C2=NCCS2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587856577 NLVGOOUOCGZYJS-BJOHPYRUSA-N 357.292 3.873 0 1 FHAF COc1ccc2[nH]cc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2c1 962763290 JYQBSMBDWJUXBB-ZWKOTPCHSA-N 374.362 3.912 0 1 FHAF Cc1ccnc2c1CCN[C@@]2(Cc1ccc(C(=O)O)cc1)c1ccccc1 963068674 CDBSTOQMLYHLTR-QHCPKHFHSA-N 358.441 3.720 0 1 FHAF C[C@]1(Cn2c(C(F)(F)F)nc3ccccc32)NCCc2ccc(O)cc21 963327834 AGWUHQVSCBNECH-GOSISDBHSA-N 361.367 3.822 0 1 FHAF COc1cc(Nc2cc(C)nc3cc(C(F)(F)F)nn23)cc(OC)c1 1772614157 HVDOFCUVENNRPL-UHFFFAOYSA-N 352.316 3.817 0 1 FHAF O=C(Nc1ccn2cc(-c3ccc(F)c(F)c3)nc2c1)N1CC[C@H](F)C1 1772649312 FHQHSPCTWPJNIQ-LBPRGKRZSA-N 360.339 3.855 0 1 FHAF CCc1cccc2c1C(=O)N1CCC[C@H]1c1c(C(=O)OC(C)(C)C)ncn1-2 13828244 RHPKZBYJDUTEOD-HNNXBMFYSA-N 367.449 3.681 0 1 FHAF O=C(c1cc2ccccc2o1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 25241199 FQTVDODESOTCCZ-UHFFFAOYSA-N 374.396 3.777 0 1 FHAF NCCCNc1nc(-c2cccc(OC(F)(F)F)c2)cc2ncccc12 13489161 JYDBMWYHCQHXMH-UHFFFAOYSA-N 362.355 3.956 0 1 FHAF Cc1ccccc1N1C(=O)CN(C(C)(C)C)C(=O)[C@@H]1c1ccc(F)cc1 1358085 IZVNZHLVLWQUKU-IBGZPJMESA-N 354.425 3.849 0 3 FHAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356286689 LXXMWOMKFYVTPY-RCCFBDPRSA-N 366.509 3.881 0 1 FHAF COC(=O)[C@H](C)Oc1ccc(N(C)c2ccc(C(F)(F)F)cn2)cc1 29254047 MXNRWGJUBURZRG-NSHDSACASA-N 354.328 3.809 0 1 FHAF Oc1ccc([C@](O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1 26942372 VMLXPRXNXAICKB-QFIPXVFZSA-N 357.413 3.587 0 1 FHAF CCOc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1 28877778 ITIOWGSCAFQKQV-UHFFFAOYSA-N 350.378 3.542 0 1 FHAF CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1cccc(O)c1 2356693168 AENDLKDNJZSFFY-BLKABHOGSA-N 355.478 3.792 0 1 FHAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCCN2C(=O)OCCF)on1 61906580 WQOVLBPOBCBBMZ-HNNXBMFYSA-N 361.373 3.560 0 3 FHAF CC(C)C[C@H](S)C(=O)C[C@H](Cc1ccc(Br)cc1)C(=O)O 219762998 HSHGOAKGYAGHLY-WFASDCNBSA-N 373.312 3.996 0 1 FHAF Cc1cc(-c2coc3ccc(NCCN4CCOCC4)cc23)c(O)cc1O 49803712 HMIUROKTBYXWAR-UHFFFAOYSA-N 368.433 3.564 0 1 FHAF Cc1cc(C)cc(NC(=O)N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1 1911581457 YVYYDJFYJRAISH-NRFANRHFSA-N 355.482 3.702 0 1 FHAF O=C(CC1CC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 95878623 MBJPQUOUDOTXDS-JMUQELJHSA-N 362.473 3.830 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2C1=CC(=O)OC1 255273275 VMPVNEMZRALGCT-SENKNIIQSA-N 372.505 3.524 0 1 FHAF CC1(C)CCN(c2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)CC1 299857135 CPUYFCAUTUTXAE-UHFFFAOYSA-N 352.486 3.936 0 1 FHAF CC(C)OC(=O)C1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC(F)(F)C1 587131089 XCJJZEDRFOMQAD-UHFFFAOYSA-N 366.261 3.738 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2nc(Cl)c[nH]c-2n1 587233176 JQLJLGUVUQTWIX-NXEZZACHSA-N 351.838 3.509 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3cnc4c(F)cccc4c3N)nc2c1 587176515 OHILZXSCEGDRSH-UHFFFAOYSA-N 370.771 3.939 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(N3CCOCC3)c1)CC2=O 587473871 CMLLIFQAJICPDX-OAQYLSRUSA-N 367.445 3.888 0 1 FHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(F)cc(F)c2[nH]1 587258970 BQKGLTBSRIMUIB-HNNXBMFYSA-N 374.391 3.548 0 1 FHAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(F)c(-n3cccn3)cc2[nH]1 587071610 LFWVPZXKBXWWIH-UHFFFAOYSA-N 354.772 3.967 0 1 FHAF Cc1ncn(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587755379 PEVPUYFJOUWNQA-BMLIUANNSA-N 366.278 3.851 0 1 FHAF Cc1cnn(CCF)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587712568 BDXUWTBRBRBYNW-ZUZCIYMTSA-N 370.241 3.686 0 1 FHAF O=C(O)c1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587075694 GZCKJARHPDDALU-UHFFFAOYSA-N 368.780 3.750 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CCCC[C@@H]32)N1 587790085 HAYBRMTXETUZLT-SSKCKEOISA-N 353.279 3.576 0 1 FHAF C[C@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(N)=O 587511432 PXRVFPDRCKMVEB-RNODOKPDSA-N 365.429 3.525 0 1 FHAF C[C@@]1(Cn2ccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339883 GJXMZVFSKBPCHZ-QUCCMNQESA-N 352.365 3.546 0 1 FHAF CC[C@@]1(c2cncn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587755304 OPZGXNJFMSHXOV-MGPLVRAMSA-N 352.251 3.510 0 1 FHAF COC(=O)c1cc2[nH]c(Cc3csc(-c4ccco4)n3)nc2cc1OC 587018045 UOPNTBMQSBFCDE-UHFFFAOYSA-N 369.402 3.665 0 1 FHAF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@](O)(c1nccn1C)C(F)(F)F 587630259 XCBWMUIDPFAXFY-AWEZNQCLSA-N 361.726 3.801 0 1 FHAF COC(=O)C12CC([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)(C1)C2 587807088 KXVXKRBKHFKNFC-DVRNNTLOSA-N 368.246 3.507 0 1 FHAF O=C(Nc1nc(Cc2nc3cccc(O)c3[nH]2)cs1)c1cccs1 587019132 HUYHNFOSKHHWEV-UHFFFAOYSA-N 356.432 3.630 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 587395454 MGXMSRURJHNIQW-CXAGYDPISA-N 360.454 3.558 0 1 FHAF Cc1ccc2c3c(c4c(nc13)[C@H](CNC=O)CCC4)-c1ccccc1C2=O 586994825 AWGLRSRDWUBNFJ-AWEZNQCLSA-N 356.425 3.921 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@@H](c2cc(O)ccc2Cl)N1)C(F)(F)F 962764291 LGESXPRJNMDIPD-CABCVRRESA-N 355.743 3.781 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(Cl)c(O)cc1F 963066006 KWPZKRQHIFJOTL-IBGZPJMESA-N 358.800 3.977 0 1 FHAF COc1cccc(CN(C(=O)c2ccccc2)[C@@H](C(N)=O)c2ccccc2)c1 1772603486 NACPFAKKSBPVRT-OAQYLSRUSA-N 374.440 3.564 0 1 FHAF CC(=O)N[C@H](C)c1nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)no1 1772615277 KTLYKEGHTQCSBN-GFCCVEGCSA-N 366.377 3.545 0 1 FHAF O=c1[nH]c(CCCN2CC=C(c3ccccc3)CC2)nc2cccc(F)c12 13581542 AGWUKGSYPXFPSJ-UHFFFAOYSA-N 363.436 3.784 0 1 FHAF O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2nccnc2Cl)CC1 1857637364 LXJXHZVHXDSQMA-UHFFFAOYSA-N 369.227 3.778 0 1 FHAF CC(C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 2469311 RGPQSUQEYRDNEV-VQTJNVASSA-N 361.445 3.603 0 1 FHAF CC[C@H](C)C(=O)O[C@@H]1C(=O)c2c(O)cc(OC)cc2O[C@@H]1c1ccccc1 2356433417 JAOSOUFNEUGWHA-NXXCRTJYSA-N 370.401 3.675 0 1 FHAF O=C(CNc1ccc(Cl)c(O)c1)Nc1nc2ccc3[nH]ncc3c2s1 115721486 FJXAKWGPTCSFIG-UHFFFAOYSA-N 373.825 3.582 0 1 FHAF CN(C)c1cccc2c(S(=O)(=O)NCc3ccc(N=O)cc3)cccc12 64633608 XKTQDSMBOPQHOR-UHFFFAOYSA-N 369.446 3.782 0 1 FHAF in-vitro CCN(CC)CCCOc1cc2c(cn1)[C@H](c1ccccc1)CN(C)C2 28883580 MVPLENCWDAZKFW-NRFANRHFSA-N 353.510 3.770 0 1 FHAF C[C@](O)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F 64560592 HEYYMMKRFXWVJQ-AWEZNQCLSA-N 364.772 3.943 0 1 FHAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OC[C@@H](CN)O3)cc1 28863856 ZVDUYGWBRFLKLU-PMQIGOLDSA-N 366.461 3.735 0 1 FHAF COC(=O)C=C(C)CC[C@]1(C)[C@H](C)C[C@H](O)[C@]2(C)C(CO)=CCC[C@@H]21 2356685870 JBUAQUFKSAIGHN-OJVCSNARSA-N 350.499 3.628 0 1 FHAF CO[C@@H]1C=C(C(=O)O)[C@]2(C)CC[C@H](C)[C@](C)(CCC3=CCOC3=O)[C@@H]2C1 2356738123 YWJHZGOKKDDVHY-LLIABOKJSA-N 362.466 3.738 0 1 FHAF O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc(-c2cccc(F)c2)no1 71341924 RZQLAROFFIWLGZ-INIZCTEOSA-N 355.344 3.992 0 1 FHAF O=C(c1ccc2nc(NC(=O)C(F)(F)F)cn2c1)c1cc2ccccc2[nH]1 49112502 SEVGKKBPLJXQCA-UHFFFAOYSA-N 372.306 3.547 0 1 FHAF O=C(OCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)c1ccccc1 1911570464 APFCQLXTKXWXMM-UHFFFAOYSA-N 361.323 3.702 0 1 FHAF CCSc1nnc(-c2cc(Br)c(Br)[nH]2)o1 95576079 BXZQKMRLEZLNME-UHFFFAOYSA-N 353.039 3.702 0 1 FHAF Clc1ccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)cc1 95580587 AMBMVBUSJIGITE-UHFFFAOYSA-N 367.840 3.772 0 1 FHAF Cc1nc2cccnc2n2c(-c3cc(CC(C)(C)O)ccc3Cl)nnc12 145742988 SFEWMOMVTSGTPU-UHFFFAOYSA-N 367.840 3.615 0 1 FHAF CC(C)C(=O)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 377836325 QNMZHQJKXSVBLE-UHFFFAOYSA-N 370.134 3.957 0 1 FHAF O=C1C[C@H](Sc2ccc(F)cc2F)N1C(=O)Nc1ccccc1F 299868613 RXGNHTIYBJVWQK-HNNXBMFYSA-N 352.337 3.987 0 1 FHAF COc1ccc2c(OCCn3c(=O)oc4ccc(C)cc43)ccnc2c1 653735916 BIOCSXIFIFOWSS-UHFFFAOYSA-N 350.374 3.539 0 1 FHAF CCOc1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)nn1CC(C)C 587392067 VXHQZKSVXOEELU-KRWDZBQOSA-N 357.454 3.843 0 1 FHAF CCOC(=O)c1ncc(Cl)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587380226 RAIYIMBAUABJIK-LJQANCHMSA-N 374.824 3.683 0 1 FHAF CS(=O)(=O)/C=C/c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586923480 MTPWIGWOZHUOLI-NSCUHMNNSA-N 358.263 3.616 0 1 FHAF Nc1ccnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 587081302 MYQZTLZWMAYIJX-UHFFFAOYSA-N 361.796 3.570 0 1 FHAF COC(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803738 BVRDWRLPJHKSAV-QFYYESIMSA-N 358.251 3.537 0 1 FHAF CS(=O)(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587086184 WHDRKTIFLZMFLW-UHFFFAOYSA-N 357.822 3.835 0 1 FHAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O 587527242 VTSBCNFJOSGAMQ-IBGZPJMESA-N 352.386 3.979 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@H](c2csc(C3CC3)n2)N1)C(F)(F)F 962727753 AOOLZQDWSQFXMK-TZMCWYRMSA-N 352.381 3.756 0 1 FHAF O=C1Nc2c(COc3ccccc3)ccnc2N(C2CC2)c2ncccc21 5939121 VRBHUDBHNQMOJO-UHFFFAOYSA-N 358.401 3.922 0 1 FHAF O=C(N[C@@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)c1ccccc1 13455231 SIFKDUJBOXTKPK-ZIAGYGMSSA-N 365.216 3.733 0 1 FHAF CC[C@H](CC#N)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167019288 HZSBUBAAHZEUNE-GOSISDBHSA-N 362.433 3.656 0 1 FHAF COc1ccc(S(=O)(=O)n2ccc3cccc(-c4ccncc4)c32)cc1 1857755341 RKSZAVFJUQFFKR-UHFFFAOYSA-N 364.426 3.949 0 1 FHAF CC[C@H](C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 3044737 XUQVDSHTTQDJHN-NSHDSACASA-N 362.355 3.943 0 1 FHAF CCN(CC)CCOC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1 3320266 GPDZDGRYESPHKI-UHFFFAOYSA-N 370.474 3.551 0 1 FHAF O=C(N/C(=C/c1ccccc1Cl)C(=O)N1CCCC1)c1ccccc1 4893776 WXZMUWJFPZWOBT-NBVRZTHBSA-N 354.837 3.733 0 3 FHAF CCCSc1nc(C)sc1C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 103252796 CDUSNQGFNPWPJQ-LIBOCTFXSA-N 366.552 3.623 0 1 FHAF C=CC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(-c3ccccc3)nc2c1 58638906 DBXZXNJCPSGVAC-UHFFFAOYSA-N 356.389 3.888 0 1 FHAF in-vitro CCOC1(OCC)[C@H]2c3ccc(OC)cc3[C@@H]([n+]3ccccc32)C1(C)C 100714943 NVFLNAMHCOOEHX-VQTJNVASSA-N 354.470 3.827 0 1 FHAF COc1cc2c(cc1S)O[C@@H](C[C@H](c1ccc3c(c1)OCO3)[C@@H](C)O)C2 29392613 PDDJIPBOFGXVEP-DFBGVHRSSA-N 374.458 3.571 0 1 FHAF CC(=O)Nc1cccc(-c2ccc3c(c2)COCC(=O)N3CC2CC2)c1 74375229 HFVIJDQZOYJIAQ-UHFFFAOYSA-N 350.418 3.585 0 3 FHAF COc1ccc(/C=C(/C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O 38151988 ZCMJTMRUBOCGSY-WQLSENKSSA-N 358.390 3.713 0 1 FHAF CC[C@H]1C(=O)N2C=CSC2=[N+](Cc2ccc(-c3ccccc3)cc2)C1=O 40554744 BGZULEMVJLVKNZ-SFHVURJKSA-N 363.462 3.835 0 1 FHAF O=C(N[C@@H]1CCc2cc(Cl)cc(Cl)c21)[C@H]1COc2ncsc21 220866008 VTSGEBIIIVYRPF-GXSJLCMTSA-N 355.246 3.730 0 1 FHAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2)C1 82133304 VSECRGYYMUZYTQ-IRXDYDNUSA-N 364.493 3.862 0 1 FHAF COc1cc(N)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 84587044 DNHMCBAUCKMZOU-UHFFFAOYSA-N 356.451 3.685 0 1 FHAF CC[C@H]1Cc2n[nH]cc2[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1 49067832 LBUIKNKQOBTCII-BLLLJJGKSA-N 353.875 3.540 0 1 FHAF COCCn1c(-c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178205 YHPFERASUMFZGX-UHFFFAOYSA-N 359.433 3.752 0 1 FHAF Cc1ccc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1N1CCOCC1 45259963 WTPYCCSLBGPSOQ-ZNLUXHQJSA-N 356.510 3.776 0 1 FHAF COc1ccc(-c2c(CO)c(CO)c3sc4ccccc4n23)cc1OC 84714690 PIFDSNBPSOFDOM-UHFFFAOYSA-N 369.442 3.823 0 1 FHAF CC(C)(C)OC(=O)N1CCC([C@H](N)Cc2cc(F)c(F)cc2F)CC1 40974838 SMWIXKKUHQMTCS-MRXNPFEDSA-N 358.404 3.621 0 1 FHAF CN1[C@H]2CC[C@@H]1Cc1c2c2cc(S(=O)(=O)c3ccsc3)ccc2n1C 96175182 SMOFOLADDUHJJG-PXAZEXFGSA-N 372.515 3.764 0 1 FHAF CCN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(OC)c2)C1 95596574 PGZUAZYZPAOAOH-UHFFFAOYSA-N 365.473 3.960 0 1 FHAF Cc1ccc(N2CCN(CC[C@H](OC(N)=O)c3ccccc3)CC2)c(C)c1 95579497 PZTQTTJVZJBDHT-NRFANRHFSA-N 367.493 3.652 0 1 FHAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C=C3CCC3)[nH]c2c1 587965860 ZAYYMRXJKLGHNG-UHFFFAOYSA-N 369.446 3.940 0 1 FHAF CCOC(=O)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352411 XFCURSOMVKQKBO-YLJYHZDGSA-N 358.365 3.602 0 1 FHAF CCN(CC)C(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587742592 SHXPITFHXGWOHT-APPDUMDISA-N 371.294 3.596 0 1 FHAF CCCc1nc(-c2nc3c(Cl)nccc3[nH]2)nn1-c1ccccc1F 587156353 MLZATYICLFLUDZ-UHFFFAOYSA-N 356.792 3.951 0 1 FHAF CN(C)CCOc1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 587093117 VPQDTZBYXVGMHJ-UHFFFAOYSA-N 368.359 3.653 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc3c(cc2[nH]1)OCO3 587043804 VKTWXZUDWSAVCN-HNNXBMFYSA-N 373.821 3.601 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)nc2F)N1 587738339 NELMGQOOSNEHNW-WJWGPLDTSA-N 357.173 3.885 0 1 FHAF Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587581132 KDZVERHJGQHXGD-PGRDOPGGSA-N 372.380 3.982 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCC3=O)cc1)O2 587396849 WLRSQUXUCBURLW-NRFANRHFSA-N 350.418 3.585 0 1 FHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587926089 HLHZQRSZYPLXMZ-CQSZACIVSA-N 374.462 3.526 0 1 FHAF COc1ccc(/C=C/Cc2nc3ccc(Br)nc3[nH]2)c(OC)c1 587930760 VACYIZRDARWLQL-ONEGZZNKSA-N 374.238 3.994 0 1 FHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(F)c(F)cc3[nH]2)cs1 587014638 VMMWSFOVDIQTPA-UHFFFAOYSA-N 366.393 3.989 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(N)cccc32)N1 587746383 MUMNEFXEWCEGSY-MLCYQJTMSA-N 361.258 3.894 0 1 FHAF C[C@]1(CC2(C(=O)O)CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611717 SZQOBZNXFZJQSY-OXQOHEQNSA-N 368.385 3.758 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)([C@H](C)CC(=O)O)O2 587384381 LCSJUUBPEUMGHR-MPBGBICISA-N 357.381 3.688 0 1 FHAF CC(C)n1cncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575552 FQOPMRREVMXGAL-FXAWDEMLSA-N 350.374 3.873 0 1 FHAF FC(F)(F)COc1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccn1 587090905 BKGVHEDFQRCPPJ-UHFFFAOYSA-N 362.233 3.980 0 1 FHAF CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587512891 GGARDALRHFEVQQ-OAQYLSRUSA-N 357.450 3.910 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cnc(N2CCCCC2)s1 963629353 BBFFPPOREGSTBH-BFUOFWGJSA-N 373.522 3.774 0 1 FHAF C/C=C(\C)CN1CC[C@]2(CCCN(Cc3cccc(OC)c3OC)C2)C1 11711634 AMOFWXXTBJPKPC-HVRLMCRZSA-N 358.526 3.958 0 1 FHAF CN(C)CCOc1ccc2c(c1C(=O)N(C)C)Nc1ccccc1S2 13650336 MXOOLMGGMRBXFU-UHFFFAOYSA-N 357.479 3.537 0 1 FHAF Cc1ccccc1N=c1[nH]c2ccc(Oc3ncnc4c3cnn4C)cc2[nH]1 1857632144 XQFVRHVXLTULHM-UHFFFAOYSA-N 371.404 3.506 0 1 FHAF O=C1C=C(Cc2ccc(NC(=O)c3ccco3)cc2)/C(=C\Br)O1 1857745562 CQHXPRYMEVNHII-XNTDXEJSSA-N 374.190 3.794 0 1 FHAF Nc1c(CC(=O)O)cc(Br)cc1C(=O)c1ccc(Cl)cc1 28771906 BJHJMEKWXKIIDE-UHFFFAOYSA-N 368.614 3.543 0 1 FHAF C[C@@H]1CCCN(CC[C@@H](C)N(C)S(=O)(=O)c2cccc3ccccc23)C1 3953083 XZYWRBPKJXHPIN-QZTJIDSGSA-N 374.550 3.971 0 1 FHAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214663 KALISVBWZTZWPV-QXCFHYIPSA-N 362.470 3.713 0 1 FHAF CO/C(O)=C1/C(C)=NCC[C@H]1c1ccccc1I 100030454 TUQWSIBHAZDXPG-IVPXEPLCSA-N 357.191 3.655 0 1 FHAF CCCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc(OC)ccc2[C@H]1C 27619005 DNUBBCSVGGVWSS-CQSZACIVSA-N 366.465 3.916 0 1 FHAF C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3O)CCN12 26266069 IIIUIBHHLBCRLX-KWCYVHTRSA-N 356.388 3.546 0 1 FHAF NC(=O)c1cccc(Nc2nccc(Nc3cccc4ncccc34)n2)c1 28950573 MODRKXWTPQZUGE-UHFFFAOYSA-N 356.389 3.611 0 1 FHAF CN1C[C@@H]2CC[C@H]3[C@]2(C1)[C@H](O)C[C@@H]1[C@@]2(C)CC[C@H](N(C)C)CC2=CC[C@]13C 2356731753 XWPOTGXOZVRQJB-IUTCKAHMSA-N 372.597 3.782 0 1 FHAF CCCCN(C(C)=O)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 2356875317 ZOQLMLBRPYFSSC-FQEVSTJZSA-N 360.498 3.834 0 1 FHAF Cc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C(N)=O)cc1 72173571 KPNMSYZVMOMIOY-RMKNXTFCSA-N 359.223 3.508 0 1 FHAF FC(F)(F)c1cc(CNCCCCn2cncn2)cc(C(F)(F)F)c1 73196197 FMCPPTXYUYEANZ-UHFFFAOYSA-N 366.309 3.886 0 1 FHAF COc1cccc(CNC(=O)c2cc3ccc(-c4ccncc4)nc3[nH]2)c1 73168895 KZTNIZPHJSIHOU-UHFFFAOYSA-N 358.401 3.564 0 1 FHAF CCc1ccc([C@H](O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 38307709 OKRLZODNLYGSIE-NRFANRHFSA-N 371.440 3.973 0 1 FHAF COc1cccc(CNC(=O)c2c[nH]c3nc(-c4ccncc4)ccc23)c1 73168904 LKVWXTDYMZEGFK-UHFFFAOYSA-N 358.401 3.564 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cccc(CN3CCCC3)c1)C2 40405259 YCLJOKFUFRTIMH-IBGZPJMESA-N 365.473 3.897 0 1 FHAF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)[C@@H](C)c1ccc(F)cc1Cl 40880653 LGURHLFOVULKNO-ZBEGNZNMSA-N 374.861 3.997 0 1 FHAF COP(=O)(OC)[C@@H](C)OC(=O)COc1ccc(Cl)cc1Cl 90556595 UUHXXNQVWVFJLW-QMMMGPOBSA-N 357.126 3.747 0 1 FHAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@]13CC[C@H](C4=CC(=O)OC4)[C@@](C)(CC[C@@H]21)C3=O 238737834 WLKITKZNBMSWFH-NGNWQXJPSA-N 372.505 3.813 0 1 FHAF C[C@H]1Cc2nc(COc3ccccc3)oc2CN1C(=O)c1ccc(F)cc1 473106902 ZCNPLYKMWYGSNV-AWEZNQCLSA-N 366.392 3.980 0 1 FHAF COc1cc(N)ccc1-c1cc2c(c(O)n1)c(C1CCCCC1)nn2C 473214413 LUKZTTGPUAOCFA-UHFFFAOYSA-N 352.438 3.979 0 1 FHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C[C@]4(C)[C@H]3CC[C@]12C 299810001 BVTWUBQLAWUICA-IBAOCYFBSA-N 374.569 3.944 0 1 FHAF COC(=O)c1cccc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c12 586915268 BWXNCRGNVMBWNP-QVKFZJNVSA-N 364.401 3.566 0 1 FHAF CCc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1CC 587580066 GXNVRYQYZVHZQU-NQIIRXRSSA-N 364.401 3.874 0 1 FHAF O=C1O/C(=C/c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc21 586905875 FQYWYYZGENCNOD-BJMVGYQFSA-N 360.142 3.528 0 1 FHAF CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc21 587503112 CQZPXQBYPSLVMD-OAQYLSRUSA-N 351.377 3.542 0 1 FHAF CN1CCN(c2ccc3nc(Cc4c[nH]c5ccc(F)cc45)[nH]c3c2)CC1 587174006 BMOFMSKTUSMQSM-UHFFFAOYSA-N 363.440 3.526 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587428581 KHGUGHRIDZGKOB-STYXZAMGSA-N 361.438 3.505 0 1 FHAF COC(=O)c1ccc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2n1 587931641 CDDOJPCBTWOOHO-UHFFFAOYSA-N 351.406 3.613 0 1 FHAF CCOC(=O)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587376630 DRPMHOJKSUSMAO-IBGZPJMESA-N 359.809 3.654 0 1 FHAF CCn1ncc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587763330 JHSGMKHCLHEXOT-DYZYQPBXSA-N 366.278 3.911 0 1 FHAF Cc1cncc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c12 587198410 IZRMIQNTVCTPLE-UHFFFAOYSA-N 357.417 3.792 0 1 FHAF Cc1cc(-c2nc3c(=N)[nH]ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145035 RJWXHJHULIUVPW-UHFFFAOYSA-N 362.364 3.850 0 1 FHAF CC1=C(c2ccc3nc([C@@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)NNC(=O)C1 587162594 JPJRNBBFWVKQIR-JKSUJKDBSA-N 362.408 3.729 0 1 FHAF Nc1cc(C(=O)O)cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587250191 XTLFIBRADRJHSR-UHFFFAOYSA-N 372.253 3.559 0 1 FHAF Cc1cccc2nc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)ccc12 963226152 KNKMCQWCCWPPJP-FCHUYYIVSA-N 369.424 3.780 0 1 FHAF O=C(Cc1ccccc1F)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 12574090 BQJPOUCEBYMCNU-SFHVURJKSA-N 360.860 3.802 0 3 FHAF COc1ccc(CN(CCN(C)CCCCCCN)c2ccccn2)cc1 13488710 AYEQNAFPDMJGOZ-UHFFFAOYSA-N 370.541 3.548 0 1 FHAF O=c1ccc2ccc(CN3CCN(c4ccc(Cl)cc4)CC3)cc2o1 13800744 LVOJJZXFKVDALQ-UHFFFAOYSA-N 354.837 3.769 0 1 FHAF Cc1nn(CC(F)(F)F)c2nc3ccccc3c(NCCCN(C)C)c12 169329220 PNUFDTLCCNIYEM-UHFFFAOYSA-N 365.403 3.819 0 1 FHAF Cc1[nH]n(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c(=O)c1Cc1ccccc1 169330065 NFLRWHHKWWPHDS-UHFFFAOYSA-N 372.350 3.960 0 1 FHAF CCOC(=O)c1c(C)n(-c2ccc(Oc3ccccc3)cc2)cc(O)c1=O 1857599057 DROSFELJNWACJT-UHFFFAOYSA-N 365.385 3.821 0 1 FHAF O=C(NCCN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1 604816 PUIYSHDOKUSUEM-UHFFFAOYSA-N 369.440 3.542 0 1 FHAF Cc1ccccc1CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O 9224652 NJWDIOUNLPNVGR-UHFFFAOYSA-N 364.898 3.601 0 3 FHAF Brc1ccccc1CCO[C@H]1CCCC[C@H]1N1CCOCC1 66033212 SUYFDUWRPFXUNN-MSOLQXFVSA-N 368.315 3.652 0 1 FHAF CCCCN1CC2(CCN(CCc3c[nH]c4ccccc34)CC2)OC1=O 28761522 MQXQUZMDJJLHLD-UHFFFAOYSA-N 355.482 3.797 0 1 FHAF COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2Cc2ccccc2Cl)c1 61896726 NHCPBELSZRHGRH-HXUWFJFHSA-N 374.868 3.960 0 3 FHAF CCCCC[C@H](O)[C@H](O)C[C@@H]1OC(=O)c2c(O)ccc(CC=C(C)C)c21 2356509752 ZFTKJAWVCXVCCO-JQHSSLGASA-N 362.466 3.805 0 1 FHAF CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1NC[C@H]1CCCO1 20103852 RMTQCPQEBCTRBY-LLVKDONJSA-N 364.829 3.664 0 3 FHAF COC(=O)c1sc2cc(Nc3nccc4ccccc34)cnc2c1N 66258931 OXVKVVDHTUEEBI-UHFFFAOYSA-N 350.403 3.957 0 1 FHAF CCOC(=O)C[C@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21 66058841 MDPSMJGFMAGIPN-LRIIOLCVSA-N 358.478 3.789 0 1 FHAF COc1cc2c(cc1OC)C(c1cc3ccccc3s1)=NN(C)C(=O)C2 34282375 LTSMOMLGNZXVPA-UHFFFAOYSA-N 366.442 3.685 0 1 FHAF CCNc1c(C(=O)N(CC)CC)c2nnc(C(C)C)n2c2ccccc12 40915360 JZWGBIQGYOLOMZ-UHFFFAOYSA-N 353.470 3.920 0 1 FHAF COc1ccc(NC(=O)N[C@@H]2CCN(c3ccnc4ccccc34)C2)cc1 45188840 HLRRCXVWFXIKTC-MRXNPFEDSA-N 362.433 3.644 0 1 FHAF CC(C)(C)Cc1nc2c(NCC3CC3)ncnc2n1CCN1CCCCC1 82184913 NPZWSFMMAKZITH-UHFFFAOYSA-N 370.545 3.723 0 1 FHAF CCCCCNC(=O)n1ccc(C(=O)Nc2ccc(F)cc2Cl)n1 139640790 XTLNJWGEHVFGCC-UHFFFAOYSA-N 352.797 3.676 0 1 FHAF CCc1nnc(-c2ccc3[nH]cc(-c4cncc(N(C)C)n4)c3c2)s1 222722303 ATOJNTJIPUYZJC-UHFFFAOYSA-N 350.451 3.772 0 1 FHAF O=C1[C@H]2[C@@H]3[C@@H]4[C@H](OCc5ccccc5)[C@H]5[C@H]([C@@H]14)[C@H]2[C@H](OCc1ccccc1)[C@H]35 254156502 QFZSTWQCQZIKSY-IIVZISPISA-N 372.464 3.724 0 1 FHAF CC(=O)O[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@@]2(C)[C@@H](O)C=C1CO 85602938 AOIDBNSVSJUUHH-PXIKZMAHSA-N 362.510 3.770 0 1 FHAF biogenic c1cc2ccc1CNc1cc[n+](cc1)CCCCC[n+]1ccc(cc1)NC2 299830313 YDOCRGSJVXFDDS-UHFFFAOYSA-P 360.505 3.670 0 1 FHAF CCOP(=O)(CC(=O)Nc1cccc(Br)c1)OCC 96907976 BZIYTQZRXYOGOH-UHFFFAOYSA-N 350.149 3.654 0 1 FHAF CC(C)n1nccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582988 SKGYIYHJLFNDFB-FXAWDEMLSA-N 350.374 3.873 0 1 FHAF CC(C)(SCc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)O 586960585 VYMSQINMNSUDHH-UHFFFAOYSA-N 365.199 3.700 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(O)cc3[nH]2)cc1 587041057 UWAAKHAQPOUNMR-KRWDZBQOSA-N 369.446 3.555 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)cc2)N1 587824683 CLEDKXSNJIZNCR-JDNHERCYSA-N 364.214 3.910 0 1 FHAF COC(=O)[C@H](C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350453 KIWPXVIPYFCBGL-ICNNEYJISA-N 372.392 3.848 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCN3Cc4ccccc4N[C@@H]31)CC2=O 587485310 RTRBVYIUGKLUTN-VXKWHMMOSA-N 364.445 3.706 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)ncc2[nH]1)C[C@H]1CCCO1 587197948 YBSYNUBJPVIESF-LLVKDONJSA-N 366.849 3.527 0 1 FHAF O=C(NCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1cscn1 587028813 YPJNFUFRRHYVTG-UHFFFAOYSA-N 364.430 3.528 0 1 FHAF COc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1F 587123512 IXAFOXAILOVHLD-CPFSXVBKSA-N 369.322 3.882 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)nc2)N1 587755458 OMQLMOGQXQLVFN-QGHHPUGFSA-N 364.262 3.673 0 1 FHAF N=c1nc(-c2ccccc2Cl)c(-c2nc3ccnc(Cl)c3[nH]2)c[nH]1 587060649 LGURUUKHRDTMIG-UHFFFAOYSA-N 357.204 3.801 0 1 FHAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C2CC2)n1 587582407 PHRSPBLKDHYCSC-UWJYYQICSA-N 362.385 3.706 0 1 FHAF COc1cc2c(cc1OC)[C@@H](c1ccc3[nH]nc(OC)c3c1)N(C)[C@H](C)C2 962617331 CHHAVZKJTPCLIP-MPBGBICISA-N 367.449 3.555 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1cccnc1C(=O)O 962399004 PGYNQYQFVNSRDY-HXUWFJFHSA-N 367.474 3.502 0 1 FHAF CC(=O)OCCCOc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O 13535958 QOJOAVBAWGWCCH-UHFFFAOYSA-N 368.364 3.872 0 1 FHAF O=C1c2c(O)cccc2Cc2ccc([C@H](Cc3ccccc3)C(=O)O)c(O)c21 13606156 RJUPJWSHXZCUGL-KRWDZBQOSA-N 374.392 3.644 0 1 FHAF CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnnn1C 13650564 LTHUQDDPHCOHLM-UHFFFAOYSA-N 374.485 3.598 0 1 FHAF CNC(=O)c1cc2c(Oc3ccc(C(F)(F)CO)cc3)cncc2s1 13864455 GIXDQSVCWHRYGO-UHFFFAOYSA-N 364.373 3.532 0 1 FHAF CC1(C)C=Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4O)coc23)O1 14637748 FNSFANUGPIQSTR-UHFFFAOYSA-N 352.342 3.761 0 1 FHAF endogenous,in-man CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CCCCC/C=C\Cc2ccccc21 169299301 WLMKUHSUSVRAIJ-MMENNXSTSA-N 372.461 3.633 0 1 FHAF O=C(CN1C(=O)CCSc2ccccc21)Nc1cccc(Cl)c1F 201461865 GMCHOMIOFVCNFF-UHFFFAOYSA-N 364.829 3.947 0 3 FHAF Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 202898790 YLHZKZPXOYZYCO-KRWDZBQOSA-N 350.201 3.715 0 1 FHAF COc1ccccc1S[C@@H]1CC(=O)N1C(=O)N[C@@H](C)c1ccccc1 1857572686 NHIBOTVVFUWMDN-SCLBCKFNSA-N 356.447 3.817 0 1 FHAF CC1=CC[C@@H]2[C@H](C)CC[C@@H]3[C@H](CC(=O)O)[C@H](O)[C@]4(C)CC(=O)[C@@H]1[C@H]4[C@@]32C 2356381078 ZSUVPFNZNXWINV-XQLTVJIKSA-N 360.494 3.682 0 1 FHAF COc1ccc(-n2c(=O)c(-c3cccc(Cl)c3)nc3cncnc32)cc1 4238555 YLEKQTNXBQYGRW-UHFFFAOYSA-N 364.792 3.505 0 1 FHAF CC(C)(C(=O)O)[C@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@]1(C)CC(=O)O)[C@@]1(C)O[C@H]31 104373505 QGTMYAPGXJWNQR-MDJKRYRCSA-N 350.455 3.562 0 1 FHAF in-man CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 101638168 ZCMNJNNUKNOUAH-IQGASKDCSA-N 356.510 3.696 0 1 FHAF CC(C)N(CC[C@]1(c2ccccc2)C(=O)N=CN2CCCC[C@H]21)C(C)C 28265057 CMEFGOJSFPCTKK-RBBKRZOGSA-N 355.526 3.856 0 1 FHAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1F 58568529 WARFECWEDIFRPK-QGZVFWFLSA-N 361.413 3.575 0 1 FHAF COc1ccccc1-c1ccc(C(C)C)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26835344 NYSJCZLVRXRHGX-HZPDHXFCSA-N 357.450 3.744 0 1 FHAF CN(C)CCNC(=O)c1cccc2[nH]c(-c3cccc4ccccc34)nc12 27896314 VQGUDEGNMUFFDX-UHFFFAOYSA-N 358.445 3.675 0 1 FHAF CC1=CCC(=O)CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3C1 2356722100 YBJMYHSWNAFAFV-GNEWFCMESA-N 357.494 3.614 0 1 FHAF COCOc1cccc(CN2CC[C@@]2(C)C(=O)Nc2ccc(C)cc2)c1 61906144 RPWSXYNJZNHKBS-NRFANRHFSA-N 354.450 3.581 0 3 FHAF COc1c(-c2ccncc2)ccc2c(=O)c3c(O)nsc3n(C3CC3)c12 35090211 FFCSMQVWXHDJAA-UHFFFAOYSA-N 365.414 3.722 0 1 FHAF Cc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCCC4)c3)cc12 45338857 PGEHSPSEYJVHIZ-UHFFFAOYSA-N 362.429 3.652 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@@H]2C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O2 40465057 QVNXPVRCJMCIQT-IFJJZZHHSA-N 350.499 3.913 0 1 FHAF Fc1ccc([C@@H](Cc2ccccc2OC(F)(F)F)N2CCNCC2)cc1 49035661 SQSFWPVYWBTHEX-QGZVFWFLSA-N 368.374 3.913 0 1 FHAF in-vivo C[C@@H](CNc1ccnc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1)c1ccccc1 45187554 QULNPHKANJCUEA-ZDUSSCGKSA-N 360.421 3.605 0 1 FHAF CCOC(=O)COc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1 45355364 AAQMRULHDUDGMM-UHFFFAOYSA-N 354.431 3.794 0 1 FHAF COc1cc(C(=O)c2nc(-c3ccc(Cl)cc3)c[nH]2)cc(OC)c1OC 95581627 CWKHXSNPJDVUBV-UHFFFAOYSA-N 372.808 3.987 0 1 FHAF Cc1ccc(NC(=O)[C@@H](NC(=O)c2cc(Cl)ccc2O)C(C)C)cc1 96937719 ASJRQGPBYSYWHD-KRWDZBQOSA-N 360.841 3.747 0 1 FHAF CC1CCC2(CC1)SCC(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2 95561469 ZIISHFFCSFRRRM-UHFFFAOYSA-N 362.539 3.716 0 1 FHAF CC1(C)CCc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2O)CC3=O)O1 59777463 ACVUCXHKACKHFE-INIZCTEOSA-N 356.374 3.614 0 1 FHAF biogenic Cc1oc(=O)n(C(=O)NCCCCc2ccccc2)c1-c1ccccc1 2382218166 FQJWXYMMHTUCKS-UHFFFAOYSA-N 350.418 3.997 0 1 FHAF Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(F)cc3F)c2n1 473149139 HWBYWQNUIXGRLK-UHFFFAOYSA-N 351.360 3.990 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(F)ccc2F)N1 587739049 SNSXPUGJANLJFY-ZIDLFYJRSA-N 357.173 3.885 0 1 FHAF Nc1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1N 586976126 CXPMOYAEJXNDKA-UHFFFAOYSA-N 367.634 3.722 0 1 FHAF CN(C)CCOc1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1 586897318 AEGRAMVIDJTATP-UHFFFAOYSA-N 351.450 3.755 0 1 FHAF CC[C@]1(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)CC(=O)c2ccccc2C1 587961173 QBHMKJUWFKURAJ-OAQYLSRUSA-N 360.417 3.913 0 1 FHAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccn1 586988332 PCGPOLURCUTCPR-UHFFFAOYSA-N 366.376 3.972 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3ccccc3c1C(=O)O)O2 587395320 PQQFSUIXEUTMHM-NRFANRHFSA-N 362.385 3.704 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(OC(F)(F)F)ccc1O)[C@@H](C2)C3=O 587420777 HIOHUGYOYZKLPM-YVEFUNNKSA-N 366.291 3.788 0 1 FHAF C[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335316 HCLWUOGUPNIILQ-QUCCMNQESA-N 350.349 3.596 0 1 FHAF COc1ccc(C[C@H](C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1OC 587927105 RNCSUCWYZWVZRK-JTQLQIEISA-N 358.369 3.764 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3nccn3C)cc1)O2 587391229 QLOFWQOKKBLDOY-LJQANCHMSA-N 363.417 3.596 0 1 FHAF CC1=C(CC(=O)NCCN(C)C)c2cc(F)ccc2/C1=C\c1ccncc1 1772584233 ASKJHMZVSFJEOS-UNOMPAQXSA-N 365.452 3.616 0 1 FHAF CC(C)(C)OC(=O)CC[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 1772612215 ULXGLXJTBZYSRE-GOSISDBHSA-N 364.445 3.967 0 1 FHAF Cn1cc(C2=C(c3ccccc3C(F)(F)F)C(=O)NC2=O)c2ccccc21 13447871 REXQMUUMBIEMKR-UHFFFAOYSA-N 370.330 3.764 0 1 FHAF CCNC(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681859 DGCNLEJTGGXFLE-COCCKNAVSA-N 355.478 3.570 0 1 FHAF Fc1ccccc1Nc1nc2nonc2nc1Nc1cccc(F)c1F 1857555411 SSGRKEZIEOZECC-UHFFFAOYSA-N 358.283 3.917 0 1 FHAF O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccoc1 775016 BOLCNJCOINVUHF-HZPDHXFCSA-N 370.380 3.774 0 1 FHAF CCCCOc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1 1553906 KBPIAEVSGWRJLE-UHFFFAOYSA-N 374.384 3.745 0 1 FHAF O=S(=O)(c1ccccc1)n1c([C@H](O)c2ccccc2)cc2ccccc21 1858559 FNSGKSWTHDNXBI-OAQYLSRUSA-N 363.438 3.960 0 1 FHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N(C)C 4310708 ORYLIFNHKKKWHK-RBUKOAKNSA-N 362.470 3.806 0 1 FHAF CCOC(=O)CNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 100401041 DOHPHECIQVDUEM-WZGNDQMWSA-N 355.478 3.512 0 1 FHAF CCO/C(O)=C1\C(C)=NC(=S)N(C(C)=O)[C@H]1c1ccc(Cl)cc1 8828591 KYUNVQCBPPRQQE-MRPLLJTBSA-N 352.843 3.795 0 1 FHAF C[C@@]12CCCC(COC(=O)c3cccnc3)=C1C(=O)O[C@H]2c1ccoc1 103206785 DGRVLAHIEZRWRC-FXAWDEMLSA-N 353.374 3.616 0 1 FHAF CC[C@H](CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc21 58582707 YTYLSGGBDMTGBB-OAHLLOKOSA-N 356.857 3.930 0 1 FHAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@@H]2CCCC[C@H]12 28524105 TYJSHDWVKFXKBY-VQTJNVASSA-N 351.494 3.643 0 1 FHAF Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CCNCC3)cc1 29126586 RCRKYHCZNIGMKD-UHFFFAOYSA-N 351.400 3.701 0 1 FHAF O=C1Nc2ccccc2C2=N[C@H](CN3CCC4(CCCCC4)CC3)CN12 22940653 IEJBLWPRGYDGLE-MRXNPFEDSA-N 352.482 3.709 0 1 FHAF COc1cccc(O[C@]2(C)CCN(Cc3cccn3-c3nccs3)C2)c1 61925978 KYUSRFKLEQMSEZ-HXUWFJFHSA-N 369.490 3.986 0 3 FHAF O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3c2O)CC1 34600424 NUDOOCWDDHYJIC-UHFFFAOYSA-N 361.445 3.895 0 1 FHAF CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cc(Cl)ccc21 33983323 WMZLCGFJUCZICO-SFHVURJKSA-N 364.832 3.811 0 1 FHAF COc1c2c(cc3oc4ccc(Cl)c(O)c4c(=O)c13)O[C@H]1OCC[C@H]21 13374554 ROKZKWUTWDHMJV-LWESTGQBSA-N 360.749 3.536 0 1 FHAF biogenic Cc1c(O)c(C(=O)CCc2ccccc2)c2c(c1O)[C@@H](O)CC(C)(C)O2 14821425 XEMFSBOBBNFLGA-HNNXBMFYSA-N 356.418 3.816 0 1 FHAF biogenic O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]ccc1=O 1911580471 OSTPOLFOTZATSQ-UHFFFAOYSA-N 350.218 3.665 0 1 FHAF Cn1cccc1-c1c2c(nc3sc(C(N)=O)c(N)c13)CCCCCC2 49070869 UZACPKHFWKSDSU-UHFFFAOYSA-N 354.479 3.642 0 1 FHAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccc(F)cc3)C2)cc1 73297905 NTCYROXBTZYTDM-KRWDZBQOSA-N 353.422 3.915 0 1 FHAF O=C(N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1ccc(F)cc1 199358183 SEKUJOOVYZEKCD-GOSISDBHSA-N 374.843 3.790 0 3 FHAF COc1cc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)OC3)ccc1O 45372986 APEKYLBAVBVINQ-UHFFFAOYSA-N 350.326 3.620 0 1 FHAF CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@](C)([C@H](O)CO)C=C3CC[C@H]12 238746190 RNAJZYMCKHMPRN-JOLMYRCBSA-N 364.526 3.852 0 1 FHAF COC(=O)/C=C(/C)CCC(C)(C)C(=O)[C@H]1Cc2c(C)cccc2C(=O)O1 238784637 UDPOYGABQYSIDP-QAAVPBIRSA-N 358.434 3.571 0 1 FHAF CC/N=c1/c(NC(=O)Nc2cccc(OC)c2)c(O)oc2ccccc12 618018606 INKIOPHMSONFSA-CAPFRKAQSA-N 353.378 3.712 0 1 FHAF CC(C)(C)Oc1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(N)cc1F 587135928 IKVGKPIFFIZLDH-UHFFFAOYSA-N 361.348 3.966 0 1 FHAF CCCn1cnc2cc(-c3nc4cc[nH]c(=N)c4[nH]3)cc(Br)c21 587003384 JAXAPIIHEXTVQM-UHFFFAOYSA-N 371.242 3.560 0 1 FHAF COc1ncc(F)c(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 587861119 NWOFCSJULGXPEZ-UHFFFAOYSA-N 368.290 3.504 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1cc(C)c(O)c(C)c1)O2 587403340 GSUADAIEQVQKRX-NRFANRHFSA-N 369.417 3.625 0 1 FHAF O=C(O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586988629 UBKACNSOXIBBID-UHFFFAOYSA-N 368.348 3.912 0 1 FHAF NC(=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587113699 XGOIWLOLHMMPMW-UHFFFAOYSA-N 356.307 3.896 0 1 FHAF C[C@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)N(C)C 587192654 YJULEPIZGWZIDI-SSDOTTSWSA-N 350.182 3.837 0 1 FHAF CCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587762454 DYQVXJCHJRXSFN-JDNHERCYSA-N 352.251 3.737 0 1 FHAF CCOC(=O)[C@@H](C)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587398330 DYDHZUPPKSALAI-SPLOXXLWSA-N 353.418 3.637 0 1 FHAF COc1cc2c(cc1OC)[C@H]([C@H]1C[C@@H]1C)N(C(=O)c1ccccc1N)CC2 963157385 LELMCEXFWOONMH-PCMMCCAGSA-N 366.461 3.682 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@]12CCOc1ncccc12 962401224 WLXZTBVHOAPHBD-FQEVSTJZSA-N 351.475 3.566 0 1 FHAF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@H]1OCc1ccccc1 5963862 NFLMCGZVUQHVLD-UYAOXDASSA-N 352.386 3.583 0 1 FHAF CC(=O)C[C@@]1(OC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C(=O)Nc2ccccc21 17250220 AYRGLPVOHJUCOU-CEQIKUNHSA-N 355.434 3.595 0 1 FHAF Oc1ccc(-c2nc(-c3ccc(O[C@@H]4CN5CCC4CC5)cc3)no2)cc1 1857599560 XHFSGPSCPWSQFE-LJQANCHMSA-N 363.417 3.582 0 1 FHAF CCOC(=O)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857645093 NMRAZUGLRYTABK-MRXNPFEDSA-N 358.850 3.862 0 1 FHAF O=S(=O)(Nc1cncc(C(F)(F)F)c1)c1ccccc1C(F)(F)F 584597026 SNONARCBEJVSFG-UHFFFAOYSA-N 370.274 3.920 0 1 FHAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H]1CCCC[C@H]1O 775601 XERXPEFZFRHTCL-HUUCEWRRSA-N 372.465 3.681 0 1 FHAF CCCc1cc(Sc2ncccc2C(=O)O)nc(-c2ccccn2)n1 2523507 XTEWGJRUAMGYNN-UHFFFAOYSA-N 352.419 3.736 0 1 FHAF CCCCO[C@@H]1CC[C@](C)([C@H]2COC(C)(C)O2)O[C@H]1CCC(C)=CCO 2356450753 ILAZJBNDAIHSRE-RCLSDMTESA-N 370.530 3.980 0 1 FHAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CN(C)C)C=C3C)[nH]c2n1 2356287108 ZZEVGBPUUUTQJS-YESZJQIVSA-N 356.514 3.925 0 1 FHAF O=C(O)[C@@H]1[C@H]2CN([C@H]3CC[C@@]4(Cc5ccccc5Cc5ccccc54)C3)C[C@H]21 101639426 ASARBMLXIRIMCK-LIGGPVSOSA-N 373.496 3.886 0 1 FHAF Cn1nc(-c2ccc(C(F)(F)F)cc2)n(-c2cc(Cl)ccc2O)c1=O 26737945 RCBGFFVNHMVDQR-UHFFFAOYSA-N 369.730 3.616 0 1 FHAF CCCC1=Nc2ncnn2[C@H](c2cc(OC)ccc2OC)/C1=C(/O)OCC 103539235 FSJRLQXRLHSMDJ-FXBHHXAOSA-N 372.425 3.577 0 1 FHAF Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)c1 100632349 GKAVQMFVPQKDDL-RDTXWAMCSA-N 366.486 3.669 0 1 FHAF CC1=C[C@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356318381 LGUDFBPLFTXUMY-ZCNNSNEGSA-N 354.498 3.960 0 1 FHAF C[C@@]1(C(=O)Nc2ccc(F)cc2F)CCN1C(=O)CCC1CCCC1 61925503 AJIDNBLLXUFLRT-IBGZPJMESA-N 350.409 3.865 0 3 FHAF CNCCn1cc(S(=O)(=O)c2cccc3ccccc23)c2ccccc21 28378165 FNVLESVOMIISIZ-UHFFFAOYSA-N 364.470 3.847 0 1 FHAF CC(C)(O)[C@@H]1CCCN(c2cc(NCc3ccc(Cl)cc3)ncn2)C1 73198244 ZQMCDRFGFVPLBY-OAHLLOKOSA-N 360.889 3.729 0 1 FHAF CC(C)CN(C)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82139286 LMTHSWIJWWQRGS-UHFFFAOYSA-N 356.445 3.611 0 1 FHAF COc1cccc([C@H]2SCC(=O)N2c2ccc3c(C)cc(=O)oc3c2)c1 49694925 OGJWZTPCUFNIBD-HXUWFJFHSA-N 367.426 3.889 0 1 FHAF Nc1ncc(-c2cc([C@@H]3CCOC3)n([C@H]3CCC(F)(F)C3)n2)cc1F 146483408 TXKAZJWITDULGC-PWSUYJOCSA-N 352.360 3.531 0 1 FHAF C[C@@H]1CC=C(c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)CC1 148950881 PQKQEKLALZXTJD-PEBXRYMYSA-N 368.477 3.618 0 1 FHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)[C@H]1C(C)(C)CCC[C@]1(O)CC2 238767216 ZLVNAIYYLQTROQ-FPOVZHCZSA-N 362.466 3.916 0 1 FHAF O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)NC1CCCCC1 95588851 CQEDTVBKKZWBLM-UHFFFAOYSA-N 352.398 3.599 0 1 FHAF C[C@@H](CC(=O)O)NCCOCCN1c2ccccc2C=Cc2ccccc21 96929383 BBYXRTRMHMKFHR-KRWDZBQOSA-N 366.461 3.778 0 1 FHAF CCCNC(=N)Nc1ccc(Cc2ccc(NC(=N)NCCC)cc2)cc1 2382225397 KXFSBPSAIMSRQN-UHFFFAOYSA-N 366.513 3.970 0 1 FHAF CN1CCN(C2=Nc3cc(F)ccc3N(C)c3ccc(Cl)cc32)CC1 473083759 DGBFDSJYMVTWOH-UHFFFAOYSA-N 358.848 3.886 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1CCN(C(=O)OC(C)(C)C)C1)O2 587395849 OTAUHWGCRBDVJG-XCLFUZPHSA-N 360.454 3.558 0 1 FHAF CCCn1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587754984 NLYSSWHUFMHWMM-QLJPJBMISA-N 352.251 3.818 0 1 FHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587926532 ICNHBDDXWCLXQV-ACJLOTCBSA-N 354.410 3.846 0 1 FHAF COc1c(C)cc(O)n1C[C@H](c1cccc(Br)c1)N(C)C 587938872 FATJTWWZNVJXBZ-CQSZACIVSA-N 353.260 3.576 0 1 FHAF COC(=O)c1coc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587827766 KVAVGZUWKADIEB-GLEZIHRCSA-N 368.202 3.591 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C1(C)C)[C@@H](C2)C3=O 587437564 JRKXTYRKJJYPIK-QKKBWIMNSA-N 373.449 3.601 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1nc4ccc(Cl)cc4n1C)[C@@H](C2)C3=O 587424176 XJVCZWRFXQXVOA-SGTLLEGYSA-N 354.793 3.724 0 1 FHAF COc1cc2c3c(c1)OC1(CCN(C4CCC(C)CC4)CC1)[C@@H](C2)C3=O 587435622 HECHLRDKOKCPKU-PVARCSIZSA-N 355.478 3.856 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(O)c1Br)[C@@H](C2)C3=O 587412098 HHXBEINMSPWEAR-APPDUMDISA-N 361.191 3.652 0 1 FHAF CC(=O)Nc1cccc(Cc2nc3ccc(Br)c(O)c3[nH]2)c1 587242882 WYBYLOJXXOLGTA-UHFFFAOYSA-N 360.211 3.580 0 1 FHAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccnc(O)c3[nH]2)c(O)c1 587240410 JSNPKNULNKDMHP-UHFFFAOYSA-N 374.400 3.526 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1nccc(C(F)(F)F)n1)CC2=O 587464677 VUTMXTLNGLORNF-ZDUSSCGKSA-N 352.312 3.860 0 1 FHAF C[C@]1(c2nc3cc(F)c(F)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174786 SJNSCYMRWMUKAN-QGZVFWFLSA-N 350.271 3.748 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3OC(C)(C)O[C@H]32)N1 587837909 LIFRRHVLWLLIRE-CDFSRNEHSA-N 370.262 3.632 0 1 FHAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587069988 NWXNZUIGZIABBZ-JTQLQIEISA-N 369.808 3.924 0 1 FHAF C[C@]1(CCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348554 DIHXWHPEJSCCBE-UYAOXDASSA-N 358.365 3.904 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3cc(Cl)ccc3n1C)O2 587380455 UZBOPECWLBQEBJ-LJQANCHMSA-N 355.825 3.998 0 1 FHAF Cc1cc2c(cc1O)[C@@H](c1cccc3c(F)cccc13)N[C@H](C(=O)O)C2 963494166 XXZZRMWKZNQUCO-AZUAARDMSA-N 351.377 3.681 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cnc3ccccc3c1Cl)NCC2 962933252 TZUPMQBZISAGHC-FQEVSTJZSA-N 365.864 3.825 0 1 FHAF CCCOc1ccc([C@@]2(c3ncco3)NCCc3nc4ccccn4c32)cc1 962988902 YXNNCFYLXQSPNQ-JOCHJYFZSA-N 374.444 3.549 0 1 FHAF CC[C@](C)(OC)[C@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963187043 SEMAQEQBNYJNHF-XEGUGMAKSA-N 365.779 3.814 0 1 FHAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(C13CC4CC(CC(C4)C1)C3)CN2 5856281 BYERQPSECPGQQX-UHFFFAOYSA-N 369.469 3.947 0 1 FHAF COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 12479663 WCJGHTJIHITVFA-PKOBYXMFSA-N 368.477 3.702 0 3 FHAF CN1CC=C(c2c[nH]c3ccc(N4C(=O)c5ccccc5C4=O)cc23)CC1 13731846 WVMXJALMALVULM-UHFFFAOYSA-N 357.413 3.687 0 1 FHAF COc1ccc([C@@H]2COc3c(CC=C(C)C)c(O)cc(O)c3C2=O)c(O)c1 14762883 UWWHTKLNJDNLDI-HNNXBMFYSA-N 370.401 3.680 0 1 FHAF endogenous,in-man Cc1ccc(N2CCN(CCNC(=O)c3ccc4ccccc4c3)CC2)cc1 169335017 NQUXOQOVJODQDM-UHFFFAOYSA-N 373.500 3.700 0 1 FHAF COc1cc2c(cc1OC)-c1cc3cc(OC)c(OC)cc3c[n+]1CCC2 1857557817 NXUDYLIIVCFLEY-UHFFFAOYSA-N 366.437 3.775 0 1 FHAF CCCN=c1nc(O)c(C)c([C@@H](OC)c2c(Cl)cccc2Cl)[nH]1 1857563082 ARPDJDLNDDSNOL-AWEZNQCLSA-N 356.253 3.777 0 1 FHAF F[C@H]1CN(CC2CC2)C[C@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 2356316602 ANLHVKXHTIGBRS-SWLSCSKDSA-N 357.351 3.531 0 1 FHAF C[C@H]1CCC[C@@H](NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@@H]1C 6435598 HJHJWLPOYXGBDT-FRQCXROJSA-N 357.498 3.871 0 1 FHAF CCSC[C@](O)(C(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 28095872 RPAKAZPXHGOPJQ-NSHDSACASA-N 362.200 3.978 0 1 FHAF CCNC(=O)Nc1cc(-c2ccccc2)c(-c2cncc(C(=O)O)c2)cn1 116504073 HGBUEIWFNDRSBG-UHFFFAOYSA-N 362.389 3.650 0 1 FHAF O=C(O[C@@H]1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21 28244624 USQJGTQEUASCDF-MKRMIXIUSA-N 358.441 3.657 0 1 FHAF O=C(c1noc2c1CCCC2)N1CCc2[nH]nc(CC3CCCCC3)c2C1 23153399 AGPROVQIKBYDCD-UHFFFAOYSA-N 368.481 3.598 0 1 FHAF COc1ccc(Oc2c(Br)cnn(-c3ccccc3)c2=O)cc1 66114393 OHBGTBUHLJEXMH-UHFFFAOYSA-N 373.206 3.796 0 1 FHAF C[C@@H]1CN(c2ccccn2)N=C(c2ccc(N)cc2)c2cc3c(cc21)OCO3 28012608 BYZLACHFWASEOJ-CQSZACIVSA-N 372.428 3.769 0 1 FHAF CCCC[C@@H](O)CC=CCCCCCCCCC(=O)OC[C@H](O)CO 2356804583 ZGDOOBRKAZVQOQ-RTBURBONSA-N 358.519 3.501 0 1 FHAF CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@@H](CN3CCOCC3)C=C2C)o1 2356855441 RDMGWOFHZCBLQL-OTWHNJEPSA-N 361.530 3.751 0 1 FHAF COc1ccccc1-c1cnc([C@H](O)c2ccc(CN3CCCC3)cc2)[nH]1 61903884 RFLUXWJTORRQSV-OAQYLSRUSA-N 363.461 3.763 0 3 FHAF COc1cccc(CNC[C@@H](O)Cn2c3c(c4ccccc42)CCCC3)c1 73157242 BIJAMTWYLMOWSE-GOSISDBHSA-N 364.489 3.679 0 1 FHAF CC(C)Oc1ccc(C2=N[C@H](CSc3nc4ncccc4o3)CO2)cc1 95556777 NKKRYBCQFBLYEO-AWEZNQCLSA-N 369.446 3.948 0 1 FHAF Oc1cccc(CCc2nc3c(Br)cnc(Cl)c3[nH]2)c1 586897198 UGTJUBCKNPCZGB-UHFFFAOYSA-N 352.619 3.865 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2CC2CC2)N1 587762104 XERYDOFZAVVGFO-BMLIUANNSA-N 364.262 3.818 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C3CC3)nn2C)N1 587763642 KTHUBSIFEIPLOS-XLFHBGCDSA-N 364.262 3.823 0 1 FHAF COC[C@]1(CC(=O)C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798237 YUZOJZSUJYSROZ-DIFFPNOSSA-N 372.278 3.579 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(S(=O)(=O)CC)c1)CC2=O 587490224 WNIYOBIFOIQCKB-IBGZPJMESA-N 374.458 3.845 0 1 FHAF CCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2ccc([C@@H](C)CC)cc12 587641836 HRQXNEVCDHMMEH-LIRRHRJNSA-N 370.493 3.998 0 1 FHAF CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1Cc1ccccc1 587389680 CEWUFXFDXFMCRB-QFIPXVFZSA-N 362.429 3.618 0 1 FHAF CCOC(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587070931 UKFDODHRLCCSGE-CQSZACIVSA-N 357.841 3.678 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4cccc(F)c4)c1)[C@@H](C2)C3=O 587429446 UASIACDXHAKZLF-OXJNMPFZSA-N 350.349 3.509 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(Cc3ccncc3)CC1)CC2=O 587474549 IFYOVERLQPLPBS-UHFFFAOYSA-N 366.461 3.740 0 1 FHAF C[C@H]1[C@H](C)CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357072 SFHHNQSNBHEICO-QRLFUDLXSA-N 354.377 3.874 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C3CC3)nc2)N1 587775274 QIILXGCVSQACFR-FVMDXXJSSA-N 362.246 3.879 0 1 FHAF CCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587391090 RXCBDGILTGXBJJ-RBZFPXEDSA-N 362.470 3.995 0 1 FHAF O=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)CSCC3)cc1 206041257 LOFPHNPTVBYXBB-UHFFFAOYSA-N 356.422 3.737 0 1 FHAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1c3n(c4ccccc14)CCCCO3)C2 1772599484 FYDJXYVJYSPVHB-GJZGRUSLSA-N 354.450 3.596 0 1 FHAF CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N1CCCCC1 13747389 YZRKCYMOMICZHX-UHFFFAOYSA-N 367.515 3.786 0 1 FHAF CC1=C(C(=O)N2CCCCC2)[C@H](c2cccs2)[C@H]2C(=O)CCCC2=N1 169689375 XWRDGGDAECFWSJ-MOPGFXCFSA-N 356.491 3.942 0 1 FHAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)Nc2ccccc2)C1=O 200051608 IIUMIJPMAPSRBB-LJQANCHMSA-N 351.450 3.698 0 3 FHAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N(C)C 769078 DSADLHQOPNXWKP-HKUYNNGSSA-N 372.852 3.919 0 1 FHAF COC(=O)[C@H]1SC(SC)=NC12c1ccccc1Nc1ccccc12 1658685 HWVFAJWANTUVNW-OAHLLOKOSA-N 356.472 3.995 0 1 FHAF CC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]2C(=O)C[C@H]1C3 2356437068 FSXAFKCSUNTGFS-MYOIUENESA-N 362.510 3.892 0 1 FHAF Cc1ccccc1-c1cc2nc(NCc3cccnc3)n(C)c(=O)c2s1 61928500 BAYKLSHUQLCRMJ-UHFFFAOYSA-N 362.458 3.978 0 3 FHAF CC(C)(C)c1ccc(CN2C(=O)c3ccccc3[C@@]23CC(O)=NC3=O)cc1 27523463 QBQNSAWEEDPKJD-JOCHJYFZSA-N 362.429 3.722 0 1 FHAF CCCCC1=Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2S1(=O)=O 26391374 IIIPSROOHWXBEZ-UHFFFAOYSA-N 365.234 3.775 0 1 FHAF O=C(COCc1ccncc1)N1CCC(c2ccc(F)cc2Cl)CC1 64560076 HPVQGFYVDDQOET-UHFFFAOYSA-N 362.832 3.797 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@@H](CC3CCCCC3)CN1CC2 71331500 CRICLBURZAGDER-YSIASYRMSA-N 359.510 3.954 0 1 FHAF NC(=O)c1ccc(Oc2ccc(-c3cc4ccc(C(N)=O)cc4[nH]3)cc2)cc1 45384615 IPGRSHQETCLGQF-UHFFFAOYSA-N 371.396 3.825 0 1 FHAF Nc1cnc(-c2ccc(C3CCC3)c(OCC3CCOCC3)c2F)cn1 224550062 UZHCHMQFKUDZNJ-UHFFFAOYSA-N 357.429 3.938 0 1 FHAF Cc1noc(C)c1[C@@H]1C[C@@H](c2cccc(-c3cncnc3)c2)N=C(N)S1 220200886 OTJAZSWMNQGVHJ-IRXDYDNUSA-N 365.462 3.982 0 1 FHAF COc1cc2c3c(c1OCC1CC1)-c1cc(N)ccc1C[C@@H]3N(C)CC2 1911575370 YYHSDXRKBYKGQO-SFHVURJKSA-N 350.462 3.818 0 1 FHAF C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 40423575 BETCEOCHSYZOAW-SJLPKXTDSA-N 372.896 3.888 0 1 FHAF Cc1cccc(C)c1-c1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 43078592 GGWZSSQNWPROOB-UHFFFAOYSA-N 353.403 3.803 0 1 FHAF CNCC(C)(C)COc1cccc2ccc(-c3nnc4ccccn34)nc12 96174975 XKKPUVJVSGGFGO-UHFFFAOYSA-N 361.449 3.569 0 1 FHAF CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 96248465 HTMFXDINJCEKDX-RDTXWAMCSA-N 372.900 3.735 0 1 FHAF c1cnc(O[C@@H]2CCN(c3nc4ccccc4[nH]3)C2)c(C2CCOCC2)c1 96168982 CXBCGLYRDBPCSD-MRXNPFEDSA-N 364.449 3.510 0 1 FHAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299873939 AOBKGJUWHPBGOH-ZWQIFLOQSA-N 364.486 3.817 0 1 FHAF O=C(Nc1cc(CF)ccn1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 653741126 BHGNYQXAUNNTRE-HNNXBMFYSA-N 354.385 3.876 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(Br)cc2[nH]1 587041452 FTGHWFAJXNPWMI-LBPRGKRZSA-N 368.300 3.946 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccccn1)[C@@H](C2)C3=O 587427642 JQXGGRABKGEXNI-JTSKRJEESA-N 361.372 3.921 0 1 FHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1-n1cnc(C)c1 587388817 BGDBELSTFZCESP-LJQANCHMSA-N 363.417 3.786 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(N)cc32)N1 587747139 PGAAOABDLBODGU-MGNBDDOMSA-N 361.258 3.894 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2nc[nH]c2c1 587586708 CXDCYIOBGBHSCX-WIYYLYMNSA-N 358.353 3.971 0 1 FHAF COC(=O)c1cc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2cn1 587934393 DJUGTJKXIJLVQG-HXUWFJFHSA-N 373.412 3.933 0 1 FHAF C[C@@]1(Cn2nc(Cl)nc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499014 KGPPPXSHRRHJNL-KRWDZBQOSA-N 366.248 3.888 0 1 FHAF N=c1[nH]c2nc(-c3csc(-c4ccc(Cl)cc4)n3)nc-2c(Cl)[nH]1 587016585 YTZFVSMTKSGVFB-UHFFFAOYSA-N 363.233 3.814 0 1 FHAF CCOC(=O)C[C@@]1(c2cccc(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439792 DGUJFFVCVUZWLG-VGSWGCGISA-N 366.413 3.600 0 1 FHAF COC(=O)CCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595278 QWINSLSSEGKIAR-QFBILLFUSA-N 370.401 3.846 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CCC1)([C@H](C)NC(=O)OC(C)(C)C)O2 587392117 WRSXOBPESYMCAY-ZSEKCTLFSA-N 374.481 3.995 0 1 FHAF O=C1[C@@H](N2CCC[C@@H](c3ccc(O)cc3)CC2)CCN1Cc1ccccc1 1772615146 NCAFFUYLUZFZJF-KNQAVFIVSA-N 364.489 3.763 0 1 FHAF CC(=O)c1ccc(N2CCC(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 1772626997 XSNLIDQXDIQHAS-UHFFFAOYSA-N 351.402 3.717 0 1 FHAF Clc1ccccc1N1CCC(CNC[C@H]2COc3ccccc3O2)CC1 13799892 CSWPZFOPVQMWKT-KRWDZBQOSA-N 372.896 3.986 0 1 FHAF c1ccc2c(c1)c1cc[n+]2CCC[n+]2ccc(c3ccccc32)NCCCN1 13813227 MOSIZFCDSISEBV-UHFFFAOYSA-P 370.500 3.886 0 1 FHAF CCCC(=O)c1nnc2nc(SCc3ccccc3)nn2c1CCC 169347830 JQIVXUNISIFHEY-UHFFFAOYSA-N 355.467 3.747 0 1 FHAF CC=CC(=O)N1CCN(c2nccc(-c3ccc(C(C)(C)C)cc3)n2)CC1 1857620011 VSZQBJFVAVSVMK-UHFFFAOYSA-N 364.493 3.666 0 1 FHAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(S)nc(N)c32)cc1 8492744 PTZVNFGJKXTNCV-CYBMUJFWSA-N 354.435 3.570 0 1 FHAF O=C(O)[C@@H]1[C@H]2CN([C@H]3CC[C@]4(Cc5ccccc5Cc5ccccc54)C3)C[C@H]21 101639432 ASARBMLXIRIMCK-IGGCGLJTSA-N 373.496 3.886 0 1 FHAF O=c1cc(-c2ccccc2Cl)oc2c(-c3cncnc3)c(O)cc(O)c12 25988134 SCYGYAVNWLWEDI-UHFFFAOYSA-N 366.760 3.982 0 1 FHAF CC(=O)N1C[C@H](c2ccc3c(c2)OCO3)C(c2ccc3ccccc3c2)=N1 103167621 OMQGSYNTWXMEDJ-LJQANCHMSA-N 358.397 3.919 0 1 FHAF COc1cccc2c1CC[C@@H]1[C@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117412976 IGHSTADROFWTPQ-OXJNMPFZSA-N 361.445 3.906 0 1 FHAF COC(=O)C[C@@]12CC[C@@H](O1)[C@](C)(CCC[C@@H](C)[C@H](O)CC=C(C)C)OC2 27886433 IKRKGVARPWZVAW-AJGRXUDCSA-N 368.514 3.780 0 1 FHAF COC[C@@H]1CCCN1c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C 28365110 MDLONEDOVFRVIM-SFHVURJKSA-N 367.493 3.865 0 1 FHAF CC(C)NC(=O)[C@@]1(C)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61925683 HFYLXDWNYVCYIZ-GOSISDBHSA-N 364.367 3.986 0 3 FHAF CCS(=O)(=O)c1ccc(OC)c(-c2ccc([C@@H](C)N3CCCC3)[nH]2)c1 28237760 BRDXGAAIKJJGNB-CQSZACIVSA-N 362.495 3.641 0 1 FHAF CN(Cc1ccon1)C(=O)c1cc(-c2cn[nH]c2)nc2ccc(Cl)cc12 20637565 KBLJOLATVCOLKV-UHFFFAOYSA-N 367.796 3.539 0 1 FHAF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC=O)[C@@H]3CCC(C)=C[C@H]32)O1 2356505932 USVQIVNMRHBMAZ-NVLJRBADSA-N 362.558 3.809 0 1 FHAF O=C1NC(=O)/C(=C/c2cccc(OCCc3ccccn3)c2Cl)S1 139507819 ORLCSMJVOBSRLN-UVTDQMKNSA-N 360.822 3.680 0 1 FHAF O=S(=O)(Cc1ccccc1)Cc1nnc(-c2ccccc2Cl)s1 40412002 XIDGWKKDUNPLAE-UHFFFAOYSA-N 364.879 3.974 0 1 FHAF O=C(Nc1ccccc1Cl)[C@H]1CCCN(C(=O)NCc2ccccc2)C1 40011742 AFOPHVMIXFGVAM-INIZCTEOSA-N 371.868 3.900 0 1 FHAF Cc1csc2ncnc(N3CCC(COCC[C@@H]4CCCN4C)CC3)c12 146532037 BQTKYNSJOZETJQ-KRWDZBQOSA-N 374.554 3.717 0 1 FHAF O=S(=O)(Nc1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142911281 SIAORXMCCJMMQI-UHFFFAOYSA-N 369.324 3.556 0 1 FHAF O=C(Nc1ccc(-c2ccccc2)cc1)[C@H](c1ccccc1)S(=O)(=O)O 653704183 IOROZPCFLXREPG-IBGZPJMESA-N 367.426 3.921 0 1 FHAF O=C1C[C@H]2C[C@@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350068 HGMVMHYNRFKRND-PIYQWCLRSA-N 352.361 3.628 0 1 FHAF O=C(O)c1cc(Br)cc2nc(CCc3cccc(O)c3)[nH]c12 586896712 LDTTYXJMJKGOEF-UHFFFAOYSA-N 361.195 3.514 0 1 FHAF COC(C[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21)OC 587789451 CSPSSLSSYKMTIA-PIGZYNQJSA-N 374.294 3.983 0 1 FHAF C[C@]1(CC2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613930 ZNSFBKFMIZDVNL-WIYYLYMNSA-N 354.402 3.929 0 1 FHAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C[C@H]3COCCO3)nc2c1 586911094 VSKYIEVAFOJEGQ-QMMMGPOBSA-N 354.250 3.558 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnccc2N(C)C)N1 587751958 CFJFGQYNNIJFMJ-QGHHPUGFSA-N 364.262 3.673 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccon1 587859505 XCSAFGDRJYZYHU-UHFFFAOYSA-N 352.177 3.932 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(Cl)nc4scc(C)n14)[C@@H](C2)C3=O 587454006 UFTLHGOJPDRAIU-BONVTDFDSA-N 360.822 3.855 0 1 FHAF CC(=O)c1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 587014468 QRAUKQZVXIRKDV-UHFFFAOYSA-N 372.450 3.914 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=COc1cc(O)ccc12 587605851 BEBWBECSBALXSU-SIKLNZKXSA-N 374.348 3.861 0 1 FHAF COC[C@@]1(CC(=O)C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798236 YUZOJZSUJYSROZ-APPDUMDISA-N 372.278 3.579 0 1 FHAF Cn1ncc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 587584226 ZACKCWHTBDTBQF-AVRDEDQJSA-N 372.380 3.982 0 1 FHAF CCOC(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587070823 UKFDODHRLCCSGE-AWEZNQCLSA-N 357.841 3.678 0 1 FHAF COc1ccc(C[C@@H](C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1OC 587927107 RNCSUCWYZWVZRK-SNVBAGLBSA-N 358.369 3.764 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cnn(C)c1)CC2=O 587474437 DZOCYIATSXRTIR-QFIPXVFZSA-N 362.429 3.987 0 1 FHAF COC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587080967 WCMGZIHEOWCUNX-AWEZNQCLSA-N 368.824 3.727 0 1 FHAF CC(=O)C[C@]1(OC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C(=O)Nc2ccccc21 5601582 AYRGLPVOHJUCOU-LUQKVYGDSA-N 355.434 3.595 0 1 FHAF O=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)n1-c1cc(Cl)ccc1O 13558784 KWAGCRWXUQPLSN-UHFFFAOYSA-N 355.703 3.605 0 1 FHAF CC(C)C(=CC(=O)OC[C@H](CO)OC(=O)C=C(C(C)C)C(C)C)C(C)C 13862902 FVPQUMQNPLVYQV-KRWDZBQOSA-N 368.514 3.911 0 1 FHAF COc1ccc(C[C@@H](C)[C@H](C)[C@@H](O)c2ccc3c(c2)OCO3)cc1OC 14646554 NJZFDQRQCKAWQT-HKZYLEAXSA-N 358.434 3.981 0 1 FHAF COc1nc2cccnc2n1[C@H]1C[C@H](Nc2nc3ccccc3s2)C1 169352737 QSZCDYHTHAAFAW-TXEJJXNPSA-N 351.435 3.865 0 1 FHAF O=S1(=O)Nc2c(cc(N3CCCC3)c3cccnc23)-c2ccccc21 205634120 SPLGPUFYRQXUEI-UHFFFAOYSA-N 351.431 3.616 0 1 FHAF COc1cc(OCCN(C)C)ccc1/C=C1/C(=O)Nc2ccc(Cl)cc21 207691041 ROROMKAELHOCFQ-LICLKQGHSA-N 372.852 3.782 0 1 FHAF OC[C@@H](O)CN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1 103301427 AUDMZPOFDFFVCB-VXNXHJTFSA-N 367.533 3.828 0 1 FHAF CCCCC[C@H](O)[C@H]1C(=O)c2c(cc3cc(O)cc(O)c3c2O)C[C@H]1C 28370187 MSQJTIQOPPIFHO-PJQXDXOGSA-N 358.434 3.889 0 1 FHAF CC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]2CC[C@H]1C3 2356635312 WOHNELZOUBHDQW-BQIMLZQESA-N 364.526 3.684 0 1 FHAF NCCCN(CCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 28825811 QYQXVPDXWQLZKQ-UHFFFAOYSA-N 363.505 3.911 0 1 FHAF CSC[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 61923645 ZHVBSQRXPWXELK-IEBWSBKVSA-N 368.502 3.653 0 3 FHAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OS(=O)(=O)O 6067556 KYVPWJSGFKNNLD-OPAYZWDASA-N 370.511 3.786 0 1 FHAF biogenic O=C1NCc2ccccc2C[C@@]12CCN(Cc1c(F)cccc1Cl)C2 71994173 UPSYBBLSOLVCLL-HXUWFJFHSA-N 358.844 3.544 0 1 FHAF CCC(=O)N1c2ccccc2OC[C@@H]2CN(CCc3ccccc3)CC[C@H]21 36190573 XJZCYMONKQXDLC-VQTJNVASSA-N 364.489 3.755 0 1 FHAF COc1ccc(CN2CCC3(CC2)O[C@@H](OC)Cc2sccc23)cc1 40951673 ZMPHVAHCGKMKJY-LJQANCHMSA-N 359.491 3.793 0 1 FHAF CCCCCC(=O)N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199715802 GKMYDBHPYMTZSO-KRWDZBQOSA-N 350.890 3.918 0 3 FHAF CC(=O)N1N=C(c2ccc(C)nc2)O[C@@]1(C)c1cccc(Br)c1 96932233 OQNDCJLMXUOXEY-KRWDZBQOSA-N 374.238 3.566 0 1 FHAF CC(=O)[C@@H]1[C@@H](N2CC2)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254014674 YKAAPHAUSMBTTG-YIMJPLONSA-N 357.538 3.809 0 3 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Br)c(Cl)c2)C[C@H]2CC[C@H]1N2C 261085321 CKYZQAZVIFDTJK-FKGLVLAHSA-N 372.690 3.842 0 1 FHAF CCN(CC)c1c(O)cccc1C[C@H]1OC(=O)c2cc(OC)c(OC)cc21 2382222574 OYBXTRWBURYUBP-QGZVFWFLSA-N 371.433 3.710 0 1 FHAF COC(=O)CCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587807569 LUYILBCVLHFBSF-MFKMUULPSA-N 358.251 3.897 0 1 FHAF Cc1nc(Br)sc1-c1nc2c(Br)ccnc2[nH]1 587010444 AOKIMBITJLWJSJ-UHFFFAOYSA-N 374.061 3.915 0 1 FHAF CCn1nc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583673 WMWMLTXRROFLOV-YLJYHZDGSA-N 350.374 3.620 0 1 FHAF CCC(=O)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587443190 PHDIDFCBQXWPRO-SPLOXXLWSA-N 368.385 3.508 0 1 FHAF Oc1ccc(CN=c2[nH][nH]c(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1 584904956 YRRFETZFOOWFGO-UHFFFAOYSA-N 373.412 3.895 0 1 FHAF in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CCCC[C@H]32)N1 587790084 HAYBRMTXETUZLT-NVGVWMPQSA-N 353.279 3.576 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(O)cc1OC)CC2=O 587479035 LZVWFZRXQBPWIQ-OAQYLSRUSA-N 372.417 3.948 0 1 FHAF CCOC(=O)Cc1ccc2nc(COc3ccc(C)cc3OC)[nH]c2c1 587563278 BDZAVEOPUSQOAK-UHFFFAOYSA-N 354.406 3.565 0 1 FHAF Cc1nn(C)cc1-c1[nH]c2c(C)cc(Cl)cc2c1CN1CCOCC1 587626871 JDAMMUNWWLQNRS-UHFFFAOYSA-N 358.873 3.671 0 1 FHAF COc1ccc(O)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594623 OZGOLSJANQFIAA-GHTZIAJQSA-N 364.353 3.809 0 1 FHAF CCOC(=O)[C@@H]1CCSCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587538119 NPENGHDQPBMFQK-UWJYYQICSA-N 374.502 3.976 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1nc4cc(Cl)ccc4n1C)[C@@H](C2)C3=O 587418510 BSRXJDRNPICAQS-RBZFPXEDSA-N 368.820 3.898 0 1 FHAF NC(=O)c1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587040261 GSERALKCFWFXIE-UHFFFAOYSA-N 371.487 3.719 0 1 FHAF COc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587730715 XSXKHNUEHHDKCH-GLEZIHRCSA-N 369.209 3.755 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cn(-c3ccccc3)nn2)N1 962943850 CYYCEQALKBMGBZ-OYHNWAKOSA-N 357.461 3.936 0 1 FHAF COc1cc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)cc(O)c1OC 963087580 DAUBQWZOFAGRFH-IERDGZPVSA-N 357.425 3.833 0 1 FHAF Cc1cc2c(cc1C)[C@]1(CCS2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962895067 IBHMQZDFEHYASV-FXAWDEMLSA-N 357.450 3.781 0 1 FHAF CS(=O)(=O)c1ccc(-c2c(Cl)ncn2-c2ccc(F)cc2)cc1 13525132 DVQNFVNASDKKFB-UHFFFAOYSA-N 350.802 3.735 0 1 FHAF CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 13607549 AEPVZNANVLFOQO-QGZVFWFLSA-N 369.490 3.605 0 1 FHAF CCCCn1c(Sc2nc3ccccc3s2)nc2c(N)ncnc21 14974451 JWKQWAAEXIOZOY-UHFFFAOYSA-N 356.480 3.970 0 1 FHAF COc1cccc(-n2c(O)cc(NNc3nc4ccccc4s3)c2O)c1 169689406 YGCKXYXUWYXUGS-UHFFFAOYSA-N 368.418 3.946 0 1 FHAF CC(C)N1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H](F)C1 1857551464 VNYMKPMXOYCTFQ-UONOGXRCSA-N 366.786 3.909 0 1 FHAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCC(C)(C)CO 4216538 RNEVKZSLZUEJBL-RBUKOAKNSA-N 360.498 3.835 0 1 FHAF Oc1cc(O)cc(/C=C/c2ccc(O)c(I)c2)c1 27523710 HMQWRPUBFADGIY-OWOJBTEDSA-N 354.143 3.578 0 1 FHAF O=C(O)[C@@H]1[C@H]2CN([C@@H]3CC[C@@]4(Cc5ccccc5Cc5ccccc54)C3)C[C@H]21 101639438 ASARBMLXIRIMCK-CPNMWRESSA-N 373.496 3.886 0 1 FHAF NCCCCc1ccc(CCCCNC(=O)C[C@H](N)c2ccccc2)s1 28652651 QJILEFBSPQXRJH-FQEVSTJZSA-N 373.566 3.559 0 1 FHAF O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](O)c1ccccc1)c1ccccc1 101644905 CAELFFAMXVUOKR-IVAOSVALSA-N 351.446 3.572 0 1 FHAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(F)c1)c1ccccc1 103293897 GLGYXQKGVNWQRZ-KRWDZBQOSA-N 368.297 3.932 0 1 FHAF COc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1CC2 117448995 JOMXVEJVUKFCMM-UTKZUKDTSA-N 361.445 3.906 0 1 FHAF Cc1cc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)no1 23994055 SVWGHMQKZYGAIP-IRXDYDNUSA-N 367.430 3.594 0 1 FHAF Clc1ccc(N2CCN(CCCCCOc3ccccc3)CC2)nn1 66075137 KIPHMZRXHDMLBR-UHFFFAOYSA-N 360.889 3.501 0 1 FHAF COCCn1ncc2c1[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2 28528628 INEQZVGATSEVNJ-HIUFNZKISA-N 352.478 3.805 0 1 FHAF CCCCC[C@@H](O)C=CC=C(CCCCCCCC(=O)O)C[C@H](O)CO 2356746424 VEDXQLNICSIAQV-UXHICEINSA-N 370.530 3.969 0 1 FHAF CCCCN(C)c1c(C)nc2ccc(C(=O)N(C)Cc3ccco3)cn12 61896949 SRQGPFXCEKEHIL-UHFFFAOYSA-N 354.454 3.744 0 3 FHAF NC[C@@H](NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1)c1ccccc1 40895785 XGVJSYKODLTBGE-MRXNPFEDSA-N 362.458 3.721 0 1 FHAF COc1ccc(CN2CCC3(CC2)O[C@H](OC)Cc2sccc23)cc1 40951675 ZMPHVAHCGKMKJY-IBGZPJMESA-N 359.491 3.793 0 1 FHAF CCCCc1nc2c(N)nc3ccc(N)cc3c2n1Cc1ccc(CN)cc1 84596104 FSISVQBFXKLWJW-UHFFFAOYSA-N 374.492 3.599 0 1 FHAF CCN1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1 40937218 HIJRHPJHLUTNER-UHFFFAOYSA-N 363.461 3.557 0 1 FHAF O=c1sn(-c2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccc(F)cc1 84724339 GFUQZQXDEYBRDC-UHFFFAOYSA-N 371.220 3.555 0 1 FHAF O=C(NC1CCN(Cc2ccccc2)CC1)c1coc(-c2cccs2)n1 82086329 JPTIKRYICMZNFV-UHFFFAOYSA-N 367.474 3.798 0 1 FHAF Cc1ccc([C@@H]2SCC(=O)N2c2ccc3c(C)cc(=O)[nH]c3c2)s1 96905442 PMKGQUXFFDZKAI-SFHVURJKSA-N 356.472 3.985 0 1 FHAF CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)[nH]2)cc1 147423407 GACJPDMIZQTOPK-UHFFFAOYSA-N 368.462 3.910 0 1 FHAF Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccccc5)c4)c3c2)cn1 96282989 HCWGKZMWRCORGX-UHFFFAOYSA-N 354.417 3.875 0 1 FHAF CCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2C 587518281 DVZPGNZGFWRNLF-QHCPKHFHSA-N 361.441 3.965 0 1 FHAF CCOC(=O)Cc1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 587780856 KJLZXRRVNOFMCN-TWGQIWQCSA-N 350.418 3.899 0 1 FHAF Oc1nc(O)c2cc3c(nc2n1)[C@@H](c1ccc(C(F)(F)F)cc1)CCC3 587368231 KSYFYMIKBINTFD-GFCCVEGCSA-N 361.323 3.923 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(COc1cccc(C=O)c1)CC2=O 587482579 PEYVLXHESNOKAE-NRFANRHFSA-N 354.402 3.960 0 1 FHAF CCOC(=O)C(C)(C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597236 QFCDSUKDTWXMHR-IERDGZPVSA-N 370.401 3.702 0 1 FHAF Cc1cnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 586998655 NJJNUDLHQVGPJH-IHWYPQMZSA-N 358.195 3.928 0 1 FHAF CCCCC[C@@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439382 AFPPDEBATUCGCR-MRUHUIDDSA-N 360.450 3.961 0 1 FHAF FC(F)(F)COc1cc(-c2nc3ccnc(Br)c3[nH]2)ccn1 587091385 JXJKVIPRUCQASK-UHFFFAOYSA-N 373.132 3.724 0 1 FHAF COC(=O)C(=O)c1c(-c2cn(C)c3ccccc23)[nH]c2cc(F)ccc12 587635433 HWJDWRALQLOIDG-UHFFFAOYSA-N 350.349 3.821 0 1 FHAF COc1cncc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587774031 LAXJONSEIUNIRE-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF CCCn1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587763477 JMKOMDVYIOEBSV-QFYYESIMSA-N 352.251 3.818 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(C[C@@H]4CCCO4)c1C)[C@@H](C2)C3=O 587432628 XPZTXCIOUCRYRH-VPKVUBIPSA-N 367.445 3.781 0 1 FHAF N=c1nc(O)c2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2[nH]1 587069444 AQHQIFATINSCOX-UHFFFAOYSA-N 373.203 3.507 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(C=O)c2)N1 587823605 VHYPCBBKRYBHFR-XYZCENFISA-N 364.214 3.730 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1coc(C)n1 587864183 GIDNIVCAEYKMIR-UHFFFAOYSA-N 365.311 3.953 0 1 FHAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1O 587423192 TWGZURSUYHWBCY-CWTRNNRKSA-N 360.793 3.942 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2c(C(F)(F)F)ccnc2Cl)N1 962898878 GENIYMNGMYGJGC-GWCFXTLKSA-N 374.721 3.581 0 1 FHAF O=C(O)c1coc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962636928 JKKUXVQKQGMHDP-SIKLNZKXSA-N 374.440 3.814 0 1 FHAF Cc1c(-c2ccc(N3CCC[C@@H]3CO)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772609669 ZKOAVOWXDUBAIP-MRXNPFEDSA-N 370.399 3.743 0 1 FHAF COc1ccc([C@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1OC 12153718 AWOGQCSIVCQXBT-REABXYAWSA-N 370.401 3.508 0 1 FHAF endogenous,in-man N[C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CC1 13982540 VCOUEHUEFUDZIS-PMACEKPBSA-N 354.400 3.669 0 1 FHAF in-vivo COc1ccccc1CN[C@@H](c1ccc[nH]1)c1nnc(-c2ccccc2)o1 169307898 BVXAHTRIIXFRHG-IBGZPJMESA-N 360.417 3.953 0 1 FHAF Cc1cnc(CNc2cc(-c3ccccc3)nc(-c3cccnc3)n2)nc1 1503686 NMEUHELRRBWEPG-UHFFFAOYSA-N 354.417 3.916 0 1 FHAF O[C@@H]1CC[C@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNC1CCCCC1 2356287888 RMCDARNYWLHGGW-KCZVDYSFSA-N 370.493 3.715 0 1 FHAF Cc1ccc2nc3c(O)n(CCCN4C[C@H](C)C[C@@H](C)C4)cnc-3c2c1 103591244 SRMBGNDOBPFURM-HZPDHXFCSA-N 352.482 3.918 0 1 FHAF CC(C)C[C@@H](S)C(=O)C[C@@H](Cc1ccc(Br)cc1)C(=O)O 219762927 HSHGOAKGYAGHLY-IUODEOHRSA-N 373.312 3.996 0 1 FHAF COc1cc2c(cc1OC)O[C@@]1(CCO2)Oc2c(ccc3occc23)C1=O 14713721 IRNUVXYYVAFCSJ-FQEVSTJZSA-N 368.341 3.583 0 1 FHAF biogenic CCOC(=O)/C=C/c1cn(-c2ccc(O)cc2)nc1-c1ccc(O)cc1 49802358 KNQVSWIQHJXKCT-LFYBBSHMSA-N 350.374 3.527 0 1 FHAF CC[C@@H](C)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1 42966742 BHAFHAMADYHYPJ-SNVBAGLBSA-N 373.400 3.776 0 1 FHAF in-vivo COC(=O)[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 40447747 AIFCUVNKIXTICB-OSAWRWAZSA-N 359.510 3.709 0 1 FHAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCCN(CCO)C3)cc12 226063291 ZNNREQBGMVPIDK-AWEZNQCLSA-N 369.440 3.549 0 1 FHAF O=C1CCC[C@H]2CC[C@](Cc3ccccc3)(C(=O)OCc3ccccc3)N12 84671243 DHYDOGGNCHCNJT-REWPJTCUSA-N 363.457 3.886 0 1 FHAF O=C(c1ccnc(Cl)c1Cl)N1CCc2c(-c3ccccc3)n[nH]c2C1 226029698 UQHVENMLNXEZOV-UHFFFAOYSA-N 373.243 3.977 0 1 FHAF C[C@@H]1Cc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2CN1 143369339 ATNUFLGRYKJBDV-LLVKDONJSA-N 361.850 3.953 0 1 FHAF O=C1C=Nc2cc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)ccc2C1 96169341 VIJRQUGEKGVSOO-UNMCSNQZSA-N 358.441 3.849 0 1 FHAF NCCCCN(Cc1ccccn1)Cc1nccc2c1[nH]c1ccccc12 145701122 JPODKGBHEFBGOW-UHFFFAOYSA-N 359.477 3.852 0 1 FHAF C[C@]12CC[C@H](O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 256447834 UVVGWNHIKZRQLP-CZFZXOLSSA-N 372.505 3.524 0 1 FHAF COc1cccc(-c2cc(C)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)c1 299820589 GHFBVCJSTSLAMK-SHTZXODSSA-N 355.438 3.764 0 1 FHAF Cc1ccc(Sc2nc3c(N)ncn(CCCNC(C)C)c-3n2)c(C)c1 299869081 TZMCKZZYFVEDSB-UHFFFAOYSA-N 370.526 3.516 0 1 FHAF O=C(O)CCCCOc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12 473108879 PMVWZMGQXASFRL-UHFFFAOYSA-N 370.357 3.505 0 1 FHAF Fc1cc(-c2nc3cc(Br)cnc3[nH]2)cc(N2CCCC2)n1 587177546 MKEONDGWCOWUKQ-UHFFFAOYSA-N 362.206 3.522 0 1 FHAF Oc1ncnc2[nH]c(COc3ccc4ccccc4c3Br)nc12 587002605 XMOXGCTVAQBVGR-UHFFFAOYSA-N 371.194 3.553 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)O2 587401119 SOHINIBKNRNFAU-KUUHDYPXSA-N 372.465 3.558 0 1 FHAF COCc1nnc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)s1 587864970 XDWZBFWPHFHGHE-UHFFFAOYSA-N 370.356 3.565 0 1 FHAF CC(C)(CN1CCCC1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590902 DASXGBZPSZVDIR-RXVVDRJESA-N 367.445 3.844 0 1 FHAF Cc1cc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1Br 586976416 JSNFWEIJSZKWQC-UHFFFAOYSA-N 357.211 3.807 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnn3ccc(Cl)nc13)CC2=O 587462703 RHUYAYYHFKOQPM-HNNXBMFYSA-N 357.797 3.747 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1sc(N(C)C)nc1OC)CC2=O 587493371 GMPFKMPACZCLHM-CQSZACIVSA-N 362.451 3.582 0 1 FHAF CCc1nccn1C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587753051 HLLQPPDJCJRMHH-PIGZYNQJSA-N 366.278 3.797 0 1 FHAF C[C@]1(c2cccnc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568708 ISRPJUNVVYZCSX-OXQOHEQNSA-N 351.333 3.803 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCN1CCCC1)O2 587393166 GKVQFHNMIGHYAH-NRFANRHFSA-N 366.461 3.758 0 1 FHAF COC(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1OC 587095925 ZJVKKBVELNYFIB-UHFFFAOYSA-N 365.311 3.626 0 1 FHAF CCOC(=O)c1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)nc1C 587394057 PYGKWGNWLCWLKA-NRFANRHFSA-N 368.433 3.646 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC(=O)C[C@H]3C2)N1 587817981 OAJQBPRUGNPTGS-BMDWNORCSA-N 352.247 3.707 0 1 FHAF O=C(O)c1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587611105 FJVKEJFKQWQHLG-QAPCUYQASA-N 368.366 3.855 0 1 FHAF Fc1ccc2c(c1)C[C@H]1CCCN1C21CCN(Cc2ccccn2)CC1 963096034 FLBVXXCUGYVZCK-HXUWFJFHSA-N 351.469 3.733 0 1 FHAF COC(=O)C[C@]1(c2ccccc2OC)c2ccc(F)cc2C[C@@H]2CCCN21 963104930 IRMIAJSMPJHPOO-HTAPYJJXSA-N 369.436 3.662 0 1 FHAF CC[C@H](C)[C@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cccc(F)c21 962923561 RFCSVEQMQKTCIX-IBNJYYFUSA-N 357.425 3.723 0 1 FHAF Cc1ccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(-c2cnn(C)c2)c1 963024370 MZITVOUTUABHPT-WNSKOXEYSA-N 372.472 3.538 0 1 FHAF O=Cc1ccc2c(n1)N(C(=O)Nc1cc(Cl)c(Cl)cn1)CCC2 1772577794 XQJLSOONSSDYCX-UHFFFAOYSA-N 351.193 3.581 0 1 FHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CCC3)c2cn1)c1ccccc1 1772658077 QMNBLEZEFXNAEN-GFCCVEGCSA-N 350.426 3.805 0 1 FHAF CC(=O)Nc1cc(=O)n(Cc2ccccc2)c(SCc2ccccc2)n1 169350223 WRXWKGBIXLIKJF-UHFFFAOYSA-N 365.458 3.542 0 1 FHAF Cn1c(=O)ccc2c(NC(=O)N[C@H]3CC[C@@H](c4ccccc4)C3)cccc21 169704908 ADHPABPSTJYXKJ-SJORKVTESA-N 361.445 3.996 0 1 FHAF CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc(C)cc1 7721052 GNFCHMFAHTWCQC-UHFFFAOYSA-N 365.433 3.781 0 1 FHAF COc1ccccc1N1CCN(c2csc3ccccc3c2=O)CC1 8609800 MAJBERQXDHQKOC-UHFFFAOYSA-N 352.459 3.597 0 1 FHAF O=C(CNC(=O)c1ccccc1)Oc1cc(Cl)c(Cl)c(Cl)c1 29209556 XSZSDBYFMKNECF-UHFFFAOYSA-N 358.608 3.982 0 1 FHAF CC(=O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 66251026 MFTIZYIOACEQCN-UHFFFAOYSA-N 370.522 3.862 0 1 FHAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(-c2nccs2)c1 28369054 QTKVACNXVSLSQZ-UHFFFAOYSA-N 367.474 3.666 0 1 FHAF CN1CCN2c3ccc(Cl)cc3C(c3ccccc3Cl)=NC[C@H]2C1 28097310 IRGZDKKZLNATHN-AWEZNQCLSA-N 360.288 3.965 0 1 FHAF CN1CCC[C@H]1CCNCc1coc(-c2ccccc2Br)n1 72101009 NRDCYMYTYXBOHX-AWEZNQCLSA-N 364.287 3.678 0 1 FHAF O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2O)CC1 1911585249 WUPVTYOTBDRSSW-UHFFFAOYSA-N 358.825 3.537 0 1 FHAF Cc1cc(C)c(C2=NO[C@@H](Cn3cnc4c(Cl)ncnc43)C2)c(C)c1 49110196 SEQZTAPOGKQIKO-CYBMUJFWSA-N 355.829 3.598 0 1 FHAF Nc1nc2c(-c3cc(Br)c(-c4ccccc4)[nH]3)nccc2[nH]1 45288073 CRFHIZWBLCEGPA-UHFFFAOYSA-N 354.211 3.965 0 1 FHAF CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)NC2CCCC2)c1 45339476 CNDQSCXSSCTHKH-UHFFFAOYSA-N 366.527 3.899 0 1 FHAF CN1CCN(c2ccc3[nH]c(C(=O)c4ccc5ccccc5c4)nc3c2)CC1 45314893 VQCQZUUOIGMHEA-UHFFFAOYSA-N 370.456 3.699 0 1 FHAF COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1F 96935140 FGPRLVIDOOYSFL-UHFFFAOYSA-N 359.426 3.573 0 1 FHAF C=C(CCCC(C)(C)O)C(=O)CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)OC)OO1 44431429 VQXVFFWQWCQNFB-WRWLIDTKSA-N 370.486 3.512 0 1 FHAF biogenic O=C(c1ccc(O)cc1O)N1CCCc2cc(OC(F)(F)F)ccc21 653685696 DFBBARPBDNOHIG-UHFFFAOYSA-N 353.296 3.589 0 1 FHAF CCN[C@H]1CC[C@@H](Nc2ccnc(O)c2-c2nc3ccccc3[nH]2)CC1 653723504 BXZHAZINZVGACS-OKILXGFUSA-N 351.454 3.663 0 1 FHAF N=c1[nH]c2nc(-c3ccccc3-c3ccc(F)c(F)c3)nc-2c(Cl)[nH]1 587144589 AQWHHTDCNDQIEJ-UHFFFAOYSA-N 357.751 3.983 0 1 FHAF CN(C)C(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021265 HEYPTSUWYPNACA-UHFFFAOYSA-N 362.458 3.979 0 1 FHAF Oc1nc(S)nc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc12 587148334 BIPIJJRYCPKKOA-ZDUSSCGKSA-N 367.409 3.688 0 1 FHAF O=C(CCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CC1 587602606 KDVSDJGPVKUGCZ-IEBWSBKVSA-N 352.386 3.872 0 1 FHAF COCCC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCC1 587594375 HCECRXDEDNZIJW-XLIONFOSSA-N 354.402 3.929 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587229849 CNSZXWOWYRHKKJ-JKSUJKDBSA-N 357.498 3.897 0 1 FHAF Nc1ccc(-c2ccc3nc(Cc4csc5nccn45)[nH]c3c2)cc1N 587039981 ILXPWYIOHYLMQQ-UHFFFAOYSA-N 360.446 3.694 0 1 FHAF CN(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587612201 KYFPXMLGKJKFQD-MAUKXSAKSA-N 368.414 3.618 0 1 FHAF Oc1nc(O)c2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2n1 587123519 DHOUKEUPUKAGEG-UTCJRWHESA-N 354.313 3.546 0 1 FHAF CC[C@]1(c2cncn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587755303 OPZGXNJFMSHXOV-HWPZZCPQSA-N 352.251 3.510 0 1 FHAF COC(=O)c1cc(Cl)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 587126272 WEEUTHCMPMHVJO-UHFFFAOYSA-N 367.739 3.709 0 1 FHAF CC(C)(C)OC(=O)NCCCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874112 UTCDEYUIHCUNLH-UHFFFAOYSA-N 361.373 3.740 0 1 FHAF Cc1nc(O)nc(S)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587530823 FDHKPSNZWFTWFB-IBGZPJMESA-N 356.447 3.539 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2F)N1 587733932 PIDCYMFHIJYTDZ-JDNHERCYSA-N 353.210 3.920 0 1 FHAF Oc1nc2cc3nc(-c4nc(Br)ccc4Cl)[nH]c3cc2[nH]1 587005846 WFPCGRNFCHNGRC-UHFFFAOYSA-N 364.590 3.623 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1sc(=N)[nH]c1C)O2 587414788 VZXAJCJVLSYLBI-HXUWFJFHSA-N 365.458 3.664 0 1 FHAF CCn1nc(C)c(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(=O)OC)c1C 587627277 RJODTYRBRKQPJJ-UHFFFAOYSA-N 373.840 3.986 0 1 FHAF N=c1[nH]c2c(s1)Cc1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586994123 VLPUEAZOZWQOQF-UHFFFAOYSA-N 371.421 3.516 0 1 FHAF C[C@@]1(c2ccc(N)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553393 APUXJNQPTMZCBQ-NQIIRXRSSA-N 365.360 3.991 0 1 FHAF COc1ccc2[nH]cc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2c1 962763285 JYQBSMBDWJUXBB-QZTJIDSGSA-N 374.362 3.912 0 1 FHAF C[C@H]1C[C@@]2(CS1)N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962922354 RGUMTCMKZFZCBN-OPURJYLOSA-N 371.458 3.504 0 1 FHAF COc1ccccc1NC(=O)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 115621354 HRNOJRMDEAFOQH-IBGZPJMESA-N 366.442 3.801 0 1 FHAF CCC[C@@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nncn32)C1 1772650966 MXDIPRBEEOZPFB-CYBMUJFWSA-N 364.474 4.000 0 1 FHAF CC(C)Oc1ccc2c(c1)C=C(C(=O)O)[C@H](c1ccc3c(c1)OCO3)O2 13473429 GRIGMBRNAIDEAD-IBGZPJMESA-N 354.358 3.804 0 1 FHAF COc1cccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)c1 13587994 NHEMVDULLQBHMJ-KSFYIVLOSA-N 352.478 3.594 0 1 FHAF CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 13677472 GPNABXAHBDYHFE-RDJZCZTQSA-N 354.947 3.633 0 1 FHAF COc1cc(-c2c3c(cc4cc(OC)c(O)cc24)C(=O)OC3)ccc1O 14726747 JJVJBPKUTANWEW-UHFFFAOYSA-N 352.342 3.606 0 1 FHAF biogenic,in-vitro COc1ccc2c(n1)c(C(=O)NCC1CC1)cn2Cc1ccc(C)cc1C 169351322 AESBPLTYUIOWIM-UHFFFAOYSA-N 363.461 3.850 0 1 FHAF C[C@H](NC(=O)/C=C/c1cc(F)ccc1F)c1cccc(N2CCOCC2)c1 1486131 OJNDDHFQWXLPIK-PXTSUWAFSA-N 372.415 3.692 0 1 FHAF Cc1cc(=O)oc2cc(OCCSC(=S)N3CCCCC3)ccc12 1857745197 XLGODKFAPAATHI-UHFFFAOYSA-N 363.504 3.984 0 1 FHAF COC(=O)c1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CN)C=C3C)[nH]c2c1 2356286672 LFELCBRJUYDDOA-BBWFWOEESA-N 355.482 3.705 0 1 FHAF CCCc1ccccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1 27179854 PSRCPDFTPXSARE-LJQANCHMSA-N 369.417 3.795 0 1 FHAF CC(C)=CC[C@](C)(O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O 27893477 MAHJYISXLQEIJP-IVPJTFLVSA-N 354.531 3.749 0 1 FHAF CCCCO[C@@H]1CC[C@](C)([C@@H]2COC(C)(C)O2)O[C@@H]1CCC(C)=CCO 2356450754 ILAZJBNDAIHSRE-WERVVEIQSA-N 370.530 3.980 0 1 FHAF COC(=O)C[C@H](C)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@H](O)[C@@]2(C)O 2356553250 SIPUAJNOWFIDSZ-XBWRGPFISA-N 354.531 3.930 0 1 FHAF O=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2cccc(C(F)(F)F)c2)[nH]1 40980224 XJIYQYIDCXKECY-UHFFFAOYSA-N 356.307 3.999 0 1 FHAF CC[C@H](C)NC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1F 82152550 BCWUGXZHZWJZBS-AWEZNQCLSA-N 358.461 3.903 0 1 FHAF CC(C)NC(=O)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 82192348 IKAXIXYOWWFSRS-HNNXBMFYSA-N 351.422 3.582 0 1 FHAF Cc1cc(Nc2nc3c(C(=O)NC(C)(C)C)c[nH]c3nc2Cl)sn1 145202526 ACHNXKUPTZZINC-UHFFFAOYSA-N 364.862 3.648 0 1 FHAF CC[C@H](CO)Nc1nc(NCc2ccc(C)s2)c2ncn(C(C)C)c2n1 95560354 ILDBRYFIDOZLPN-CYBMUJFWSA-N 374.514 3.572 0 1 FHAF CC(C)NC(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 299870153 OHQDRZHZEKGJSZ-CZKWCHMESA-N 369.505 3.958 0 1 FHAF in-vivo C[C@@]12CC3CC(NC(=O)Cn4sc5ccccc5c4=O)(C1)C[C@](C)(C3)C2 299838669 VVPSCYANUUMHDP-DELCKGKKSA-N 370.518 3.928 0 1 FHAF CC(C)OC(=O)c1cc(N2C(=O)C3=C(CCCC3)[S@@]2=O)ccc1Cl 299847988 AKIYRAVGZMIZBG-DEOSSOPVSA-N 367.854 3.744 0 1 FHAF COc1cnccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587555 OJJYULCNNBYEDB-RXVVDRJESA-N 363.369 3.673 0 1 FHAF Cc1c(C)c(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O 587938805 BKLLEHPJQKXIPO-CQSZACIVSA-N 353.260 3.582 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(OC)c1C)[C@@H](C2)C3=O 587441378 FDGFJZZBXVAPAN-YCRPNKLZSA-N 354.402 3.684 0 1 FHAF CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876172 PFVNNZCHQGXGIF-AWEZNQCLSA-N 373.384 3.835 0 1 FHAF O=C(/C=C\c1nc2cc(-n3cccn3)c(F)cc2[nH]1)Nc1ccc(F)cc1 587167331 QILKJZDJQALQLZ-SREVYHEPSA-N 365.343 3.679 0 1 FHAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1CCF 587721098 VPEOGFZHQJDDCY-XXFAHNHDSA-N 370.241 3.686 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2nccc-2c1 587588051 JDVPBXYWBGPISS-FXAWDEMLSA-N 358.353 3.923 0 1 FHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(CC)cc3[nH]2)cc1 587228821 RRJBVYPNOZKLTL-UHFFFAOYSA-N 366.421 3.624 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(N)cccc32)N1 587748400 WTMZXNFKRIRSOG-XTZNXHDOSA-N 361.258 3.894 0 1 FHAF CC[C@H](C)OC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596233 PWHQPNNFDQGJDN-FPSMJMQUSA-N 370.401 3.844 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)[C@@H]3CCC[C@@H]32)N1 587765428 CHEVRKWLFPOBMI-VPSJLMRDSA-N 367.306 3.822 0 1 FHAF C[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](n2cncn2)C1 587516374 CHCTUCYEHSGXNI-YFZFPPMRSA-N 351.450 3.922 0 1 FHAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587168801 MZNZNHPXCSYLFQ-AWEZNQCLSA-N 355.413 3.674 0 1 FHAF CC(C)[C@]1(Cn2cccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587757743 HPUAENRYHYBUBI-SJCJKPOMSA-N 366.278 3.870 0 1 FHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 587783834 AWHNAHJICGMZAE-OLZOCXBDSA-N 372.222 3.664 0 1 FHAF Cc1ncc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587772718 GHZMCAWJHVNKHC-VVVCHXIZSA-N 364.262 3.793 0 1 FHAF CC[C@@]1(c2ccn(C)n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587763613 KNVBNUAQGHEGPI-MGPLVRAMSA-N 352.251 3.510 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(C(F)F)nn(C)c1Cl)[C@@H](C2)C3=O 587423283 TXBLDGBQXRXFJY-RTHLEPHNSA-N 354.740 3.508 0 1 FHAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cccn1 587392623 UHTCGZNWZXFQOK-FQEVSTJZSA-N 363.417 3.537 0 1 FHAF CCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797046 VGFFFOZJPNTSMK-MGPLVRAMSA-N 358.251 3.681 0 1 FHAF Cn1ccc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575225 DSKLDAXCGRLGPG-SIKLNZKXSA-N 361.397 3.924 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cnn2C)N1 587697927 PQDIFAAWRVBVCI-UHLUBPPHSA-N 358.642 3.599 0 1 FHAF CC(C)c1nn(C)c2c1[C@H](c1nc3cc(Cl)c(Cl)cc3[nH]1)NCC2 962919480 PGMKUKYDQNMCMJ-MRXNPFEDSA-N 364.280 3.962 0 1 FHAF COc1ccc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1SC 963039579 YMIPRTWVXVVWMX-ZUOKHONESA-N 354.475 3.560 0 1 FHAF C[C@H]1CCC[C@@H](NC(=S)NC(=O)c2ccccc2Br)[C@@H]1C 5560427 PVQKVWHUKMQJIS-MISXGVKJSA-N 369.328 3.878 0 1 FHAF COc1cc(-c2cncn2-c2ccc(N(C)C)cc2)cc(OC)c1OC 13473119 WTTZZHUPHXQFSG-UHFFFAOYSA-N 353.422 3.631 0 1 FHAF O[C@@]1(c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc2C2=NCCN21 13491093 JOBHARMVZDXCRY-INIZCTEOSA-N 353.636 3.916 0 1 FHAF OCCCNc1cnccc1-c1cncc(Nc2cccc(Cl)c2)n1 13612180 NNXZUOFTJNBGTK-UHFFFAOYSA-N 355.829 3.730 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(C)cc1 169723984 WNSQPPAIAVFJAU-WMZOPIPTSA-N 357.450 3.958 0 1 FHAF COc1ccc2c(c1)O[C@H](COc1ccc(CCC(=O)O)c(F)c1)CC2 1857654371 MXGWGPPTKPNEFE-KRWDZBQOSA-N 360.381 3.624 0 1 FHAF C[C@@H]1CCCC(=O)N1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857757715 YBCNLHCGDVOMHJ-CJNGLKHVSA-N 372.415 3.835 0 1 FHAF O[C@@H]1CCN([C@@H]2CCCC[C@H]2OCCc2c(Cl)cccc2Cl)C1 3981730 AHTASIQFBOOLDV-FSPWUOQZSA-N 358.309 3.930 0 1 FHAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCN(CC)CC 4213552 HFRWBUXBAORBRE-RBUKOAKNSA-N 363.502 3.752 0 1 FHAF Fc1ccc([C@@H]2C[C@@H]3CC[C@H](N3)[C@H]2COc2ccc3c(c2)OCO3)cc1 100801339 HAHQKXHPHSTOFJ-WNHJNPCNSA-N 355.409 3.858 0 1 FHAF O=c1[nH]c2ccccc2nc1/C(I)=C/c1ccccc1 103279356 RFINOCWTUMSGRQ-BENRWUELSA-N 374.181 3.856 0 1 FHAF NC[C@@H]1[C@H](c2ccccc2)[C@@]1(C(=O)N1CCc2ccccc21)c1ccccc1 29046910 ZAKNFBUXJCNYEX-NMVJMZGASA-N 368.480 3.886 0 1 FHAF O=C(O)c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCC2)cc1 27562901 KHZCLAATJOMECZ-UHFFFAOYSA-N 372.852 3.611 0 1 FHAF O=C(Nc1ccccc1)NC1CCN(CCc2c[nH]c3ccccc23)CC1 27995816 HGCMJFYLVUNBAE-UHFFFAOYSA-N 362.477 3.997 0 1 FHAF COc1c(C)c2c(c(O)c1CC=C(C)CCC[C@H](C)C(=O)O)C(=O)OC2 2356719216 QPRODDKTRBCFPV-LBPRGKRZSA-N 362.422 3.759 0 1 FHAF O=C(O)CCC/C=C/c1ccc(C(=O)NN2CCc3ccccc32)cc1 27896637 PZMNEPHATIPQGM-QHHAFSJGSA-N 350.418 3.662 0 1 FHAF O=C(Nc1ccc2ccccc2n1)c1ccc2cc3n(c2c1)CCCNC3=O 73240558 WBSLEWFFUMKPFM-UHFFFAOYSA-N 370.412 3.575 0 1 FHAF O=C(N[C@@H]1CCc2cc(Cl)cc(Cl)c21)[C@@H]1COc2ncsc21 220865895 VTSGEBIIIVYRPF-MWLCHTKSSA-N 355.246 3.730 0 1 FHAF CCCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F 82150664 ZOMINJAYBRCKPD-UHFFFAOYSA-N 356.445 3.803 0 1 FHAF COC(=O)CCSC/C=C(\C)CCn1cc(-c2ccsc2)nn1 84723466 BRYZBLDFVZCKOT-YIXHJXPBSA-N 351.497 3.639 0 1 FHAF COc1ccc2c(c1CCCC(=O)O)O[C@H](c1ccc(O)cc1O)CC2 238754751 MGDHREZDFXVTNH-SFHVURJKSA-N 358.390 3.580 0 1 FHAF COc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)OC(=O)C3 85953953 GMWLGUKPUHJMNT-UHFFFAOYSA-N 364.353 3.714 0 1 FHAF biogenic Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccccc3)c3ccccc32)on1 299861402 LEAMLDCJQKGKPQ-LDADJPATSA-N 359.385 3.552 0 1 FHAF O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 299844809 JKKJNHCDVQUNCY-DKIMLUQUSA-N 351.450 3.879 0 1 FHAF CN(C)C(=O)c1cccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)c2)c1 653845467 PCSNHSCJJFGAOB-UHFFFAOYSA-N 357.417 3.576 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc2ccccn12 587585495 DJRCQFKJSXPOAS-YLJYHZDGSA-N 358.353 3.743 0 1 FHAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)s1 587013989 FTMGDWUYFJWRST-NSHDSACASA-N 358.467 3.794 0 1 FHAF O=C1c2ccccc2-c2cc(-c3cn4cccnc4n3)nc3ccc(O)c1c23 586988827 XHUGSSVFZFBTFF-UHFFFAOYSA-N 364.364 3.862 0 1 FHAF Cc1ccc(-c2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c(C)s2)cc1 587013374 MZIOMHVCQYYNSB-UHFFFAOYSA-N 356.842 3.778 0 1 FHAF CC(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n[nH]1 587596738 RNFSEPZKGFMGRE-XLIONFOSSA-N 350.374 3.942 0 1 FHAF COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587767248 ADKVPPHUUJEVBK-JDNHERCYSA-N 351.219 3.615 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCCC[C@@H]2O 587613293 XZIZWQWDOMPCOI-BBTUJRGHSA-N 354.402 3.808 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(Br)cc1F)O2 587385039 LJFSYTKQVIHPOD-ZDUSSCGKSA-N 351.175 3.580 0 1 FHAF CC(=O)OC[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587791176 IUZXOYRHKIWRLV-BTDLBPIBSA-N 372.278 3.927 0 1 FHAF CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439535 BKPHQFDYYBLFPT-WVBUVRCRSA-N 366.413 3.548 0 1 FHAF COc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1C 586966964 OADFAOWGUIFKAT-UHFFFAOYSA-N 353.407 3.617 0 1 FHAF CC(=O)[C@H]1C(=O)CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100350 HIULHCZTZMRIJL-SFHVURJKSA-N 355.393 3.943 0 1 FHAF O=C(O)Cc1ccc(Cc2nc3ccc(F)c(Br)c3[nH]2)cc1 587960533 DIIYLCOKESJTLX-UHFFFAOYSA-N 363.186 3.682 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC23CCOCC3)N1 587833694 HKUMPDRBZOMOSH-GTNSWQLSSA-N 354.263 3.908 0 1 FHAF CCOc1ccc2nc([C@@H]3c4ccsc4CCN3C(N)=O)ccc2c1 962707985 JDCKATDFCCFTOD-SFHVURJKSA-N 353.447 3.721 0 1 FHAF Cc1ccc(-c2nnn(CCCSc3nc4ccccc4o3)n2)cc1 1772606124 NKIPMQWYCPRCBL-UHFFFAOYSA-N 351.435 3.972 0 1 FHAF COc1cc(-c2ncc(C)c(N[C@@H](CCO)c3ccccc3)n2)ccc1O 1772642237 BPPZAFVNASRRBD-KRWDZBQOSA-N 365.433 3.702 0 1 FHAF Cc1cc(-c2nc3cnccc3n2Cc2ccc(Cl)cc2)cn(C)c1=O 1772625653 DELQXOULZPLZOT-UHFFFAOYSA-N 364.836 3.807 0 1 FHAF CC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2cccc3ccccc23)CC1 13531249 KLVSLQANLOACCJ-GOSISDBHSA-N 374.550 3.971 0 1 FHAF O=C(O)c1ccc(Cc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1 13606163 RTDKVRGMJUYJST-UHFFFAOYSA-N 360.365 3.522 0 1 FHAF CCNC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681862 DGCNLEJTGGXFLE-GAKKHBCFSA-N 355.478 3.570 0 1 FHAF CC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C[C@@H]1C 169292906 LJJAHPHAPWPSHP-ORYQWCPZSA-N 371.502 3.972 0 1 FHAF O=C(NC1CCCCCC1)[C@@H]1c2ccccc2C(=O)N1Cc1ccco1 2467448 ALEMKDRPWWEKGZ-IBGZPJMESA-N 352.434 3.816 0 3 FHAF Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cccnc2c1 1857604840 XPVKQQFUIYGRLM-UHFFFAOYSA-N 371.462 3.728 0 1 FHAF CCOP(=O)(OCC)[C@@H](Nc1ncccn1)c1ccc(OC)cc1 1857652618 HFEXRWHCQBWNSZ-OAHLLOKOSA-N 351.343 3.862 0 1 FHAF Brc1ccccc1CCO[C@H]1CCCC[C@@H]1N1CCOCC1 1483359 SUYFDUWRPFXUNN-ROUUACIJSA-N 368.315 3.652 0 1 FHAF CCCCN1CCC(COC(=O)c2c3n(c4ccccc24)CCO3)CC1 1537635 PDKWAHWPUBNFCD-UHFFFAOYSA-N 356.466 3.703 0 1 FHAF COc1ccc2ncc(Oc3ccc(O[C@H](C)C(=O)O)cc3)nc2c1Cl 29467188 IPPWQRJDSNWWOY-SNVBAGLBSA-N 374.780 3.936 0 1 FHAF O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCCCCCn1ccnc1 26377235 UMMZITGIAQETDK-UHFFFAOYSA-N 374.872 3.581 0 1 FHAF CCCCC[C@](C)(O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 2356550097 OMNFCPCBKCERJP-FKPGQJDZSA-N 368.514 3.865 0 1 FHAF CC(=O)N[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@@H](C)[C@H]2CC[C@@H]34)C1 72108164 MFYNPKUAXIUSHE-IEGXLHPXSA-N 371.521 3.996 0 1 FHAF CO[C@@H]1C[C@@H](C)[C@](C)(CC(=O)c2ccoc2)C2=C1[C@]1(C)C[C@H](C2)OC1=O 1911573653 AIBYLMPTIMIYQX-BQFBFDLDSA-N 358.434 3.936 0 1 FHAF Nc1cccc(NC(=O)c2cc(Sc3ccccn3)c(F)cc2N)c1 45348239 HWRSFSUILBZZTM-UHFFFAOYSA-N 354.410 3.789 0 1 FHAF Cc1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 142076346 YEUDACDOZNWCHD-IBGZPJMESA-N 374.362 3.629 0 1 FHAF C[C@@H]1[C@@H](Cc2ccc3c(c2)OCO3)O[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1C 238750570 LAESRKLDVMTTQV-GOFCXKROSA-N 368.429 3.969 0 1 FHAF Nc1ccc(S(=O)(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)cc1 96935013 SQLOPOLMXNCVFP-UHFFFAOYSA-N 367.352 3.637 0 1 FHAF Cn1cc(-c2cc(CCO)ccc2OCc2ccccc2)c2cc[nH]c2c1=O 146415398 SUFWHYCYTPCUQN-UHFFFAOYSA-N 374.440 3.647 0 1 FHAF Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1CC1CCCCC1 95600955 QVKMBIQHSJOPPO-NRFANRHFSA-N 367.497 3.697 0 3 FHAF O=c1cc(COc2cc(Cl)cc(Cl)c2)[nH]n1Cc1cccc(O)c1 95555076 KHLOMFHXGYXWNU-UHFFFAOYSA-N 365.216 3.816 0 1 FHAF COC(=O)C1=CC=C[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC1=C[C@@H](OC)OC1=O 238769721 HVIZCRZXNRVXKY-ZKSSHKJXSA-N 374.477 3.950 0 1 FHAF O=C(NC[C@H]1CCCC[C@H]1O)c1cccc2[nH]c(-c3cccs3)nc12 299852261 POIZDOFBLLAOJB-IUODEOHRSA-N 355.463 3.572 0 1 FHAF O=C1c2ccccc2C(=O)N1CCCCc1cc2c3c(cccc3n1)CC2 587213587 XTKABWWRQDSBRX-UHFFFAOYSA-N 356.425 3.952 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)o2)N1 587828544 ODUYZFLUCGEZKI-JKYUHCHBSA-N 354.175 3.503 0 1 FHAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n(C)n1 587344605 XFQPVNKONHWKPS-FPOVZHCZSA-N 366.392 3.848 0 1 FHAF CC(C)(C)OC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598565 YDBPVRYHRNQVFB-UTKZUKDTSA-N 370.401 3.844 0 1 FHAF Cc1cc(C)c2[nH]c([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)nc2c1 587203398 PAKNWWXGDVXCTL-MRXNPFEDSA-N 367.405 3.622 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 586891836 QSKQSDACUBCFKZ-ACJLOTCBSA-N 358.463 3.502 0 1 FHAF CC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)COCOC1 587356606 KKYFFCGSKCREES-GHTZIAJQSA-N 372.392 3.660 0 1 FHAF O=C(O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587607945 JELRGJBRBOYZSO-PXNSSMCTSA-N 362.337 3.793 0 1 FHAF C[C@@]1(c2cncc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569866 NAWLVVHWUWRQFD-PXNSSMCTSA-N 351.333 3.803 0 1 FHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(Br)nc2[nH]1 587071258 YFBRICBUQKZOSL-SNVBAGLBSA-N 365.662 3.659 0 1 FHAF CC(C)([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N1CCCCC1 587591192 DWOLMCUEVCWDPA-NQIIRXRSSA-N 367.445 3.987 0 1 FHAF Cc1ccnn1C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587760760 QLEMSEYPKHUKDR-QFYYESIMSA-N 352.251 3.543 0 1 FHAF Oc1nc(O)c2ccc(-c3ccc(OCc4cccc(F)c4)cc3)nc2n1 587368058 HJRSRHVBDKBYDU-UHFFFAOYSA-N 363.348 3.821 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CCN(C)C)(c1ccc(O)cc1)CC2=O 587469297 NAMGVDWUQAHZIE-JOCHJYFZSA-N 369.461 3.863 0 1 FHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 586974508 UYJOGJVDFPWUDW-GOSISDBHSA-N 365.462 3.550 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@]13CCN(C(=O)OC(C)(C)C)C3)O2 587400004 NDJPUMGUNCPZBP-NHCUHLMSSA-N 372.465 3.702 0 1 FHAF O=C(O)C[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347962 BTQJHSJAFLLBKR-LPLGYCIKSA-N 370.376 3.904 0 1 FHAF CCn1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587579665 FKHSKWIMULFLIX-GHTZIAJQSA-N 364.401 3.794 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ncoc1C 587865125 VKXPFTPABMCPMA-UHFFFAOYSA-N 365.311 3.953 0 1 FHAF COc1cccc([C@H](C)Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587930518 JGYNGZYKQBAUET-MRXNPFEDSA-N 365.477 3.750 0 1 FHAF CCOC(=O)c1c(-c2ccccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587649960 NRBWSBNCGMASRP-UHFFFAOYSA-N 361.394 3.554 0 1 FHAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587773907 SCYVQCROANORAM-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cc(F)c2[nH]1 587094342 PYODLDNZGNVXEP-RXMQYKEDSA-N 368.128 3.594 0 1 FHAF COc1ccc(-c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)cc1 587935601 PDAKARXZDDTGBR-UHFFFAOYSA-N 350.403 3.690 0 1 FHAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccnc21 587581817 NBQVDGVYJVPINH-WIYYLYMNSA-N 372.380 3.982 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2F)N1 587724925 AIORQUYJORPDOU-ABKXIKBNSA-N 353.210 3.920 0 1 FHAF COc1ncccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584806 ARAFAVODHKKYPS-LAUBAEHRSA-N 363.369 3.673 0 1 FHAF CCCn1nccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578577 ARUMSJNOEPHEMU-FXAWDEMLSA-N 350.374 3.702 0 1 FHAF CC(C)c1nn(C)c2c1[C@@H](c1ccccc1C(=O)OC(C)(C)C)NCC2 962913014 QIPQEBCMOPLNED-LJQANCHMSA-N 355.482 3.734 0 1 FHAF COc1cccc(CNc2nc(N)c3nc(-c4ccco4)sc3n2)c1 1772600460 MKZQUSYQWOCDQS-UHFFFAOYSA-N 353.407 3.549 0 1 FHAF CCc1cccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1 5067811 BFJYGQFDFKPXTO-UHFFFAOYSA-N 364.445 3.899 0 1 FHAF S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1cccnc1 13734806 WNJGNJZDJJHNOK-UHFFFAOYSA-N 354.523 3.670 0 1 FHAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@H]1c1ccccc1)N1C=CCC1 13756478 CAVWQUMKHKUJAO-WHZJULEDSA-N 364.489 3.696 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)CCCNC4=O)c2nc1NC(C)(C)C 206134400 IMRPDFHFPGNLBK-UHFFFAOYSA-N 363.465 3.820 0 1 FHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C3=CCOCC3)c2cn1)c1ccccc1 205440314 LWZZFSHAAKKQMA-CYBMUJFWSA-N 363.421 3.644 0 1 FHAF CCC(C)(C)n1nnnc1[C@@H](c1cccnc1)N1CCCc2ccccc21 1333233 SJUUMHUCSXKYHI-LJQANCHMSA-N 362.481 3.755 0 3 FHAF COc1ccccc1CN1C[C@@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356360524 HYTBLUFIXTWEPB-DNVCBOLYSA-N 356.397 3.576 0 1 FHAF O=C1[C@H]2C[C@@H](CN2C2CCCC2)Oc2ccccc2N1Cc1ccccc1 2356414944 WBUYBPCSAVRHKX-PZJWPPBQSA-N 362.473 3.998 0 1 FHAF CC=C(C)C(=O)OCC=C(C)C(=O)OCC=Cc1ccc(OC)c(OC)c1 2356458716 RIYSDQALFSNBHQ-UHFFFAOYSA-N 374.433 3.716 0 1 FHAF COC[C@]1(O)C[C@@]23CC[C@@H]4[C@H](C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 2356287800 PZXPTSNNDBIDFH-WRVRNPCMSA-N 350.499 3.560 0 1 FHAF C[C@@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc(Br)cc1 100381557 GHDWIFTUSXQYGK-UGFHNGPFSA-N 352.272 3.721 0 3 FHAF in-vitro CC(C)Cc1ccc([C@H](C)C(=O)CN2C(=O)C[C@H](CC(C)C)C2=O)cc1 102199354 LCEFWIQZFMCGCX-LPHOPBHVSA-N 357.494 3.979 0 1 FHAF COc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)cnc2SC)cc1 28713611 GBLWMSNMHTVBKJ-UHFFFAOYSA-N 374.487 3.673 0 1 FHAF O=c1cc(N2CCOCC2)oc2c(-c3cc4ccccc4[nH]3)csc12 101661836 RUQDLUOKIUTUIP-UHFFFAOYSA-N 352.415 3.839 0 1 FHAF O=C(CS(=O)(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 28874710 SKWQLTIDKRSBES-UHFFFAOYSA-N 350.439 3.862 0 1 FHAF in-vivo Cc1sc(C(=O)NCc2ccccc2OCCO)c2c1[C@H]1[C@@H](C2)C1(C)C 103235012 YWBLDLYIZHCUOL-CRAIPNDOSA-N 371.502 3.653 0 1 FHAF CC1CCN(c2ncc3c(n2)CCN(Cc2cccc(Cl)c2)C3)CC1 21640208 FWISIXYXZSGYFL-UHFFFAOYSA-N 356.901 3.925 0 1 FHAF CN(C)CCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 28565436 RGSXXHQWFVYCES-UHFFFAOYSA-N 353.418 3.886 0 1 FHAF COc1ccc(C=CC(=O)N2CCCC[C@@H]2c2cccnc2)cc1OC 2356687629 VRKHXRURLWDXPX-GOSISDBHSA-N 352.434 3.866 0 1 FHAF O=C1N(CC2CCCCC2)c2ccccc2[C@@]1(O)c1ccc2c(c1)OCO2 71335001 ASNCRDOBAMOBQX-QFIPXVFZSA-N 365.429 3.578 0 1 FHAF Brc1ccc2c(c1)-n1nncc1CN(CC1CCCCC1)C2 199387379 MFRYMPZNXWVPIM-UHFFFAOYSA-N 361.287 3.926 0 3 FHAF O=C(O)C[C@@H](Cc1cccc(F)c1)NC(=O)c1ccc2ccccc2c1 49087630 ZXKHSLXWLSWHDI-LJQANCHMSA-N 351.377 3.795 0 1 FHAF COc1cc(/C=C/c2nnc(-c3cccnc3Cl)o2)cc(OC)c1OC 96284429 RFSVIGDEXZMDPU-VOTSOKGWSA-N 373.796 3.981 0 1 FHAF CCc1cc2c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)n2n1 96933389 RMJIJZTUNKBXMN-UHFFFAOYSA-N 365.220 3.859 0 1 FHAF COc1cc(C(=O)c2nc(-c3ccc(C)cc3)c[nH]2)cc(OC)c1OC 95583777 FWSXBYYGHXMTIG-UHFFFAOYSA-N 352.390 3.642 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CCO)cc2)N1 587829203 WJMMNHRBVATYEA-BBATYDOGSA-N 364.258 3.747 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCCC[C@@H]1Cn1ccnc1)[C@@H](C2)C3=O 587431686 QICRMDJTQLZJSR-KUDFPVQQSA-N 352.434 3.658 0 1 FHAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587596843 WNXWFHKQOZMHQD-UTKZUKDTSA-N 364.353 3.809 0 1 FHAF Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C=O 586987835 SFIGUDXTWALULK-UHFFFAOYSA-N 354.365 3.970 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC23CCOCC3)N1 587833691 HKUMPDRBZOMOSH-APPDUMDISA-N 354.263 3.908 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](c1nc2cnc(Cl)[nH]c-2n1)C1CCCC1 587223430 AZOTZBZDMHRYPM-LLVKDONJSA-N 351.838 3.714 0 1 FHAF CCOC(=O)[C@@H](Cc1ccccc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397804 BAFCOYKPSIABHM-VGSWGCGISA-N 367.445 3.723 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(F)cn1 587655586 NVVWJHHEBYLLAJ-UHFFFAOYSA-N 353.303 3.865 0 1 FHAF O=C1C[C@]2(CCN(Cc3ccccc3)C2=O)Oc2c1ccc1c2CCCC1 587514655 OERQJUSUCZPBKL-QHCPKHFHSA-N 361.441 3.702 0 1 FHAF Sc1nc(S)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2n1 587068173 JYQREUNCMJRNFK-UHFFFAOYSA-N 360.855 3.641 0 1 FHAF C[C@H]1C[C@@]2(CN1C1CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587762870 UXBUDURFBFDPJS-RLFDGXBXSA-N 353.279 3.574 0 1 FHAF CC[C@]1([C@@H](C)CN(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571603 LZTWTODRALAECV-FIKMYACPSA-N 355.434 3.700 0 1 FHAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1cn(C)c2ccccc12 587634903 BSGSWDAMZMNOGZ-UHFFFAOYSA-N 350.349 3.816 0 1 FHAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587950804 CWFNVNGWKFPPNZ-MKBNYLNASA-N 352.456 3.856 0 1 FHAF COc1ccccc1[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587394307 TXAPACCECXUQBW-JOCHJYFZSA-N 360.413 3.890 0 1 FHAF COc1cccc(C[C@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587442247 KMTXDZJMWBHIFP-XMSQKQJNSA-N 350.414 3.843 0 1 FHAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587164379 UIXLKUSLTWKFTD-SFHVURJKSA-N 353.376 3.678 0 1 FHAF CC(=O)N/C(=C\c1ccccc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874190 WPMBCJTWCBVOIS-MFOYZWKCSA-N 363.348 3.612 0 1 FHAF CCOC(=O)[C@@H]1[C@H]2Cc3nc4cccc5c4c(c3[C@H]21)-c1ccccc1C5=O 587107275 RKHRTTWIGNMKRP-VHKYSDTDSA-N 355.393 3.895 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@@H](c2c[nH]c3ccc(O)cc23)N1)C(F)(F)F 962759459 BJMGHEATJBKACM-SJORKVTESA-N 360.335 3.609 0 1 FHAF CC[C@]1(c2c(C)nn(C)c2C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962628890 QSAKPSUSDZBZAX-YEJXKQKISA-N 357.498 3.584 0 1 FHAF Cc1ccccc1[C@@]1(c2ncccc2C)NCCc2c1c(C(C)C)nn2C 962917727 GJKKOLRSWNJPAY-HSZRJFAPSA-N 360.505 3.993 0 1 FHAF Cc1c(O)ccc2c1[C@@H](c1ccc3c(c1)Cc1ccccc1-3)N[C@H](C(=O)O)C2 963507661 IXFUOXZQUISNBI-NZQKXSOJSA-N 371.436 3.960 0 1 FHAF CCOc1cc(Cl)c([C@@H]2NCCc3c2c(C(C)C)nn3C)cc1OC 962915109 FTQPLYUZKYBNCP-IBGZPJMESA-N 363.889 3.839 0 1 FHAF CCOC1=C(C)[C@@]2(CC1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962676529 ZNOZXDAPQMJOMO-VXKWHMMOSA-N 366.461 3.633 0 1 FHAF CCOc1cc(Cl)ccc1-c1c(-c2cc(C(=O)O)ccn2)ncn1C 225940551 LPZRXVYRMUKTQA-UHFFFAOYSA-N 357.797 3.899 0 1 FHAF CC(C)n1ncc2c(C(=O)Nc3ncccn3)cc(-c3ccsc3)nc21 1772623571 HHTGIZHFSOLLPE-UHFFFAOYSA-N 364.434 3.783 0 1 FHAF C[C@@H]1CN(C(=O)c2cccc(F)c2)Cc2cc(COc3ccccc3)nn21 168078768 ODYPDGIAGVNBAM-OAHLLOKOSA-N 365.408 3.818 0 1 FHAF COc1ccc(-c2cn(C)nc2-c2cc(OC)c(OC)c(OC)c2)cc1F 1857651722 SVYIDRPXLPWOKI-UHFFFAOYSA-N 372.396 3.928 0 1 FHAF C[C@H](C(=O)O)[C@]1(CCc2ccoc2)O[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C 2356411128 ILDYTTOXFAJMBX-FAIMWSGPSA-N 350.455 3.853 0 1 FHAF COC(=O)c1cc2c(OC[C@H](N)Cc3ccccc3)ccc(Cl)c2n1C 103224934 GKBUCPRUVSPYJK-CQSZACIVSA-N 372.852 3.567 0 1 FHAF COC(=O)[C@H](CCO)CC[C@@H]1C(C)=C[C@H](O)[C@H]2C(C)(C)CCC[C@@]12C 2356463272 VTXPISKEMQUXGD-UONLAYADSA-N 352.515 3.708 0 1 FHAF CC(=CCCc1ccoc1)C[C@H](O)C[C@@H](C)CCCC1=C[C@@H](O)OC1=O 2356737602 HKZBWXTURDYJCE-VDGAXYAQSA-N 362.466 3.908 0 1 FHAF COC(=O)c1c(N)nnc2c(C)c(C)c(O)c(Sc3cccc(F)c3)c12 34816852 OHHXBRCVAGDPGS-UHFFFAOYSA-N 373.409 3.611 0 1 FHAF CN1[C@H]2CC[C@@H]1Cc1c2c2cc(S(=O)(=O)c3ccccc3)ccc2n1C 73199709 IFBOMCGSZBBKMP-KUHUBIRLSA-N 366.486 3.703 0 1 FHAF CC[C@@H](C)CN1CCN(c2cc(NC(=O)c3cccs3)ccn2)[C@H](C)C1 45227037 SHPAVHNYNUXNEN-HZPDHXFCSA-N 372.538 3.952 0 1 FHAF Nc1c(C(=O)c2ccc(F)cc2F)cc[n+]([O-])c1-c1ccc(Cl)cc1 43012399 SBOOAVNVNJTIPI-UHFFFAOYSA-N 360.747 3.732 0 1 FHAF O=C1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc21 40430527 ZUPQXCYYZZEEDB-UHFFFAOYSA-N 355.699 3.968 0 1 FHAF Oc1cccc(-c2nc(C3=CCOCC3)c3cnn(-c4ccccc4)c3n2)c1 45372549 HOKDCTJUGJPQRV-UHFFFAOYSA-N 370.412 3.992 0 1 FHAF CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc(Cl)c2oc(N)nc2c1 96934818 MWRBYTBKNVATAC-MRXNPFEDSA-N 354.797 3.761 0 1 FHAF CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1(O)CCCC1 146478929 FCAVUNZBVDKLMV-UHFFFAOYSA-N 354.376 3.889 0 1 FHAF Nc1nccn2c(C3CCC3)nc(-c3ccc(C(=O)c4ccccc4)nc3)c12 96168114 APOKKTYEMFXRPK-UHFFFAOYSA-N 369.428 3.872 0 1 FHAF COC(=O)c1occc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587826954 HGARZABJUYPNEV-CLAHSXSESA-N 368.202 3.591 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)cnn2C)N1 587700073 UKCKXECIZLLZFP-VXJOIVPMSA-N 372.669 3.773 0 1 FHAF N=c1[nH]ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587148459 ALRJSXIWMJAXAH-QGZVFWFLSA-N 352.344 3.817 0 1 FHAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(Br)c(O)c2[nH]1 587162472 CSESKNXJYJCAFO-AWEZNQCLSA-N 364.218 3.821 0 1 FHAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(F)cnc2[nH]1 587198607 NINCKFARMWLEQF-UHFFFAOYSA-N 361.380 3.623 0 1 FHAF Cc1ccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c(C)c1 587649962 FOIZYEFKICUVIH-UHFFFAOYSA-N 356.447 3.749 0 1 FHAF O=C(O)[C@@H]1CCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587613346 YTKLKFCFVJQGIA-PJUBBZNESA-N 368.385 3.758 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4OC)no1)[C@@H](C2)C3=O 587438708 QAQZUXONZAEBDF-LHSJRXKWSA-N 363.369 3.848 0 1 FHAF Cc1ccc2c3c(cc(CN4CCN(C)CC4)nc13)-c1ccccc1C2=O 587098827 WOSLEJYBKWVVPA-UHFFFAOYSA-N 357.457 3.502 0 1 FHAF O=C1C[C@](c2ccc(F)cc2)(c2cnn[nH]2)Oc2c1ccc1c2CCCC1 587502012 BICNLOBPVBJXEG-NRFANRHFSA-N 363.392 3.732 0 1 FHAF Cc1cnc2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc2c1 587258341 HQRXCPZMUZGWEU-KRWDZBQOSA-N 359.433 3.838 0 1 FHAF Cc1cc2c(cc1O)[C@@](C)(CC(C)(C)Nc1ccccc1)N[C@H](C(=O)O)C2 963505540 BUALFTCQJQCBCF-PGRDOPGGSA-N 368.477 3.796 0 1 FHAF Cc1ccc(F)cc1[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21 962925485 VCSPJOMPWXPYGN-YOEHRIQHSA-N 371.305 3.678 0 1 FHAF Cc1c(-c2ccccc2)n(C)c(=O)n1C1CCN(Cc2ccccc2)CC1 592273 BXEHOLVBINGZIE-UHFFFAOYSA-N 361.489 3.999 0 1 FHAF Cc1c(S(=O)(=O)NCc2ccc(C(F)(F)F)cc2)[nH]c2ccccc12 203662738 SLSANOOVTFWSMM-UHFFFAOYSA-N 368.380 3.974 0 1 FHAF COc1ccc(CN2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)cc1 12057114 ZWHAJUNFRJOXEW-NRFANRHFSA-N 361.432 3.791 0 3 FHAF COc1ccc(F)cc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579672 HNZMMMMXRKTIMB-KRWDZBQOSA-N 365.832 3.768 0 1 FHAF O=C(Cc1ccccc1)N[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 13586751 HIRYXRSGVDWVGH-MRXNPFEDSA-N 363.288 3.927 0 1 FHAF CCC/C=C1/CCCO[C@](C(=O)NCc2ccccn2)(C(F)(F)F)C1 13828973 XGVLUVVVGNZGRE-UBWHZCOUSA-N 356.388 3.926 0 3 FHAF COc1ccc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@@H]2C)cc1OC 15217740 JRYJEMVPVZEOPW-QONXFYDISA-N 356.418 3.955 0 1 FHAF endogenous,in-man CS(=O)(=O)c1n[nH]c(-c2cccc(-c3ccc(C(F)(F)F)cc3)c2)n1 1857637712 IGAYNTGINHKHGB-UHFFFAOYSA-N 367.352 3.561 0 1 FHAF Cc1cc(Cn2c(N3CCNCC3)nc3ccc(Cl)cc32)cc(C)c1F 1857643004 HQRYJQRNCCMWFK-UHFFFAOYSA-N 372.875 3.904 0 1 FHAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)OC 2356306634 OSDWCUBYCGMKAM-QYZOEREBSA-N 366.498 3.772 0 1 FHAF Cc1ccccc1S(=O)(=O)c1ccc2c(c1)c1c(n2C)C[C@H]2CC[C@H]1N2 100632455 QHSDKVDOUICUFL-RHSMWYFYSA-N 366.486 3.669 0 1 FHAF CN(N)c1nc(N)nc2ccc(Sc3cccc(C(F)(F)F)c3)cc12 26264723 GLGLBKUEGMZSBJ-UHFFFAOYSA-N 365.384 3.692 0 1 FHAF CN(C)CCc1cn(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 28883985 IHKBLWSLQOSEAB-UHFFFAOYSA-N 362.882 3.636 0 1 FHAF COc1cccc(N2CCN(c3[nH]cnc4c5ccccc5nc3-4)C[C@H]2C)c1 101622507 FWTKCGPBIORMCU-OAHLLOKOSA-N 373.460 3.786 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccc(OC)cc1 101627204 RYJXPKMNUKSJHU-BDBAMQCISA-N 359.422 3.897 0 1 FHAF CN1CCN(C[C@@H](c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1 22442363 LGRZVDOIDOOMRO-SFHVURJKSA-N 370.459 3.732 0 1 FHAF in-vitro CC[C@H]1CN(c2nccc(-c3c(C)nn(-c4ccccc4)c3C)n2)CCO1 20869651 CKBOMIMRLRJIPM-SFHVURJKSA-N 363.465 3.561 0 1 FHAF CCOC(=O)c1ccc(-c2cn(-c3ccccc3)c3ncnc(N)c23)cc1 28015993 KPNHRZBBKFZVMF-UHFFFAOYSA-N 358.401 3.846 0 1 FHAF CCCCNCCC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 28219498 NEGGICJXOMZDMJ-HXUWFJFHSA-N 365.521 3.982 0 1 FHAF COc1c2c(c3ccoc3c1OC)O[C@H](c1ccccc1)[C@H](OC)C2=O 13480685 RQFGLCAICBCPKW-DNVCBOLYSA-N 354.358 3.781 0 1 FHAF biogenic Clc1cccc(-n2cc(-c3ccccc3NCc3c[nH]cn3)nn2)c1 40872333 GGOCVZPECZJMOG-UHFFFAOYSA-N 350.813 3.923 0 1 FHAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(C(C)C)c(=O)c12 88345768 NCOOLRRVEOHXRV-ZDUSSCGKSA-N 362.437 3.730 0 1 FHAF O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1CCOc2ncccc21 146647572 HGNBWCAZZAKLSS-OAHLLOKOSA-N 351.233 3.961 0 1 FHAF CN=c1scc(-c2ccccc2Br)n1N/C=C1/C=CC=N1 263591959 NCXYJUOLBSUGJY-YFUHEAKRSA-N 361.268 3.535 0 3 FHAF Cc1n[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587802116 JZCVCOKEGQPPFF-PWJLMRLQSA-N 352.251 3.726 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C(=O)O)N1 587825686 HWWSCECJXDTQCF-FVMDXXJSSA-N 364.214 3.910 0 1 FHAF COc1cc(C)c(O)n1C[C@@H](c1cccc(Br)c1)N(C)C 587941235 SYRLVFVZDKEYDY-AWEZNQCLSA-N 353.260 3.576 0 1 FHAF COC1=C(C)OC=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587829914 CYEYODFAEAYNSV-JDNHERCYSA-N 354.219 3.740 0 1 FHAF Cc1nn(C)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343011 QWGXYOUFPUEWPD-CTNGQTDRSA-N 366.392 3.848 0 1 FHAF CC1(C)C(=O)Nc2ccc(-c3nc4cccc5c4c(c3CC(=O)O)CC5)cc21 587213418 ZTPUTJDBGPNGAS-UHFFFAOYSA-N 372.424 3.857 0 1 FHAF CCOc1ccc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652483 SKNOIXLOCXKNPS-LBPRGKRZSA-N 372.808 3.556 0 1 FHAF Cn1cc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2n1 587583756 XNPMVVDTXWFUMH-SIKLNZKXSA-N 372.380 3.982 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(NC(C)=O)nc1C)CC2=O 587493403 GUQJZTZMKONHOM-LJQANCHMSA-N 374.462 3.949 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c3c(c1)CCO3)O2 587372731 RBPLUOKNJMYRCQ-INIZCTEOSA-N 374.234 3.981 0 1 FHAF CCCn1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587761394 BAGJHCQEBUGQLZ-PIGZYNQJSA-N 366.278 3.992 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4cccn4)c(F)c1)[C@@H](C2)C3=O 587425283 BDDRAOYXHQELGS-BTYIYWSLSA-N 364.376 3.683 0 1 FHAF COC(=O)C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350404 KGTVAUMRQJYTJS-PZJWPPBQSA-N 370.376 3.602 0 1 FHAF COc1cc2c(cc1OC)[C@](CCCO)(c1ccc(F)cc1)N(C)[C@H](C)C2 962620392 GNQNYWZKJNFRHH-QRQCRPRQSA-N 373.468 3.735 0 1 FHAF CCCOc1ncccc1[C@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962639247 VPXFPOVPBXDBQN-LIRRHRJNSA-N 356.466 3.853 0 1 FHAF O=C1CCC/C=C/C[C@H]2C(=O)C[C@@H](O)[C@H]2/C=C/[C@@H](CCc2ccccc2)O1 169290113 WWHYWVRAJPRWHZ-YMAGBHHISA-N 368.473 3.784 0 1 FHAF O=C(c1ccc(-n2c(O)c3c(c2O)CC(Cl)=CC3)cc1)N1CCCCC1 169691869 YXWOUCUSYDSLQU-UHFFFAOYSA-N 372.852 3.736 0 1 FHAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCn1ccc2ccccc21 2356436616 SSKWKXBFZCRUBK-TZIWHRDSSA-N 353.510 3.754 0 1 FHAF O=C(Nc1ccc(Cl)cn1)N[C@H]1C[C@@H]1c1c(F)ccc(O)c1Cl 6536594 NTNATEYJPONKDY-WPRPVWTQSA-N 356.184 3.911 0 1 FHAF COC[C@]1(O)C[C@@]23CC[C@@H]4[C@H](C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 2356287801 PZXPTSNNDBIDFH-ZPRQWLIFSA-N 350.499 3.560 0 1 FHAF COc1ccc(Cn2cnc3c(-c4ccco4)nc(SC)nc32)cc1 28877752 GYABNQSNEUBFLK-UHFFFAOYSA-N 352.419 3.865 0 1 FHAF COC(=O)CCCCCc1cc(OC)c(C=C(C)[N+](=O)[O-])cc1OC 3851664 NXRHNVJKUHSPDZ-UHFFFAOYSA-N 351.399 3.617 0 1 FHAF biogenic COc1ccc(/C=C2\CO[C@H](c3cc(OC)cc(OC)c3)[C@H]2C(=O)O)cc1 49070774 SUVKPLCUUSSDHW-WFBUVSJJSA-N 370.401 3.568 0 1 FHAF O=C(c1cccs1)c1nc2cc(Cl)ccc2[n+]([O-])c1C(F)(F)F 49114007 DWVYQZGSKPJCIK-UHFFFAOYSA-N 358.728 3.833 0 1 FHAF COc1c(O)cc2oc(-c3cccc(Br)c3)cc(=O)c2c1O 84602564 MHDZAPHIOGYUOZ-UHFFFAOYSA-N 363.163 3.642 0 1 FHAF COc1cc(OC)c(N2C(=O)c3cccc4cccc(c34)C2=O)c(OC)c1 98085740 NNQHHNOTLPZPFV-UHFFFAOYSA-N 363.369 3.666 0 1 FHAF Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC(C)C)cn1 141281295 SMSDGZOOYOAPBR-UHFFFAOYSA-N 369.396 3.901 0 1 FHAF Fc1ncc(Br)cc1-c1nc2cc(Br)cnc2[nH]1 587178090 PLUSFXRWGPSCJI-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF Cc1cnn(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587760936 RHBSOTAYVJQGOK-BZNIZROVSA-N 352.251 3.543 0 1 FHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587599518 GJBRATGMORZBSJ-WIYYLYMNSA-N 364.353 3.809 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(O)cc12 587606710 FKSRDYSXSIWBBW-KNQAVFIVSA-N 360.365 3.901 0 1 FHAF CCn1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587764178 OQRGSYPFUTWTEW-XXFAHNHDSA-N 352.251 3.737 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)c(Cl)c2)N1 587693733 FFZOWPFSNWCKCZ-NXSYQRQQSA-N 371.637 3.966 0 1 FHAF COc1ccc(Oc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587560872 HXVHTNQGMIOPJM-UHFFFAOYSA-N 361.357 3.904 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)C[C@H]2C)N1 587825775 IJKSYSPTEDMWON-WTHXXZKASA-N 370.262 3.839 0 1 FHAF C[C@@]1(c2cncnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346887 NWVIUQIWZFPJHT-QUCCMNQESA-N 350.349 3.596 0 1 FHAF CCOC(=O)C1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587797048 LOQDDCLKTSMLBR-HWPZZCPQSA-N 370.262 3.681 0 1 FHAF CCSC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614670 UIORYTARVSUDBI-APWZRJJASA-N 358.415 3.782 0 1 FHAF Cc1cccc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591437 CLLVLGXJJADGCG-VGOFRKELSA-N 373.364 3.510 0 1 FHAF CCCCOc1cc2nc([C@H](O)C(C)(C)CO)[nH]c2cc1Br 586904298 SUJFPYBIWWKMSC-AWEZNQCLSA-N 371.275 3.556 0 1 FHAF Sc1nc(S)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2n1 587087592 LXVHURLGIZHEST-UHFFFAOYSA-N 372.866 3.708 0 1 FHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 587788076 ZYHYGEAJVPDDHV-OLZOCXBDSA-N 361.323 3.920 0 1 FHAF Cn1cc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2n1 587582824 RHNZKAFNHMXNGA-AVRDEDQJSA-N 372.380 3.982 0 1 FHAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccccn1)[C@@H](C2)C3=O 587436646 SRTPNAWHVYOBLT-FDDCHVKYSA-N 357.409 3.976 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 586915721 HAOXUJCTCMCNDR-ADLMAVQZSA-N 359.788 3.967 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]31CC[C@H]2SCCS[C@H]21 963061945 ZQPYXHOFPHHLLU-LZQZEXGQSA-N 358.532 3.595 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](n1ccnc1)C2=O 5543057 YDDFIFPOTRPTLE-XIKBUJSXSA-N 354.494 3.927 0 1 FHAF CCOC(=O)COc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3 13215648 DSKBZKUYAJMOEW-UHFFFAOYSA-N 369.348 3.712 0 1 FHAF COc1ccc(-c2c3c(cc4cc5c(cc24)OCO5)COC3=O)cc1OC 14726768 PJLRAQVYTOCNHT-UHFFFAOYSA-N 364.353 3.923 0 1 FHAF biogenic,in-vitro COc1cccc(C2=N[C@@](C)(CC(=O)Nc3cccc(Cl)c3)ON2C)c1 205212729 QYIQXAMVLAQDBN-LJQANCHMSA-N 373.840 3.717 0 3 FHAF Cc1cc(N(C)C)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1 1857768423 FUQSQDBXMDCQRV-UHFFFAOYSA-N 361.449 3.525 0 1 FHAF COc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 35858721 RYOOGRGXRNFQLG-UHFFFAOYSA-N 364.430 3.876 0 1 FHAF CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O 1491369 CVIBDXQYFNZNMA-GDBMZVCRSA-N 368.485 3.591 0 1 FHAF CC=C1[C@@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356366577 LWZNDYKDUGVSBN-QHBPWWHKSA-N 359.554 3.767 0 1 FHAF CCOc1ccc(Nc2nsc(=N)n2-c2ccc(OCC)cc2)cc1 101625600 WOISKAZMSXCHRK-UHFFFAOYSA-N 356.451 3.954 0 1 FHAF CC1CCN(c2ncc3c(n2)CCN(Cc2cccc(F)c2F)C3)CC1 21640313 YTHBOADTVBOGCP-UHFFFAOYSA-N 358.436 3.549 0 1 FHAF CCNC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26393061 BQWMLHMOZSVPKK-HBVZMQQDSA-N 360.542 3.602 0 1 FHAF COc1c(C(=O)Nc2nccs2)ccc(NC(=O)CC(C)(C)C)c1F 66066268 LNUKUKIGALSKPN-UHFFFAOYSA-N 365.430 3.918 0 1 FHAF COC(=O)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356565364 ASEMPYULZYUTQF-MLWVWPRPSA-N 360.494 3.957 0 1 FHAF COc1cc(C(=O)NCc2cccc(OC(F)F)c2)ccc1-c1cn[nH]c1 213991136 MHEUJRRHWZGOLM-UHFFFAOYSA-N 373.359 3.617 0 1 FHAF Cn1c(CCN2C(=O)c3ccccc3C2=O)nc2cc(Cl)c(Cl)cc21 36474326 DQXIYUNRQPILQE-UHFFFAOYSA-N 374.227 3.719 0 1 FHAF NC(=O)C[S@@](=O)Cc1ccccc1Oc1ccc(Cl)cc1Cl 84713275 BRABBUVLKKLNGS-JOCHJYFZSA-N 358.246 3.520 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@H](Cc1ccc(CN3CCCC3)cc1)C2 40901037 XMCHSNBMJUOVNZ-LJQANCHMSA-N 365.473 3.897 0 1 FHAF N[C@@H](Cc1ccccc1Cl)c1nc2c(F)cnc(Br)c2[nH]1 587059799 XETZULFXVZPWMF-JTQLQIEISA-N 369.625 3.755 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccncc1)CC2=O 587490210 PGYNJMHJXQELIW-NRFANRHFSA-N 369.417 3.554 0 1 FHAF CCOC(=O)[C@@H]1[C@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@H]21 587107149 PROLHSMQECSOFT-VHKYSDTDSA-N 355.393 3.895 0 1 FHAF COc1ncc(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587766701 HCVMTRBXUOTACT-QLJPJBMISA-N 365.246 3.924 0 1 FHAF Cc1cncc(C)c1-c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923962 VAVCXYCFVKOCJQ-UHFFFAOYSA-N 373.503 3.885 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(CC(F)F)c2)N1 587722421 YOCOMJDQPOWGDL-VXJOIVPMSA-N 374.204 3.673 0 1 FHAF Cc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1C 587111861 GBNQSSPNGHWOOP-UHFFFAOYSA-N 372.354 3.900 0 1 FHAF Oc1c(-c2ccccc2)cccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 586896964 NDSCTHCFTCSQBW-UHFFFAOYSA-N 354.373 3.578 0 1 FHAF C[C@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)n1cc(Cl)cn1 587081592 CUXCERLRVFZKNA-SNVBAGLBSA-N 352.829 3.854 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2OCO3)N1 587833661 HDRZDRZIDCSXJN-ABKXIKBNSA-N 364.214 3.941 0 1 FHAF Oc1nc(S)nc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064249 GJWVCXVKLKIBMR-UHFFFAOYSA-N 374.809 3.840 0 1 FHAF CC(C)COc1cc2nc(C[C@@H](C)N(C)C)[nH]c2cc1Br 587192019 QGLQKRLGMOVQGT-LLVKDONJSA-N 354.292 3.853 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc3ccccn23)N1 587767300 AIYIGWUVKHWZSG-QFYYESIMSA-N 360.230 3.860 0 1 FHAF COc1ccc2c(n1)NCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587525651 OMOVSJSZDVUPCR-NRFANRHFSA-N 350.418 3.645 0 1 FHAF COc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587775364 ZJNJLHOQHSHQJU-QGHHPUGFSA-N 365.246 3.924 0 1 FHAF CCOC(=O)c1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 587116541 GPOFFZYGBFQVAP-UHFFFAOYSA-N 372.734 3.812 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)nn1C(F)F 587870985 MWLHVKPALVFRIY-UHFFFAOYSA-N 364.327 3.676 0 1 FHAF Clc1ccc2c(c1)C[C@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)O2 587079585 DSHKTKUSPGZFKC-LJQANCHMSA-N 369.852 3.725 0 1 FHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2c(F)cnc(Br)c2[nH]1 587164077 QRTAQASEYSRHEP-CYBMUJFWSA-N 367.197 3.650 0 1 FHAF Cc1csc([C@@](O)(Cc2nc3cccc(Cl)c3[nH]2)C(F)(F)F)n1 587093403 DJLFEXLKMDTYCF-ZDUSSCGKSA-N 361.776 3.974 0 1 FHAF COc1cc2c(cc1OC)[C@@]1(C[C@H]3CC[C@]1(C(=O)O)C3(C)C)N(C)[C@H](C)C2 962576308 WSHJQKFPCALFIY-RSWFFZECSA-N 373.493 3.686 0 1 FHAF Cc1cc2c(cc1O)[C@]1(C[C@H](C(C)C)c3ccccc31)N[C@H](C(=O)O)C2 963492380 QKMKGEHTWIDRGW-GTCCEBARSA-N 351.446 3.686 0 1 FHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(CCSc3c(Cl)cccc32)N1 962899029 NYSAUBWRAXIKAM-MAUKXSAKSA-N 363.841 3.817 0 1 FHAF CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2nc(C)n(C(C)C)c2n1 13538298 FOFJAWWNTDQWJM-INIZCTEOSA-N 368.485 3.511 0 1 FHAF O=C(/C=C/c1ccccc1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 206022993 CHAHIAQJPGDUQX-KBWBKQHASA-N 370.811 3.754 0 3 FHAF COC[C@H](C)n1cc(C#N)c2cc(-c3nc(C)c(C(=O)O)s3)ccc21 168003833 XCJYKAXMEGJJHV-JTQLQIEISA-N 355.419 3.851 0 1 FHAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 1857752959 SJYRSNYCENSPGI-UHFFFAOYSA-N 374.941 3.866 0 1 FHAF COc1cccc([C@H]2CCN(c3ccc(-c4cnco4)c(OC)c3)C2=O)c1 584629344 DSHNIXWZSPJZEJ-QGZVFWFLSA-N 364.401 3.879 0 1 FHAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCO 4213689 CUQZUIVGIAJNPV-IAGOWNOFSA-N 370.852 3.602 0 1 FHAF Fc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3ccccn3)cc2)cc1 100106809 ZGKZJOPVDOVXHA-NUNAXRQHSA-N 359.448 3.828 0 1 FHAF COc1ccc(N2C(=O)N(c3ccc(C)cc3)C(=N)C2=S)c(OC)c1 69061653 PTZGDRXADUHROS-UHFFFAOYSA-N 355.419 3.763 0 1 FHAF COc1cc2oc(=O)cc(COC(=O)/C=C/c3ccccc3)c2cc1OC 26393189 JLSOTLFFYIRFNJ-CMDGGOBGSA-N 366.369 3.567 0 1 FHAF Oc1ccc(/C=C/c2cc(O)c(I)c(O)c2)cc1 27524224 ZUWRAORRDMOPTP-OWOJBTEDSA-N 354.143 3.578 0 1 FHAF CC[C@@H]1C2=CCCCn3c([C@@H]4C[C@H](C)C(=O)O4)cc(c32)[C@@H]2[C@@H](C)C(=O)O[C@@H]21 2356681262 NXXRQRYLLDGROE-WPIFSVLTSA-N 369.461 3.974 0 1 FHAF O=C(Nc1ccccc1F)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 40011727 VDTUGOIFCSENNM-ZDUSSCGKSA-N 359.376 3.847 0 1 FHAF O=C(CCN1CCCCC1)Nc1nnc(-c2ccc(Cl)cc2)s1 82155516 NOSVIOCEZYXLIE-UHFFFAOYSA-N 350.875 3.673 0 1 FHAF CC[C@@H](C)Oc1ccc2c(c1)[C@@]1(N=C(C)C(N)=N1)C1(CCC(OC)CC1)C2 261139384 MTRPAEDXTYGACS-RISPHYCOSA-N 369.509 3.980 0 1 FHAF c1ccc([C@H]2CC3(N4CCOCC4)CCNC2[C@@H](c2ccccc2)C3)cc1 299853521 MAHVMGJRFORRLW-SSPWFOHLSA-N 362.517 3.781 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(Br)c1O)[C@@H](C2)C3=O 587412080 HGRMUOQZCSILSM-APPDUMDISA-N 361.191 3.652 0 1 FHAF CCCCc1cc(=O)oc2cc(OCc3nc4c(N)ccnc4[nH]3)ccc12 586918447 KYMBZQFEOZVDDT-UHFFFAOYSA-N 364.405 3.568 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)OC(C)(C)C)N1 587756281 QTVKUHUMUUQASC-YMTOWFKASA-N 373.266 3.688 0 1 FHAF C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C)CN1C 587342476 DYHHJLDAQXTLRW-ABTLNGFYSA-N 369.436 3.989 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc3ccccc3c1)(C(=O)O)O2 587407878 LPPCMFHODCWPOW-QFIPXVFZSA-N 361.397 3.762 0 1 FHAF Clc1cccc2nc(-c3cncc(I)c3)[nH]c12 587184660 LGVKUHCCJQNJBA-UHFFFAOYSA-N 355.566 3.883 0 1 FHAF COc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1OC 587007084 LUPDRNARDJIKEQ-UHFFFAOYSA-N 373.210 3.886 0 1 FHAF C[C@@]1(c2ncc(F)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340218 XJRKUYBIBNTVIP-YLJYHZDGSA-N 368.339 3.735 0 1 FHAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1C 587339828 FSVLSPXPPAZZRT-CTNGQTDRSA-N 366.392 3.848 0 1 FHAF CCCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587758777 JMKUPLRZIHQBEX-HWPZZCPQSA-N 352.251 3.818 0 1 FHAF CCOc1cc2c(cc1[C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)O[C@H](C)C2 587455966 RMIBYDYOBZFDEO-IKJWWVRKSA-N 366.413 3.906 0 1 FHAF CC(C)C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354484 QTKYNRCLVMXQAI-PXNSSMCTSA-N 358.365 3.760 0 1 FHAF NC(=O)c1cccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587783189 ZBVGAHUHFHFMKN-UHFFFAOYSA-N 359.385 3.613 0 1 FHAF CCOC(=O)CC(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587865177 WIZQMYAZQJSMIT-UHFFFAOYSA-N 370.327 3.561 0 1 FHAF CN(C)CCOc1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 587095720 RWZXRIWTNJFFCU-UHFFFAOYSA-N 364.371 3.771 0 1 FHAF COc1ccc(-c2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cc1 587935534 NGTYIIFTCPEKER-UHFFFAOYSA-N 368.400 3.881 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1cc3c(s1)CCCC3)NCC2 962918889 AEVORXHSRXAGEN-OAQYLSRUSA-N 354.519 3.738 0 1 FHAF Cn1c(Br)cnc1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963125238 SCQQHOSLXCJYTE-LBPRGKRZSA-N 361.070 3.725 0 1 FHAF Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cs1 962704063 UDHKXWASSYAYEJ-KGLIPLIRSA-N 359.344 3.903 0 1 FHAF CC(=O)c1ccc(-n2cccc2[C@@H]2NCCc3c(C(=O)O)cccc32)cc1 963120965 IEEQGVAFLQCUTD-OAQYLSRUSA-N 360.413 3.613 0 1 FHAF Cc1cc(Br)nc(-c2cc(C)cc(Br)[n+]2[O-])c1 35653932 YCEIRXUDVMSYEF-UHFFFAOYSA-N 358.033 3.524 0 1 FHAF Brc1ccccc1-n1nnc(-c2ccnc3ccccc23)n1 13545590 IJAYMCBLYKBUBQ-UHFFFAOYSA-N 352.195 3.640 0 3 FHAF O=C(O[C@H]1CN2CCC1CC2)[C@@H]1CCc2ccccc2N1c1ccccc1 13674417 RNBJISATPAUHAD-VXKWHMMOSA-N 362.473 3.777 0 1 FHAF Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCC(=O)O)c3)o2)cc1 169353054 HVKQOLFPJVBXKA-UHFFFAOYSA-N 351.362 3.515 0 1 FHAF CC1(C)N[C@H](CCc2ccc(O)cc2)CC(=O)[C@H]1Cc1ccc(O)cc1 1857574777 ITHHUWIFVJJZCS-YLJYHZDGSA-N 353.462 3.599 0 1 FHAF Cc1ccc([C@@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)s1 1857754520 MLMPTNMMEBBTIG-GOSISDBHSA-N 360.442 3.798 0 1 FHAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4036671 YGFPZTYEYOZJBR-IRLDBZIGSA-N 371.440 3.677 0 1 FHAF COc1ccc(OC)c(N2C(SC)=NN/C2=C2/C=Nc3ccccc32)c1 104037384 XECHKZHGSAPTDR-NBVRZTHBSA-N 366.446 3.832 0 3 FHAF COc1cc2c(cc1OC)[C@H](Cc1cc(=O)oc3cc(C)ccc13)NCC2 64553217 UYKWGHYFHRWDNE-SFHVURJKSA-N 365.429 3.548 0 1 FHAF COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)C2(Cl)Cl)cc1 66260236 PSAPNTGWNWUYRI-OAHLLOKOSA-N 352.217 3.966 0 1 FHAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccncc3)C[C@@H]1O2 84633412 KZZLVBIYWVNTKF-LIVBEALHSA-N 366.461 3.714 0 1 FHAF CN(C)CCCCCCCCCCCC(=O)NC[C@@H](O)c1ccncc1 95591143 SSHJHBGJEXGPEB-HXUWFJFHSA-N 363.546 3.694 0 1 FHAF Cc1ccc2c(n1)OC[C@@H]2NC(=O)Cc1cccc(C(F)(F)F)c1Cl 146651558 INLSXROHBSUFNR-ZDUSSCGKSA-N 370.758 3.855 0 1 FHAF O=Cc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587606771 GCVCAIHCBHJWQV-GHTZIAJQSA-N 362.337 3.613 0 1 FHAF Cn1cc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc2n1 587579251 CXGAZLUYAFESGB-UGKGYDQZSA-N 372.380 3.982 0 1 FHAF Cc1cc(C)c2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2c1 586920348 JIHXQTKMHCCDGD-UHFFFAOYSA-N 354.475 3.685 0 1 FHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(C)ccc(C)c3[nH]2)cc1 587229064 ZXIIGICSXIQRCB-UHFFFAOYSA-N 366.421 3.678 0 1 FHAF CC(C)N1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347266 UFZMLBDBKPDPHL-CTNGQTDRSA-N 355.409 3.743 0 1 FHAF Oc1cccc(CCCCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 586896228 MGMAFLVCKIPJGJ-UHFFFAOYSA-N 365.477 3.666 0 1 FHAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cn(C)nc3C)c2c1 587643698 WQCFZSDMTPYWAM-LLVKDONJSA-N 353.422 3.741 0 1 FHAF CCOC(=O)c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587396820 PQAYWKGCSZNOBE-FQEVSTJZSA-N 356.422 3.579 0 1 FHAF CCOc1ccc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587385485 CUPORLICHDWJJO-NELJVSICSA-N 366.461 3.912 0 1 FHAF CCc1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587093869 HPHSKKIPCRIJIS-OAHLLOKOSA-N 355.385 3.883 0 1 FHAF CCOC(=O)c1ccc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)cc1 587213353 QPLFVZOOMBBJBE-UHFFFAOYSA-N 360.413 3.691 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426196 AFSFFNCKSOQRNE-PGRDOPGGSA-N 361.372 3.921 0 1 FHAF CC[C@]1(Cc2nc3cc(C(=O)OC)ncc3[nH]2)CC(=O)c2ccccc2C1 587962729 ZMPYHEZQHYXAQW-OAQYLSRUSA-N 363.417 3.513 0 1 FHAF CCOC(=O)C[C@]1(Cc2cccc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587399768 MDDIVNDWCLRBOL-QFIPXVFZSA-N 367.445 3.786 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(Cl)nc2[nH]1 587042138 IHGPUBLSTWXLGV-LLVKDONJSA-N 365.245 3.920 0 1 FHAF CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587401300 VTAAGDVVDBKZFH-NRFANRHFSA-N 353.418 3.618 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2c1 587938590 XTLYLNHFYGYICV-XCLFUZPHSA-N 368.433 3.514 0 1 FHAF O=C(O)c1ccnc(-n2nc(Cc3cc(Cl)cc(Cl)c3)cc2O)c1 146763323 VNKGLVYANHHHFT-UHFFFAOYSA-N 364.188 3.569 0 1 FHAF COc1ccc(NC(=O)c2cc(N(C)Cc3cccc(F)c3)ncn2)cc1 1772646111 MFVXQXCESADJQG-UHFFFAOYSA-N 366.396 3.513 0 1 FHAF OCCNc1nc(Nc2cccc(OC(F)(F)F)c2)nc2ccsc12 1772637449 XFOIXLYNCFCWMW-UHFFFAOYSA-N 370.356 3.738 0 1 FHAF Nc1nc2ccc(Cl)cc2c2nc(-c3ccc(Br)o3)nn12 13672412 QGBHBAZUMLQTSK-UHFFFAOYSA-N 364.590 3.536 0 1 FHAF O=C(Nc1nc(C(F)(F)F)cs1)c1cncc(Oc2cccnc2)c1 167609449 NMHQRNXVVBKDJW-UHFFFAOYSA-N 366.324 3.997 0 1 FHAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cncnc2)c1 205954685 RCRUKIMUBXEUMU-UHFFFAOYSA-N 360.295 3.690 0 1 FHAF CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1OC)C2=O 1540715 JLTKYAXEBNEYLW-UHFFFAOYSA-N 365.408 3.785 0 1 FHAF CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=C(C)/C2=C(/O)OC)cc1 101626856 YHZCNBBIUJDVFL-ZMESVYRVSA-N 372.465 3.954 0 1 FHAF Fc1ccccc1CN1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccncc2)cc1 100105976 ZDIULLOYIFXBFF-JKHIJQBDSA-N 359.448 3.828 0 1 FHAF O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1SCCN1Cc1ccccc1 66263794 XWWMVYHTOGAMTF-FZFNZOESSA-N 356.535 3.502 0 1 FHAF NC(=O)c1ccc(Nc2nc([C@H](N)c3ccccc3Cl)cs2)cc1 61926990 QJGQGFOLFNWUFG-OAHLLOKOSA-N 358.854 3.687 0 3 FHAF Fc1ccc2nc(CO[C@H]3CN(Cc4ccccc4F)C[C@@H]3F)[nH]c2c1 2356504668 AACNFPFWXNTEAX-YJBOKZPZSA-N 361.367 3.580 0 1 FHAF COc1ccc(-c2c3c(cc4cc5c(cc24)OCO5)C(=O)OC3)cc1OC 1557253 YYPFAIGJJDNPII-UHFFFAOYSA-N 364.353 3.923 0 1 FHAF biogenic Cc1noc(C)c1-c1ccc2c(c1)[C@](OCCO)(C1CCCCC1)C(=O)N2 219549424 LLCVVRKXBSZUEI-OAQYLSRUSA-N 370.449 3.695 0 1 FHAF O=C(NC1CCCCC1)N1CC[C@H]2CC(=O)N(c3ccccc3)CC[C@H]2C1 15672959 WVXOOABCVZQYGP-ROUUACIJSA-N 369.509 3.794 0 1 FHAF biogenic CCc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCCCC1 72179327 UDOOJCCOQATUAM-UHFFFAOYSA-N 371.569 3.708 0 1 FHAF COc1cc(CC[C@H](C[C@@H](O)C2CCC(C)CC2)OC(C)=O)ccc1O 85628498 VXHKXDWRWQUAIY-RRZHUDIISA-N 364.482 3.842 0 1 FHAF biogenic,in-vitro O=C1CC2(CCCC2)Oc2cc(OC[C@H](O)CNc3ccccc3)ccc21 95590528 MPKWJDSADNMPQY-QGZVFWFLSA-N 367.445 3.816 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2C[C@H]1c1ccccc12 253654697 CCNUQTMMRGAWTF-GVZBARQTSA-N 364.445 3.814 0 1 FHAF CC1(C)C=Cc2c(ccc3c2OC[C@@H](c2cc(C=O)c(O)cc2O)C3)O1 43153654 XIEKVEQDEUJPTD-AWEZNQCLSA-N 352.386 3.813 0 1 FHAF biogenic COc1ccc(-c2oc(C3CC3)nc2C)cc1C(=O)N[C@H]1CC[C@H](O)CC1 299835845 YISZYDGVCQFMLY-WKILWMFISA-N 370.449 3.569 0 1 FHAF Cc1cccc(C[n+]2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)c1 473152215 SRZVTLOAZSAJRJ-UHFFFAOYSA-O 370.476 3.785 0 1 FHAF O=C(COc1ccc(C(=O)c2ccccc2Cl)cc1)Nc1cccnc1 653793973 QZRNTKZRDWMKRS-UHFFFAOYSA-N 366.804 3.984 0 1 FHAF CC(=O)OC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790130 FMXLTZRIPFTABN-DYZYQPBXSA-N 372.278 3.927 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(O)cc1C(F)(F)F)[C@@H](C2)C3=O 587420325 JWPLNCVLRBZYIL-YVEFUNNKSA-N 350.292 3.908 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CSc1ccccc1C(=O)O)[C@@H](C2)C3=O 587448955 NVLLIQDLCQHIDK-XOBRGWDASA-N 370.426 3.692 0 1 FHAF CC(=O)N[C@H](Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1 586985177 KZYSTURBIMTDQS-MRXNPFEDSA-N 358.239 3.745 0 1 FHAF CCOc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587616321 BPQVWOFQUHQYHY-MAUKXSAKSA-N 369.398 3.950 0 1 FHAF CC(C)c1nn(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583024 SSNSSASKHDXXNZ-UWJYYQICSA-N 364.401 3.952 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(Cc3ccccc3)CC1)O2 587395447 MEFAXVKBJGLIMP-QFIPXVFZSA-N 350.462 3.967 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CC1)C(=O)Nc1ccccc13)O2 587398508 DPPXZRIEARDNKT-UHFFFAOYSA-N 362.429 3.745 0 1 FHAF COc1ccc2c(c1)CCC=C2Cc1nc2c(S)nc(S)nc2[nH]1 587934336 JVGGTLKPNBCHFZ-UHFFFAOYSA-N 356.476 3.511 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccc4F)nc1)[C@@H](C2)C3=O 587428156 XKLPSZRKQNSCNR-MGPUTAFESA-N 362.360 3.780 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cncc1F 587566852 AYBHILJHGXGJSX-APWZRJJASA-N 355.296 3.768 0 1 FHAF CC(C)(C)OC(=O)NC1(c2nc3ccc(Cl)cc3[nH]2)CCC(O)CC1 587237563 UCNJEEXTFZAJHE-UHFFFAOYSA-N 365.861 3.871 0 1 FHAF CCc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587587109 FQCBVSBCSOTSKB-UZLBHIALSA-N 350.374 3.689 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ncn1C)CC2=O 587461101 WPSCTEJNTXAUPR-CYBMUJFWSA-N 365.227 3.547 0 1 FHAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O 587808528 QNCNFJLFHYCLSE-VVVCHXIZSA-N 366.230 3.926 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)[C@@H](C(C)=O)c1ccccc1 963047967 QRLBVWUAIXEIOH-REWPJTCUSA-N 360.457 3.977 0 1 FHAF CCOC(=O)[C@@H]1[C@H](C)CC[C@@]12c1ccsc1CCN2Cc1cccn1C 962371725 HLNIFXMBRHGEEI-MFMILTCTSA-N 372.534 3.949 0 1 FHAF CCCN1C(=O)N2C[C@H](CC)N=C2c2[nH]c(C34C[C@@H]5CC3C[C@@H](C5)C4)nc21 12405443 KWTCMZRWMFFRBW-FVAULCICSA-N 367.497 3.678 0 1 FHAF CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc(F)c4)nc23)CC1 13523654 ZOQSROUPADLHKR-UHFFFAOYSA-N 352.413 3.764 0 1 FHAF CS(=O)(=O)Nc1ccc(NCc2c[nH]c3ccc4ncccc4c23)cc1 1657715 PQIUSQZIPGKEBM-UHFFFAOYSA-N 366.446 3.700 0 1 FHAF CCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCc1ccc(C)cc1 2472467 ZYXUZKQEGCSOKR-LPHOPBHVSA-N 373.474 3.761 0 1 FHAF COCCN(C(=O)c1ccccc1)[C@H]1CCC(=O)c2[nH]c3ccccc3c21 6006909 JCHLODAJDLVHRV-SFHVURJKSA-N 362.429 3.974 0 1 FHAF CC1(C)CC2=Nc3nc(O)nc(O)c3[C@@H](c3ccc(F)cc3)C2=C(O)C1 103941753 AKPMIIZCBACAEZ-ZDUSSCGKSA-N 355.369 3.877 0 1 FHAF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(F)cc3)cc1)CC2 115603398 QACAURHEZMYCGU-KRWDZBQOSA-N 369.352 3.828 0 1 FHAF CC(C)(C)c1ccc(C(=O)CC(=O)Nc2ccc3c(c2)OCCO3)cc1 28863741 YGEORKDJMPXFBF-UHFFFAOYSA-N 353.418 3.967 0 1 FHAF COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NC1CCCCC1 21094427 YZHQUMJEVOFIAR-UHFFFAOYSA-N 372.469 3.659 0 1 FHAF Nc1nc(-c2ccccc2)cc(C2CCN(C(=O)c3ccccc3)CC2)n1 28761032 DALMDUQCFJQCDF-UHFFFAOYSA-N 358.445 3.746 0 1 FHAF Cc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCN(C)CC3)n2)cc1 28527290 NGQZSRWPHUHNGB-UHFFFAOYSA-N 360.461 3.576 0 1 FHAF CC(C)[C@@H]1[C@@H]2N[C@H]3O[C@@H]1C[C@@]1(C)[C@H]3CC[C@H]3CCC=C3[C@@]21CCC(=O)O 2356522785 SOIZKWUEDVIFPK-NHKFYRDGSA-N 359.510 3.963 0 1 FHAF CCc1cccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)c1 117585202 NTRGVEAWQXWVJQ-UHFFFAOYSA-N 353.466 3.760 0 1 FHAF CCC(CC)c1cc(C)n2nc(-c3cnc(OC)cc3C)n(C)c(=O)c12 73222017 GVVMYSPGXZJIIU-UHFFFAOYSA-N 354.454 3.624 0 1 FHAF O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(F)cc1)O[C@H](CCC(F)(F)F)C2 72139927 FCVWXLHBBVCZFH-MFKMUULPSA-N 374.359 3.945 0 3 FHAF COc1ccc(/C=C(/c2cc(OC)c(OC)c(OC)c2)[C@H](C)O)cc1OC 71330599 LGCWXFIFBIMJIM-WFSQQTBHSA-N 374.433 3.651 0 1 FHAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)O)co2)cc1 82070465 DFJKETDEPXXRDH-CYBMUJFWSA-N 360.410 3.504 0 1 FHAF COc1ccc(N(C)c2nc(NCCc3cnc[nH]3)nc3ccccc23)cc1 136965461 BFBNRDWKLSSZRF-UHFFFAOYSA-N 374.448 3.784 0 1 FHAF COc1cc2c(cc1O)[C@H]1C[C@](O)(c3ccc(Cl)cc3)CCN1CC2 95587125 RHYAPXDEVZEEMS-XLIONFOSSA-N 359.853 3.635 0 1 FHAF CN(C)CCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@H]1c1ccccc1 299848379 DHYKOXYIUQYOKQ-ZSIKVAHZSA-N 374.532 3.606 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1-c1ncnc2sc3c(c12)CCCC3 587653369 GJZVMPPXYRCCNO-UHFFFAOYSA-N 368.849 3.923 0 1 FHAF O=C1c2ccc(O)cc2OC2(CCC(CO)CC2)[C@H]1c1ccc(F)cc1 587357230 TTWJEPWRSGRGLU-AVXBSWCMSA-N 356.393 3.812 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(O)c(Cl)cc(Cl)c1O)[C@@H](C2)C3=O 587422015 OUVBXAGMRUPZFO-QPFGOUBPSA-N 367.184 3.902 0 1 FHAF CCCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587443730 XGEKPUCVHFKXLZ-VFNWGFHPSA-N 354.402 3.981 0 1 FHAF CCOC(=O)[C@]1(c2cc(C)cc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587401301 VTAAGDVVDBKZFH-OAQYLSRUSA-N 353.418 3.618 0 1 FHAF CCOc1ccc(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652481 SKNOIXLOCXKNPS-GFCCVEGCSA-N 372.808 3.556 0 1 FHAF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@](O)(c1nccn1C)C(F)(F)F 587624855 VDSRAZIURPOWAH-HNNXBMFYSA-N 357.763 3.970 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(C)nn(C)c3nc1Cl)O2 587382642 QRSJNRMFURCTJH-OAHLLOKOSA-N 356.813 3.527 0 1 FHAF COC(=O)c1ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2n1 587075898 OFTFBHINMHQAMT-UHFFFAOYSA-N 367.796 3.559 0 1 FHAF Cc1c(-c2nc3cc4cn[nH]c4cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073984 OSRAPQCNERVKBZ-UHFFFAOYSA-N 363.812 3.708 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587934679 DSYXRXTWBANRHS-RFAUZJTJSA-N 351.328 3.822 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(Cc3cccnc3)CC1)CC2=O 587475924 QWKVJCFBQBFVKC-UHFFFAOYSA-N 366.461 3.740 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OC[C@@H]1CCCO1)O2 587413592 SBBYCYAVCWCPTP-VBKZILBWSA-N 353.418 3.842 0 1 FHAF O=Cc1cc(C=O)c(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531957 JCWRWXVEKIUKRR-IBGZPJMESA-N 350.370 3.603 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N(C)C)n2)N1 587751939 CBEMGGKDHLERCK-BMLIUANNSA-N 364.262 3.673 0 1 FHAF Cc1n[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590959 TYNOTZHTQOICSB-YLJYHZDGSA-N 350.374 3.609 0 1 FHAF COC(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587809106 QJXQOAHUUABUEB-QGHHPUGFSA-N 372.278 3.927 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1occc1N)[C@@H](C2)C3=O 587433773 WHGSRXYWVALQBA-AOMKIAJQSA-N 361.397 3.870 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)oc12 586903388 JRXKGYQAGKEGPZ-UHFFFAOYSA-N 364.357 3.959 0 1 FHAF COc1ccc(CCCc2nc3cc(OC)c(OC)cc3[nH]2)c(OC)c1 587928878 OKVYZEUVRHZCGU-UHFFFAOYSA-N 356.422 3.773 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(=O)OC)CC2=O 587480489 KLWFRDJRDITXID-LJQANCHMSA-N 370.401 3.603 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCN3CCCC3)c1)O2 587396619 UTPNREAEUKRHIR-NRFANRHFSA-N 366.461 3.758 0 1 FHAF N=c1[nH][nH]cc1[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533049 TYXAFJXIGRWEEI-FQEVSTJZSA-N 365.458 3.672 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1ccc(F)cc1)O2 587386012 WSDMLXXPJAPXQW-GOSISDBHSA-N 351.381 3.823 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@H](c3cccc(-c4ccncc4)c3)c3cccc1c32 963028962 PKEJWOVHUDOZGV-WZONZLPQSA-N 355.441 3.891 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cccc(OCCF)c1 963061930 ZNDZFHICCPLREC-HXUWFJFHSA-N 352.409 3.827 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(-c2ccccc2)[nH]n1 963038199 RRGAQGGEVQLHNJ-JOCHJYFZSA-N 356.429 3.869 0 1 FHAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(CC1OCCO1)c1ccccc1F 963111812 RNFRHFFMVPMTQW-JTSKRJEESA-N 371.427 3.992 0 1 FHAF COc1ccc([C@H](c2cc(OC)c(OC)c(OC)c2)C(F)F)cc1O 204880214 WRXRLXWOJQRLAU-MRXNPFEDSA-N 354.349 3.824 0 1 FHAF Cc1ccc(N[C@H]2CCCN(C(=O)c3cn4cccc(C)c4n3)C2)cc1C 11819549 FGCLZNKAKBADKV-IBGZPJMESA-N 362.477 3.976 0 3 FHAF COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@H]23)ccc1O 11990734 KNUWZJNVRUBDEL-MTVVJKOXSA-N 361.488 3.803 0 1 FHAF C[C@H]1CCCC[C@@H]1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 12645185 XXBSQJVWOVZCRW-QRTARXTBSA-N 356.495 3.848 0 1 FHAF COc1cc2[nH]c(-c3cccc(C(=O)O)c3)cc(=O)c2cc1-c1cnco1 13487586 HHMPGPACLTXUHI-UHFFFAOYSA-N 362.341 3.557 0 1 FHAF O=C1C[C@H](c2ccccc2)CC2=Nc3ccc(Cl)cc3S(=O)(=O)[C@H]12 169715399 QNFHODLDTAWLHL-XIKOKIGWSA-N 359.834 3.715 0 1 FHAF COc1cc(OC)cc(-c2cnc3cnc(-c4ccc(CO)cc4)cn23)c1 1857533959 ITKBPJASXSAAQH-UHFFFAOYSA-N 361.401 3.573 0 1 FHAF CN(C)c1ncc(-c2ccc(O)cc2)cc1-c1ccc(S(C)(=O)=O)cc1 1857551992 JUSSLCLDOMYWPZ-UHFFFAOYSA-N 368.458 3.591 0 1 FHAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1cccs1)CCC3 103221492 FEQWGUNIXYEPOA-HNNXBMFYSA-N 356.447 3.575 0 1 FHAF COc1c(Cl)ccc2ncc(Oc3ccc(O[C@H](C)C(=O)O)cc3)nc12 29475018 URLWMQRMXHBGHM-SNVBAGLBSA-N 374.780 3.936 0 1 FHAF O=S(=O)(c1ccc(/C=C/c2ccccc2O)nc1)c1ccccc1F 28889333 YNXMRPPJUWZMOJ-MDZDMXLPSA-N 355.390 3.930 0 1 FHAF COc1ccc2[nH]c3c(c2c1)[C@H]1CCN(C1)[C@H]3C(=O)OCc1ccccc1 28948235 GJRDOKLPYMRLFW-YCRPNKLZSA-N 362.429 3.764 0 1 FHAF CCCc1cc(C)nc2nc(CCc3nc(-c4ccccc4)cn3C)nn12 113422030 SXXVPFWBOQKACG-UHFFFAOYSA-N 360.465 3.571 0 1 FHAF C[C@H]1CCC[C@H](C)N1CCC[C@@](C(N)=O)(c1ccccc1)c1ccccn1 29553814 CZVQBMXKFAJRAC-SFYKDHMMSA-N 365.521 3.896 0 1 FHAF C[C@H](CCN)[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 118919894 PEAFVGSJDSBIIY-RAXVYBNDSA-N 363.586 3.962 0 1 FHAF CSC=CC(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 2356780972 HFDMONMBQKMBPO-XBFIUCKLSA-N 350.480 3.863 0 1 FHAF CCc1nc(-c2ncn3c2CN=C(c2ccccc2)c2c(F)cccc2-3)no1 26381174 PXCSHGNXAIEVOA-UHFFFAOYSA-N 373.391 3.975 0 1 FHAF CNc1nccc(-c2ccc(C(=O)NCCc3ccccc3Cl)s2)n1 35814733 UCRVNWSQOAMWMH-UHFFFAOYSA-N 372.881 3.873 0 1 FHAF Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N[C@H]4CCNC4)n3n2)cc1 72184882 RXRKEZSPDRCUBM-SFHVURJKSA-N 373.435 3.976 0 1 FHAF O=C(Nc1ccc([C@@H](O)CO)cc1Cl)c1cc2cc(Cl)ccc2[nH]1 40430446 BUIYKRGIULRPHP-INIZCTEOSA-N 365.216 3.753 0 1 FHAF CCCCC[C@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195216442 OMZWQYNMKBPQOL-NLPVSQSESA-N 369.505 3.740 0 1 FHAF Cc1ccc(Cl)cc1N1CCN(c2ncnc3[nH]nc(C(C)C)c23)CC1 84615821 GVPKPIYHQSAUFM-UHFFFAOYSA-N 370.888 3.765 0 1 FHAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(Cc3ccccc3)C2)O1 96018814 AVRMVKIDGKBKNI-UNMCSNQZSA-N 358.526 3.849 0 3 FHAF O=C(Oc1ccccc1)C(Br)(C(F)(F)F)C(F)(F)F 68573943 GLGNTPYMMPOIHW-UHFFFAOYSA-N 351.040 3.850 0 1 FHAF biogenic O=C(Nc1cncc(Oc2cncc(F)c2)n1)c1cc(Cl)ccc1F 299827362 ZMNWKYYTVLPROH-UHFFFAOYSA-N 362.723 3.848 0 1 FHAF COc1cccc(S(=O)(=O)N(C)c2ccc(-c3cccnc3)cc2)c1 299818765 ABBZUEDREFGILB-UHFFFAOYSA-N 354.431 3.582 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@H]2CC3=O)N1 587816870 FEPZQICTRZUQLB-XLKPWHTISA-N 352.247 3.707 0 1 FHAF COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587767217 ADKVPPHUUJEVBK-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF Cc1nc2nc(C3=Cc4cccc(O)c4OC3)[nH]c2cc1Br 586908369 OCOCWICMBVQTAF-UHFFFAOYSA-N 358.195 3.667 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)cc1OC(F)(F)F)O2 587383828 WIQUFNMQWOZFIH-CQSZACIVSA-N 353.296 3.888 0 1 FHAF COC(=O)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623733 NLVCJDKKESWOLA-UHFFFAOYSA-N 371.194 3.655 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN[C@@H]3CCCC[C@H]32)N1 587792817 MWZKCOHVYJQZIK-VBVJRUAFSA-N 367.306 3.870 0 1 FHAF CCOC(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800486 XZQHQRPRDUPSRS-GTNSWQLSSA-N 372.278 3.927 0 1 FHAF COc1cc2c3c(c1)O[C@@H]([C@H](C)Cc1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587427331 SOLSRHBYTHXTQR-JSKPFOEOSA-N 356.393 3.838 0 1 FHAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587769414 GCRBCRZMGRSNJL-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF C[C@]1(Cn2cccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342937 QUCSTASRPGSRMG-UYAOXDASSA-N 352.365 3.546 0 1 FHAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(S)nc(S)nc2[nH]1 587075567 ILFVDJYBOGHJSQ-UHFFFAOYSA-N 374.882 3.745 0 1 FHAF COC(=O)C[C@]1([C@@H](C)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399981 ONHPBMIQUSICRZ-QKKBWIMNSA-N 353.418 3.648 0 1 FHAF CC[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605611 AFSPKQRAZYDHPV-NQIIRXRSSA-N 354.402 3.929 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(F)(F)F)N1 587707772 WTZKHXLPBPJHPS-UHLUBPPHSA-N 368.168 3.859 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COCc1ccccc12 587607164 GIFABHJETUEKGO-KNQAVFIVSA-N 360.365 3.780 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ncccc1C)CC2=O 587472207 YZNFYLACIHAECJ-OAQYLSRUSA-N 368.433 3.801 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccnc2Cl)N1 587701278 ATYYRNKTKYXYLL-MADCSZMMSA-N 356.626 3.655 0 1 FHAF C[C@]1(CC2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613925 ZNSFBKFMIZDVNL-GHTZIAJQSA-N 354.402 3.929 0 1 FHAF CCCCC[C@@]1(CP(=O)(OC)OC)NCCc2c(C(=O)O)cccc21 963132443 QFSLTCPEXLUKHJ-SFHVURJKSA-N 369.398 3.792 0 1 FHAF Cc1cc([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)oc1C 962648903 XEEQLQIWFHCVLU-VXKWHMMOSA-N 364.445 3.807 0 1 FHAF CCCCCCNC(=O)Nc1ccc(OC[C@@H](O)CNC(C)(C)C)cc1 169317349 AYVRAACTBZAOSN-KRWDZBQOSA-N 365.518 3.516 0 1 FHAF CCNc1nc(Nc2ccc3c(c2)NC(=O)COC3(C)C)nc2ccoc12 1772645949 AGWKWHBSIUNPNN-UHFFFAOYSA-N 367.409 3.602 0 1 FHAF COc1ccc(C(=O)[C@@H]2CCCN(C(=O)/C=C/c3ccccn3)C2)c(C)c1 11753947 LIIUOUBOXJQALH-VGMNTSGFSA-N 364.445 3.533 0 3 FHAF CCCCC[C@@H](O)/C=C/[C@H]1COC(=O)[C@@H]1CCCCCCC(=O)OC 169318072 QKIWIMOLPKYATQ-JMWDIYLBSA-N 354.487 3.787 0 1 FHAF CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1 169718338 NLVHTGONXUEUTD-UHFFFAOYSA-N 355.459 3.917 0 1 FHAF Cc1nc2cccc(-c3[nH]c4c(c3C)C(=O)NCC4)c2nc1NC(C)(C)C 206088255 JJMUWUXKLXIKLX-UHFFFAOYSA-N 363.465 3.738 0 1 FHAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc1 2356302449 VTGCOMMDBJQWJS-YLJYHZDGSA-N 369.440 3.619 0 1 FHAF Cc1cnc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)S2(=O)=O 1654027 PBPURYZVOPKVSY-UHFFFAOYSA-N 366.398 3.531 0 1 FHAF Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cn1 3814682 NVDWWXSVMQNLOI-UHFFFAOYSA-N 360.385 3.650 0 1 FHAF CC1CCC(N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)CC1 101678217 QTDSYTSWQYNZSB-UHFFFAOYSA-N 362.857 3.642 0 1 FHAF CNc1nc(C)c2cc(-c3cccc(OC)c3)c(=O)n(C3CCCC3)c2n1 117706744 GYJAIGUQFWKXIT-UHFFFAOYSA-N 364.449 3.932 0 1 FHAF Nc1[nH]nc(NCCc2ccc(O)cc2)c1-c1nc2ccccc2s1 114397799 OOBXYQWFBLKOGO-UHFFFAOYSA-N 351.435 3.629 0 1 FHAF NC(=O)c1ccc(Oc2ccc(CN3CCc4ccccc4C3)cc2)nc1 28825027 ASROHKXYVRSCOG-UHFFFAOYSA-N 359.429 3.531 0 1 FHAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(-c2cccnc2)c1 28367998 JHPWLHDMYDPCMU-UHFFFAOYSA-N 361.445 3.605 0 1 FHAF CCC(CC)c1cc([C@@H]2CN3CC[C@H]2C[C@H]3CN)nc(-c2ccncc2)n1 2356817122 DHSUFIFRCXENTO-GBESFXJTSA-N 365.525 3.579 0 1 FHAF Cc1cc2c(s1)c1cnn(Cc3cc(F)c(F)cc3F)c(=O)c1n2C 36380271 GJWYNASUVCPMCV-UHFFFAOYSA-N 363.364 3.724 0 3 FHAF CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)CC)cc3o2)cc1 73313147 SGPIURPAQSBJFB-UHFFFAOYSA-N 361.423 3.732 0 1 FHAF CC(C)(O)CCC[C@@]1(C)CC(=O)c2cc(O)c(Br)cc2O1 13430757 QZDDHLKGAQQTLO-INIZCTEOSA-N 357.244 3.820 0 1 FHAF biogenic O=C(Nc1ccc(F)cc1)Nc1cccc(OCCCN2CCOCC2)c1 43062806 HZINUYDQDPJUDB-UHFFFAOYSA-N 373.428 3.571 0 1 FHAF CC[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 223674316 VIDBYKDOYINNBI-ZDUSSCGKSA-N 353.495 3.781 0 1 FHAF O=C(NC[C@@H]1CCCOC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12 1911576705 CZJASGWYQJACLP-LBPRGKRZSA-N 371.387 3.665 0 1 FHAF CC(=O)[C@]12[C@@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@@H]1c1ccccc1)[C@@]32C 195469070 ZXKPEKZKEYGWNX-ZYSLNFODSA-N 360.457 3.904 0 1 FHAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587162757 LHKUQICYQQVDHS-ROUUACIJSA-N 351.425 3.805 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c(OC)c(OC)c1)CC2=O 587485008 XUKFXPHLKIKWFU-KRWDZBQOSA-N 358.390 3.774 0 1 FHAF Cc1csc(SCc2ccc(-c3nc4c(O)nncc4[nH]3)cc2)n1 587021099 HYBRDWSSPKKPGN-UHFFFAOYSA-N 355.448 3.783 0 1 FHAF Cc1nc2[nH]c([C@H](O)c3ccccc3Cl)nc2cc1Br 587059357 OWPLMJOEANCCIS-GFCCVEGCSA-N 352.619 3.764 0 1 FHAF CSc1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586923075 XVAXFHMXKJAVEO-UHFFFAOYSA-N 372.515 3.790 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c4c(c1)OCCCO4)[C@@H](C2)C3=O 587418533 BWPUWNYLMDLOQZ-ORAYPTAESA-N 372.804 3.999 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2C2CC2)N1 587767958 ZHELYEXUIFWXSN-HUTHGQBESA-N 364.262 3.823 0 1 FHAF COC(=O)c1ccnc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c12 587247417 LGQRJQXZERHBQS-UHFFFAOYSA-N 372.384 3.664 0 1 FHAF O=C(CCCc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(Cl)cn1 587081632 SAPIGYYFQOOCAP-UHFFFAOYSA-N 371.824 3.978 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](COC(F)(F)F)(c1ccccc1)O2 587380855 BQLQILCLGXWUFS-KRWDZBQOSA-N 351.324 3.974 0 1 FHAF Brc1c(OCc2nc3cnncc3[nH]2)ccc2ccccc12 587000102 FQNLEEHXYDHUSS-UHFFFAOYSA-N 355.195 3.848 0 1 FHAF C[C@]1(Cn2ccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339884 GJXMZVFSKBPCHZ-UYAOXDASSA-N 352.365 3.546 0 1 FHAF CCc1ccc(-c2nc(-c3nc4c(O)nc(S)nc4[nH]3)cs2)cc1 587016484 WQKWOAYTZQTAEA-UHFFFAOYSA-N 355.448 3.700 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2n[nH]cc2c1 587594143 KMNOYSGIJVBIPJ-RXVVDRJESA-N 358.353 3.971 0 1 FHAF COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587772857 PGEDMJKHLDCTFO-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF CCOc1cc2c(c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c1)O[C@@H](C)C2 587448009 AUPKEHILMUWCFS-WPINSWFRSA-N 366.413 3.906 0 1 FHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 587783836 AWHNAHJICGMZAE-STQMWFEESA-N 372.222 3.664 0 1 FHAF O=C(CCN1C(=O)c2ccccc2C1=O)c1coc2ccc(Cl)cc12 587276225 NXAHIPNUXHABPD-UHFFFAOYSA-N 353.761 3.955 0 1 FHAF O=C(O)Cc1ccc(Cc2nc3cc(Br)cc(F)c3[nH]2)cc1 587962104 RMTSTHZVAZNNRA-UHFFFAOYSA-N 363.186 3.682 0 1 FHAF COc1ccc(-c2cnnc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1 587875499 PFTOXWBRYITMQH-UHFFFAOYSA-N 361.336 3.645 0 1 FHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(C(F)(F)F)cnc2[nH]1 587175185 QQVKRHXNEQXFCO-GFCCVEGCSA-N 363.318 3.840 0 1 FHAF Cc1[nH]c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)O 587788932 ARZBIFNUYUEXFF-MLXNANBUSA-N 367.218 3.547 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@]3(C)[C@@H](C(C)=O)c1ccccc1 963047960 QRLBVWUAIXEIOH-NZQKXSOJSA-N 360.457 3.977 0 1 FHAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cc(C(=O)OC)ccc1N 963235599 XBBOTHBJSDNRES-OYHNWAKOSA-N 352.478 3.976 0 1 FHAF COc1cccc(C[C@]2(CO)CCCN(Cc3ccc(OC)cc3F)C2)c1 11817285 YEGBSRACYHRYQM-JOCHJYFZSA-N 373.468 3.660 0 1 FHAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCOCC2)cc1 13803485 HXDJHYKSRHALMQ-NRFANRHFSA-N 352.478 3.590 0 1 FHAF CCCCC[C@H](C[C@@H](O)CCc1ccc(OC)c(OC)c1)OC(C)=O 15256958 MVMCYBCRYZSVDR-ZWKOTPCHSA-N 352.471 3.899 0 1 FHAF biogenic,in-vitro CNC(=O)CO[C@@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205709445 KSCFWGSIOOWTPW-MRXNPFEDSA-N 350.340 3.517 0 1 FHAF Oc1nc(CCCCN2CCN(c3ccccc3)CC2)nc2ccsc12 1857544682 CZCDEUYGDBIBIO-UHFFFAOYSA-N 368.506 3.542 0 1 FHAF CC(=O)Oc1cc(O)c2c(c1)C=CCCC[C@H](O)CCC[C@H](C)OC2=O 1857627603 YZEOCIDFBYMBCT-BBRMVZONSA-N 362.422 3.591 0 1 FHAF CC(=O)[C@@]12CCC(C)=CC[C@@]13CC[C@H]2[C@@](C)(C=CC=C(C)C(=O)O)OC3=O 2356381580 RLMSZFYLXGZYPL-KVJIRVJXSA-N 372.461 3.991 0 1 FHAF CCn1c(C)nc2cc(S(=O)(=O)C(F)(F)[C@@H](F)C(F)(F)F)ccc21 2340420 QAYZZIOKQQPPEG-NSHDSACASA-N 374.306 3.632 0 3 FHAF CCNc1ncc2nc(-c3ccccc3)c(=O)n(CCc3ccccc3)c2n1 4238361 OSKSYBWLLQCCGL-UHFFFAOYSA-N 371.444 3.528 0 1 FHAF Cc1cc2c(cc1Cl)SC(C(=O)c1ccc(F)cc1)=NS2(=O)=O 6522192 WSPJHIYUYPWFLW-UHFFFAOYSA-N 369.826 3.863 0 1 FHAF O=C(NCc1ccccc1)c1ccc2oc(=O)n(Cc3ccccc3)c2c1 8608228 QXMQVOFKWGAFIJ-UHFFFAOYSA-N 358.397 3.573 0 1 FHAF O=S(=O)(NCc1ccc(F)cc1)c1ccc(-c2cnc(C3CC3)o2)cc1 8608471 PZDLWEDZIGWMCN-UHFFFAOYSA-N 372.421 3.837 0 3 FHAF O=C(Nc1ccccc1Cl)N1[C@@H]2CC[C@@H]1CC(O)(c1cccnc1)C2 100983974 UKXJKCUTCLJHJL-HUUCEWRRSA-N 357.841 3.782 0 1 FHAF CC(C)(C)NC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]21C 100298075 DBEPLOCGEIEOCV-SFTVZBSLSA-N 372.553 3.815 0 1 FHAF O=S(=O)(c1ccc(Cl)cc1)n1cc(C[C@@H]2CCCN2)c2ccccc21 28526135 AOLVVPXTTFBZPG-INIZCTEOSA-N 374.893 3.826 0 1 FHAF Cc1nc2c3c(c(C(=O)N4CCC4)cn2c1C)CC[C@H](c1ccccc1)O3 28867128 RDWBXGHDEURDKU-LJQANCHMSA-N 361.445 3.863 0 1 FHAF CN1C(=O)CC[C@]2(C)c3ccc(CC(=O)Nc4ccccc4)cc3CC[C@@H]12 27322422 QLAVHWXDRSHEIB-NFBKMPQASA-N 362.473 3.693 0 1 FHAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(Cl)cc1)[C@H](O)C(C)(C)O2 27519533 UFWVSNZKEVMALD-ROUUACIJSA-N 373.836 3.546 0 1 FHAF CCc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1 117586336 BYFWMXRECDVMHC-UHFFFAOYSA-N 353.466 3.760 0 1 FHAF O=C(Nc1cccc(O)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 368433952 OJCRVFHKWZBLLA-UHFFFAOYSA-N 358.825 3.537 0 1 FHAF CC[C@]1(c2ccccc2)OC(=O)C[C@]1(Cc1ccc(OC)cc1)C(=O)OC 73167317 IJLFWJKLZPQOTO-FGZHOGPDSA-N 368.429 3.650 0 1 FHAF O=C1OCC2=C1[C@@H](c1ccc(F)c(Cl)c1)c1cc3c(cc1N2)OCO3 40404743 SRUWTGFOBZINTQ-INIZCTEOSA-N 359.740 3.576 0 1 FHAF CCN(CC)Cc1cccc(C[C@H]2Oc3cc(OC)c(OC)cc3C2=O)c1 40914447 XLIZCZUQXPPIHG-OAQYLSRUSA-N 369.461 3.732 0 1 FHAF COc1ccc(N(C)c2cc(Br)cc(C(=O)N(C)C)c2)cc1 96910987 IGSCZPCABVOJSO-UHFFFAOYSA-N 363.255 3.927 0 1 FHAF CCOC(=O)C1=C(C)NC(SC)=N[C@H]1c1ccccc1C(F)(F)F 299856064 HKWBTRNGUFFCKG-ZDUSSCGKSA-N 358.385 3.906 0 1 FHAF O=C(NCCc1nc(-c2ccc(F)c(F)c2)cs1)N1CCCCC1 653850685 LIUDUNOJGBHQIC-UHFFFAOYSA-N 351.422 3.826 0 1 FHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cnc2[nH]1 587068720 BVHNALPVKKSVGI-SNVBAGLBSA-N 365.662 3.659 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nonc12 587588381 KILHXZMYNHGAKI-OXQOHEQNSA-N 360.325 3.631 0 1 FHAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587596841 WNXWFHKQOZMHQD-LAUBAEHRSA-N 364.353 3.809 0 1 FHAF NC1CC(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C1 587255136 FRUFXKIYGHSGHB-UHFFFAOYSA-N 364.165 3.504 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1nc3cc(OC)ccc3n1C)CC2=O 587476934 SEJKYEHCHBACPR-IBGZPJMESA-N 366.417 3.947 0 1 FHAF COc1ccnc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587769489 GKLUUNYVDCJLCG-BMLIUANNSA-N 365.246 3.790 0 1 FHAF C[C@]1(CC(=O)NCc2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587508450 ASSISSKVSNYTFU-OAQYLSRUSA-N 353.418 3.589 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn2ccnc12 587588276 SDFRWSMQSRSBLQ-YLJYHZDGSA-N 358.353 3.743 0 1 FHAF COc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1OC 587112432 HEYZKJVHRWNNOD-LBPRGKRZSA-N 365.355 3.841 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cn(C)c4ccnc(Cl)c14)[C@@H](C2)C3=O 587423349 XMCWJWWWMSZBDM-VOJFVSQTSA-N 354.793 3.724 0 1 FHAF CCOc1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)nn1CC(C)C 587433201 WGFVQRMRRXNARV-FOIQADDNSA-N 370.449 3.744 0 1 FHAF COC(=O)/C(=C/N(C)C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995138 FOQQIXPSSQQTIE-LDADJPATSA-N 372.424 3.830 0 1 FHAF O=C1C[C@@H](c2ccc(N3CCOCC3)nc2)Oc2c1ccc1c2CCCC1 587518552 LAQBBFPORRIOMU-FQEVSTJZSA-N 364.445 3.504 0 1 FHAF COC(=O)c1cc2[nH]c(C[C@@H](C)c3cccc(OC)c3)nc2cc1OC 587929671 CNOROYCFDAXEJK-GFCCVEGCSA-N 354.406 3.713 0 1 FHAF COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587772854 PGEDMJKHLDCTFO-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF C[C@@]1(c2cnc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590388 ZSSYLALRHPPVPM-KNQAVFIVSA-N 372.380 3.917 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCCc3n[nH]cc32)[C@H]1c1ccc(F)cc1 587346115 LETGSEHOBKQAIZ-FPOVZHCZSA-N 364.376 3.845 0 1 FHAF O=C(O)c1cccnc1Sc1cc(C2CC2)nc(-c2ccccn2)n1 957868996 PNILFPRICFNKLV-UHFFFAOYSA-N 350.403 3.660 0 1 FHAF Cc1c(F)ccc2c1[C@@](CCCC(=O)O)(c1ccc(Cl)cn1)NCC2 962145074 LQCREUFGOMGFIR-LJQANCHMSA-N 362.832 3.827 0 1 FHAF O=C(O)c1cccc2c1CCN[C@]2(Cc1cc(F)ccc1F)C(F)(F)F 963143216 LGXMMQRUZSJNKT-KRWDZBQOSA-N 371.305 3.809 0 1 FHAF CC(C)C(C/C=C1/C[C@](CO)(COC(=O)c2ccccc2)OC1=O)C(C)C 1655265 LBUKYFWZBTXWFE-PZCGXLTHSA-N 374.477 3.766 0 1 FHAF CC(C)[C@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O 209310474 JIYAXHKPIXIXDQ-ZVXPMLRVSA-N 353.506 3.922 0 1 FHAF COc1cc([C@H]2OC[C@H]3[C@@H]2CC[C@H]3c2ccc(O)c(OC)c2)ccc1O 2356369967 WIBQQMLELFLPKY-GXYOHSSGSA-N 356.418 3.996 0 1 FHAF CCCC[C@](C)(O)CC=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCCO 2356331859 SPOAFZKFCYREMW-QIJZPMMNSA-N 354.531 3.773 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCCOC 4214579 GTGWTYIHHBATTK-SJORKVTESA-N 352.500 3.915 0 1 FHAF Cc1cc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)nc(C)c1Cl 27626996 AOPLWHHNFKEREL-UHFFFAOYSA-N 354.926 3.959 0 1 FHAF O[C@@]1(c2ccc(-c3nc4ccccc4s3)cc2)CN2CCCC[C@H]2CO1 58549958 ZTONOAATDZXAON-UWJYYQICSA-N 366.486 3.993 0 1 FHAF in-vitro C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1C(=O)CCc1ccccc1 61928617 YFGVEDOSOCGLFW-QHCPKHFHSA-N 373.456 3.797 0 3 FHAF CCCNC(=O)c1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C)on1 61906355 XLHSLNCOFBOISO-KRWDZBQOSA-N 373.428 3.629 0 3 FHAF CN(C)C(=O)C[C@@]1(O)CCC[C@H](/C=C/[C@@H](O)CCCCc2ccccc2)C1 27903820 LQQOFRLZJKZLCO-RWFYCZRESA-N 373.537 3.716 0 1 FHAF CC(C)(C)c1cc(-c2cn3c(n2)S(=O)(=O)C=C3)cc2c1OCC2(C)C 27102640 YLZYMPSROZAMDR-UHFFFAOYSA-N 358.463 3.733 0 1 FHAF Brc1cccc2c1ccn2CCN1CCN2CCCC[C@@H]2C1 22939997 BGGMTWWGWCVIGN-OAHLLOKOSA-N 362.315 3.574 0 1 FHAF O=C1CCN(C(=O)CCc2c[nH]c3ccccc23)C[C@@H]1Cc1ccccc1 27625900 ABVRPWLCNGXHIF-IBGZPJMESA-N 360.457 3.761 0 1 FHAF CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 61905746 GKMZBCUVNFETAM-IBGZPJMESA-N 350.462 3.732 0 3 FHAF C=CC1=C(C(=O)NCCc2ccc(F)cc2)[C@H](c2ccc(F)cc2)OC1 73224197 VVQKWQVTNQAAQY-FQEVSTJZSA-N 355.384 3.878 0 1 FHAF CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccncc1 224877399 QXEFABXNOOOUHO-UHFFFAOYSA-N 361.401 3.985 0 1 FHAF CN(C)Cc1nc2c(sc3ccc(-c4ccc(O)c(F)c4)cc32)c(=O)[nH]1 45286312 RDPIVXMVUFXNIS-UHFFFAOYSA-N 369.421 3.711 0 1 FHAF NCCOc1c(-c2ccc(Cl)c(Cl)c2)[nH]c(=O)c2cc(F)ccc12 149290482 BFJMBXAFUUTYIR-UHFFFAOYSA-N 367.207 3.979 0 1 FHAF CCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253695566 BQWMLHMOZSVPKK-NRTKJZQQSA-N 360.542 3.602 0 1 FHAF Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)c(O)nc(=O)n1C 261096455 FLWPDFHBTSGXSA-UHFFFAOYSA-N 373.359 3.895 0 1 FHAF COc1cncc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587775934 VCKNTPJKHIRQDT-BMLIUANNSA-N 365.246 3.790 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=N)c1ccncn1 587863911 DYBZQXOCTVQYKY-UHFFFAOYSA-N 361.327 3.631 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1ccc(N)cc41)[C@@H](C2)C3=O 587437532 GJPYERUJPJPASB-KSFYIVLOSA-N 360.413 3.738 0 1 FHAF COc1cc(O)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598967 CPFAOHLQBNDJEW-GHTZIAJQSA-N 364.353 3.809 0 1 FHAF CCCOc1cc2nc(Cc3ccc(=N)[nH]c3)[nH]c2cc1Br 587254028 VBPBBHFILRJINM-UHFFFAOYSA-N 361.243 3.513 0 1 FHAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)[C@H](C)F)[nH]c4c3)o2)cc1 587122618 FQMADWOBGHUCGA-QFYYESIMSA-N 367.384 3.646 0 1 FHAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C(N)=O)cc3[nH]2)cc1 587938134 SXCODJAYNOMROY-HXUWFJFHSA-N 357.413 3.851 0 1 FHAF C[C@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)C=C(c2ccccc2F)NO1 587159138 ZVDKCHRYSCYOJY-HXUWFJFHSA-N 367.380 3.654 0 1 FHAF CC[C@]1(c2cnccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587776570 YBTXAMXNLAHKHJ-HWPZZCPQSA-N 350.235 3.566 0 1 FHAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587770916 KOTYJCCCYAQLHG-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)nn2)N1 587706595 QRHUWMXLKZBIRC-ANRSDYALSA-N 370.653 3.829 0 1 FHAF CCOC(=O)C[C@@]1(c2ccoc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531402 FOLWOLZRAIPBEL-OAQYLSRUSA-N 354.402 3.972 0 1 FHAF COC(=O)c1cccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 587022946 GPHPLBQMRUPIET-UHFFFAOYSA-N 374.422 3.820 0 1 FHAF C[C@@H]1CCc2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)sc2C1 587654734 YPWWNFRFPWGTPT-SNVBAGLBSA-N 358.850 3.925 0 1 FHAF C[C@H](O)Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586890474 JUJIDEFQPYXFKV-JTQLQIEISA-N 363.339 3.757 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cncc2F)N1 587729755 HOHYMMIRSVCANY-NZFNHWASSA-N 357.173 3.885 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C=O)c(O)c(C)c1O)CC2=O 587490360 RNXYETCNPZOBHV-KRWDZBQOSA-N 356.374 3.583 0 1 FHAF NS(=O)(=O)c1cc(C(=O)c2coc3ccc(Cl)cc23)ccc1Cl 587278389 GKEDSJPRNSMQAF-UHFFFAOYSA-N 370.213 3.618 0 1 FHAF O=C(N[C@@H]1CCCc2ccccc21)c1cccnc1NCc1ccncc1 1772644580 VLLSYRYJBGNVTH-HXUWFJFHSA-N 358.445 3.896 0 1 FHAF O=C(O)CCC/C=C/C[C@@H]1[C@@H](CNCCNc2ccccc2)[C@H]2CC[C@H]1O2 169370769 HMZUDQZKIYDION-VITVMQLTSA-N 372.509 3.683 0 1 FHAF Cc1nc(C(C)(C)NC(=O)c2cccc(-c3ccc(Cl)cc3)n2)no1 206691180 GACXUQRYRFBDSY-UHFFFAOYSA-N 356.813 3.759 0 1 FHAF O=C(O)C1=CC[C@@H]2C[C@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 207191524 FIWGUWJZNRWGNC-LAPHNKNDSA-N 350.414 3.673 0 1 FHAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCc3cc(Cl)ccc3C2)CC1 1857579575 PWAMOODUNUXEIM-RHDGDCLCSA-N 363.933 3.918 0 1 FHAF O=c1cc(-c2ccccc2)oc2cc(O)c(OCCCCCCO)c(O)c12 1857651187 LKRUXCKULPVWBD-UHFFFAOYSA-N 370.401 3.803 0 1 FHAF CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)cc1 769124 WTBOOQPNLXSUKP-HKUYNNGSSA-N 372.852 3.919 0 1 FHAF CCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OCc1ccc(C)cc1 2472471 ZYXUZKQEGCSOKR-QFBILLFUSA-N 373.474 3.761 0 1 FHAF Cn1cccc1C(=O)N1CCC2(CCCN(Cc3ccccc3)C2)CC1 3956379 OCNRLXBEBVUSMS-UHFFFAOYSA-N 351.494 3.544 0 1 FHAF Cc1nn(CC(=O)NC2CCC(C)CC2)c(=O)c2c1sc1ccccc12 6798998 VSBGMORNMGVQBU-UHFFFAOYSA-N 369.490 3.615 0 1 FHAF CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)COC(=O)c2ccc(Cl)c(N)c2)C1 100918544 QGYKVZQSMOLYSL-YJYMSZOUSA-N 364.873 3.506 0 1 FHAF Fc1ccc([C@H]2C[C@@H]3CC[C@H](N3)[C@H]2COc2ccc3c(c2)OCO3)cc1 100801360 HAHQKXHPHSTOFJ-NQYYFHDYSA-N 355.409 3.858 0 1 FHAF Nc1c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)cnc2ccnn12 100100108 BWUXSHHOKODNAK-OKILXGFUSA-N 350.422 3.727 0 1 FHAF COc1ccc2[nH]cc(Cc3nn4c(-c5ccoc5C)nnc4s3)c2c1 28712885 LDKAWLJWMQRHKE-UHFFFAOYSA-N 365.418 3.835 0 1 FHAF C[C@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1Br 29406969 ASLDMDSWKLKXET-ICIURTGMSA-N 352.272 3.721 0 1 FHAF CC[C@@H]1C=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 2356475133 QBUNWYIRJPTIPL-ZFOUZFEASA-N 364.482 3.549 0 1 FHAF COC[C@H](C)NC(=O)c1cnc2c(-c3ccc(C(C)C)cc3)cnn2c1C 23304566 CGGPQQYOXKBDOB-AWEZNQCLSA-N 366.465 3.593 0 1 FHAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccccc4C)C[C@H]3F)[nH]c2c1 2356697206 AGECQXWKVNLSJZ-YLJYHZDGSA-N 353.441 3.919 0 1 FHAF Fc1cccc(-c2nc(CN[C@@H]3CCN(Cc4ccccc4)C3)co2)c1 72185319 WDBJHPRBLVFFSA-LJQANCHMSA-N 351.425 3.845 0 1 FHAF CC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12CCOc1ccccc12 43204883 SIFDIWHUFOMQGF-SFHVURJKSA-N 360.385 3.857 0 1 FHAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1OC1CCC1 221106653 WRONUICUDKTKHA-UHFFFAOYSA-N 352.312 3.577 0 1 FHAF O=C1N(Cc2cc3ccccc3s2)C[C@H]2CN(Cc3ccoc3)CCN12 45334991 JMWFRKVOGVDVEB-QGZVFWFLSA-N 367.474 3.616 0 1 FHAF O=C(NCC12CCN(CC1)CC2)c1ccccc1-c1nc(Cl)cs1 49785041 RFNHQDSZIYDXKH-UHFFFAOYSA-N 361.898 3.679 0 1 FHAF COc1ccc2c(c1)[C@@H](NC(C)=O)[C@H](C)[C@@H](c1ccccc1)N2C(C)=O 96018430 FDATVWQNKUJWIS-ZEWGMFERSA-N 352.434 3.616 0 3 FHAF CC[C@]1(c2ccn(C)n2)N[C@H](C)Cc2ccc(F)c(Br)c21 587762831 GJUCPICLTQIBNW-QLJPJBMISA-N 352.251 3.510 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1sc(N4CCCCC4)nc1C)[C@@H](C2)C3=O 587453450 WNWARMJPSGFXOC-KBXCAEBGSA-N 370.474 3.939 0 1 FHAF COc1cc(/C=C/c2nc3cncc(OC)c3[nH]2)ccc1Br 586976388 JAGSCPXWTKHSRU-GQCTYLIASA-N 360.211 3.908 0 1 FHAF Cc1nc2[nH]c(-c3cc(F)c(F)c(N)c3F)nc2cc1Br 587137031 PMGJHIRXAXSUJP-UHFFFAOYSA-N 357.133 3.695 0 1 FHAF O=C(O)/C=C/C=C\c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 587966281 AVRFWHHBRZHLPV-HSFFGMMNSA-N 361.117 3.998 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3ccc(Cl)cc3n1C)O2 587380904 XVRWJKFSVVELHS-LJQANCHMSA-N 355.825 3.998 0 1 FHAF CN(C)C(=O)Cc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1772615163 VNBVSOWLOXNTDM-UHFFFAOYSA-N 365.330 3.790 0 1 FHAF COCCNc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1 1772593750 CEPJCCLZWMLLAB-UHFFFAOYSA-N 354.389 3.556 0 1 FHAF COc1ccc(-c2nc3ncccn3c2-c2ccc([S@@](C)=O)cc2)cc1 5889306 QNROICIQMVMZAH-SANMLTNESA-N 363.442 3.809 0 1 FHAF COc1ccc(C(=O)[C@H]2CCCN(C(=O)/C=C/c3ccccn3)C2)c(C)c1 11753948 LIIUOUBOXJQALH-YRYLYKBFSA-N 364.445 3.533 0 3 FHAF O=c1c(O)ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)c1O 13775886 PBENIDJHUPQZDC-UHFFFAOYSA-N 366.213 3.868 0 1 FHAF Cc1cc(CNCc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1 169346025 IFXNTLVHYFNBDV-UHFFFAOYSA-N 357.461 3.965 0 1 FHAF COc1ccc2c(c1)CC[C@@]1(CCCCN1CC(=O)c1ccccc1)C2=O 207877632 OGQYPJIMVYVGOQ-QHCPKHFHSA-N 363.457 3.932 0 1 FHAF Cc1nc2ccccc2c2oc(C(=O)NCCN3CCCC[C@H]3C)cc12 4902798 UTJCXGBYVFOGTA-CQSZACIVSA-N 351.450 3.894 0 3 FHAF COc1ccc(-c2nnc(O)c(C(C)=O)c2-c2ccc(OC)cc2)cc1 29208349 PTLPFYQEXPTMMT-UHFFFAOYSA-N 350.374 3.736 0 1 FHAF Cc1ccc(Cn2c(S)nc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 29330270 JPGTWUFHTRCNPE-UHFFFAOYSA-N 367.400 3.557 0 1 FHAF CCOc1ccccc1NC(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)C1CC1)C2 100979990 ZTHSQQIGYNUIGN-IRXDYDNUSA-N 371.481 3.529 0 3 FHAF O[C@](Cn1ccnc1)(c1ccc(F)cc1)c1ccc(Br)cc1 26940811 KFQOPYPXFREYFN-KRWDZBQOSA-N 361.214 3.721 0 1 FHAF COc1cc(O)c2c(c1C=CC(C)(C)O)O[C@@H](c1ccccc1)CC2=O 2356568030 DTIQAJRSEBJNKG-QGZVFWFLSA-N 354.402 3.891 0 1 FHAF CCC(=O)N(c1c(F)c(F)c(F)c(F)c1F)[C@H]1CCC[C@H]1N(C)C 28239352 SAIDPJNHMVNROB-BDAKNGLRSA-N 350.331 3.608 0 1 FHAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(F)c3)nn21 473106531 XNPZDDKYIFICGX-CYBMUJFWSA-N 369.371 3.962 0 1 FHAF FC(F)(F)Oc1cccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 587118181 KEZLEKQRPRLTOF-UHFFFAOYSA-N 364.249 3.920 0 1 FHAF Oc1ncnc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc12 586974200 CQRQIJPZKQOXLB-UHFFFAOYSA-N 359.998 3.795 0 1 FHAF O=C(O)c1cccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587166918 DNCOZMWVROCLPD-HNNXBMFYSA-N 368.368 3.769 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ncccc4F)o1)[C@@H](C2)C3=O 587426391 MNKZISGWPIXMPV-YUNKPMOVSA-N 351.333 3.978 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(N)cc32)N1 587747141 PGAAOABDLBODGU-MLCYQJTMSA-N 361.258 3.894 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)c(N)c1)O2 587378935 WZPLHZFSWIHNNI-KRWDZBQOSA-N 361.239 3.803 0 1 FHAF O=C(CCc1nc2c(Cl)cnc(Cl)c2[nH]1)Nc1cccc(F)c1 587163661 UDRYXZBBCWGEOD-UHFFFAOYSA-N 353.184 3.975 0 1 FHAF CC(=O)N[C@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(C)cc1 587207755 URSALKIUWDQWJX-GFCCVEGCSA-N 363.248 3.993 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)N1C[C@H](C)O[C@H](C)C1)CC2=O 587473989 BLPSVBZIQDKFJO-BIENJYKASA-N 361.482 3.566 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(F)cc4)c1)[C@@H](C2)C3=O 587427938 KCMXKNAAEGPIIT-OXJNMPFZSA-N 350.349 3.509 0 1 FHAF CSc1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 586978670 ASGZYFMVBOMRAH-UHFFFAOYSA-N 351.273 3.909 0 1 FHAF CC(C)(C)Oc1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(N)cc1F 587136318 NFGBTBPJCZDOKP-MRXNPFEDSA-N 357.389 3.852 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](CNC(=O)OC(C)(C)C)C(C)C)O2 587387213 OPSKPRBJMLNICS-YOEHRIQHSA-N 362.470 3.708 0 1 FHAF CC(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587700310 ALEQVOARZOLOCQ-FUXBKTLASA-N 368.168 3.859 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc([C@H]4CCCO4)s3)c3cccc1c32 963038577 WISRMALRSIGJJK-ASNKJTAVSA-N 354.475 3.742 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)c2ccccc2-c2ccc(O)cc21 962935464 ZRYMWJLBXMPCHJ-XMMPIXPASA-N 370.452 3.512 0 1 FHAF NC(=O)c1c(F)ccc(OCCCCCn2cnc3ccccc32)c1F 1772643055 YODKBWWBEYRVBL-UHFFFAOYSA-N 359.376 3.663 0 1 FHAF NCCc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12 14975927 DCLULEWKNCWYMQ-UHFFFAOYSA-N 369.273 3.686 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(OC)c1 169723950 KUCNRBSKLXDTRH-FUHWJXTLSA-N 373.449 3.658 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(C)cc1 169723983 WNSQPPAIAVFJAU-AEFFLSMTSA-N 357.450 3.958 0 1 FHAF CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 169729886 BBDCPBDRXQVELJ-RTBURBONSA-N 366.417 3.670 0 1 FHAF NC(=O)N(O)Cc1ccc(OCCc2csc(-c3ccccc3)n2)cc1 600939 IBHZSJMRGMJDIN-UHFFFAOYSA-N 369.446 3.702 0 1 FHAF COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O 3994461 DPCWHZBPEGAYOV-INIZCTEOSA-N 374.799 3.590 0 1 FHAF O=S(=O)(NCc1ccc(F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 6929929 YRRJOSJPJDRSII-UHFFFAOYSA-N 358.438 3.664 0 1 FHAF O=c1cc(Cn2c(C3CCC3)nc3cccnc32)c2ccc(F)c(F)c2[nH]1 59097156 KRSHPNSDLBPOPO-UHFFFAOYSA-N 366.371 3.867 0 1 FHAF CCn1nccc1NC(=O)Nc1cc(C(C)(C)C)sc1C(=O)OC 26671166 AGHQYQMRXARTNV-UHFFFAOYSA-N 350.444 3.693 0 1 FHAF Fc1ccc2c(-c3nnc(N[C@@H](c4cccnc4F)C4CC4)o3)c[nH]c2n1 103247497 OIBUTVCVLWVDLE-CQSZACIVSA-N 368.347 3.849 0 1 FHAF c1ccc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)cc1 101637697 UQSCBZYWISCZMJ-BCDXTJNWSA-N 362.502 3.995 0 1 FHAF OC[C@@H]1CC[C@H](n2cnc3c(NC4CCCCCC4)cc(Cl)nc32)O1 27318090 GXUKERFUHADYJZ-XJKSGUPXSA-N 364.877 3.889 0 1 FHAF COc1ccc(F)cc1-c1cc(C(=O)NCc2cccc(Cl)c2)[nH]n1 61903008 SBZTUNINXRTXBH-UHFFFAOYSA-N 359.788 3.808 0 3 FHAF Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1cc(C(=O)NC(C)C)no1 61895960 AQRYCZSWJDDAQG-KRWDZBQOSA-N 373.428 3.628 0 3 FHAF CC[C@@H]1CC[C@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@@H]2C1 28524133 GFCJYZOTVBIKKT-AXAPSJFSSA-N 370.474 3.976 0 1 FHAF CC[C@@H]1O[C@H](c2ccccc2)O[C@]1(C)[C@H](O)[C@@H](C)COC(=O)C(C)(C)C 2356696796 RSHFRKZYSDAHHN-ODKKXURNSA-N 364.482 3.856 0 1 FHAF O=C(Nc1ccc(Cl)cc1)c1cccnc1[S@](=O)Cc1ccncc1 64559114 BMELFXAUFHHIJW-VWLOTQADSA-N 371.849 3.690 0 1 FHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 34212559 JJUQMZALXVFLHF-IPONSJIBSA-N 372.553 3.768 0 1 FHAF C=CC1=C(C(=O)NCCc2ccc(F)cc2)[C@H](c2ccc(OC)cc2)OC1 73219512 LHBXNNDWFRLAHU-NRFANRHFSA-N 367.420 3.747 0 1 FHAF COc1ccccc1NC1=C(c2ccc(Br)cc2)C(=O)OC1 72119682 PDRRBPIVMILZPT-UHFFFAOYSA-N 360.207 3.838 0 1 FHAF COc1ccc(-c2csc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1 45284701 XLUYIWLHEXFLTE-UHFFFAOYSA-N 373.430 3.600 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C[C@H](NCCF)[C@H](CC(C)C)CN1CC2 96308873 YMERYCTWSIREBR-NEWSRXKRSA-N 364.505 3.597 0 1 FHAF CCOC(=O)c1c(-c2cccc(OCC)c2)[nH]c2cc(OC)ccc2c1=O 95556330 OKRMQSDORUSWSS-UHFFFAOYSA-N 367.401 3.779 0 1 FHAF COc1nccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587018117 VTEAAXBBMDYEQX-UHFFFAOYSA-N 350.403 3.692 0 1 FHAF CN(C)/C=C1\c2nc3cccc4c3c(c2CCN1C(=O)OC(C)(C)C)CC4 587212778 QUQWNKCOBGKLAY-QGOAFFKASA-N 365.477 3.987 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587153340 YTQMIYDQMUDEJS-OLZOCXBDSA-N 362.401 3.906 0 1 FHAF Cc1c(O)ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587608634 MDFNTHNBVPGYOZ-LAUBAEHRSA-N 364.353 3.815 0 1 FHAF Nc1ccc(/C=C\c2nc3cccc(I)c3[nH]2)cc1 587251935 ROSGGLIJAFCZOB-TWGQIWQCSA-N 361.186 3.920 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)nc2)N1 587738419 OGXLEJOWSAXXCD-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587068918 FZPMZJVMSGWLKG-LLVKDONJSA-N 366.812 3.569 0 1 FHAF COC(=O)c1ccc2c(c1)CCCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587399099 IPNVMFLXEYGVHN-JOCHJYFZSA-N 365.429 3.951 0 1 FHAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3csc4c3CCOC4)nc1-2 587031582 IVPDHXIAUQEHEU-UHFFFAOYSA-N 360.748 3.778 0 1 FHAF CCCCOc1cc2nc(/C=C/S(C)(=O)=O)[nH]c2cc1Br 586922832 CPZMFVAPQLMWHP-FNORWQNLSA-N 373.272 3.520 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(Br)cn1)[C@@H](C2)C3=O 587416389 AFGKDMTZEWFTPE-SGTLLEGYSA-N 374.234 3.824 0 1 FHAF CCC[C@]1([C@H](C)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589833 ARAJORJODVLGMO-GQNMWPQZSA-N 370.401 3.702 0 1 FHAF O=C(O)c1cccc2c1CCN[C@@H]2c1c(F)cc(C(F)(F)F)cc1F 963128973 CDSPNZGRQJPKCN-HNNXBMFYSA-N 357.278 3.917 0 1 FHAF CCOC(=O)c1ccc([C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)cn1 963098046 FWWXBLPILCIKAV-KKSFZXQISA-N 354.425 3.681 0 1 FHAF Cc1oc(-c2cccc3ccccc23)nc1C(=O)N1CCC(CO)CC1 1772642348 LIDXJEHZHKUNOM-UHFFFAOYSA-N 350.418 3.648 0 1 FHAF COc1cc(Br)cc2c1[C@H](Cc1ccccc1O)N(C)CC2 13805152 DLXCJDASYOASBG-HNNXBMFYSA-N 362.267 3.935 0 1 FHAF CCC/C=C1/CCCO[C@@](C(=O)NCc2cc(C)n(C)n2)(C(F)(F)F)C1 13828987 QYYAJYTXHSTGBZ-ROOCWEIGSA-N 373.419 3.573 0 3 FHAF COc1cc2c(cc1O)[C@H]1[C@H](C)c3ccc(OC)c(OC)c3CN1CC2 14930650 UABBYTGYXLXVNA-MPBGBICISA-N 355.434 3.635 0 1 FHAF biogenic C[C@H]1C[C@H](C)CN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1 766872 NPNXVDAIEHULFX-KBPBESRZSA-N 366.440 3.943 0 1 FHAF O=C1NNC(c2ccc(Br)cc2)=C[C@@H]1c1c[nH]c2ccccc12 2497344 CJDRMKMEDVDIFP-CQSZACIVSA-N 368.234 3.690 0 1 FHAF Cc1noc(C)c1C(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1 4238042 HHXYDJKCWCRQHH-UHFFFAOYSA-N 353.466 3.814 0 1 FHAF COc1ccc(-c2noc(NCCCN3[C@@H](C)CCC[C@H]3C)n2)cc1OC 6935944 HYKOHJXNGSFSGZ-GASCZTMLSA-N 374.485 3.819 0 1 FHAF CC1(C)CCC[C@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O 101678257 MTWKHJUQYFVCHB-OAHLLOKOSA-N 362.857 3.642 0 1 FHAF Cc1cc(C(=O)N2CCOC[C@@H](Oc3ccccc3)C2)c(C(F)(F)F)o1 2356287681 NWVPXNOLGYEQPI-AWEZNQCLSA-N 369.339 3.527 0 1 FHAF O=C1c2cc(Cl)ccc2Oc2ccccc2C12CCN(CCO)CC2 60051842 VCBNZQURDRAJQY-UHFFFAOYSA-N 357.837 3.655 0 1 FHAF COc1ccc([C@@H]2Oc3c(OC)cc(C=CCO)cc3[C@@H]2C)cc1OC 2356690027 JRYJEMVPVZEOPW-RNODOKPDSA-N 356.418 3.955 0 1 FHAF CCOc1c(OC)ccc2c1CN1CCc3cc(OC)c(OC)cc3[C@H]1C2 2356744624 XQVKBLZSKXPBPC-GOSISDBHSA-N 369.461 3.767 0 1 FHAF Cc1nc2ccc(F)c(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1NC1(C)CC1 222354743 HNGYLMVBNQDLKS-SECBINFHSA-N 365.412 3.841 0 1 FHAF CNC(=O)c1ccc(-c2cccn3nc(Nc4ccccc4OC)nc23)cc1 148193395 ZURNMMAFVYXNHL-UHFFFAOYSA-N 373.416 3.508 0 1 FHAF CC1=CC[C@@]2(C)C(=O)C[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 238731439 WKEWZJPWSKTADE-OZROYSPXSA-N 372.461 3.640 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([S@](C)=O)cc1)CC2=O 587493511 ROZTVOHDYLDDIR-CPJSRVTESA-N 358.459 3.963 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)c(N)c2)N1 587744485 BTKMNMDVVNMMLI-VVVCHXIZSA-N 364.262 3.550 0 1 FHAF N=c1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c[nH]1 587150042 JSFSXYCBHKJLOA-SFHVURJKSA-N 352.344 3.817 0 1 FHAF COc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1F 586997090 MUWAENRWIWGSLU-CQSZACIVSA-N 351.175 3.555 0 1 FHAF CCOC(=O)[C@H](CC)[C@]1(COC)CC(=O)c2ccc3c(c2O1)CCCC3 587520561 FIUFCUXALPEUAC-LAUBAEHRSA-N 360.450 3.505 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(C(=O)O)cc31)CC2=O 587490284 RGHCYLVABLWNQH-NRFANRHFSA-N 352.386 3.850 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(C)cn1)[C@@H](C2)C3=O 587411187 BZWXJMRXZIBMMF-APPDUMDISA-N 360.207 3.650 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587080437 MVOLMHLIQGKBAS-QGZVFWFLSA-N 356.809 3.998 0 1 FHAF COC(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC 587352305 WWIFMYIDYIRGQW-ICSRJNTNSA-N 360.381 3.658 0 1 FHAF CCOC(=O)c1ccc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2c1 587937990 RVGDYEZYQRFGNA-KPZWWZAWSA-N 354.406 3.585 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(F)cn1)[C@@H](C2)C3=O 587427203 HTKDAELKBKSKBG-HTAPYJJXSA-N 361.372 3.921 0 1 FHAF CN1CCN(c2ccc3nc(-c4ccc5ccccc5c4N)[nH]c3c2)CC1 587253746 OMRHCFKMBHJPIK-UHFFFAOYSA-N 357.461 3.717 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)O2 587386834 LNOLUTQYPBKARB-CYBMUJFWSA-N 362.470 3.947 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCCn3cncc32)[C@H]1c1ccc(F)cc1 587334672 FRTPBQWOYZCLQO-FPOVZHCZSA-N 364.376 3.776 0 1 FHAF N[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(F)cc1F 587149315 DWOQSZSVXFKWPM-VIFPVBQESA-N 373.588 3.700 0 1 FHAF N=c1cc(-c2nc3ccc(Br)c(O)c3[nH]2)c2ccccc2[nH]1 587253950 NYBSVLIJJICLMQ-UHFFFAOYSA-N 355.195 3.659 0 1 FHAF CCc1ccccc1NC(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 587650593 OLBQVKZHWNHLBU-UHFFFAOYSA-N 356.447 3.695 0 1 FHAF Cc1sc2c(c1C)CCN[C@@]21[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]1[C@H]3C2 963018503 GHEFRCNGLVXGCW-LYGIDKHMSA-N 374.550 3.981 0 1 FHAF CN1[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1[C@@H](O)C2 13643531 NRKFYDQWSIYFGJ-HAGHYFMRSA-N 359.416 3.667 0 1 FHAF C=CC(=O)Oc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC 1857560302 KGSSTDJWZGLALN-UHFFFAOYSA-N 351.358 3.661 0 1 FHAF CC(C)(COC(C)(C)C)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857590113 SOBXNSZXUHKICP-UHFFFAOYSA-N 351.454 3.514 0 1 FHAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCc4ccccn4)cc3)c12 1857744107 NKERSCIZJJSCTF-UHFFFAOYSA-N 358.405 3.650 0 1 FHAF O=C1CCCC=CC[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2C=C[C@@H](CCc2ccccc2)O1 253634343 RIBUBQDYGJHEOM-CSEOROSGSA-N 370.489 3.575 0 1 FHAF c1cn(-c2ccc(Oc3nccc(Oc4ccc5c(c4)OCO5)n3)cc2)cn1 593137 XPXGYINSBORUMM-UHFFFAOYSA-N 374.356 3.976 0 1 FHAF in-vivo Cc1c(-c2ccccc2)oc2cc(OC[C@H](O)CNC(C)C)ccc2c1=O 29555298 OUIJNYOMOAKOST-QGZVFWFLSA-N 367.445 3.506 0 1 FHAF CCN1CCN(C(=O)C23C[C@@H]4C[C@H](CC(Cc5ccccc5)(C4)C2)C3)CC1 101113789 WEEDVZDWNMVNFV-WXYTXABISA-N 366.549 3.980 0 1 FHAF CC(C)Sc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O 28950993 GLYAFWXRPXOSQB-UHFFFAOYSA-N 351.280 3.841 0 1 FHAF Cc1ccc(Nc2cnc(-c3cccc(C(N)=O)c3)c(C)c2)c(C(=O)O)c1 113898438 KSZWWJUAXPOVGG-UHFFFAOYSA-N 361.401 3.906 0 1 FHAF CSC=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@@H]2C1 2356641177 HFJJFBMNBYVNKQ-GWTQPYIESA-N 350.480 3.863 0 1 FHAF CCCC(=O)N1CCC[C@@]1(C)C(=O)N(C)Cc1cccc2ccccc12 61926192 NVFNTWRXZPEOPE-QFIPXVFZSA-N 352.478 3.979 0 3 FHAF CC[C@H](CO)Nc1cc(NCc2ccccc2)n2ncc(C(C)C)c2n1 141228040 DPQCCKVYNVNRCN-MRXNPFEDSA-N 353.470 3.648 0 1 FHAF CC1=C(C)C[C@@H]2C(=O)c3ccc(Br)cc3S(=O)(=O)[C@H]2C1 36388419 ZBHJNVWDNOPZEP-STQMWFEESA-N 355.253 3.534 0 3 FHAF CN1[C@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccccc4)cc13)C2 73199710 IFBOMCGSZBBKMP-IFXJQAMLSA-N 366.486 3.703 0 1 FHAF c1cc2c(cc1OC[C@H]1CCOC1)CCC1(CCN(C3CCC3)CC1)O2 73224758 GMOSEDOBJNKJRU-KRWDZBQOSA-N 357.494 3.814 0 1 FHAF O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-c2ccncc2)c[nH]c1=O 71329065 WAIOVSUPNWJFNW-UHFFFAOYSA-N 374.444 3.680 0 1 FHAF C[C@H]1CCC[C@@H](C)N1CCN[C@@H]1c2ccccc2OCc2ncccc21 40514680 ATMKCXWXGQDJKI-JKSBSHDWSA-N 351.494 3.916 0 1 FHAF O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(F)cc2)c2ccccc12 45357715 NIXIDRMTZZYDMN-UHFFFAOYSA-N 359.360 3.986 0 1 FHAF C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCC1CCCCC1 82070442 STEPHWQFWFPSMH-CQSZACIVSA-N 371.506 3.625 0 1 FHAF CC[C@H](C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc21 653785867 DLMGTRZZQCQEHQ-ZDUSSCGKSA-N 351.406 3.837 0 1 FHAF COC(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803737 BVRDWRLPJHKSAV-MGPLVRAMSA-N 358.251 3.537 0 1 FHAF CCOC(=O)Cc1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1 586878513 FTMPIBTYMQNOTQ-CSKARUKUSA-N 350.374 3.537 0 1 FHAF COC1=Cc2nc3ccc(O)c4c3c(c2[C@H](C(=O)O)C1)-c1ccccc1C4=O 586990116 AFAVYEYPNJXEIN-CYBMUJFWSA-N 373.364 3.711 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccc(O)cc1)(c1ccccc1O)[C@@H](C2)C3=O 587448570 FTDUTXFUJUYMOD-MBSDFSHPSA-N 374.392 3.798 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)(C(=O)OC)CC2=O 587476295 AWVYVZGSVUTSFP-QFIPXVFZSA-N 368.429 3.855 0 1 FHAF COC(=O)c1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2c1OC 587200966 CKDIRSPJGAYPDE-UHFFFAOYSA-N 369.421 3.714 0 1 FHAF O=C(n1nc2cc1Oc1ccc(F)cc1-2)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 587874575 FLPUIJNLANRTJU-MUUFFUEKSA-N 354.381 3.766 0 1 FHAF CCOCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587442981 SDARDEURRZMGRF-IERDGZPVSA-N 354.402 3.729 0 1 FHAF Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)c1C 587755288 OMZMJVBVJMDBFI-AYVTZFPOSA-N 352.251 3.562 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)cc1)CC2=O 587475894 QRHMMWBJDGVSPG-NRFANRHFSA-N 367.445 3.888 0 1 FHAF C[C@H](O)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586892081 SDRRJASSRUGBAL-NSHDSACASA-N 361.239 3.828 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H]1C[C@H]2CCC1=O 587601231 CIKKJCFEOQDVKC-OGMTXWBYSA-N 364.397 3.872 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2nccn2C)(C2CC2)N1 587757839 WABSAWCBQTZTRG-QGHHPUGFSA-N 364.262 3.510 0 1 FHAF Cc1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2n1 587001957 CAARLOXXANOBDC-SNVBAGLBSA-N 372.222 3.664 0 1 FHAF C[C@@H]1C[C@]2(CC[C@H]1O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349205 FLKGSOKALSZGCP-CKIIPLENSA-N 356.393 3.810 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(F)cc3[nH]2)cc1 587042920 NNNKERTXTXWCTG-KRWDZBQOSA-N 371.437 3.989 0 1 FHAF CC[C@]1([C@@H](C)CN(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571602 LZTWTODRALAECV-DHUIEDIVSA-N 355.434 3.700 0 1 FHAF Cc1nn(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587545658 HWAGOPJNYFHXSW-IFXJQAMLSA-N 370.792 3.790 0 1 FHAF Cc1cc([C@H]2c3ccsc3CCN2C(N)=O)c(C)n1Cc1ccncc1 962713272 UCYVGHJBWLLIIA-LJQANCHMSA-N 366.490 3.636 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cn(-c3ccccc3)nn2)N1 962943849 CYYCEQALKBMGBZ-NYHFZMIOSA-N 357.461 3.936 0 1 FHAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@H]1CC=C3 113208508 UAMTWZINZZRALQ-LLVKDONJSA-N 354.381 3.559 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Br)c2)C[C@@H]2CC[C@H]1N2C 13642587 CLDUXOXUODATIA-DRABBMOASA-N 372.690 3.842 0 1 FHAF COc1cc([C@@H]2CN=C(c3ccc4c(ccn4C)c3)O2)cc(OC)c1OC 1494624 VVXYHELHUZGLHK-IBGZPJMESA-N 366.417 3.722 0 1 FHAF COCCn1c(C)c(C)s/c1=N/C(=O)c1cc(SC)ccc1Cl 102982272 PNZWDJAFLKBLMT-FBMGVBCBSA-N 370.927 3.929 0 1 FHAF Nc1ccccc1-c1ccc(-c2cc(=O)cc(N3CCOCC3)s2)cc1 101077755 JTOCXWRSDNMWPY-UHFFFAOYSA-N 364.470 3.861 0 1 FHAF COC(=O)c1cc(C)cc(O)c1C(=O)c1c(O)ccc(CC=C(C)C)c1O 2356323508 LVMSQZHPAHGBAD-UHFFFAOYSA-N 370.401 3.638 0 1 FHAF COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@H]2N(C)C1 29485819 ISVOYYWZUYYPHT-QKYXUNIQSA-N 352.478 3.889 0 1 FHAF Nc1nc(C2CCN(C(=O)CCc3ccccc3)CC2)c2ccccc2n1 28760432 HXWDLMMYQHCCKX-UHFFFAOYSA-N 360.461 3.551 0 1 FHAF COc1ccc(S(=O)(=O)N2CCc3cccc(-c4ccco4)c32)cc1 114315722 MNGBLYPBBFKPOD-UHFFFAOYSA-N 355.415 3.707 0 1 FHAF C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 2356525154 UVVGWNHIKZRQLP-IJVNUPDKSA-N 372.505 3.524 0 1 FHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)(C)O)=C[C@@]3(O)CC[C@@H]21 2356596651 MSCQHAFYQSSUEH-WYZBVHOTSA-N 350.499 3.604 0 1 FHAF COc1ccc2c3c([nH]c2c1)C1=NCC[C@@]12c1ccccc1N=CN2CC3 2356731628 UFFPXXRIKROPQW-JOCHJYFZSA-N 356.429 3.796 0 1 FHAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)N21 12480341 YWVZSRSKYWCHBZ-GOSISDBHSA-N 359.429 3.792 0 3 FHAF biogenic COP(=O)(OC)[C@H](OC(=O)COc1cccc(F)c1)c1cccs1 35259306 GNRYRRZXSMUQBL-HNNXBMFYSA-N 374.326 3.994 0 1 FHAF COc1ccc(C(=O)[C@H](C)[C@@H](C)C(=O)c2ccc3c(c2)OCO3)cc1OC 14760167 AHYFOLSREXSDSJ-CHWSQXEVSA-N 370.401 3.770 0 1 FHAF biogenic COc1ccc(/C=C2\SC(=O)NC2=O)cc1OCCc1cccs1 139513793 AIPRXBJRTMKCGX-GDNBJRDFSA-N 361.444 3.702 0 1 FHAF CC(C)CN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1 82141938 VCPWFAXQOTWFRD-HZPDHXFCSA-N 370.497 3.947 0 1 FHAF CN(C)CCn1cc(-c2ccnc(NC3CCCCC3)n2)c2cccnc21 40567022 DZNJRJSPXVZQMV-UHFFFAOYSA-N 364.497 3.800 0 1 FHAF O=C(Nc1cccc2c1C[C@@H](O)CC2)N[C@H]1CC[C@H](c2ccccc2)C1 148530313 VDZTXFMUUMHYNW-FHWLQOOXSA-N 350.462 3.994 0 1 FHAF C[C@H]1CN(c2cc(/C=C/CO)nc3cc(F)c(Cl)cc23)C[C@@H](C)O1 96935460 YWRPHXMRUYEACS-ROUHBEFFSA-N 350.821 3.646 0 1 FHAF COc1ccc(/C=C2\c3cc(OC)c(OC)c(OC)c3CC[C@@H]2O)cc1 299867552 YGFKYBCDKORELH-RLGUWMIQSA-N 356.418 3.569 0 1 FHAF CCCCOC(=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790783 GOGHVXFMCKFSJD-HWPZZCPQSA-N 358.251 3.681 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4F)no1)[C@@H](C2)C3=O 587428198 XUNLDTPKHPHAFH-RBZFPXEDSA-N 351.333 3.978 0 1 FHAF C[C@]1(c2c(N)cccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554528 DPGLPNQGHMITME-WIYYLYMNSA-N 365.360 3.991 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587226254 XRXGGISYDLDLOT-VIFPVBQESA-N 365.767 3.578 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(O)ccc21 587404490 RCRBSHDSVMAWQX-HSZRJFAPSA-N 371.392 3.736 0 1 FHAF C[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](n2cncn2)C1 587516368 CHCTUCYEHSGXNI-RFVSGWPVSA-N 351.450 3.922 0 1 FHAF CC1=C(c2ccc3nc([C@H](C)Oc4ccc(F)cc4)[nH]c3c2)NNC(=O)C1 587169583 ZTJXNBIBSBSRDK-LBPRGKRZSA-N 366.396 3.598 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccccc1)([C@H]1CCCNC1)O2 587398890 GGPOWUPEBUANFA-MBSDFSHPSA-N 364.489 3.914 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ccnn23)N1 587795475 OWIIASBXWJVCAV-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)O)cs2)N1 587850567 ZVQMYUIOJZUAKO-WJWGPLDTSA-N 370.243 3.972 0 1 FHAF C[C@@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)N(C)C 587189528 COHSPHLFWOYFLP-ZETCQYMHSA-N 366.181 3.717 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(OC)cc1N)CC2=O 587473549 XJAHAISGAJFIQT-OAQYLSRUSA-N 371.433 3.825 0 1 FHAF CCCOc1cccc(Cc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)c1 587779302 YVURGNYQIRSOHV-UHFFFAOYSA-N 354.406 3.738 0 1 FHAF CCOC(=O)C(=O)C[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587525908 WIDOUBUMWCZMIB-QFIPXVFZSA-N 372.461 3.838 0 1 FHAF O=C1C[C@@H](c2nc3ccc(F)c(F)c3[nH]2)CN1Cc1ccc(F)cc1F 587147723 AUQFAFFFRRORPZ-SNVBAGLBSA-N 363.314 3.635 0 1 FHAF CCOC(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794799 GRRFKUVKWHQXPG-DIFFPNOSSA-N 372.278 3.927 0 1 FHAF N[C@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F 587157304 SGBMWYGUYUTTAK-QLJPJBMISA-N 351.303 3.942 0 1 FHAF CCC[C@@]1(c2cn(CC(=O)O)c3ccccc23)NCCc2c(C)ccnc21 963064642 BPGMZTSTMNABNB-QFIPXVFZSA-N 363.461 3.619 0 1 FHAF CCc1ncc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)[nH]1 962639737 LYRFXJRSTGCPLE-XXBNENTESA-N 358.489 3.808 0 1 FHAF CCOC(=O)[C@H](C)[C@@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962716952 UHCDVYFLLRVLOP-KSMMKXTCSA-N 351.487 3.604 0 1 FHAF CC[C@@]1(c2cc(C)ccc2OC)NCCc2ccc(C(=O)N(C)C)cc21 962922107 IIXOFYXNODOWKG-JOCHJYFZSA-N 352.478 3.505 0 1 FHAF O=C(NCc1ncc(-c2ccc(Cl)cc2)[nH]1)C1=Cc2ccccc2OC1 1772581401 VMBLIFIJRCJLIG-UHFFFAOYSA-N 365.820 3.822 0 1 FHAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(F)c(C(=O)c2ccccc2)c1F 1772607118 NIQPQGRAEGMQOO-BLLLJJGKSA-N 360.404 3.500 0 1 FHAF CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccncc3)N2C1=O 13527910 MCKYWXAYWISPGY-UYAOXDASSA-N 374.444 3.641 0 1 FHAF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccc(F)cc1Br 13651713 OPITXDMHTXIFLY-UHFFFAOYSA-N 354.175 3.551 0 1 FHAF O=C1CS[C@H](c2cccc(Br)c2)N1c1cccc(O)c1 169342619 HEHFNOUXZLNYKE-OAHLLOKOSA-N 350.237 3.933 0 1 FHAF Cc1nc(C(C)(C)NC(=O)c2cccc(-c3cccc(Cl)c3)n2)no1 206695280 KXYMJQFHXYKFSA-UHFFFAOYSA-N 356.813 3.759 0 1 FHAF CC(C)[C@H](CO)NCc1nc(N2Cc3cccc(Cl)c3C2)ccc1F 204412312 QRGGGPACMGQHFM-SFHVURJKSA-N 363.864 3.501 0 1 FHAF CC[C@H]1Oc2c(Br)cc(Cl)cc2[C@H]2CC(C)=NN2C1=O 1857634002 GMUBTUZIZDTPNF-VXGBXAGGSA-N 357.635 3.923 0 1 FHAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(F)cc2)cc1 602593 DVHLUSILYSNCAJ-UHFFFAOYSA-N 350.802 3.735 0 1 FHAF COc1ccc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2c1 1223890 JVYXBGSRHGYTMW-UHFFFAOYSA-N 353.403 3.563 0 3 FHAF COc1ccc(-c2noc(C(=O)O)c2[C@H](C)NC(=O)C2CCCCC2)cc1 2356302343 SGTINWFAFFGRHT-LBPRGKRZSA-N 372.421 3.806 0 1 FHAF Cc1ccc(-n2ncc(C(=O)NC3CCCC3)c2C2CCNCC2)cc1C 6943314 PYQAIGHKXLLTAY-UHFFFAOYSA-N 366.509 3.629 0 1 FHAF Nc1ccccc1-c1cccc(-c2cc(=O)cc(N3CCOCC3)s2)c1 101074599 KMPFLTGOHGRQTN-UHFFFAOYSA-N 364.470 3.861 0 1 FHAF COCCCN(CC[C@H]1C[C@@H]2CC[C@@H]1C2)C(=O)NCCCc1ccncc1 101849344 VQANCEKQLAYJEV-NJYVYQBISA-N 373.541 3.889 0 1 FHAF Cc1c(N2C[C@@H](C)C[C@H](C)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 27553737 ZSBVMWNWLPIDHB-STQMWFEESA-N 354.450 3.825 0 1 FHAF CCN1CCC[C@H]1CNc1ncnc2onc(-c3ccc(Cl)cc3)c12 20329718 CRBUWGABDPXDNM-AWEZNQCLSA-N 357.845 3.834 0 1 FHAF CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCN(C)CC2)cc1 22939501 ADYWDZJRWKEHMW-JOCHJYFZSA-N 365.521 3.505 0 1 FHAF CCNC(=O)C[C@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 28568692 DGCNLEJTGGXFLE-RRHOPFMGSA-N 355.478 3.570 0 1 FHAF in-vivo CO[C@]12C[C@@H]3CC[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@]3(C)CC1=C(C)C(=O)O2 2356688708 JRMPASZWXGEACK-DZHLENKCSA-N 362.466 3.927 0 1 FHAF Cc1nn(CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1[C@H]1[C@H](C2)C1(C)C 504279815 NQHRPUQJUPOLDQ-FKEBMKQQSA-N 355.526 3.914 0 1 FHAF biogenic COc1cccc(C2=N[C@](C)(CC(=O)Nc3ccc(C)c(C)c3)ON2C)c1 74373355 KNMQRMSTDNSYRM-NRFANRHFSA-N 367.449 3.681 0 3 FHAF O=C(NCCO)c1cc2c3ccccc3n(CCCc3ccccc3)c2cn1 49803422 FQELMEBVRZCIDQ-UHFFFAOYSA-N 373.456 3.544 0 1 FHAF CC(C)Nc1ncc2c(-c3ccccc3)nn(CC3CCC(N)CC3)c2n1 84653519 DVHKNGCCUGNVQZ-UHFFFAOYSA-N 364.497 3.831 0 1 FHAF COCCN(C)c1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cn1 96286528 WBSHWAUIXWEQHF-UHFFFAOYSA-N 365.433 3.985 0 1 FHAF COc1ccc(-c2nc3ccncc3c(=O)n2CCOc2ccccc2)cc1 230559966 BNGNVHGQPRZEII-UHFFFAOYSA-N 373.412 3.546 0 1 FHAF CC(C)=CCc1c(O)cc2oc(=O)c(-c3ccc(O)cc3O)cc2c1O 238786917 OKAGNTKYUWCRPY-UHFFFAOYSA-N 354.358 3.791 0 1 FHAF COc1cccc(-c2cc3ccc4c(c3oc2=O)C[C@H](C(C)(C)O)O4)c1 2382222124 OMZQQHVGGYXEMA-GOSISDBHSA-N 352.386 3.543 0 1 FHAF NC(=O)c1cccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587159703 UPDNLUYQHCWMIY-UHFFFAOYSA-N 371.375 3.807 0 1 FHAF C[C@H](O)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610489 GFFOQEAIRKUZCF-TUIFFPIZSA-N 368.410 3.692 0 1 FHAF Cc1ccnc2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc12 587258698 QYYUDPQXWFJJSY-KRWDZBQOSA-N 359.433 3.838 0 1 FHAF CC[C@@H]1C[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCO1 587616411 JPRQRIQGACJICP-BJIKLQPUSA-N 354.402 3.928 0 1 FHAF CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccc(N)cc4)c3O)c2)=N1 587936516 DGPUPTKBEUCMJR-UHFFFAOYSA-N 363.417 3.693 0 1 FHAF O=C(O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120606 QMRHRUOMJPDDAU-UHFFFAOYSA-N 364.205 3.689 0 1 FHAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(F)cc1)(C(=O)O)CC2=O 587466737 MMFHUBIXRJKOQN-FQEVSTJZSA-N 358.365 3.515 0 1 FHAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)CC 587399469 KCIMTQVJIZIPCY-GOSISDBHSA-N 369.417 3.998 0 1 FHAF Cc1nc(Br)sc1-c1nc2cc(Br)cnc2[nH]1 587010786 GDCMZAVBPRFYOG-UHFFFAOYSA-N 374.061 3.915 0 1 FHAF CCc1ccccc1NC(=O)c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 587240932 LNTOJQJAMOSDQG-UHFFFAOYSA-N 369.734 3.840 0 1 FHAF C[C@H]1c2nc3ccc(O)c4c3c(c2C[C@@H]1CC(=O)O)-c1ccccc1C4=O 586991287 SJEQVOAGXADRFF-GHMZBOCLSA-N 359.381 3.902 0 1 FHAF COc1cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2cc1F 587060573 JOAWXSJFBSJWMV-UHFFFAOYSA-N 369.787 3.901 0 1 FHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(C)ccc(C)c3[nH]2)cc1 586940765 FPRJHDANWBPONP-ZHACJKMWSA-N 355.463 3.578 0 1 FHAF COc1cc2c3c(c1)O[C@@](CSC(C)=O)(c1ccccc1)[C@@H](C2)C3=O 587448435 JASZYDHCANYNRH-JXFKEZNVSA-N 354.427 3.618 0 1 FHAF O=C(O)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351982 LLYSJOJREONJNS-MPKWNAGQSA-N 370.376 3.904 0 1 FHAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnc1O 587773220 XTJMDKGYMPAFOO-RFAUZJTJSA-N 351.219 3.621 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cccc(CC)c21 587486665 SKUZVDXQLKYPGM-OAQYLSRUSA-N 351.402 3.720 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C)nc3[nH]2)cc1 587040132 KLWGDYJDCRGHJO-MRXNPFEDSA-N 368.462 3.553 0 1 FHAF N=C(N)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587783017 VPEKFBZPLFOFTH-UHFFFAOYSA-N 358.401 3.799 0 1 FHAF C[C@]1(c2nccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554976 ZAGHLAYLBXPJSG-KUHUBIRLSA-N 368.776 3.713 0 1 FHAF COC(=O)C(C)(C)C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587808494 OFFQYWJLGFAKJO-CABZTGNLSA-N 358.251 3.753 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)ccnc2Cl)N1 587703159 FXEBKGQSJZLCLF-NXSYQRQQSA-N 370.653 3.842 0 1 FHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Cl)nc4[nH]3)cc2N1 587125370 DQMIWIWCRMYGJB-MUWHJKNJSA-N 356.739 3.782 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncn3ccccc23)N1 587771985 MRRMTOBNVKTCQX-MGPLVRAMSA-N 360.230 3.860 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccccc1Cl)CC2=O 587461398 KCNIWKFJBCYDHC-IBGZPJMESA-N 360.793 3.943 0 1 FHAF C[C@H](NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C1CC1 587660387 CDGNFPSYDKIROO-LBPRGKRZSA-N 367.449 3.724 0 1 FHAF Cc1nccc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)n1 962959053 QEUTVDBYJACWEC-KRWDZBQOSA-N 363.383 3.545 0 1 FHAF C[C@@]1(CCc2ccc(Cl)s2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962918588 IPYRMKKNAKCEFT-YOEHRIQHSA-N 353.846 3.988 0 1 FHAF O=C1CC[C@@](CCC(=O)N2CCCCCC2)(Cc2ccc(Cl)cc2)N1 12166511 WVTVJRYJPXWDTJ-HXUWFJFHSA-N 362.901 3.714 0 1 FHAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2c(F)cccc2F)C1=O 200049594 MOPCDRMHSYMDMU-SFHVURJKSA-N 372.415 3.584 0 3 FHAF Cc1nc(-c2ccccc2)cc(N2CC(c3nc4ccccc4n3C)C2)n1 205338543 FPOXZVKIZGKRJY-UHFFFAOYSA-N 355.445 3.943 0 1 FHAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3ccncc3)nn3ccnc23)n1 207412969 DXBCFWNYIRPKIG-OAHLLOKOSA-N 371.448 3.919 0 1 FHAF Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Nc4ccco4)cc32)cc1 1857585469 SUONQOFQAYZCSW-OAQYLSRUSA-N 362.385 3.744 0 1 FHAF Cc1c(C(=O)NC2CC2)sc(=O)n1Cc1ccc(-c2ccccc2)cc1 1857588270 XGCUGWWWUNSXKW-UHFFFAOYSA-N 364.470 3.826 0 1 FHAF CC(C)CCNC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2 3063291 VKPSDGQVZFPQMW-UHFFFAOYSA-N 372.896 3.820 0 3 FHAF Cc1cc(OCCc2ccccc2)cc(C)c1NC(=O)CN1CCCC1 3632168 RJUPHOSGURUYLR-UHFFFAOYSA-N 352.478 3.959 0 1 FHAF CC(=O)N[C@]1(c2ccccc2)C2=NCC3(CCCC3)CN2c2ccccc21 3778756 FDPUOZDJAAVITJ-QHCPKHFHSA-N 359.473 3.859 0 1 FHAF CCCCNC(=O)c1ccc2c(SCC(=O)O)c3c(nc2c1)CCCC3 4885241 UWNNFPPFTAJVGG-UHFFFAOYSA-N 372.490 3.820 0 3 FHAF Cc1cccc(CNC(=O)c2sc(=O)n(Cc3ccccc3C)c2C)c1 61896040 FRJGQUPKMPSBBJ-UHFFFAOYSA-N 366.486 3.813 0 3 FHAF O=C1CCC[C@@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@@H]12 29239301 KHSVWSHGEADZAR-APHBMKBZSA-N 364.218 3.537 0 1 FHAF CC(=O)N1C[C@@]2(CC(c3ccccc3F)=NO2)CN1c1ccc(Cl)cc1 61920885 HWAAMASHXDLYIT-IBGZPJMESA-N 373.815 3.626 0 3 FHAF Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2ccc3ccccc3c2)s1 66101316 NEWRPBLPJFLNQF-UHFFFAOYSA-N 372.342 3.609 0 1 FHAF CC(=O)c1ccc(O[C@H]2[C@H](/C=C/c3ccc(Cl)cc3)OC[C@H]2O)cc1 36384623 XEJQDFIMBZGRCD-JLPIWCJNSA-N 358.821 3.763 0 1 FHAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OCCF)[C@H](c1ccc(Br)cc1)C2 138898247 LEEXJBMYTWENTA-YHUYYLMFSA-N 370.262 3.528 0 1 FHAF OCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 72178934 HKRWABWYWRETGT-UHFFFAOYSA-N 354.881 3.724 0 1 FHAF COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 82081630 STZZPCSKSQCROO-KRWDZBQOSA-N 364.401 3.520 0 1 FHAF O=C(O)Cc1cn(-c2cncc(-n3ccc4ccccc43)n2)c2ccccc12 84669859 ZDYCIJOYVRTEPT-UHFFFAOYSA-N 368.396 3.992 0 1 FHAF CC(C)(O)CCC[C@]1(O)C(=O)c2ccccc2-c2nc3ccccc3nc21 42923232 VHNVYFPVBRLZTE-JOCHJYFZSA-N 362.429 3.622 0 1 FHAF CNc1ccc(/C=C\c2ccc(OCCOCCOCCF)nc2)cc1 145808877 YNDIAUKFXKEXSV-IHWYPQMZSA-N 360.429 3.675 0 1 FHAF fda CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C[C@@]3(C)O 238775755 CIIDMMPURFCERH-OWVRDFCESA-N 364.526 3.684 0 1 FHAF 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@H]12 238766290 ZXELCOUFXAXDQB-LMZJSVRGSA-N 372.461 3.552 0 1 FHAF C[C@H]1Cc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2CN1 143369503 ATNUFLGRYKJBDV-NSHDSACASA-N 361.850 3.953 0 1 FHAF CCOC(=O)N[C@@H](OC(=O)Nc1ccccc1)C(Cl)(Cl)Cl 68586494 HJNAJFKSOUUNJK-VIFPVBQESA-N 355.605 3.678 0 1 FHAF biogenic COc1cccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)c1 299835866 ZCPXGQGRCJYMLF-UHFFFAOYSA-N 359.433 3.582 0 1 FHAF CCOC(=O)Cc1ccc2[nH]c(C(=O)Nc3ccccc3Cl)nc2c1 587060403 LHMCTBABFHGUAM-UHFFFAOYSA-N 357.797 3.574 0 1 FHAF O=C1c2ccoc2CC[C@H]1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586906703 GNIHMMOKDCERBY-LURJTMIESA-N 370.718 3.558 0 1 FHAF OCc1ccc(F)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587140212 IYEAMZIVFTWHER-UHFFFAOYSA-N 356.582 3.672 0 1 FHAF COc1ccc([C@H](c2ccccc2)c2nc3cccc(C(N)=O)c3[nH]2)cc1 587937209 OLCAKLQGCMAMDI-IBGZPJMESA-N 357.413 3.851 0 1 FHAF O=C(O)C[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990933 ONOUXUQHAIZTOR-LLVKDONJSA-N 359.381 3.731 0 1 FHAF CCOC(=O)C[C@@]1(CC2CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443576 WIVBEUNDPOHWIU-IIBYNOLFSA-N 358.434 3.715 0 1 FHAF Cc1c(F)ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c12 587259177 DVLAPTVROINHHS-INIZCTEOSA-N 370.428 3.717 0 1 FHAF CCOC(=O)C[C@@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 587386183 TWDCUYOSZVSVGP-HXUWFJFHSA-N 357.381 3.530 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](O)C2(C)C)N1 587823084 SGIWKONNHQPNEO-PHEKWQANSA-N 356.279 3.889 0 1 FHAF O=C1C[C@H]2C[C@@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350090 HGMVMHYNRFKRND-YDACGWLXSA-N 352.361 3.628 0 1 FHAF Cc1ccc(NC(=O)CSCCc2nc3ccc(Cl)nc3[nH]2)cc1 586970524 LRNWCJJBBKZKMI-UHFFFAOYSA-N 360.870 3.834 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Br)cnc3[nH]2)cc1 587935245 HIHAJBPLVSPHEZ-YMTOWFKASA-N 362.227 3.566 0 1 FHAF C[C@@]1(c2ccnc(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336270 JVDMYPOGKZAFRY-CTNGQTDRSA-N 365.360 3.906 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)nc4ccccn14)[C@@H](C2)C3=O 587418866 DLEPQADCNRCBDU-HXPMCKFVSA-N 354.793 3.659 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3ccnc(Br)c3[nH]2)c1C 587239197 LMNOISMABOHINX-UHFFFAOYSA-N 359.227 3.518 0 1 FHAF O=C1CCc2cc3nc([C@@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3cc2N1 587077553 WFRKLWRXXBHQOW-KRWDZBQOSA-N 366.808 3.718 0 1 FHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@@H]1C(C)(C)[C@@H](O)CC[C@]21C 14774115 PRKBLPCDOOARTE-BHVCSQLQSA-N 362.466 3.871 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C5=NCCO5)CC[C@@H]4[C@@H]3CC[C@@H]12 169324044 MCQUWTXHJRSZGA-XETSRNHHSA-N 358.526 3.895 0 1 FHAF O=C1/C(=C/c2cccc(OCc3ccccc3)c2)N=C2SCCCN12 169329793 WYZZEBCEIWNKCQ-AQTBWJFISA-N 350.443 3.942 0 1 FHAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2ccc(F)cc2F)C1=O 200051434 MWMJFENLOBPWNA-LJQANCHMSA-N 372.415 3.584 0 3 FHAF COc1cccc(N(C)C(=O)[C@@H](C2CC2)[C@@H](O)c2ccc(C(C)=O)cc2)c1 203466909 AHCKUNAWJXDAIU-SFTDATJTSA-N 367.445 3.620 0 3 FHAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccsc1 775732 ULNGEJKWLZHWSH-DGCLKSJQSA-N 350.484 3.837 0 1 FHAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@H]1c1cccs1 6783186 OCBUKTRQGRFTJH-ZWKOTPCHSA-N 363.442 3.692 0 1 FHAF C[C@H](C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 10450453 IYHVJDWMCZYYNH-LLVKDONJSA-N 350.777 3.986 0 1 FHAF O=C1CS[C@H](c2c(F)cccc2F)N1c1ccc(Br)nc1 28712629 PORSVEDHOWKMRD-CQSZACIVSA-N 371.206 3.901 0 1 FHAF CCn1c(=O)c(C(=O)N(C)c2ccccc2)c(O)c2cc(SC)ccc21 101343344 HEIUICWWUXQAOA-UHFFFAOYSA-N 368.458 3.726 0 1 FHAF O=C1NC[C@H](c2ccc(C(F)(F)F)c(F)c2)N1c1ccc2[nH]cnc2c1 116829097 GEKJXKIWDRDNBM-OAHLLOKOSA-N 364.302 3.992 0 1 FHAF CCN1CCN(CC)[C@H](c2ccc(O)cc2F)[C@@H]1c1ccc(O)cc1F 22925814 QGRHXKBAWSXBSZ-BGYRXZFFSA-N 362.420 3.816 0 1 FHAF O=C(NCc1ccccc1)c1ccccc1-n1sc2ccccc2c1=O 64664098 WBEYUVOYQVFGNU-UHFFFAOYSA-N 360.438 3.982 0 1 FHAF CC(=O)N[C@@H]1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 26579911 HTPOYPQTFIKUDH-JOCHJYFZSA-N 350.462 3.757 0 1 FHAF CCCOc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1F 116829039 YNPGVERNVJCADR-QGZVFWFLSA-N 354.385 3.762 0 1 FHAF COc1ccc(Nc2nc(N)c(C(=O)c3cccc(OC)c3)s2)cc1 32947668 JGPJJAJSDDEWQZ-UHFFFAOYSA-N 355.419 3.717 0 1 FHAF C[C@H]1Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2C1(C)C 14825100 JTPIWPQEKWCNEL-SECBINFHSA-N 354.358 3.635 0 1 FHAF biogenic CC(C)CNc1ncnc2c1nc(-c1ccoc1)n2CCc1ccccn1 82177943 HWCPQISWNIEXSA-UHFFFAOYSA-N 362.437 3.792 0 1 FHAF Cc1ccc(F)c(C(=O)c2ccc3nc(NC(=O)C(F)(F)F)cn3c2)c1 49113482 IQTHOGZIWHAHOQ-UHFFFAOYSA-N 365.286 3.514 0 1 FHAF CCCS(=O)(=O)CCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N)CC2 141823997 SIPHFNMNWJYHIT-FGZHOGPDSA-N 371.546 3.654 0 1 FHAF COc1ccc(-c2csc(N)c2C(=O)OCc2ccncc2)cc1OC 96929340 QGNJUKZQNZTUQL-UHFFFAOYSA-N 370.430 3.767 0 1 FHAF CCc1ccc(Cl)cc1-n1cc(-c2ncnn3cccc23)cc1C(N)=O 143050239 WBGURWAKCQAEQW-UHFFFAOYSA-N 365.824 3.502 0 1 FHAF CCN1C(=O)c2ccccc2[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565895 QXKBILNFBVGWTN-MRXNPFEDSA-N 363.244 3.827 0 1 FHAF CC(C)n1nc(CCn2c(CCCO)nc3ccccc32)c2cnccc21 95586725 IBGPOUDSRIYGJX-UHFFFAOYSA-N 363.465 3.530 0 1 FHAF CCc1cccnc1Oc1ccc(-c2c(C)c(O)nc(=O)n2C)c(C)c1 261112208 IGIKAWALJWEVMD-UHFFFAOYSA-N 351.406 3.519 0 1 FHAF CC1=C(c2ccc3nc(CCc4ccccc4Cl)[nH]c3c2)NNC(=O)C1 587058161 FEVJNOZDDYMLQC-UHFFFAOYSA-N 366.852 3.757 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccncn1 587858872 OFUTUTFUKKULSH-UHFFFAOYSA-N 363.204 3.734 0 1 FHAF CCc1cc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)ccn1 587924276 PMMGTONZMXDKSX-UHFFFAOYSA-N 359.476 3.806 0 1 FHAF CC(=O)N1C[C@H]2CC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3cccc1c32 587399680 MZFQTDGFTRHSAA-JLCFBVMHSA-N 362.429 3.682 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ncccc4F)o1)[C@@H](C2)C3=O 587426390 MNKZISGWPIXMPV-FKIZINRSSA-N 351.333 3.978 0 1 FHAF Cc1c(Br)ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c12 587962799 ZIJVEWZIKHZYDF-UHFFFAOYSA-N 359.223 3.852 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 586935993 KZPKCKQMIYLHMK-LLVKDONJSA-N 363.870 3.960 0 1 FHAF CCOC(=O)[C@H]1CSCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587538566 PMERBNVHNSBCPG-OXQOHEQNSA-N 360.475 3.586 0 1 FHAF Cn1ncc(Br)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503221 NEKHAABYYASTMY-OAHLLOKOSA-N 361.239 3.768 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587231606 PLTIMLQFMKPMHM-LSDHHAIUSA-N 357.498 3.897 0 1 FHAF C[C@]1(c2ccc3c(c2)NC(=O)CO3)CC(=O)c2ccc3c(c2O1)CCCC3 587528136 XLBJNBFXMJJFNJ-JOCHJYFZSA-N 363.413 3.777 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(CC(F)F)c2)N1 587718307 NLJFJHVHPSUHPG-AYVTZFPOSA-N 374.204 3.673 0 1 FHAF O=C(c1cc(C2CC2)cc(C2CC2)n1)n1ncc2ccc(Cl)cc2c1=O 587651643 BYDCFTZCLCVRRE-UHFFFAOYSA-N 365.820 3.888 0 1 FHAF O=C1C[C@H](c2ccc(N3CCOCC3)nc2)Oc2c1ccc1c2CCCC1 587518553 LAQBBFPORRIOMU-HXUWFJFHSA-N 364.445 3.504 0 1 FHAF COC(=O)C(=O)[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587098208 PZWRWRIIPFLHBG-MRXNPFEDSA-N 371.392 3.527 0 1 FHAF Cn1ncc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc21 587581769 MLWUGYXENGPLJC-UGKGYDQZSA-N 372.380 3.982 0 1 FHAF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)C2=O 962727823 BCNYTCBBHMCWFV-YXUGBTPSSA-N 365.395 3.553 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@@]12CC(=O)c1ccc(O)cc12 962398141 LZOGXANVYFSAAO-OAQYLSRUSA-N 364.470 3.681 0 1 FHAF C[C@]1(c2ccc(C(F)(F)F)c(F)c2)NCCc2c(C(=O)O)cccc21 963128072 ZPCWOHKSGAKMHR-QGZVFWFLSA-N 353.315 3.952 0 1 FHAF CC[C@H](C)N(c1nc(C)nc2c1nnn2Cc1ccccc1)[C@@H](C)CC 201489017 JHKOFAUQEHPVRC-GJZGRUSLSA-N 352.486 3.981 0 3 FHAF COc1cc(CC[C@H](C[C@H](O)C2CCC(C)CC2)OC(C)=O)ccc1O 2356365952 VXHKXDWRWQUAIY-UNJRMKSESA-N 364.482 3.842 0 1 FHAF O=C1NC(=O)[C@@H](Cc2ccc(OCCn3ccc4ccccc43)cc2)S1 3828505 PCAZCAZVHLGDBA-GOSISDBHSA-N 366.442 3.614 0 1 FHAF NC[C@H]1CC[C@H](c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn32)CC1 102842035 BSCFXRGIRSAPIO-OKILXGFUSA-N 360.465 3.692 0 1 FHAF CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)ccc1O 103543383 LRZSVVMNWPUIGD-SFHVURJKSA-N 357.406 3.772 0 1 FHAF CC(C)C[C@H]1CNC(=S)N1CC1CCN(CCC2CCCC2)CC1 61936112 IJSVKDVBOWDRDG-IBGZPJMESA-N 351.604 3.884 0 3 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 29479110 VDSHRIABCYXDCJ-RNAPXVLBSA-N 353.506 3.979 0 1 FHAF CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)Oc2ccccc2)CC1 22460247 BJGCGXPXLXSBLO-QFBILLFUSA-N 373.522 3.604 0 3 FHAF CNC(=O)[C@@H](C)Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1 29471775 KLROUFYBFJAKAP-LLVKDONJSA-N 357.797 3.589 0 1 FHAF CN1CCC[C@@H]1Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 28461233 ARMHUQQMXHTFEW-QGZVFWFLSA-N 354.475 3.515 0 1 FHAF CN(CCOc1ccc(-c2ccccc2)cc1-c1nccs1)CC(=O)O 28958363 JNULKGVUYDWVMQ-UHFFFAOYSA-N 368.458 3.872 0 1 FHAF CC[C@]1(c2ccccc2)OC(=O)C[C@@]1(Cc1ccc(OC)cc1)C(=O)OC 73167319 IJLFWJKLZPQOTO-FCHUYYIVSA-N 368.429 3.650 0 1 FHAF C/C(=C\CO)CC/C=C(\C)C(=O)OC/C=C(\C)CC/C=C(\C)C(=O)O 71294903 QOEZNNVCUUKXPK-KXXJHGMOSA-N 350.455 3.952 0 1 FHAF CCCc1c(Cn2ccnc2-c2c(F)cccc2F)ncn2ccnc12 136009155 GFWPDWYNKPMUCK-UHFFFAOYSA-N 353.376 3.872 0 1 FHAF COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC(C)C)cc1 96286199 RWVPKZVHNKOTQF-XDOYNYLZSA-N 352.390 3.518 0 1 FHAF CN1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 95874754 JADFJDJVZNGIFR-MQMKPAFKSA-N 362.517 3.711 0 1 FHAF O=C(Nc1cnn(Cc2ccc(F)cc2F)c1)c1cc(-c2ccco2)on1 621476128 PTNUTOHWGDOWOG-UHFFFAOYSA-N 370.315 3.710 0 1 FHAF CC(C)[C@@H]1C(=O)C2=C3C4=C5C(=CCC[C@@]5(C)CC[C@@]31C)C(=O)N4CCO2 85827452 XEMIVKIPBNRHQX-YKAGIRRDSA-N 353.462 3.749 0 1 FHAF biogenic CN(C)C(=O)CCC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 299820571 BRTQQOZXMMJNLX-JTQLQIEISA-N 374.662 3.695 0 1 FHAF CCOC(=O)c1cc(-c2csc(=Nc3cccc(SC)c3)[nH]2)on1 473091425 XRKLRLHCOGLMLI-UHFFFAOYSA-N 361.448 3.862 0 1 FHAF CCOC(=O)[C@H](C)[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 587412219 IEZLQHPTWWXLDB-BUXKBTBVSA-N 359.447 3.699 0 1 FHAF CC(=O)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587813141 BGFFJVZTPVPFHC-ZMZPIMSZSA-N 362.242 3.955 0 1 FHAF O=Cc1cc(C=O)c(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531970 JCWRWXVEKIUKRR-LJQANCHMSA-N 350.370 3.603 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nonc12 587588380 KILHXZMYNHGAKI-OXJNMPFZSA-N 360.325 3.631 0 1 FHAF Cc1cc(C)c2[nH]c(C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 587094104 JXWWAFRMMPHIOT-HNNXBMFYSA-N 355.385 3.937 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ncc(Br)s1)[C@@H](C2)C3=O 587449755 GZYHBJHGKUUDOS-BJOHPYRUSA-N 366.236 3.577 0 1 FHAF c1ccc(C[C@@H]2N[C@H](c3nc4cc5c(cc4[nH]3)OCCCO5)CS2)cc1 587041234 LTGSFAUTMRMIBK-QFBILLFUSA-N 367.474 3.671 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1cncnc1)O2 587378001 LTJIFBNELIPVIK-FQEVSTJZSA-N 365.820 3.930 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC[C@@H]3CCCO3)c1)O2 587412729 OFBMQQJPPGFUSM-JXFKEZNVSA-N 353.418 3.842 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ncc[nH]1)[C@@H](C2)C3=O 587422459 PZEKAIGQFLRAQT-YWZLYKJASA-N 366.804 3.763 0 1 FHAF Brc1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2n1 587016877 OYOZKKMPBBUKOF-VIFPVBQESA-N 351.229 3.695 0 1 FHAF Nc1ccc(/C=C\c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587251164 AGILFIMYFLNHRV-UTCJRWHESA-N 358.195 3.776 0 1 FHAF CC[C@@]1(C2CCNCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587791579 GNBYEBNPFHVPSB-DIFFPNOSSA-N 355.295 3.727 0 1 FHAF C[C@@H](O)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610491 GFFOQEAIRKUZCF-XSXHMXBXSA-N 368.410 3.692 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C=O)n(C)c2)N1 587753054 HMERBSWKQZNPMZ-BTDLBPIBSA-N 365.246 3.537 0 1 FHAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(C)c4[nH]3)cc12 587039426 XQXSJXHTLABQAU-LLVKDONJSA-N 353.451 3.619 0 1 FHAF CCc1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1Br 586976988 JHLPYNPBZRWZBT-UHFFFAOYSA-N 369.226 3.531 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(CC(C(=O)O)C3)C2)N1 587824690 CMJCTWOIDGXTKB-VKGMQXSMSA-N 368.246 3.593 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cc(O)ccn4)c1)[C@@H](C2)C3=O 587437419 ZYCQGNJUKPMZSX-JTSKRJEESA-N 359.381 3.952 0 1 FHAF CCOC(=O)[C@H]1CCSCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587538116 NPENGHDQPBMFQK-DYESRHJHSA-N 374.502 3.976 0 1 FHAF Cn1nc(C(F)(F)F)c([C@H]2c3c(F)cccc3C[C@H]3CCCN32)c1F 963095921 DVJWDWXFYPSWDW-QMTHXVAHSA-N 357.326 3.827 0 1 FHAF COc1ccc2oc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cc2c1 963233586 PAKPLRJNQCRUNP-GHTZIAJQSA-N 374.396 3.678 0 1 FHAF CC[C@@]1(c2c(C)nn(C)c2C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962628895 QSAKPSUSDZBZAX-ZSEKCTLFSA-N 357.498 3.584 0 1 FHAF CCc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962971047 SHSZEJAIAAMACE-SJCJKPOMSA-N 355.768 3.636 0 1 FHAF CCC(CC)NC(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1C 205711907 MFIZPDQTWZNSAB-HSSOGYSNSA-N 350.503 3.861 0 3 FHAF Cc1cc(F)ccc1NC[C@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 142170830 OMCSKQTWNQXPRF-WMZOPIPTSA-N 362.470 3.633 0 1 FHAF O=C1[C@H](N2CCC[C@@H](c3ccc(O)cc3)CC2)CCN1Cc1ccccc1 1772615145 NCAFFUYLUZFZJF-DENIHFKCSA-N 364.489 3.763 0 1 FHAF COc1ccc(Oc2ccc(-c3noc([C@@H](C)NC(C)=O)n3)cc2)cc1 1772570397 STVSMWGEXFHZBE-GFCCVEGCSA-N 353.378 3.735 0 1 FHAF COC(=O)CCCCN1C(=O)[C@H](C)N=C(c2ccccc2)c2ccccc21 1772622360 UTWXDUJKSQGGAG-INIZCTEOSA-N 364.445 3.602 0 1 FHAF CCCCCCNC1=NS(=O)(=O)c2cc(Cl)c(Cl)cc2N1 13648645 KGVQOCNDRJLOMD-UHFFFAOYSA-N 350.271 3.634 0 1 FHAF Cc1cccc2c1CCN2CCNC(=O)Nc1ccccc1Br 14973963 DEQZZWCPUAPZPE-UHFFFAOYSA-N 374.282 3.942 0 1 FHAF O=C(Nc1cccc2c1C[C@@H](O)C2)N[C@@H]1CC[C@@H](c2ccccc2F)C1 169704949 CWCHZORHHWEPPM-OAGGEKHMSA-N 354.425 3.743 0 1 FHAF Cc1ccc(-n2cnc3cc(C(=O)NC[C@H]4CCCO4)ccc32)cc1Cl 3025693 UXRSCUXNIGBVAM-MRXNPFEDSA-N 369.852 3.896 0 1 FHAF COc1cccc(-c2cc(NCc3ccc(OC)cc3OC)ncn2)c1 4239208 RFKPNWRWMOIEHN-UHFFFAOYSA-N 351.406 3.782 0 1 FHAF COCc1ccc(O)cc1CCN1CCCC[C@@H]1[C@H](O)c1ccccc1 2356356610 MYTOTPYYDYGXFE-FGZHOGPDSA-N 355.478 3.669 0 1 FHAF CC[C@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)N(C)c1ccc(Cl)cc1 102081974 ABANHPVMOWARPS-XYJFISCASA-N 350.890 3.723 0 1 FHAF CCOc1cc(NC2(CCCN)CC2)c2nc(C(F)(F)F)ccc2n1 28826052 QYSMZOBQRVUCSN-UHFFFAOYSA-N 354.376 3.731 0 1 FHAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1 116814595 CWFWVONQCHIWTH-UHFFFAOYSA-N 373.338 3.811 0 1 FHAF c1cc2c(cc1[C@@H]1OC[C@@H]3[C@H](c4ccc5c(c4)COC5)OC[C@H]13)COC2 2356507119 XCVUGMGVUGLJDA-CMOCDZPBSA-N 350.414 3.822 0 1 FHAF C[C@@]12CC3CC(N4C(=O)C(=O)N(c5ccccc5F)C4=O)(C1)C[C@](C)(C3)C2 1911585983 HJYIIHZGFYBGAC-SWOGZVPRSA-N 370.424 3.870 0 1 FHAF COC1CCC2(CC1)Cc1ccc(OCC3CC3)cc1[C@]21N=C(C)C(N)=N1 210676146 DSCREMQTOOAGKC-JHJOLFGTSA-N 367.493 3.591 0 1 FHAF O=C1CCc2ccc(cc2)Oc2cc(cc(Br)c2O)CCN1 36473345 ZDPNXGGQOSNLLU-UHFFFAOYSA-N 362.223 3.552 0 1 FHAF COc1ccc2c(c1)c1c(n2CCN2CCOCC2)-c2ccccc2CC1 31894796 MACHPZBLQHWORH-UHFFFAOYSA-N 362.473 3.748 0 1 FHAF COc1cc(C=O)c([C@H](c2ccc(OC)c(OC)c2)[C@@H](C)C(C)=O)cc1O 14694292 KKCASOTYIFBECW-QKVFXAPYSA-N 372.417 3.588 0 1 FHAF biogenic C=Cc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1 220460628 XVGLYOBCLYKDHK-UHFFFAOYSA-N 353.443 3.840 0 1 FHAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3ccccc3)n2)C1 82214634 CENSAHVTHGUIBI-HZPDHXFCSA-N 364.493 3.766 0 1 FHAF CN1CCc2cc3ccn(S(=O)(=O)c4cccc(Cl)c4)c3cc2CC1 40402866 AKBRLFXEFQHICT-UHFFFAOYSA-N 374.893 3.562 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 146839960 FHWOSRUUSHMKKA-CMCNVBFXSA-N 356.466 3.595 0 1 FHAF Cc1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 144901272 MSHURQRLHPBHCM-IBGZPJMESA-N 374.362 3.629 0 1 FHAF O=C(O)c1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082287 NAXZNHGIENEWQC-UHFFFAOYSA-N 368.780 3.815 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCn3c(O)nc4cccc1c43)CC2=O 587489537 MPOLLNXDJUXVGI-NRFANRHFSA-N 364.401 3.664 0 1 FHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(C)ccc(C)c3[nH]2)c1 586931043 SMOITVVFRJXCGG-UHFFFAOYSA-N 357.479 3.877 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2nccn2c1 587589540 XVPSBSMHJNMILZ-NQIIRXRSSA-N 358.353 3.743 0 1 FHAF CC[C@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582995 SLZZBPUAJYVEBB-WIYYLYMNSA-N 364.401 3.701 0 1 FHAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(F)c2[nH]1 586983312 AWOIFFSCLYAEKT-GFCCVEGCSA-N 352.182 3.846 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(C(F)F)n2)N1 587713043 BUZCNZOESFDWSA-UHLUBPPHSA-N 360.177 3.803 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)C(C)(C)C 587205321 PIDJZDIKIREMSO-HNNXBMFYSA-N 357.458 3.921 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)[C@H]3CCC[C@H]32)N1 587765415 CHEVRKWLFPOBMI-JPHJHBEYSA-N 367.306 3.822 0 1 FHAF COc1cc2nc(-c3sc(Br)nc3C)[nH]c2cc1OC 587011902 SQHYBXZZRDXYDG-UHFFFAOYSA-N 354.229 3.775 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587109816 VSQXIIVPOQBETB-CYBMUJFWSA-N 364.283 3.671 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccnc(Cl)n1 587655531 LRORLJSEYKRENN-UHFFFAOYSA-N 370.746 3.774 0 1 FHAF CS(=O)(=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587028364 UGZMEKYTMNUGAX-UHFFFAOYSA-N 355.444 3.757 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OC(C)=O)c1)CC2=O 587475713 CCUQBRYXJGSDHR-LJQANCHMSA-N 370.401 3.985 0 1 FHAF Cc1c(O)ccc2c1[C@@](CC1CC1)(c1ccc(Cl)cc1)N[C@H](C(=O)O)C2 963548095 DSLQOTFSJRYCKF-LAUBAEHRSA-N 371.864 3.997 0 1 FHAF O=C(Nc1cc(-c2ccncc2)[nH]n1)[C@H]1Cc2ccc3ccccc3c2C1 13493275 LOMXCXVWHDXWAC-KRWDZBQOSA-N 354.413 3.978 0 1 FHAF CC(=O)O[C@@H]1CCC(=O)[C@@]2(CC(=O)O[C@@H]2C[C@@H](C)CCCC(C)C)C1 1857602660 CKEVAWZRDULPIA-UQWBFEFOSA-N 352.471 3.826 0 1 FHAF COc1ccc(Cl)cc1[C@@]1(O)C(=O)Nc2cc(C(F)(F)F)ccc21 3928899 LMNFTYDGFXTVRA-OAHLLOKOSA-N 357.715 3.555 0 1 FHAF Cc1cccc(CNc2nc3nc(C)c(Cc4ccccc4)c(O)n3n2)c1 6207098 WCJJNCRIMSRZCF-UHFFFAOYSA-N 359.433 3.650 0 1 FHAF C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OC)cc3OC)c2c1 103297828 HTWQUJPHCWCSKV-UHFFFAOYSA-N 350.378 3.515 0 1 FHAF Cc1ccc(CN2CC[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C2)cc1 22940538 OQKNKMKMLVTZFW-DNQXCXABSA-N 364.533 3.810 0 1 FHAF COC(=O)c1cccc2[nH]c3c(C(N)=O)cc(-c4cccc(OC)c4)cc3c12 113201172 ZEOYOXBNCSQKJQ-UHFFFAOYSA-N 374.396 3.882 0 1 FHAF O=c1cc(-c2ccccc2Cl)oc2c(N3CCOCC3)ccc(O)c12 28639540 GFCSBMMSWASGMK-UHFFFAOYSA-N 357.793 3.656 0 1 FHAF CCNC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29413157 BQWMLHMOZSVPKK-LVLULNROSA-N 360.542 3.602 0 1 FHAF COC(=O)C1=CCCC(C)=CCCC(C)=C[C@H]2OC(=O)C(C)=C2C[C@H]1O 2356491822 QOFSQIDQLLDFQM-RTBURBONSA-N 360.450 3.545 0 1 FHAF CC(C)CCNC(=O)[C@@]1(C)CCN1Cc1ccc(-c2ccccn2)cc1 61906107 AHGWSSPTANVEEY-JOCHJYFZSA-N 351.494 3.875 0 3 FHAF Cc1nc(NCc2scnc2-c2ccccc2)cc(C2CCNCC2)n1 39515253 IDVBRFRSMXMHHA-UHFFFAOYSA-N 365.506 3.988 0 1 FHAF NC(=O)C[S@](=O)Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 35791106 ANKQWETZVZGFOB-QFIPXVFZSA-N 358.246 3.520 0 1 FHAF COC(=O)c1ccc(CC[C@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45231181 YVTGNCFOBBVCIR-LIRRHRJNSA-N 361.869 3.771 0 1 FHAF O=C(Nc1ccccc1F)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 40011726 VDTUGOIFCSENNM-CYBMUJFWSA-N 359.376 3.847 0 1 FHAF O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ncccn1 40420744 NOWBVGGTKVKUMY-UHFFFAOYSA-N 366.384 3.616 0 1 FHAF COC(=O)/C=C/c1ccc(C[C@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45315023 BZMKPFUJLLMWKQ-QPRPNDIKSA-N 373.880 3.780 0 1 FHAF CC(C)N1CCCC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O 199718788 DHODXISEYYYYRT-FQEVSTJZSA-N 350.462 3.873 0 3 FHAF CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@H]3C(=O)O[C@H]4N=C[C@@]12[C@H]43 238768667 GTUMUWSDRPQNEC-WPWOJVQNSA-N 373.493 3.751 0 1 FHAF C[C@H]([C@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C 255261600 QTNGLMWAVBOBLJ-LYSWRHGLSA-N 363.586 3.927 0 1 FHAF Cc1ccc(NC(=O)NCCCCNC(=O)N(O)c2ccc(C)cc2)cc1 68586718 DOGUTFNEIVTISA-UHFFFAOYSA-N 370.453 3.811 0 1 FHAF biogenic COc1cc([C@@]2([C@@H](C)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587526162 RWQLPQVXFIBKHH-DMZKTXOQSA-N 368.429 3.521 0 1 FHAF C=CC(=O)Nc1ccc(-c2nc3ncc(Br)c(C)c3[nH]2)cc1 587243657 IHQJQXMYVMVDGA-UHFFFAOYSA-N 357.211 3.820 0 1 FHAF COC(=O)C12CC([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)(C1)C2 587807083 KXVXKRBKHFKNFC-BXXFIXLXSA-N 368.246 3.507 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC(c1ccccc1O)(c1ccccc1O)O2 587404121 NMMGFAKIIYSDOD-UHFFFAOYSA-N 361.397 3.897 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c(C(=O)O)c1C(C)C)O2 587395289 ANLYOUFLRVXTEB-HXUWFJFHSA-N 356.422 3.916 0 1 FHAF Cc1cc(C)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 587113925 XDEPNRXOGJVXAR-UHFFFAOYSA-N 372.354 3.900 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(c3ccccc3C)CCOCC1)O2 587415282 ZKRXAKSCJIYHJO-FQEVSTJZSA-N 351.446 3.968 0 1 FHAF Cc1cc(F)cc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587504175 GHKAJMPVRPIHKP-NRFANRHFSA-N 351.377 3.826 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCN1C(=O)OC(C)(C)C)CC2=O 587474922 IITTVXFOYKRSBP-WMLDXEAASA-N 361.438 3.688 0 1 FHAF CN[C@H](c1cccnc1)c1nc2cc(Br)cc(Cl)c2[nH]1 587221774 IEDRJUQUMHTLAM-GFCCVEGCSA-N 351.635 3.683 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587800226 WDDHIALVQDQIMY-MOCULFSLSA-N 370.262 3.681 0 1 FHAF CCOC(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587075494 JRVGJQRLGZQXJK-UHFFFAOYSA-N 367.796 3.641 0 1 FHAF CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 587026173 SCKHSFUKGVNMFD-DAXSKMNVSA-N 361.492 3.873 0 1 FHAF Cc1ccc2c3c(cc(CC(=O)c4cnn(C)c4)nc13)-c1ccccc1C2=O 587098921 XDKOHTIDXLIGFQ-UHFFFAOYSA-N 367.408 3.914 0 1 FHAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587952900 DSSNFTQQADRIFL-LBPRGKRZSA-N 367.430 3.504 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023752 HGKMHVGZGQDGNQ-UHFFFAOYSA-N 361.473 3.818 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN[C@@H]3CCCC[C@H]32)N1 587797812 XIKSZUMGWFNTDT-CAHUOCRHSA-N 367.306 3.870 0 1 FHAF COc1cc2c3c(c1)O[C@@](C[C@H](C)C(=O)O)(c1cccc(F)c1)[C@@H](C2)C3=O 587426604 FERDOMBYUIDZDQ-VQDICGIKSA-N 370.376 3.588 0 1 FHAF Cc1ccc(C)c(Cc2nc3cc(I)cnc3[nH]2)c1 587959228 NGXXFEUPUWLODV-UHFFFAOYSA-N 363.202 3.770 0 1 FHAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H](CO)CC[C@]21C 1772656298 RUCUMAJZZYCVKB-QABJIJTISA-N 364.570 3.996 0 1 FHAF CN1C(=O)S/C(=C\c2cc3cc[nH]c3c(F)c2Br)C1=O 1857574861 ILHRONFMVJFECT-YVMONPNESA-N 355.188 3.736 0 1 FHAF O=S(=O)(c1ccccc1)n1ccc([C@@H](c2ccccc2)n2ccnc2)c1 5974700 NNLPAUMVENVOMJ-HXUWFJFHSA-N 363.442 3.559 0 1 FHAF COc1cc(Cl)ccc1OCc1cc(C(=O)N2CCCCCC2)no1 12030002 HVUHKFFNOMJCQL-UHFFFAOYSA-N 364.829 3.932 0 3 FHAF C/C=C1\CO[C@@](C(=O)NCc2ccccn2)(C(F)(F)F)C=C1C=C(C)C 13828932 UYMACEKYVJRSDR-UWUILNLYSA-N 366.383 3.868 0 1 FHAF OC[C@H]1CCCC[C@@H]1NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204422332 YUHXJANLWKXXEU-PBHICJAKSA-N 365.399 3.803 0 1 FHAF Cc1cc(OCC(=O)OCCN)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857762962 ZMTCNEGCZNOCMJ-UHFFFAOYSA-N 371.477 3.604 0 1 FHAF CN(C)C(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100912698 KZGZRFUHUPKRGX-PECFJJAXSA-N 365.304 3.948 0 1 FHAF COCc1cc(CNC2CCN(c3cccc(-c4ccco4)c3)CC2)n[nH]1 23380491 RDMIQLAXMFINGU-UHFFFAOYSA-N 366.465 3.575 0 1 FHAF O=C([C@@H]1[C@@H]2CC[C@H](C2)N1C(=O)CCCC(C1CC1)C1CC1)N1CCCC1 100771268 VPQCFOIXZVLOIW-OPYAIIAOSA-N 358.526 3.595 0 1 FHAF C=Cc1cc2c(cc1-c1cc3ccc(OC)c(OC)c3c(=O)n1C)OCO2 27522599 OAFRBBKOQSCMAI-UHFFFAOYSA-N 365.385 3.594 0 1 FHAF Cc1ccc(-n2sc3ccccc3c2=O)cc1C(=O)N1CCCCC1 64669670 HOWYMFFPKIUPOT-UHFFFAOYSA-N 352.459 3.987 0 1 FHAF O=C(c1ccc(C(=O)N2CCCCCC2)cc1)c1cnc2ccc(F)cn12 68245522 YBPAWHNMCWLDIZ-UHFFFAOYSA-N 365.408 3.721 0 1 FHAF COc1ccccc1N1CCN(Cc2coc(-c3cccc(C)c3)n2)CC1 72102755 RMTLTWDVHKVVLS-UHFFFAOYSA-N 363.461 3.981 0 1 FHAF CC(=O)c1ccc(Nc2nc3cc(C(N)=O)ccc3n2CC(C)C)cc1 82191632 BLAILGJAFRSQAG-UHFFFAOYSA-N 350.422 3.737 0 1 FHAF COc1ccccc1CN1CCO[C@]2(C1)CC(C)(C)Oc1ccccc12 40394089 NHTQUAHBSOZRFE-QFIPXVFZSA-N 353.462 3.984 0 1 FHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(F)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 40896176 QNPGKQWDLORNMM-ADGKCSTMSA-N 366.473 3.593 0 1 FHAF O=C(Cc1ccccc1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 43018253 QZWYQJYWTHDPMU-JOCHJYFZSA-N 362.448 3.912 0 1 FHAF COc1ccc(CNc2cc(-c3cc(OC)ccc3OC)ncn2)cc1 82160828 PQXWLRUUDGYUOD-UHFFFAOYSA-N 351.406 3.782 0 1 FHAF COc1ccc2c(c1OC)C(C)(C)N1CCc3cc4c(cc3[C@H]1C2)OCO4 95601222 PKGLJWDKMKATAA-MRXNPFEDSA-N 367.445 3.823 0 1 FHAF C[C@]12N=C3SCc4ccccc4CN3[C@H](c3ccccc3O1)[C@H]2CO 95784795 ACKAAXCMBGLBAY-POAQFYNOSA-N 352.459 3.563 0 1 FHAF C[C@H](CC(=O)O)NCCOCCN1c2ccccc2C=Cc2ccccc21 96929384 BBYXRTRMHMKFHR-QGZVFWFLSA-N 366.461 3.778 0 1 FHAF c1cc(C2=NCCN2)cc(-c2cccc(-c3cccc(C4=NCCN4)c3)c2)c1 96908122 DIJSWTNHLUPNPG-UHFFFAOYSA-N 366.468 3.720 0 1 FHAF COc1ccc(NC(=O)Nc2nc3ccc(F)cc3s2)cc1C(=O)O 653915612 CWZKDSSLLKMRNX-UHFFFAOYSA-N 361.354 3.786 0 1 FHAF CN1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336197 JMSQRVYZFKBNJZ-IALVJMBCSA-N 367.420 3.886 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)co2)N1 587831001 VANYFCVUDPKAPR-VPTHRUTESA-N 368.202 3.677 0 1 FHAF CC[C@@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342106 LTYYIZXBOUNJSD-FPOVZHCZSA-N 366.392 3.929 0 1 FHAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587195243 HCNWSXJQQZRQSY-INIZCTEOSA-N 363.509 3.533 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCC[C@H](C2)N3C)N1 587775159 RBRQMXBLOROKDC-XJQUKVTJSA-N 367.306 3.964 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC2OCCO2)N1 587830756 FQBOEZGKJHCMMG-GXFFZTMASA-N 358.251 3.707 0 1 FHAF CCN(CC)C(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587742151 QFQUSCVENSDFGN-PIGZYNQJSA-N 371.294 3.596 0 1 FHAF CN1[C@H]2CCC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586083 HFISLEQMTXDECI-YZVOILCLSA-N 365.429 3.739 0 1 FHAF CC(C)n1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587761324 AKVTYEYJXGIRHR-MGPLVRAMSA-N 352.251 3.989 0 1 FHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccnc(Cl)c3[nH]2)cs1 587013916 FBVWJITVJNJFBK-UHFFFAOYSA-N 365.846 3.760 0 1 FHAF COc1c(F)ccc(-c2nc3cc(F)cc(Br)c3[nH]2)c1N 587132947 LIHFDLIMJJSJMS-UHFFFAOYSA-N 354.154 3.861 0 1 FHAF Cc1ccc([C@@]2(CN)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587749654 PXVNYPKCWMAUKP-KZULUSFZSA-N 363.274 3.633 0 1 FHAF CCN(c1ccc(-c2csc(-c3ccc(C)nc3)n2)cc1)S(C)(=O)=O 587923388 NZHFLYIIUNUVCW-UHFFFAOYSA-N 373.503 3.966 0 1 FHAF COc1ccc(C=O)c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)c1OC 587786049 GKHOVYIZJCTWOH-UHFFFAOYSA-N 352.177 3.761 0 1 FHAF CC(=O)Nc1cccc(Cc2nc3cc(Br)c(C)nc3[nH]2)c1 587241819 BBLVIZQCEWFYHJ-UHFFFAOYSA-N 359.227 3.578 0 1 FHAF Cc1cc2occ([C@H]3NCCc4c3c(C(C)C)nn4C)c(=O)c2cc1C 962920527 NDINMHVQSVYFFZ-HXUWFJFHSA-N 351.450 3.502 0 1 FHAF Cc1ccc(C(=O)C[C@@]2(C(F)F)NCCc3c(C(=O)O)cccc32)cc1 963131668 NLOHWEDRZSJVOK-HXUWFJFHSA-N 359.372 3.572 0 1 FHAF COc1ccc2c(c1)[C@]1(N[C@@H]3CC[C@H]23)c2ccccc2C(=O)c2ccncc21 962993398 ILMHOLVZWVGOAA-OHOZJJFFSA-N 368.436 3.776 0 1 FHAF O[C@@H]1CCN([C@@H]2CCCC[C@H]2OCCc2ccccc2C(F)(F)F)C1 208433576 JJQDBGFGKHAQKP-KBAYOESNSA-N 357.416 3.642 0 1 FHAF C[C@H]1Oc2c(NC(=O)N[C@H]3CC[C@H](c4ccccc4)C3)cccc2NC1=O 169704859 TWCGLMWGYCDORZ-KBMXLJTQSA-N 365.433 3.864 0 1 FHAF C[C@H](CCc1ccccc1)NC(=O)Cc1c(C(=O)O)[nH]c2ccccc12 201627 SESMMNJLRXONBQ-CQSZACIVSA-N 350.418 3.546 0 1 FHAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cc(F)cc(F)c2)cc1 592935 CMTBYFJMHRVZIE-UHFFFAOYSA-N 368.792 3.874 0 1 FHAF CC(=O)OCCCCn1cnc2c(Cl)nc(Nc3ccccc3)nc21 1646798 NRBDNMCXPOHNPO-UHFFFAOYSA-N 359.817 3.567 0 1 FHAF COc1cccc(NC(=O)CCC(=O)N2C[C@@H](C)Oc3ccc(C)cc32)c1 6797886 CQOFXJXSFILPNW-OAHLLOKOSA-N 368.433 3.536 0 3 FHAF C[C@@]1(C(=O)NCC2CC2)C=CC2(CCCCC2)N1C(=O)c1ccccc1 7992807 QFAWJSWNBLXVGD-NRFANRHFSA-N 352.478 3.686 0 3 FHAF O=C(NC[C@@H](c1ccccc1)n1ccnc1)c1ccc(Br)cc1 53294421 XZHBGIXXJLSHPH-KRWDZBQOSA-N 370.250 3.665 0 1 FHAF C[C@@H]1CCC[C@H](N2CC(=O)N(C3CC3)[C@@H](c3ccc(F)cc3)C2=O)[C@@H]1C 21146028 PLBMVQZTGBBZFH-ZLFYYGENSA-N 358.457 3.525 0 1 FHAF O=C(CCCC(=O)Oc1ccc(/C=C/[N+](=O)[O-])cc1)OCc1ccccc1 26188874 YBFQUMSUKDCEKY-BUHFOSPRSA-N 369.373 3.753 0 1 FHAF CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1C(C)(C)C(=O)CC[C@]12C 27190575 KXAUISWTCLJEAE-QFIPXVFZSA-N 370.445 3.975 0 1 FHAF OCCCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28091913 KXICMPQIFSWGAF-IRLDBZIGSA-N 372.459 3.542 0 1 FHAF COC(C)(C)[C@@]12C=C[C@@](C)(O)CCC=C(C)CC[C@@H](O)[C@@](C)(CC1)O2 2356788665 CHALLPMOTDQGLN-GFOJFJKKSA-N 352.515 3.908 0 1 FHAF CC=CC(=O)N(CCCC)[C@H](C(=O)NC1CCCCC1)c1cccnc1 2356835597 KTGVFPUDGGUDCN-FQEVSTJZSA-N 357.498 3.776 0 1 FHAF CC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCCCO4)s2)CC1 66113538 HFUKTZQWAYZMBA-UHFFFAOYSA-N 358.463 3.777 0 1 FHAF O=c1c2cc(Cl)ccc2nc(/C=C/c2ccccc2)n1-c1ncccn1 38895232 WOBHOTFARMFQTE-JXMROGBWSA-N 360.804 4.000 0 1 FHAF CC1=C(C(=O)OC(C)C)[C@@H](c2cscn2)N2C(=N1)Nc1ccccc12 1911581208 LECCKZCZUGVWQG-MRXNPFEDSA-N 354.435 3.712 0 1 FHAF O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(=O)[nH]c1 42921787 OUGADNFPBOBTNF-UHFFFAOYSA-N 368.383 3.605 0 1 FHAF CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2F)n1 82152708 SRXBYVUFUIKAIQ-GJZGRUSLSA-N 370.472 3.857 0 1 FHAF O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc2ccccc2c1 49116590 DIBPPQTZLFRDLN-UHFFFAOYSA-N 351.471 3.502 0 1 FHAF CCCCCNc1ncnc2c1nc(-c1ccoc1)n2C[C@@H]1CCCO1 82186295 VGFIIVLWQYIGHQ-HNNXBMFYSA-N 355.442 3.867 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(O)ccc1Br)[C@@H](C2)C3=O 587415043 ZVEHVVIHDREFNE-SJCJKPOMSA-N 361.191 3.652 0 1 FHAF Cc1nc(F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568624 HZCIKQYRBZQVCV-PXNSSMCTSA-N 351.333 3.938 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3OCCC[C@H]32)[C@@H]1c1ccc(F)cc1 587355515 DQMDIBYQTWADIY-LYSIVYOWSA-N 354.377 3.828 0 1 FHAF Cc1ccc(-n2cnnc2SCc2nc3cc(F)cnc3[nH]2)cc1Cl 586967945 JYKQIQSCGKMECR-UHFFFAOYSA-N 374.832 3.932 0 1 FHAF CCS(=O)(=O)c1ccccc1-c1nc2cc(OC)c(Cl)cc2[nH]1 586921517 BHTKBZNTCGQOKH-UHFFFAOYSA-N 350.827 3.686 0 1 FHAF CCn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587579998 GPDGIWCZCSPQOH-PXNSSMCTSA-N 350.374 3.620 0 1 FHAF COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1cccs1)[C@@H](C2)C3=O 587448694 BKHUTWBTCURVKN-DJJJIMSYSA-N 358.415 3.655 0 1 FHAF COc1cccc(-c2ncc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)c1 587434864 ADCKFUVKIUIBIC-UTKZUKDTSA-N 374.396 3.650 0 1 FHAF C[C@@H](c1nc2cc(=N)[nH]cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129164 SOCHPQVXTGJXIQ-BYPYZUCNSA-N 362.718 3.705 0 1 FHAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587572108 NJZPFTCOBBWFFM-WIYYLYMNSA-N 362.385 3.556 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3ccccc3cc2[nH]1 587230229 GSMLOSHFDPZBAV-SJORKVTESA-N 351.450 3.753 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4c(N)cccc41)[C@@H](C2)C3=O 587434676 YGSPIFTUGVDNBE-GAJHUEQPSA-N 355.393 3.949 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1cc(F)ccc1F)O2 587383084 XGRQGDKCGOUFJF-IBGZPJMESA-N 361.344 3.581 0 1 FHAF CC1=C(c2ccc3nc([C@H]4Cc5ccccc5S4)[nH]c3c2)NNC(=O)C1 587043426 ZLFVHPAEGPSHTF-QGZVFWFLSA-N 362.458 3.708 0 1 FHAF CCO[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCOCC2 587536929 YRNIGIHFNULWEG-KNQAVFIVSA-N 356.462 3.875 0 1 FHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](CCc2cnoc2)N1 963183212 OBGUIYZUIAAIMT-RYUDHWBXSA-N 374.746 3.620 0 1 FHAF Cc1ccc([C@@]2(c3ccccc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cn1 963035126 WIYRQCNZTBKGEU-MZNJEOGPSA-N 369.468 3.735 0 1 FHAF O=c1ccc2cc3ccoc3c(OCc3nncn3-c3ccccc3)c2o1 1772575266 RIDMVHYZEQOVHL-UHFFFAOYSA-N 359.341 3.699 0 1 FHAF CC(=O)C[C@]1(OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C(=O)Nc2ccccc21 5601596 AYRGLPVOHJUCOU-HZUJVAHNSA-N 355.434 3.595 0 1 FHAF Fc1ccc2[nH]cc(CCCNCCOc3cccc4c3OCC4)c2c1 13581113 QNXOAZXGMPAAMX-UHFFFAOYSA-N 354.425 3.843 0 1 FHAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H](O)C(C)(C)O2 13604641 UFWVSNZKEVMALD-ZWKOTPCHSA-N 373.836 3.546 0 1 FHAF COc1cc(/C=C/C(=O)Oc2ccc(C(C)=O)cc2)cc(OC)c1OC 5576177 QVWHUPVXKVTNOK-BJMVGYQFSA-N 356.374 3.534 0 1 FHAF COc1cc(C(C)C)c(C(=O)CSc2ncnc3[nH]cnc23)cc1C 1857550702 HPTPAZBBYWXCRI-UHFFFAOYSA-N 356.451 3.768 0 1 FHAF Cc1ccc(-n2nc(C)c3c2OS(=O)(=O)C[C@H]3c2ccccc2)cc1C 1857565095 JNSFRFCCNZHHQO-SFHVURJKSA-N 368.458 3.652 0 1 FHAF O=C(O)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1F 1857633850 QQCQJRCXBZYLDB-AWEZNQCLSA-N 355.287 3.790 0 1 FHAF CCCCS(=O)(=O)Nc1cccc(-c2cn(C)c(=O)c3ccccc23)c1 1857653513 HMKYYADNFMZACZ-UHFFFAOYSA-N 370.474 3.747 0 1 FHAF Cc1ccc(N2CCC(CCOc3ccc4nc(C)oc4c3)CC2)nn1 595122 KYBPNGBPIGDAOF-UHFFFAOYSA-N 352.438 3.920 0 1 FHAF COC(=O)CCCCCCC[C@@H](OC)[C@@H](O)CCCCCCCCO 2356388469 GUOYDYSJXRSPQF-RBUKOAKNSA-N 360.535 3.989 0 1 FHAF CCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCCCC3)c2c1 6721431 USXQVLMJVNKRMQ-UHFFFAOYSA-N 353.344 3.816 0 1 FHAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1OC 103964044 VPBPLIINLKZPEG-INIZCTEOSA-N 372.450 3.689 0 1 FHAF O=C(O)c1cnc(C(=O)CCc2ccc(COc3ccccc3)cc2)o1 29136282 UCEFMBAVESDXLY-UHFFFAOYSA-N 351.358 3.767 0 1 FHAF CC1(C)CCC[C@@H]1N1C(=O)CC(=O)N(CCc2ccc(Cl)cc2)C1=O 101678315 KCLRPHBXNOKMFE-HNNXBMFYSA-N 362.857 3.642 0 1 FHAF COc1ccc(C(=O)Cn2c3c(sc2=N)C[C@@H]2CCCC[C@@H]2C3)cc1 101794246 YNEUZJLJVACODT-CABCVRRESA-N 356.491 3.826 0 1 FHAF COc1ccc(C[C@@H](N)c2csc(Nc3cccc(OC)n3)n2)cc1 61908739 LRHSFUCIOCRPAT-CQSZACIVSA-N 356.451 3.541 0 3 FHAF COc1ccc(Cl)cc1CN1C(=O)[C@H](Cc2ccccc2)ON=C1C 61903806 IPXHNNQSSXILTL-SFHVURJKSA-N 358.825 3.652 0 3 FHAF COc1ccc([C@@H]2COc3cc(O)ccc3C2=O)c(O)c1CC=C(C)C 2356713870 UTOORUFRGMEGBJ-KRWDZBQOSA-N 354.402 3.974 0 1 FHAF CC(C)Nc1cc(-c2cc3c4c(c2)Oc2ccccc2N=C4NN3)nc(N)n1 142733262 GFGGFHITSYXLBI-UHFFFAOYSA-N 373.420 3.660 0 1 FHAF CCc1ccc([C@@H](O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 38307710 OKRLZODNLYGSIE-OAQYLSRUSA-N 371.440 3.973 0 1 FHAF NC(=O)c1sc2nc3c(c(-c4cccnc4)c2c1N)CCCCCC3 49067864 XQEJTEUHVLVODP-UHFFFAOYSA-N 352.463 3.698 0 1 FHAF COCCNc1ncc(C(=O)NCC2CCCCC2)c(-c2ccccc2)n1 82132841 VSGIVCUJGRLIPW-UHFFFAOYSA-N 368.481 3.512 0 1 FHAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4C)OCO5)OC[C@H]23)ccc1O 40873735 OFCHTGCBFRTISG-VUEDXXQZSA-N 370.401 3.513 0 1 FHAF biogenic O=C(NCc1c(Cl)cc(Cl)cc1CO)[C@@H]1CCCc2ncsc21 220887770 RMQVTJYUJRTDKI-LLVKDONJSA-N 371.289 3.679 0 1 FHAF CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@@H]4[C@@H](C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C 255273153 VKFMRYVPGACJBB-JGQIMZCMSA-N 374.613 3.941 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCN(C)C)c3ccccc13)O2 587388915 BRTVUGNTYUOQNR-OAQYLSRUSA-N 363.461 3.800 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C3CC3)nc2)N1 587772161 DTCFXWJWYQGWAV-ABKXIKBNSA-N 362.246 3.879 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1COc1ccccc1F 587566605 AAMIFPSSDCJFQC-MOPGFXCFSA-N 366.344 3.941 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1[C@@H](CC(C)C)C(=O)O)O2 587389729 IZJOEERIJXBGQS-WMZOPIPTSA-N 356.422 3.757 0 1 FHAF CCS(=O)(=O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586907565 MSNPBJNCDZAGNZ-UHFFFAOYSA-N 354.431 3.888 0 1 FHAF C/C(=C\[C@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587513416 SJFIQHHLPPGNGR-OWSFEGEDSA-N 363.461 3.682 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccccc1OC 587870754 QRBLQDRPRNWHFY-UHFFFAOYSA-N 369.396 3.849 0 1 FHAF Nc1ccc2c(c1)[C@@]1(C=CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581232 UYABJIYWFQMCFH-SIKLNZKXSA-N 373.364 3.738 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)([C@@H]1CCCNC1)O2 587401193 QRUBDCTZYSSSFM-VGOFRKELSA-N 350.462 3.524 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 587398391 GCDHJWBUQSRHRV-GFENJXEQSA-N 372.465 3.558 0 1 FHAF FC(F)(F)c1cnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587041994 REPXTUFFFJPWIT-UONOGXRCSA-N 364.396 3.923 0 1 FHAF Ic1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 586904970 FEZNZKNKJMSVIV-UHFFFAOYSA-N 350.159 3.916 0 1 FHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 587787443 VSGQQRARAWJJNS-RYUDHWBXSA-N 372.222 3.664 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(C)cc3[nH]2)cc1 586939437 OUJKFLSEYHZGET-LBPRGKRZSA-N 361.442 3.754 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCCN(Cc4ccccc4)C1)[C@@H](C2)C3=O 587445321 UWMXUUCRKNDELM-WMZHIEFXSA-N 363.457 3.868 0 1 FHAF CC(=O)c1ccc(Cc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587561872 VYCWWQOYBPAFKC-UHFFFAOYSA-N 371.396 3.896 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)N1CCSCC1 587864586 PMDPXXPKMRENDV-UHFFFAOYSA-N 371.384 3.594 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)c(F)ccc3[nH]2)cc1 586939390 NVNLYYWRSXYKML-LLVKDONJSA-N 361.442 3.754 0 1 FHAF CCn1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587579343 DKPZBTYGTAXOBT-PXNSSMCTSA-N 350.374 3.620 0 1 FHAF C[C@H](N)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575839 DQLWCDLGBCNROV-BPSNYSSFSA-N 361.397 3.597 0 1 FHAF Cc1c(C(=O)Nc2ccc(F)cc2)ncnc1N(C)Cc1ccc(F)cc1 1772572032 MLFMCGROGHDOHR-UHFFFAOYSA-N 368.387 3.952 0 1 FHAF CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCc1cccc(C(=O)O)c1 13585528 SUKPQDCQTRREQV-IALFWVKVSA-N 373.493 3.806 0 1 FHAF O=C(/C=C\c1cccc(C(F)(F)P(=O)(O)O)c1)OCc1ccccc1 13649132 KXXNKXXSLDHMSV-KTKRTIGZSA-N 368.272 3.670 0 1 FHAF CCC(=O)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O 13658249 XWHDXIGYLVLAJI-UHFFFAOYSA-N 364.445 3.518 0 3 FHAF O=c1oc(Cc2c[nH]c3ccccc23)c(O)n1Cc1cc(F)cc(F)c1 169713922 SNZAULYYGBIRKT-UHFFFAOYSA-N 356.328 3.546 0 1 FHAF c1cn(-c2ccc(CN3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)cc2)cn1 168384857 GIHXRNSTPNLAOS-FQEVSTJZSA-N 372.476 3.825 0 1 FHAF COC(=O)Cc1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1 1857639941 GFUKCIXVOZBJQK-UHFFFAOYSA-N 367.401 3.953 0 1 FHAF Cc1ccc2oc(=O)cc([C@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)c2c1 1857748440 ZGCMEFVETOOGKG-OAHLLOKOSA-N 374.348 3.649 0 1 FHAF O=C(O)c1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 100621036 JEDPWXJLYWDBNJ-XLIONFOSSA-N 360.413 3.588 0 1 FHAF C[C@H]1CN(c2ccccc2Sc2ccc(O)cc2)[C@@H](C)CN1CC(=O)O 28367205 PCQJAOOELCNQMN-GJZGRUSLSA-N 372.490 3.527 0 1 FHAF O=C(O[C@H]1CC[C@]23CCCC[C@H](C=C(CO)C[C@H]12)C3=O)c1ccccc1 27653135 BSIQRCOEQXOMFW-NXWNEQKCSA-N 354.446 3.690 0 1 FHAF NCCCN(C(=O)/C=C/c1c[nH]c2ccccc12)[C@H]1CCc2ccccc2C1 28825863 HYJZEWJCAKFIFB-KONDSOJQSA-N 373.500 3.916 0 1 FHAF COc1cc(C(=O)OC[C@H]2CCN3CCC[C@@]23C)cc(CC=C(C)C)c1O 2356516765 IYWSIDKNUJVAFH-GCJKJVERSA-N 373.493 3.941 0 1 FHAF O=S(=O)(NC1[C@H]2CC[C@@H]1Cc1ccccc1C2)c1ccc(Cl)cc1 28337528 SFQFCLCHGLZBPQ-MCPYQZEQSA-N 361.894 3.812 0 1 FHAF CC1=CCC(=O)CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@@H](C)C(C)=C[C@@H]3C1 2356722101 YBJMYHSWNAFAFV-VPNFFRDTSA-N 357.494 3.614 0 1 FHAF CO[C@H]1Oc2ccc3c(c2O1)CN(C)c1c-3ccc2cc3c(cc12)OCO3 2356730045 BRZXFPIICBTVFX-NRFANRHFSA-N 363.369 3.887 0 1 FHAF c1ccc(CNc2ccnc(N3CCN(C4CCCCC4)CC3)n2)cc1 71296720 ZVASSJWMNKVAED-UHFFFAOYSA-N 351.498 3.543 0 1 FHAF O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1cnc(OCC2CC2)nc1 72102763 VYIFSNYJXUNPHG-FQEVSTJZSA-N 367.836 3.598 0 1 FHAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH]n1 72124655 DQUQMZMGNGOBDI-UHFFFAOYSA-N 353.353 3.645 0 1 FHAF COc1ccc2ccc(=O)oc2c1[C@@H](OC(=O)C=C(C)C)C(=O)C(C)C 14500146 DKKNKODNHDPWFD-HXUWFJFHSA-N 358.390 3.577 0 1 FHAF biogenic COc1ccc2c(c1)[P@](=O)(O)OC(c1ccccc1)=C2Br 49113762 BABMFYTZKHXRGO-UHFFFAOYSA-N 367.135 3.757 0 1 FHAF CCOC(=O)c1cnc2ccc(OCC)cc2c1NC[C@@H]1CCCN1CC 45321406 JDTWWYUMTZWCLP-HNNXBMFYSA-N 371.481 3.706 0 1 FHAF O=C(O)c1cc(-c2ccc(F)cc2F)nc2c1cnn2Cc1ccncc1 95584259 FPRVRQOUXGKTBV-UHFFFAOYSA-N 366.327 3.518 0 1 FHAF COc1ccc(C2=NN(C(C)C)C(=O)C2(C)C)cc1OCc1ccccn1 95557305 NNPBQZBZFVFBMO-UHFFFAOYSA-N 367.449 3.650 0 1 FHAF Clc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587186063 ZKUJALVCFJXDHM-UHFFFAOYSA-N 355.566 3.883 0 1 FHAF CC(C)O[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655369 DNSYGECELONWPG-LBPRGKRZSA-N 372.371 3.795 0 1 FHAF CC(C)Oc1cc2nc(Cc3ccc(=N)[nH]c3)[nH]c2cc1Br 587253369 JSGZYJQVYLZDSF-UHFFFAOYSA-N 361.243 3.511 0 1 FHAF CCc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2C 587518280 DVZPGNZGFWRNLF-HSZRJFAPSA-N 361.441 3.965 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(F)(F)F)N1 587707064 SJSHNYWKBGLISJ-CPFSXVBKSA-N 368.168 3.859 0 1 FHAF Cc1nn(-c2cccc(-c3nc4cccc(C(N)=O)c4[nH]3)c2)c(C)c1Cl 587065202 MAPWLHQYPKHXLK-UHFFFAOYSA-N 365.824 3.785 0 1 FHAF Cc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H](C(=O)O)n2cncn2)cc1 587636037 PBSGNDKGEPZBDH-SFHVURJKSA-N 350.353 3.548 0 1 FHAF CCCN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587768170 LBHQBVRCHYMOKV-GFCCVEGCSA-N 355.295 3.824 0 1 FHAF CC[C@@]1(c2cnccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774951 OPFPEJAIHNTIOO-QFYYESIMSA-N 350.235 3.566 0 1 FHAF Cn1cc(-c2ncc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)s2)cn1 587021180 GGMSSFPUPVKKFN-UHFFFAOYSA-N 351.222 3.789 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCC4)nc1)[C@@H](C2)C3=O 587444433 PEHPKTCWBNRBCV-KKSFZXQISA-N 350.418 3.569 0 1 FHAF C[C@H]1N(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517239 JROHGBULBLZNSD-LRTDBIEQSA-N 357.450 3.909 0 1 FHAF O=C(O)CCc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O 587943167 ONPAIJSWFLGLIU-UHFFFAOYSA-N 358.221 3.856 0 1 FHAF Nc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587559823 ZHLPQNHHVBTGDI-YLJYHZDGSA-N 351.333 3.816 0 1 FHAF COC(=O)c1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cn1 587060830 NORSSRBAKQJXOT-UHFFFAOYSA-N 354.753 3.720 0 1 FHAF Cc1ccc(C)c(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587277060 XQQBRPAHIJJSKT-UHFFFAOYSA-N 360.207 3.930 0 1 FHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc5cn[nH]c5cc4[nH]1)(C3)C2 587951491 WHQJOWJLULECEY-BRRVFRNMSA-N 350.422 3.593 0 1 FHAF COCCCNc1nc(C)c([C@]2(C)NCCc3c2sc(C)c3C)s1 963013992 SMIBCNNJXMHOMJ-SFHVURJKSA-N 365.568 3.987 0 1 FHAF CCCCNCCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772582285 ZPXNSASHBAPYOY-UHFFFAOYSA-N 369.417 3.640 0 1 FHAF Cc1cccc(CN2CCC[C@]3(CCN(C(=O)C4CCCCC4)C3)C2=O)c1 12314847 IAIXMOLKZIOBLJ-HSZRJFAPSA-N 368.521 3.916 0 1 FHAF CCN(CC)CCNC1=N[C@@H](c2ccccc2)c2ccccc2CN1C 13600245 YMYQTWZTBUQRPW-NRFANRHFSA-N 350.510 3.509 0 1 FHAF O=c1[nH]c2ccccc2cc1-c1csc(C[S@@](=O)c2ccccc2)n1 14974794 UQSJZZMWPULVAA-VWLOTQADSA-N 366.467 3.959 0 1 FHAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OCC1CCC1 169304011 RHVDWJPVQPCSFY-UHFFFAOYSA-N 358.438 3.916 0 1 FHAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1c(O)cccc1O)O2 1857768731 PCCKCEBSWZXIQI-MRXNPFEDSA-N 356.374 3.724 0 1 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N1CCOCC1 4216477 SNVUVMVCBOOZCU-DLBZAZTESA-N 350.484 3.621 0 1 FHAF CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F 6411230 QCUXORFMMDLGEK-UHFFFAOYSA-N 367.808 3.646 0 1 FHAF C[C@@H]1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)C1 104190391 KGDVXSMYYHIJBO-HVETUWLQSA-N 374.484 3.782 0 3 FHAF Cc1nn(-c2ccccc2)c2nc(NN)nc(-c3ccc(Cl)cc3)c12 103223118 DHMQDTRSXJTDMN-UHFFFAOYSA-N 350.813 3.730 0 1 FHAF Cc1ccc(NC(=O)C(=O)O)c2ccn(Cc3ccc(O)c(C(C)C)c3)c12 103239825 QOWDVYZPDZEOEA-UHFFFAOYSA-N 366.417 3.850 0 1 FHAF CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1 103263566 GVLDWQRMURUXOQ-UHFFFAOYSA-N 357.845 3.707 0 1 FHAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 100298068 DBEPLOCGEIEOCV-AYLPJJBHSA-N 372.553 3.815 0 1 FHAF CCCc1c(C/C=C(\C)C/C=C/C(C)(C)O)[nH]c(=O)c(C)c1OC(C)=O 29131031 XQNDPJRVPWBECM-HVUCGZAQSA-N 361.482 3.767 0 1 FHAF CC(C)(CO)NCc1coc2cccc(OCC3CCCCC3)c2c1=O 53314085 YFTYZHMPFHEFCM-UHFFFAOYSA-N 359.466 3.613 0 1 FHAF CC(=O)Nc1ccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)cc1 114031264 YCCKDGUXWPCDCH-FQEVSTJZSA-N 360.461 3.880 0 1 FHAF CCN(CC)CCOc1ccccc1O[C@H](Cc1ccccc1)C(C)=O 27880522 AFESENZIXIFHHG-JOCHJYFZSA-N 355.478 3.986 0 1 FHAF CN1CCN(c2nc(-c3ccncc3)cc(-c3ccc(Cl)cc3)n2)CC1 28470489 FYUVVUCQFWSTHK-UHFFFAOYSA-N 365.868 3.611 0 1 FHAF COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)ccc1F 71315761 CWJKYYDHEMDTGZ-MRXNPFEDSA-N 350.349 3.684 0 1 FHAF O=C1N(Cc2cc3ccccc3s2)C[C@@H]2CN(Cc3ccoc3)CCN12 45334989 JMWFRKVOGVDVEB-KRWDZBQOSA-N 367.474 3.616 0 1 FHAF CCc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccccc2F)s1 82175657 FKYJZXXTLFCDQO-UHFFFAOYSA-N 370.453 3.805 0 1 FHAF O=C(Nc1ccc(C2=NCCN2)nc1)c1sc2ccccc2c1Cl 40949778 QQGAJBGTHMDAQP-UHFFFAOYSA-N 356.838 3.552 0 1 FHAF O=c1c(-c2ccco2)nnc2n(CCc3ccccc3)c3ccccc3n12 84653030 TYMRXESQMJNRFG-UHFFFAOYSA-N 356.385 3.547 0 1 FHAF COc1cccc(N(C)C(=O)c2ccc(N3CCc4ccccc4C3)nc2)c1 95591383 UIXOEQXNCSRZFI-UHFFFAOYSA-N 373.456 3.930 0 1 FHAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(COCC(=O)O)cc2)cc1 144754929 GQSYJJSGQPOWGN-QGZVFWFLSA-N 353.462 3.982 0 1 FHAF C[C@@]12CC[C@@H]3[C@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 256447840 UVVGWNHIKZRQLP-YVCUKZJRSA-N 372.505 3.524 0 1 FHAF C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 257767869 ZICGJBPBLVXOBM-CZFZXOLSSA-N 372.505 3.524 0 1 FHAF CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@H]4[C@H](C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C 255273152 VKFMRYVPGACJBB-IBVGICKKSA-N 374.613 3.941 0 1 FHAF Cc1ccc(CN2C[C@H](N(C)Cc3ccco3)[C@@H]3OCCC[C@@H]3C2)s1 299842405 PKPYAGDVZRASTE-LSTHTHJFSA-N 360.523 3.761 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@@H](C)O)N1 587847269 JYQGWHPELNSSGC-LYGAQUJYSA-N 370.287 3.808 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(C)c(C)c1)O2 587390998 QHUPBJVHEGBERA-OAQYLSRUSA-N 352.434 3.947 0 1 FHAF CCOc1ccccc1[C@](N)(c1nc2ccc(Cl)nc2[nH]1)C(F)(F)F 587092980 PWVLZMVVHXERHM-HNNXBMFYSA-N 370.762 3.775 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(Cl)cc3)n1)O2 587379294 HMMGAWPVVJDPRW-QGZVFWFLSA-N 354.797 3.518 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(CC(F)F)n2)N1 587720321 SJQXGGNOFNQFPL-VXJOIVPMSA-N 374.204 3.673 0 1 FHAF Cc1ncc(-n2c(O)cc(-c3cccc(F)c3)c2O)nc1Br 587942229 UHLFQGDDAURQKV-UHFFFAOYSA-N 364.174 3.556 0 1 FHAF COC(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC 587352307 WWIFMYIDYIRGQW-UYAOXDASSA-N 360.381 3.658 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cccc(Cl)c1)[C@@H](C2)C3=O 587419862 MYNAUXYGJDMFDE-YWZLYKJASA-N 371.820 3.884 0 1 FHAF Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587775480 QYTWAHTTWCBOGL-VPTHRUTESA-N 350.235 3.619 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Br)ncc3[nH]2)cc1 587935261 HKQXPHMTCHKFMX-RFAUZJTJSA-N 362.227 3.566 0 1 FHAF Cc1ncsc1CCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587027073 ORZYZDDSNGVRPP-UHFFFAOYSA-N 366.240 3.574 0 1 FHAF O=C1CCc2cc3[nH]c(-c4ccc(CNCc5ccco5)cc4)nc3cc2N1 587231981 JYSONQFRMVIQEH-UHFFFAOYSA-N 372.428 3.997 0 1 FHAF COc1cc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2cc1F 587064633 DVOJYOVWXWGAIG-UHFFFAOYSA-N 364.760 3.764 0 1 FHAF COC(=O)[C@H]1CCCc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587400146 ONSQJPAJIDQVGC-VGOFRKELSA-N 365.429 3.563 0 1 FHAF O=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2O1 587509985 TVJVFGCROOLNRZ-NRFANRHFSA-N 352.361 3.874 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cc(C(C)=O)cc(C(C)=O)c1)[C@@H](C2)C3=O 587445495 KGDBEETWYMOPPW-PGRDOPGGSA-N 364.397 3.763 0 1 FHAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc(S)c2)N1 962700240 QCASOCXZPVDRDV-LSDHHAIUSA-N 371.355 3.822 0 1 FHAF O=C(O)c1cccc2c1CCN[C@@]2(Cc1cc(F)ccc1F)C(F)(F)F 963143217 LGXMMQRUZSJNKT-QGZVFWFLSA-N 371.305 3.809 0 1 FHAF OCCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1 12352687 UCHQCSDTPQKAKL-UHFFFAOYSA-N 355.829 3.730 0 1 FHAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccoc12 13742606 MITVBOWRUQYOMP-UHFFFAOYSA-N 374.440 3.951 0 1 FHAF CCCC(=O)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 169315429 AWHHKTZQXWPGKA-LJQANCHMSA-N 356.809 3.799 0 1 FHAF CCCCCCNC(=O)Cn1cc(Cc2csc3ccccc23)nn1 169327271 QFJYZBCRJACCQD-UHFFFAOYSA-N 356.495 3.780 0 1 FHAF O=C(CNCC1(O)CCCCC1)N1CCc2ccccc2[C@H]1C1CCCC1 201385938 XCQAHAILAVTORR-JOCHJYFZSA-N 370.537 3.587 0 1 FHAF O=C(O)c1ccccc1SCc1cn(C/C=C/c2ccccc2)nn1 1857614089 NVMOAFOHAHUNBX-RMKNXTFCSA-N 351.431 3.982 0 1 FHAF CC1=Nc2nnnn2[C@@H](c2cccc(F)c2)/C1=C(\O)OC1CCCCC1 104115596 GUMSXYJEZCESMV-UYTDBDHRSA-N 357.389 3.627 0 1 FHAF COc1cc(N[C@H](C)CCCN)c2ncccc2c1OCC(F)(F)F 28218940 OBVKWEULMVEUGZ-LLVKDONJSA-N 357.376 3.724 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1cccc([C@H](C)N(C)C)c1)C2 28335361 GIDXPSSLLTWPAM-RBZFPXEDSA-N 355.434 3.513 0 1 FHAF CCc1ncn(CCC(C(N)=O)(c2ccccc2)c2ccccc2)c1CC 29486712 UJAWEHRMDZGNDU-UHFFFAOYSA-N 361.489 3.870 0 1 FHAF C[C@H](CN1C(=O)c2ccccc2C1=O)OC(=S)Nc1ccc(Cl)cc1 28522012 WFPXVABASCSJGH-LLVKDONJSA-N 374.849 3.738 0 1 FHAF COC(=O)[C@@]1(C)[C@H]2CC[C@@H]3[C@@H](OC(=O)CC(C)C)OC=C4C=C[C@H]1C[C@]432 2356668887 FNLVWVNGNLUSMJ-FQLWHVGXSA-N 360.450 3.598 0 1 FHAF CCc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 29229873 RCNINFKSPSHCHA-LJQANCHMSA-N 351.450 3.562 0 1 FHAF CN1C/C(=C\c2cccs2)C2=NC(=S)N[C@@H](c3cccs3)[C@H]2C1 33917369 FMDRPUQOKDUQEP-IRSGEFJISA-N 359.545 3.825 0 1 FHAF N[C@H](CNC(=O)c1ccc2cnccc2c1)Cc1ccc(C(F)(F)F)cc1 72178047 QNFUNZOWZYJKBX-SFHVURJKSA-N 373.378 3.553 0 1 FHAF c1nc(NCC2CC2)c2nc(C3CCCCC3)n(C[C@H]3CCCO3)c2n1 82180782 XBGDKDXJXZFUDI-MRXNPFEDSA-N 355.486 3.875 0 1 FHAF NC(=O)c1c(F)ccc(OCc2nc3ccc(Cl)cc3s2)c1F 49111171 MNIBRUFNFDEHQX-UHFFFAOYSA-N 354.765 3.906 0 1 FHAF COc1ncc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)cn1 147535531 PDCMTRVXJKBSPY-UHFFFAOYSA-N 372.388 3.873 0 1 FHAF C[C@@]12CC[C@@H]3[C@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 256447837 UVVGWNHIKZRQLP-MNMROBMLSA-N 372.505 3.524 0 1 FHAF Brc1ccc(Nc2nn3c(-c4ccncc4)nnc3s2)cc1 299833600 YVFUDWOXKBEDOZ-UHFFFAOYSA-N 373.239 3.754 0 1 FHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cncc(C)c2[nH]1 587112423 JSCUQGOSSHFJKN-QGZVFWFLSA-N 362.355 3.685 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CN)(c1ccc([C@H](C)OC)cc1)CC2=O 587473130 QEILMFXMZLSPJP-RCDICMHDSA-N 369.461 3.872 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3[nH]c(=N)oc13)CC2=O 587468064 ANPQESGPZMEMMP-FQEVSTJZSA-N 352.390 3.779 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)c(OC)c(F)c3)nc2c1 587134478 HALLTXKYLJZPGE-UHFFFAOYSA-N 352.724 3.957 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)ccc1O)CC2=O 587480819 PKBKNFFOBXMMGZ-SFHVURJKSA-N 356.374 3.543 0 1 FHAF COCCC[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353321 YSPRXXYCYAYVSN-CTNGQTDRSA-N 374.408 3.702 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCCN3CCC[C@H]32)[C@@H]1c1ccc(F)cc1 587349899 VXXWDQXNDSCQTA-VWPQPMDRSA-N 367.420 3.887 0 1 FHAF C[C@]1(c2cnc3ccccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590389 ZSSYLALRHPPVPM-SIKLNZKXSA-N 372.380 3.917 0 1 FHAF Cc1ccnn1C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587760310 PAPBHYCFHHTUHO-QLJPJBMISA-N 352.251 3.543 0 1 FHAF CC(C)(CN1CCCC1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590903 DASXGBZPSZVDIR-WIYYLYMNSA-N 367.445 3.844 0 1 FHAF Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O 587943811 PNPKYVQKHCBHEQ-UHFFFAOYSA-N 359.328 3.832 0 1 FHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc3cc(O)ccc3c2)N1 963229304 JVCXIZWMJKYWGK-YADHBBJMSA-N 370.408 3.782 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@](c2ccco2)(C(F)(F)F)N1)C(F)(F)F 962731438 RXTSJYMKBBKQJI-FZMZJTMJSA-N 363.257 3.731 0 1 FHAF CCOCCC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167084971 WTOJOITXZDXIAR-UHFFFAOYSA-N 353.422 3.599 0 1 FHAF Cc1cc(C)c2c(C)c(C(=O)NCc3ccc4c(c3)OCCO4)sc2n1 10088358 MNPAUPZTLSHYKE-UHFFFAOYSA-N 368.458 3.923 0 1 FHAF OCCCCNc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1 1772634250 DKUUPBRYIVZRLH-UHFFFAOYSA-N 368.416 3.682 0 1 FHAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CCC[C@@H]2C)c1O 1772601668 PZIWNZKMZJYCNO-CMPLNLGQSA-N 374.890 3.538 0 1 FHAF O=C1[C@@H]2[C@@H](c3ccccc3)[C@]2(Cl)C(=O)[C@H]2[C@H](c3ccccc3)[C@@]12Cl 5822414 UNEGTQFQRVOMCV-LWDKGXHOSA-N 357.236 3.921 0 1 FHAF Fc1ccc(N2CCN(CCC[C@H]3CNc4ccccc4O3)CC2)cc1 13780757 ZXBRTUYPCQTATA-IBGZPJMESA-N 355.457 3.601 0 1 FHAF COC(=O)[C@H]1CC=C[C@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 13813839 AEXOOGLADLWNAC-HEHGZKQESA-N 368.260 3.707 0 1 FHAF Cc1ccccc1/C=C1\CNC[C@H]2C1=NC(=S)N[C@@H]2c1ccccc1C 169729976 GTZSGHNRRUJVMX-ARBHFXSGSA-N 361.514 3.977 0 1 FHAF Cc1cc(Oc2nccn3ccnc23)ccc1-c1c(C)ncc2nccn12 1857548057 OYCVPQJTTXMMCY-UHFFFAOYSA-N 356.389 3.848 0 1 FHAF C/C=C/c1ccc(Nc2ncnc3cc(N4CCNCC4)c(F)cc23)cc1 1857567970 JCCXASMHHXQZEA-NSCUHMNNSA-N 363.440 3.955 0 1 FHAF CC1=C(C(=O)N2CCCCC2)[C@H](c2cccs2)[C@@H]2C(=O)CCCC2=N1 6530757 XWRDGGDAECFWSJ-OALUTQOASA-N 356.491 3.942 0 1 FHAF CCCCOc1cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2n1 100643236 PXSRGUBKHGVLLK-IRXDYDNUSA-N 367.493 3.769 0 1 FHAF CC[C@H](COc1cccc(NC(C)=O)c1)OC(=O)NCc1ccccc1 103190841 OUYYHTOZALMIDZ-GOSISDBHSA-N 356.422 3.729 0 1 FHAF CC(C)C[C@H]1NC(=O)c2ccccc2-n2c1nc1ccc(Cl)cc1c2=O 61949381 VGBIPCXUCPJYKM-MRXNPFEDSA-N 367.836 3.870 0 3 FHAF COC(=O)[C@]1(C)CCC[C@]23C(=O)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@@H]21)[C@@H]43 2356614488 WWIJLRGEJWUHJF-DRTHCEDISA-N 358.434 3.987 0 1 FHAF CN(C)C[C@H]1CCCc2c1c1ccccc1n2S(=O)(=O)c1ccccc1 28884090 DQNHIVUXRKJJAZ-MRXNPFEDSA-N 368.502 3.860 0 1 FHAF N[C@](c1ccccc1)(C(F)(F)F)[P@@]1(=O)OC(=O)c2ccccc2O1 31899430 XANUINOEWNPJKP-BSEYFRJRSA-N 357.224 3.803 0 1 FHAF Cc1nc2cc(NC(=O)C(C)(C)n3cc(-c4ccccn4)cn3)ccc2o1 74387505 USYHVKAETPTZDF-UHFFFAOYSA-N 361.405 3.769 0 1 FHAF C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 71296636 QITUJUVRRULAQB-MONBJTKQSA-N 373.456 3.803 0 1 FHAF CCc1cnc(N)nc1-c1c[nH]c(C(=O)NCc2cccc3ccccc23)c1 71788624 JJZCJNYJLGTPMD-UHFFFAOYSA-N 371.444 3.700 0 1 FHAF CO[C@@]1(C(C)(C)O)/C=C/[C@](C)(O)CC/C=C(\C)CC(=O)C[C@@H](C)CC1 40413534 PUAPJGQBSUWLAY-MBUZTULVSA-N 352.515 3.955 0 1 FHAF COc1ccc(-c2cc(=O)oc3cc(OC)c(OC)c(OC)c23)cc1OC 49034356 KGZDAQHWZQJSAW-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF CC(C)c1ccc(C(=O)C2CCN(C(=O)c3cccc(O)n3)CC2)cc1 2382217778 XUNLPWANMCUPAJ-UHFFFAOYSA-N 352.434 3.646 0 1 FHAF CCCN(CCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1 474609609 RBFMCJMIEVSALT-FMIVXFBMSA-N 366.480 3.835 0 1 FHAF O=C(NC(=O)c1c(O)cccc1O)N[C@@H]1c2ccccc2[C@H]2CCCC[C@@H]21 653794444 UKHSLTFJOOHTDO-FRIZHTMISA-N 366.417 3.566 0 1 FHAF CC(C)(C)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580652 CMEIUVKSWCZDPA-GOSISDBHSA-N 367.445 3.987 0 1 FHAF CCOc1n[nH]c(-c2nc3ccc4ncccc4c3[nH]2)c1Br 586980345 VQVNDRFSZVSPBU-UHFFFAOYSA-N 358.199 3.662 0 1 FHAF COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587774198 TVMOWLULSFRSCJ-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF C=Cn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587767332 YEADJSAOVGBWAX-ABKXIKBNSA-N 350.235 3.817 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccon1 587864719 NOIPHYBHBHUGBH-UHFFFAOYSA-N 351.284 3.644 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](O)C(C)(C)C2)N1 587833277 MRHDGVNXOWUYMZ-TYFHEEPYSA-N 356.279 3.889 0 1 FHAF CN1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)CC1 587514175 MGIADSIXCHNJEW-HXUWFJFHSA-N 366.461 3.617 0 1 FHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 586882387 QQBKSLMEYIQPLA-UHFFFAOYSA-N 364.401 3.653 0 1 FHAF Cc1cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br 587092992 CLGRHZDAQYQHTP-SSDOTTSWSA-N 364.165 3.763 0 1 FHAF O=S(=O)(O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587085246 OHGZGNNMIYQQGN-UHFFFAOYSA-N 359.794 3.678 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CSc1ccccc1C(=O)O)[C@@H](C2)C3=O 587448954 NVLLIQDLCQHIDK-VBKZILBWSA-N 370.426 3.692 0 1 FHAF Cc1c(C)c(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O 587946919 ZXWAXUOLUPFRMY-UHFFFAOYSA-N 351.765 3.531 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2c1 587044412 VWBNAKXFLBIEQT-UHFFFAOYSA-N 373.821 3.714 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cncc2F)N1 587729707 HOHYMMIRSVCANY-KWKYVRJSSA-N 357.173 3.885 0 1 FHAF CCc1nccn1C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578161 QKVBESQZDGSXQZ-WIYYLYMNSA-N 364.401 3.572 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](COc1cccc(Br)c1)O2 587370219 CHNISINBUBYAMV-ZDUSSCGKSA-N 362.223 3.753 0 1 FHAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1 587203908 PZACXDYFMXXLRJ-UHFFFAOYSA-N 372.816 3.523 0 1 FHAF CCOC(=O)[C@@H]1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587797982 NIBOZFRGEMAFLZ-HSOHIQCKSA-N 370.262 3.681 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4c(C(=O)O)cc(F)cc4[nH]3)oc12 586903677 KXXPXIVKURWEFA-UHFFFAOYSA-N 354.293 3.635 0 1 FHAF C[C@H](C(F)(F)F)[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962909284 WRYANMFHIMHGPN-GEWABHDNSA-N 367.342 3.867 0 1 FHAF C[C@@H]1C[C@@]2(CS1)N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962922351 RGUMTCMKZFZCBN-OACQNMCBSA-N 371.458 3.504 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(F)c3C)C2)cc1 1772619493 UYYGKOWJAFNVIL-HNAYVOBHSA-N 356.441 3.989 0 1 FHAF Fc1cc2c(c(OCCNCCc3c[nH]c4ccc(F)cc34)c1)OCCC2 13581129 DUTGEQMBAUMVEL-UHFFFAOYSA-N 372.415 3.982 0 1 FHAF CCC(=O)N(c1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C 13741154 FRPRNNRJTCONEC-COPCDDAFSA-N 366.505 3.874 0 1 FHAF Fc1ccc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)cc1 13762482 AASFRXJJHSMTFI-UHFFFAOYSA-N 360.436 3.949 0 1 FHAF CCCN1CCC(Oc2cccc(C(=O)NCCc3ccccc3)c2)CC1 14954236 CVXMWXJWRGXCIS-UHFFFAOYSA-N 366.505 3.912 0 3 FHAF O=C1CCCCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1 16052190 VZTAZMSAAIUZJV-HWKANZROSA-N 352.814 3.930 0 1 FHAF in-vivo CC[C@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3cn[nH]c3)nc21 1857613323 KSSSAXASWYMYSX-GOSISDBHSA-N 373.395 3.903 0 1 FHAF CN(C)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 2014409 FXSGQTJGMLGXCT-UHFFFAOYSA-N 358.871 3.591 0 1 FHAF O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 101540401 PKEODQBLMLQVCV-MQIPJXDCSA-N 357.841 3.752 0 1 FHAF COc1cc(C(=O)c2cc3cc(N)cc(OC)c3s2)cc(OC)c1OC 103233960 MPZVMPIHHOVIEC-UHFFFAOYSA-N 373.430 3.749 0 1 FHAF CCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1-c1ccc(CN)cc1 2356361292 YBUOHQCLSUAANL-SFHVURJKSA-N 371.477 3.579 0 1 FHAF CCOc1ccc(C[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)O)cc1 101577708 SYGAZOVHPXYSAU-ZIFCJYIRSA-N 361.482 3.660 0 1 FHAF OCCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 22937819 WVMPJMHWCBRDFH-TZIWHRDSSA-N 374.887 3.666 0 1 FHAF Cc1nc(CSc2nc3nncc-3c(O)n2-c2ccccc2)cs1 101467278 NAQDKJULLXUIRY-UHFFFAOYSA-N 355.448 3.530 0 1 FHAF COc1ccc([C@H]2NC(S)=NC(c3ccc(C)cc3)=C2CC(=O)O)cc1 29413334 VXTRKPQOGHUTOB-LJQANCHMSA-N 368.458 3.820 0 1 FHAF NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc2ccccc2c1 26490305 ROTSHVRWLRNQLZ-FGZHOGPDSA-N 360.457 3.598 0 1 FHAF COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@H]4[C@H](C2)N(C)CC[C@]341 29404880 JUUYNFHQKQIBCF-FHSQQOBZSA-N 372.468 3.981 0 1 FHAF CC(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)Nc2ccccc2)cc1 61898225 MJAZVDKGNBLKOQ-JOCHJYFZSA-N 350.462 3.982 0 3 FHAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3cccn3CC)cc2)C[C@@H]2CC[C@H]1N2 27552260 TUTFNCHCPZEQJC-PXCRPINLSA-N 352.478 3.962 0 1 FHAF C[C@@H]([C@@H](C)O)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103816 FDCZUAWLCBAHKC-MRUHUIDDSA-N 373.928 3.648 0 1 FHAF O=C1Cc2ccccc2N1CCCCCN1CCN(c2ccccc2)CC1 45495602 LGXOFEQBKJYIPM-UHFFFAOYSA-N 363.505 3.568 0 1 FHAF O=C(O)Cc1ccccc1S(=O)(=O)c1ccc(-c2ccccc2)cc1 45285871 HGICQEUHJFERNR-UHFFFAOYSA-N 352.411 3.814 0 1 FHAF in-vivo Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5cccc(O)c5)c4)c3c2)cn1 96282982 KNRKBZCJMLVHPB-UHFFFAOYSA-N 370.416 3.581 0 1 FHAF O=C(N[C@H]1CCC[C@H](NC(=O)c2ccccc2F)C1)c1cccc(Cl)c1 95586798 WKOOILCXTVGJNN-HOTGVXAUSA-N 374.843 3.950 0 1 FHAF C/C(N)=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587706790 RGSIKMSTNKIMLU-WBXRYDMSSA-N 367.184 3.743 0 1 FHAF CCN1C(=O)C[C@@H](c2nc3cccc(O)c3[nH]2)[C@@H]1c1ccccc1Cl 587061966 QIUGFWZLDDUDGN-XIKOKIGWSA-N 355.825 3.999 0 1 FHAF O=S(=O)(/C=C/c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1 586925313 YUUPIWBUQJCZHO-MDZDMXLPSA-N 368.336 3.906 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511562 LROCSMOFDXFWJQ-DYESRHJHSA-N 357.450 3.957 0 1 FHAF C[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335322 HCLWUOGUPNIILQ-UYAOXDASSA-N 350.349 3.596 0 1 FHAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 586951758 YKNMEGNVWLUECW-UHFFFAOYSA-N 364.496 3.664 0 1 FHAF COc1ncc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587405 MQXOFRVYORJZGK-XLIONFOSSA-N 363.369 3.807 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@H]2CCCCN2)N1 587799078 WCEDGJNHJTUTSQ-CJBNDPTMSA-N 355.295 3.870 0 1 FHAF Brc1ccc2cc(-c3nc4cc5c(cc4[nH]3)OCO5)cn2c1 587005979 CRZUAYZHTPOUNQ-UHFFFAOYSA-N 356.179 3.974 0 1 FHAF COc1cnc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1Cl 587064124 BDVSORCGMGFYKJ-UHFFFAOYSA-N 357.570 3.584 0 1 FHAF NS(=O)(=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587164914 FFKMCZFOPYPEPM-UHFFFAOYSA-N 373.434 3.745 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(Cc3ccc(F)cc3)c1)O2 587385774 UZVQSPZVVPMCPF-LJQANCHMSA-N 351.381 3.668 0 1 FHAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cccc(C(N)=O)c3[nH]2)c1 587049697 DNVMDJHVJAXLEE-UHFFFAOYSA-N 356.813 3.577 0 1 FHAF C[C@@]1(C2=NCCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374295 OVHVDISQUZKWTN-QFBILLFUSA-N 357.406 3.794 0 1 FHAF O=[S@@](Cc1nc2ccnc(O)c2[nH]1)C(c1ccccc1)c1ccccc1 586960324 OOYWOOSSURFZCZ-SANMLTNESA-N 363.442 3.702 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)[C@@H](C)C1)O2 587396924 XFHIYWSJADOITM-KSFYIVLOSA-N 350.462 3.966 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)cc1C=O)CC2=O 587476283 AMUGHVCKEMSLAK-LJQANCHMSA-N 368.385 3.650 0 1 FHAF Cn1ncc2c1CCC[C@@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962720771 WQPWROQJLVNBFG-JLTOFOAXSA-N 357.498 3.503 0 1 FHAF Oc1ccc2c(c1)[C@@H](c1c(Br)cccc1N1CCCC1)NCC2 963341125 KYNWPFWMRQUHBI-IBGZPJMESA-N 373.294 3.990 0 1 FHAF COc1cc2c(cc1OC)[C@]1(CCc3cc4c(cc31)OCC4)N(C)[C@H](C)C2 962572710 QEVQFOXBFDEADI-QKFKETGDSA-N 365.473 3.705 0 1 FHAF COc1ccc(F)c([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 1772589162 LTFFYNBBYLBAGX-GFCCVEGCSA-N 369.396 3.724 0 1 FHAF CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 150275272 OXSPNXSOSSLCRR-UHFFFAOYSA-N 374.481 3.600 0 1 FHAF C[C@H](O)CSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1 1857620918 BVXCJAGSMKQLOW-ZDUSSCGKSA-N 350.447 3.889 0 1 FHAF COc1cc(OC)c(C(=O)c2ccccc2C)c(O)c1Br 103224015 WZXUTOKELKERCW-UHFFFAOYSA-N 351.196 3.711 0 1 FHAF CC(C)(C)NCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 103290705 CDVNDBGJLKLVQF-UHFFFAOYSA-N 353.418 3.933 0 1 FHAF COc1ccc([C@@H]2NCCN[C@@H]2c2ccc(OC)cc2Cl)c(Cl)c1 26402222 IAPARCFMJLVRLU-HDICACEKSA-N 367.276 3.986 0 1 FHAF O=C1C(SCCc2ccccc2)=C(O)CN1Cc1ccc2c(c1)OCO2 100603560 MSTFERMWQAZUEQ-UHFFFAOYSA-N 369.442 3.503 0 1 FHAF COc1ccc(Cl)cc1-n1c(S)nnc1-c1cc2occc2n1C 20386454 AVGPGRQACFPNNV-UHFFFAOYSA-N 360.826 3.970 0 1 FHAF CC(=O)N[C@H](c1ccccc1)c1nc(-c2cccc(C(=O)O)c2)cs1 61906265 BGEGECAPZACELD-QGZVFWFLSA-N 352.415 3.734 0 3 FHAF CC(=O)N1N=C(c2ccc(N(C)C)cc2)O[C@@H]1c1cc(C)c(C)c(C)c1 27441559 XPCPGNBHVLWGDP-OAQYLSRUSA-N 351.450 3.917 0 1 FHAF COc1ccc(OCCCCCCN2CCN(c3ccncc3)C2=O)cc1 29394970 UVIQKQRSPKROGH-UHFFFAOYSA-N 369.465 3.972 0 1 FHAF C[C@H](O)CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28098782 IWUPUFYAMCDDIO-GJULWVSJSA-N 372.459 3.540 0 1 FHAF CC(C)[C@@H]1CC[C@H]2[C@H]3CC[C@]45[C@@H](O)CC[C@@H]4[C@@]2(CCCC(=O)O)[C@H]1N5C3 2356572757 NBPLSEUAFUURJP-LPOCPQSJSA-N 361.526 3.527 0 1 FHAF CC1=C2C[C@@]3(C[N@]4C[C@@H]4CNCCCCO)CC[C@H](C)[C@@]2(CC1)C3(C)C 2356752085 CJCOYVGFGUSBGU-AVLWYEITSA-N 360.586 3.976 0 1 FHAF COc1ccc(-c2nc(CNCc3c(OC)cccc3OC)co2)cc1 72182518 NOENAFPPYPYHHM-UHFFFAOYSA-N 354.406 3.657 0 1 FHAF COc1cc(-c2cnc3ccc(-c4cccc(C(=N)O)c4)nn23)ccc1O 74386115 BOJLRPIFLQHYMZ-UHFFFAOYSA-N 360.373 3.661 0 1 FHAF CNc1nc2cnc(Nc3cccc(C(F)(F)F)c3)cc2n1CCOC 74388603 VAILKEVQDJACKM-UHFFFAOYSA-N 365.359 3.882 0 1 FHAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCCCO)c2)[nH]1 40936338 VDARZOYUPHNIMA-UHFFFAOYSA-N 358.442 3.794 0 1 FHAF CCN(CC)Cc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1 40394522 HGHDRKJHOUHEHA-UHFFFAOYSA-N 373.464 3.772 0 1 FHAF Cc1cc(=O)n2[nH]c(C(F)(F)F)c(-c3ccc(Br)cc3)c2n1 136438969 FWVFBKAJKHMYFV-UHFFFAOYSA-N 372.144 3.779 0 1 FHAF CC(=O)N1N=C(c2ccc(C)nc2)O[C@H]1c1ccc(Cl)cc1Cl 96935259 PZAAPCWSBVZUOW-INIZCTEOSA-N 350.205 3.936 0 1 FHAF CCN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 299883564 RNUUMMMDUWBROH-HZPDHXFCSA-N 352.482 3.718 0 1 FHAF C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccccc1 653822642 KMEFRALRCVMIOU-OAHLLOKOSA-N 363.417 3.811 0 1 FHAF COc1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(OC)c1C 587787758 OSPOSKCDAVGFEG-UHFFFAOYSA-N 352.369 3.880 0 1 FHAF COc1cc2c3c(c1)O[C@](/C=C(\C)N(C)C)(c1ccsc1)[C@@H](C2)C3=O 587450524 FRDCXZQZOCDUOT-QBIRRTQFSA-N 355.459 3.865 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)O2 587396827 WJWGRONFUVQWKW-HNNXBMFYSA-N 374.481 3.948 0 1 FHAF CCOC[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587591914 IEDVUWBKNKWEFN-DHUIEDIVSA-N 354.402 3.929 0 1 FHAF Clc1ccc(-c2nnc(CCc3nc4cc5c(cc4[nH]3)OCO5)o2)cc1 587075083 CCCRXJYMYZGPNJ-UHFFFAOYSA-N 368.780 3.780 0 1 FHAF O=c1ccc(-c2nc3cncnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587057387 PLNPGHWTUQPJJV-UHFFFAOYSA-N 372.215 3.537 0 1 FHAF O=C(Nc1ccccc1Cl)c1nc2nc(Br)ccc2[nH]1 587061002 YWBDJGPIBILIAV-UHFFFAOYSA-N 351.591 3.626 0 1 FHAF COc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1F 587030142 ZHUZMQGGEAIAPQ-UHFFFAOYSA-N 370.409 3.860 0 1 FHAF CCOC(=O)[C@@H]1C[C@@H](C(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587398683 GHEIRQXXQOLUNN-WDUKFBBWSA-N 359.466 3.917 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csnn1 587866444 DXPSQKILNRHXEX-UHFFFAOYSA-N 368.340 3.508 0 1 FHAF N[C@@H](Cc1nc2c(Br)ccnc2[nH]1)c1ccccc1Cl 587057557 PMUJFTJIVCACAU-NSHDSACASA-N 351.635 3.616 0 1 FHAF N[C@H](Cc1nc2ccc(Cl)nc2[nH]1)c1ccc(Br)cc1F 587142919 QVAOQGOFRCDHDF-SNVBAGLBSA-N 369.625 3.755 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 586966330 BICAEPALAWSZRE-UHFFFAOYSA-N 371.315 3.960 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1CNC(=O)OC(C)(C)C)O2 587386441 JEDBLQBTTSVWQT-RBZFPXEDSA-N 360.454 3.606 0 1 FHAF Fc1cccc([C@@H]2C[C@@H]2c2nc3nc(Br)c[nH]c-3n2)c1F 587152432 NDNZWGPRDRRNAM-YUMQZZPRSA-N 351.154 3.616 0 1 FHAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O 587808531 QNCNFJLFHYCLSE-XLFHBGCDSA-N 366.230 3.926 0 1 FHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Nc5[nH]ncc5C[C@]4(C)[C@@H]3CC[C@]12C 5500810 TXIDYABROZTEFW-IFKFXWNZSA-N 357.498 3.921 0 1 FHAF CCc1cc(C(C)=O)c(O)c(C)c1OCCCCCC(C)(C)c1nn[nH]n1 13650600 CWNJPUGJBYUAMB-UHFFFAOYSA-N 374.485 3.896 0 1 FHAF Oc1ccc2c(c1)O[C@@H](CNCCCOc1ccc3cccnc3c1)CC2 13775921 CPMKULWZFNXOBS-HXUWFJFHSA-N 364.445 3.693 0 1 FHAF C[C@@H](Cc1ccccc1)Nc1ncnc2c1nnn2CCc1ccccc1 13778559 XBEJTBQLWJTNCK-INIZCTEOSA-N 358.449 3.507 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(F)c1 169723965 DDVXIVUENZSSHM-NVXWUHKLSA-N 361.413 3.789 0 1 FHAF Cc1ccccc1S(=O)(=O)N1CCC(c2nc3ccccc3o2)CC1 201454102 DXRQZAPQJDQGQT-UHFFFAOYSA-N 356.447 3.705 0 3 FHAF Cc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1 205958122 GUJOCUXBSIYEDM-UHFFFAOYSA-N 374.322 3.998 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@H](C[C@H]1CCN1Cc1ccccc1)C2 1857628158 ADXPNWDIQYFMRM-ZWKOTPCHSA-N 351.446 3.723 0 1 FHAF COCc1ccc(O)cc1CCN1CCCC[C@@H]1[C@@H](O)c1ccccc1 2356356730 MYTOTPYYDYGXFE-YADHBBJMSA-N 355.478 3.669 0 1 FHAF O=c1n(Cc2cccc(F)c2)c2ccccc2c2nc(-c3ccccc3)nn12 8654538 JYGXKFUGMPBCLH-UHFFFAOYSA-N 370.387 3.899 0 1 FHAF CNC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 101363799 ANRXIHXQFLKMRJ-KXTWHKPSSA-N 350.462 3.621 0 1 FHAF CCCn1c(=N)n(C[C@H](O)c2ccc(Br)cc2)c2ccccc21 103217933 UXXDYTSWIXXMPH-KRWDZBQOSA-N 374.282 3.828 0 1 FHAF COc1ccc([C@H]2CC(=S)N2c2cc(OC)c(OC)c(OC)c2)cc1 66058901 KDPLWIVBPCAVCP-OAHLLOKOSA-N 359.447 4.000 0 1 FHAF N[C@@](c1ccccc1)(C(F)(F)F)[P@]1(=O)OC(=O)c2ccccc2O1 31899434 XANUINOEWNPJKP-JBEBIEQOSA-N 357.224 3.803 0 1 FHAF COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H](OC)[C@H]2OC 14642527 RCABCWRSNHSFDC-AABGKKOBSA-N 360.406 3.549 0 1 FHAF biogenic C/C(=C\C(=O)O[C@H]1C[C@@H]2[C@H](C)CN(C)C[C@@H]2[C@H]1C)CC/C=C(\C)C(=O)O 136455518 ATLOQCAJYLXOFN-MYMOOVJBSA-N 363.498 3.509 0 1 FHAF COc1ccc(CCNc2cc(-c3ccc(F)cc3)ncn2)cc1OC 82161232 HAUYZPRUNAHNDK-UHFFFAOYSA-N 353.397 3.955 0 1 FHAF CC(=O)OCc1ccc2oc(=O)c(C(=O)Sc3ccccc3)cc2c1 40848378 FWOHYTQFCAIKJD-UHFFFAOYSA-N 354.383 3.789 0 1 FHAF C[C@H]1[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)[C@@H]1COc2ccccc2O1 197895131 VHXMRQPEDURYLP-DDFQMXDRSA-N 363.457 3.577 0 1 FHAF Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1/C=C/C1CC1 146781050 MCKNHMQFPZQZNR-VAWYXSNFSA-N 361.441 3.770 0 1 FHAF COCCCOc1cccc([C@@H]2NC(=S)Nc3c2oc2ncccc32)c1 299825329 HVBOOIDXACFGEI-HNNXBMFYSA-N 369.446 3.633 0 1 FHAF C[C@]1(c2ncccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332261 FSNGCRWAHNEQEE-RXVVDRJESA-N 364.376 3.783 0 1 FHAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cnc(Cl)[nH]c-2n1 587045057 ZNTSPYHUVSUHDD-UHFFFAOYSA-N 359.600 3.949 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1cc(F)ccc1F)O2 587383085 XGRQGDKCGOUFJF-LJQANCHMSA-N 361.344 3.581 0 1 FHAF CN(C)C(=O)C[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586988276 HZPSWHIANIFFNT-LBPRGKRZSA-N 372.424 3.660 0 1 FHAF O=C1C[C@@H](CCCNC(=O)C2CCCC2)Oc2c1ccc1c2CCCC1 587513401 SFTFAYOHFCFOEJ-QGZVFWFLSA-N 355.478 3.986 0 1 FHAF CC[C@@]1(c2cncn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345241 YYRQUVSYUNGJMH-CTNGQTDRSA-N 366.392 3.929 0 1 FHAF C[C@@]1(Cc2ncccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333306 CIZHXCKVOVHIBD-FPOVZHCZSA-N 364.376 3.682 0 1 FHAF CCOC(=O)[C@@H](C)[C@@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448754 BXFAZVXOBQELPU-QRVQBPJGSA-N 372.442 3.599 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1N)[C@@H](C2)C3=O 587432999 OCCCORUQDDLDLW-FDDCHVKYSA-N 357.409 3.969 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1cnn(C)c1C)(C(F)F)CC2=O 587468917 ZHBAXOMBDOXSLO-GOSISDBHSA-N 350.365 3.512 0 1 FHAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O 587527245 VTSBCNFJOSGAMQ-LJQANCHMSA-N 352.386 3.979 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccccn1)CC2=O 587470376 SXNNQHHHTHCKRG-ZOXUKVPXSA-N 352.434 3.676 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)([C@H](C)Oc1ccccc1)O2 587385590 DDKYVSNXIAXESV-SVVFRNOSSA-N 366.461 3.824 0 1 FHAF Cc1cscc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276737 SSBZZCUOBQAYSX-UHFFFAOYSA-N 352.209 3.684 0 1 FHAF CCOC(=O)[C@@H](F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C 587622508 ONHIJYPGONLNGN-NSHDSACASA-N 354.179 3.689 0 1 FHAF COc1cc(-c2nc3c(Br)ccnc3[nH]2)cc(Cl)c1O 587046135 KYSFKONDJHRNGF-UHFFFAOYSA-N 354.591 3.755 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2c(C(F)(F)F)ccnc2Cl)N1 962898899 GENIYMNGMYGJGC-GXFFZTMASA-N 374.721 3.581 0 1 FHAF CN(CCc1ccc2c(c1)OCO2)C[C@H]1CCCc2c1ccc1c2OCO1 13761408 KHIYOMBSNYPTJL-MRXNPFEDSA-N 367.445 3.738 0 1 FHAF Cc1noc2cc(OCCCNC[C@H]3CCc4ccc(O)cc4O3)ccc12 13775933 OLYVLNMYFDULPJ-GOSISDBHSA-N 368.433 3.594 0 1 FHAF CC(=O)C[C@@]1(OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C(=O)Nc2ccccc21 17250215 AYRGLPVOHJUCOU-KUDFPVQQSA-N 355.434 3.595 0 1 FHAF N=c1ccc(-c2cn3c(-c4cccc(OC(F)(F)F)c4)cnc3cn2)c[nH]1 1857618074 VUKUGWCFUCEVEB-UHFFFAOYSA-N 371.322 3.769 0 1 FHAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC)C(=O)N23)o1 1857771360 VKKJMPZSQBNIOL-VQIMIIECSA-N 363.417 3.622 0 1 FHAF CC(=CCO)[C@@H]1O[C@@H]2C(C)=C[C@](C)(C=CC(=O)O)[C@@H]3C(C)=C[C@]1(C)[C@@]23C 2356517349 HCHYEJZGKDRAGI-KINXCBNHSA-N 358.478 3.888 0 1 FHAF CC=Cc1cc2c(cn1)C(=O)[C@]1(C)OC(=O)[C@@H](C(=O)CCCCC)[C@H]1C2 2356752343 XZLAVLLIHLWTLQ-HGHGUNKESA-N 355.434 3.551 0 1 FHAF Cc1cccc(/C=C/C(=O)Nc2ccc(Br)cc2C(N)=O)c1 72171058 LQNCPGURKMTLGN-VMPITWQZSA-N 359.223 3.508 0 1 FHAF O=C(Nc1cccnc1)C(=O)c1cc(Cc2ccc(F)cc2)n2ccccc12 38699189 ILVCINUAJOVZMM-UHFFFAOYSA-N 373.387 3.886 0 1 FHAF CCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 40876197 FGVJIXQZYKSQKY-HNNXBMFYSA-N 353.418 3.575 0 1 FHAF C[C@]12CC[C@H](O)C[C@H]1CCC1=C2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@H]12 1911570692 KZRYSWFLCQCJGE-ZEAHQUMFSA-N 372.505 3.524 0 1 FHAF Cc1ccccc1N1c2cc(Cl)ccc2S(=O)(=O)c2c(N)n[nH]c21 40829003 MJJGPVSEWAVZRE-UHFFFAOYSA-N 360.826 3.570 0 1 FHAF CC1(C)NC(=O)C2=C1Nc1cc3c(cc1[C@@H]2c1cccc(Cl)c1)OCO3 40940372 CDLMKDXEAZMDTM-INIZCTEOSA-N 368.820 3.789 0 1 FHAF O=C(CCCCc1cc(C(=O)O)no1)Nc1nc(-c2ccccc2)cs1 40874608 DZGAESNTKKTHRY-UHFFFAOYSA-N 371.418 3.848 0 1 FHAF O=C(O)CC[C@@H](O)c1ccc(OCc2cccc(Br)c2)cc1 45497104 KTDVWDYVGLKBFY-MRXNPFEDSA-N 365.223 3.926 0 1 FHAF Brc1ccc(-[n+]2cc[n+](Cc3ccccc3)cc2)c2cc[nH]c12 98085492 XRQBUGNQFZLQGU-UHFFFAOYSA-O 366.262 3.543 0 1 FHAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCO 95586070 WKVBTXXRMLCXIX-UHFFFAOYSA-N 363.776 3.546 0 1 FHAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2O)O3)O1 95561583 OBECBPJJXYKUJE-OAHLLOKOSA-N 354.358 3.694 0 1 FHAF biogenic CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](C)CN(C)C 299880322 MBYMWWBZTIIEEU-NSISKUIASA-N 359.514 3.767 0 1 FHAF CN(C)c1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)nc1 587195646 ZEFVMSOVPDGESH-UHFFFAOYSA-N 352.623 3.502 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)([C@@H]1CCCNC1)CC2=O 587482844 JTTPAWKGPXCUSZ-IVZQSRNASA-N 366.461 3.600 0 1 FHAF Cc1nccc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc12 587172753 LCXXIXBGIBLYPG-UHFFFAOYSA-N 352.344 3.861 0 1 FHAF CC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 587234601 RGWRRLPJLAEPFO-UHFFFAOYSA-N 371.437 3.629 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(c1)c(C)nn3C)CC2=O 587475260 KSCIIXJXVGSFEL-GOSISDBHSA-N 351.406 3.641 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1cnccc12 587589211 WIFKCPCRXZKQBF-DENIHFKCSA-N 359.381 3.981 0 1 FHAF Cc1ccnc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc12 587173457 WDQJRIVQAURDEO-UHFFFAOYSA-N 352.344 3.861 0 1 FHAF CC(C)c1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(O)c(C(C)C)c1 586896232 KUROHMFJIJKROQ-UHFFFAOYSA-N 373.478 3.830 0 1 FHAF Cc1c(Br)ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c12 587093514 FQGSYAZCEOQYKZ-SSDOTTSWSA-N 364.165 3.763 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(N)ccc32)N1 587747873 SRLOINOGVBZTNV-MGNBDDOMSA-N 361.258 3.894 0 1 FHAF Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCC2 1772588371 JZSZVKOCLYQFTJ-UHFFFAOYSA-N 364.327 3.601 0 1 FHAF COC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCC(C)C 13493171 GCQMVWHPYNFZKA-UHFFFAOYSA-N 354.450 3.986 0 1 FHAF CCc1c(C)nc(-c2ccccc2O)n(CCc2ccccc2F)c1=O 13980675 JYFJNCCRKBBRKZ-UHFFFAOYSA-N 352.409 3.869 0 1 FHAF COC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@H]1c1cccc(F)c1 15937415 YQUYFZNCCDXANN-SFHVURJKSA-N 370.449 3.704 0 3 FHAF COc1cc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2cc1C(=O)O 205439692 BSJHQXDLPNSMKF-UHFFFAOYSA-N 369.396 3.987 0 1 FHAF Cc1cc(-c2nc3ccccc3n2[C@@H](C)C2CCOCC2)cn(C)c1=O 1857565623 VWXSUJYWCXZAIC-HNNXBMFYSA-N 351.450 3.698 0 1 FHAF O=C1CCC/C=C\C[C@H]2C(=O)C[C@@H](O)[C@H]2/C=C\[C@@H](CCc2ccccc2)O1 100759299 WWHYWVRAJPRWHZ-FZVLYLAFSA-N 368.473 3.784 0 1 FHAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(C(F)(F)F)c1 2356300292 HWKAXYWOANYZSR-DVOMOZLQSA-N 355.404 3.947 0 1 FHAF Cc1nc2sc([C@@H](c3cccs3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 102850615 DUJNAGSMLZWJSU-JTNHKYCSSA-N 362.524 3.934 0 1 FHAF C[C@@]1(C(=O)Nc2cccc3ncccc23)CCN1C(=O)CCc1ccccc1 61927182 JLVXYZAHHKMVHP-QHCPKHFHSA-N 373.456 3.797 0 3 FHAF C[C@@H]1CN(Cc2ccccc2)CCN1CCC[C@@H](O)c1ccc(F)cc1 26743974 HAPHCSRSWJQZHP-XMSQKQJNSA-N 356.485 3.846 0 1 FHAF Cc1ccn(-c2ccc(C(=O)Nc3ccccc3C(=O)O)c(Cl)c2)n1 28824053 NBNUQMFOQYITRC-UHFFFAOYSA-N 355.781 3.785 0 1 FHAF O=C1Cc2cnn(-c3ccccc3Br)c2-c2ccccc2N1 28963973 SUTVEORPTOAEJG-UHFFFAOYSA-N 354.207 3.796 0 1 FHAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@@H]3NC(=O)NC(=N)[C@@H]32)cc1 64453380 MIDSAJAJOYYSFS-LQWHRVPQSA-N 373.412 3.605 0 1 FHAF O=C(c1cccs1)c1cc(-c2ccccc2)nc2nc(S)[nH]c(=O)c12 28650963 IVZPDISSPIWPTG-UHFFFAOYSA-N 365.439 3.566 0 1 FHAF CC=Cc1ccc(O[C@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 2356594888 LBYGDOQPEKTTHN-ZUOKHONESA-N 374.433 3.952 0 1 FHAF COC(=O)C1=CC[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2[C@H](C)CC[C@H](O)C(C)C 2356642859 XPCAEPWERCDOLA-IHVWXVCPSA-N 352.515 3.706 0 1 FHAF CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@H]1C[C@H](O)c1cccc(O)c1 2356693169 AENDLKDNJZSFFY-LGGPRVQUSA-N 355.478 3.792 0 1 FHAF O=C1C(N2CCCCC2)=NN(c2ccccc2)CN1c1ccccc1Cl 45369784 WLIURBOVVNYULH-UHFFFAOYSA-N 368.868 3.950 0 1 FHAF Cc1nc2ccc(F)c(-c3cc4c([nH]3)[C@H](C)NC4=O)c2nc1NC1(C)CC1 222354694 HNGYLMVBNQDLKS-VIFPVBQESA-N 365.412 3.841 0 1 FHAF COc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c(C)n1 84688659 PTZYAMKMZPOADN-UHFFFAOYSA-N 374.444 3.704 0 1 FHAF O=C(N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1ccccc1 199716337 RCGUQSNLEQDYSH-GOSISDBHSA-N 356.853 3.651 0 3 FHAF O=C([C@@H]1C[C@@H]2CC[C@H]1C2)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 95573665 PKEODQBLMLQVCV-BFQNTYOBSA-N 357.841 3.752 0 1 FHAF COCCn1ncc2c1[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C2 253638253 INEQZVGATSEVNJ-DYQZNNLLSA-N 352.478 3.805 0 1 FHAF CCN(C)C(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 299870197 PFOPKKIKKJVVBI-FQTCVTPRSA-N 371.521 3.704 0 1 FHAF in-vivo N=C(N)c1ccc(NCCCCCCCNc2ccc(C(=N)N)cc2)cc1 473086774 CPBAVONBUJGRKD-UHFFFAOYSA-N 366.513 3.729 0 1 FHAF CN(C(=O)c1ccco1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1 299866662 PHYLHUMUXRYXFB-UHFFFAOYSA-N 357.373 3.976 0 1 FHAF CNCCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 653831359 ZKDCOSRXMXYOJA-UHFFFAOYSA-N 373.819 3.714 0 1 FHAF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CCC(=O)O)cc1F 587637453 JIHBKDSXORSDRX-UHFFFAOYSA-N 357.337 3.698 0 1 FHAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587936898 MOWJKHXRZOMYHE-HXPMCKFVSA-N 366.396 3.733 0 1 FHAF CCOC(=O)Cc1c([C@@H](C)O)nc2cccc3c2c1-c1ccccc1C3=O 587108268 YTFOIAIAFFTAQC-GFCCVEGCSA-N 361.397 3.605 0 1 FHAF C[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc2c(O)nc(O)nc2n1 587368745 WGBHUPWOVGKSJZ-QMMMGPOBSA-N 351.284 3.595 0 1 FHAF COC(=O)C[C@@]1([C@H](C)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441063 CMIVQPRZXFPFLU-OLPMXTGOSA-N 366.413 3.548 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(C2CC2)s1 587869130 AFLUASBFRFFNEM-UHFFFAOYSA-N 367.356 3.691 0 1 FHAF CCOC(=O)[C@H](CC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595927 LZQXDXNYAIUPMU-OXTHUFEASA-N 370.401 3.702 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(F)cc3Cl)nn1)O2 587384415 CVVUESHURRONME-KRWDZBQOSA-N 372.787 3.657 0 1 FHAF Cc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1C 587590090 XRANRXMYOAUGNM-LAUBAEHRSA-N 362.385 3.810 0 1 FHAF O=C1c2ccc(O)cc2OC2(CCN(C3CC3)CC2)[C@H]1c1ccc(F)cc1 587343364 KJFJAYXHUUVXFR-FQEVSTJZSA-N 367.420 3.887 0 1 FHAF COc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587768504 DEWHESKCNMLEMR-BTDLBPIBSA-N 365.246 3.924 0 1 FHAF COc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC 587400316 QMKZBHNYATXOGW-HNNXBMFYSA-N 357.406 3.618 0 1 FHAF Cc1ccn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587345085 YITWHHDGTDRREC-PZJWPPBQSA-N 366.392 3.854 0 1 FHAF NC(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587042654 VGLQGFBTACRYNF-UHFFFAOYSA-N 371.487 3.719 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(C(OC)OC)ccc1F)[C@@H](C2)C3=O 587423990 MTUDZRKAGVGHBB-LIRRHRJNSA-N 358.365 3.614 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(O)cc1Br)[C@@H](C2)C3=O 587414907 YKYCVVNXUURLKT-YVEFUNNKSA-N 361.191 3.652 0 1 FHAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(O)cc3[nH]2)c1 587203390 NIDISYCIGKWBRD-UHFFFAOYSA-N 352.394 3.786 0 1 FHAF O=C1C=CC(=O)N1c1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1 963111740 RXEZQVOTPTZYGL-IBGZPJMESA-N 373.239 3.658 0 1 FHAF COc1cc(OC)c([C@H]2NCCc3c2sc(C)c3C)c(OC)c1OC 963015223 WNTDZNJPGLXJAA-MRXNPFEDSA-N 363.479 3.634 0 1 FHAF CCOc1ccc2nc(CN3CCC([C@H]4CCN(C)C4)CC3)ccc2c1 11753461 FZHIVUHKIQRKPM-IBGZPJMESA-N 353.510 3.797 0 1 FHAF C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCCCC2=O)cc1 13642937 RHIXMWQQSAONBY-ZDUSSCGKSA-N 352.438 3.546 0 1 FHAF COc1c(C)cccc1NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1 1857768068 ZLGLDRKLZAITEA-UHFFFAOYSA-N 364.449 3.839 0 1 FHAF CC(C)(CO)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 775258 VIADJKVUKZBODG-UHFFFAOYSA-N 374.437 3.958 0 1 FHAF COc1ccc(-c2noc([C@H](C)NCc3ccccc3)c2C(=O)O)cc1 2356408811 PRDKNENIXHUKLH-ZDUSSCGKSA-N 352.390 3.899 0 1 FHAF O=C(CCc1ccccc1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356461951 ZWDXDBIZRWKHQT-GOSISDBHSA-N 368.408 3.516 0 1 FHAF Nc1ccc(-c2cnnc(N3CC[C@@H](c4cccc(Cl)c4)C3)n2)cc1 103226931 AHNNVBSWPOYFRO-OAHLLOKOSA-N 351.841 3.768 0 1 FHAF Brc1ccc2c(ccn2CCN2CCN3CCCC[C@H]3C2)c1 58666226 KHCPBCHTUYSMTM-KRWDZBQOSA-N 362.315 3.574 0 1 FHAF CC[S@](=O)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1 28218289 MXZUZCMIBPPRNX-RUZDIDTESA-N 356.447 3.888 0 1 FHAF O=C(c1ccc(Sc2ccccc2)cn1)N1CCCN(C2CCC2)CC1 53244154 QAAWVNPSKXBDHF-UHFFFAOYSA-N 367.518 3.933 0 1 FHAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C(=O)O)CS2)cc1 66260109 QQGIACMPSDVFRS-HKUYNNGSSA-N 365.458 3.636 0 1 FHAF Cn1c(S)nnc1Cn1c(-c2ccc(Cl)cc2)nc2ccccc21 29124458 QJXGVRWFNOQYPB-UHFFFAOYSA-N 355.854 3.822 0 1 FHAF CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCNCC3)cc1 28704201 DFONPZSBELPUSI-UHFFFAOYSA-N 358.507 3.518 0 1 FHAF CN[C@@H](C)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 27326107 NSMHSGBIVLPZMD-LBPRGKRZSA-N 351.841 3.552 0 1 FHAF C[C@@]1([C@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(Cl)cc2)C1=O 72178059 OONQWFUJHNJNJX-PBHICJAKSA-N 365.813 3.620 0 1 FHAF O=C(CCCC(F)(F)F)N1CCC(c2nc(-c3nccs3)no2)CC1 82155298 WIFDOUQOJULUSV-UHFFFAOYSA-N 374.388 3.632 0 1 FHAF in-vitro Cc1cccc(CN2CCN(C(=O)/C=C/c3c(F)cccc3F)CC2)c1 42921284 IXDIOLDDBATGGZ-CMDGGOBGSA-N 356.416 3.631 0 1 FHAF CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1C[C@H]1CCCO1 82179365 RFNTVSBTOXZAOM-QGZVFWFLSA-N 365.481 3.878 0 1 FHAF Cc1csc2c(OCc3cccc(Cl)c3)nc(N3CCNCC3)nc12 45339862 NCLOHNXLXINZQJ-UHFFFAOYSA-N 374.897 3.642 0 1 FHAF CNC(=O)OC[C@H](Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 45371363 IPIVVFVBOCKVJN-HNNXBMFYSA-N 369.446 3.661 0 1 FHAF C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4cccc(F)c4)cc3n21 147719920 TWSCIMRLDRWXPT-GFCCVEGCSA-N 351.381 3.727 0 1 FHAF CC(C)=CC[C@@H](O)[C@H](C)CCC/C(C)=C/CC[C@@H](C)C[C@@H](O)[C@@H](N)CO 96095120 ASNURABVVXFZSH-WEXWTNFNSA-N 369.590 3.943 0 1 FHAF in-vitro COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(CCC1OCCO1)CC3 299821033 JLYMGUNAQYLKLV-CBQOVEMMSA-N 357.494 3.517 0 1 FHAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cccnc1 299845281 YDGOIAYLQWVZCN-XLIONFOSSA-N 364.493 3.705 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(Br)n1C)CC2=O 587459216 NHCYIQSRUUAPSD-CQSZACIVSA-N 365.227 3.547 0 1 FHAF Cc1ccc2c(ccc3[nH]c(-c4cccnc4SCC(=O)O)nc32)n1 586968424 OGPRHDVZHHLORT-UHFFFAOYSA-N 350.403 3.658 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nccn1C 587859007 AOJOKPIDCWSMER-UHFFFAOYSA-N 365.220 3.678 0 1 FHAF Nc1cccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555300 GGGWSIBKIQSVMI-FXAWDEMLSA-N 351.333 3.816 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(N)c32)N1 587744595 HNQZZSVXLVLMHL-MGNBDDOMSA-N 361.258 3.894 0 1 FHAF COc1cccc(C[C@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526060 RKNSUBJUVDZORB-JOCHJYFZSA-N 366.413 3.605 0 1 FHAF COC(C)(OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345398 FHROYOUJSQGEPB-MJGOQNOKSA-N 360.381 3.658 0 1 FHAF COc1ccc([C@@]2(c3ccco3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587457080 ZJVOKEHMATWIJT-VGOFRKELSA-N 362.381 3.988 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)sc(=O)n3C)CC2=O 587500100 QIGAXYZZZSSRFA-QGZVFWFLSA-N 369.442 3.965 0 1 FHAF COC(=O)C(C)(C)C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587808602 OQGCCXRIBKGOEP-LKFCYVNXSA-N 358.251 3.753 0 1 FHAF COC(=O)c1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cn1 587165781 DSVAUTVKPUZQJL-UHFFFAOYSA-N 364.380 3.865 0 1 FHAF COc1cc(C)c(OC)n1C[C@@H](c1cccc(Br)c1)N(C)C 587941741 VXZUYBIIGVBSOE-HNNXBMFYSA-N 367.287 3.879 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C3CC3)nn2C)N1 587765361 SYMHJEAQKTZLEZ-XYZCENFISA-N 364.262 3.823 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3[nH][nH]c(=Nc4ccccc4)c31)O2 587396042 JAWSXSCNLGWTPJ-QFIPXVFZSA-N 374.444 3.663 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(OC(C)C)cc3[nH]1)C2 587246237 FDYQSMLBIPCQGS-OAQYLSRUSA-N 351.450 3.702 0 1 FHAF O=C(O)/C=C/C=C/c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 587966284 AVRFWHHBRZHLPV-ZPUQHVIOSA-N 361.117 3.998 0 1 FHAF Cc1ccncc1[C@@]1(c2cccc(F)c2)NCCc2c(C(=O)O)cccc21 963128966 CDHMFFXZFAASCD-QFIPXVFZSA-N 362.404 3.665 0 1 FHAF Cc1ccc2cc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)ccc2n1 963238687 VZBUIAPBBVJYMS-VXKWHMMOSA-N 369.424 3.780 0 1 FHAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1C1=CCCC1 963152091 UATZBSAVSXJQDE-CHWSQXEVSA-N 350.440 3.541 0 1 FHAF COc1cccc([C@@]2(CC3OCCO3)NCCc3c2sc(C)c3C)c1 963027237 PVNLDXJDFQWPOK-HXUWFJFHSA-N 359.491 3.526 0 1 FHAF N=C(N)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=N)N)s4)s3)nc2c1 1857633519 TZERAARLTVPLOA-UHFFFAOYSA-N 366.475 3.588 0 1 FHAF Cc1ccc(OCC2CC2)c(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)c1 225935800 CLOYPTYRSHJGFE-UHFFFAOYSA-N 363.417 3.945 0 1 FHAF CCN1C(=O)CSc2ccc(C(=O)NCc3ccccc3Cl)cc21 3040841 ZUUIELUJQSZOTK-UHFFFAOYSA-N 360.866 3.729 0 1 FHAF COCC(=O)n1ncc(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1N 20418956 YPWGPTRBCPAGJI-UHFFFAOYSA-N 371.824 3.651 0 1 FHAF Nc1cccc(-c2cnnc(N3CC[C@@H](c4cccc(Cl)c4)C3)n2)c1 103226927 BAWULSPDKNVAJY-OAHLLOKOSA-N 351.841 3.768 0 1 FHAF COc1cc(-c2snnc2-c2ccc3c(c2)OCO3)cc(OC)c1OC 28820914 GNSIGKCUUIANFO-UHFFFAOYSA-N 372.402 3.627 0 1 FHAF C[C@]1(C(=O)NCCc2ccccc2)Cc2c(-c3ccccc3)ccnc2O1 61907426 DCJXQKBWLCSAGO-HSZRJFAPSA-N 358.441 3.801 0 3 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 29310979 VDSHRIABCYXDCJ-OBAATPRFSA-N 353.506 3.979 0 1 FHAF O=C1C[C@H](c2ccc(F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27100922 SPILXCGVDVWRIC-LLVKDONJSA-N 357.768 3.944 0 1 FHAF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(Cc3ccc(OC)cc3)C1)C2 2356630853 HCIWNEOXLAURBZ-HKUYNNGSSA-N 350.462 3.509 0 1 FHAF C[C@@H]1CN(c2ccccc2Sc2ccc(F)cc2)[C@H](C)CN1CC(=O)O 36143348 MKKFPVZTAAVTDJ-HUUCEWRRSA-N 374.481 3.961 0 1 FHAF Cc1ccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)cn1 219724195 AOODIZCJWOVZRK-QHCPKHFHSA-N 374.484 3.855 0 1 FHAF CCOC(=O)[C@@]12C[C@]1(Cc1ccccc1)c1cc(Cl)ccc1NC2=O 34821483 TWBYZAQKOBNUBW-UXHICEINSA-N 355.821 3.726 0 1 FHAF O=C(Nc1ccncc1)C(=O)c1cn(-c2cccc(F)c2)c2ccccc12 45339875 UXYNNPVWSAVOKI-UHFFFAOYSA-N 359.360 3.986 0 1 FHAF CC(C)CN(C)C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F 82217004 NCDPASJCWWNAIM-UHFFFAOYSA-N 356.445 3.611 0 1 FHAF COc1cc2nc(NCCCCO)nc(NC3CCCCC3)c2cc1OC 82119745 MKANVSXSOBVXLE-UHFFFAOYSA-N 374.485 3.576 0 1 FHAF COc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144858205 IFUDYENTBCTORB-GOSISDBHSA-N 360.335 3.874 0 1 FHAF Cc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cn1 96168841 SRWOEHAYBQHORG-UHFFFAOYSA-N 369.428 3.663 0 1 FHAF C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(CO)cn2C 95585568 CDVNHTOLJXASDG-UHFFFAOYSA-N 353.418 3.758 0 1 FHAF NC(=O)Nc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587244203 YDIDXZSNCJHSDK-UHFFFAOYSA-N 366.606 3.531 0 1 FHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 587148034 FDXZAXJKVGROCX-UHFFFAOYSA-N 368.343 3.680 0 1 FHAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cnncc4[nH]3)cc2F)c1 587143568 JGROCPVYTPHIQO-UHFFFAOYSA-N 364.336 3.533 0 1 FHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1 587787075 UPANPAOKHNSHIJ-UONOGXRCSA-N 352.390 3.524 0 1 FHAF COc1cccnc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774209 UAGUHGRGOZYQCY-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF CCCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597829 SAEMDSPUWGLNLM-WIYYLYMNSA-N 370.401 3.846 0 1 FHAF COc1cccc([C@@]2([C@@H](C)CN(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587385995 GIXILLXRZIJWDO-NYHFZMIOSA-N 368.477 3.644 0 1 FHAF Cc1c(F)ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587197647 RFZVVBBUFRJCII-CYBMUJFWSA-N 363.433 3.927 0 1 FHAF FC(F)(F)c1ncc2nc(-c3cccnc3NCc3ccccc3)nc-2[nH]1 587230610 UWXYOKJPVYLZLZ-UHFFFAOYSA-N 370.338 3.997 0 1 FHAF CC[C@@]1(c2cc(C(=O)O)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423455 JUNOYWWKUSCNQT-VLIAUNLRSA-N 356.349 3.585 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587080433 MVOLMHLIQGKBAS-KRWDZBQOSA-N 356.809 3.998 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c(C(=O)O)c1C(C)C)[C@@H](C2)C3=O 587438316 NIZGPXFESHLPOU-ZSEKCTLFSA-N 369.417 3.816 0 1 FHAF COc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1C 587160492 CSQLGJXMWPIQOU-UHFFFAOYSA-N 371.803 3.979 0 1 FHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)ncc4[nH]3)cc2N1 587125481 FXJPIFROSWJFIA-LDWIPMOCSA-N 356.739 3.782 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CCC[C@H]3C2)N1 587793620 RQEKRUFAPZBCOE-BTJLNZGRSA-N 353.279 3.576 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CCO[C@H]1C21CCC1 587837796 LDDJZTYQTWFVGH-HKXICLBPSA-N 366.274 3.907 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(CC(C(=O)O)C3)C2)N1 587824689 CMJCTWOIDGXTKB-CHBNIXEVSA-N 368.246 3.593 0 1 FHAF CC1CCC(NS(=O)(=O)Cc2nc3cccc(C(C)(C)C)c3[nH]2)CC1 586952626 JXVFGWIJFUSDNH-UHFFFAOYSA-N 363.527 3.859 0 1 FHAF COc1cccc2cc3c(nc12)[C@]1(NCC3)[C@@H]2CC=C[C@@H]2C1(Cl)Cl 963047421 PYMUQASWTLUDMD-QWQRMKEZSA-N 361.272 3.964 0 1 FHAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)c2c(F)cccc2C[C@H]2CCCN21 963094280 LSOKVKBZMPSEFF-VGOFRKELSA-N 366.436 3.831 0 1 FHAF CCOC(=O)Cn1c(C)cc2c1CCC[C@@]21NCCc2ccc(F)c(C)c21 962294299 BQEWMLMTYDWCGN-JOCHJYFZSA-N 370.468 3.533 0 1 FHAF CN1CCc2c(Br)cccc2[C@H]1c1cccn(C(F)F)c1=O 963288434 AYPHROCHMLDFDM-AWEZNQCLSA-N 369.209 3.583 0 1 FHAF COc1ccc([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1F 962768402 RJOZMVNKPXHHPC-CRAIPNDOSA-N 367.342 3.744 0 1 FHAF O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)NCc1ccc(F)cc1 12703701 UOJXRKKVDLHMKI-UHFFFAOYSA-N 358.457 3.571 0 1 FHAF FC(F)(F)c1nc(N2CCN(c3ccccc3)CC2)nc2ccccc12 1857628785 QECPICLKAJMVGS-UHFFFAOYSA-N 358.367 3.975 0 1 FHAF O=C1N[C@@H](c2c[nH]nc2-c2ccccc2)Nc2c(Br)cccc21 1857634103 HYSATRZGOSDEQF-INIZCTEOSA-N 369.222 3.693 0 1 FHAF CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccsc1 774129 FIBDSZHTVHTYCH-AWEZNQCLSA-N 372.446 3.579 0 1 FHAF CC(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)c(C)s1 1366147 VVLBNPFTRUBZNT-JTQLQIEISA-N 355.463 3.765 0 3 FHAF CN(C)CCNc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12 1649542 MODYTBOOFFTGQC-UHFFFAOYSA-N 370.460 3.727 0 1 FHAF COc1ccc(CN2c3ccccc3OS(=O)(=O)c3cccnc32)cc1 3963156 YVBLGVMUBFCMAO-UHFFFAOYSA-N 368.414 3.510 0 1 FHAF Cc1ccc2nc(C[C@@H]3CN(CC(C)(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 2356305988 XUNHAKQKGUYQBJ-JKSUJKDBSA-N 357.498 3.873 0 1 FHAF COc1ccc(NC(=O)Cc2cs/c(=N\c3cccc(F)c3)n2C)cc1 29125196 TXOLMKRSGCFDSJ-QOCHGBHMSA-N 371.437 3.648 0 1 FHAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCCCCCc1c[nH]c(N)n1 66097785 GEFAAQIEVCNOSB-HYVNUMGLSA-N 350.507 3.892 0 1 FHAF CCOc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)[nH]n2)c(C)c1 61929544 WSZMXENDCYPSRP-UHFFFAOYSA-N 353.397 3.853 0 3 FHAF CN(CCOc1ccccc1Sc1ccc(Cl)cc1)CC(=O)O 36143372 XYYGRXKAUBORHW-UHFFFAOYSA-N 351.855 3.886 0 1 FHAF COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3OC)c2=O)cc1 73386358 OIWYVTVIDWUAIX-UHFFFAOYSA-N 372.808 3.755 0 1 FHAF C[C@H](CC[C@@H]1C(C(=O)O)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C)CC(=O)O 15061411 BNEIWLJTTLILKL-ZOLBPLDDSA-N 350.455 3.920 0 1 FHAF biogenic Cc1cc(C(=O)N2CCC[C@H](CN(C)Cc3ccc(Cl)cc3)C2)no1 70725343 CNQOJAXGWAOISR-MRXNPFEDSA-N 361.873 3.621 0 1 FHAF CC(C)CCN1CC[C@](Cc2ccccc2)(NC(=O)c2ccccc2)C1=O 36389145 ZRFGAXRJRPBQKL-HSZRJFAPSA-N 364.489 3.676 0 3 FHAF CC(C)=CCOc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O 14728353 UIFXCAYUHZVWHR-SFHVURJKSA-N 356.374 3.855 0 1 FHAF biogenic,in-vitro Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccoc1 43204904 AHORHYFCKLAFIO-LPHOPBHVSA-N 353.466 3.903 0 1 FHAF O=Cc1coc2ccc(OCc3cccc(Br)c3)cc2c1=O 84655380 HLVJIDKGASLPIU-UHFFFAOYSA-N 359.175 3.947 0 1 FHAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1 220625755 NKCGHGIOYKKQFX-UHFFFAOYSA-N 358.376 3.521 0 1 FHAF O=C(c1cnc(NC2CCCC2)nc1-c1ccccc1F)N1CCCC1 82151444 JQZVCEKSDRPDPG-UHFFFAOYSA-N 354.429 3.873 0 1 FHAF CC[C@@H](Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(OC)c1 40949269 SHNCOOYPYSACBH-DYESRHJHSA-N 368.477 3.638 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2C[C@@H]1c1ccccc12 95607341 CCNUQTMMRGAWTF-VXXKDZQQSA-N 364.445 3.814 0 1 FHAF COC(=O)CCNc1c(-c2nc3ccccc3[nH]2)c(O)nc2sccc12 299829409 KCOMLANBYLKECE-UHFFFAOYSA-N 368.418 3.520 0 1 FHAF Cc1cc(NCc2ncccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 473090822 PMZBBAAKFFFMEV-UHFFFAOYSA-N 360.339 3.668 0 1 FHAF CC(C)OC(=O)c1cc(N2C(=O)C3=C(CCCC3)[S@]2=O)ccc1Cl 299847987 AKIYRAVGZMIZBG-XMMPIXPASA-N 367.854 3.744 0 1 FHAF COc1ccccc1[C@H]1CNN=C1C(=O)c1c(O)cc(C)c(Cl)c1C 299867717 YNWLBBLVGXGIOZ-CYBMUJFWSA-N 358.825 3.597 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(F)F)N1 587719594 LHSWIYXBTOESCC-WJWGPLDTSA-N 350.178 3.562 0 1 FHAF CCOC(=O)C[C@]1(CCCC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442516 PJOUTOCOMUXEJQ-IERDGZPVSA-N 360.450 3.961 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccn2ccnc2c1 587590404 ZXYXFCLMKAQDOM-NQIIRXRSSA-N 358.353 3.743 0 1 FHAF COC(=O)C[C@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587812414 ZAAUDAQVNGZPEJ-BMLIUANNSA-N 370.262 3.681 0 1 FHAF COc1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)s2)cc1 587564694 VNVYAGAXFOAYLL-UHFFFAOYSA-N 351.387 3.840 0 1 FHAF CCOC(=O)[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353261 YPGLWALRVZEPGY-OELQTJDKSA-N 372.392 3.848 0 1 FHAF COc1cccc2c1OC[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587530502 CSPSPCJJFAJCNM-JOCHJYFZSA-N 350.414 3.913 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(Cl)cc(Cl)c21 587380533 VVYQHJGOHFFQIX-QGZVFWFLSA-N 363.200 3.697 0 1 FHAF CCc1cc(O)nc(SCc2nc3cc(Cl)nc(Cl)c3[nH]2)n1 586967240 VGUKKLGCQYMOAB-UHFFFAOYSA-N 356.238 3.615 0 1 FHAF CC[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430343 GVNRIYIGFZQZRI-OPAMFIHVSA-N 363.413 3.945 0 1 FHAF Cc1ncn(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587578831 RXKFQJUWRKYGGV-GHTZIAJQSA-N 364.401 3.626 0 1 FHAF CCn1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587754472 DOSLBYRYEWCPHE-DYZYQPBXSA-N 366.278 3.911 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)cc1F)[C@@H](C2)C3=O 587420375 FXYPPCLUDKEYQJ-SJCJKPOMSA-N 350.292 3.924 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(C(=O)OC)cccc31)CC2=O 587481790 SFVRDPQOJKOAPW-JOCHJYFZSA-N 366.413 3.938 0 1 FHAF C[C@@]1(c2[nH]nc3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590707 AIHZIOKFFFSIBU-HRAATJIYSA-N 373.368 3.541 0 1 FHAF CCC[C@@]1(CC(=O)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587522236 KLVMGAUHHDSQHV-NRFANRHFSA-N 358.434 3.592 0 1 FHAF Nc1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1C(=O)O 587248445 PVDIKCJSGRXXFG-UHFFFAOYSA-N 366.602 3.926 0 1 FHAF COc1cc(C)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1 587935023 LRZLAAHBAHUIKC-UHFFFAOYSA-N 362.227 3.663 0 1 FHAF Cc1ccc(-c2nc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)cs2)o1 587017194 SNWIJUUBSIIYOF-UHFFFAOYSA-N 359.432 3.658 0 1 FHAF O=C(c1ccc(OC(F)(F)F)cc1)n1ncc2ccc(Cl)cc2c1=O 587651888 QVCRCZSVWPAJGG-UHFFFAOYSA-N 368.698 3.637 0 1 FHAF C[C@]1([C@H]2CCCNC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346139 LGIPNAHYOGZODA-UQIDSAAFSA-N 355.409 3.649 0 1 FHAF CC(C)[C@@H](NC(=O)/C=C/c1ccccc1)NC(=S)NC1CCCCC1 1772655487 FAUDWGFVLSMWRF-KQDNUWKFSA-N 359.539 3.595 0 1 FHAF CC(C)C(=O)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCNC2 13442732 JIJFLQJIGJNGTM-UHFFFAOYSA-N 362.882 3.873 0 1 FHAF O=c1[nH]c(O)c(Cc2ccc3c(c2)CC[C@H](Cc2ccccc2)O3)s1 169714676 PMUPDWITIYZSPY-MRXNPFEDSA-N 353.443 3.669 0 1 FHAF NCC[C@H](N)CCNCC(CCc1ccccc1)CCc1ccccc1 1857577991 PNGQZFVKUXXCOD-QHCPKHFHSA-N 353.554 3.524 0 1 FHAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@@H]1c1ccc(F)cc1 1857634223 QPYOFPDMITVUKS-MRXNPFEDSA-N 371.437 3.697 0 1 FHAF O=C(Nc1ccc(Cl)cn1)N[C@@H]1C[C@@H]1c1c(F)ccc(O)c1Cl 6536590 NTNATEYJPONKDY-WCBMZHEXSA-N 356.184 3.911 0 1 FHAF O=C(Nc1ccccc1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1ccccc1)C2 103097174 ULZZPAHTFYMNFO-DZFIZOCASA-N 370.474 3.688 0 1 FHAF COc1ccc([C@H]2c3c(ccc4ccccc34)O[C@@H]3NC(=O)NC(=N)[C@@H]32)cc1 64453875 CVWPPMKSHIKWNI-CUWPLCDZSA-N 373.412 3.605 0 1 FHAF CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occc3[C@H](OC(=O)C(C)C)[C@]2(C)[C@H]1C 2356432852 ONVLUVLKVLKOKM-KMFFCPNESA-N 362.422 3.700 0 1 FHAF 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]4CC[C@]3(C)[C@H]12 2356536957 FOCHOSLOYHRWHT-MOYVTZLTSA-N 374.521 3.747 0 1 FHAF CCOC(=O)[C@@H]1CCCCN1Cc1coc(-c2cccc(OCC)c2)n1 72100944 WFRIXMYKAOOTIO-SFHVURJKSA-N 358.438 3.658 0 1 FHAF O=c1c(-c2ccccc2)nnc2n1CCN2c1ccc(Cl)c(Cl)c1 45300644 GSOBBKUFVXDSDC-UHFFFAOYSA-N 359.216 3.764 0 1 FHAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4C=CSCC4)ncn3)c2c1 225543142 IALASDWTLIQTKR-UHFFFAOYSA-N 353.451 3.832 0 1 FHAF Cc1ccc(C(=O)N2CC[C@H]3CN(c4cnc5ccccc5n4)[C@H]3C2)c(C)c1 261189243 YLPPSSAUBAJKOZ-UWJYYQICSA-N 372.472 3.598 0 1 FHAF O=C(NCc1ccnc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1 653851603 BBBIIPZFBLEZDZ-UHFFFAOYSA-N 363.808 3.603 0 1 FHAF Nc1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(F)c(F)c3)cc2)no1 653776544 HGIJGZBUIQUYEB-UHFFFAOYSA-N 355.304 3.779 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cc(Br)ncc13)O2 587373645 RUTIBPSIBGRPNL-OAHLLOKOSA-N 372.222 3.923 0 1 FHAF OCCc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586978999 FAVHCYPCXCXMRL-UHFFFAOYSA-N 352.619 3.576 0 1 FHAF CC[C@@H](C)c1ccc2[nH]c(-c3ccn(CC)n3)c(C(=O)C(=O)OC)c2c1 587641524 GWLQCBKYXZBSCE-GFCCVEGCSA-N 353.422 3.921 0 1 FHAF COc1ccc2c(c1)OCCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450947 GXPWBJANUPQRFP-IERDGZPVSA-N 352.386 3.519 0 1 FHAF O=C(NCCc1nc2cc(Cl)c(F)c(F)c2[nH]1)OCc1ccccc1 587228475 QFJWNHVPIKPKLJ-UHFFFAOYSA-N 365.767 3.963 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2N)N1 587725238 CNPWPTPEDZCXIK-VPTHRUTESA-N 353.210 3.933 0 1 FHAF Nc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575102 AOPQJTTWUMJIPO-UGKGYDQZSA-N 359.381 3.778 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn3nccc3c2)N1 587789859 AUDQDQVDFTYHFN-BMLIUANNSA-N 360.230 3.860 0 1 FHAF COc1ccc2nc(OC)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c1 587394565 HMTDFXUDNABQQP-IBGZPJMESA-N 364.401 3.849 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)ccc1OCC(=O)O)CC2=O 587481415 MEAOJSXOGNPRFW-IBGZPJMESA-N 370.401 3.823 0 1 FHAF CCCc1nc(-c2nc3nccc(Cl)c3[nH]2)nn1-c1ccccc1F 587157284 ZYKCFWQXEPWECP-UHFFFAOYSA-N 356.792 3.951 0 1 FHAF CCCCC[C@]1(CP(=O)(OC)OC)NCCc2c(C(=O)O)cccc21 963132442 QFSLTCPEXLUKHJ-GOSISDBHSA-N 369.398 3.792 0 1 FHAF Cc1ccn2nc(C)c(C(=O)NCc3ccc(OC(F)(F)F)cc3)c2c1 1772647900 DZMKSHJWKRDCGI-UHFFFAOYSA-N 363.339 3.780 0 1 FHAF CN(Cc1ccc(F)cc1)c1cncc(C(=O)Nc2ccc(F)cc2)n1 1772584689 DPNJRXYAQREPRE-UHFFFAOYSA-N 354.360 3.644 0 1 FHAF Cc1ccc(CNC(=O)[C@H]2CC(c3ccccc3C(F)(F)F)=NO2)cc1 13478523 OLSGLUALQAKBDY-QGZVFWFLSA-N 362.351 3.823 0 3 FHAF CCOC(=O)[C@@H]1CCCN(CCOc2ccc(Cc3ccccc3)cc2)C1 13860530 GNYPVAHJFKKBSG-OAQYLSRUSA-N 367.489 3.931 0 1 FHAF COC[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3C)nc2)C1 19744792 ZUQBVZPHNFDHMA-QGZVFWFLSA-N 353.466 3.501 0 1 FHAF COc1ccc(NC(=O)[C@H]2C(C)=Nc3[nH]ncc3[C@@H]2c2cccs2)cc1 169724245 YDSGZVVHIAMSTN-DLBZAZTESA-N 366.446 3.973 0 1 FHAF CN1CCC[C@@H](Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)C1 1857552361 LAOXNVXANWTNDU-GOSISDBHSA-N 351.406 3.582 0 1 FHAF COc1ccc(Nc2ccc3c(c2)[C@](O)(Cc2ccccc2)C(=O)N3)cc1 1857592252 FQVOZOGYGUMSFF-JOCHJYFZSA-N 360.413 3.821 0 1 FHAF CCC(=O)Oc1c2c(c(OC(=O)CC)c3cc(Cl)ccc13)OCO2 603458 YFBKBGMJIRSJEC-UHFFFAOYSA-N 350.754 3.853 0 1 FHAF CC=C(CO)[C@@H]1O[C@@H]2C(C)=C[C@](C)(C=CC(=O)O)[C@@H]3C(C)=C[C@]1(C)[C@@]23C 2356407230 TUUPJUMTPYTGPG-GFJXEVPCSA-N 358.478 3.888 0 1 FHAF COC(=O)C[C@@H]1CC[C@@H]2[C@@H]3CC(=O)C[C@]3(C)CC[C@H]2[C@@]1(C)CC(=O)OC 2356410663 AFGHZESPMGURDO-FSBMCNFCSA-N 364.482 3.541 0 1 FHAF COCCCN(C(=O)NCc1noc2ccccc12)[C@@H](C)c1ccncc1 6859977 WDUFVHXYESODOO-HNNXBMFYSA-N 368.437 3.532 0 1 FHAF c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3NCCCN2CCOCC2)cc1 103148627 DDKVRRFJDHJDRR-CKMQFYITSA-N 368.565 3.736 0 1 FHAF Cc1cncn1CCCN/C(=C\[N+](=O)[O-])Nc1cccc2ccccc12 101285211 MZWZFXWFIXEMPR-CPNJWEJPSA-N 351.410 3.512 0 1 FHAF O=C(O[C@@H]1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21 28243150 OMYFTZZTQULVGM-YGYUYSJASA-N 358.441 3.657 0 1 FHAF O=c1cc(-c2ccc(O)cc2)oc2ccc([125I])cc12 101079835 IFAJNNUYROKKPW-RFLHHMENSA-N 362.139 3.770 0 1 FHAF CC(C)(C)C(=O)OC[C@H]1C=C(c2ccc(Br)cc2)C(=O)OC1 64559136 NISHZGPDLSOPRE-NSHDSACASA-N 367.239 3.595 0 1 FHAF COC(=O)[C@H]1C(c2ccc3occc3c2OC)=NO[C@@H]1c1ccccc1 101039524 VYBMIDHEARFESN-FUHWJXTLSA-N 351.358 3.706 0 1 FHAF Nc1nc2ccc(OCc3ccccc3)cc2c2nc(-c3ccco3)nn12 25972354 HLVWGYRGLULGIP-UHFFFAOYSA-N 357.373 3.699 0 1 FHAF CCCC(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC 28332427 GKJDYYHDRKMDRW-UHFFFAOYSA-N 354.358 3.880 0 1 FHAF Cc1ccsc1/C=C/C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1 27519075 OUNNRESAOUHEOR-ZWNMCFTASA-N 360.460 3.818 0 1 FHAF C[C@H]1CN2CCN(Cc3ccsc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 28604385 PAJWWHPCBDKVIC-LDQXTDLNSA-N 356.535 3.938 0 1 FHAF CCN(CC)CCNCc1coc(-c2ccccc2Br)n1 72101034 WJSQZDXVHHJVGQ-UHFFFAOYSA-N 352.276 3.536 0 1 FHAF O=C1Nc2ccccc2O/C1=C\c1cc(/C=C/C(=O)N2CCCC2)cs1 40864969 KFJODGYNYZVLPL-COKRBVQGSA-N 366.442 3.756 0 1 FHAF O=C1CCC/C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2/C=C\[C@@H](CCc2ccccc2)O1 194868230 RIBUBQDYGJHEOM-BYGANKIKSA-N 370.489 3.575 0 1 FHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(F)F)cn1 142801219 QTJROJPHQVVSJN-UHFFFAOYSA-N 373.359 3.619 0 1 FHAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CCc4cc(F)ccc43)cc21 145719121 VSBJGRAQSJHLTA-QGZVFWFLSA-N 353.397 3.544 0 1 FHAF CN(C)CCN1C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O 263591485 TZYDTPVLMWSHME-HVJAJDJMSA-N 374.569 3.658 0 3 FHAF CON(C)C(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1 473127551 WVKDHKAAYGKWLB-UHFFFAOYSA-N 361.401 3.978 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn3nccc23)N1 587789634 AEGVZJJVDHJQOL-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF CCOc1n[nH]c(-c2nc3ccc(SC)cc3[nH]2)c1Br 586979442 CQTBATKCBNRHNA-UHFFFAOYSA-N 353.245 3.836 0 1 FHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C)cc(C)c3[nH]2)cc1 586940692 CDIZIZCXDCAJFR-HJWRWDBZSA-N 355.463 3.578 0 1 FHAF Cc1ccnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 587003406 UTZPEFAUGNELEZ-UHFFFAOYSA-N 356.227 3.621 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)ccnc2Cl)N1 587708095 XVEXTYROGHECJA-NXSYQRQQSA-N 370.653 3.842 0 1 FHAF COc1ccnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587771461 LVWBGZDQPHDQPV-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CNC(=O)C[C@@H]41)-c1ccccc1C2=O 587097031 NSHQOUOKIHFGMQ-MLGOLLRUSA-N 354.409 3.530 0 1 FHAF O=C(O)c1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587018172 XXKMZXXAPZICOT-UHFFFAOYSA-N 363.398 3.987 0 1 FHAF CN(C)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587573114 RPOZAXRUQSGZQH-RXVVDRJESA-N 362.385 3.556 0 1 FHAF Oc1nc(O)c2ccc(/C=C/c3cc(Br)ccc3F)nc2n1 587367993 FKBWOHLZWWRSKO-HNQUOIGGSA-N 362.158 3.508 0 1 FHAF C[C@@]1(CN2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598099 WEBIXSSEALEGSD-RXVVDRJESA-N 353.418 3.598 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@H](C)C(=O)OC)CC2=O 587471818 VQSSCSCSFTYYJN-XIKOKIGWSA-N 357.406 3.587 0 1 FHAF C[C@]1(c2cccnn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344906 HTDQDNYFHZENPC-AZUAARDMSA-N 350.349 3.596 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1CCO[C@@H]1C2(C)C 587838218 MUVVWVGKALGQHQ-SDHLHSCBSA-N 354.263 3.763 0 1 FHAF COc1ccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1OC 587928204 YANVPFDWYMKKFJ-UHFFFAOYSA-N 372.734 3.585 0 1 FHAF CC(=O)n1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2cc(C)cnc21 587389725 IYROWONVMWUBOG-OAQYLSRUSA-N 363.417 3.776 0 1 FHAF CCOC(=O)[C@@H]1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587792804 CZLFXKYNXHUYJC-WVQJBOLRSA-N 370.262 3.681 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N(C)C)N1 587754398 JNBANRBZRINFMR-QLJPJBMISA-N 364.262 3.673 0 1 FHAF OC1CCN(c2ccc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)o2)CC1 963102695 DXUVGRVMAAQUBR-GOSISDBHSA-N 367.276 3.783 0 1 FHAF COc1ccc2c(c1OC)[C@](CCC(=O)O)(c1ccccc1)N(C)[C@@H](C)C2 962623121 IEZVVYYZFAOOLM-NYHFZMIOSA-N 369.461 3.689 0 1 FHAF Oc1ccc2c(c1)[C@H](c1ncc(-c3cccc(Br)c3)[nH]1)NCC2 963340013 DXBMGMZLWBWHHS-QGZVFWFLSA-N 370.250 3.780 0 1 FHAF C[C@H](CC(=O)O)[C@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962960285 SSAMCHXVLXOQHV-PXAZEXFGSA-N 371.399 3.683 0 1 FHAF COc1cc(-c2ccc(C(C)=O)s2)cc2c1OCCN(C(=O)C1CC1)C2 1772576305 HSROUWJQZIOZMD-UHFFFAOYSA-N 371.458 3.757 0 1 FHAF CC(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714340 PFJNFQNAMKUVQS-XMUBIYBFSA-N 358.526 3.784 0 1 FHAF Fc1ccc2nc(N3CCCCCC3)nc(N=c3cc(C4CC4)[nH][nH]3)c2c1 1857634417 DAIHDXXKJSBPCS-UHFFFAOYSA-N 366.444 3.915 0 1 FHAF COc1ccc([C@H]2C=C(c3ccccc3)N3NC(=S)SC3=N2)cc1 1857757379 WUADWMADWDNZSM-OAHLLOKOSA-N 353.472 3.985 0 1 FHAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccccc4)C[C@@H]3F)[nH]c2cc1C 2356451947 XZCOQSSUDLICAP-FXAWDEMLSA-N 353.441 3.919 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCC(C)(C)CO 4273834 NIUBQNUJSBZVMX-SJORKVTESA-N 366.527 3.897 0 1 FHAF C[C@H]1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)C1 104190395 KGDVXSMYYHIJBO-USCONSEESA-N 374.484 3.782 0 1 FHAF C[C@@H](CN1C(=O)CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1=O)c1cccc(Cl)c1 101677966 GTOBYXNRRUPZQS-SHFYGJNESA-N 374.868 3.813 0 1 FHAF O=c1oc2ccccc2n1CCCCCN1CCN(C2CCCCC2)CC1 29134417 IKXKGNKEODNFRB-UHFFFAOYSA-N 371.525 3.715 0 1 FHAF O=c1[nH]nc2c3c(cccc13)N[C@H](c1ccc(F)cc1)[C@@H]2c1nccs1 117870821 MZEQOWHGLGJDMY-JKSUJKDBSA-N 364.405 3.817 0 1 FHAF COc1ccc(C[C@H](N)c2csc(NC(=O)c3cccs3)n2)cc1 61927501 OUTHXABFONQTQP-ZDUSSCGKSA-N 359.476 3.708 0 3 FHAF Clc1nc(Cl)c2ncn(C[C@H]3COc4ccccc4S3)c2n1 72179356 XFAFNWBCCHEGMQ-QMMMGPOBSA-N 353.234 3.686 0 1 FHAF O=C(OC1=C2C=CC=C3CCN(C(=O)[C@H]1c1ccccc1)[C@@H]32)c1ccccc1 72102669 FGMYBDTZWKYKQO-SFTDATJTSA-N 369.420 3.992 0 1 FHAF C[C@@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 40685374 VFTOBPQVFABRND-OSAWRWAZSA-N 359.510 3.963 0 1 FHAF CC[C@@H](C)NC(=O)c1cnc(N2CCCCC2)nc1-c1cccc(C)c1 82146303 KIIWNEZSXPLNHM-MRXNPFEDSA-N 352.482 3.971 0 1 FHAF CCN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 82143109 XEEHXOYXECVMGK-UHFFFAOYSA-N 368.412 3.622 0 1 FHAF O=c1cc(SCn2cnc3ccccc3c2=O)sc2ccccc12 96910565 MBGCBHWKNBHDLA-UHFFFAOYSA-N 352.440 3.721 0 1 FHAF CCc1cnc(Nc2cccc(F)c2)nc1NCCCNC(=O)C1CCC1 95560908 DGAUSFHTWRKBJD-UHFFFAOYSA-N 371.460 3.640 0 1 FHAF C[C@H](Oc1ccc(Cl)cc1Cl)c1ccc2c(O)nc(O)nc2n1 587369236 WLMGOABMEKDNMQ-ZETCQYMHSA-N 352.177 3.883 0 1 FHAF COC(=O)c1cc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2cc1OC 587079260 BWWLPZWTCKJYTK-INIZCTEOSA-N 358.781 3.688 0 1 FHAF c1ccc(C[C@@H]2N[C@@H](c3nc4cc5c(cc4[nH]3)OCCCO5)CS2)cc1 587041235 LTGSFAUTMRMIBK-VQIMIIECSA-N 367.474 3.671 0 1 FHAF CCN1C(=O)C[C@@H](c2nc3ccc(OC)nc3[nH]2)[C@@H]1c1ccccc1Cl 587061637 PBGWSCCWASWQJS-PXAZEXFGSA-N 370.840 3.697 0 1 FHAF O=C1C[C@H](c2cnc(C3OCCO3)s2)Oc2c1ccc1c2CCCC1 587535250 JRYVSDPBPQYJAY-OAHLLOKOSA-N 357.431 3.774 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(O)c2)N1 587836078 ZKXOEUFUWQNNBO-PWJLMRLQSA-N 352.203 3.623 0 1 FHAF CC(=O)N[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 586998270 ZMOKKZLRJIIRRO-CQSZACIVSA-N 356.425 3.748 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(F)cc(C)cc21 587470165 FBNDYHIXOMSZLF-FQEVSTJZSA-N 355.365 3.605 0 1 FHAF CC(C)[C@@H](c1nc2cnc(Cl)[nH]c-2n1)N(C)C(=O)OCc1ccccc1 587197538 GMEGBOBFJQPEAY-AWEZNQCLSA-N 373.844 3.924 0 1 FHAF CC(=O)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815649 OHCCXHQYCIZBJY-VOJFVSQTSA-N 362.242 3.955 0 1 FHAF COC(=O)C[C@@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812415 ZAAUDAQVNGZPEJ-BTDLBPIBSA-N 370.262 3.681 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc3cn[nH]c3cc2[nH]1 587044052 YAMMDZKJNSBCNO-HNNXBMFYSA-N 369.837 3.748 0 1 FHAF Cc1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 586954732 GFIUQYRUBYNQSC-UHFFFAOYSA-N 361.854 3.586 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)cc2)N1 587826761 LRYARKNCUMZDSE-ABKXIKBNSA-N 364.214 3.910 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587232072 SKYPWIMDECUMNM-RYUDHWBXSA-N 370.280 3.906 0 1 FHAF Fc1ncc(Br)cc1-c1nc2cncc(Br)c2[nH]1 587177870 DDXWLRPMFKTLEH-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF CCOC(OCC)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587401147 QJPMVCKZCJBFKT-OAQYLSRUSA-N 355.434 3.837 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cnc(N2CCCCC2)s1 963629360 BBFFPPOREGSTBH-ORAYPTAESA-N 373.522 3.774 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@H]3C[C@@H]1CCCCC12OCCO2 963056079 KXHOLZQHDPFABO-FUHWJXTLSA-N 368.477 3.754 0 1 FHAF CN1CCc2c(Br)cccc2[C@]12C=COc1cc(O)ccc12 963290163 UWILRGNBAPWXGQ-SFHVURJKSA-N 358.235 3.792 0 1 FHAF CCc1cc(OCC(=O)Nc2ccccc2OC)c2cc(OC)ccc2n1 1772647373 DMXQHVHPAKNCLC-UHFFFAOYSA-N 366.417 3.832 0 1 FHAF Cc1c(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2n1CC(F)F 1772631535 CEFJSFMTNLOCON-YIONKMFJSA-N 362.420 3.997 0 1 FHAF COCCN1CCC[C@]2(CCN(Cc3[nH]c4ccc(C)cc4c3C)C2)C1 11818765 CEHWANYPFMSEEF-QFIPXVFZSA-N 355.526 3.719 0 1 FHAF C[C@@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CC[C@H]2C)cc1 13642951 RFPKDRLIUJAMFY-CHWSQXEVSA-N 352.438 3.545 0 1 FHAF CCc1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1 1857535391 MRABWNRNUTUZGB-UHFFFAOYSA-N 358.488 3.664 0 1 FHAF CC[C@@H](C)OC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@@H](C)N2 6411773 WVXFSVJFLMMMFT-VXGBXAGGSA-N 353.426 3.946 0 1 FHAF O=c1c2cc(F)c(-c3ccc(F)nc3)cc2n(C2CC2)c2snc(O)c12 28572105 SPTFCGXHUVTWDV-UHFFFAOYSA-N 371.368 3.992 0 1 FHAF CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)cc1 22000027 CZKMWGGUVIBIOI-GOSISDBHSA-N 355.459 3.765 0 1 FHAF in-vivo C[C@@H]1Oc2c(c(O)c3c(c2[C@H](C)CC(=O)O)OC(C)(C)C=C3)C(=O)[C@H]1C 32086923 MRVZBYVLLGHZED-VWYCJHECSA-N 360.406 3.754 0 1 FHAF biogenic,in-vitro O=C(O)c1cccc(Sc2ccc(Br)cc2C(=O)O)c1 36388410 ZJBKKFVYDALTJP-UHFFFAOYSA-N 353.193 3.997 0 3 FHAF OC[C@@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F)C1CC1 216160043 QCIDLOFQAFJFBE-QGZVFWFLSA-N 354.347 3.767 0 1 FHAF Cc1ccc(-c2ccc3nnc(C(=O)N(C)[C@@H](C)c4ccco4)n3n2)cc1 199403399 CKSCDZCEBBGIHB-AWEZNQCLSA-N 361.405 3.526 0 3 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 253654773 FHWOSRUUSHMKKA-QMFOTSBISA-N 356.466 3.595 0 1 FHAF NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1cccc(C(F)(F)F)c1 653711418 JODGOVYRROPXJL-KRWDZBQOSA-N 359.351 3.935 0 1 FHAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 587028582 SKPFZMSZVSLPIX-UHFFFAOYSA-N 367.478 3.930 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 587396948 XUZULGPNQDMHMX-SZNDQCEHSA-N 374.481 3.948 0 1 FHAF COc1c(F)ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1N 587133236 MZHHIFKEIYFMKJ-UHFFFAOYSA-N 363.396 3.791 0 1 FHAF COc1ccc(OC)n1C[C@H](c1cccc(Br)c1)N(C)C 587940427 OTYNAFNWTSGVBK-CQSZACIVSA-N 353.260 3.571 0 1 FHAF CC1=C(c2ccc3nc([C@@H]4Cc5ccccc5S4)[nH]c3c2)NNC(=O)C1 587043423 ZLFVHPAEGPSHTF-KRWDZBQOSA-N 362.458 3.708 0 1 FHAF O=Cc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614655 UDOSGBUAILVIQZ-MAUKXSAKSA-N 352.367 3.969 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2N)N1 587731954 MEFZZWBPBXCHSL-ZKANADHPSA-N 353.210 3.933 0 1 FHAF O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611791 JQZPNOGGVZUZPR-CRAIPNDOSA-N 368.366 3.855 0 1 FHAF Nc1ccc(-c2ccc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c3c2)cc1N 586907466 LYGBBTYWNVDKCT-AWEZNQCLSA-N 372.428 3.975 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(C(C)(C)C)no2)N1 587798894 XIYWNDRYNCZBAO-SDBXPKJASA-N 368.250 3.892 0 1 FHAF COc1cc(C)ccc1-c1nc2cc(I)cnc2[nH]1 587926244 VQPBCTKYVPWSDA-UHFFFAOYSA-N 365.174 3.547 0 1 FHAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2n1 587087501 KKGWCOWCDGFCST-UHFFFAOYSA-N 365.780 3.522 0 1 FHAF C[C@H]1CN(C)C[C@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963816508 CUVVXVCXENNQCJ-HJPURHCSSA-N 361.489 3.669 0 1 FHAF CC1(N)CCN(c2nc(-c3ccc4cc(CO)ccc4c3)cs2)CC1 1772652605 AGSBHXCKPDBRBL-UHFFFAOYSA-N 353.491 3.773 0 1 FHAF COc1cccc(C2(NC(=O)c3ccc(-c4cn[nH]c4)c(OC)c3)CC2)c1 1772580266 RJMZRJDWOXEUNY-UHFFFAOYSA-N 363.417 3.513 0 1 FHAF NC(=O)/C=C\c1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c1 1772598024 MKFRNUYGBIWLOX-DAXSKMNVSA-N 367.302 3.987 0 1 FHAF CC(C)n1cc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cn1 12049363 JAMHPXAQYSTHNW-HXUWFJFHSA-N 361.917 3.935 0 3 FHAF O=C(Nc1ccccc1)c1[nH]c2cc(F)ccc2c1[C@@H]1CNCC[C@H]1F 13862749 WSWLUEDPQUZWSK-HZPDHXFCSA-N 355.388 3.974 0 1 FHAF O=C1CS[C@H](c2cccc(Br)c2)N1c1ccc(O)cc1 169334413 QIDJFIWQWKRBPY-OAHLLOKOSA-N 350.237 3.933 0 1 FHAF OCc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 167711964 OUWNTCJQGFUBAA-UHFFFAOYSA-N 374.429 3.866 0 1 FHAF CC1=C(C(=O)OCc2ccc(Cl)cc2)[C@H](c2ccccc2)NC(=O)N1 205377979 QYLYWJUCWCUJQA-KRWDZBQOSA-N 356.809 3.711 0 1 FHAF Cc1cc(F)cc2c(=O)nc(-c3ccc(C4CCN(C)CC4)cc3)[nH]c12 1857552622 XTEDLLOZIRDMGM-UHFFFAOYSA-N 351.425 3.847 0 1 FHAF Cc1cc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)ccn1 1857654588 YKUGUWMZBHIDFR-LJQANCHMSA-N 358.445 3.617 0 1 FHAF Cc1[nH]nc2ccc(C(=O)N3CCOC[C@H]3c3ccc(Cl)cc3)cc12 1155568308 VZPGERSMGVRRCU-SFHVURJKSA-N 355.825 3.738 0 1 FHAF O=c1c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C1CC1 4238306 OLXPQBJJGKGKCJ-UHFFFAOYSA-N 356.385 3.981 0 1 FHAF C[C@H](OC(=O)COc1ccccc1Cl)P1(=O)OCC(C)(C)CO1 103174176 ZNILFOGCKFCFGS-LLVKDONJSA-N 362.746 3.874 0 1 FHAF COc1cc([C@H]2CN=C(c3cccc4cc[nH]c34)O2)cc(OC)c1OC 27523819 RZRUWTFQUSHNHP-QGZVFWFLSA-N 352.390 3.712 0 1 FHAF c1ccc([C@@H]2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1 28883508 UFTSHWLSGKIRED-FQEVSTJZSA-N 351.494 3.572 0 1 FHAF CCC[n+]1ccc(CCC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3S2)cc1 28393394 CRMOWQKTQGSOFA-NRFANRHFSA-N 372.510 3.620 0 1 FHAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@H](c1ccccc1)n1cccc1 2356726290 SZRIPZAVWBTLLS-FKBYEOEOSA-N 365.521 3.800 0 1 FHAF COc1cccc2c1CCC[C@@H]2NCCN1CCN(C2CCCCC2)CC1 66078104 KNLPSXLZGRXFGB-QFIPXVFZSA-N 371.569 3.613 0 1 FHAF c1coc(CNc2nc(NCCCN3CCCC3)nc3ccccc23)c1 66073697 OBWGMEIIWOKUBT-UHFFFAOYSA-N 351.454 3.733 0 1 FHAF CCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 34778493 NCMFDVPAXKBZEI-YVOQDUCUSA-N 368.514 3.721 0 1 FHAF CC(=O)Nc1ccc(NC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)cc1 40862953 IZNLKUSXEMHMTH-ZUVMSYQZSA-N 350.374 3.582 0 1 FHAF COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)cc1 49046568 SVUIOHBQZIDRBC-QGZVFWFLSA-N 356.422 3.502 0 1 FHAF Cc1ccccc1CNc1ncnc2c1nc(C1CC1)n2C[C@@H]1CCCO1 82180522 XHDYBZFHPZFXQU-KRWDZBQOSA-N 363.465 3.803 0 1 FHAF Cc1ccc(C(=O)NCC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1 40918627 VRXJFGJYIQDYSE-UHFFFAOYSA-N 362.473 3.942 0 1 FHAF CC(C)CCN(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1[C@H](C)O 199737674 UTRQWQJUKJMCKA-PWZKMPOXSA-N 369.553 3.814 0 3 FHAF CC(=O)C[C@@H]1O[C@@]2(CC[C@](C)(CC(=O)O)O2)[C@]2(C)CCCC(C)(C)[C@@H]12 238757297 FKFUHHRKZZBUFR-RDWNTVFTSA-N 352.471 3.937 0 1 FHAF CCCc1c2[n+](cc3c4c(ccc13)OCO4)CCc1cc3c(cc1-2)OCO3 299828457 VZTGHVJPMHFWFD-UHFFFAOYSA-N 362.405 3.760 0 1 FHAF COc1ccc([C@H]2COc3cc(O)cc(O)c3C2=O)c2c1C=CC(C)(C)O2 96902674 MNYLMTGQUPVQKX-CQSZACIVSA-N 368.385 3.650 0 1 FHAF biogenic CSc1cn2c(n1)O[C@](C)(COc1ccc(OC(F)(F)F)cc1)C2 653737717 HDNZKYFDDJRSQX-AWEZNQCLSA-N 360.357 3.734 0 1 FHAF CC(=O)Nc1ccc(-c2cnc3ccc(-c4ccc5c(c4)OCO5)nn23)cc1 653778399 KNVUGHPLTHNTIM-UHFFFAOYSA-N 372.384 3.750 0 1 FHAF O=C(Nc1ccc(Cl)c(Cl)c1)NN1CCN(c2ccccc2)CC1 653713263 QPBXJSHNOADDHP-UHFFFAOYSA-N 365.264 3.852 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(C(=N)N)cc2[nH]1)C1CCCC1 587227272 XUTULKCKRCLXKS-OAHLLOKOSA-N 357.458 3.603 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2CCO)N1 587828050 QZZOVIYXFSCUNY-CJBNDPTMSA-N 356.279 3.890 0 1 FHAF Cc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2n1 587000878 MPIMIAZILYDHJR-ZDUSSCGKSA-N 370.254 3.753 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)ccc(F)c21 587473295 ZPIUXJDVCLOQOQ-FQEVSTJZSA-N 355.365 3.605 0 1 FHAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586962617 SXJWATWQNKFNMX-YFKPBYRVSA-N 356.238 3.801 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ncc[nH]1)c1ccco1 587586000 ANVAULZYIWOEGP-DYESRHJHSA-N 374.352 3.614 0 1 FHAF CC[C@H](O)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 586901343 SMZXSLRDCJUVOJ-INIZCTEOSA-N 350.378 3.732 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc4c(cc31)OCO4)CC2=O 587491629 ONDMNFUZTKVIHX-OAQYLSRUSA-N 368.385 3.717 0 1 FHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Br)ncc2[nH]1 586882198 MTSRNIYAGJRLEX-UHFFFAOYSA-N 372.222 3.649 0 1 FHAF O=Cc1ccc(OCCc2nc3cc(F)cc(Br)c3[nH]2)cc1 587566530 RKLGDQJZKLRXRQ-UHFFFAOYSA-N 363.186 3.899 0 1 FHAF Cc1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587774123 LPQZUKBWERGPEN-QPFGOUBPSA-N 364.262 3.927 0 1 FHAF CC[C@]1([C@H](C)C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587809972 SMRHLFNTBMSKCP-XIZWVBILSA-N 358.251 3.537 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2F)N1 587738887 ROKZQJFVNMBCIJ-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF COC(=O)c1noc(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523911 IIJLLFRTXZSYPO-FQEVSTJZSA-N 355.390 3.529 0 1 FHAF Cc1c(O)ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587608632 MDFNTHNBVPGYOZ-DYESRHJHSA-N 364.353 3.815 0 1 FHAF COc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587399977 OLKWOAWRLTVOFM-OAQYLSRUSA-N 369.417 3.620 0 1 FHAF COc1c(F)cc(F)cc1[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962727807 AYCYICMCYHOFEL-LSDHHAIUSA-N 371.305 3.709 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]31CC[C@@H]2SCCS[C@@H]21 963061949 ZQPYXHOFPHHLLU-SNRMKQJTSA-N 358.532 3.595 0 1 FHAF O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)c(F)c2)c1 146920822 DJOUORRZKJVHJG-UHFFFAOYSA-N 353.353 3.561 0 1 FHAF COc1ccc(CCCNc2nc3cc(Cl)ccc3c(=O)n2C)cc1 1772651847 OMXMVGHMBVFMRX-UHFFFAOYSA-N 357.841 3.640 0 1 FHAF N=C(C[C@@H](c1ccc(Cl)cc1)c1ccccn1)NCCc1c[nH]cn1 13490255 LUDPNDHEIUSERM-KRWDZBQOSA-N 353.857 3.790 0 1 FHAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccccc1 207657900 VGNUFLUEYYNYCK-POCHDABASA-N 364.489 3.945 0 1 FHAF COc1ccc(CCC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F 1857586158 COXVTJZPOHPAAV-UHFFFAOYSA-N 359.426 3.854 0 1 FHAF COc1ccc(-c2oc3c(C)c(OC)c(C)c(OC)c3c(=O)c2O)cc1O 1857633768 VPAIXOXPXDUQFF-UHFFFAOYSA-N 372.373 3.514 0 1 FHAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CONC(=O)CP(=O)(O)O 2046984 JAOBYUCYSAOLHS-XGGJEREUSA-N 359.403 3.631 0 1 FHAF in-vivo O=[N+]([O-])c1cc(Cl)ccc1-c1cnn(-c2nccc(C(F)(F)F)n2)c1 3591538 UIQSVGIBADLTKJ-UHFFFAOYSA-N 369.690 3.910 0 1 FHAF COC(=O)c1ccccc1NC(=O)c1noc2c1CSc1ccccc1-2 6817374 DHCRTYIFROGFRB-UHFFFAOYSA-N 366.398 3.986 0 1 FHAF CSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccncc1 8578387 LTQATRDGZPXAKD-VLURKWGBSA-N 372.450 3.732 0 1 FHAF CN(C)CCNC(=O)c1cccc2ncc(-c3ccc4ccccc4c3)nc12 13586908 MTLOFAQQCOGETD-UHFFFAOYSA-N 370.456 3.741 0 1 FHAF CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)cc1 22000022 CZKMWGGUVIBIOI-SFHVURJKSA-N 355.459 3.765 0 1 FHAF in-vivo COC(=O)[C@H]1Cc2c3n(c4ccccc24)C(=O)CC[C@H]3N1Cc1ccccc1 27638185 HIZDIZAXVJCWFM-WOJBJXKFSA-N 374.440 3.716 0 1 FHAF COc1cc([C@@H](OC(C)=O)c2ccc3c(ccn3C)c2)cc(OC)c1OC 40422955 MJIZVVHDVMJOHO-FQEVSTJZSA-N 369.417 3.857 0 1 FHAF CC1CCN(c2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)CC1 82151592 GQDHRTROZDIECW-UHFFFAOYSA-N 368.456 3.659 0 1 FHAF Cc1ncsc1[C@H](c1ccc(F)cc1)n1cc(-c2cccnc2)nn1 95557372 WJVGTELOFINAHQ-KRWDZBQOSA-N 351.410 3.882 0 1 FHAF CN(C)c1ccc(-c2cn3cc([125I])ccc3n2)cc1 100027074 GUJHUHNUHJMRII-RFLHHMENSA-N 361.203 3.672 0 1 FHAF Cc1ccc(C(=O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 116021106 CHMVPOVCEJCXRO-UHFFFAOYSA-N 355.397 3.868 0 1 FHAF CC(C)n1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1 147831320 ISOQIZINACKWNJ-GDBMZVCRSA-N 364.449 3.583 0 1 FHAF O=C(NCc1cccc(Cl)c1C(F)(F)F)[C@H]1COc2ncsc21 220861862 LMCZKNIJYGJACJ-QMMMGPOBSA-N 362.760 3.608 0 1 FHAF OC[C@@H](Nc1ncnc2sc(Br)cc12)c1ccccc1 221737183 LDQRYJQKJHOYIO-LLVKDONJSA-N 350.241 3.599 0 1 FHAF Cn1nccc1-c1cc(O[C@@H](CN)c2ccccc2)cnc1-c1ccco1 230560811 SKCQXWGZSJOXQH-FQEVSTJZSA-N 360.417 3.821 0 1 FHAF O=C1O/C(=C\c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc21 586905876 FQYWYYZGENCNOD-YHYXMXQVSA-N 360.142 3.528 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCO3 586916945 PXBIJCBQLHSHKU-RNODOKPDSA-N 350.374 3.508 0 1 FHAF Cc1nn(Cc2nc3ccc4ncccc4c3[nH]2)c(C)c1Br 586979187 SDCPKBALZQMMNM-UHFFFAOYSA-N 356.227 3.735 0 1 FHAF O=C(NCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1cscn1 587028607 UHOZDKRIENLCEK-UHFFFAOYSA-N 360.748 3.622 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](N1CCOCC1)C3 587108082 YCQAWGUDFOXJFA-OAHLLOKOSA-N 370.452 3.636 0 1 FHAF N[C@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@H]1c1ccccc1F 587153821 AFFAGFJQIVYGDO-MEDUHNTESA-N 351.303 3.942 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CCN(Cc3ccccc3)C1)O2 587395474 MQEHDCQMEBJXHU-JTSKRJEESA-N 350.462 3.823 0 1 FHAF CCC(C)(C)c1cc(C(C)=O)c(O)c(-c2ccc3c(O)nc(O)nc3n2)c1 587561776 VSFLUJSLEPFFMU-UHFFFAOYSA-N 367.405 3.699 0 1 FHAF CCOC(=O)[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592569 AHRSOPOHIXRYRJ-UTKZUKDTSA-N 370.401 3.702 0 1 FHAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587774784 XRMXFFTWCNRAJI-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)co2)N1 587831000 VANYFCVUDPKAPR-PWJLMRLQSA-N 368.202 3.677 0 1 FHAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)c1 587930500 CVPAOXYZVUYZPS-UHFFFAOYSA-N 358.401 3.895 0 1 FHAF COc1cc2c(cc1OC)[C@](CC(C)=O)(c1ccc(F)cc1)N(C)[C@@H](C)C2 962618881 FBOPVSUQDRTQBJ-FPTDNZKUSA-N 371.452 3.942 0 1 FHAF CC(C)CCOc1cccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962909302 WTYNPBJZMKFKLF-ICSRJNTNSA-N 357.425 3.939 0 1 FHAF O=C(C[C@]1(C(F)(F)F)NCCc2nc3ccccn3c21)c1cccs1 962983664 LWKZJNTTXGIOCN-INIZCTEOSA-N 365.380 3.572 0 1 FHAF O=C(O)c1cccc2c1CCN[C@H]2c1cccc(C(F)(F)C(F)(F)F)n1 963122390 MMDYLIKEPZQLST-CQSZACIVSA-N 372.293 3.669 0 1 FHAF CC[C@@H](C)NC(=O)c1c(NC(=O)c2cccc(F)c2)nc2ccc(C)cn12 1857589987 XGNWZZKHLPZIBP-CYBMUJFWSA-N 368.412 3.562 0 1 FHAF COc1ccccc1CNC(=O)[C@H](C)n1cccc1C(=O)c1ccccc1 5143622 CROMAFHCQVOYNP-INIZCTEOSA-N 362.429 3.605 0 3 FHAF COc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccco2)cc1 8578908 KEGYXOBTPFXVQX-UHFFFAOYSA-N 374.396 3.977 0 3 FHAF COc1ccc2nc(NC(=O)NCc3nc4ccccc4[nH]3)sc2c1 28864065 BRTBLQKMUVXCPU-UHFFFAOYSA-N 353.407 3.503 0 1 FHAF N[C@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)C[C@@H]1c1ccccc1 28823817 OAUNHUCZQQGDTH-MSOLQXFVSA-N 350.853 3.728 0 1 FHAF Clc1cccc(Nc2nccc(-c3cccc(N4CCNCC4)c3)n2)c1 29126316 UGXVRWRXHWTSCU-UHFFFAOYSA-N 365.868 3.950 0 1 FHAF in-vitro COc1cc2c(cc1OC)-c1ncc3c(OC)c(OC)c(OC)cc3c1C2 28460578 BHBHRKDEYBLEFP-UHFFFAOYSA-N 367.401 3.849 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](N(C=O)C5CC5)CC[C@@H]4[C@H]3CC[C@@H]12 36189724 SNGXJCVQBMSSNF-UELNVNDJSA-N 372.553 3.839 0 1 FHAF Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccccc1F)O3 34603790 AXBPVSOKKYHKPB-SFHVURJKSA-N 367.424 3.789 0 1 FHAF CN(Cc1coc(-c2ccc(O)cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 72182463 QADQPVJNDUQCPY-HXUWFJFHSA-N 363.461 3.754 0 1 FHAF Cn1c(COc2ccc(NC(=S)Nc3ccccc3)cc2)n[nH]c1=S 40957636 YWGFMIKTDPSFOZ-UHFFFAOYSA-N 371.491 3.866 0 1 FHAF Cc1cccc(CN(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2ccccc2)c1 40952095 DLXCZGQIVQQTOM-AZUAARDMSA-N 352.478 3.543 0 1 FHAF COc1cc([C@H]2CCc3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC 40409793 WWRPXYWYULKCGF-CQSZACIVSA-N 374.433 3.816 0 1 FHAF CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)c1nc2c(O)cccc2o1 96903318 UWEQJISTSAVSHV-INIZCTEOSA-N 368.389 3.667 0 1 FHAF O=C(CC1CCC2(CC1)CCN(Cc1nccs1)CC2)N1CC=CC1 96093422 SNOXIIHTEKFZDN-UHFFFAOYSA-N 359.539 3.704 0 1 FHAF COc1ccc([C@H]2c3c(n[nH]c3C)Oc3nc4c(c(N)c32)CCCC4)cc1 299829519 VICUGWSNVWQYIK-KRWDZBQOSA-N 362.433 3.869 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1C 587238966 KGDUWFSBEPJXPV-UHFFFAOYSA-N 363.396 3.686 0 1 FHAF COc1cc2c3c(c1)O[C@@H](Cc1ccc(Br)cc1)[C@@H](C2)C3=O 587416508 CGBRLXZXWAUGSD-CABCVRRESA-N 359.219 3.816 0 1 FHAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1C 587342950 QVHFNHYVRRYEGG-CTNGQTDRSA-N 366.392 3.848 0 1 FHAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 587586727 JICNMOGUGQUEES-RXVVDRJESA-N 363.369 3.673 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H]2CCCCN2)N1 587799834 ZAYVDTMPWADMKY-NDGTYSDOSA-N 355.295 3.870 0 1 FHAF Cc1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587776514 XPQVIRJXYMUPQK-RBHXEPJQSA-N 364.262 3.927 0 1 FHAF COc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1F 587073583 JXSIBBALEKNFRP-UHFFFAOYSA-N 371.803 3.979 0 1 FHAF N=c1cc[nH]cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587250235 YMPAHLXSESBVGD-UHFFFAOYSA-N 357.133 3.819 0 1 FHAF CCOC(=O)[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800471 XOWHMGQREAZKJR-PIGZYNQJSA-N 372.278 3.927 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1-c1ccncc1)CC2=O 587475028 KEWZIKYWQMBYQS-IBGZPJMESA-N 363.417 3.847 0 1 FHAF CC(=O)c1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587561920 WRIYORAWHKCNRR-UHFFFAOYSA-N 357.369 3.973 0 1 FHAF OCc1ccc(-c2cc(Cl)cc(-c3nc4c(O)ncnc4[nH]3)c2)cc1 587067837 RDCUUBBFILHSOF-UHFFFAOYSA-N 352.781 3.538 0 1 FHAF O=C(c1ccc(F)cc1F)c1c(CO)oc2cc(Br)cnc12 587275465 ALDBDQFPHSEGFY-UHFFFAOYSA-N 368.133 3.592 0 1 FHAF O=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H](c2ccccc2)N1 587527715 VZCPTRVEUPEKOM-AUSIDOKSSA-N 361.441 3.921 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2N)N1 587730800 KTTZHEPIFORDHY-ZKANADHPSA-N 353.210 3.933 0 1 FHAF CC[C@]1(C2=NCCS2)N[C@H](C)Cc2ccc(F)c(Br)c21 587856579 NLVGOOUOCGZYJS-PSLIRLAXSA-N 357.292 3.873 0 1 FHAF NC(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587163202 MGXWJBKQOHCXAS-UHFFFAOYSA-N 359.360 3.699 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCNCC3)s1)CC2=O 587493879 IKOQJZVXCILKSY-QGZVFWFLSA-N 372.490 3.522 0 1 FHAF CCc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1CC 587580068 GXNVRYQYZVHZQU-WIYYLYMNSA-N 364.401 3.874 0 1 FHAF COc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(OC)c1O 587786947 YYJIVCIKNNQNDX-UHFFFAOYSA-N 354.284 3.851 0 1 FHAF O=C(O)c1cccnc1SCc1nc2ccc(C(F)(F)F)cc2[nH]1 586967198 QHIOIVROQAVOFS-UHFFFAOYSA-N 353.325 3.967 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587115991 IKZYNLHIGLAYKS-OAHLLOKOSA-N 372.310 3.916 0 1 FHAF CCOC(=O)c1cc2cc([C@@H]3NCCc4c(C(=O)O)cccc43)ccc2o1 963131260 NAVMDXGAZSTICK-IBGZPJMESA-N 365.385 3.543 0 1 FHAF Cc1nc2c3c(c(C(=O)N4CCC4)cn2c1C)CC[C@@H](c1ccccc1)O3 13983740 RDWBXGHDEURDKU-IBGZPJMESA-N 361.445 3.863 0 1 FHAF FCCOc1ccccc1CCN1CCN(CCc2ccc(F)cc2)CC1 1857537037 QQGUWYVZNLSKTM-UHFFFAOYSA-N 374.475 3.577 0 1 FHAF C[C@@H]1CCCN1CC(=O)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1 1857588426 LBOYXLZIWDFAQX-QGZVFWFLSA-N 371.525 3.505 0 1 FHAF CC1(C)C=Cc2c(c(O)cc3c2OC[C@@H]2c4ccc5c(c4O[C@H]32)OCO5)O1 2356333831 XBRRZWFABQTPSY-CXAGYDPISA-N 366.369 3.915 0 1 FHAF O=c1c2ccccc2n2c(-c3ccsc3)nnc2n1Cc1ccccc1 6781145 RFDARMRDLBKVAB-UHFFFAOYSA-N 358.426 3.821 0 1 FHAF CC(=O)O[C@@H]1C(=O)[C@](C)(O)c2c(O)cc(C)cc2[C@@H]2[C@@H](C(C)C)CC[C@]12C 2356391973 KGGPBWHTMLVPDY-NBQZZCQVSA-N 374.477 3.578 0 1 FHAF CSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@H]2c1cccnc1 103948501 FAMYZUFUKYQSGC-KAECEXQPSA-N 372.450 3.732 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2C/C=C/C[18F] 102143580 LMVDJMCDHZLBFE-SLUNENJFSA-N 350.852 3.975 0 1 FHAF Brc1ccc(CCO[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 114825387 DKKUYUYFZQFXER-ZWKOTPCHSA-N 368.315 3.652 0 1 FHAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)Cc2c(-c3ccccc3)ccnc2O1 61908003 BNKJYAUGVZOLAX-QFIPXVFZSA-N 374.396 3.810 0 3 FHAF CN(C)c1ccc(-c2cc(-c3cccc(O)c3)c3c(N)ncnc3n2)cc1 27986567 SFEMIOJXINNYSB-UHFFFAOYSA-N 357.417 3.713 0 1 FHAF CCCN1CCC(C(=O)N[C@H](c2ccc(F)cc2)c2ncccc2C)CC1 61927148 YEUUBTSOVXVSBJ-OAQYLSRUSA-N 369.484 3.857 0 3 FHAF CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCC1CCCCC1 27560030 YXBURMMYJOWGPB-KRWDZBQOSA-N 365.514 3.886 0 1 FHAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(F)c1)c1ccco1 35259290 FUTUOGNVZDUBLQ-HNNXBMFYSA-N 358.258 3.525 0 1 FHAF COc1cc(C(=O)NCc2cc(F)ccc2Cl)ccc1-c1cn[nH]c1 213996893 OADCLEGMNAVWGX-UHFFFAOYSA-N 359.788 3.808 0 1 FHAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3cc4ccccc4cn3)cc2)S1 45369127 HMMTUBVWEUGYBC-MRXNPFEDSA-N 350.399 3.921 0 1 FHAF CC(C)Nc1cncc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1 221711091 SXGXDOZGWJTWBA-UHFFFAOYSA-N 351.439 3.546 0 1 FHAF Cc1c(Cc2c(F)cccc2F)nc(SCc2ccncc2)[nH]c1=O 40875330 ZKLDVHCGAKIXGO-UHFFFAOYSA-N 359.401 3.635 0 1 FHAF COCCn1c(-c2ccoc2)nc2c(NCc3ccccc3C)ncnc21 82180238 FRRWDMDEMYSLGV-UHFFFAOYSA-N 363.421 3.653 0 1 FHAF CC(=O)O[C@@H]1C[C@@]2(C)C[C@H]3C[C@@]3(C)[C@@H](O)[C@@H]2[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C 238754580 DPQLBRULMVPKMO-PRDFFFSYSA-N 364.526 3.539 0 1 FHAF Oc1nccc(N[C@H]2CC[C@@H](NCCF)CC2)c1-c1nc2ccccc2[nH]1 653723536 MFEHBLIYJQYSRQ-OKILXGFUSA-N 369.444 3.613 0 1 FHAF CCNCCC(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587865269 ZYARILVUUVHCDA-UHFFFAOYSA-N 355.360 3.607 0 1 FHAF O=C(O)c1ccc(-c2cc(-c3nc4ncc[nH]c-4n3)ccc2F)cc1F 587138725 SAKIYKDTADWBMD-UHFFFAOYSA-N 352.300 3.615 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1[nH]c(O)cc12 587588546 LCBZIDQZMYMCAB-NQIIRXRSSA-N 363.369 3.619 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCN(C)C2)N1 587762633 UJEDVJPNEUKUTJ-ZUCKAHLUSA-N 355.295 3.679 0 1 FHAF COc1ccc(OC)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1OC 587925329 FUQRDWVCMGHVPA-UHFFFAOYSA-N 364.304 3.577 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 587229443 ATWKKFMSFVKWJG-NXEZZACHSA-N 371.815 3.531 0 1 FHAF CCOC(=O)c1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)on1 587527997 VWOVHUGTKHOUPX-HXUWFJFHSA-N 355.390 3.611 0 1 FHAF CCC[C@]1([C@@H](C)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589835 ARAJORJODVLGMO-KPFBPEDLSA-N 370.401 3.702 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1nc4ccc(Cl)cc4n1C)[C@@H](C2)C3=O 587419863 FOSMLHIHZFNEJH-RBZFPXEDSA-N 368.820 3.898 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3CC[C@H]1N3C(=O)OC(C)(C)C)O2 587401031 RWWUCTOCGGALDD-QKAVXHIFSA-N 372.465 3.843 0 1 FHAF CCOC(=O)C[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386295 XJFWUJUFXOVXTI-HXUWFJFHSA-N 357.381 3.530 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1oc(C)nc1C 587862418 NKUNHESBKZORBP-UHFFFAOYSA-N 365.311 3.871 0 1 FHAF COC(=O)c1coc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587831037 VMKQEGCPVJABJS-GLEZIHRCSA-N 368.202 3.591 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C(=O)OC(C)(C)C)c1C)O2 587392273 YILJYFZPOALYKG-INIZCTEOSA-N 371.437 3.880 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(C(=O)O)cc1)O2 587388969 CONCERGCAFUQBS-LJQANCHMSA-N 362.385 3.773 0 1 FHAF c1cc(CSCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cs1 587026682 WVKFDAJTEPABSI-UHFFFAOYSA-N 359.520 3.890 0 1 FHAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccnc(O)c4[nH]3)c2C1 587034959 QLIOKPRBTKJSHJ-UHFFFAOYSA-N 372.450 3.685 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(C)n1)[C@@H](C2)C3=O 587412029 GUCILELGCMIHLD-APPDUMDISA-N 360.207 3.650 0 1 FHAF COc1cc2c(cc1OC)[C@@H](c1c(F)cc(F)cc1OC)N(C)[C@H](C)C2 962639199 VILWAKGWDHWPQS-GIPWTMENSA-N 363.404 3.956 0 1 FHAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cccc(F)c2)cc1 13525146 INMJJMYWGAGFLY-UHFFFAOYSA-N 350.802 3.735 0 1 FHAF C1=C(CCN2CCN(c3cccc4c3OCCO4)CC2)Cc2ccccc21 13743676 IBRYSOVHGOOYER-UHFFFAOYSA-N 362.473 3.610 0 1 FHAF CCCCOc1ccc(CNc2nc3nc(C)c(Cl)c(O)n3n2)cc1 15669017 ZTEAVIOBWNMOAW-UHFFFAOYSA-N 361.833 3.583 0 1 FHAF CCc1nc2cc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)ccc2[nH]1 150120091 FNTYYRMQLQQXEI-UHFFFAOYSA-N 370.416 3.606 0 1 FHAF Cc1ccc(-c2nc(C3CC3)no2)cc1NC(=O)c1cnc2ccccn12 206132564 TVLMBEXTOHTRNS-UHFFFAOYSA-N 359.389 3.822 0 1 FHAF COc1ccccc1NC(=O)C[C@@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 205226371 YWGQGCCYUYYHBD-IBGZPJMESA-N 373.840 3.717 0 3 FHAF O=C1CCCC2=Nc3nonc3N[C@H](c3ccc(Cl)cc3Cl)[C@@H]12 1857593372 HFRIRNBBEHYYQZ-CHWSQXEVSA-N 351.193 3.985 0 1 FHAF CCCCC=CC=CCCCC=CC=C[C@@H]1C[C@H](O)[C@@H](N)CN1C(C)=O 2356409468 KCFQJQRGGYHYSG-FSSWDIPSSA-N 360.542 3.881 0 1 FHAF COc1ccc([C@@]2(c3ccccc3)NC(=N)N(C3CCCCC3)C2=O)cc1 103243771 VPAQPYAVGLFCSO-JOCHJYFZSA-N 363.461 3.638 0 1 FHAF N=C(N)c1ccc2nc(Cc3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]c2c1 28569918 JZGFWSOLDAKTTB-UHFFFAOYSA-N 359.220 3.621 0 1 FHAF O=c1cc(-n2cc(-c3ccccc3)nn2)c2cc(Br)ccc2o1 103271600 ICIDSSHWULEMCW-UHFFFAOYSA-N 368.190 3.803 0 1 FHAF Cn1c(O)c([C@@](C)(Br)Nc2ccccc2)c(=O)c2ccccc21 5529952 OQAMCSRWQLHHJP-SFHVURJKSA-N 373.250 3.924 0 1 FHAF biogenic Cc1cc(NCCCn2ccnc2)n2nc(-c3cccc(F)c3)cc2n1 72185988 UDBXJCNCKXRTPF-UHFFFAOYSA-N 350.401 3.543 0 1 FHAF Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)O 40865041 NBFUBQZWLQRDFS-UHFFFAOYSA-N 370.796 3.733 0 1 FHAF COc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)n1 140135463 ZFTJTNWIESVCOY-UHFFFAOYSA-N 369.428 3.699 0 1 FHAF CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(F)cc1 95605516 FDUNNOHTHFURFN-UHFFFAOYSA-N 369.396 3.692 0 1 FHAF O=[S@@]1N=C(NCc2ccccc2)C(Nc2cc(Cl)cc(Cl)c2)=N1 253896681 OOOGERLXVFQOBE-HSZRJFAPSA-N 367.261 3.584 0 1 FHAF Cc1[nH]nc2c1[C@H](c1ccccc1F)c1c(nc3c(c1N)CCCC3)O2 299821026 IMKGZKMKWMEOOM-INIZCTEOSA-N 350.397 3.999 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(Cl)cc3)nn1)O2 587380313 SLYXEDURJQCWOH-QGZVFWFLSA-N 354.797 3.518 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2ccc(O)cc2)N1 587831582 IESBXOFIJAEKRH-ABKXIKBNSA-N 364.214 3.752 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H]2CC3=O)N1 587825764 FEPZQICTRZUQLB-YFEKEUHLSA-N 352.247 3.707 0 1 FHAF COC(=O)C(C)(C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803455 AQRVAPFKTBFXHK-XXFAHNHDSA-N 358.251 3.537 0 1 FHAF O=C(/C=C/c1nc2cc(Br)ncc2[nH]1)Nc1ccc(F)cc1 587166694 GKJZZYYMLMCEIT-AATRIKPKSA-N 361.174 3.511 0 1 FHAF C[C@@]1(C2=COCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360818 WONXRZATRZKUFW-QUCCMNQESA-N 356.349 3.537 0 1 FHAF CC[C@H](CCC(=O)OC)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596379 VIHCSMMOPUHCTK-GIWSNZPPSA-N 370.401 3.702 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccc4)nc1C)[C@@H](C2)C3=O 587435087 BOTKOSYTYZKTQH-KKSFZXQISA-N 358.397 3.949 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)O2 587393157 GIHZWODKXOLWOQ-KDOFPFPSSA-N 374.481 3.948 0 1 FHAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(Br)nc2[nH]1 587059131 OHGGREUUUBABLR-JTQLQIEISA-N 351.635 3.616 0 1 FHAF COc1cc(O)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602794 YWZRBTJRIPLBRI-WIYYLYMNSA-N 364.353 3.809 0 1 FHAF O=C1C[C@@]2(CCCC[C@@H]2Cn2cncn2)Oc2c1ccc1c2CCCC1 587516882 FWDUQQZUABSGCE-IIBYNOLFSA-N 351.450 3.751 0 1 FHAF FC(F)(F)c1ncc2nc(Cn3ccc4ccc(Cl)cc43)nc-2[nH]1 587080624 NXGNWZVAPQRIGT-UHFFFAOYSA-N 351.719 3.980 0 1 FHAF O=C1COc2cc3nc(-c4cc(-c5cccc(Cl)c5)[nH]n4)[nH]c3cc2N1 587068238 NBWVMBYJOXNTEW-UHFFFAOYSA-N 365.780 3.604 0 1 FHAF COc1ccc(-c2ccncc2[C@H]2NCCc3c2c(C(C)C)nn3C)cc1 962921306 SPFJSUIKISRRLP-JOCHJYFZSA-N 362.477 3.849 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@@]2(CCCC23CCOCC3)N1)C(F)(F)F 962729863 KDEZOWSYTINEOU-CRAIPNDOSA-N 353.384 3.508 0 1 FHAF CCCN1CCC[C@@H](c2cccc(NS(=O)(=O)C(F)(F)F)c2)C1 13738265 SWFXFUUQMZDQAK-CYBMUJFWSA-N 350.406 3.538 0 1 FHAF CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(-c2cccc(Cl)c2)n1 150074915 MTVYBHSVYWTFLM-KRWDZBQOSA-N 373.884 3.683 0 1 FHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccnc(OC)c21 1857609938 JMXSKTRJMUMIRZ-UHFFFAOYSA-N 359.429 3.744 0 1 FHAF C[C@@H]1CCCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)C1 3910057 KGDVXSMYYHIJBO-URZJWIJPSA-N 374.484 3.782 0 3 FHAF COc1ccc(S(=O)(=O)Oc2c3c(nc4ccccc24)CCCC3)cc1 28826871 RNPDWGXMXKPEKE-UHFFFAOYSA-N 369.442 3.890 0 1 FHAF Cc1cccc(Nc2nc(CCCc3ccc(O)cc3)ncc2C(N)=O)c1 28641775 VFLGTEJIFYUDAO-UHFFFAOYSA-N 362.433 3.508 0 1 FHAF COc1cc(N[C@@H](C)CCCN)c2ncccc2c1OCC(F)(F)F 28218936 OBVKWEULMVEUGZ-NSHDSACASA-N 357.376 3.724 0 1 FHAF COc1ccc(CN[C@H]2CCCC[C@H]2NCc2ccc(OC)cc2)cc1 66074811 NYHUNUXCWYCUNU-SZPZYZBQSA-N 354.494 3.894 0 1 FHAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)cn2c1 71317844 FWUPKAVKWPSTGY-UHFFFAOYSA-N 355.390 3.513 0 1 FHAF c1cc2c(cc1-c1nc3n(c1-c1ccc4c(c1)OCO4)CCS3)OCO2 34079716 CTQDSNDDBTXXJO-UHFFFAOYSA-N 366.398 3.780 0 1 FHAF N=C(N)Nc1ccc(CCCCCCc2ccc(NC(=N)N)cc2)cc1 40565598 CQYKPKIXCMJVAT-UHFFFAOYSA-N 352.486 3.643 0 1 FHAF CO[C@H]1CC[C@H]2CN(CCc3ccccc3)[C@H]1CN2Cc1ccccc1 253661024 WYUPWHUGPAKEOJ-VABKMULXSA-N 350.506 3.593 0 1 FHAF CCN(CC)C(=O)Cn1c(-c2ccc(OC)cc2)nc2c(C)cc(C)nc21 473156035 SGOGIXZBMCSNBW-UHFFFAOYSA-N 366.465 3.592 0 1 FHAF CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC 587444271 YUUDYTKIASFOHA-VFNWGFHPSA-N 354.402 3.981 0 1 FHAF Cc1ccc2c(ccc3nc(CCNC(=O)OCc4ccccc4)[nH]c32)n1 587227894 CFIDGEJTPRJEHW-UHFFFAOYSA-N 360.417 3.888 0 1 FHAF Cc1n[nH]c(C)c1C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801914 IDUINHKGIKAZBA-XYZCENFISA-N 366.278 3.920 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)cc2)N1 587824681 CLEDKXSNJIZNCR-ABKXIKBNSA-N 364.214 3.910 0 1 FHAF O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)O3)[C@@H]1c1ccc(F)cc1 587361623 ZVWTUKZBCRAZQX-URVLICCLSA-N 354.377 3.970 0 1 FHAF COc1ccc(C[C@@H](C)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1OC 587926269 MDSCUWZRRATVTP-ADLMAVQZSA-N 354.410 3.650 0 1 FHAF O=S(=O)(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C1CCCC1 586924085 GROBBPFPCVQGMR-UHFFFAOYSA-N 350.337 3.578 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc3c(cc2[nH]1)OCO3 587043806 VKTWXZUDWSAVCN-OAHLLOKOSA-N 373.821 3.601 0 1 FHAF CCc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1CC 587580038 GXNVRYQYZVHZQU-GHTZIAJQSA-N 364.401 3.874 0 1 FHAF COc1ccccc1-n1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cn1 587391502 MSHWVTFCXQHSIR-NRFANRHFSA-N 363.417 3.652 0 1 FHAF COc1c(Cc2ccccc2)cc(O)n1-c1cnc(C)c(Br)n1 587940717 KXZIVHNLJRHFNO-UHFFFAOYSA-N 374.238 3.643 0 1 FHAF CC1=C(c2ccc3nc(/C=C/c4ccc(F)cc4F)[nH]c3c2)NNC(=O)C1 587150123 KKWGJTJKMKYOLQ-QPJJXVBHSA-N 366.371 3.767 0 1 FHAF CCOC(=O)[C@@H]1C(=O)Cc2nc3cccc4c3c(c2[C@@H]1c1ccccc1)CC4 587212034 OBVAKCKWWJSWSX-JTHBVZDNSA-N 371.436 3.770 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3[nH]c(O)cc32)N1 587806864 WETVXHNKSORMTF-HUTHGQBESA-N 365.246 3.736 0 1 FHAF COC(=O)C(=O)C[C@@]1(C(C)(C)C)NCCc2c(Cl)cc(Cl)cc21 963126172 VEPHVOXXXRDFCP-QGZVFWFLSA-N 358.265 3.513 0 1 FHAF CCN1CCc2ccc([C@@H]3NCCc4cc5cccc(OC)c5nc43)cc21 963064911 HNKZNRSZDLQLPL-QFIPXVFZSA-N 359.473 3.861 0 1 FHAF Cc1cc2c(cc1F)[C@@](C)(CC(=O)NCCCc1ccccc1)NCC2 962370931 FNTYJOHODSAQHR-JOCHJYFZSA-N 354.469 3.634 0 1 FHAF Cc1cc(-c2nc3cnc(Cl)cc3n2Cc2ccccc2)cn(C)c1=O 1772602317 WIWDNGGBNSEDQQ-UHFFFAOYSA-N 364.836 3.807 0 1 FHAF Cc1ccc(CNC(=O)O[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)o1 205712745 QHYAIVCQXRZAMA-TWOQFEAHSA-N 360.454 3.528 0 3 FHAF Cn1cc(-c2cn3c(-c4cccc(OC(F)(F)F)c4)cnc3cn2)cn1 1857598429 CFXOJUMUSAEDRW-UHFFFAOYSA-N 359.311 3.695 0 1 FHAF Cc1cc(C(=O)NC2CCCC2)n(Cc2csc(N3CCCCC3)n2)c1 1857613134 BZPQRNGQRDSMSS-UHFFFAOYSA-N 372.538 3.964 0 1 FHAF COc1ccc(-n2nnc3c2CC[C@@]2(C=Cc4cc(C)ccc4O2)C3)cc1 1857620764 AGRMOPPJNDZTMJ-QFIPXVFZSA-N 359.429 3.918 0 1 FHAF O=c1c2c[nH]nc2nc(SCc2cccc(F)c2)n1-c1ccccc1 1857759475 FNFRMMHSANDSEF-UHFFFAOYSA-N 352.394 3.540 0 1 FHAF CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)cc1 4211382 JSTBZWVGUSCCRE-IEBWSBKVSA-N 372.852 3.919 0 1 FHAF COc1ccc(C2=NN(C3CCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC 26507235 OPMPGFFLKCUJGU-IAGOWNOFSA-N 354.450 3.775 0 1 FHAF COc1cccc([C@]2(c3ccccc3)NC(=N)N(C3CCCCC3)C2=O)c1 103243778 HBMNVOVUTMHYQD-QFIPXVFZSA-N 363.461 3.638 0 1 FHAF COc1ccc2ncc(Oc3ccc(O[C@@H](C)C(=O)O)cc3)nc2c1Cl 29467185 IPPWQRJDSNWWOY-JTQLQIEISA-N 374.780 3.936 0 1 FHAF CC[C@@H]1C2=CCCCn3c([C@@H]4C[C@H](C)C(=O)O4)cc(c32)[C@H]2[C@H]1OC(=O)[C@@H]2C 2356681264 NXXRQRYLLDGROE-ZZFFZUHMSA-N 369.461 3.974 0 1 FHAF COC[C@@H](C)NC(=O)c1cnc2c(-c3ccc(C(C)C)cc3)cnn2c1C 23304563 CGGPQQYOXKBDOB-CQSZACIVSA-N 366.465 3.593 0 1 FHAF CC(=CCCc1ccoc1)C[C@H](O)C[C@H](C)CCCC1=C[C@@H](O)OC1=O 2356737601 HKZBWXTURDYJCE-UXPWSPDFSA-N 362.466 3.908 0 1 FHAF CC(=O)NCCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 34096338 KHLHPLUGCKYJEO-VROINQGHSA-N 371.521 3.896 0 1 FHAF C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 31357348 ZICGJBPBLVXOBM-NKTBJTMRSA-N 372.505 3.524 0 1 FHAF CCOC(=O)C1=C(C)NC(c2cccc(F)c2)=C(C(=O)OCC)[C@H]1CC 40833945 NGTDOZLLNIHFMV-HNNXBMFYSA-N 361.413 3.566 0 1 FHAF Cc1nc2ccc(CN(C)C)cc2n2c(-c3ccccc3Cl)nnc12 95593610 XEABXHPHIWCPSN-UHFFFAOYSA-N 351.841 3.968 0 1 FHAF CCOC(=O)[C@H]1[C@H](c2ccc(-c3cccn3C)cc2)C[C@H]2CC[C@H]1N2C 253646358 NXORNPDSIJCZRC-JYRKZWEQSA-N 352.478 3.822 0 1 FHAF CC(C)c1ccc2c(c1)[C@H](C1CCCCC1)N(C(=O)CNC[C@@H](C)O)CC2 473096851 BZBYXFYFSMCKBS-HXOBKFHXSA-N 372.553 3.787 0 1 FHAF O=c1ccc2cc(-c3nc4c(O)c(Br)ccc4[nH]3)ccc2o1 586916575 JFBMHZVOJNVQBJ-UHFFFAOYSA-N 357.163 3.804 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Oc4ccc(O)cc41)[C@@H](C2)C3=O 587452525 DPTGDDLSEDYZNW-YCRPNKLZSA-N 352.386 3.605 0 1 FHAF O=C(/C=C\c1nc2c(Br)ccnc2[nH]1)Nc1ccc(F)cc1 587166202 ABZGPASFZXPJBM-WAYWQWQTSA-N 361.174 3.511 0 1 FHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(C2CC2)nn1 587662322 ZMDMSJGFPFMGJD-UHFFFAOYSA-N 358.376 3.859 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccccn12 587587570 OMWZQFAGURSTEA-NQIIRXRSSA-N 358.353 3.743 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587434013 ZOBMQOUQTPCVRH-XLDJFRKUSA-N 373.449 3.649 0 1 FHAF COc1cccnc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587768446 CWKUFGCWRFZGMA-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF COc1ccc2c(c1)C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599902 IRCZYBLGMUCCEH-REWPJTCUSA-N 374.392 3.900 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccc(N)cc41)[C@@H](C2)C3=O 587434709 YWQCPJLUMDYRRC-WMZHIEFXSA-N 355.393 3.949 0 1 FHAF COc1ccc2c(c1)OCCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450949 GXPWBJANUPQRFP-IIBYNOLFSA-N 352.386 3.519 0 1 FHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Cl)ncc2[nH]1 586973621 PSUFVMXQEWFUME-HNNXBMFYSA-N 360.870 3.722 0 1 FHAF COc1ccc(C)c2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522372 FOBACNHJANIREZ-JOCHJYFZSA-N 363.413 3.695 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccn([C@H]3CCCCO3)n1)CC2=O 587476929 SEFSDCRVDASZPB-RBUKOAKNSA-N 356.422 3.947 0 1 FHAF CCOC(=O)[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795265 IGEKLOVWQPCBIE-APPDUMDISA-N 372.278 3.927 0 1 FHAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)C2 586886146 OJEUALBMXAYMQM-FXQIFTODSA-N 356.735 3.616 0 1 FHAF FC(F)(F)c1nn(CCc2nc3cnccc3[nH]2)c(C2CC2)c1Cl 587116846 LCALFHYLYHHWHH-UHFFFAOYSA-N 355.751 3.947 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3n[nH]cc32)[C@H]1c1ccc(F)cc1 587346117 LETGSEHOBKQAIZ-PZJWPPBQSA-N 364.376 3.845 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CCC[C@@H]3C2)N1 587794444 VALIJQPIOJPIGK-CJBNDPTMSA-N 353.279 3.576 0 1 FHAF CN(C)C(=O)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587230665 WNTJRFHAYVZISO-UHFFFAOYSA-N 371.444 3.939 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)cnn2C)N1 587700070 UKCKXECIZLLZFP-GLEZIHRCSA-N 372.669 3.773 0 1 FHAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Br)ncc3[nH]2)cc1 587935259 HKQXPHMTCHKFMX-BJOHPYRUSA-N 362.227 3.566 0 1 FHAF Cc1c(O)ccc2c1[C@@]1(C[C@H](C(C)C)c3ccccc31)N[C@H](C(=O)O)C2 963491421 NPXJFKZNNBABGO-NRJQMVOHSA-N 351.446 3.686 0 1 FHAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc(OC(F)(F)F)ccc12 1772625821 WIKZEYZKRGVBAV-UHFFFAOYSA-N 368.355 3.709 0 1 FHAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(OCC(=O)O)cc1 12358168 NCGSRUIHTLREIE-UHFFFAOYSA-N 353.374 3.735 0 1 FHAF C[C@@](O)(C(=O)Nc1cccc(C(=O)c2ccccc2)c1Cl)C(F)(F)F 13808678 LHSKWVQEAJUPOG-MRXNPFEDSA-N 371.742 3.823 0 1 FHAF CC(C)(C)n1ncc2c(=O)n(Cc3c(F)ccc(Cl)c3Cl)cnc21 13831272 OXPILGIMBJJHFR-UHFFFAOYSA-N 369.227 3.842 0 1 FHAF CN1O[C@@]2(N=C1N)c1cc(Cl)ccc1CC21CCc2ccccc2CC1 169700354 QUQKATHRDQFVIH-NRFANRHFSA-N 367.880 3.806 0 1 FHAF Cc1ccc(/C=C/C(=O)N[C@@H](C)c2nc3scc(C)c3c(=O)o2)s1 3584909 REURCTJXQLZXIF-MLRMMBSGSA-N 360.460 3.818 0 1 FHAF CC(C)N1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H](F)C1 1857561176 VNYMKPMXOYCTFQ-KBPBESRZSA-N 366.786 3.909 0 1 FHAF CC1(C)CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857639618 SISNHKBHMNPCGS-OAHLLOKOSA-N 372.415 3.692 0 1 FHAF CC(C)C[C@@H](NC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12)C(=O)O 103229308 JJQZLGHDHPDOEO-JWFWCLOMSA-N 363.457 3.899 0 1 FHAF COc1cccc2c1[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@@H]1CC2 117398325 OSEMOEIRGCDFLV-QFBILLFUSA-N 361.445 3.906 0 1 FHAF Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCC[C@@H]4CCCC[C@H]43)nc21 116370076 OHQZQEGFDROPEO-JKSUJKDBSA-N 356.514 3.940 0 1 FHAF Cc1nnc(-c2cccc(N3CCC(N[C@@H]4CCSC4)CC3)c2)s1 23580980 VPGCLPMOJCXZHO-MRXNPFEDSA-N 360.552 3.577 0 1 FHAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCCCc1ccc(C=O)o1 27419960 SCXPVSANBMDOCW-UHFFFAOYSA-N 368.437 3.691 0 1 FHAF CC(=O)c1ccc(Oc2ncnc3sccc23)c(CN2CCOCC2)c1 25784324 UHCQGHHKCJGMBA-UHFFFAOYSA-N 369.446 3.518 0 3 FHAF COc1cccc(NC(=O)Nc2cccn(Cc3ccccc3F)c2=O)c1 64511920 GYNCQVOMZXATSF-UHFFFAOYSA-N 367.380 3.688 0 1 FHAF O=C(Cc1cccc2ncccc12)Nc1scc(Cl)c1-c1ncn[nH]1 66078018 BUCXDWXDBZUFMV-UHFFFAOYSA-N 369.837 3.916 0 1 FHAF COC(=O)c1cc(NC(=O)Nc2nc3ccc(F)cc3s2)ccc1O 34867577 XDCSMEHXAMPQAA-UHFFFAOYSA-N 361.354 3.572 0 1 FHAF CCCC[C@@H](CC)C(=O)OC[C@@]1(CO)C/C(=C/C2CCCCC2)C(=O)O1 45498468 CLLFPTVUNVEEPH-UMDQBSQQSA-N 366.498 3.931 0 1 FHAF CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccno2)cc1 45253572 HKZHQPXESCTHHD-QGZVFWFLSA-N 364.449 3.965 0 1 FHAF O=S1(=O)N=[S@](c2ccc(Br)cc2)c2ccc(F)cc21 95560562 ZYXHFBAQRDHEJZ-SFHVURJKSA-N 360.229 3.510 0 1 FHAF COc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)ccc1F 142100488 GANCUKJRSVBALL-SWLSCSKDSA-N 374.416 3.779 0 1 FHAF C[C@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)N(C)C 587190612 ISWHEMQMHOAYNA-SSDOTTSWSA-N 350.182 3.837 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2NC=Cn3cccc32)N1 587772807 OVXWYTGTZAFBBO-YKJXYISPSA-N 362.246 3.738 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(OC)c(N)c31)CC2=O 587473718 ZZAGBQDOFRGGIJ-NRFANRHFSA-N 353.418 3.742 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C)c(Br)s1)O2 587412656 JXSGKOYVOJISKU-LLVKDONJSA-N 353.241 3.811 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-n3cccn3)c(C)c1)CC2=O 587474049 CKHWZXSFAGTJPL-IBGZPJMESA-N 363.417 3.940 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c[nH]nc2c1 587594408 KRVBDNBLFDHKPG-WIYYLYMNSA-N 358.353 3.971 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2N)N1 587725237 CNPWPTPEDZCXIK-PWJLMRLQSA-N 353.210 3.933 0 1 FHAF CCCc1c(O)ccc2c1OC(C1CCOCC1)(C1CCOCC1)CC2=O 587482258 DLDAJORDXLBIOK-UHFFFAOYSA-N 374.477 3.902 0 1 FHAF Cc1nc(O)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587850279 DJZFLJZQLQWATO-NZFNHWASSA-N 371.275 3.856 0 1 FHAF C[C@H]1Cc2nc3ccc(O)c4c3c(c2C[C@@H]1C(=O)O)-c1ccccc1C4=O 586989555 BFZBNVHWZREJAS-GWCFXTLKSA-N 359.381 3.587 0 1 FHAF COc1cc2c3c(c1)O[C@H](C14CC(CC(=O)OC(C)(C)C)(C1)C4)[C@@H](C2)C3=O 587441458 UAKGFAHFCZMKIN-PZYYQUILSA-N 370.445 3.713 0 1 FHAF CCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399106 HXCYVGGSDXNWNP-NRFANRHFSA-N 369.417 3.701 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C1(C)C)O2 587396922 XDVQVFQLVNYMGW-HXUWFJFHSA-N 360.454 3.701 0 1 FHAF COc1cc2c3c(c1)OC1(CCN(c4ccc(F)cc4C)CC1)[C@@H](C2)C3=O 587429992 YIAVVYKNZYRJCF-KRWDZBQOSA-N 367.420 3.929 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2cccc(O)c2)N1 587833466 NSYUCQGPZFCIJD-FVMDXXJSSA-N 364.214 3.752 0 1 FHAF O=C(O)CCc1cccc(OCCCOc2ccc(-c3cc[nH]n3)cc2)c1 13738056 QBBQBGHXTVWLAZ-UHFFFAOYSA-N 366.417 3.942 0 1 FHAF CN(C)CCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@@H]1c1ccccc1 169329506 DHYKOXYIUQYOKQ-FPRUBCACSA-N 374.532 3.606 0 1 FHAF CCC[C@H]1[C@@H](OC(=O)N2CCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205710797 AWXVIXMNAQQCCZ-OEMYIYORSA-N 362.514 3.959 0 3 FHAF NC[C@@H](N)CCCNCC(CCc1ccccc1)CCc1ccccc1 1857581169 VFXLBZFCBPIIJS-QHCPKHFHSA-N 353.554 3.524 0 1 FHAF CC(=O)OCc1ccc2oc(=O)c(C(=O)Oc3cccc(Cl)c3)cc2c1 1660793 ZSRTUTIVYCMTOS-UHFFFAOYSA-N 372.760 3.729 0 1 FHAF CC(=O)O[C@H](CO)COC(=O)C=C(C)CCC=C(C)CCC=C(C)C 2356456349 AGTWDMOYYUBVGR-LJQANCHMSA-N 352.471 3.873 0 1 FHAF O=C(NCc1ccccn1)c1ccc2nc(N3CCCCC3)sc2c1 6802347 VDKNFKRGWROGPS-UHFFFAOYSA-N 352.463 3.612 0 1 FHAF COc1ccc(N2N=C3c4cc(Cl)ccc4OCC[C@H]3CC2=O)cc1 103223648 HHJCUNFBSDYKHF-LBPRGKRZSA-N 356.809 3.888 0 1 FHAF Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(N[C@H](C)c2cnn(C)c2)n1 20997912 GNQISJKGXVOILY-CQSZACIVSA-N 373.464 3.853 0 1 FHAF CN(CCC[C@@H](O)c1ccc(F)cc1)CCN(C)Cc1ccc(F)cc1 26816329 RQCPKEYSYMOSFY-OAQYLSRUSA-N 362.464 3.842 0 1 FHAF CCCCCc1cc(OC(C)=O)c(CCCC)c(OS(=O)(=O)O)c1 2356815547 CSYMINFUEUUSKW-UHFFFAOYSA-N 358.456 3.869 0 1 FHAF O=S(=O)(O)Oc1ccc2c3c1-c1cc(ccc1O)CCC=C[C@H]3CC2 2356828589 IIKSMQBNPNSTNO-ZDUSSCGKSA-N 358.415 3.773 0 1 FHAF Cn1cc(-c2ccc3c(c2)N(Cc2ccccc2Cl)C(=O)COC3)cn1 74374965 TZPDCHSDHMGGIQ-UHFFFAOYSA-N 367.836 3.804 0 3 FHAF COc1ccc2ccc(=O)oc2c1[C@H](OC(=O)C=C(C)C)C(=O)C(C)C 14500149 DKKNKODNHDPWFD-FQEVSTJZSA-N 358.390 3.577 0 1 FHAF biogenic O=C([C@@H]1C[C@@H](Nc2ccc3ccccc3c2)CN1)N1Cc2ccccc2C1 40835037 WFOFPRCEEYVLCT-YADHBBJMSA-N 357.457 3.525 0 1 FHAF CN(c1ccc(C#N)c2ccccc12)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 142065863 WUKNKNZOJSDCHK-MRXNPFEDSA-N 368.444 3.698 0 1 FHAF CCSc1nc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2s1 195367513 RYRKPJPYEFPGCM-RPVFDAQASA-N 356.472 3.720 0 1 FHAF COc1cc2cc3c(cc2c(-c2ccc4c(c2)OCO4)c1OC)OC(=O)C3 238735474 GUORAUUXMBLFCZ-UHFFFAOYSA-N 364.353 3.714 0 1 FHAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cc(OC(C)C)ncn3)C2)cc1 96173029 MRIUPPONUOIYSO-OAHLLOKOSA-N 369.465 3.614 0 1 FHAF O[C@@H](COc1ccc2c(c1)[nH]c1ccccc12)CN1CCOc2ccccc21 96939741 MBTWUIJKHWOZQX-MRXNPFEDSA-N 374.440 3.960 0 1 FHAF O=C(c1ccccc1F)N1CCCn2nc(COc3ccccc3)cc21 473153043 XOQJPJSVYVFMJK-UHFFFAOYSA-N 351.381 3.652 0 1 FHAF COc1cc2nc(-c3cncc(I)c3)[nH]c2cc1C 587184075 CREDTVSAEOAIOV-UHFFFAOYSA-N 365.174 3.547 0 1 FHAF COC[C@@]1(c2cccc(Cl)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425731 GWMVUWAOVWZUOA-YJYMSZOUSA-N 362.784 3.777 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3occ(C(=O)O)c31)O2 587413073 POWVSOWSPSQOHN-HXUWFJFHSA-N 355.390 3.702 0 1 FHAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(Br)c(O)c2[nH]1 586907448 LVNVPXQWBLLRIB-QMMMGPOBSA-N 361.195 3.612 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4nc(Br)ccc4[nH]3)oc12 586902999 FFYWVMZJJNLEQZ-UHFFFAOYSA-N 372.178 3.955 0 1 FHAF COC[C@]1(C2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591244 BTAKPMQASCECSC-GHTZIAJQSA-N 354.402 3.929 0 1 FHAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)s1 587013988 FTMGDWUYFJWRST-LLVKDONJSA-N 358.467 3.794 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC[C@@H]4CCCO4)c1)[C@@H](C2)C3=O 587455182 KIGIYCDAJILYQE-ZJBJCVSYSA-N 366.413 3.742 0 1 FHAF CCOC(=O)[C@H]1C(=O)Cc2nc3cccc4c3c(c2[C@@H]1c1ccccc1)CC4 587212033 OBVAKCKWWJSWSX-GMAHTHKFSA-N 371.436 3.770 0 1 FHAF COc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1OC 587081661 STICHJPXFKYBFO-UHFFFAOYSA-N 359.813 3.834 0 1 FHAF c1ccc(C[C@H](c2ccccc2)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587955181 HATOXZCTMYTGAF-LJQANCHMSA-N 366.428 3.913 0 1 FHAF Cc1cc(Br)c2[nH]c(-c3cccc(S(C)(=O)=O)c3)nc2c1 586926976 RDZBBYYSPLLNAF-UHFFFAOYSA-N 365.252 3.704 0 1 FHAF O=Cc1cc(Br)cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 586983323 YUPAGEYLNQLXAF-UHFFFAOYSA-N 363.142 3.642 0 1 FHAF COc1cc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1F 586973700 QRVZNBCWVWUGLT-QGZVFWFLSA-N 373.453 3.821 0 1 FHAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587770302 IOJBVQUVWQMCBJ-BMLIUANNSA-N 365.246 3.790 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(C)ccnc4[nH]3)c2)c1 587234759 IWWVQVUKMHLVDU-UHFFFAOYSA-N 356.429 3.884 0 1 FHAF COc1ccc2c(c1OC)[C@](CCN(C)C)(c1cccs1)N(C)[C@H](C)C2 962626913 GHNSLWILRQOOTK-VFNWGFHPSA-N 374.550 3.837 0 1 FHAF CN(C)c1cccc(-c2cnc3sc(NCc4ccncc4)nn23)c1 200740274 NNEJTZAIZSXVCB-UHFFFAOYSA-N 350.451 3.531 0 1 FHAF CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)n(C)c(=O)c12 13585111 AMABCRZTSSMQGX-UHFFFAOYSA-N 371.655 3.950 0 1 FHAF C[C@H]1C/C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 14685018 MAIXLHSZNVDUIV-MZBZXASESA-N 352.814 3.928 0 1 FHAF CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccccc1)CCCC3 169686271 HSWTUAONRDQBHN-ROUUACIJSA-N 363.461 3.960 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1C 169723935 BVIZLNPECFEXCN-AEFFLSMTSA-N 357.450 3.958 0 1 FHAF CCc1cc(Nc2nccc(-c3ccccn3)n2)cc2cc(C(=O)NC)[nH]c12 203932803 PPHLYLJLRXKWQZ-UHFFFAOYSA-N 372.432 3.686 0 1 FHAF O=C1c2c(Cl)c(COc3ccccc3)nn2CCN1c1ccc(F)cc1 205312255 IJVRAFCZLKHDLC-UHFFFAOYSA-N 371.799 3.915 0 1 FHAF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4207019 VZKDFLWDDKQWQE-PKOBYXMFSA-N 372.852 3.585 0 1 FHAF Fc1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)c1 100106395 YXAFCOKCYWCRRA-KXTWHKPSSA-N 365.477 3.889 0 1 FHAF CC(=O)c1[nH]c(C)c(-c2nc([C@]3(c4ccc(F)cc4)CCOC3)no2)c1C 20999667 QLJWPARNJANXMN-HXUWFJFHSA-N 369.396 3.730 0 1 FHAF CN(C)CCCc1ccc([C@@H]2COC(=O)N2c2ccc3[nH]cnc3c2)cc1 116193427 LUDICTAVQMUGML-FQEVSTJZSA-N 364.449 3.755 0 1 FHAF COc1cc2c(cc1OC)CN([C@H]1CCCN(Cc3ccccc3)C1)CC2 22930445 KWLGTWNZMNKIRK-NRFANRHFSA-N 366.505 3.727 0 1 FHAF O=C(/C=C/c1c(F)cccc1F)N1CCC(NCc2ccc(F)cc2)CC1 49045847 WOEJGMFWLZGRAC-CMDGGOBGSA-N 374.406 3.898 0 1 FHAF COc1cc(/C=C(\Cl)S(=O)(=O)c2ccccc2)cc(OC)c1OC 40940313 ZPWIZBMLZNVHDP-LFIBNONCSA-N 368.838 3.724 0 1 FHAF O=C1N[C@@H](c2ccc(O)cc2F)c2c[nH]c3nccc(c23)-c2ccccc21 45336309 CYAFXCZGJGHRJV-IBGZPJMESA-N 359.360 3.907 0 1 FHAF CCCCCC(=O)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 238770172 HHDYLMGNZOFWPD-RTWAWAEBSA-N 370.401 3.906 0 1 FHAF Cc1ccncc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 140138909 PAEKPBYYNQBIAY-UHFFFAOYSA-N 353.429 3.999 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587232073 SKYPWIMDECUMNM-VXGBXAGGSA-N 370.280 3.906 0 1 FHAF N=c1[nH]c2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc(O)c2o1 587509819 JKHGSPHEYADOSK-QGZVFWFLSA-N 350.374 3.531 0 1 FHAF COc1cc(OC)c2nc(-c3cc4c(C=O)ccc(OC)c4o3)[nH]c2c1 586903743 MCIVLDURKNFRFJ-UHFFFAOYSA-N 352.346 3.814 0 1 FHAF Cc1nc(C)c(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)s1 587011104 CNOOMTVIYLBHSX-UHFFFAOYSA-N 366.240 3.688 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn3ccnc23)N1 587770562 AMGKUCDMIYHFMY-MGPLVRAMSA-N 360.230 3.860 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2N[C@@H]2c2ccccc2)N1 587794972 PRZKEIQJZWIAND-MXPWSYDVSA-N 361.258 3.877 0 1 FHAF CCc1cc(O)nc(SCc2nc3cccc(Br)c3[nH]2)n1 586968476 RWSDYYVMTBGHTF-UHFFFAOYSA-N 365.256 3.676 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1[nH]c(-c4ccc[nH]4)cc1OC)[C@@H](C2)C3=O 587438032 LGZYSEGNCRVOEG-FKIZINRSSA-N 350.374 3.516 0 1 FHAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 586885865 DLFSZAFYZAYCGM-FOIQADDNSA-N 353.466 3.649 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC)c1Cl)[C@@H](C2)C3=O 587418959 CFJXUIALKGBZLT-SGTLLEGYSA-N 360.793 3.855 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccncc1Br)[C@@H](C2)C3=O 587417899 QJMJGCIVQXFQPZ-YVEFUNNKSA-N 360.207 3.516 0 1 FHAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c[nH]c(=N)[nH]c-2n1 586982575 MDNLOVZJPIFAHJ-GFCCVEGCSA-N 374.286 3.852 0 1 FHAF CCn1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587736934 CKASYAHMRBZFAF-RMLUDKJBSA-N 356.214 3.567 0 1 FHAF CSc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587841464 AYSPHGYNYBKYJF-RTHLEPHNSA-N 368.275 3.724 0 1 FHAF COC(=O)C[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H]1C 586993227 VJKGBIXGANBBNN-NWDGAFQWSA-N 373.408 3.991 0 1 FHAF CCC[C@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592563 AGSRINFPPCDDGG-GHTZIAJQSA-N 370.401 3.846 0 1 FHAF COc1cc([C@@H]2NCCc3ccc(F)c(C)c32)cc(OC)c1OC(F)F 962376528 PTNRQMWDKIQHSO-KRWDZBQOSA-N 367.367 3.988 0 1 FHAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccc(S)c2)N1 962700237 QCASOCXZPVDRDV-GJZGRUSLSA-N 371.355 3.822 0 1 FHAF CC[C@@H](C)[C@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cccc(F)c21 962923554 RFCSVEQMQKTCIX-GQNMWPQZSA-N 357.425 3.723 0 1 FHAF Clc1cc(NC2CCOCC2)c2ncc(-c3ccc4n[nH]cc4c3)n2n1 1857567736 CLMCEBACAXFRMA-UHFFFAOYSA-N 368.828 3.517 0 1 FHAF c1ccc(-c2ccc3nc(-c4ccncc4)c(CN4CCOCC4)n3c2)cc1 1857765752 JNPCAKKUWBOJGP-UHFFFAOYSA-N 370.456 3.896 0 1 FHAF O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1Nc1cccc(C(F)(F)F)c1 28387617 XFYWEUWLOVVBSJ-UHFFFAOYSA-N 371.318 3.666 0 1 FHAF COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 2487165 ZOQDHWJAGWDOJC-GOSISDBHSA-N 360.498 3.541 0 1 FHAF Nc1nc(N)c2cc([S@](=O)c3ccccc3-c3ccccc3)ccc2n1 59720572 IFWJIECPWZIVHB-AREMUKBSSA-N 360.442 3.628 0 1 FHAF CC(C)(C)n1ncc(OCc2ccc(COCC[18F])cc2)c(Cl)c1=O 100529282 RMXZKEPDYBTFOS-LRFGSCOBSA-N 367.839 3.717 0 1 FHAF in-man COc1ccc(-c2cc(C(=O)NCc3cccc(Cl)c3)[nH]n2)c(C)c1 61908756 BIIREWCUFLOKOS-UHFFFAOYSA-N 355.825 3.977 0 3 FHAF CCCCC[C@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 29240105 OMZWQYNMKBPQOL-OLZZFSTQSA-N 369.505 3.740 0 1 FHAF COc1ccc([C@H]2COc3cc4occc4cc3C2=O)c(OC)c1OC 1584830 PWEWBHDLPRFGPA-CQSZACIVSA-N 354.358 3.818 0 1 FHAF biogenic CC(C)(C)NC[C@@H](O)COc1ccc(-c2ncc(-c3ccccc3)[nH]2)cc1 39241326 FMXKXXYQOVKYOH-GOSISDBHSA-N 365.477 3.872 0 1 FHAF CCc1ccccc1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 35876598 BKJONPBKARADED-INIZCTEOSA-N 358.381 3.852 0 1 FHAF COc1cc2c(c3oc(-c4ccc(O)cc4)c(O)c(=O)c13)CCC(C)(C)O2 13398324 FHQZGKHNFJNQLJ-UHFFFAOYSA-N 368.385 3.983 0 1 FHAF biogenic CCC[C@@H](C[C@@H](CCc1ccc(OC)c(OC)c1)OC(C)=O)OC(C)=O 15256890 RZUBQNIFCCXJPU-ZWKOTPCHSA-N 366.454 3.690 0 1 FHAF biogenic CCC(CC)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 40938272 SDJGTRXAWVZJTG-UHFFFAOYSA-N 354.458 3.721 0 1 FHAF CCN(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 84670792 MGGHOCNLYXUIGU-MRXNPFEDSA-N 373.396 3.672 0 1 FHAF CCO[C@@H](Cc1cccc(C2=NO[C@@H](c3ccc(OC)cc3)C2)c1)C(=O)O 40413096 MHNZLJLTXWIQEE-UXHICEINSA-N 369.417 3.593 0 1 FHAF O=C1[C@@H]2[C@@H]3[C@@H]4[C@@H]5[C@@H](OCc6ccccc6)[C@@H]([C@H]14)[C@H]2[C@H]5[C@H]3OCc1ccccc1 195411910 QFZSTWQCQZIKSY-JGMUZZLASA-N 372.464 3.724 0 1 FHAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)ccc2c1 42888807 ICQAPXGAHLOZFW-UHFFFAOYSA-N 367.401 3.687 0 1 FHAF COCCn1c(CC(C)C)nc2c(NCCCc3ccccc3)ncnc21 82179973 NABYCKWITOUMPC-UHFFFAOYSA-N 367.497 3.716 0 1 FHAF CC1(C)[C@@H]2CC[C@]1(C)[C@@](C)(NC(=O)[C@H]1CC(=O)N(C3CCCCC3)C1)C2 195205762 UCFMNAYGTGRZRO-KFVVBQDRSA-N 360.542 3.889 0 1 FHAF O=C(Nc1cccc2c1C[C@H](O)CC2)N[C@@H]1CC[C@@H](c2ccccc2)C1 147212445 VDZTXFMUUMHYNW-GUDVDZBRSA-N 350.462 3.994 0 1 FHAF Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C)C[C@@H]34)cc2)cc1 95874473 RNZDERBTNLUMER-RJGXRXQPSA-N 350.506 3.516 0 1 FHAF C[C@@H]([C@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C 255261602 QTNGLMWAVBOBLJ-XAEASVLTSA-N 363.586 3.927 0 1 FHAF CC(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299821136 VOEVWWDYQIDNFO-LHCIGQOGSA-N 374.569 3.991 0 1 FHAF CNc1ncccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587746167 YOPPMKRBDPJRTR-BJOHPYRUSA-N 350.235 3.649 0 1 FHAF COc1cc(Cl)cc(C=O)c1OCc1nc2cncc(Cl)c2[nH]1 587065221 MLLYJGJMHOUQIB-UHFFFAOYSA-N 352.177 3.665 0 1 FHAF Oc1nc(O)c2ccc(-c3c(F)ccc(Br)c3Cl)nc2n1 587368661 UPMGLAFFCGGXLH-UHFFFAOYSA-N 370.565 3.658 0 1 FHAF COc1c(Cc2ccccc2)cc(O)n1-c1n[nH]c(-c2ccccc2F)n1 587944781 FNUQQLDERWLCFM-UHFFFAOYSA-N 364.380 3.707 0 1 FHAF COc1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(Cl)c1O 587046647 ZRLIRFGYRCOTQD-UHFFFAOYSA-N 358.760 3.922 0 1 FHAF CCOC(=O)C[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352278 WECXLAHUIAHYKG-PZJWPPBQSA-N 372.392 3.992 0 1 FHAF O=C(O)Cc1ccc(Cc2nc3cc(F)cc(Br)c3[nH]2)cc1 587962103 RJQRJCAGTIQPIA-UHFFFAOYSA-N 363.186 3.682 0 1 FHAF CC[C@]1([C@@H]2CCCNC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795846 OVQOBPMAELWVMZ-XTQGRXLLSA-N 355.295 3.727 0 1 FHAF Nc1ccc(-c2nc3cc(Br)cnc3[nH]2)c(C(F)(F)F)c1 587095815 WLKCRICXTGNESA-UHFFFAOYSA-N 357.133 3.988 0 1 FHAF COc1cc(OC)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc2c1 586982644 NGJFILPKROQZJV-UHFFFAOYSA-N 361.195 3.822 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cccs2)N1 587849235 RPWMUWJZMDNZMW-ANRSDYALSA-N 370.243 3.512 0 1 FHAF CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437636 IATKDEHLEWNNNH-SZNDQCEHSA-N 369.417 3.645 0 1 FHAF COCCN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587504638 KKEDBBCVOOLXOY-FQEVSTJZSA-N 366.461 3.750 0 1 FHAF CN(C)c1cccc(-c2cnc3sc(NCc4cccnc4)nn23)c1 117613617 SFPFIVBHQDDEHR-UHFFFAOYSA-N 350.451 3.531 0 1 FHAF Cc1cc(C(=O)c2ccccc2)cc(C)c1NC(=O)[C@](C)(O)C(F)(F)F 13760221 AVTUPSUJJQVSEQ-SFHVURJKSA-N 365.351 3.786 0 1 FHAF C[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 14967372 SPBFNRFRJLBCIQ-ZETCQYMHSA-N 366.261 3.697 0 1 FHAF CC[C@@H]1CN(C(=O)/C=C/c2ccccc2)CC(=O)N1Cc1ccc(C)cc1 14980396 SQNBKNGZQHNTGX-QZMUEMGWSA-N 362.473 3.658 0 1 FHAF CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)C1CCC(CO)CC1 201109448 VTKJPJMEJJQIAM-LTLARIRFSA-N 355.522 3.926 0 1 FHAF COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CCOc2ccccc2)cc1 1857767240 FXKPDZCQFDQVOK-UHFFFAOYSA-N 373.408 3.971 0 1 FHAF COc1ccc(CN(CCc2ccccc2)CC(=O)OC(C)(C)C)cc1O 103277590 QIASRVFIYLFUOO-UHFFFAOYSA-N 371.477 3.787 0 1 FHAF CNC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100807977 RZFLKYKMLWACOU-GNPFNHGDSA-N 351.277 3.606 0 1 FHAF CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(OC)c1 103701516 PKECBWVMFAHWHY-LYHOESIGSA-N 365.389 3.862 0 1 FHAF CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)sc3nncn23)cc1 27707337 VPLQJLKBIZSQAV-UHFFFAOYSA-N 355.444 3.528 0 1 FHAF CN(C)[C@H]1CCC[C@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1 63539671 VVEGARMQKNYDID-STQMWFEESA-N 370.888 3.958 0 1 FHAF CC=Cc1ccc(O[C@@H](C)[C@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 2356594885 LBYGDOQPEKTTHN-RBZFPXEDSA-N 374.433 3.952 0 1 FHAF COc1cc(OC)c2c(c1C=C[C@@H](C)O)O[C@H](c1ccccc1)CC2=O 2356668663 XNQZHTLUJNFMIV-DYVFJYSZSA-N 354.402 3.804 0 1 FHAF CN(CC[C@@H]1CN(C(=O)C2CCCC2)CC[C@H]1CC(=O)O)c1ccccc1 2356874281 YUNFJIJUISZUHY-RBUKOAKNSA-N 372.509 3.643 0 1 FHAF O=C(C1CCCC1)N1CCCC[C@H]1c1nnn(-c2cccc(Cl)c2)n1 34999326 JZKLCRLGOXZBRB-INIZCTEOSA-N 359.861 3.560 0 1 FHAF COc1cc([C@H]2CO[C@@H](c3ccc(N(C)C)cc3)O2)cc(OC)c1OC 27518867 YBYBQZPEKBJDJJ-UYAOXDASSA-N 359.422 3.565 0 1 FHAF Cc1nn(CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1[C@@H]1[C@H](C2)C1(C)C 504279816 NQHRPUQJUPOLDQ-YARHRQRXSA-N 355.526 3.914 0 1 FHAF biogenic COC(=O)c1nc(C)ccc1OCCOc1ccc(Cl)cc1Cl 73220945 MSLZKSZEWHVJNL-UHFFFAOYSA-N 356.205 3.941 0 1 FHAF COCOCc1cc(OC)c(OC)cc1-c1cc2ccc(C)cc2c(=O)[nH]1 40874884 VMOYDFBZCYQPNF-UHFFFAOYSA-N 369.417 3.641 0 1 FHAF COc1ccc([C@@H]2COc3c(cc(CC=C(C)C)c(O)c3O)C2=O)cc1 43153665 GZHUBHCWTDDVND-KRWDZBQOSA-N 354.402 3.974 0 1 FHAF CCOC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(c2ccc(C)cc2)C1 84712747 QQCLMQWFMLTQLG-UHFFFAOYSA-N 350.418 3.579 0 1 FHAF Cc1c(CN2CCN(C(=O)Nc3ccccn3)CC2)sc2ccccc12 43021960 XEXBQWZFVIPKOI-UHFFFAOYSA-N 366.490 3.954 0 1 FHAF COC(=O)C[C@@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 84757467 DUGUIBVGZCVHAK-KRWDZBQOSA-N 371.502 3.744 0 1 FHAF Cc1nc2cccnc2n2c(-c3cc(C4(O)CCC4)ccc3Cl)nnc12 145744109 JKLBRBNLOXEBJG-UHFFFAOYSA-N 365.824 3.673 0 1 FHAF COc1cc(O)c(CC=C(C)C)cc1[C@H]1COc2cc(O)ccc2C1=O 238783002 FRFHHICFNPNJOV-QGZVFWFLSA-N 354.402 3.974 0 1 FHAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)cc1 473165244 AOHAYPVSFSBLRJ-UHFFFAOYSA-N 360.369 3.949 0 1 FHAF COC(=O)c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1OC 587951045 IMBYRCQOJFIVMK-UHFFFAOYSA-N 352.390 3.956 0 1 FHAF COc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)c(C(F)(F)F)c1 587098579 TZQDNKAJSNGCRF-UHFFFAOYSA-N 358.370 3.625 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2nccn2c1 587589542 XVPSBSMHJNMILZ-WIYYLYMNSA-N 358.353 3.743 0 1 FHAF Cc1noc(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793072 JJKBQGUFRCSOKN-PWJLMRLQSA-N 353.235 3.991 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccn4)s1)[C@@H](C2)C3=O 587450683 HHTLBVDVCVPNSQ-KPZWWZAWSA-N 350.399 3.702 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)nn2)N1 587701408 BLBLGXCGSQUMKI-ANRSDYALSA-N 370.653 3.829 0 1 FHAF CC(C)(C)OC(=O)N[C@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)C1CCCC1 587225593 MEBBSEJUAGFUFW-HNNXBMFYSA-N 371.441 3.901 0 1 FHAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3nc(Cl)c[nH]c-3n2)c1 586914819 CFYBXHXQFAZIGF-UHFFFAOYSA-N 366.764 3.726 0 1 FHAF CC[C@@]1(C)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(N)ccc2O1 587392015 VXNQUOHHXQMZPW-LEWJYISDSA-N 352.434 3.971 0 1 FHAF CCc1ccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587650372 KGNIWLULNYACBG-UHFFFAOYSA-N 356.447 3.695 0 1 FHAF N=c1[nH]c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2o1 587573396 BMYOZCITYJZECV-XLIONFOSSA-N 374.352 3.649 0 1 FHAF CCCc1nc(-c2nc3cc(C)nc(C)c3[nH]2)nn1-c1ccccc1F 587156016 QNDKVIYITACXIV-UHFFFAOYSA-N 350.401 3.914 0 1 FHAF CCc1cc2c(n1Cc1ccccc1)CCc1cc3c(O)nc(O)nc3nc1-2 587557999 NVJULYBNQVCXLW-UHFFFAOYSA-N 372.428 3.614 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCOC1 587865814 KELAGGRUODEDPE-LBPRGKRZSA-N 354.328 3.644 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COCC(F)(F)F)o1)O2 587380185 CAGVFLYDCZACLB-HNNXBMFYSA-N 355.312 3.956 0 1 FHAF CC(C)OC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349909 QSUWLXTUVCZTBQ-TZIWHRDSSA-N 372.392 3.991 0 1 FHAF COC(=O)Nc1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 587243753 QCLISVXLDMELKB-UHFFFAOYSA-N 351.341 3.733 0 1 FHAF CCOC(=O)C[C@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587530514 CSZYUPOOIGAWQW-QFIPXVFZSA-N 372.461 3.649 0 1 FHAF COc1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2n1 586914444 KOFJUBKXARFSDJ-UHFFFAOYSA-N 361.357 3.735 0 1 FHAF CCn1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587582761 QUQKNGKXDWODMM-NQIIRXRSSA-N 364.401 3.928 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)Nc1cccc(C)c1 587870799 RUQHFCVQFBNJBU-UHFFFAOYSA-N 367.380 3.675 0 1 FHAF O=C(O)c1ccc(-c2cc(-c3nc4ccnc(O)c4[nH]3)ccc2F)cc1F 587138490 KXSHPPGWMQUQLO-UHFFFAOYSA-N 367.311 3.974 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(C)nc2sccn12 587873135 VDNPXBOZDONNNB-UHFFFAOYSA-N 370.409 3.794 0 1 FHAF OCc1cccc([C@H](O)CNCc2ccccc2OCc2ccccc2)c1 14966812 QPXGLRJFCBZQNF-JOCHJYFZSA-N 363.457 3.581 0 1 FHAF CCCCOc1ccc(CNc2nc3nc(CCC)cc(O)n3n2)cc1 15668977 WGNAMHAEUGKCPF-UHFFFAOYSA-N 355.442 3.573 0 1 FHAF CCC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 169340701 BNVHKYQVRYHPEF-UHFFFAOYSA-N 360.413 3.540 0 1 FHAF COC(=O)c1ccc(-c2ccc(C[C@@]3(C)SC(=O)[C@@H](C)C3=O)cc2)cc1 169720247 CSQQEQOXNNJTCA-YEJXKQKISA-N 368.454 3.920 0 1 FHAF COc1cc(-n2c(O)c3c(c2O)[C@@]2(C)CC[C@@]3(C)O2)ccc1-c1cnco1 169727152 JHNPBNMMBIQXHB-WOJBJXKFSA-N 368.389 3.807 0 1 FHAF CC(C)NC(=O)c1ccc2cc([C@@](O)(c3c[nH]cn3)C(C)C)ccc2c1 591271 XVSPNIQMNAPNKK-OAQYLSRUSA-N 351.450 3.593 0 1 FHAF Cn1cc(SCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 3581719 UWICPNUYLJPKJF-UHFFFAOYSA-N 365.502 3.619 0 3 FHAF Cc1cc(N2CCOCC2)nc2ccc(NC(=O)c3cccs3)cc12 3649728 YUJBOWUPHRDHPE-UHFFFAOYSA-N 353.447 3.694 0 1 FHAF CCOC(=O)c1[nH]c(/C=C/c2ccc(OC)cc2)c(C(=O)OCC)c1C 103223670 ZCSAZAIUXIESKT-FMIVXFBMSA-N 357.406 3.856 0 1 FHAF CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 100852716 AYIPPDCLGFAXBJ-WGSAOQKQSA-N 355.526 3.630 0 1 FHAF O=c1[nH]c2c(n3ccnc13)[C@@]1(CCCN1Cc1ccccc1)c1ccccc1-2 26738785 GDNAMHMFENXFHI-HSZRJFAPSA-N 368.440 3.543 0 1 FHAF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C2 52912456 OUKMKZRIJHPMFI-RUHJCQMXSA-N 352.837 3.749 0 1 FHAF COCCNc1nc(Oc2cccc(NC(C)=O)c2)c2sccc2n1 61908441 NVHVSZQIEQXONZ-UHFFFAOYSA-N 358.423 3.500 0 3 FHAF CO[C@]12C[C@@H]3CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@]3(C)CC1=C(C)C(=O)O2 2356688711 JRMPASZWXGEACK-XTNBKJMLSA-N 362.466 3.927 0 1 FHAF O=C1CCC[C@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@@H]12 29239260 KHSVWSHGEADZAR-WQVCFCJDSA-N 364.218 3.537 0 1 FHAF COc1cc2c(cc1OC)[C@@H](CCc1ccc3c(c1)OCO3)N(C)CC2 15148841 AGCGPVWWLORMQV-QGZVFWFLSA-N 355.434 3.594 0 1 FHAF biogenic O=C(c1nc2cc(O)ccc2[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1 35259645 LEUHIDZGNQZONK-UHFFFAOYSA-N 371.824 3.606 0 1 FHAF COc1ccc(/N=c2\[nH]ccc3[nH]c(-c4cccc(OC)c4F)nc23)cc1 74386683 LQPHSUDFQOJFFI-UHFFFAOYSA-N 364.380 3.947 0 1 FHAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccco1 82141844 FQTFDEQUYTVKOH-GOEBONIOSA-N 354.454 3.645 0 1 FHAF NC(=O)[C@H](N)Cc1c[nH]c2ccc(-c3ccc(Oc4ccccc4)cc3)cc12 146645545 IFGCPOCODJDZBS-OAQYLSRUSA-N 371.440 3.982 0 1 FHAF COc1cc(-c2ccc3nc(NC(=O)C4CCCCC4)nn3c2)ccc1O 95556514 KFVXTFMKEHNJFY-UHFFFAOYSA-N 366.421 3.629 0 1 FHAF Cn1c(=O)n(-c2ccccc2)c2c3cc(-c4ccc(N)nc4)ccc3ncc21 653844256 HCCIURCAYSLXJV-UHFFFAOYSA-N 367.412 3.522 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)([C@@H](C)Oc1ccccc1)O2 587385595 DDKYVSNXIAXESV-VNQOSQMKSA-N 366.461 3.824 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccnc2Cl)N1 587705659 NJQLWEJSVAYBDQ-GLEZIHRCSA-N 370.653 3.829 0 1 FHAF CC(C)(CO)[C@@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586900616 HSRKSOKZDMXUSC-INIZCTEOSA-N 353.447 3.892 0 1 FHAF Cc1ccc(-n2ccnc2SCc2nc3cc(N)c(N)cc3[nH]2)c(C)c1 586966366 LEULSSPCNDFJTP-UHFFFAOYSA-N 364.478 3.822 0 1 FHAF OCCc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587013273 RGBHMSHMWHKOSY-UHFFFAOYSA-N 364.268 3.861 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)nc2F)N1 587737267 DRUMNIPHVQXKQH-WJWGPLDTSA-N 357.173 3.885 0 1 FHAF Cc1c([C@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C 587518025 YWWUCYZBYPXDPT-GJCOWUBNSA-N 365.477 3.543 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cncn23)N1 587770007 HMDJUGAOQVMROO-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF COc1cccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587772533 OFRFFPCEBUEGGI-VFZGTOFNSA-N 351.219 3.615 0 1 FHAF O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)O3)[C@H]1c1ccc(F)cc1 587361622 ZVWTUKZBCRAZQX-GBQVXSQNSA-N 354.377 3.970 0 1 FHAF COC(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2n1 587225933 NTOBCJCIZSNAID-AWEZNQCLSA-N 374.441 3.501 0 1 FHAF C[C@H](O)c1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587852772 IRXGGRCAYTXERO-CYVIZDSUSA-N 371.275 3.722 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCN(Cc2ccccc2)[C@H]1C 963636116 PINXKADVWSUYLO-HKARXFIJSA-N 366.505 3.728 0 1 FHAF CCC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@@H]2C1 169333233 BQARMQQMIRQXAT-JTWMBNCASA-N 359.473 3.981 0 1 FHAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccccc3C(F)(F)F)C[C@H]12 205216402 KNQFQDFCZLVDOP-DOTOQJQBSA-N 374.362 3.889 0 3 FHAF O=C(CN(C(=O)c1ccco1)c1cccc(F)c1)NCc1ccc(F)cc1 1353841 PUPOXQZUGXOBST-UHFFFAOYSA-N 370.355 3.521 0 3 FHAF O=C(O)C[C@H]1CCN(Cc2ccccc2)C[C@H]1Cc1nc2ccccc2[nH]1 2356302728 VDHUJVZUQYFSNX-QZTJIDSGSA-N 363.461 3.718 0 1 FHAF CC[C@H]1C/C=C/C[C@H](C)Oc2ccccc2C(=O)N(C)[C@@H](C(C)C)C(=O)N1 100084600 CQYQOVCXZAQFHL-ACBJADRSSA-N 372.509 3.795 0 1 FHAF CC[C@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 101804598 KRRDPQUROQJNSW-YYLLSARXSA-N 353.506 3.979 0 1 FHAF O=C(NC1C[C@H]2CC[C@H](C1)N2C[C@@H]1CCCO1)c1ccc2ccccc2c1 101444640 VONACKKTKYGFTQ-VSKRKVRLSA-N 364.489 3.744 0 1 FHAF COc1ccc(Cl)cc1N1C(=O)[C@H]2CCCN2[C@H]1c1cccc(F)c1 58046758 ACZFESORWKUUIJ-CRAIPNDOSA-N 360.816 3.998 0 3 FHAF C[C@H](O)CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28098793 IWUPUFYAMCDDIO-LVWPNOBMSA-N 372.459 3.540 0 1 FHAF Nc1nc(-c2ccco2)c2cnn(Cc3ccc(C(F)(F)F)cc3)c2n1 29046511 IQLFDFPOVXRQQK-UHFFFAOYSA-N 359.311 3.736 0 1 FHAF Cc1cccc(CN2C[C@H](F)[C@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)n1 2356759011 ZGCOSQFRCVRPAY-FXAWDEMLSA-N 368.456 3.622 0 1 FHAF FC(F)(F)COc1ccccc1C[C@@H](c1ccccc1)N1CCNCC1 36093195 APJFYUJBFNMVNI-SFHVURJKSA-N 364.411 3.817 0 1 FHAF CN(C)C(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 36518294 OUHPLYFBOFCGTB-UHFFFAOYSA-N 371.820 3.656 0 1 FHAF N=C(Nc1ccc2c(ccn2CCCN2CCOCC2)c1)c1cccs1 72105171 GMLWPXAKHNIIIX-UHFFFAOYSA-N 368.506 3.863 0 1 FHAF O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(Cl)c(F)c2)c1Cl 72176173 GZOIUWMOSBRHIW-ZJUUUORDSA-N 373.211 3.821 0 1 FHAF COc1cc(C)c2[nH]ccc2c1[C@](C)(OC)c1nc2ncc(C#N)cc2[nH]1 219913849 HOGBCBSOBAACQQ-FQEVSTJZSA-N 361.405 3.538 0 1 FHAF O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc(C(F)(F)F)cc2nc[nH]c12 621477727 JFSFZRBPKFEHNN-UHFFFAOYSA-N 372.310 3.619 0 1 FHAF Brc1cccc(CCN2CCCN(c3cccnc3)CC2)c1 473090150 VINLHTQMFPOGEI-UHFFFAOYSA-N 360.299 3.599 0 1 FHAF C[C@H](CN1C(=O)CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1cccc(Cl)c1 299847627 GTOBYXNRRUPZQS-RMRKRWHISA-N 374.868 3.813 0 1 FHAF COC(=O)c1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cn1 587135349 XKNAIPVTZHTOMV-NSCUHMNNSA-N 369.249 3.610 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3[nH]c(C)c(C(=O)O)c31)CC2=O 587483618 NEKDVJUCLHGFQD-NRFANRHFSA-N 369.417 3.876 0 1 FHAF NC(=O)CCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508856 FOHVFPPBSNCPSH-HXUWFJFHSA-N 365.429 3.526 0 1 FHAF CS(=O)(=O)c1ccc(C(=O)CCc2cc3c4c(cccc4n2)CC3)cc1 587216427 BJFOIDJYXQVAFN-UHFFFAOYSA-N 365.454 3.552 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587079130 GVUQZAPIMJBKIM-GUYCJALGSA-N 368.828 3.664 0 1 FHAF CCN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C)C1 587344805 NSDQYVBSNAMQJC-ZFGLAFRWSA-N 369.436 3.991 0 1 FHAF Nc1cccc(Br)c1-n1c(O)cc(Cc2ccccc2)c1O 587937003 MDFMGELCNRXSIT-UHFFFAOYSA-N 359.223 3.824 0 1 FHAF CCOC(=O)CNc1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 587227437 MPVUSISWUQFBOJ-UHFFFAOYSA-N 365.220 3.907 0 1 FHAF COc1ccnc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587768904 DQCOWOQEICFGJS-BMLIUANNSA-N 365.246 3.790 0 1 FHAF CCCn1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587763661 KZYDVEUHBJJVNO-DIFFPNOSSA-N 366.278 3.992 0 1 FHAF CCOC(=O)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536315 UJINWYNQNKSTPB-HNNXBMFYSA-N 357.431 3.905 0 1 FHAF O=C(Nc1ccccc1Cl)c1nc2c(O)c(Br)ccc2[nH]1 587060908 VZJQMJXNKZHYFN-UHFFFAOYSA-N 366.602 3.937 0 1 FHAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(F)c2[nH]1 586983314 AWOIFFSCLYAEKT-LBPRGKRZSA-N 352.182 3.846 0 1 FHAF COc1ccc(/C=C\Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(OC)c1 587928435 CLDNBMIHHYNFSH-LLHWWHOWSA-N 352.394 3.560 0 1 FHAF CC1(C)Cc2nc3ccc(O)c4c3c(c2C[C@@H]1C(=O)O)-c1ccccc1C4=O 586991075 QXGKMJBJNQBJIG-CQSZACIVSA-N 373.408 3.977 0 1 FHAF Cc1ccc(-c2nnc(SCc3nc4cc(C)cnc4[nH]3)n2C)cc1 586965793 QXIUYUZHRMISHQ-UHFFFAOYSA-N 350.451 3.663 0 1 FHAF Cc1cccc([C@]2([C@H]3CCC[C@H]3C(=O)O)NCCc3ccc(O)cc32)c1 963328488 GRWBMZIMOABZOW-XQBPLPMBSA-N 351.446 3.591 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@@]2(C1)c1c(ccc(OC)c1OC)C[C@@H](C)N2C 962616633 BKWCYYBERSIMAU-IUSZMWJPSA-N 361.482 3.529 0 1 FHAF C[C@@H]1N=C(c2cccc(Br)c2)Nc2nc3ccccn3c2C1=O 1772577706 SNSTZRISSUIASS-JTQLQIEISA-N 369.222 3.540 0 1 FHAF COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@H]2O 14688358 WLRZIPVGEMNPES-KBZIOIMTSA-N 374.477 3.864 0 1 FHAF endogenous,in-man CCNC(=O)Nc1cccc(-c2cnc3cc(-c4ncccn4)ccn23)c1 169704722 VFMZSECBZUUMQD-UHFFFAOYSA-N 358.405 3.600 0 1 FHAF CN(C)C(=O)CO[C@@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205708341 YRHQDZGOAOBKTR-QGZVFWFLSA-N 364.367 3.860 0 1 FHAF O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2456077 LCURCBGBMNDJNO-RTWAWAEBSA-N 360.457 3.582 0 1 FHAF CC(=O)Oc1cc(O)c2c(c1)/C=C\CCCC(=O)CCC[C@H](C)OC2=O 105569411 CTKJAUGEWDLMLQ-UKOWJOKBSA-N 360.406 3.799 0 1 FHAF CNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)N(CC1CC1)CC3 28709207 SGHKXPYOPVKZJP-VCOUNFBDSA-N 354.494 3.873 0 1 FHAF Cc1ccc(NC(=O)c2c(NO)cc(-c3ccc(C)cc3)oc2=O)cc1 103241656 QTJZZKJMUBFYHS-UHFFFAOYSA-N 350.374 3.977 0 1 FHAF CN1[C@H]2CC[C@@H]1CC(NC(=O)c1cc(-c3ccccc3)c3ccccn13)C2 29565048 PWDFOARNHNRPNG-YQQQUEKLSA-N 359.473 3.961 0 1 FHAF O[C@H](c1ccc2c(c1)OCO2)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61905685 YMMUDPQOFDOYIU-MRXNPFEDSA-N 362.307 3.906 0 3 FHAF CC(=O)c1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1 66252072 DGBSDVLLPRGLHU-UHFFFAOYSA-N 370.522 3.862 0 1 FHAF CC(C)=CCn1cc2c(c1)S(=O)(=O)c1cc(Cl)ccc1NC2=O 33818763 SZUPCOWIUIEBQF-UHFFFAOYSA-N 350.827 3.506 0 1 FHAF NC[C@@H](NC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1 39187982 TWYNGDRSMHRPSY-MRXNPFEDSA-N 362.458 3.721 0 1 FHAF in-vivo CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2cc(CC)nc12 136109889 PGVWGWOXXXTRBI-UHFFFAOYSA-N 364.428 3.690 0 1 FHAF C[C@@]12C[C@H]3C[C@@](C(=O)N[C@@H]4CCNC[C@H]4F)(C1)C[C@@](c1ccccc1)(C3)C2 1911584001 AAKAMBVDGZOTRC-UKTYGEGKSA-N 370.512 3.731 0 1 FHAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@@H]1COc2ncccc21 144939126 NOLLGHUYWWIUQZ-GFCCVEGCSA-N 356.731 3.546 0 1 FHAF COc1cc([C@H](c2ccc(OC)c(OC)c2)[C@H](C)[C@H](C)CO)ccc1O 238764894 PURUHRMXNLKKNY-ZMOMAAQPSA-N 360.450 3.814 0 1 FHAF C[C@@H]1CN(c2nccnn2)CC[C@H]1Oc1cc(C(F)(F)F)ccc1Cl 261152737 PFTDBWKSVBQWLD-ZWNOBZJWSA-N 372.778 3.838 0 1 FHAF Cc1cccnc1NC(=O)C(Br)(C(F)(F)F)C(F)(F)F 68574041 OCYUOWDBVBPWNU-UHFFFAOYSA-N 365.071 3.587 0 1 FHAF biogenic O=C(c1ccc(C[n+]2ccccc2)cc1)c1ccc(C[n+]2ccccc2)cc1 299844649 OAILDHIKNSSGAR-UHFFFAOYSA-N 366.464 3.589 0 1 FHAF O=C1CN(C(=O)c2ccccc2)C2(CCCCC2)C(=O)N1C1CCCCC1 653874637 VLTOBCXOBHNDDX-UHFFFAOYSA-N 368.477 3.533 0 1 FHAF COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4OC(=O)[C@@H]1C)[C@@H](C2)C3=O 587423518 UWRDBVZCEKFZGV-WWGYZACGSA-N 370.788 3.547 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587036438 BFCIEUUCAZXTEI-OAHLLOKOSA-N 364.517 3.797 0 1 FHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3c(cc2[nH]1)OCCCO3 587174901 NTNXBKHPKMSXKB-AWEZNQCLSA-N 366.396 3.587 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC2OCCO2)N1 587830755 FQBOEZGKJHCMMG-GWCFXTLKSA-N 358.251 3.707 0 1 FHAF Oc1nc2cc3nc(-c4ccnc(SCC(F)(F)F)c4)[nH]c3cc2[nH]1 587093428 MIBMREQGFCYKKB-UHFFFAOYSA-N 365.340 3.861 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC23CCOCC3)N1 587833696 HKUMPDRBZOMOSH-PIGZYNQJSA-N 354.263 3.908 0 1 FHAF CCN1CC[C@]2(C[C@@H]1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582910 PEDZVGOCTSNRGI-FIKMYACPSA-N 353.418 3.597 0 1 FHAF CC[C@]1([C@@H](C)CN(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587742919 VAFFHFOCSSQYLY-XWCIJXRUSA-N 357.311 3.925 0 1 FHAF CC(C)N1C[C@H](C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346504 RTNUMCSIJSENQC-FSJXIACGSA-N 369.436 3.989 0 1 FHAF COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587771476 LWHUUOMDMJOEBM-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF O=Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587608914 NJXWVQUZXOASJL-WIYYLYMNSA-N 362.337 3.613 0 1 FHAF CC[C@]1([C@@H]2CCCNC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799892 ZTBSVSDNSDICLX-CJBNDPTMSA-N 355.295 3.727 0 1 FHAF C[C@@H]1CCc2sc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2C1 587653359 GGRFDAPPDDPGJS-SNVBAGLBSA-N 358.850 3.925 0 1 FHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)ncc2[nH]1 587174533 KGKRMHPJPOFIMM-NSHDSACASA-N 374.217 3.583 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(CC3CC3)n2)N1 587761674 CALKCFMYTFVSMH-QGHHPUGFSA-N 364.262 3.818 0 1 FHAF COC(=O)Nc1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 587243851 RVZYCRYCBHBBJI-UHFFFAOYSA-N 362.183 3.876 0 1 FHAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587577428 NOULCEMIAQZYSQ-GHTZIAJQSA-N 372.380 3.982 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3C)N1 587773382 YMVIVDHRFFSWHZ-SGPKTVCVSA-N 353.279 3.574 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCCN(C)C)O2 587388219 YEZPLNVOPJJFCH-HXUWFJFHSA-N 354.450 3.614 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccn2n1 587863672 QDTWVGYYFQGTCJ-UHFFFAOYSA-N 359.311 3.609 0 1 FHAF Cc1cc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)ccc1C(F)(F)F 962919995 AEJRGZWTBYTKOL-GOSISDBHSA-N 362.395 3.951 0 1 FHAF CN1CCN(CC2=C(Cl)c3cc(Br)ccc3SC2)CC1 1857765522 SAUSPWXORCQASO-UHFFFAOYSA-N 373.747 3.752 0 1 FHAF C[C@]12CC[C@@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 14904307 AZEYSSQIWVQIBS-WHAYKDTESA-N 356.462 3.773 0 1 FHAF O=C1C[C@@H](c2ccccc2)CC2=Nc3ccc(Cl)cc3S(=O)(=O)[C@H]12 169715398 QNFHODLDTAWLHL-SGTLLEGYSA-N 359.834 3.715 0 1 FHAF COc1cc2cncc(Cc3ccc4c(c3)OCCN4C)c2cc1OC 205657009 DMGMGJAFZOEXQW-UHFFFAOYSA-N 350.418 3.671 0 1 FHAF CN1CCCCC12CCN(C(=O)c1cccc(Br)c1)CC2 1857602409 LJSQIRNOGRTVRM-UHFFFAOYSA-N 351.288 3.540 0 1 FHAF CS(=O)(=O)c1ccc(-c2sc3ncnn3c2-c2ccccc2)cc1 601817 KFYRACZHGALBMT-UHFFFAOYSA-N 355.444 3.528 0 1 FHAF COc1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3)cc1C(F)(F)F 2005397 HSAUNWQVISCPTB-UHFFFAOYSA-N 364.367 3.954 0 1 FHAF CN(Cc1ccccc1)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 2500138 JJLQRGGBKDFHKT-UHFFFAOYSA-N 356.429 3.958 0 1 FHAF Cc1c(C(=O)NCc2cccnc2)oc2ccc3c(c12)[C@H](O)CC(C)(C)O3 6901036 LDYLDBOPIYTCDC-CQSZACIVSA-N 366.417 3.661 0 1 FHAF Nc1nc(N)c2c(n1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCc3ccccc3C1=N2 53242678 DNVQIUSHIPXGAR-HOTGVXAUSA-N 374.423 3.630 0 1 FHAF COP(=O)(OC)[C@@H](OC(=O)COc1ccccc1F)c1cccs1 103190371 OLVIIMWWLYPCDO-OAHLLOKOSA-N 374.326 3.994 0 1 FHAF CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(CSc2ccccc2)c1 29216866 MXOYNZVZBBWLLH-UHFFFAOYSA-N 373.913 3.818 0 1 FHAF Cc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1 28374790 PVELFGWIUKHGEW-UHFFFAOYSA-N 363.442 3.775 0 1 FHAF O=C(NN1CCCCC1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 28648860 XIGDSDXHJVSFBZ-UHFFFAOYSA-N 358.445 3.941 0 1 FHAF CC(C)[C@@H]1CC[C@@H]2[C@]1(C(=O)O)CC[C@]1(C)[C@H](O)[C@](C)(O)C=CC[C@]21C 2356443645 RXGKONPJVGREKM-SBXZOHCASA-N 350.499 3.618 0 1 FHAF C=C/C=C(\c1ccccc1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 29311292 DSCFYSQWGJKZKA-CAOOACKPSA-N 367.474 3.823 0 1 FHAF CC(C)c1cc(Oc2c(Cl)cc(NCC(=O)O)cc2Cl)nnc1O 34842508 BDVULFJNTQUGRM-UHFFFAOYSA-N 372.208 3.901 0 1 FHAF COc1cccc(Cn2cnc3sc(-c4ccnc(C)c4)cc3c2=O)c1 1911582379 CYTJYFCWFSYKPU-UHFFFAOYSA-N 363.442 3.885 0 1 FHAF COc1ccccc1CN1C[C@@]2(CC(C)(C)Oc3ccccc32)OCC1=O 40847525 NYPPPDUQDYVSAM-JOCHJYFZSA-N 367.445 3.511 0 1 FHAF COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(F)c3)C[C@H]1C=N2 49583154 JNAQUAAHMWVUJA-HNNXBMFYSA-N 352.365 3.814 0 1 FHAF CCc1c(Sc2cc(C)cc(C)c2)n(CC2=CCCC2)c(=O)[nH]c1=O 43017361 DCYOCDAONNWUEV-UHFFFAOYSA-N 356.491 3.977 0 1 FHAF COCOCc1cc(OC)c(OC)cc1-c1cc2cc(C)ccc2c(=O)[nH]1 40874882 JEJMNSRRNSKICF-UHFFFAOYSA-N 369.417 3.641 0 1 FHAF CN(Cc1cccc(O)c1)S(=O)(=O)c1ccc(-c2cccc(O)c2)cc1 96285192 KIOHYPYDGDIUEP-UHFFFAOYSA-N 369.442 3.586 0 1 FHAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(C)cnc(Cl)c2[nH]1 587065357 ONVVEVZOGASTRA-UHFFFAOYSA-N 366.204 3.973 0 1 FHAF CCOc1ccc(OCC)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587443989 XPWGAXCSDJOYKZ-IERDGZPVSA-N 354.402 3.981 0 1 FHAF COCCC[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353345 YSPRXXYCYAYVSN-TZIWHRDSSA-N 374.408 3.702 0 1 FHAF COCCCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587400590 RBXGJGAOCNONAZ-IBGZPJMESA-N 371.433 3.708 0 1 FHAF COc1ncc(F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587732596 NEOGSSQORAXDAY-GLEZIHRCSA-N 369.209 3.755 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(C)cc1C)[C@@H](C2)C3=O 587433974 YJNLPRGVHNGISI-AOMKIAJQSA-N 365.429 3.847 0 1 FHAF FC(F)(F)c1cnc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 587074989 CUCHKFFOKQUALC-UHFFFAOYSA-N 364.718 3.878 0 1 FHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc(Cl)cc1 587648524 ATMIDINBONTXNQ-UHFFFAOYSA-N 362.838 3.786 0 1 FHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Cl)nc4[nH]3)cc2N1 587125368 DQMIWIWCRMYGJB-IMTBSYHQSA-N 356.739 3.782 0 1 FHAF COc1ccc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587386341 IKLYJPVLZIISJG-LCCNJJIFSA-N 352.434 3.522 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn3cc(Br)nc13)O2 587373035 PDSSDFIWTBLLOK-CQSZACIVSA-N 372.222 3.694 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587434011 ZOBMQOUQTPCVRH-CGSMKXTHSA-N 373.449 3.649 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]cc1Br)CC2=O 587459850 ZEMBMFQUGFAIQM-CYBMUJFWSA-N 351.200 3.537 0 1 FHAF Cc1c(F)ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 587234426 MKBVNFIKSUJCBM-UHFFFAOYSA-N 361.417 3.874 0 1 FHAF O=C(CCc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(F)cc1 587163969 WLXVDINECSDQKM-UHFFFAOYSA-N 363.186 3.986 0 1 FHAF CC(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1C 587582549 PSOWVTFOSJOOOB-NQIIRXRSSA-N 364.401 3.952 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc4nc[nH]c4c3)n2)cc1 587924451 ZCESMBYXCKKTPA-UHFFFAOYSA-N 370.459 3.725 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(CC3CC3)CC2)N1 587766750 HLYPXULTOHVCLE-GFCCVEGCSA-N 367.306 3.824 0 1 FHAF C[C@@]1(c2cncc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569867 NAWLVVHWUWRQFD-XLIONFOSSA-N 351.333 3.803 0 1 FHAF COc1cc2ccccc2cc1[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963550432 LQKYVJKNGLKSLZ-GHTZIAJQSA-N 363.413 3.551 0 1 FHAF COc1cccc(CCN2CCN(c3ccccc3OC(C)C)CC2)c1 1772605849 JINGANVHFUGONE-UHFFFAOYSA-N 354.494 3.847 0 1 FHAF CCOC(=O)C1=C(c2cccc(F)c2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1CC 169721219 HGIDWFZGXBJNNB-JKSUJKDBSA-N 361.413 3.780 0 1 FHAF Oc1ccc(-c2ccc3c(-c4ccc(N5CCOCC5)cc4)n[nH]c3n2)cc1 1857549196 LMZFMBQLTZMRBO-UHFFFAOYSA-N 372.428 3.834 0 1 FHAF C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cccc(N2CCCCC2)c1 27561207 JMAGRPAGDDVBHR-MRXNPFEDSA-N 366.461 3.795 0 1 FHAF CNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1[nH]c1cc(OC)ccc12 113205136 AOAJCTYSMMJDDS-UHFFFAOYSA-N 361.401 3.760 0 1 FHAF O=C(O)C[C@@H]1CCN(C2CCCCC2)C[C@H]1Cc1nc2ccccc2[nH]1 2356419466 TWPNGPZIWWUXSA-JKSUJKDBSA-N 355.482 3.851 0 1 FHAF CC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@H]2CC[C@H]1C3 2356635314 WOHNELZOUBHDQW-TWDCHCNYSA-N 364.526 3.684 0 1 FHAF [O-][n+]1nc2c(-c3ccsc3)cnn2c2cc(-c3ccsc3)ccc21 71294919 FAYVGAIEVWZQNH-UHFFFAOYSA-N 350.428 3.973 0 1 FHAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OC)co2)cc1 82070789 IZYNXFNFHGLABB-CQSZACIVSA-N 374.437 3.592 0 1 FHAF COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OC 48998361 DSLKCOAGUPWVOT-UHFFFAOYSA-N 367.449 3.922 0 1 FHAF CCOc1ccccc1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 226039352 VJYIRLFLDJIKOP-ZVZYQTTQSA-N 370.424 3.692 0 1 FHAF CCCCNc1cc(C(=O)O)cc(S(C)(=O)=O)c1Oc1ccccc1 148314188 GHXPJMRSAKBOOI-UHFFFAOYSA-N 363.435 3.793 0 1 FHAF 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)CC[C@]12O 252347133 XZTUSOXSLKTKJQ-DNXMKWBUSA-N 374.521 3.604 0 1 FHAF C[C@@H]1CC[C@@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@H]2C1 253640069 USIJTWGGTVYMGF-QMMLZNLJSA-N 365.521 3.889 0 1 FHAF C/C=C1/CC[C@@H]2[C@H]3CC=C4[C@H](O)[C@@H](O)[C@@H](C)C[C@]4(C(=O)O)[C@@H]3CC[C@]12C 621430886 HYXXWAGSSHVTHD-IJLWUEKMSA-N 360.494 3.538 0 1 FHAF O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CCc2ccccc2C1 473107295 IMIKZLXVBIEBOV-YPAWHYETSA-N 355.453 3.683 0 1 FHAF Cc1nccn1CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587755087 ODNTUHGGICEXGG-DIFFPNOSSA-N 366.278 3.933 0 1 FHAF CCn1nc(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587762929 HEZOYLXPVGIJLC-FVMDXXJSSA-N 352.251 3.737 0 1 FHAF CC(C)OC(=O)C1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CC(F)(F)C1 587129989 BLSBOGSCVPCIGP-UHFFFAOYSA-N 364.179 3.883 0 1 FHAF C[C@@]1(c2ncc(Br)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587497819 MQKBUWKWHRJLQP-SFHVURJKSA-N 373.250 3.999 0 1 FHAF CCOC(=O)Cc1ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2c1 587176757 QRACPQPHJSEXNY-UHFFFAOYSA-N 364.380 3.605 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(Br)n1C)CC2=O 587459215 NHCYIQSRUUAPSD-AWEZNQCLSA-N 365.227 3.547 0 1 FHAF COc1cccnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587767307 AIYNRXZMJWYLAJ-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)cnc1F)O2 587387467 SARBEAMRQJEZKH-INIZCTEOSA-N 365.202 3.754 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)[C@H](O)c3ccc(OC)cc3)nc2c1 587935846 JNUWQRZJMYFIHI-QGHHPUGFSA-N 374.824 3.849 0 1 FHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(OCCN(C)C)ccc3[nH]2)n1 587080863 UBZHIFOPZYZAHS-GFCCVEGCSA-N 361.877 3.991 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1O 587573444 WPEIZFIVKKGANN-FXAWDEMLSA-N 352.317 3.940 0 1 FHAF CC[C@@H]1OC=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587357512 UDSHIOBIFXXZKY-CDXJDZJCSA-N 368.360 3.521 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(=N)[nH]c1-c1ccccc1)O2 587413887 QVNVAOKFQSWMRD-HXUWFJFHSA-N 365.458 3.994 0 1 FHAF C[C@@H]1C(=O)[C@]2(C[C@H]1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355011 PLMNVTKMZYQRFX-MGVJNCPVSA-N 354.377 3.874 0 1 FHAF CCOC(=O)C[C@@]1(C[C@@H]2CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536470 UGHDQACRPVRUGP-KSFYIVLOSA-N 372.461 3.792 0 1 FHAF Nc1c(Br)cccc1-n1c(O)cc(Cc2ccccc2)c1O 587936161 GHCAJQQMFKJNAN-UHFFFAOYSA-N 359.223 3.824 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)o2)N1 587757015 UAGSWGWEXWUHFJ-JDNHERCYSA-N 353.235 3.871 0 1 FHAF Brc1ccc([C@H](c2nc3cnccc3[nH]2)N2CCCC2)cc1 586985187 LCNPVMPRWLSINB-MRXNPFEDSA-N 357.255 3.906 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCN3CCCC[C@@H]32)[C@H]1c1ccc(F)cc1 587346064 KYQZNCFIPIDALI-URVUXULASA-N 367.420 3.887 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)([C@@H](C)Oc1ccccc1)O2 587385581 DDKYVSNXIAXESV-SEOQWQOGSA-N 366.461 3.824 0 1 FHAF C[C@@]1(CCn2cccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345229 YWPFEBLFWASRQX-CTNGQTDRSA-N 366.392 3.936 0 1 FHAF CCn1cc(Br)c(Cc2nc3cc(OC)c(Cl)cc3[nH]2)n1 586999913 FTAPAFNWSASUKD-UHFFFAOYSA-N 369.650 3.795 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCC[C@H](C2)N3C)N1 587773138 JIKASWSDNCOYFE-GNTLTTKYSA-N 367.306 3.964 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(C(=O)OCC)s1)CC2=O 587495091 NFJFGPPPDKHTJY-CQSZACIVSA-N 361.419 3.684 0 1 FHAF O=C1CC[C@H]2C[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601228 CIKKJCFEOQDVKC-NRLRZVTCSA-N 364.397 3.872 0 1 FHAF Cc1ccc2c3c1N(CC31CC1)[C@@]2(CSc1nnc(N)s1)C1CC1 963731803 PJJKHPKGSXECRL-SFHVURJKSA-N 356.520 3.692 0 1 FHAF Cc1cc2c(cc1O)[C@@]1(C[C@@H](C(C)C)c3ccccc31)N[C@H](C(=O)O)C2 963492379 QKMKGEHTWIDRGW-BPXKWBHBSA-N 351.446 3.686 0 1 FHAF COc1ccccc1N1CCN(C[C@@H]2CSC3(CCCCC3)O2)CC1 1772639974 WUVBTJSZUBJCFT-QGZVFWFLSA-N 362.539 3.610 0 1 FHAF CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12 13585100 JSHFCWULRGGKBE-UHFFFAOYSA-N 357.628 3.940 0 1 FHAF O=c1[nH]c(-c2cccc(C(F)(F)F)c2)nn1-c1cc(Cl)ccc1O 13587048 KWLAYFKMSIOYJS-UHFFFAOYSA-N 355.703 3.605 0 1 FHAF CN1C(N)=NC(=O)/C1=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 13678244 GYLRKTYBPJOZLC-KPKJPENVSA-N 369.730 3.746 0 1 FHAF CN(C)CCCN1C(=O)[C@H](Cc2ccccc2)Oc2ccc(Cl)cc21 169324432 CWKGXIZIUUXGHH-IBGZPJMESA-N 358.869 3.628 0 1 FHAF CS(=O)(=O)c1cccc(-c2ccc3nccc(-c4ccncc4)c3n2)c1 1857636970 VQZRFCFKMXUVHW-UHFFFAOYSA-N 361.426 3.762 0 1 FHAF O=C(C[C@H]1c2ccccc2-c2cncn21)NCc1ccc(F)c(Cl)c1 1857644362 NFHDKUVLSXRHAR-KRWDZBQOSA-N 355.800 3.952 0 1 FHAF O=C(Nc1ccccc1)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1 1857759504 OSNWMFBOJOHUOA-SAABIXHNSA-N 354.406 3.897 0 1 FHAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(F)cc3)C[C@H]1C=N2 3989591 YSHMJJPNCANHNU-HNNXBMFYSA-N 352.365 3.814 0 1 FHAF CC1CCN(c2nc3ccc(C(=O)NCc4cccnc4)cc3s2)CC1 6802352 FCPLWRDCLUDYSE-UHFFFAOYSA-N 366.490 3.858 0 1 FHAF COc1ccccc1CN1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccnc2)cc1 100107142 USAGOPRSHTYZNS-FIDNPTQWSA-N 371.484 3.697 0 1 FHAF C[C@@H]1CC[C@@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@@H]2C1 28527057 USIJTWGGTVYMGF-UIFIKXQLSA-N 365.521 3.889 0 1 FHAF O=C(c1cnn2c1NC(=C1CC1)C=C2C(F)F)N1CCc2ccccc2C1 103114271 IABRXIIRBWPXRT-UHFFFAOYSA-N 368.387 3.661 0 1 FHAF O=C(O)C[C@@H]1C[C@H]1c1cccc(OCCc2ccc3c(n2)NCCC3)c1 28648219 OCTQRAGMJGKHHA-LPHOPBHVSA-N 352.434 3.639 0 1 FHAF CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C2 62205422 OUKMKZRIJHPMFI-MWJQBAMBSA-N 352.837 3.749 0 1 FHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cccc2cc[nH]c12 117585231 CBFQTYDOXQNPJP-UHFFFAOYSA-N 364.449 3.679 0 1 FHAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(-c2ccccn2)s1 36176613 PWQBGDQAHITQKL-IPHXSNPTSA-N 364.470 3.858 0 1 FHAF CCC(=O)N1c2ccccc2OC[C@H]2CN(CCc3ccccc3)CC[C@H]21 36190570 XJZCYMONKQXDLC-WOJBJXKFSA-N 364.489 3.755 0 1 FHAF CC[C@H](C)N(C[C@H](O)CNc1cc(OC)cc2cccnc12)[C@@H](C)CC 40933583 CMUQIECDLISBIR-XYJFISCASA-N 359.514 3.915 0 1 FHAF CCC[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 40900748 CAMLIKVIEVGUST-ZIAGYGMSSA-N 373.927 3.625 0 1 FHAF Cc1cccnc1-c1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C 223425421 YXLMZHOMTDRUPU-UHFFFAOYSA-N 369.428 3.590 0 1 FHAF c1cc(-c2cc(N3CCNCC3)c3c4c(sc3n2)CCCC4)ccn1 1911586731 CAXRWBVAXDTUMZ-UHFFFAOYSA-N 350.491 3.647 0 1 FHAF Nc1nc2c(-c3cc(-c4ccccc4)c(Br)[nH]3)nccc2[nH]1 45262057 RAXLQYNMWRTECE-UHFFFAOYSA-N 354.211 3.965 0 1 FHAF COc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)OC3)cc1O 45388829 ZSKAATHUSXAOME-UHFFFAOYSA-N 350.326 3.620 0 1 FHAF CC(C)N1CCCC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O 199718811 DHODXISEYYYYRT-HXUWFJFHSA-N 350.462 3.873 0 3 FHAF CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2c(F)ccc(F)c2c1=O 96906850 YIUCCVBAXWKCMU-UHFFFAOYSA-N 373.355 3.513 0 1 FHAF CN(C)CCN[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 263591527 JXPRESUBWIPPEI-OGNUZGJXSA-N 360.586 3.830 0 3 FHAF COc1ccc(-c2csc(NC(=O)CN3C=CC(=CN=O)C=C3)n2)cc1 473089535 RLVBACFUZVGWFD-UHFFFAOYSA-N 368.418 3.751 0 1 FHAF COC(=O)Nc1nc2cc([S@](=O)c3c(C)[nH]c4ccccc34)ccc2[nH]1 299822169 HKBDQAVUOCHXBT-SANMLTNESA-N 368.418 3.698 0 1 FHAF COc1cccc(CN2CCN(c3ccc(-c4cn[nH]c4)c(F)c3)C2=O)c1 653778442 KIUGPZZWIHGZFY-UHFFFAOYSA-N 366.396 3.667 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccn(CC2CC2)n1 587580771 JFYQOVSFLQWHOZ-NQIIRXRSSA-N 362.385 3.702 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H](c4ncccc4O)C1)[C@@H](C2)C3=O 587436014 LUNPJZFAMZLUKG-RKFVTTHHSA-N 351.402 3.640 0 1 FHAF COc1ccnc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587769495 GKLUUNYVDCJLCG-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(C=O)c1)(C1CCOCC1)O2 587413553 RVWHYHGMKDDDJR-JOCHJYFZSA-N 365.429 3.677 0 1 FHAF COCCC[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353338 YSPRXXYCYAYVSN-FPOVZHCZSA-N 374.408 3.702 0 1 FHAF FC(F)(F)c1ncc2nc(Cc3csc(-c4ccco4)n3)nc-2[nH]1 587016671 AZVYGZNRMGJFQY-UHFFFAOYSA-N 351.313 3.631 0 1 FHAF COC(=O)c1cc2[nH]c([C@H]3C[C@]3(C)c3ccccc3OC)nc2cc1OC 587930996 QOPDATZVGCWOJD-SPLOXXLWSA-N 366.417 3.812 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 587232080 SNZDGOJIMMOXQR-OLZOCXBDSA-N 369.387 3.618 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC)c(F)cc2[nH]1 586918394 XYSATYVWPXYYSN-RBZFPXEDSA-N 354.381 3.927 0 1 FHAF Cc1ccc(-c2nnc(SCc3nc4cncc(C)c4[nH]3)n2C)cc1 586964883 BCOICPPUFBBQKP-UHFFFAOYSA-N 350.451 3.663 0 1 FHAF COc1cc2c3c(c1)O[C@@H](C(C)(C)CN(C)Cc1ccccc1)[C@@H](C2)C3=O 587430116 RHTKWEFZCZTFFN-PGRDOPGGSA-N 365.473 3.969 0 1 FHAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587805510 GGEZLFXEOZZBNL-XLFHBGCDSA-N 366.230 3.926 0 1 FHAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587113486 KWHXNTPGDKGQQY-LLVKDONJSA-N 372.354 3.904 0 1 FHAF Cc1[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1CC(=O)O 587528025 WIEMKTBEPSMDEW-GOSISDBHSA-N 353.418 3.844 0 1 FHAF Cc1c(F)ccc2c1[C@@](CC(=O)c1nccs1)(C(F)(F)F)NCC2 962144622 LMDGANNHIZUBFX-HNNXBMFYSA-N 358.360 3.767 0 1 FHAF Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)c2ccccc2N(C)C)C1 12448983 MMHPAUQYRGGMME-QHCPKHFHSA-N 366.505 3.518 0 3 FHAF O=S1(=O)CCOC[C@H](CC2CCCCC2)N1Cc1ccc(Cl)cc1 15934995 XQCPPZSXAFMFPX-SFHVURJKSA-N 371.930 3.841 0 3 FHAF C[C@H]1Oc2c(NC(=O)N[C@H]3CC[C@@H](c4ccccc4)C3)cccc2NC1=O 169704873 TWCGLMWGYCDORZ-BMFZPTHFSA-N 365.433 3.864 0 1 FHAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773467 GBIPSSHFVFWLCK-MRXNPFEDSA-N 354.381 3.648 0 1 FHAF COc1cc(C=CC(=O)O)ccc1Oc1ccc(C=CC(=O)O)cc1OC 2356481939 BRYJSPGJWTUCLS-UHFFFAOYSA-N 370.357 3.692 0 1 FHAF Cc1ccc2c(c1)c1c3n2CC(C2=C(O)OC(C)(C)OC2=O)=N[C@@H]3CCC1 6498837 JCPPVIZRGBOPFH-CQSZACIVSA-N 366.417 3.861 0 1 FHAF Cc1ccc(Cn2c3ccccc3c3nnc(NC[C@H]4CCCO4)nc32)cc1 6781700 BIXSSSAWJJPSIL-QGZVFWFLSA-N 373.460 3.927 0 1 FHAF CC(=O)c1ccc([C@@H]2C=C[C@H](Oc3ccc(F)cc3C)[C@@H](CO)O2)cc1 7992631 ORMRPUROBPYGCF-PCCBWWKXSA-N 356.393 3.773 0 1 FHAF O=C(NCCNCc1ccc2ccccc2c1)c1ccc2ncsc2c1 28967583 NVXOZJDLTQKPSX-UHFFFAOYSA-N 361.470 3.969 0 1 FHAF Brc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)cc1 28653623 DKKUYUYFZQFXER-QZTJIDSGSA-N 368.315 3.652 0 1 FHAF COc1ccc([C@]23CCC(=O)N2C[C@H](COc2ccc(Cl)cc2)O3)cc1 27523095 IVWCPBRJGXYFNI-UYAOXDASSA-N 373.836 3.602 0 1 FHAF CCCOc1ccc([C@@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1F 116829037 YNPGVERNVJCADR-KRWDZBQOSA-N 354.385 3.762 0 1 FHAF CCC(=O)N1CCN(C2=Nc3cc(F)ccc3Nc3cscc32)CC1 27995564 NMQLELPBUYIVOY-UHFFFAOYSA-N 358.442 3.577 0 1 FHAF CCC(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 22460259 ZOMSSSRBLWJELL-UWJYYQICSA-N 371.550 3.522 0 3 FHAF CCCC[C@H]1CC2(C[C@@H](CCCC)N1)C(=O)NC(=O)N2c1ccccc1 28971263 VWIMYKRRLMTELI-QRTHJKPMSA-N 357.498 3.983 0 1 FHAF COc1oc(CC=C(C)CC[C@H](OC)C(C)=C[C@H](C)O)c(C)c(=O)c1C 2356831812 JRYSFTQQWLHNHH-YJBOKZPZSA-N 364.482 3.876 0 1 FHAF CC(C)(C)OC(=O)N1O[C@H]2C[C@@H]1[C@@H]1[C@@H]2N=NN1C12CC3CC(CC(C3)C1)C2 61943200 SGSWOUZDWXBBJQ-VUEQUFGUSA-N 374.485 3.698 0 3 FHAF NC(=O)O[C@H]1CCN(CCCC(=O)c2ccc(F)cc2)[C@@H]2CCCC[C@@H]12 31297679 RVPQELWEPXXXPC-LMMKCTJWSA-N 362.445 3.517 0 1 FHAF in-man O=C(Nc1cnc2ccccc2c1)c1ccc2cc3n(c2c1)CCCNC3=O 73239888 MVRDTJDXYOJXNF-UHFFFAOYSA-N 370.412 3.575 0 1 FHAF COc1ccc(Nc2cc3c(cn2)ncn3Cc2ccco2)c(OC)c1 74388389 MESZYQXWJJLAAG-UHFFFAOYSA-N 350.378 3.833 0 3 FHAF Cc1ccc([C@@H]2NC(=S)N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1 49116214 JEAXTUVEJOXNAU-OALUTQOASA-N 350.487 3.703 0 1 FHAF Cc1ccnc(-n2cc(CN3CCC4(CC3)OCc3ccccc34)c(C)n2)c1 40896416 AINIYOCWHWRKCA-UHFFFAOYSA-N 374.488 3.906 0 1 FHAF O=C1OC[C@H](Cc2ccccc2)N1c1ccnc(NC2CCCCC2)n1 142103413 YPXUJFJLDBQEME-KRWDZBQOSA-N 352.438 3.789 0 1 FHAF CC(C)CO[C@H]1C[C@@H]2CN(c3ccc(OCC(F)(F)F)cc3)C(=O)N2C1 96168556 GGDBCZKYTJATAJ-ZBFHGGJFSA-N 372.387 3.683 0 1 FHAF Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C)C[C@@H]34)cc2)cc1 95874474 RNZDERBTNLUMER-VABKMULXSA-N 350.506 3.516 0 1 FHAF O=C(Cc1cc(Cl)ccc1C(F)(F)F)N[C@@H]1COc2ncccc21 146501426 ULHWEWNRGLJCHH-CYBMUJFWSA-N 356.731 3.546 0 1 FHAF COc1ccccc1CNc1cccn2nc(Nc3ccc(C)nc3)nc12 96169903 LFVNMDRPCRBHPS-UHFFFAOYSA-N 360.421 3.797 0 1 FHAF COc1ccc(COc2ccc(CNCc3ccncc3)cc2OC)cc1 299834574 JYCFOTIZNNCEEY-UHFFFAOYSA-N 364.445 3.968 0 1 FHAF O=C1c2ccccc2C(=O)N1CCCCCCNCc1ccccc1F 299861599 LQWYGHACJQGBFQ-UHFFFAOYSA-N 354.425 3.772 0 1 FHAF Cc1nc(-c2c(N[C@H]3CC[C@@H](N)CC3)ccnc2O)[nH]c1-c1ccccc1 653726358 BVLHEAQPRVYGOV-IYBDPMFKSA-N 363.465 3.835 0 1 FHAF CCC[C@]1(C2CCNCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595408 NLAUAUZEKKMZEV-SIKLNZKXSA-N 367.445 3.892 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ncccc1C2 587590359 ZLQSZUFTQUWVBX-DENIHFKCSA-N 359.381 3.677 0 1 FHAF O=Cc1ccc(OCc2occc2-c2nc3cccc(C(=O)O)c3[nH]2)cc1 586900088 CELPRCBCZJWXHL-UHFFFAOYSA-N 362.341 3.913 0 1 FHAF CC(C)[C@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197281 CKFHTUOSKVPUKR-CQSZACIVSA-N 359.430 3.709 0 1 FHAF N[C@H](Cc1cscn1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587029578 QQDMCNPYJXLRLV-OAHLLOKOSA-N 350.447 3.841 0 1 FHAF O=C(NC1CCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661300 WMJPDKCVUSEBKY-UHFFFAOYSA-N 351.381 3.703 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnn(Cc4ccc(F)cc4)c1)[C@@H](C2)C3=O 587427537 IKHMCBRDHRQGJL-UWJYYQICSA-N 364.376 3.568 0 1 FHAF CN(C)c1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569093 FAXWLKSDZNACNJ-YLJYHZDGSA-N 362.385 3.556 0 1 FHAF CC[C@@]1(Cc2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587401297 VWAPPQGCEVPJON-OAQYLSRUSA-N 355.434 3.951 0 1 FHAF Cc1cc(F)ncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567972 GIHKULVFLXJBTE-XLIONFOSSA-N 351.333 3.938 0 1 FHAF CS(=O)(=O)Nc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532073 KROYAZUDZITLCT-LJQANCHMSA-N 371.458 3.643 0 1 FHAF CC(C)[C@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197993 QVANVUHIGDZKCS-MRXNPFEDSA-N 374.485 3.829 0 1 FHAF COC[C@]1(CC(=O)C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587789698 DHHRLWSHRFTRDM-DIFFPNOSSA-N 372.278 3.579 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1COc3ccccc3O1)CC2=O 587482289 DPSLKJNVJDNLPQ-FPOVZHCZSA-N 354.402 3.909 0 1 FHAF c1ccc(C[C@@H](c2ccccc2)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587955179 HATOXZCTMYTGAF-IBGZPJMESA-N 366.428 3.913 0 1 FHAF COc1cc(OC)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)=O 587400244 PPRAWFHJXVLYEM-NRFANRHFSA-N 369.417 3.678 0 1 FHAF O=C(O)c1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587611107 FJVKEJFKQWQHLG-YJBOKZPZSA-N 368.366 3.855 0 1 FHAF O=C1C[C@H](Cc2nc3ccccc3[nH]2)c2c(Br)cccc2O1 587004214 RLEJPYCGSBYSNP-JTQLQIEISA-N 357.207 3.961 0 1 FHAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N1CCCc3cccc2c31 587527769 UPHHQLHBHMOXBD-QHCPKHFHSA-N 359.425 3.719 0 1 FHAF COC(=O)c1ccc([C@H]2NCCc3cc4cccc(OC)c4nc32)c(C)c1 963062200 XDDMWRPLBYJPJS-OAQYLSRUSA-N 362.429 3.574 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1ccc3[nH]nc(OC)c3c1)N(C)[C@H](C)C2 962617859 CHHAVZKJTPCLIP-ODXCJYRJSA-N 367.449 3.555 0 1 FHAF COc1ccc2c(c1)[C@@](C)(c1cc(O)c(OC)c(OC)c1)N(C(C)C)CC2 962085894 BVEVYHGOICXYIJ-JOCHJYFZSA-N 371.477 3.948 0 1 FHAF Cc1ccc2c(n1)NCC[C@@]21c2ccsc2CCN1Cc1cccn1C 962397791 LYMBOOPWPPIVSF-OAQYLSRUSA-N 364.518 3.908 0 1 FHAF Cc1[nH]nc2ccc(C(=O)N3CCN(C)C[C@@H]3c3ccc(Cl)cc3)cc12 1772642413 QLSTWYIPABBKKG-LJQANCHMSA-N 368.868 3.654 0 1 FHAF CC(C)Oc1ccc2c(c1)C=C(C(=O)O)[C@@H](c1ccc3c(c1)OCO3)O2 13473430 GRIGMBRNAIDEAD-LJQANCHMSA-N 354.358 3.804 0 1 FHAF CCCCP(=O)(CCCC)OCN1C(=O)c2ccccc2S1(=O)=O 13602813 FFIMSWCZXOYUDS-UHFFFAOYSA-N 373.411 3.684 0 1 FHAF CC1(C)C=Cc2c(ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)O1 14690579 NQLFKRRSBSAFQZ-INIZCTEOSA-N 354.358 3.694 0 1 FHAF biogenic,in-vitro C[C@@H]1Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2C1(C)C 14825098 JTPIWPQEKWCNEL-VIFPVBQESA-N 354.358 3.635 0 1 FHAF biogenic,in-vitro Cc1ccc([C@H]2c3c([nH]c(=S)[nH]c3=O)N=C3CC(C)(C)CC(=O)[C@H]32)cc1 169686890 QPHLIVHZAGSWHB-CABCVRRESA-N 367.474 3.964 0 1 FHAF O=C(O)[C@H]1CCCN(CCO/N=C/c2ccccc2-c2ccc(F)cc2)C1 147047350 RMGSDZUVGUENSJ-TTXZLZEXSA-N 370.424 3.640 0 1 FHAF COc1ccc(-n2ncc([C@H](C)NCc3ccc4nonc4c3)c2C)cc1 55254653 GHUBDJHBDPJXES-ZDUSSCGKSA-N 363.421 3.576 0 1 FHAF CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c(C(=O)O)[nH]c2c1 28377056 TVMALVXMWNEMNL-UHFFFAOYSA-N 365.407 3.560 0 1 FHAF CSCCCN1C(=O)c2ccccc2[C@@H](CC(=O)c2ccccc2)C1=O 29338246 IUOREPYUPVFRTJ-GOSISDBHSA-N 367.470 3.779 0 1 FHAF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@@H]3CC[C@@H]12 34801427 YJVVSONFMRLWTH-BWMNSYIGSA-N 359.510 3.926 0 1 FHAF O=S1(=O)NC(CCc2ccccc2)=Cc2ccc(Br)cc21 1911580166 MVFQKZGKOAFSFY-UHFFFAOYSA-N 364.264 3.715 0 1 FHAF CC1(C)C(=O)N([C@H]2CCc3ccccc32)c2nc(Nc3cccnc3)ncc21 139608735 APKZTNIHDKUHTG-SFHVURJKSA-N 371.444 3.927 0 1 FHAF Cc1cc(=O)oc2cc(I)c3c(c12)OC(C)(C)C=C3 43119286 BEJHJGZNIXUIPC-UHFFFAOYSA-N 368.170 3.890 0 1 FHAF CN(C(=O)Cc1ccccc1)c1cccc(Nc2ccccc2C(N)=O)c1 95574833 VAUXJPGMNUGLAP-UHFFFAOYSA-N 359.429 3.735 0 1 FHAF NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96174149 FLBLMFADJFKKIP-UHFFFAOYSA-N 354.417 3.555 0 1 FHAF O=C(Nc1ccc(Cl)cn1)Nc1ccc([C@@H]2CNCCO2)cc1Cl 149841903 JKCGKZSSBSUSOO-AWEZNQCLSA-N 367.236 3.693 0 1 FHAF C[C@@]1(C(=O)NCc2ccc(Cl)cc2Cl)CCCC(=O)N1C1CCC1 95565323 NFSCENKKXFEYBV-SFHVURJKSA-N 369.292 3.933 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccncc4)ncc23)ccn1 261176955 VBGBUIWHCYJUEC-CYBMUJFWSA-N 373.420 3.606 0 1 FHAF Cc1cccc2c(C(=O)O)cc(C(=O)c3ccc(Br)cc3)n12 299820888 HODBEEJOHKGJGI-UHFFFAOYSA-N 358.191 3.939 0 1 FHAF CC(=O)C[C@]1(c2ccco2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587828983 PLJWKLFXICDDIF-BTDLBPIBSA-N 366.230 3.938 0 1 FHAF N[C@@H](Cc1nc2cc(Cl)ncc2[nH]1)c1ccc(Br)cc1F 587143039 UAJDOUFUAVPBLB-JTQLQIEISA-N 369.625 3.755 0 1 FHAF Cc1c(F)ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 587193098 BEZXSTZSCWQDEJ-UHFFFAOYSA-N 355.413 3.530 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(CNC(C)=O)s1)CC2=O 587492046 AJABAQABRKWNOD-HXUWFJFHSA-N 373.474 3.923 0 1 FHAF COc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132078 ISJATKWJCKFRCN-NSHDSACASA-N 353.369 3.541 0 1 FHAF CO[C@@H](C)COC1CCC(c2nc3cc(Br)cnc3[nH]2)CC1 587952266 NUMUUTHAJYHFPD-ZBOXLXRLSA-N 368.275 3.798 0 1 FHAF CN(C)c1ncccc1-c1nc2ncc(Br)c(Cl)c2[nH]1 587195593 JPRJIURCBFOQMY-UHFFFAOYSA-N 352.623 3.502 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]2OC1CCC1 587601548 SXQSZVVJPDFAKH-LQWHRVPQSA-N 352.386 3.824 0 1 FHAF COc1cc(C)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587523201 HGAXEZDUWNAIFH-QFIPXVFZSA-N 363.413 3.695 0 1 FHAF COc1cccc(-c2ncc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)c1 587434862 ADCKFUVKIUIBIC-DYESRHJHSA-N 374.396 3.650 0 1 FHAF COC(=O)c1cc(Cl)ccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587378716 PDWPFZZGJWPXHZ-LJQANCHMSA-N 359.809 3.898 0 1 FHAF CCS(=O)(=O)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 587780528 BZMLMHAEIKTQMN-TWGQIWQCSA-N 356.447 3.587 0 1 FHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)ncc4[nH]3)cc2N1 587125484 FXJPIFROSWJFIA-QUBYGPBYSA-N 356.739 3.782 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)CC13CC3)O2 587400016 NIOFMYWUXFNPTB-OAQYLSRUSA-N 372.465 3.702 0 1 FHAF O=C(CCCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(Cl)cn1 587081497 ASVXPJJLWLFJTO-UHFFFAOYSA-N 369.734 3.577 0 1 FHAF COCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587618545 UPBDYNVJMAVVTM-XLIONFOSSA-N 352.342 3.835 0 1 FHAF CC(C)([C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N1CCCCC1 587591187 DWOLMCUEVCWDPA-GHTZIAJQSA-N 367.445 3.987 0 1 FHAF COC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1OC 587152288 LEXAPLAHHPSFCR-VXGBXAGGSA-N 358.344 3.907 0 1 FHAF N[C@]1(c2nc3cc(Br)c(F)cc3[nH]2)C[C@@H]1c1ccccc1F 587155200 IMMLQBZLWDJSDF-JDNHERCYSA-N 364.193 3.945 0 1 FHAF COC(=O)c1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1OC 587149959 JEFWTGQOIWVTRF-VIFPVBQESA-N 362.332 3.776 0 1 FHAF O=C(O)[C@@H]1Cc2cc(F)ccc2C2(CCN(c3ccccc3Cl)CC2)N1 962914248 SFARGHAGXYRTAZ-KRWDZBQOSA-N 374.843 3.574 0 1 FHAF Cc1cc(C(=O)NCCN(CC(C)C)CC(C)C)n(-c2ccccc2)n1 5058696 GLEJFJBTXGZVAT-UHFFFAOYSA-N 356.514 3.525 0 1 FHAF CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 13677493 GPNABXAHBDYHFE-WBVHZDCISA-N 354.947 3.633 0 1 FHAF COc1ccc([C@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2C)cc1OC 15217743 JRYJEMVPVZEOPW-IJVJVEAYSA-N 356.418 3.955 0 1 FHAF endogenous,in-man CCn1cncc1Cn1ccc(-c2cccc(-c3ncccc3OC)c2)n1 19956468 QHJNUYSLOCPANC-UHFFFAOYSA-N 359.433 3.885 0 1 FHAF CCN(CC)P(=O)(OCC[C@H]1NC(C)(C)C[C@@H](C)O1)N(CC)CC 26825294 RFOMUBCBDXWDIM-CVEARBPZSA-N 363.483 3.688 0 1 FHAF O=C1N=C(O)[C@@H](C2=C[n+]3cccc4cccc2c43)[C@@H]1c1c[nH]c2ccccc12 66157033 DVSVKPFSHABFPS-PMACEKPBSA-O 366.400 3.817 0 1 FHAF in-vitro O=Cc1ccc([C@](O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1 26847899 UKHJVXAFCISHCL-HSZRJFAPSA-N 369.424 3.694 0 1 FHAF O=C(Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12)C1CCCCC1 71340507 QUZMUUYXVGRROL-UHFFFAOYSA-N 373.363 3.942 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCCC4=CCCC4)ncc23)ccn1 219745956 OWEFBZRFDUPWNA-UHFFFAOYSA-N 362.437 3.950 0 1 FHAF O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(F)c(F)c3)nc12 314118844 BAOZYRRVMRHGHJ-UHFFFAOYSA-N 353.122 3.969 0 1 FHAF COc1c(Cl)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@@H]1CCO[C@H]1O4 13374550 JLTNUBHYPWOYAB-VIIUKITBSA-N 360.749 3.536 0 1 FHAF biogenic CO[C@@H]1C(=O)c2c(cc3c(c2O)C=CC(C)(C)O3)O[C@@H]1c1ccccc1O 13380052 SHVNMDGYHQHAIC-WOJBJXKFSA-N 368.385 3.613 0 1 FHAF biogenic CC(=O)N1CCC[C@@]1(Cc1ccc(C)cc1)C(=O)OCc1ccccc1 49087657 OAWCHBXEFXVIEN-JOCHJYFZSA-N 351.446 3.662 0 1 FHAF Cc1cn(CCCn2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cn1 138342042 JSZNAMSCKDGNDJ-UHFFFAOYSA-N 360.508 3.595 0 1 FHAF CN(CCO)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1 1911583799 ZSYAODJTOSWJMK-UHFFFAOYSA-N 373.254 3.564 0 1 FHAF O=C(N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1cccc(F)c1 199358128 YEFCTKMIFXAVAT-SFHVURJKSA-N 374.843 3.790 0 3 FHAF C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cccnc2)c1 40863905 JSUUMDFUENSQSK-LBPRGKRZSA-N 353.813 3.950 0 1 FHAF O=C(c1nc2ccccc2[nH]1)N1CC(c2cccnc2-c2ccccc2)C1 140159418 UGGBOTIKGAFYDS-UHFFFAOYSA-N 354.413 3.865 0 1 FHAF C/C=C\c1ccc(O[C@@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 238786417 LBYGDOQPEKTTHN-ZYNMUTKFSA-N 374.433 3.952 0 1 FHAF 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)CC[C@@]12O 255282709 XZTUSOXSLKTKJQ-ZEOOEFBLSA-N 374.521 3.604 0 1 FHAF CC(C)(C)OC(=O)n1cc(-c2ccc(NCc3ccc[nH]3)cc2)[nH]c1=N 473113547 JGOZTIAMHLGUHZ-UHFFFAOYSA-N 353.426 3.686 0 1 FHAF CN(C)CCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1=O 299865972 UYXHLBBGBLSFGV-FMIVXFBMSA-N 353.853 3.782 0 1 FHAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587154612 FZDCFCAOBCWOPR-LJQANCHMSA-N 368.456 3.984 0 1 FHAF CN(C)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587573115 RPOZAXRUQSGZQH-WIYYLYMNSA-N 362.385 3.556 0 1 FHAF COc1cc(OC)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc2c1 587109392 OGPLAATZDMEIRX-UHFFFAOYSA-N 366.295 3.964 0 1 FHAF COc1ccc(Cc2nc3ccc(Br)c(O)c3[nH]2)c(F)c1 587149990 XQEQBSXUTBWTHQ-UHFFFAOYSA-N 351.175 3.770 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1nc(-c3cnn(C)c3)cs1)CC2=O 587493766 GPNZMDOWTZOUEM-KRWDZBQOSA-N 369.446 3.908 0 1 FHAF Fc1cnc(Cl)c2nc(-c3cccn4c(Br)cnc34)[nH]c12 587006251 BRBZRAJWVPRGFR-UHFFFAOYSA-N 366.581 3.828 0 1 FHAF O=C1C[C@@H](c2nc3cc(F)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587147808 BLSGEBNVQAASFB-SNVBAGLBSA-N 363.314 3.635 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CCO[C@H]1C21CCC1 587839430 SDUQCZQJOIHHCH-QRNKATFGSA-N 366.274 3.907 0 1 FHAF COC(=O)C(C)(C)C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587808500 OFFQYWJLGFAKJO-SKDRFNHKSA-N 358.251 3.753 0 1 FHAF Oc1nc(S)nc2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 587048042 PIMZMXOKZZFGDT-PHDIDXHHSA-N 353.234 3.925 0 1 FHAF COc1ccnc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587768906 DQCOWOQEICFGJS-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF CCOC(=O)Cc1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587035439 QEWNZRXWAAHLMA-MRXNPFEDSA-N 356.447 3.587 0 1 FHAF Cc1nn(C)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587753219 AIXSJAKIITZLJN-PWJLMRLQSA-N 352.251 3.562 0 1 FHAF O=S(=O)(/C=C\c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1 586924145 JEXYPCQZNPOTAC-SREVYHEPSA-N 354.218 3.709 0 1 FHAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(Br)ncc2[nH]1 587059821 YNXISSOVVWUHCF-JTQLQIEISA-N 351.635 3.616 0 1 FHAF COC(=O)COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524551 SALZXXFRWUFVPT-FQEVSTJZSA-N 366.413 3.824 0 1 FHAF CC(=O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587007787 RPFYQLAGKHPRTA-UHFFFAOYSA-N 355.195 3.843 0 1 FHAF O=C(O)CCN(CCc1nc2ccc3ncccc3c2[nH]1)Cc1ccccc1 587193694 ONILREPCHZFAKN-UHFFFAOYSA-N 374.444 3.631 0 1 FHAF C[C@@H](O)c1cc(C(=O)N[C@H](C)c2c(F)cccc2F)ccc1-c1cn[nH]c1 1772617487 YVTWDJQRSGSDSG-VXGBXAGGSA-N 371.387 3.899 0 1 FHAF CCN(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(O)c(OC)c2)c1 1772636007 AYXMCSXGFIPAAM-PKNBQFBNSA-N 369.421 3.536 0 1 FHAF Cc1oc(-c2cccs2)nc1CCOc1ccc(CN(O)C(N)=O)cc1 13603989 RYQHYOVBQVLHSG-UHFFFAOYSA-N 373.434 3.603 0 1 FHAF Cc1ccc(SC[C@@H](Cc2ccccc2)N2CCN(C)CCC2=O)cc1 13830310 HPCVDNKMWCLBJS-HXUWFJFHSA-N 368.546 3.863 0 1 FHAF CC(C)C(=O)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 169315431 MFLVMVFQNDYTSR-GOSISDBHSA-N 356.809 3.655 0 1 FHAF CCN(C(=O)c1ccc2c(c1)c1c(c(=O)n2CC)CCCCC1)C1CC1 169328912 QZKKRSMYRIADDB-UHFFFAOYSA-N 352.478 3.915 0 1 FHAF C[C@H]1C/C=C\[C@H]2OC(C)(C)O[C@H]2CC/C=C/c2cc(O)cc(O)c2C(=O)O1 169727607 RATBTQWBKSYHAA-XMOXFDLWSA-N 374.433 3.917 0 1 FHAF COc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 201486675 GOCTVTCZTRAIIQ-CYBMUJFWSA-N 369.446 3.827 0 3 FHAF O=c1c2cn[nH]c2c2ccc(Oc3cccnc3)cc2n1CC(F)(F)F 205029217 INCAHAVUIVEYSH-UHFFFAOYSA-N 360.295 3.627 0 1 FHAF O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)cc3)cnn12 106961181 ZUXQTFCKGOGMMN-UHFFFAOYSA-N 366.764 3.918 0 1 FHAF CS[C@@](O)(CNC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 2002843 PJYCVBMPEOJLKW-FQEVSTJZSA-N 365.458 3.587 0 1 FHAF in-vitro O=C(CCn1c(=S)oc2ccccc21)N1CCN(c2ccccc2)CC1 2940164 IYGDKRUFUZCMAQ-UHFFFAOYSA-N 367.474 3.703 0 1 FHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccccc1Cl 117581981 KFQFIJDJNKIAEE-UHFFFAOYSA-N 359.857 3.851 0 1 FHAF CC=C(C)[C@@H]1O[C@@H]2C(CO)=C[C@](C)(C=CC(=O)O)[C@@H]3C(C)=C[C@@]1(C)[C@]23C 2356481712 ZEQFTKODFDOLED-ZEOIANDVSA-N 358.478 3.888 0 1 FHAF CC=CC(=O)N(CCCC)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 2356835598 KTGVFPUDGGUDCN-HXUWFJFHSA-N 357.498 3.776 0 1 FHAF COC(=O)C[C@H](C)c1c2c(c(O)c3c1O[C@@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 3640034 XTKUXKSLSNDPOT-TUAOUCFPSA-N 374.433 3.843 0 1 FHAF biogenic COc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccc(F)cc3)C2)cc1 73295092 CVXCGOOTIVLTGK-QGZVFWFLSA-N 369.421 3.615 0 1 FHAF CC1(C)NC(C)(C)C(c2nc3c(C(N)=O)cccc3[nH]2)=C1c1ccccc1 40395497 MHHZAEHHILULSB-UHFFFAOYSA-N 360.461 3.733 0 1 FHAF COc1ccc(C)cc1NC(=O)OC1C[C@@H]2CCC[C@H](C1)N2CCF 40934788 RITGYSHLRWARDN-XYPWUTKMSA-N 350.434 3.907 0 1 FHAF O=C(c1ccsc1)c1nc(NCc2cccnc2)nc2ccsc12 49015707 LLJXSKZJJRYROS-UHFFFAOYSA-N 352.444 3.991 0 1 FHAF COc1ccccc1CN1CCO[C@@]2(C1)CC(C)(C)Oc1ccccc12 40394087 NHTQUAHBSOZRFE-JOCHJYFZSA-N 353.462 3.984 0 1 FHAF COc1ccc(CC(C)(C)NC[C@H](O)COc2ccccc2Cl)cc1 45497473 WEWRQVNILIMKLK-INIZCTEOSA-N 363.885 3.699 0 1 FHAF CCc1c(O)c(=O)ccn1CCCNc1ccnc2cc(Cl)ccc12 96917813 INUFIOHMHABZLF-UHFFFAOYSA-N 357.841 3.820 0 1 FHAF Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCC/C=C/c2cccc(F)c2)c1 95921095 GPCIKCOFIVHWEN-KAMCARKFSA-N 369.484 3.752 0 1 FHAF in-vitro CC(C)(C)[C@@H]1C=C(C(=O)N2CCCCCCC2)O[C@H](OCCCCO)C1 95783823 GBQFAJGSKDGVSJ-MJGOQNOKSA-N 367.530 3.861 0 1 FHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3nc(Cl)c[nH]c-3n2)c1 587240655 NJPVJECAPYELED-UHFFFAOYSA-N 361.789 3.678 0 1 FHAF COC(=O)c1cccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120217 CTAPTZGFFYYDBC-UHFFFAOYSA-N 360.295 3.912 0 1 FHAF CC[C@@]1(c2ccc(C(=O)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445102 WSNAWIRGLTYVEU-IERDGZPVSA-N 352.386 3.535 0 1 FHAF COC(=O)CCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587811949 YAQNQCSBHGOCJT-ZUZCIYMTSA-N 358.251 3.897 0 1 FHAF C=Cc1c(CNC(=O)OCC)[nH]c2c1c(Br)cc1n[nH]cc12 587623378 RLVAHCRIOJJNRM-UHFFFAOYSA-N 363.215 3.696 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCC(=O)O)CC2=O 587476850 BBBNUKIVZDXWRV-LJQANCHMSA-N 370.401 3.905 0 1 FHAF COC(=O)c1cccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 587135051 RFSWCAAUOCETIH-UHFFFAOYSA-N 356.300 3.862 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(F)F)N1 587723254 WEIXTPYGNVJGRV-UOWDBTKRSA-N 350.178 3.562 0 1 FHAF CCOC(=O)[C@@H](C)[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 587412220 IEZLQHPTWWXLDB-CWTRNNRKSA-N 359.447 3.699 0 1 FHAF COC(C[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21)OC 587797877 YDSJSOVIJKHNOG-DIFFPNOSSA-N 374.294 3.983 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1nc(C)cs1)[C@@H](C2)C3=O 587453691 YNNYJRZELNHLOF-UGSOOPFHSA-N 352.415 3.740 0 1 FHAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccnc21 587581815 NBQVDGVYJVPINH-NQIIRXRSSA-N 372.380 3.982 0 1 FHAF CCS(=O)(=O)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 587780526 BZMLMHAEIKTQMN-RMKNXTFCSA-N 356.447 3.587 0 1 FHAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4ccc(N)cc41)[C@@H](C2)C3=O 587434708 YWQCPJLUMDYRRC-CVDCTZTESA-N 355.393 3.949 0 1 FHAF Cc1c(Br)cnc2[nH]c([C@@H](O)c3ccccc3Cl)nc12 587058717 IOVMYCGRWRTTAM-LBPRGKRZSA-N 352.619 3.764 0 1 FHAF COc1ccccc1CC(=O)c1nc2c(Br)c(F)ccc2[nH]1 587930224 NOVDHYUUCNHRCO-UHFFFAOYSA-N 363.186 3.899 0 1 FHAF COc1cnccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587773408 IIENYAABUYSTJU-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(C(C)C)nn(C)c1OC)CC2=O 587474064 ADHSJNXSJAHFBH-INIZCTEOSA-N 358.438 3.917 0 1 FHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(F)cc(F)c3[nH]2)c1 586931009 RNEXSHDNUHTIKF-UHFFFAOYSA-N 365.405 3.539 0 1 FHAF COc1cc2c(cc1OC)[C@@](CC(C)=O)(c1ccc(F)cc1)N(C)[C@@H](C)C2 962618890 FBOPVSUQDRTQBJ-RCDICMHDSA-N 371.452 3.942 0 1 FHAF c1ccc2c(c1)C[C@@H]2CCCN1CCN(c2cccc3c2OCCO3)CC1 13743661 LLKWFNZPBXIJAX-IBGZPJMESA-N 364.489 3.700 0 1 FHAF C/C=C\c1ccc(O[C@@H](C)[C@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 14647931 DIEIEAKVQCTJFH-GSBCNGTGSA-N 374.433 3.952 0 1 FHAF endogenous,in-man COc1cc(N)ccc1-c1cc2c(c(=O)[nH]1)[C@H](C1CCCCC1)N=[N+]2C 169700706 MEQLCCSBIKIYJU-IBGZPJMESA-O 353.446 3.994 0 1 FHAF CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1cc2ccccc2cn1 169730669 IWHGILGDGFRDBS-RTBURBONSA-N 362.385 3.621 0 1 FHAF O=C(Nc1nc2ncccn2c1-c1ccc(F)c(F)c1)c1ccccc1 203466085 QYJORQIZBMJNGG-UHFFFAOYSA-N 350.328 3.927 0 3 FHAF O=C(O)[C@H]1CCCN(CCO/N=C/C(c2ccccc2)c2ccccc2)C1 147050848 VNIZHIWMLNGQBA-NGIIGVMLSA-N 366.461 3.618 0 1 FHAF CCCC[C@](C)(O)CC=C[C@H]1[C@H](CCCCCCCO)C(=O)C[C@H]1O 2356331858 SPOAFZKFCYREMW-MMKMLUHNSA-N 354.531 3.773 0 1 FHAF Cc1nc2nc(-c3ccc(Cl)cc3Cl)nn2c(C)c1CCC(=O)O 4992332 RRYDWWMIQPXYGV-UHFFFAOYSA-N 365.220 3.732 0 1 FHAF CC[C@H](C)C(=O)C(=O)NCCc1cn(Cc2ccccc2)c2ccccc12 9133502 AQXQYGDGGAXTKI-KRWDZBQOSA-N 362.473 3.964 0 1 FHAF C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27560901 BLJVFAPRNAIBDS-INIZCTEOSA-N 366.461 3.795 0 1 FHAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccccc4F)nc3)[nH]c2c1 64511953 FCKLYWUQEVLIRI-UHFFFAOYSA-N 367.405 3.835 0 1 FHAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ncnc2nn3ccccc3c12 28129917 HOZIBEMSWFGKQX-UHFFFAOYSA-N 372.310 3.940 0 1 FHAF Cc1nc2sc3c(c2c2ncn(CCC4CC4)c12)CCC1(C3)OCCO1 26495626 XTFPJHIMNIIPIS-UHFFFAOYSA-N 369.490 3.986 0 1 FHAF COCCn1ncc2c1[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2 28528631 INEQZVGATSEVNJ-XWUOBKMESA-N 352.478 3.805 0 1 FHAF CCCNC(=O)c1ccc2cc([C@](O)(c3c[nH]cn3)C(C)C)ccc2c1 66066327 GICBPQGKGLLFIN-NRFANRHFSA-N 351.450 3.595 0 1 FHAF CC1=CCCC(C(=O)O)=CCc2cc(O)ccc2OC(C)(C)[C@@H](O)CC1 2356479991 LIVMTRFKKMBYGG-IBGZPJMESA-N 360.450 3.984 0 1 FHAF O=C(CC[C@@H](c1ccc(F)cc1)c1ccccn1)NCCCc1c[nH]cn1 26170595 XGZARAUZDBFDBB-IBGZPJMESA-N 366.440 3.605 0 1 FHAF CCCNc1ccnc(NC(=O)C2(C[C@H](CCC)C(=O)O)CCCC2)n1 35900424 REUQZHBGAKLLHL-AWEZNQCLSA-N 362.474 3.688 0 1 FHAF [O-][n+]1c2cc(C(F)(F)F)ccc2c2n1CCN=C2c1ccc(Cl)cc1 36383489 ZFPLAPUDDYWJCO-UHFFFAOYSA-N 365.742 3.798 0 3 FHAF Cc1cc2c(c(C)c1Br)C=C(C(=O)O)[C@@H](C(F)(F)F)O2 217519174 ZAEJFCCEYBSYJM-NSHDSACASA-N 351.118 3.857 0 1 FHAF O[C@@]1(c2ccc(Cl)cc2)C[n+]2cccnc2N1C1CCCCCCC1 72120578 XUAZBGAOJKTYRU-HXUWFJFHSA-N 358.893 3.801 0 1 FHAF CC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 40879807 TZIVVDOZEHUUFW-UHFFFAOYSA-N 362.216 3.710 0 1 FHAF O=C(Nc1ccccc1Cl)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 40011743 AFOPHVMIXFGVAM-MRXNPFEDSA-N 371.868 3.900 0 1 FHAF C[C@@H]1CCc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 49034672 VLGARHNNCOWEGF-GIPWTMENSA-N 351.837 3.941 0 1 FHAF COc1cc(Cl)ccc1O[C@H](c1cccc(F)c1)[C@@H]1CNCCO1 89465235 SGXWOKUJCWMPJE-ZWKOTPCHSA-N 351.805 3.596 0 1 FHAF in-vitro COc1c2ccoc2nc2c(OC)c(OC[C@H](O)C(C)(C)Cl)ccc12 141161202 GYELSEKKRALRGC-ZDUSSCGKSA-N 365.813 3.755 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)cc1OC 238770468 FSDMYBGAIBCOBH-HKZYLEAXSA-N 358.434 3.981 0 1 FHAF CSc1nn2cc(-c3nc4ccc(OCCF)cc4o3)nc2s1 143838104 GBULSPRXEFXSIW-UHFFFAOYSA-N 350.400 3.669 0 1 FHAF CC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 141515847 OPVGERYXUJNWTG-UHFFFAOYSA-N 365.458 3.886 0 1 FHAF COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 299819473 AIFCUVNKIXTICB-ULPGVBKRSA-N 359.510 3.709 0 1 FHAF Cc1ccc(CN2CC[C@@H]3CO[C@H](CN(C)Cc4ccco4)[C@@H]3C2)s1 299843634 VJQCGGUAPPSNMQ-NSISKUIASA-N 360.523 3.618 0 1 FHAF Cc1ccc(C)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 587113922 XBFOIYYEGSDNAF-UHFFFAOYSA-N 372.354 3.900 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCN(c3ccccc3OC)C1)CC2=O 587475114 JJGWWWPKJOVHDC-JOCHJYFZSA-N 367.445 3.968 0 1 FHAF COc1cc2c3c(c1)O[C@](CO)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587422628 QVQMAMWOWVIZLT-KPZWWZAWSA-N 365.212 3.637 0 1 FHAF C[C@H]1CCc2sc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2C1 587653357 GGRFDAPPDDPGJS-JTQLQIEISA-N 358.850 3.925 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)c(F)c1)[C@@H](C2)C3=O 587426125 LKZZEBUEZLDXTJ-BTYIYWSLSA-N 353.393 3.923 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)s1)CC2=O 587495787 UFIXKAJLHBQJJT-KRWDZBQOSA-N 373.474 3.949 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c[nH]nc2c1 587594405 KRVBDNBLFDHKPG-GHTZIAJQSA-N 358.353 3.971 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnccc2N(C)C)N1 587758039 WUDDGXXCNKBPRY-QGHHPUGFSA-N 364.262 3.673 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cccc(C)c1C)O2 587387845 SVQPONAQBBFNTH-OAQYLSRUSA-N 352.434 3.947 0 1 FHAF CSc1nnc(CCCO)n1-c1cc(Cl)c(Cl)c(Cl)c1 1857585888 LBOKBKLEZKVPEJ-UHFFFAOYSA-N 352.674 3.874 0 1 FHAF CCOC(=O)CCCCNCCOc1ccc(Cc2ccccc2)cc1 13475283 AEQJKSZXYRXBCY-UHFFFAOYSA-N 355.478 3.979 0 1 FHAF Oc1nc(CCCN2CCc3c([nH]c4ccccc34)C2)nc2ccccc12 13581572 KVSWJONATOQUSH-UHFFFAOYSA-N 358.445 3.808 0 1 FHAF COc1ccccc1C(=O)[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 13595784 WZNSZWACIMQSQV-QGZVFWFLSA-N 367.445 3.561 0 3 FHAF O=C(O)[C@H]1CC=C[C@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 13813362 UDRJPNGODPUWIV-SLEUVZQESA-N 354.233 3.619 0 3 FHAF CC(C)NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169370102 VOEVWWDYQIDNFO-NLMUFCCYSA-N 374.569 3.991 0 1 FHAF Cc1nn(Cc2ccc(-c3cc4ncccc4[nH]3)cc2)c(C)c1CC(=O)O 203686202 ORRQMTYAWWTVAR-UHFFFAOYSA-N 360.417 3.719 0 1 FHAF CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)cc1 772597 JSTBZWVGUSCCRE-PKOBYXMFSA-N 372.852 3.919 0 1 FHAF COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1OC 2483253 FTNPJDWXKDNDFW-UHFFFAOYSA-N 370.380 3.533 0 1 FHAF CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1cccc(Br)c1 4020269 ZFMXSRBTPYKOIH-ZACQAIPSSA-N 352.272 3.664 0 1 FHAF C[C@@H](NC(=O)N1C(=O)C[C@H]1SCC(=O)c1ccccc1)c1ccccc1 6494403 NFOKGPFWOJHSOP-AUUYWEPGSA-N 368.458 3.632 0 1 FHAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)c(OC)c1 103539154 WAKHWVAXDBWLPE-MRXNPFEDSA-N 372.450 3.689 0 1 FHAF CO/C(O)=C1/C(C)=Nc2nc(SC(C)C)nc(O)c2[C@@H]1c1cccnc1 103631215 BJGJMLRXKNMCAO-KAECEXQPSA-N 372.450 3.732 0 1 FHAF O=C(c1ccc(CSc2nc3cc[nH]cc-3n2)cc1)N1CCCCC1 102678753 JCWHDRABHHVZJS-UHFFFAOYSA-N 352.463 3.828 0 1 FHAF CNc1nc2cc(-c3cccc(CCC(=O)O)c3)sc2n2c(C)cnc12 28950784 AZZYYFANKVNGLA-UHFFFAOYSA-N 366.446 3.978 0 1 FHAF O=C(COc1ccccc1F)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 66124390 AFODOKQDVSHXAT-UHFFFAOYSA-N 367.380 3.772 0 1 FHAF O=C(Nc1cnc(-c2ccncc2F)c(-c2ccccc2F)n1)C1CC1 66065902 SVYGTBODIFTCOZ-UHFFFAOYSA-N 352.344 3.832 0 1 FHAF C[C@@H]1[C@H](O[C@]2(C)OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@H]2C)OC(=O)[C@H]2[C@H](C)CC[C@@H]21 2356629503 HXFBSJZTEMCZFX-BMYWLXIQSA-N 364.482 3.756 0 1 FHAF O=C1[C@H]2CCCC[C@@H]2C(c2ccc3c(c2)OCO3)=NN1Cc1ccccc1 26567778 WKKMQRVLLUFLGR-ROUUACIJSA-N 362.429 3.968 0 1 FHAF O=C1CSC(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)=N1 73296410 SCKMFGVJIOSCPI-MRXNPFEDSA-N 357.385 3.745 0 1 FHAF NCC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCC1 96175119 JIPAVNODPHBEFL-UHFFFAOYSA-N 373.460 3.842 0 1 FHAF COC(=O)[C@H]1[C@H](c2ccc(Br)c(Cl)c2)C[C@H]2CC[C@H]1N2C 261085320 CKYZQAZVIFDTJK-BVIHXZOGSA-N 372.690 3.842 0 1 FHAF CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 261190825 ZCMNJNNUKNOUAH-XYWHTSSQSA-N 356.510 3.696 0 1 FHAF O=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2ccsn2)nc1 261159183 QMKBUXDWYFGNMN-UHFFFAOYSA-N 373.434 3.905 0 1 FHAF C[C@H](CN1C(=O)CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(Cl)cc1 299847600 FNLOYSHYLCJHER-RMRKRWHISA-N 374.868 3.813 0 1 FHAF COc1ccc(OC)c(-c2cc(-c3ccc(C(=O)NC4CC4)s3)on2)c1 653831326 PINICRULTXQTEY-UHFFFAOYSA-N 370.430 3.980 0 1 FHAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 586950628 KISREMCRSCZDFC-UHFFFAOYSA-N 366.446 3.928 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1cn(C)nc1C)(C(F)F)CC2=O 587466021 LGEKSFPXSQDJPM-SFHVURJKSA-N 350.365 3.512 0 1 FHAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(I)cc2[nH]1 586910200 GRRWWNKJZGNCSW-GXFFZTMASA-N 356.207 3.840 0 1 FHAF CC(C)COc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1Br 587246421 JEIOCROQRRARBX-WDEREUQCSA-N 352.276 3.955 0 1 FHAF N=c1[nH]oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 587578240 VMOHYPYDWUSHHN-XLIONFOSSA-N 374.352 3.649 0 1 FHAF Cc1ccc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587775097 ZBCSDHRAIBSFEC-BJOHPYRUSA-N 351.219 3.621 0 1 FHAF CCn1ncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587579666 FKHSKWIMULFLIX-NQIIRXRSSA-N 364.401 3.794 0 1 FHAF Cc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1F 587132139 KWTALHJKPGAICJ-JTQLQIEISA-N 355.360 3.980 0 1 FHAF Cn1cc(Cl)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587552379 QXDYJYLSTUPBDH-HNAYVOBHSA-N 370.792 3.656 0 1 FHAF O=C(CCc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(F)cc1 587163348 PRALKESXYUUSJR-UHFFFAOYSA-N 366.165 3.814 0 1 FHAF COc1cccc(C2(c3nc4ccc(S(C)(=O)=O)cc4[nH]3)CCCC2)c1 587931578 AYNFBDUPVCLVCG-UHFFFAOYSA-N 370.474 3.835 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2ccccc12 587593949 JOYDNVADFLNOFC-UWJYYQICSA-N 358.353 3.971 0 1 FHAF Cc1sc2c(c1C)CCNC21CC(c2ncc3c(Cl)nccn23)C1 963024386 NDDWEXNHJLPNBA-UHFFFAOYSA-N 358.898 3.980 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cccnc1-c1ccco1 963609742 OEWRMBOZZLYULB-LRTDBIEQSA-N 350.418 3.982 0 1 FHAF COC(=O)c1ccc([C@@H]2NCCc3cc4cccc(OC)c4nc32)c(C)c1 963062198 XDDMWRPLBYJPJS-NRFANRHFSA-N 362.429 3.574 0 1 FHAF CC1(C)C=Cc2c(cc3oc(-c4ccc(O)cc4)c(O)c(=O)c3c2O)O1 13328293 XJQNLYIIAXPVHU-UHFFFAOYSA-N 352.342 3.761 0 1 FHAF biogenic COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12 13470670 XTICRBGKPDRHCR-UHFFFAOYSA-N 361.489 3.998 0 1 FHAF CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc[nH]c(=O)c12 13585116 KUOCASJKLHYCHF-UHFFFAOYSA-N 361.641 3.791 0 1 FHAF CN(CCc1ccc2c(c1)OCO2)C[C@@H]1CCCc2c1ccc1c2OCO1 13761407 KHIYOMBSNYPTJL-INIZCTEOSA-N 367.445 3.738 0 1 FHAF O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1n[nH]c2ccccc12 169347457 RMZRHHMOTREOMZ-UHFFFAOYSA-N 351.797 3.713 0 1 FHAF Cc1ccccc1/C=C1\CNC[C@@H]2C1=NC(=S)N[C@H]2c1ccccc1C 169729977 GTZSGHNRRUJVMX-ZARCXQAASA-N 361.514 3.977 0 1 FHAF O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccc(F)cc3)cn21 203688242 JOCMWJJTDJCKCT-UHFFFAOYSA-N 355.344 3.771 0 1 FHAF C[C@@H](Oc1ccccc1)c1cc2n(n1)CCN(c1ccc(F)cc1)C2=O 205367415 ZILCFACNWIDELD-CQSZACIVSA-N 351.381 3.823 0 1 FHAF CCc1ccc([C@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)o1 1857647907 QQMRBUUPHPWYOK-IBGZPJMESA-N 358.401 3.583 0 1 FHAF C[C@H](NC(=O)c1ccco1)c1cc2c(cc1Br)OCCCO2 668087 HZJNDPCPLNWGQB-JTQLQIEISA-N 366.211 3.694 0 1 FHAF CC(C)OCCCn1c(=O)c2ccccc2n2c(-c3ccccc3)nnc12 6781274 GDUOKGIXRRZKMK-UHFFFAOYSA-N 362.433 3.526 0 1 FHAF CCCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N 27875388 UQRCDZXVDDCTSO-UHFFFAOYSA-N 362.412 3.610 0 1 FHAF CCOc1cccc(-c2cc(NCCc3ccccn3)n3nccc3n2)c1 61906116 DEFIXJNKMPOCSS-UHFFFAOYSA-N 359.433 3.845 0 3 FHAF Fc1ccc(-c2cnc([C@H]3COCCN3Cc3ccccc3)[nH]2)c(F)c1 2356751549 RGKFZYFRBCJKKX-LJQANCHMSA-N 355.388 3.928 0 1 FHAF CN1CCN(C(=O)c2ccc(-c3ccc(F)c(F)c3)c3ccoc23)CC1 61927315 WEGVNEBWPZMPBP-UHFFFAOYSA-N 356.372 3.766 0 3 FHAF COc1ccc([C@@H]2C3=C(COC3=O)Nc3ccc4cc(C)[nH]c4c32)c(F)c1 71297136 GROKLNQESBXTRY-KRWDZBQOSA-N 364.376 3.992 0 1 FHAF COc1ccc(C(C)=O)cc1CSc1nc2ccccc2n1CC(=O)O 84668626 VCLQAHLNTRBSNX-UHFFFAOYSA-N 370.430 3.624 0 1 FHAF CN(C)C(=O)c1ccc(COCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 144391733 PPHGTZGXYAJCNM-UHFFFAOYSA-N 355.478 3.691 0 1 FHAF CCOC(=O)c1csc(-c2cc3ccc(N(CC)CC)cc3oc2=O)n1 141902872 HPSKEQPMBGKXGD-UHFFFAOYSA-N 372.446 3.939 0 1 FHAF CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1 96928782 CZPWGPOAWKVZFA-UHFFFAOYSA-N 363.204 3.813 0 1 FHAF CCCCNc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](CN)CC2)n1 261072144 AGYRCBTVZCTMOP-WKILWMFISA-N 354.502 3.680 0 1 FHAF Cn1cc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587496508 HRDTYTPLQNXSDA-OAHLLOKOSA-N 361.239 3.768 0 1 FHAF Cn1cc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2n1 587578856 BKNHOIGHRFHQQS-SIKLNZKXSA-N 372.380 3.982 0 1 FHAF Cc1ccc(NC2(c3nc4ccc(-n5cnnn5)cc4[nH]3)CCCC2)cc1 587236916 HMUNQFNELIEVHO-UHFFFAOYSA-N 359.437 3.728 0 1 FHAF OCc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586999378 YXUVVZGVIILXRG-RQOWECAXSA-N 373.206 3.717 0 1 FHAF C[C@@]1(CC(=O)NCc2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587508407 ASSISSKVSNYTFU-NRFANRHFSA-N 353.418 3.589 0 1 FHAF Cc1ccn(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587764835 RLLFZVWKEOURDI-BDJLRTHQSA-N 352.251 3.543 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)O2 587399671 MQSXGNJRONMTST-KBPBESRZSA-N 372.465 3.843 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc(F)c2)N1 587740515 XRRLMNMVUJVNEV-JDNHERCYSA-N 353.210 3.920 0 1 FHAF Cc1cc(O)cc(O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608906 NJJVQRDWKMJKEB-GHTZIAJQSA-N 364.353 3.815 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cc(F)cc(F)c1)O2 587386684 WBWGMRSMTVMAFO-SGSXCFNPSA-N 358.388 3.791 0 1 FHAF CCN1CC[C@]2(C[C@@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587757808 BMISDOHHNOVEDL-BWACUDIHSA-N 355.295 3.822 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)C(C)C 586933931 ZOHADDPCBGSXSI-HNNXBMFYSA-N 366.531 3.672 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587229848 CNSZXWOWYRHKKJ-HZPDHXFCSA-N 357.498 3.897 0 1 FHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(C(=O)O)ccc3[nH]2)s1 587024011 ZENWGLUNNRMSRC-UHFFFAOYSA-N 360.395 3.732 0 1 FHAF COC(=O)CCC[C@]1(c2ccc(OC)cc2)NCCc2cc(C)c(F)cc21 962370958 FSMUSGZCRWEFCC-JOCHJYFZSA-N 371.452 3.875 0 1 FHAF CCOC(=O)C[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 13518432 MDPSMJGFMAGIPN-KEKJONKRSA-N 358.478 3.789 0 1 FHAF CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4F)nc23)CC1 13523638 HUIKYZOZYAWSKD-UHFFFAOYSA-N 352.413 3.764 0 1 FHAF CSc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 169709281 DEUKSWBFIAKQOD-KSSFIOAISA-N 371.506 3.658 0 1 FHAF COc1ccc(C[C@H](N[C@H](c2ccccc2)C(F)(F)F)C(=O)O)cc1 1857542625 YRRXVUMICWUKLO-JKSUJKDBSA-N 353.340 3.584 0 1 FHAF COc1ccc(-c2cnc3cnc(-c4ccc5c(ccn5C)c4)cn23)cn1 1857602995 NQVGYFWBXCMWKU-UHFFFAOYSA-N 355.401 3.959 0 1 FHAF CCc1c(C)nn(CCNC(=O)[C@H]2[C@H](c3ccc(F)cc3)C2(C)C)c1C 1857642203 GQZOLOMMBPRALU-RBUKOAKNSA-N 357.473 3.757 0 1 FHAF COC(=O)c1ccc(Cn2ccc(=O)c3cccc(C(F)(F)F)c32)cc1 104969301 OLRIJTYVCMEKHD-UHFFFAOYSA-N 361.319 3.855 0 1 FHAF COc1ccc2c(c1)cc(C(=O)N(C)C[C@H]1CCCN3CCCC[C@H]13)n2C 2356488297 HUJWQADYHQDGFP-OXQOHEQNSA-N 369.509 3.523 0 1 FHAF CCCCC[C@](C)(O)C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 2356550100 OMNFCPCBKCERJP-IGGJEDBVSA-N 368.514 3.865 0 1 FHAF COc1cc(C(=O)c2cc(N)ccc2-c2nccs2)cc(OC)c1OC 64574029 GFVCSBBZUFSRFF-UHFFFAOYSA-N 370.430 3.649 0 1 FHAF Cc1cccc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@@H]3CCCC[C@@H]32)n1 71329805 QQJZBMHHFXIKEI-KAGYGMCKSA-N 350.462 3.683 0 1 FHAF CN(C)C(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72102127 KWAJVDZIZNYOSN-IBGZPJMESA-N 372.900 3.560 0 1 FHAF Cc1cc(=O)oc2cc(OC(=O)CNc3nc4ccccc4s3)ccc12 72118201 SPOWTSPAZJFQPN-UHFFFAOYSA-N 366.398 3.729 0 1 FHAF O=C(NCc1ccccc1OC(F)(F)F)N1CC[C@@H](c2ccncc2)C1 49052130 QCMYNIHAZUWGBC-OAHLLOKOSA-N 365.355 3.679 0 1 FHAF N[C@@H](CCCCCC(=O)c1ccon1)c1ccn(-c2ccc(F)cc2)n1 1911579267 ULVBVRHTPUIWJF-INIZCTEOSA-N 356.401 3.833 0 1 FHAF CCOc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC(C)C)n2)cc1 82195872 LBJXWBNZPRIVGD-KRWDZBQOSA-N 359.495 3.702 0 1 FHAF O=C(NCc1cccc(Cl)c1C(F)(F)F)[C@@H]1COc2ncsc21 220861800 LMCZKNIJYGJACJ-MRVPVSSYSA-N 362.760 3.608 0 1 FHAF CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(C(F)(F)F)nc1 84655093 FWZLJNGQOYKVDM-MRXNPFEDSA-N 364.367 3.590 0 1 FHAF CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(F)cc1 40875260 FQQBEIJONNHOOQ-UHFFFAOYSA-N 372.421 3.565 0 1 FHAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccccn4)cc3=O)cn12 223392444 BMRXFTJAMFWTLI-UHFFFAOYSA-N 372.428 3.645 0 1 FHAF COCCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc(C)c2)n1 82145040 PQSNOZYPGDWAND-UHFFFAOYSA-N 370.497 3.628 0 1 FHAF COCCn1c(-c2ccc(C)o2)nc2c(NCc3cccs3)ncnc21 82190456 IISAMBIOBVZESF-UHFFFAOYSA-N 369.450 3.715 0 1 FHAF O=C(Cc1cc(Cl)ccc1C(F)(F)F)N[C@H]1COc2ncccc21 146501607 ULHWEWNRGLJCHH-ZDUSSCGKSA-N 356.731 3.546 0 1 FHAF CC(C)[C@]1(O)CC[C@]2(C)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)c3ccccc3)[C@@H]21 38986973 KCLKOOIYAAERJD-IQHZCEOMSA-N 358.478 3.967 0 1 FHAF biogenic CN(C)CCNc1c(-c2nc3ccccc3[nH]2)c(O)nc2sccc12 299830832 PUXHRNVJEJFFSZ-UHFFFAOYSA-N 353.451 3.519 0 1 FHAF C[C@H]1CCc2cc(Br)ccc2N1C(=O)c1ccc(O)cc1O 653685702 JZKWCVYCWBMBFY-JTQLQIEISA-N 362.223 3.842 0 1 FHAF COc1cnccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587771039 BDPVFQLPHBCZDP-JDNHERCYSA-N 351.219 3.615 0 1 FHAF COc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1OC 587040638 PRJRELRSERRHKN-LBPRGKRZSA-N 365.455 3.563 0 1 FHAF CC(C)COc1cc2nc(C[C@H](C)N(C)C)[nH]c2cc1Br 587192020 QGLQKRLGMOVQGT-NSHDSACASA-N 354.292 3.853 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587232120 UGFGIQFAPQKITQ-NEPJUHHUSA-N 369.387 3.618 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(OC)ccc2C[C@H]1N=O 587469262 MDXRGLMEIZGGKS-TZIWHRDSSA-N 367.401 3.905 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ncccc3C2)N1 587779557 UAEWKGHZPHYBMD-ADLMAVQZSA-N 361.258 3.902 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2occc2C(=O)O)N1 587826587 FHCVJYOKPFWALG-CPFSXVBKSA-N 354.175 3.503 0 1 FHAF C[C@@]1(CCN2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585140 CLXUHRAORNMGGF-UGKGYDQZSA-N 367.445 3.989 0 1 FHAF C[C@H](N)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587749425 PIDFSDRZLVVTMW-SOZUMNATSA-N 363.274 3.713 0 1 FHAF COc1ccc(CCNc2cc(C3CCCCC3)nc3ncnn23)cc1 1772572322 VNUZYHAATHURNO-UHFFFAOYSA-N 351.454 3.835 0 1 FHAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)NC2CC2)C1 5056227 VCZWYUPHMMGCFI-HNNXBMFYSA-N 373.884 3.794 0 1 FHAF CCc1c(Sc2ccccc2)n(CCCc2ccccc2)c(=O)[nH]c1=O 13775994 WORIVTYCJIUINA-UHFFFAOYSA-N 366.486 3.883 0 1 FHAF O=C(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1CN1CCCC1 13861045 ZVGFRYLMFAMUON-KRWDZBQOSA-N 354.416 3.725 0 1 FHAF C[C@H]1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1 14970899 ROYXMGVXIACORO-ZDUSSCGKSA-N 353.857 3.590 0 1 FHAF CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1 15074253 SDSHAWXSIGOFPD-SFHVURJKSA-N 372.488 3.957 0 3 FHAF C[S@](=O)CCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 205055100 UOSFMIJOOFCUID-SANMLTNESA-N 369.446 3.680 0 1 FHAF CC(=O)c1c(O)c2cc(F)cc(F)c2[nH]c1=NCc1ccc(F)cc1F 1857590793 JZTAYZHEVPUOPJ-UHFFFAOYSA-N 364.298 3.733 0 1 FHAF CN=c1nc(Nc2ccc(F)cc2)[nH]c(Oc2c(C)cc(C)cc2C)n1 1857768850 VDVMUVYCFYHRJP-UHFFFAOYSA-N 353.401 3.935 0 1 FHAF CCn1c(C)nc2cc(S(=O)(=O)C(F)(F)[C@H](F)C(F)(F)F)ccc21 2340419 QAYZZIOKQQPPEG-LLVKDONJSA-N 374.306 3.632 0 3 FHAF O=C1Cc2ccccc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1 3814232 NYIRMCGMHBUQGJ-UHFFFAOYSA-N 362.473 3.514 0 1 FHAF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4055352 QAEZLBCBRWDDSB-PKOBYXMFSA-N 372.852 3.585 0 1 FHAF O=C(CCc1nn2c(COc3ccccc3)nnc2s1)c1ccccc1 103214895 QVAAAKHXUMEEKO-UHFFFAOYSA-N 364.430 3.580 0 1 FHAF Cc1ccnc(NC(=S)NC2CN(c3cccc(C(F)(F)F)c3)C2)c1 103254374 ASDCHMDZDDMWRX-UHFFFAOYSA-N 366.412 3.584 0 1 FHAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2c(F)cc(F)cc32)cc1OC 26674452 HGPUOFMXABMTJJ-INIZCTEOSA-N 358.388 3.893 0 1 FHAF CC(=CC(=O)O[C@@H]1C[C@@H]2[C@H](C)CN(C)C[C@H]2[C@H]1C)CCC=C(C)C(=O)O 2356680996 ATLOQCAJYLXOFN-IEWDOMPSSA-N 363.498 3.509 0 1 FHAF CN(Cc1ccccc1)C(=O)C[C@@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 74373447 XUQQHOFJVRDKHN-FQEVSTJZSA-N 371.868 3.729 0 3 FHAF COc1c(O)c2c(c3ccoc13)O[C@@H](c1ccc3c(c1)OCO3)CC2=O 14594229 NDRSNJAZIATHAK-CYBMUJFWSA-N 354.314 3.582 0 1 FHAF biogenic O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncn2-c2ccccn2)C1 218507877 AVIUKZFCDHPWLU-UHFFFAOYSA-N 373.243 3.773 0 1 FHAF CN1CCC[C@]12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 95590069 GGZYNACHZGNEJH-IBGZPJMESA-N 371.278 3.917 0 1 FHAF Cc1n[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587801662 HSAIHEWWKYYBPW-BCTVWOGZSA-N 352.251 3.726 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1cccc(F)c1)(c1ccccn1)[C@@H](C2)C3=O 587428761 PHPQSIMDEHLRBA-HTAPYJJXSA-N 361.372 3.921 0 1 FHAF COc1cc(OC)c2[nH]c(CCCNc3cc(C)ccc3OC)nc2c1 587228390 CAVVSGLCBPHADF-UHFFFAOYSA-N 355.438 3.942 0 1 FHAF CN1CCC[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342551 FJRGDRQWIARENE-FPOVZHCZSA-N 355.409 3.745 0 1 FHAF O=C(NCCc1nc2cc(Cl)nc(Cl)c2[nH]1)OCc1ccccc1 587228672 WBZXRFRINNIDRU-UHFFFAOYSA-N 365.220 3.734 0 1 FHAF Nc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575330 JDTXXIJCMDVSNP-UGKGYDQZSA-N 359.381 3.778 0 1 FHAF Cc1onc(-c2nc3nccc(N)c3[nH]2)c1COc1ccc(Cl)cc1 587076460 UAOZIFOBBWHKHX-UHFFFAOYSA-N 355.785 3.736 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ncnc1N(C)C)CC2=O 587462468 QIZNPTKDMHVIFN-CQSZACIVSA-N 361.829 3.561 0 1 FHAF Cc1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 587019575 OQHGMZZARFTNFY-UHFFFAOYSA-N 364.430 3.877 0 1 FHAF COc1cncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587584509 APDSHNCTYMZSDF-RXVVDRJESA-N 363.369 3.673 0 1 FHAF CCOC(=O)c1ccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2c1 587022441 WZNSLMSZTIOGNQ-UHFFFAOYSA-N 364.430 3.943 0 1 FHAF Cn1cncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345157 YOYRZTSSNAUESX-QUCCMNQESA-N 352.365 3.539 0 1 FHAF COc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1C 587038738 LQDOZOBRKCUPAU-UHFFFAOYSA-N 361.427 3.745 0 1 FHAF O=C(O)CCN(CCc1nc2cccc(Cl)c2[nH]1)Cc1ccccc1 587193640 NUJPJXQGXBMDKX-UHFFFAOYSA-N 357.841 3.736 0 1 FHAF Cc1cc(Br)cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c12 587149309 DLTCIKXYCSFBFD-ZDUSSCGKSA-N 352.182 3.960 0 1 FHAF Cc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)c2ccc(F)cc2C[C@H]2CCCN21 963097763 HKFYJTLPYBNXDX-OPAMFIHVSA-N 365.404 3.759 0 1 FHAF C[S@](=O)CCCCNC(=S)Sc1ccc(Br)cc1 1857649510 VBNDGFRFQJIDAI-SFHVURJKSA-N 366.371 3.574 0 1 FHAF C[C@H](O)c1cc(C(=O)N[C@H](C)c2c(F)cccc2F)ccc1-c1cn[nH]c1 1772617486 YVTWDJQRSGSDSG-NEPJUHHUSA-N 371.387 3.899 0 1 FHAF O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC(c2ccccc2F)=NO1 12727085 JCYSHOIXJAIDTJ-MRXNPFEDSA-N 366.314 3.654 0 3 FHAF O=C1C(=O)N(CCCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 169340979 MPKNFMJBTXOJFD-UHFFFAOYSA-N 365.307 3.584 0 3 FHAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@@H]2CCCC[C@@H]12 169350238 TYJSHDWVKFXKBY-WOJBJXKFSA-N 351.494 3.643 0 1 FHAF CC1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)n2)CC1 201795187 IHMZNQJZKXZURQ-UHFFFAOYSA-N 350.871 3.823 0 1 FHAF Oc1ccc2c(c1)CCN(CCCCc1ccc(OCCF)cc1)C[C@H]2O 1857541457 RPFRSXXUVPQMQP-JOCHJYFZSA-N 373.468 3.655 0 1 FHAF Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Nc2nc(C3CC3)cs2)n1 1857557881 XOPGXNXJXRXUEC-BXUZGUMPSA-N 359.451 3.532 0 1 FHAF O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773429 QAYRQZDZKUIUID-JKSUJKDBSA-N 370.380 3.774 0 1 FHAF CC(=O)[C@]12CCC(C)=CC[C@@]13CC[C@H]2[C@@](C)(C=CC=C(C)C(=O)O)OC3=O 2356381582 RLMSZFYLXGZYPL-XGARDCMYSA-N 372.461 3.991 0 1 FHAF O=C(CSc1nc2cc[nH]cc-2n1)Nc1ccccc1C(F)(F)F 101898509 HHVPIUCLZFILKR-UHFFFAOYSA-N 352.341 3.659 0 1 FHAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Cl)cc1 29477838 GYEJXOIWVTWOBU-UHFFFAOYSA-N 355.751 3.613 0 1 FHAF Cc1noc(-c2ccc(N3CCC(Oc4ccccc4Cl)CC3)nn2)n1 28655425 JUWIPDLTQHIDEA-UHFFFAOYSA-N 371.828 3.536 0 1 FHAF Cc1ccnnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)[C@H](C)C1 28395952 MUTVLTYWFCZGMI-MRXNPFEDSA-N 367.497 3.825 0 1 FHAF CCOCCOc1ccc(-c2cn3nc(OCC4CC4)ccc3n2)cc1 36399089 LIXVBUHRWLTQAD-UHFFFAOYSA-N 353.422 3.600 0 1 FHAF O=C(NC1CCCCC1)c1cn(Cc2ccccc2)c2ncccc2c1=O 35050265 QILANEORVPUSBI-UHFFFAOYSA-N 361.445 3.507 0 1 FHAF CC[C@@]1(c2ccccc2)OC(=O)C[C@@]1(Cc1ccc(OC)cc1)C(=O)OC 73167318 IJLFWJKLZPQOTO-VXKWHMMOSA-N 368.429 3.650 0 1 FHAF CN1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O 71316962 YEFYNZHDZSJWCN-QGZVFWFLSA-N 367.880 3.735 0 1 FHAF COc1ccc([C@H]2C3=C(COC3=O)Nc3ccc4sc(C)nc4c32)cc1 73157638 VQXIYMILYHICOT-MRXNPFEDSA-N 364.426 3.982 0 1 FHAF COc1cc2c(cc1[C@@H]1COc3cc(O)ccc3C1=O)C=CC(C)(C)O2 14708792 DHANKGWTWAAPOA-INIZCTEOSA-N 352.386 3.944 0 1 FHAF biogenic O=C(N1CC[C@H](c2c[nH]c3ncccc23)C1)C1(Oc2ccc(F)cc2)CC1 84714862 KCBVNBGEYCNXOY-AWEZNQCLSA-N 365.408 3.630 0 1 FHAF COc1ccc(F)cc1-c1cc(NCc2cccc(OC)c2OC)ncn1 82161963 AWMPQKGVGPLYTB-UHFFFAOYSA-N 369.396 3.921 0 1 FHAF COc1cc(O)c(C(=O)c2cc(O)cc3c2C=CC(C)(C)O3)c(OC)c1 238749339 BARZGEQZVUHGGI-UHFFFAOYSA-N 356.374 3.530 0 1 FHAF COCCOc1cccc2oc(-c3cn4nc(SC)sc4n3)cc12 653754913 LQGNBMVSICQATP-UHFFFAOYSA-N 361.448 3.951 0 1 FHAF Brc1ccc(Br)c2[nH]c(C3CC4(COC4)C3)nc12 586918352 XHKDTJCWRKBIJV-UHFFFAOYSA-N 372.060 3.982 0 1 FHAF Cc1ccc([C@]2(CO)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587829785 YAWLNNKMMFQTBF-SGTLLEGYSA-N 364.258 3.667 0 1 FHAF Oc1nc2cc3[nH]c(-c4cc(-c5cccc(Cl)c5)[nH]n4)nc3cc2[nH]1 587067851 AHVKPXBJXUYLNP-UHFFFAOYSA-N 350.769 3.855 0 1 FHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587926085 HLHZQRSZYPLXMZ-AWEZNQCLSA-N 374.462 3.526 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(Cl)cc1OC)[C@@H](C2)C3=O 587424219 YDTXGTCFRVEZCY-BUXKBTBVSA-N 360.793 3.855 0 1 FHAF O=S(=O)(c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1)C(F)(F)F 586904857 CIVAGNYKCBOPTA-UHFFFAOYSA-N 356.325 3.605 0 1 FHAF O=C(O)c1cc2n(n1)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587107784 UMZHTHJHNKSJQF-UHFFFAOYSA-N 367.364 3.564 0 1 FHAF Cc1ccc([C@@]2(c3ccccc3)NCCc3ccc(C(=O)N(C)C)cc32)cn1 962922692 GLDMUHDRTPLIPK-XMMPIXPASA-N 371.484 3.529 0 1 FHAF COC(=O)c1cc([C@]2(C)c3ccsc3CCN2Cc2ccco2)c[nH]1 962699754 ANPFZCQPCCBSFT-LJQANCHMSA-N 356.447 3.778 0 1 FHAF C[C@]1(c2nc(-c3ccccc3)cs2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962906351 XWDJGUVMZJJXDL-JXFKEZNVSA-N 368.433 3.812 0 1 FHAF COc1cc2c(C)[nH]c(=O)c(Cc3cccc4cnccc34)c2cc1OC 169703363 FMSANJIVZDRHEG-UHFFFAOYSA-N 360.413 3.993 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1F 169723928 YRXCEVDLAFSRTE-RDJZCZTQSA-N 361.413 3.789 0 1 FHAF O=C1C=C[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2C=CCCC[C@H](CCc2ccccc2)O1 1857626505 CSSYWQYQCALYND-PVIWCNJMSA-N 370.489 3.575 0 1 FHAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774714 HLCMEAZQNKKLOD-LBPRGKRZSA-N 360.797 3.756 0 1 FHAF CC(C)=CCc1cc2c(c3c1[C@H]1C[C@@H](C3=O)[C@@H]1C)OC(C)(C)[C@@H](O)C2=O 2356326606 YRDFJEHXATZPAY-VZIIKCOPSA-N 354.446 3.846 0 1 FHAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@]1(C)CC[C@@]13C[C@H](CC[C@]12C)[C@@](O)(CO)C3 2356441682 BADRGIKXWOSHML-MHZHAZPJSA-N 364.526 3.988 0 1 FHAF COCCCNC(=O)c1oc2ccc3c(c2c1C)[C@H](O)CC1(CCCC1)O3 6940724 PYWKYGFCTPHFNK-CQSZACIVSA-N 373.449 3.636 0 1 FHAF COc1ccc(OC)c(CCC(=O)Nc2ccc3nc(C)cc(N)c3c2)c1 103236409 CCYDYOCFYSKEGA-UHFFFAOYSA-N 365.433 3.714 0 1 FHAF CC(=O)[C@H](O)C(=CCO)[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)O1 2356610402 ZRCMCFDZTMUNHB-LXIBVNSESA-N 364.526 3.645 0 1 FHAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@](C)(O)[C@@H]2C)cc1OC 2356657349 BXRCKMALLHPXEJ-DZKUTHLPSA-N 372.461 3.796 0 1 FHAF COC(=O)C=C1C[C@H](C)[C@@H]2C3(CC(=O)[C@@H]4C(C)(C)CCC[C@@]24C)OC1O3 2356659455 DZUJBZDHDGENTK-BTQXEPRRSA-N 362.466 3.616 0 1 FHAF COc1ccc([C@@H]2SCC(=O)N2c2ccc3c(C)cc(=O)oc3c2)cc1 49708690 QQKLDOMSLUTNQX-FQEVSTJZSA-N 367.426 3.889 0 1 FHAF COC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccccc1 49126169 BXUJIJYEAROQNO-NRFANRHFSA-N 353.418 3.574 0 1 FHAF NC(=O)C[S@](=O)Cc1ccccc1Oc1cc(Cl)cc(Cl)c1 84713278 XIJBKNCJTGUWHU-QFIPXVFZSA-N 358.246 3.520 0 1 FHAF CN(C)Cc1nc(-c2cccc(O)c2)n(-c2ccc(C(C)(C)C)cc2)n1 45347800 AFYXROWBOMSTBN-UHFFFAOYSA-N 350.466 3.999 0 1 FHAF CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)c1Cl 84710170 VYLCUHLSDCHMLS-UHFFFAOYSA-N 360.866 3.765 0 1 FHAF CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N(C)[C@H]2CO 95877857 IUNVSTYRUPPOTA-BUKVSMQUSA-N 368.452 3.603 0 1 FHAF CCN(C(=O)Cn1c(=O)oc2ccc(-c3cccnc3)cc21)c1ccccc1 96939242 AWITUAPEDVIANH-UHFFFAOYSA-N 373.412 3.710 0 1 FHAF O=C(N[C@@H]1CCC[C@@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1ccncc1 95587704 DYZFVEGUTIJBOD-XLIONFOSSA-N 369.852 3.623 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4C5=C(CC[C@@]4(C)[C@H]2CC[C@H]1C3)OCC5 253673083 PFBDJHPYAAHUPA-NWEGLSFGSA-N 360.494 3.972 0 1 FHAF Cc1noc(CC[C@H]2CC(=O)c3cc(Cl)cc(Br)c3O2)n1 299841052 XPCVYFSZCSQJDI-VIFPVBQESA-N 371.618 3.761 0 1 FHAF CC(=O)NCCc1ccc(OC2CCC(O)CC2)cc1-c1cccc(F)c1 653730835 IYONIYSIEDURPH-UHFFFAOYSA-N 371.452 3.854 0 1 FHAF CCOc1n[nH]c(-c2nc3ccc(F)c(Br)c3[nH]2)c1Cl 587064473 BAZMQDYGUNVZTH-UHFFFAOYSA-N 359.586 3.907 0 1 FHAF Cn1nc(C2CC2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580447 HZXZARNKSGIPET-WIYYLYMNSA-N 362.385 3.706 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4c(Br)nccc4[nH]3)oc12 586902983 DSPKXTIESUYJMB-UHFFFAOYSA-N 372.178 3.955 0 1 FHAF COc1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2n1 587242385 UQOZTWWXIWVEBZ-UHFFFAOYSA-N 356.382 3.686 0 1 FHAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587774576 WQMRGBGGWCMPJO-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 587785055 KCVLKOZBVWCZSE-RYUDHWBXSA-N 372.222 3.664 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CC2)COC1 587609157 MIMVIZOSVGPEPR-QGZVFWFLSA-N 352.386 3.683 0 1 FHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 587785362 NOMQLABJTBLSOH-RYUDHWBXSA-N 372.222 3.664 0 1 FHAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c[nH]c(=N)[nH]c-2n1 586982578 MDNLOVZJPIFAHJ-LBPRGKRZSA-N 374.286 3.852 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)OCCO3)CC2=O 587484534 GSLRZUSCHLSEOW-NRFANRHFSA-N 354.402 3.997 0 1 FHAF Cc1nc2[nH]c(Cc3c(F)cncc3Cl)nc2cc1Br 587175755 GZNWIOVWYLBXLL-UHFFFAOYSA-N 355.598 3.807 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4cccnc41)[C@@H](C2)C3=O 587437093 WUDHVPRRXZGMNB-NYHFZMIOSA-N 357.365 3.887 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)c(OC)c1)[C@@H](C2)C3=O 587445339 VLCCGMPVHKCIQT-KSFYIVLOSA-N 365.429 3.793 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 587016702 ARFUNPUPWIAWIS-UHFFFAOYSA-N 371.809 3.583 0 1 FHAF NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330542 BXAVTIJQYGRSJQ-IFMALSPDSA-N 363.388 3.744 0 1 FHAF Cc1nnc(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)s1 587535011 HEXXQBGZVXKVQY-UHFFFAOYSA-N 369.490 3.730 0 1 FHAF OCc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587116363 VDXDTJIIDJOSIY-UHFFFAOYSA-N 372.144 3.899 0 1 FHAF Cc1cc2c(cc1O)[C@](Cc1ccccc1)(c1ccccc1)N[C@H](C(=O)O)C2 963529760 XLBNMAFRPUKCEU-URXFXBBRSA-N 373.452 3.786 0 1 FHAF COc1cc2c(cc1OC)[C@@]1(CCOc3ccc(C)cc31)N(C)[C@H](C)C2 962625539 JFUOPDFSZYJCMA-IVZQSRNASA-N 353.462 3.915 0 1 FHAF CCOC(=O)CC[C@@]1(c2ccc(C)c(C)c2)NCCc2ccc(O)cc21 963341576 MKRKUBAPVZJPJT-QFIPXVFZSA-N 353.462 3.742 0 1 FHAF Cc1ccc(Cn2nc(C)c([C@@H]3NCCc4nc5ccccn5c43)c2C)cc1 962985545 PMYRXAIGSZATSO-QFIPXVFZSA-N 371.488 3.739 0 1 FHAF Cn1c(Br)cnc1[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963125228 SCQQHOSLXCJYTE-GFCCVEGCSA-N 361.070 3.725 0 1 FHAF Cc1cc(C(=O)Nc2ccc(F)c([C@]3(C)C=CSC(=N)N3)c2)n(C)c1 1772655481 DJGHFMRRVDQGCO-SFHVURJKSA-N 358.442 3.725 0 1 FHAF CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)N3CCCCC3)ccc2O1 5070061 ILFBODCVZSUTDF-MJGOQNOKSA-N 372.509 3.684 0 1 FHAF NC1=NC[C@H](Cc2ccc(O)cc2)N1CCC12CC3CC(CC(C3)C1)C2 13662149 FLQJADCPCJPEIP-ONUXSRJRSA-N 353.510 3.540 0 3 FHAF C1=C(CCN2CCN(c3cccc4c3OCCO4)CC2)c2ccccc2C1 13743675 HUWKCPFVNWFSLI-UHFFFAOYSA-N 362.473 3.610 0 1 FHAF O=C(NCc1ccc(C(=O)Nc2ccccc2)cc1)OCc1cccnc1 13799553 BRGUSLXEIGNKCA-UHFFFAOYSA-N 361.401 3.760 0 1 FHAF CCNC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)Nc2ccccn2)C[C@H]1C(C)C 2356320951 AWBQJQHZFQVWKV-SQNIBIBYSA-N 372.513 3.584 0 1 FHAF CC(C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 2469308 RGPQSUQEYRDNEV-PMACEKPBSA-N 361.445 3.603 0 1 FHAF O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cc2ccccc2oc1=O 4276147 BLRKDGDKFIRKKL-UHFFFAOYSA-N 367.748 3.749 0 1 FHAF CC(C)[C@]1(O)CC[C@]2(C)C=C[C@](C)(O)C[C@@H](OC(=O)c3ccccc3)[C@H]21 2356421700 RLHMEXGBDMGLGZ-OPNZPCBVSA-N 358.478 3.726 0 1 FHAF CCCCN(C)C(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21 6878152 KYBMJHHUFITQCV-UHFFFAOYSA-N 373.840 3.746 0 1 FHAF COCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12 9406575 NNKKLADUIOKYBF-UHFFFAOYSA-N 369.421 3.731 0 1 FHAF CCCN1C(=O)c2ccccc2[C@]1(O[C@H]1CC[C@@H](O)C1)c1ccc(F)cc1 117213284 QBTWQHLSEJRMBJ-KGVIQGDOSA-N 369.436 3.823 0 1 FHAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(C(F)(F)F)cc1 100912776 DDASMJFFKOSRQN-YMGBCCQXSA-N 351.368 3.745 0 1 FHAF COc1ccc(C2=NN(C3CCCC3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26567815 PMDTUKRFGFOQKR-IAGOWNOFSA-N 356.466 3.999 0 1 FHAF C[C@@]1(C(=O)NCc2cccs2)Cc2c(-c3ccccc3)ccnc2O1 61907643 YADFLICCOFQOES-FQEVSTJZSA-N 350.443 3.820 0 3 FHAF CSc1ccc(CN2CC[C@@]2(C)C(=O)Nc2ccc3c(c2)OCO3)cc1 61908196 ADMHYBDEOMMCFT-FQEVSTJZSA-N 370.474 3.740 0 3 FHAF Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)(C)C)cc1 28889200 GRWWMWQTKFKHLE-UHFFFAOYSA-N 363.465 3.977 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C4=NCCO4)[C@@H]3CC[C@H]12 26395188 MCQUWTXHJRSZGA-SFNUOOIRSA-N 358.526 3.895 0 1 FHAF COC(=O)C[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 84757469 DUGUIBVGZCVHAK-QGZVFWFLSA-N 371.502 3.744 0 1 FHAF Cc1ccc(CNc2nc(N3CCC(N4CCCC4)CC3)ncc2C)cc1 82203554 ZZSQKFOFIDZAPK-UHFFFAOYSA-N 365.525 3.770 0 1 FHAF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)[C@H](C)c1ccc(F)cc1Cl 40880656 LGURHLFOVULKNO-BZNIZROVSA-N 374.861 3.997 0 1 FHAF COC(=O)CCCCN(C)[C@@]1(c2ccccc2Cl)CCCCC1=O 96911388 FRANGXMVILSKAR-LJQANCHMSA-N 351.874 3.954 0 1 FHAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4ccncc4)n3)ccn2)CC1 261182515 WKBAKULLHSZMMK-WGSAOQKQSA-N 374.492 3.833 0 1 FHAF O=C(Nc1cncc(Oc2cncc(F)c2)n1)c1cccc(Cl)c1F 299825679 MYVPYRDVSXAUFI-UHFFFAOYSA-N 362.723 3.848 0 1 FHAF COc1cc(-c2cnc3cnc(-c4ccc5c(c4)OCO5)cn23)ccc1O 653773142 HQJAUKDRJXZXCI-UHFFFAOYSA-N 361.357 3.506 0 1 FHAF CC(C)[C@@H](c1nc2c(Cl)ncnc2[nH]1)N(C)C(=O)OCc1ccccc1 587197800 OQMNFTHVRBLWMR-AWEZNQCLSA-N 373.844 3.972 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccn1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587430191 FQZRMEBVAWSTDS-UGSOOPFHSA-N 355.390 3.769 0 1 FHAF CC1=C(c2ccc3nc(CCc4cc5ccccc5o4)[nH]c3c2)NNC(=O)C1 586906711 GSGKUGZFKMIVIF-UHFFFAOYSA-N 372.428 3.850 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)NC(C)C)cc1)O2 587385904 FRUTZWXPBPKFSH-OAQYLSRUSA-N 367.449 3.988 0 1 FHAF O=C(Nc1ccccc1Cl)c1nc2nccc(Br)c2[nH]1 587060458 MMSYXTBLIJHBDL-UHFFFAOYSA-N 351.591 3.626 0 1 FHAF Oc1cccc2c1OCC(c1nc3nc(Cl)nc(C(F)(F)F)c3[nH]1)=C2 586907694 ISXJOXYCUUZWAU-UHFFFAOYSA-N 368.702 3.664 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN[C@H]1CCCC[C@@H]12 587597193 UEQCNTMRHURMCN-ZLFOXAAKSA-N 365.429 3.645 0 1 FHAF Cc1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1C 586920022 DEBCQSOCHPBLAJ-UHFFFAOYSA-N 354.475 3.685 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(C)(=O)=O)cc1)CC2=O 587487930 OKYDCYQMHBAKRR-FQEVSTJZSA-N 374.458 3.629 0 1 FHAF Cc1cnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 586998656 NJJNUDLHQVGPJH-NSCUHMNNSA-N 358.195 3.928 0 1 FHAF CN(C)c1ccccc1C[S@](=O)c1nc2c(n1-c1ccccc1)CCC2 13746036 BCROKYQFZXPJQN-AREMUKBSSA-N 365.502 3.735 0 1 FHAF CCC(=O)NCCc1c(Br)[nH]c2cc(Br)ccc12 13781227 MZTOUJWOOZJBPB-UHFFFAOYSA-N 374.076 3.762 0 1 FHAF O=C(O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 16955732 NKPJFGAGJYQMKK-UHFFFAOYSA-N 364.492 3.629 0 1 FHAF O=C(Nc1cccc2c1C[C@@H](O)C2)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 169704948 HQLJSFBVHMPCSV-JLSDUUJJSA-N 354.425 3.743 0 1 FHAF O=C(NOCCCO)c1ccc(F)c(F)c1Nc1ccc(Cl)cc1F 1857618031 MUYVRWDNOMMBDN-UHFFFAOYSA-N 374.746 3.545 0 1 FHAF CCCc1ncc2c(n1)-c1cc(F)ccc1-n1cnc(C(=O)OCC)c1C2 1486034 KONLLEVIWMISRR-UHFFFAOYSA-N 366.396 3.502 0 1 FHAF CCn1cc(NC(=O)N[C@H]2CCc3ccccc32)c(=O)c2ccc(C)nc21 6746996 UYEIPAJJRGUQHN-KRWDZBQOSA-N 362.433 3.534 0 1 FHAF Cc1ccc(NC(=O)CCc2c(C)nc3nc(C)nn3c2C)c(Cl)c1 6772688 QJQQAQFRXBBVCD-UHFFFAOYSA-N 357.845 3.583 0 1 FHAF CC12CCCc3cc(NC(=O)c4ccc(C(=O)O)cn4)cc(c31)CCC2 59027710 VTUMXQWPWVSZBF-UHFFFAOYSA-N 350.418 3.962 0 1 FHAF COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CC[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 101217566 VQKLFYFQQYOFJU-KTIPNOMGSA-N 367.537 3.808 0 1 FHAF Cc1ccc([C@@H](c2sc3ncnn3c2O)N2C[C@H](C)C[C@@H](C)C2)cc1 22609262 QSFMLTRNMJEJIR-FMKPAKJESA-N 356.495 3.872 0 1 FHAF CCOC(=O)C1=C(C)N=C2NCCCN2[C@H]1c1cccc(Cl)c1Cl 26744793 OCOSXYWKHYSXFC-HNNXBMFYSA-N 368.264 3.537 0 1 FHAF CC(C)[C@H]1COCCS(=O)(=O)N1Cc1ccccc1-c1ccccc1 61944766 CMVPXSZPOWSMIW-HXUWFJFHSA-N 359.491 3.540 0 3 FHAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC[C@H](c5ccn[nH]5)C4)c23)c1 210759150 UBMJBDJEXHOQAA-INIZCTEOSA-N 369.432 3.604 0 1 FHAF CCc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2)s1 82163042 DSURCGNKIMXLIU-UHFFFAOYSA-N 366.490 3.791 0 1 FHAF COc1ccc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)cc1 40836033 ZSMCLYHFZCTDNX-UHFFFAOYSA-N 360.373 3.871 0 1 FHAF Nc1cc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1 224837104 BOLFSJPRZUAKOH-UHFFFAOYSA-N 374.379 3.696 0 1 FHAF CO/C=C(C(=O)OC)\C(C)=C(/C=C/c1ccc(Cl)c(OC)c1)OC 49070532 YMXFXCLZQAQAGG-WIMKLWOJSA-N 352.814 3.986 0 1 FHAF O=C(Nc1ccc(O)c(C(=O)O)c1)Nc1nc2ccc(Cl)cc2s1 325124935 BDEINOBUSHVBDS-UHFFFAOYSA-N 363.782 3.998 0 1 FHAF CC[C@@H](C)NC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1F 82152548 BCWUGXZHZWJZBS-CQSZACIVSA-N 358.461 3.903 0 1 FHAF Cc1nn(-c2ccccn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565218 OWGIHSZWLIEWRA-UHFFFAOYSA-N 372.831 3.536 0 1 FHAF Cc1ccc(CC(=O)c2cnc(Cl)cn2)cc1[C@@]1(C)CCSC(N)=N1 96172055 FHXZBGGLEHHODZ-GOSISDBHSA-N 374.897 3.531 0 1 FHAF O=C(CCCOc1cccc(Br)c1)Nc1ccnc(F)c1 299864830 MZSYDUYPCZLFGY-UHFFFAOYSA-N 353.191 3.781 0 1 FHAF CC(C)CC(=O)N[C@@H](C)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 299843608 UWWCFJSMEGPLKF-JTQLQIEISA-N 350.802 3.917 0 1 FHAF COc1cc(N2CCN(Cc3cccc(F)c3)C2=O)ccc1-c1cn[nH]c1 653768382 WGEUAXKQYVSRHY-UHFFFAOYSA-N 366.396 3.667 0 1 FHAF C[C@H](O)c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615719 XPFBTCJOHFYGCL-WQFPPAFTSA-N 369.398 3.605 0 1 FHAF COc1cccc(C2(c3nc4nc(Br)c[nH]c-4n3)CCCC2)c1 587932030 UQOBSNZBMIWJJM-UHFFFAOYSA-N 373.254 3.936 0 1 FHAF CCN(CC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587430283 TVVGPPVIPSSTRL-IIBYNOLFSA-N 353.418 3.736 0 1 FHAF C[C@@]1(COC(=O)c2ccccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587511609 QOOORYZBDHPEGZ-QFIPXVFZSA-N 365.429 3.729 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCN(C)CC2)N1 587764896 AIAUNDWEQPSEHD-GTNSWQLSSA-N 355.295 3.679 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Cl)cn1 587552531 SDCHESLLKUZSTM-PBHICJAKSA-N 354.749 3.539 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc3c1OCC3)O2 587370295 DUCSPNWTBMNELP-MRXNPFEDSA-N 374.234 3.981 0 1 FHAF O=S(=O)(Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)C1CCCC1 586924380 PLCNDVLUMANHNO-UHFFFAOYSA-N 370.474 3.999 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)([C@@H]1CCCO1)CC2=O 587491998 VQOSZIGDVWAFRH-FPOVZHCZSA-N 353.418 3.779 0 1 FHAF Cc1c(Br)cnc2[nH]c(C[C@@H]3CCc4occc4C3=O)nc12 586907518 MHBLAGFBQZDNKU-VIFPVBQESA-N 360.211 3.610 0 1 FHAF COc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1F 587113539 MWXMTRXLZDRPMP-LBPRGKRZSA-N 353.319 3.972 0 1 FHAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(F)c(F)c2[nH]1 586983996 MABWJSWVDIIHDV-LLVKDONJSA-N 352.182 3.846 0 1 FHAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(Cl)ncnc2[nH]1 587192539 VIZBWHJNYOSXPT-CYBMUJFWSA-N 373.844 3.963 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn3ccc(Br)cc3n1)O2 587372857 NDQSEGKCXNPJIZ-HNNXBMFYSA-N 372.222 3.694 0 1 FHAF Oc1nc(O)c2ccc(-c3ccc(OCc4ccc(F)cc4)cc3)nc2n1 587369853 QHFUFMWIMYNPPY-UHFFFAOYSA-N 363.348 3.821 0 1 FHAF CN(C)c1cccc(C(=O)N2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c1 11665731 SMSYMPKWUBWWSD-OAHLLOKOSA-N 372.415 3.766 0 3 FHAF Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cccc(OCCO)c2)C1 12749605 VYICTOMZIKPSSD-KRWDZBQOSA-N 359.491 3.523 0 3 FHAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3c(c2)CNCC3)n1 203005197 YZXSAHQTDGGZJC-UHFFFAOYSA-N 361.453 3.518 0 1 FHAF CNC(=O)CO[C@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205709462 KSCFWGSIOOWTPW-INIZCTEOSA-N 350.340 3.517 0 1 FHAF O=C(c1cc(C(F)(F)F)n[nH]1)N(Cc1ccc(O)cc1F)CC1CCC1 103232635 DDRVQSNEKTZLSB-UHFFFAOYSA-N 371.334 3.716 0 1 FHAF C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccs4)cc3)C(=O)[C@H]12 100986799 AZNXRZJKYPNRLK-YLQAJVPDSA-N 367.426 3.669 0 1 FHAF O=C(NCc1ccccc1)c1c(NO)cc(-c2ccc(Cl)cc2)oc1=O 103238520 UUIDVXDGJBHPEN-UHFFFAOYSA-N 370.792 3.691 0 1 FHAF Brc1ccc(COc2ccc3c(c2)-c2nncn2CCO3)cc1 53297757 PBPSFCIEPGRPQH-UHFFFAOYSA-N 372.222 3.679 0 1 FHAF CC(C)(C)CN1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 2356305802 HYSBITGMWBFSHD-ZIAGYGMSSA-N 361.461 3.703 0 1 FHAF O=c1cc(Cn2ccnc2)c2ccc(OCc3ccc(F)c(F)c3)cc2o1 66111621 TUPAPEGOVMHAJY-UHFFFAOYSA-N 368.339 3.895 0 1 FHAF O=C(N[C@H](CO)Cc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 63298339 DPPIQOOVRLCHQC-FQEVSTJZSA-N 366.848 3.735 0 1 FHAF CC(=CCCC1=C[C@H](O)OC1=O)C[C@@H](O)C[C@@H](C)CCCc1ccoc1 2356665306 BJFBZKHHDKIUIC-RYGJVYDSSA-N 362.466 3.908 0 1 FHAF CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1cccc(O)c1 2356693170 AENDLKDNJZSFFY-MXNKGDRCSA-N 355.478 3.792 0 1 FHAF Cc1nc(-c2ncn3c2CN=C(c2ccccc2)c2c(F)cccc2-3)no1 26384010 WHLOZXNIOWYXOG-UHFFFAOYSA-N 359.364 3.721 0 1 FHAF COc1ccc(Cl)cc1CN1C(=O)[C@@H](Cc2ccccc2)ON=C1C 61903804 IPXHNNQSSXILTL-GOSISDBHSA-N 358.825 3.652 0 3 FHAF Cc1cc([C@]2(O)C(=O)Nc3ccc(-c4c(C)noc4C)cc32)ccc1F 219505091 QHWDBJZHCOWLMZ-HXUWFJFHSA-N 352.365 3.594 0 1 FHAF CC1(C)C=Cc2c(O)cc3c(c2O1)[C@H]1Oc2cc4c(cc2[C@H]1CO3)OCO4 13378616 SAYHRUJEFVKWNL-BLVKFPJESA-N 366.369 3.915 0 1 FHAF biogenic COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@@H](c3cc(C)ccc3C)CN1CC2 45368338 ABNNSLREZPBYPJ-NJYVYQBISA-N 366.505 3.735 0 1 FHAF CCn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@H]1CC[C@@H](C2)N1 82153133 FCPDVNONMCOEMG-KBXCAEBGSA-N 366.486 3.843 0 1 FHAF O=C(O)c1cccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1O 95563478 UQPKMXMWFSHRDB-UHFFFAOYSA-N 359.337 3.554 0 1 FHAF C[C@H]1[C@H]2CC[C@@H]3[C@@H]4[C@H](O)C=C5C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@]23CN1C 255225659 LDSAFYKZSKWMNQ-MIHGEYOFSA-N 372.597 3.780 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 254091761 FHWOSRUUSHMKKA-VMENWCDDSA-N 356.466 3.595 0 1 FHAF COC(=O)c1ccc2c(c1)CCCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587399107 IPNVMFLXEYGVHN-QFIPXVFZSA-N 365.429 3.951 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc3ccccn23)N1 587767337 AKMHHPTWZTXYMW-QFYYESIMSA-N 360.230 3.860 0 1 FHAF O=C(O)c1cc(Br)cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586902919 NBUHIDHRPGIAOL-SMDDNHRTSA-N 373.206 3.593 0 1 FHAF CCOc1ccc(OCC)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587443990 XPWGAXCSDJOYKZ-IIBYNOLFSA-N 354.402 3.981 0 1 FHAF Oc1cccc([C@@H](O)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 586891271 OCHARVKPNDQNHZ-CYBMUJFWSA-N 358.703 3.902 0 1 FHAF C=Cc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587591354 VLKYEQLYBKBCOM-DYESRHJHSA-N 362.385 3.944 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587117326 IRMZLVRSQABHJQ-UHFFFAOYSA-N 372.354 3.814 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2ccc(Cl)cc21 587460244 GXXYMASUPYZGBA-FQEVSTJZSA-N 371.820 3.835 0 1 FHAF Cn1cnc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587575250 FBOFJSGAJSRYEP-UGKGYDQZSA-N 372.380 3.982 0 1 FHAF CN1CCN(c2ccc3nc([C@H]4C[C@H]4c4cccc(F)c4F)[nH]c3c2)CC1 587150310 CEQOYVMKASMQHG-HOTGVXAUSA-N 368.431 3.864 0 1 FHAF CN1CCN(c2ccc3nc(CNc4ccccc4Cl)[nH]c3c2)CC1 587061346 DWYDGDMDSGBCTQ-UHFFFAOYSA-N 355.873 3.580 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2cccc(O)c2)N1 587833464 NSYUCQGPZFCIJD-ABKXIKBNSA-N 364.214 3.752 0 1 FHAF CCOC(=O)c1ccc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2c1 587938009 RVGDYEZYQRFGNA-SGTLLEGYSA-N 354.406 3.585 0 1 FHAF O=C(Nc1ccccc1Cl)c1nc2ncc(Br)cc2[nH]1 587060767 URAHGHLUKNBAPQ-UHFFFAOYSA-N 351.591 3.626 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cncc2F)N1 587729757 HOHYMMIRSVCANY-ZIDLFYJRSA-N 357.173 3.885 0 1 FHAF COc1ccc(C[C@H](C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1OC 587926691 NEONMUQWJAFNLH-JTQLQIEISA-N 358.369 3.764 0 1 FHAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc[nH]c(=N)c3[nH]2)c(F)c1 587144376 JRVQPHBTRLJKFH-UHFFFAOYSA-N 362.364 3.850 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCC(C)C)c2ccccc21 587402071 XBHBRLFYYKKSKL-JOCHJYFZSA-N 364.445 3.831 0 1 FHAF CC(C)c1nn(C)c2c1[C@](c1cccnc1)(c1ccc(F)c(F)c1)NCC2 962919591 LGMRBIZYATZSRK-OAQYLSRUSA-N 368.431 3.654 0 1 FHAF Cc1cc([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(C)o1 962628821 FZCJJTKOPFHQBM-SUMWQHHRSA-N 369.339 3.657 0 1 FHAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(CCc3ccccc32)N1 962707697 PYODMQULZYKIBU-FUHWJXTLSA-N 365.326 3.633 0 1 FHAF c1ccc(CCCN[C@H]2CC[C@@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772656374 XAKWMIOCECFCIZ-HDICACEKSA-N 374.492 3.854 0 1 FHAF Cn1c(O)c([C@](C)(Br)Nc2ccccc2)c(=O)c2ccccc21 5530035 OQAMCSRWQLHHJP-GOSISDBHSA-N 373.250 3.924 0 1 FHAF biogenic COC(=O)[C@@]1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1=O)CCC3 5537833 YKSOYPDYFJXGDF-DEOSSOPVSA-N 360.453 3.805 0 3 FHAF COc1ccc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)c(OC)c1 13679236 MVRQJAIGNAEYLC-UHFFFAOYSA-N 364.405 3.863 0 1 FHAF NCc1cccc(NS(=O)(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 1857545688 PHGKJNNJGAPCNU-BQYQJAHWSA-N 356.369 3.577 0 1 FHAF O=C(/C=C/c1ccccc1)OCc1cn(Cc2ccc(Cl)cc2)nn1 1857595185 JYMUXCZLTRHLHC-DHZHZOJOSA-N 353.809 3.736 0 1 FHAF Cc1cc(OCCn2nc(C(=O)O)c3ccccc3c2=O)ccc1C(C)C 3323739 APKCVVVMNGSCSS-UHFFFAOYSA-N 366.417 3.606 0 3 FHAF CCCn1cc(C(=O)NOCC)c(OCc2cccc(C(F)(F)F)c2)n1 103275179 FJNQBYOPZMIYNL-UHFFFAOYSA-N 371.359 3.572 0 1 FHAF Cc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Br 103195128 XPJBOIPYRCQQLR-UHFFFAOYSA-N 364.287 3.719 0 1 FHAF C[C@@]1(C(=O)NCCC(F)(F)F)Cc2c(-c3ccccc3)ccnc2O1 61926675 PDLYTEDCAHVSOW-KRWDZBQOSA-N 350.340 3.511 0 3 FHAF CC(C)COC(=O)n1c2ccccc2c2oc(C(=O)N3CCOCC3)cc21 26378774 NCYSLUOUDJPHJP-UHFFFAOYSA-N 370.405 3.501 0 1 FHAF CN1C[C@@H](CNCCc2c[nH]c3ccc(F)cc23)Oc2cc(Cl)ccc21 28571775 RHAILIIWDRRHNA-MRXNPFEDSA-N 373.859 3.990 0 1 FHAF Cc1cccc(CNC[C@@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)n1 2356705751 CDCCHHNHWRJRJP-GOSISDBHSA-N 368.868 3.596 0 1 FHAF CCc1ccccc1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1 35942284 BKJONPBKARADED-MRXNPFEDSA-N 358.381 3.852 0 1 FHAF CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)cc2)cc1 36476208 QZNNUWUFFBUTIG-UHFFFAOYSA-N 374.444 3.973 0 1 FHAF COc1c(O)cc([C@@H]2COc3cc(O)cc(O)c3C2=O)cc1CC=C(C)C 4716515 GYRNAYOOXNCAQM-HNNXBMFYSA-N 370.401 3.680 0 1 FHAF biogenic Cc1cc2c(nc1C)CCCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1 199725364 RTTVLLOWXOPUAP-UHFFFAOYSA-N 370.396 3.859 0 3 FHAF CC(C)Oc1cccc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 40940545 TYNQYOIULOAOAY-IBGZPJMESA-N 365.385 3.571 0 1 FHAF CC(C)CNc1ncnc2c1nc(CC(C)(C)C)n2CCN1CCCCC1 82178188 LSYJGAJLCVICNX-UHFFFAOYSA-N 372.561 3.969 0 1 FHAF C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C[C@@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 49793106 KKQZGPSOJHPQNX-VOHRMBGLSA-N 360.494 3.713 0 1 FHAF COc1cc(C(=O)NCc2c(F)ccc(C)c2F)ccc1-c1cn[nH]c1 221721652 FCAFTJDYTVBVRW-UHFFFAOYSA-N 357.360 3.602 0 1 FHAF COC(=O)[C@H](CCO)CC[C@H]1C(C)=C[C@@H](O)[C@H]2C(C)(C)CCC[C@@]21C 238774287 VTXPISKEMQUXGD-HUTLKBDOSA-N 352.515 3.708 0 1 FHAF COc1ccc2ccc(=O)oc2c1C1=NN[C@H](c2ccc(SC)cc2)C1 299857381 CSHKOPFPSVEXBH-HNNXBMFYSA-N 366.442 3.962 0 1 FHAF O=C(O)c1cc(C(F)(F)F)cc2nc(C(=O)N3CCCCC3)sc12 653784985 OHSWGNFFCYTJHX-UHFFFAOYSA-N 358.341 3.639 0 1 FHAF CCOC(=O)C[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794791 GQNCSVCUGRGLRB-MGPLVRAMSA-N 358.251 3.681 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(C=O)c2)N1 587820797 FJTOZFGALHARJO-HUTHGQBESA-N 364.214 3.730 0 1 FHAF Cc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 587002098 SRXYGOHOUJAEQO-HYXAFXHYSA-N 372.222 3.970 0 1 FHAF Fc1cc(Br)cnc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587155503 MYQIVAIMVDHQLQ-UHFFFAOYSA-N 372.100 3.848 0 1 FHAF O=C(O)CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350103 HGWYCWLLISDFEI-CTNGQTDRSA-N 370.376 3.904 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(N)cc1)[C@@H](C2)C3=O 587432425 LWJARBZUZGAUSI-CVDCTZTESA-N 357.409 3.969 0 1 FHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(OC)cc(OC)cc3[nH]2)cc1 587787477 VYYBKOQOWFOGFT-HUUCEWRRSA-N 352.390 3.524 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1 586951353 XNNXJYKRIFKLQH-UHFFFAOYSA-N 373.331 3.759 0 1 FHAF COC(=O)C[C@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421052 RHXAJGPKEGPUSL-JLTOFOAXSA-N 372.804 3.555 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(C2CC2)N1 587825819 FPLXHKWBSJYLBD-ABKXIKBNSA-N 356.235 3.593 0 1 FHAF Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587596231 PWGBKTDPTFUJEU-PGRDOPGGSA-N 373.364 3.510 0 1 FHAF Oc1ccc2c(c1)[C@H](c1cn(-c3cccc(Cl)c3Cl)nn1)NCC2 963329080 KUFMEYDOVMVOOY-QGZVFWFLSA-N 361.232 3.515 0 1 FHAF CCn1cc(C(=O)C[C@]2(C(F)F)NCCc3cccc(Cl)c32)c(C)n1 963391617 VRHJWUSMCOIOQS-SFHVURJKSA-N 367.827 3.744 0 1 FHAF c1ccc(-c2cccc3c2[C@@](c2ccccc2)(c2nc[nH]n2)NCC3)cc1 962668661 ONWMLLWTSUCVMR-QHCPKHFHSA-N 352.441 3.909 0 1 FHAF COc1cc2ncnc(Nc3cc(-c4ccc(F)cc4)[nH]n3)c2cc1OC 1772657853 MBDHUNWSWSQSLU-UHFFFAOYSA-N 365.368 3.920 0 1 FHAF CN(CCCCN1C(=O)C(=O)c2ccccc21)Cc1ccc(Cl)cc1 1772571451 VWJKJYRBXMUCPS-UHFFFAOYSA-N 356.853 3.782 0 1 FHAF COC(=O)C1=C(CCc2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 13125902 AUXYBUNVTJIMQY-GOSISDBHSA-N 370.836 3.754 0 3 FHAF O=C(Nc1nc2ccccc2n2cncc12)c1ccccc1Br 13441463 XNIHAMBAAAGVDB-UHFFFAOYSA-N 367.206 3.897 0 1 FHAF C/C=C/c1ccc(O[C@@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 203701695 LBYGDOQPEKTTHN-RVZKHINXSA-N 374.433 3.952 0 1 FHAF CC(C)N1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H](F)C1 1857551356 VNYMKPMXOYCTFQ-ZIAGYGMSSA-N 366.786 3.909 0 1 FHAF C[C@H](O)CO[C@H](C)Cn1cc(-c2cccc(C(N)=S)c2)c2ccccc21 1857614962 ABAQNXPLLZCQAL-LSDHHAIUSA-N 368.502 3.728 0 1 FHAF CC(C)c1nc(-c2ccc(Oc3ccnc(C(=O)N(C)C)c3)cc2)no1 1857753681 UZWQBOJXIQZVGG-UHFFFAOYSA-N 352.394 3.749 0 1 FHAF Cc1cc(O)c(C=O)c(C)c1CC[C@@](C)(O)C=Cc1cc(O)ccc1O 2356454384 KIRQMFOOLNMKGC-NRFANRHFSA-N 356.418 3.630 0 1 FHAF Cc1ccc(CN2[C@H]3CC[C@@H]2CC(Oc2cccc(C(N)=O)c2)C3)s1 58590440 RLHOWHVHHMGIKE-BYICEURKSA-N 356.491 3.730 0 1 FHAF in-vivo O=C1CC2(CCN(CCc3ccccc3)CC2)OC[C@@H]1c1ccc(F)cc1 26295722 ODWYRJRPSGVBPV-OAQYLSRUSA-N 367.464 3.976 0 1 FHAF C[C@@]1(c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)C[C@@H]1CC(=O)O 28648289 QWFBDKQUFNWYSN-JTSKRJEESA-N 366.461 3.814 0 1 FHAF CO[C@@]1(C)CC[C@@H]2[C@H]3[C@H](CC[C@H]2C)[C@@H](C)C(=O)N(Cc2ccccn2)[C@@H]3O1 27557321 AKJBOILCNJVMIB-YVGJMMNCSA-N 372.509 3.838 0 1 FHAF COC(=O)C[C@H](C)c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 13407819 XTKUXKSLSNDPOT-SRVKXCTJSA-N 374.433 3.843 0 1 FHAF biogenic Cc1c(CC(=O)NCc2ccc(F)cc2Cl)cnn1-c1ccccc1 49784788 TWZXJRYARMSHSI-UHFFFAOYSA-N 357.816 3.832 0 1 FHAF CCc1cc(=O)c2ccc(OC)c(COC(=O)c3ccc(F)cc3)c2o1 2382219763 VUJYIOBQQGZOJM-UHFFFAOYSA-N 356.349 3.860 0 1 FHAF O=C(O)C[C@@H]1COc2cc(OCc3cccc(N4CCCC4)c3)ccc21 653724743 IURILXWYCJYPOU-MRXNPFEDSA-N 353.418 3.817 0 1 FHAF Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H](C)c4ccncc4)cc23)ccn1 653852888 BLNCMEUSLQBALM-AWEZNQCLSA-N 357.417 3.819 0 1 FHAF COc1cccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587772528 OFRFFPCEBUEGGI-PSLIRLAXSA-N 351.219 3.615 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2N[C@@H]1C 587482775 JHJVWWJZKUMYFM-XUSGNXJCSA-N 351.402 3.746 0 1 FHAF N=c1ncc(-c2cccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)c[nH]1 587254927 SREYSWYECDVNHE-UHFFFAOYSA-N 371.322 3.998 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nccn3c2)N1 587775630 SNRAJPCTWMHIDM-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1F 587151341 HIHOQLFQABAOGS-HZPDHXFCSA-N 369.415 3.944 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)nn2)N1 587706598 QRHUWMXLKZBIRC-VXJOIVPMSA-N 370.653 3.829 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1ccc(C(=O)O)cc1)O2 587395106 OSLHLTSTLMSHEW-JOCHJYFZSA-N 374.396 3.579 0 1 FHAF Oc1nc(O)c2ccc(-c3ccc(OCc4ccccc4)c(F)c3)nc2n1 587368649 UITNAWZLCZLIRK-UHFFFAOYSA-N 363.348 3.821 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2[nH]ccc12 587586066 BAQLTIZMXSFXFQ-FXAWDEMLSA-N 358.353 3.971 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCCN(C)C)cc1)[C@@H](C2)C3=O 587429596 QCBQQIMKJAQINO-PGRDOPGGSA-N 367.445 3.514 0 1 FHAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCCC1 587395853 OUWPRXJFSOFKFS-NRFANRHFSA-N 366.461 3.888 0 1 FHAF COC(=O)c1ccoc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587829978 RVYPNBDXYKCMED-CLAHSXSESA-N 368.202 3.591 0 1 FHAF C[C@@]1(c2cc(F)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568586 FSOCVDMCHBQEJK-NQIIRXRSSA-N 365.360 3.991 0 1 FHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Cl)cnc3[nH]2)C(F)(F)C1 587132250 OIMURIWKKSCCFU-VIFPVBQESA-N 358.776 3.581 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)O)c2)N1 587824394 BNSFOARJCPRPSG-FVMDXXJSSA-N 364.214 3.910 0 1 FHAF CCOC(=O)[C@@H]1CCCCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442958 RWVVGXJYFXAARM-GCKMJXCFSA-N 358.434 3.715 0 1 FHAF COc1ccc(CCN2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1 51103290 YBWSIMOGOMHTBV-UHFFFAOYSA-N 350.466 3.691 0 1 FHAF Cc1[nH]nc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1Cl 962695875 GFKFZUUBWUASJN-GTNSWQLSSA-N 351.878 3.964 0 1 FHAF Cc1cc2c(cc1O)[C@@](c1ccc(F)c(F)c1)(C1CCC1)N[C@H](C(=O)O)C2 963511034 RRBBRXDRZJDYOF-RXVVDRJESA-N 373.399 3.621 0 1 FHAF C[C@H](Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12)C(F)F 1772582113 OVUKIWHNSTXGOX-MNOVXSKESA-N 374.395 3.906 0 1 FHAF O=C1[C@H](N2CCC[C@@H](c3ccc(O)cc3)C2)CCN1Cc1ccc(F)cc1 1772608955 CVKSVTHKTSNIGJ-WIYYLYMNSA-N 368.452 3.512 0 1 FHAF COc1ccnc(C[S@](=O)c2nc3cc(C(C)(C)C)ccc3[nH]2)c1C 13603886 VGZUFUBQJOBXSZ-RUZDIDTESA-N 357.479 3.880 0 1 FHAF CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccs2)[C@H]2C(=O)CCCC2=N1 169689374 XWRDGGDAECFWSJ-RTBURBONSA-N 356.491 3.942 0 1 FHAF C[C@H](Cn1c(O)cc(=O)n([C@@H]2C[C@@H]3CC[C@@H]2C3)c1=O)c1ccc(Cl)cc1 169729793 QDBPUNLJMKEAQD-GKLJAUDBSA-N 374.868 3.534 0 1 FHAF Cc1cccc(-c2ccc3c(c2)[nH]c(=N)c2[nH]c(CN4CCCC4=O)nc23)c1 1857769996 VQPCAOBWMBFDSL-UHFFFAOYSA-N 371.444 3.621 0 1 FHAF O=C(Nc1ccccn1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2466535 GMINBRNEPLYLJJ-LEWJYISDSA-N 369.424 3.557 0 1 FHAF CC[C@H](C)N1C(=O)CN(C2CCC(C)CC2)C(=O)[C@H]1c1ccc(F)cc1 3038506 OVSYWPLDBYZTPC-UTFARKJXSA-N 360.473 3.915 0 1 FHAF CCCCCNc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](O)CC2)n1 103242192 DBWBCGYTGWUQRF-IYBDPMFKSA-N 355.486 3.856 0 1 FHAF COc1ccc(-c2noc(N[C@H](C)c3ccc4c(c3)OCCO4)n2)cc1 20379274 JSESBSMGUVZTMV-GFCCVEGCSA-N 353.378 3.690 0 1 FHAF C[C@@]1(C(=O)Nc2ccc3[nH]ncc3c2)CCN1C(=O)C/C=C/c1ccccc1 61904740 AHZWJXXUHTUDAZ-PABBZOGXSA-N 374.444 3.596 0 3 FHAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCSCC3)[C@@H]12 28000244 PABWMVGKWJUEBB-UDFCFZJOSA-N 351.556 3.819 0 1 FHAF Cc1ccc(N2CCN(CC[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 29484904 DGIGLEPYWTWABF-FQEVSTJZSA-N 374.912 3.600 0 1 FHAF Cc1cc(C2CC2)c([C@](C)(O)c2nc3ncc(C#N)cc3[nH]2)c2cc[nH]c12 219493264 UEWBFGZWVFPGQW-NRFANRHFSA-N 357.417 3.753 0 1 FHAF CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)c1ccccc1 13460707 ZNTARXPPDIMRSC-SFHVURJKSA-N 350.370 3.732 0 1 FHAF biogenic COc1c2ccoc2nc2c(OC)c(OC[C@@H](O)C(C)(C)Cl)ccc12 138815768 GYELSEKKRALRGC-CYBMUJFWSA-N 365.813 3.755 0 1 FHAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](CC(C)(C)C)C[C@H]4[C@@H](C2)N(C)CC[C@]314 40822243 IKEFFWJSZNGXRT-WBMPXPMFSA-N 369.505 3.596 0 1 FHAF CCCc1n[nH]c2ncnc(N3CCN(c4cc(Cl)ccc4C)CC3)c12 84615822 KFJYAVVIRNQQKI-UHFFFAOYSA-N 370.888 3.594 0 1 FHAF C[C@H]1C/C=C/[C@H]2OC(C)(C)O[C@H]2CC/C=C/c2cc(O)cc(O)c2C(=O)O1 84604607 RATBTQWBKSYHAA-KBNFMYKHSA-N 374.433 3.917 0 1 FHAF CC(C)(C)c1ccc(-c2n[nH]c(SCCCN3CCOCC3)n2)cc1 96934137 LNVUOYRBBZXTTJ-UHFFFAOYSA-N 360.527 3.584 0 1 FHAF CCSc1nc(=O)c2c([nH]1)N=C1CCCC(O)=C1[C@@H]2c1ccc(O)cc1 95481428 XJVFZXIADRSIDM-AWEZNQCLSA-N 369.446 3.802 0 1 FHAF COc1cc(C(=O)OC[C@H]2CCN3CCC[C@]23C)cc(CC=C(C)C)c1O 238739094 IYWSIDKNUJVAFH-XMSQKQJNSA-N 373.493 3.941 0 1 FHAF N=c1[nH]c(-c2cccc(NC(=O)c3ccc[nH]3)c2)cn1Cc1ccccc1 473114647 OATYOSGDXYKIIS-UHFFFAOYSA-N 357.417 3.591 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4[C@H]5CCO[C@H]5CC[C@@]4(C)[C@@H]2CC[C@H]1C3 299812326 RHAGZIUYLFSMDE-GZURHHAVSA-N 362.510 3.702 0 1 FHAF COc1ncc(F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587732592 NEOGSSQORAXDAY-ANRSDYALSA-N 369.209 3.755 0 1 FHAF C[C@H](C(=O)c1coc2ccc(Cl)cc12)N1C(=O)c2ccccc2C1=O 587276795 WJHRKOWIQUMXFR-SNVBAGLBSA-N 353.761 3.954 0 1 FHAF Cc1nn(C)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587754923 FMMAQHSLJJCAOV-XLFHBGCDSA-N 366.278 3.736 0 1 FHAF C[C@@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(N)=O 587511435 PXRVFPDRCKMVEB-XCLFUZPHSA-N 365.429 3.525 0 1 FHAF COc1cc2c3c(c1)OC1(CCC(NC(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587426889 AEKFBJDHOPWQGY-FDTVQSNTSA-N 373.449 3.649 0 1 FHAF COC(=O)Cc1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587783502 TXWPQYBIRGHNKF-UHFFFAOYSA-N 350.296 3.844 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)O2 587395510 NIWYIKKWVOSIBR-UZLBHIALSA-N 360.454 3.558 0 1 FHAF COC(=O)C1(C)CCC2(CC1)c1cccc(Br)c1CCN2C 963281282 RBNUDJMADLVNLU-UHFFFAOYSA-N 366.299 3.886 0 1 FHAF Fc1cccc2c1CCN([C@@H]1CCSC1)C21CCC(n2cnnc2)CC1 962709620 OQWPOCJZRQVJNN-LFDOHDQPSA-N 372.513 3.791 0 1 FHAF Cn1c(=O)n(C)c2cc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)ccc21 962657322 AQXZADGITVJJGQ-QHCPKHFHSA-N 369.468 3.779 0 1 FHAF Nc1ccc(-c2nn3c(COc4ccc(Cl)cc4)nnc3s2)cc1 5933462 IHXLYYIQXFWVCK-UHFFFAOYSA-N 357.826 3.667 0 1 FHAF Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3ccccn3)no2)c1 12435510 FHOFMPOZHAPQSR-UHFFFAOYSA-N 351.406 3.538 0 3 FHAF COc1ccc([C@@H]2C(C)=NO[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 13608703 PITSHMSWSLMUKX-RBUKOAKNSA-N 373.405 3.658 0 1 FHAF CCCCn1c(=O)c2c(c3cc(C(=O)NC4CC4)ccc31)CCCCC2 169328902 NXOOYYXXHUOPEE-UHFFFAOYSA-N 352.478 3.963 0 1 FHAF CC(C)C(C/C=C1\C[C@@](CO)(COC(=O)c2ccccc2)OC1=O)C(C)C 1655266 LBUKYFWZBTXWFE-HPBYZVIZSA-N 374.477 3.766 0 1 FHAF CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc2[nH]ccc2c1 1857632871 SCNOLZVJNNHLFV-UHFFFAOYSA-N 352.825 3.961 0 1 FHAF C1=N[C@H]2[C@@H](N=NN2Cc2ccccc2)C(Sc2nc3ccccc3o2)=N1 1857750035 TTZAXHQGXJNBKA-HZPDHXFCSA-N 362.418 3.938 0 1 FHAF Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)N1CCCCC1 1379124 OBXVSBYUBCOKIZ-UHFFFAOYSA-N 363.870 3.983 0 3 FHAF COc1ccc(-c2cncc3ccc(C(=O)NCc4ccncc4)nc23)cc1 1499084 BFGBYPYCBUGCCL-UHFFFAOYSA-N 370.412 3.630 0 1 FHAF F[C@H]1CN(Cc2c[nH]c3ccccc23)C[C@@H]1OCc1nc2ccccc2[nH]1 2356301703 CLLYXYTWQJMFSF-JXFKEZNVSA-N 364.424 3.783 0 1 FHAF OC[C@H](O)CN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1 103301423 AUDMZPOFDFFVCB-TZRRMPRUSA-N 367.533 3.828 0 1 FHAF Cc1ccc(C)c(NC(=O)c2nc(C)c(C)nc2C(=O)OCC(C)C)c1 103184277 VEJMYBPVSYJYQP-UHFFFAOYSA-N 355.438 3.775 0 1 FHAF COc1ccc(Cl)cc1NC(=O)CCc1ccc(CCC(=O)O)cc1 103299058 YZKHIVQBWOVJLG-UHFFFAOYSA-N 361.825 3.937 0 1 FHAF CCN(CC)CCCNC(=S)Nc1ccnc2cc(Cl)ccc12 28950222 UJOPAWQSCARNIN-UHFFFAOYSA-N 350.919 3.907 0 1 FHAF COc1cc([C@@H]2CN=C(c3ccc4cc(C)cn4c3)O2)cc(OC)c1OC 27524216 LCPHMZROSQWADC-IBGZPJMESA-N 366.417 3.792 0 1 FHAF CC(C)=CCCC(C)=C[C@@H]1C[C@H](C[C@@H]2C(=O)[C@H](O)CC[C@H]2O)[C@](C)(O)C1 2356534362 ARWRGDYUCCALTP-WWFOSYLESA-N 364.526 3.547 0 1 FHAF COc1ccc(C=CC(=O)N2CCCC[C@H]2c2cccnc2)cc1OC 2356687630 VRKHXRURLWDXPX-SFHVURJKSA-N 352.434 3.866 0 1 FHAF I/C=C/CN1CCC[C@@H]2Cc3ccccc3C[C@H]21 36237968 DBFOJAKARGTRKY-DUIXZTDISA-N 353.247 3.815 0 1 FHAF Cc1ccccc1C(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 74378307 JCQAJKFLYWCXSS-XJKSGUPXSA-N 358.800 3.663 0 3 FHAF Nc1n[nH]c2nc(Nc3ccccc3)c3c(c12)CCN(Cc1ccccc1)C3 33544552 QTEUXOQHRNHJMW-UHFFFAOYSA-N 370.460 3.842 0 1 FHAF COc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)cccc2=O)cc1 96930135 IHDKSNOPAFZOLT-UHFFFAOYSA-N 367.401 3.539 0 1 FHAF COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1[C@H]2C)OCO4 31519584 LPKAAKHLNGEZJC-YUNKPMOVSA-N 353.418 3.649 0 1 FHAF biogenic O=C(CCn1sc2cccc(F)c2c1=O)NC12CC3CC(CC(C3)C1)C2 299818927 ARAGOMJLEFVMKN-UHFFFAOYSA-N 374.481 3.677 0 1 FHAF Cc1ccc2c(c1)-c1ccccc1[C@@H]2NC(=O)NC(=O)c1c(O)cccc1O 653808109 LZEKNPLKCBNBTK-FQEVSTJZSA-N 374.396 3.616 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2ccccc12 587868505 NJXUBMYZLGDRMG-UHFFFAOYSA-N 371.322 3.905 0 1 FHAF Nc1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553773 VXPVKBKYNDDNBK-MAUKXSAKSA-N 368.776 3.726 0 1 FHAF OCCCCCCCCCCCc1nc2c(S)nc(S)nc2[nH]1 586895134 QIOXVCFAWNFRGZ-UHFFFAOYSA-N 354.545 3.976 0 1 FHAF Cc1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2n1 587258326 HGOSEJNNETUTMT-KRWDZBQOSA-N 359.433 3.838 0 1 FHAF CCOC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587796982 LHVRRXRGBFHNQH-QGHHPUGFSA-N 370.262 3.681 0 1 FHAF Cc1ccc(-c2[nH]c3cccc(F)c3c2[C@@H](C(=O)O)n2cncn2)cc1 587636398 ZVFKBCSEHMHWGS-SFHVURJKSA-N 350.353 3.548 0 1 FHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(Cl)ccnc2[nH]1 586972560 IGLWSYNHFAPVNT-AWEZNQCLSA-N 360.870 3.722 0 1 FHAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587938038 SDOJENVZSPSMIV-LKFCYVNXSA-N 351.328 3.822 0 1 FHAF Cc1nc(COc2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cs1 587019981 AMSKAIWXKHMLNU-UHFFFAOYSA-N 357.826 3.969 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N)c(Br)c1)[C@@H](C2)C3=O 587413808 QPOLKZHDETWNJC-KPZWWZAWSA-N 374.234 3.703 0 1 FHAF Cc1nc(O)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587850677 DWHCVEZIRINSAO-MLXNANBUSA-N 371.275 3.856 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ncc[nH]1)O2 587379828 XJKFMNXLYJTGRD-IBGZPJMESA-N 353.809 3.863 0 1 FHAF CC(C)=Cc1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@@H]1CCCNC1 1772590864 WVOATLASLUXFNF-SNVBAGLBSA-N 367.280 3.790 0 1 FHAF CNc1nc(CCc2cccc(OC)c2)nc2sc(C(=O)O)c(C)c12 1772646976 LZNPEHCTJRQQHQ-UHFFFAOYSA-N 357.435 3.533 0 1 FHAF CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13677519 GPNABXAHBDYHFE-DOTOQJQBSA-N 354.947 3.633 0 1 FHAF O=C(O)C[C@H](NC(=O)c1cccc(Br)c1)c1ccccc1F 1857630073 KRGNVVOKGCOVFU-AWEZNQCLSA-N 366.186 3.534 0 1 FHAF CCN(C)Cc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1 1857657048 NFQKQSYTVBNZFM-UHFFFAOYSA-N 353.418 3.929 0 1 FHAF COc1ccc(-c2cc(NO)c(C(=O)Nc3ccc(C)cc3)c(=O)o2)cc1 103238527 UZBJNMZYLJCUHX-UHFFFAOYSA-N 366.373 3.677 0 1 FHAF O=C1NC[C@@H](c2ccc(C(F)(F)F)cc2F)N1c1ccc2[nH]cnc2c1 116195089 XVQXSBBZNYESFI-HNNXBMFYSA-N 364.302 3.992 0 1 FHAF CCOC(=O)[C@H]1CCCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 61926461 YRUCZOWKKBOBMA-INIZCTEOSA-N 372.490 3.924 0 3 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4C5=C(CC[C@@]4(C)[C@@H]2CC[C@@H]1C3)OCC5 29207524 PFBDJHPYAAHUPA-ZOHHHXSYSA-N 360.494 3.972 0 1 FHAF CC1=C[C@@H]([C@@H]2c3ccccc3CCN2C(=O)OCc2ccccc2)OC1=O 26574293 JTCWLFQDWNOMTP-PMACEKPBSA-N 363.413 3.794 0 1 FHAF NC(=O)c1ccccc1Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 1911575430 GWVVLRBXRWFRKV-UHFFFAOYSA-N 369.428 3.836 0 1 FHAF COc1ccc(C(c2ccccc2)(c2ccccc2)N2CCNCC2)cc1 84742241 XDTCGJXJVTXUAD-UHFFFAOYSA-N 358.485 3.892 0 1 FHAF COc1ccc(CCc2nnc(-c3ccc4[nH]cnc4c3)s2)c(OC)c1 96283012 SXILLCHHGXYXGH-UHFFFAOYSA-N 366.446 3.884 0 1 FHAF CCC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 377836343 UXOGSAUVADPQTP-UHFFFAOYSA-N 356.107 3.711 0 1 FHAF COc1c(O)cc2c(c1O)-c1c(cc(O)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2 49115041 QYQSXKXUFGOXIF-WDEREUQCSA-N 374.433 3.867 0 1 FHAF biogenic O=C1Nc2ccc(Br)cc2[C@@]12Nc1ccccc1-n1cccc12 653693457 SYIBGNNZGQLMTD-SFHVURJKSA-N 366.218 3.861 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC)c2ccccc21 587490525 XUUAJPCEDPASRG-OAQYLSRUSA-N 351.402 3.572 0 1 FHAF COCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587586171 HWZIEIIQTAAZRZ-RXVVDRJESA-N 363.369 3.637 0 1 FHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnccc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239372 JQQPGYHBFXYJTG-URFZZILJSA-N 372.469 3.513 0 1 FHAF COc1cccc(CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587930055 CTWYBRAKPQHTGF-UHFFFAOYSA-N 356.735 3.771 0 1 FHAF N[C@@]1(c2nc3cc(F)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587156804 QCRIMUYAFOLMLN-HWPZZCPQSA-N 364.193 3.945 0 1 FHAF Cc1c(Cl)ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587006026 FTQIJOSLLGZOBM-UHFFFAOYSA-N 362.618 3.997 0 1 FHAF O=C(O)c1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587611104 FJVKEJFKQWQHLG-MAUKXSAKSA-N 368.366 3.855 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CCc1ccc(O)c(OC)c1)[C@@H](C2)C3=O 587443005 NRAZUQAALGJRHO-YCRPNKLZSA-N 354.402 3.548 0 1 FHAF CCCCC[C@@]1(c2cn(C)nc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430740 GOMKNOYIDBIQAY-IIBYNOLFSA-N 354.450 3.960 0 1 FHAF COC(=O)Cc1cc(OC)n(-c2ccc(O)c(-c3ccccc3)c2)c1OC 587925439 HTPRERVBNDAPDB-UHFFFAOYSA-N 367.401 3.583 0 1 FHAF CC(C)COc1cccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587651547 AXVTVYZYOOPBLN-UHFFFAOYSA-N 356.809 3.773 0 1 FHAF CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cccc(F)c12 587633489 DVFROOQMJBOYJC-UHFFFAOYSA-N 358.316 3.791 0 1 FHAF O=N[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587570915 JSJSKOLODJDPOW-XQBPLPMBSA-N 373.364 3.940 0 1 FHAF Cc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587775210 PRFYBOQFJFOQRM-BCTVWOGZSA-N 353.235 3.991 0 1 FHAF Cc1cccc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591443 CLLVLGXJJADGCG-VGSWGCGISA-N 373.364 3.510 0 1 FHAF Nc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n[nH]c2c1 587592458 HDWOGLJXAPYMRT-UWJYYQICSA-N 373.368 3.554 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OC1CCOCC1)[C@@H](C2)C3=O 587454936 ZNWZECWFCDNNQJ-JTSKRJEESA-N 366.413 3.742 0 1 FHAF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@@H]1OCc1ccccc1 5963929 NFLMCGZVUQHVLD-QUCCMNQESA-N 352.386 3.583 0 1 FHAF COc1ccc(CC2(CO)CCN([C@H](C)COc3ccccc3)CC2)cc1 12750363 KIUJEASPRLEBRK-LJQANCHMSA-N 369.505 3.780 0 3 FHAF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C[C@@]12O 14615430 AFPPVJHFFGBKOB-MJRYQETHSA-N 372.461 3.695 0 1 FHAF endogenous,in-man Cc1ccc(C2=Nn3c(nnc3-c3cc4ccccc4oc3=O)SC2)cc1 1857560131 XPNRDBHJJPZTDK-UHFFFAOYSA-N 374.425 3.718 0 1 FHAF COc1ccc(CC[C@@H]([C@@H](O)C(F)(F)F)[S@](=O)c2ccccc2)cc1 6372957 WTVZSKVJOOZHOZ-QLODZENZSA-N 372.408 3.727 0 1 FHAF Clc1ccc(-c2cnc3n2C[C@@H](CNCc2ccccc2)OC3)cc1 2356298962 MYDNASZYUCTTMH-GOSISDBHSA-N 353.853 3.892 0 1 FHAF Cc1cc(C)cc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)c1 101283154 JODOZENFAQJYNC-RTBURBONSA-N 355.482 3.747 0 1 FHAF C[C@@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccccc1Br 101762624 ASLDMDSWKLKXET-AGIUHOORSA-N 352.272 3.721 0 1 FHAF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)[C@H](O)CC2)cc1 29571210 JOWKIRVQELRPBY-QGZVFWFLSA-N 356.418 3.787 0 1 FHAF COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]n2)cc1OC 28469032 ZAGKJIYNPSIMRS-UHFFFAOYSA-N 370.405 3.787 0 1 FHAF O=C([C@@H](O)C1CC1)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 36184647 FHIRATRLDJRXHH-PMACEKPBSA-N 355.384 3.703 0 1 FHAF CCOc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 72118788 CUOMLJVONIQKJO-HNNXBMFYSA-N 353.418 3.575 0 1 FHAF CN(C)C1CSC(C(=O)c2ccccc2)(C(=O)c2ccccc2)SC1 34069491 CLYHYWMWZOPDJC-UHFFFAOYSA-N 371.527 3.859 0 1 FHAF CC(=O)[C@H](C)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101541 CKIZKPAUEJIIQZ-BTYIYWSLSA-N 371.912 3.856 0 1 FHAF O=C1C[C@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)C(=O)N1 45337126 RGFNPCCTJCQSLV-NSHDSACASA-N 350.201 3.991 0 1 FHAF CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1 49089194 VXDULNMFVNRQBT-KBPBESRZSA-N 373.382 3.536 0 1 FHAF CCO[C@@H](Cc1cccc(C2=NO[C@H](CCc3ccccc3)C2)c1)C(=O)O 45483999 HAMXNMHJIWXEJM-CTNGQTDRSA-N 367.445 3.845 0 1 FHAF CCC(CC)c1nc2c(NCc3ccccc3)ncnc2n1CCOC 82178676 FRGGMCNEBNXBLM-UHFFFAOYSA-N 353.470 3.988 0 1 FHAF COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1[C@@]21N=C(N)N(C)O1 140724582 NKVLGUSRQMKUPI-UDJZJCJKSA-N 371.525 3.751 0 1 FHAF COc1cccc(OC)c1-c1cnnc(NCc2ccc3ccccc3n2)n1 95583306 PQDBYDVELLOJNB-UHFFFAOYSA-N 373.416 3.716 0 1 FHAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@H]([C@H](C)C(=O)NC1CCCC1)C2 25206699 PDEJFNCQEJWTPK-HOCLYGCPSA-N 373.493 3.567 0 1 FHAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(OC(F)(F)F)c1)O2 587381677 HVHTULVBJCXOAB-AWEZNQCLSA-N 353.296 3.888 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCSCC3)cc1)O2 587414370 MBHVSANOZQXRKY-IBGZPJMESA-N 354.475 3.837 0 1 FHAF Ic1cnc2[nH]c(-c3ccoc3C3CC3)nc2c1 586902370 YMZULHOLYGUBLZ-UHFFFAOYSA-N 351.147 3.700 0 1 FHAF Nc1ccc(-c2ccc3nc([C@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)cc1N 587158891 YPLDLQRIDMJLBO-QRQCRPRQSA-N 373.435 3.875 0 1 FHAF O=C1C[C@]2(CCS(=O)(=O)c3ccccc32)Oc2c1ccc1c2CCCC1 587531152 JXXJSWBUINHZQQ-NRFANRHFSA-N 368.454 3.604 0 1 FHAF NC(=O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587514660 HWHAVGWFMIDNON-OAQYLSRUSA-N 374.440 3.712 0 1 FHAF Oc1nc(O)c2cc(Cc3cccc(SC(F)(F)F)c3)cnc2n1 587368218 KFTLOYZFILDODB-UHFFFAOYSA-N 353.325 3.639 0 1 FHAF COc1ncc(F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587732594 NEOGSSQORAXDAY-AYVTZFPOSA-N 369.209 3.755 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CCC[C@@H]3C2)N1 587793621 RQEKRUFAPZBCOE-CJBNDPTMSA-N 353.279 3.576 0 1 FHAF CCOC(=O)[C@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)CO1 587100655 DUYPNVUXLDVNSX-GOSISDBHSA-N 373.408 3.759 0 1 FHAF Cc1ccccc1COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587558834 CWJWMRXJPUUPGC-UHFFFAOYSA-N 359.385 3.990 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 587229447 ATWKKFMSFVKWJG-VHSXEESVSA-N 371.815 3.531 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(C=O)c1Br)[C@@H](C2)C3=O 587411576 DXMVVZZFWVTEEG-SCLBCKFNSA-N 373.202 3.759 0 1 FHAF CCOC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347031 KPJUUFRVDBEUQS-TZIWHRDSSA-N 372.392 3.992 0 1 FHAF C[C@@H]1N=C(c2ccccc2Br)Nc2nc3ccccn3c2C1=O 1772649221 CATATAJLGURYKR-JTQLQIEISA-N 369.222 3.540 0 1 FHAF O=C(C[S@](=O)CCCCc1ccccc1)c1ncc(-c2ccccn2)o1 14980029 GITGCQFUAIHBAT-SANMLTNESA-N 368.458 3.691 0 1 FHAF CCOc1ccccc1NC(=O)[C@@H]1C(C)=NC(=S)N[C@@H]1c1cccs1 169689672 OUHVJPNDVBKZNQ-HZPDHXFCSA-N 373.503 3.792 0 1 FHAF C[S@@](=O)CCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 205055071 UOSFMIJOOFCUID-AREMUKBSSA-N 369.446 3.680 0 1 FHAF COC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc(OC)c(OC)cc1OC 1857565200 LPAMYFKYPDREIL-INIZCTEOSA-N 370.405 3.630 0 1 FHAF CN(C)C(=O)Cn1ccc2ncc(-c3ccc(C(F)(F)F)s3)cc21 1857587011 LPFCXGVNLRXWCM-UHFFFAOYSA-N 353.369 3.872 0 1 FHAF Cc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1 1857599279 RSTIJUIBDSTMMW-UHFFFAOYSA-N 363.465 3.982 0 1 FHAF COC(=O)c1c2c(cc3c1C[C@@]1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2 6385166 JYSSUGUBXSEPIN-VWLOTQADSA-N 372.464 3.975 0 1 FHAF O=C(Nc1ccccc1)c1[nH]c2cc(F)ccc2c1[C@H]1CNCC[C@H]1F 29348295 WSWLUEDPQUZWSK-JKSUJKDBSA-N 355.388 3.974 0 1 FHAF Cc1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5cccnc5)C[C@@H]3N4)cc2)c1 100106705 LOPIAGQZPHWYTB-UBRQYEGLSA-N 355.485 3.997 0 1 FHAF COc1ccc2nc(C[C@H]3CN(CC(C)(C)C)CC[C@@H]3CC(=O)O)[nH]c2c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c2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1 34659756 ADVSMVQOVMSWJJ-UHFFFAOYSA-N 361.873 3.556 0 1 FHAF CCN1CCc2cc(C3=CC4(CCNCC4)Oc4ccccc43)ccc2C1=O 43023029 SXIIMAFNJUWZKS-UHFFFAOYSA-N 374.484 3.651 0 1 FHAF Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NC1CC(F)C1 1911575703 GCSYUUXXZYLDJJ-UHFFFAOYSA-N 355.335 3.558 0 1 FHAF CCCOc1cc2c[n+]3c(cc2cc1OC)-c1cc2c(cc1CC3)OCO2 40917891 RJFGIZULENNNRA-UHFFFAOYSA-N 364.421 3.877 0 1 FHAF COc1ccccc1C(=O)NC(=O)NC1c2ccccc2-c2ccccc21 43066238 XEDUKUGJNCRJEZ-UHFFFAOYSA-N 358.397 3.905 0 1 FHAF CCCN(C)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 40914236 GBEZKWUKEOIOHP-UHFFFAOYSA-N 369.469 3.580 0 1 FHAF CCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN 149668252 CZDSYRQPDXITSP-UHFFFAOYSA-N 363.461 3.567 0 1 FHAF C[C@H]1CC=C(c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)CC1 148950269 PQKQEKLALZXTJD-RCDICMHDSA-N 368.477 3.618 0 1 FHAF COc1cc(O)c(-c2cc(O)ccc2O)c(CCc2cccc(O)c2)c1 238789813 OUOMFGBSQOVKIP-UHFFFAOYSA-N 352.386 3.970 0 1 FHAF CCCCNc1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1 145980233 FCXILOVRZPRHGB-UHFFFAOYSA-N 350.406 3.606 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(O)c3)cc2)C[C@H]2CC[C@H]1N2C 253634655 TTXGYEDMFZIQNY-CWJKEVGVSA-N 351.446 3.799 0 1 FHAF C[C@@H](O)c1cccc(-n2ncc3c(NCCc4ccccc4)ncnc32)c1 621477295 AQVMTYCGGKFYCW-OAHLLOKOSA-N 359.433 3.523 0 1 FHAF CN1CCN(c2nc3ccc(Cl)cc3c3c2C(=O)c2ccccc2-3)CC1 299818737 AGCXPKZUFCUFPE-UHFFFAOYSA-N 363.848 3.851 0 1 FHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587080983 WFBUJSNOWPQPJO-CYBMUJFWSA-N 372.787 3.777 0 1 FHAF COc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587772437 NVJURPZQWRXLBX-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF Cc1nc2ccccc2c(Cl)c1CCc1ccc2c(O)nc(O)nc2n1 587368861 QEDBDERWQDIKCZ-UHFFFAOYSA-N 366.808 3.731 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)O)o2)N1 587825911 BYMHOHYOYBEMIT-BCTVWOGZSA-N 368.202 3.677 0 1 FHAF C[C@H]1CN(C(C)(C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)O1 587511943 AXRLEVHAJNMORU-MDOVXXIYSA-N 357.494 3.787 0 1 FHAF C[C@@H](O)c1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)s1 587021434 IDRVTTJDXXSOSZ-SCSAIBSYSA-N 359.636 3.551 0 1 FHAF O=C(c1cccc(Br)c1)n1ncc2ccc(Cl)cc2c1=O 587650910 HJGMSYVJMNWNRV-UHFFFAOYSA-N 363.598 3.501 0 1 FHAF COC(=O)c1cc2nc([C@H]3CCOC3)[nH]c2c(F)c1Nc1ccccc1 586911630 JSXZOMGNGCBENB-NSHDSACASA-N 355.369 3.736 0 1 FHAF Fc1cc2c(c(Cc3nc4c(Cl)c(Cl)cnc4[nH]3)c1)OCOC2 587170816 FGYULEHXPLUOBL-UHFFFAOYSA-N 354.168 3.861 0 1 FHAF Cn1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C(F)F 587554417 IBKRVZXPUUPIGA-KDOFPFPSSA-N 372.327 3.766 0 1 FHAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cnncc2[nH]1 586981701 TUWUSBOLJYVGGQ-UHFFFAOYSA-N 354.211 3.882 0 1 FHAF Cc1ccccc1-c1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O 587944264 DBPKOARJSKXVOC-UHFFFAOYSA-N 368.412 3.783 0 1 FHAF C[C@@]1(c2ccnc(Cl)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553891 WKUOGGMZXFXDPF-KXBFYZLASA-N 368.776 3.713 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(C(F)(F)F)nc1)CC2=O 587464220 LTVZOMKCUGPFCQ-CQSZACIVSA-N 352.312 3.860 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCOCC(=O)O 169316729 IXVUMDZQWOPTHA-LUXMMRJESA-N 354.487 3.741 0 1 FHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc(F)ccn2)N1 963189560 WYOAOPOACZWYIV-SMDDNHRTSA-N 374.721 3.581 0 1 FHAF Oc1ccc2c(c1)OC=C(Oc1ccccc1)[C@]21NCCc2ccc(O)cc21 963353760 SLUNPHMZAALVKQ-QHCPKHFHSA-N 373.408 3.800 0 1 FHAF CC(C)=C1Oc2c(ccc(O)c2C)[C@@]12c1ccsc1CCN2C(N)=O 962712037 NCPUEMARRZOIET-IBGZPJMESA-N 356.447 3.629 0 1 FHAF CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@@H](CC)C(=O)c1c(C)cc(C)cc1C 13137065 AUGICTWZDMWTJI-NJAFHUGGSA-N 374.477 3.952 0 1 FHAF COc1ccc(-c2ocnc2-c2cc(OC)c(OC)c(OC)c2)cc1O 13473129 IORWTZSITGORCZ-UHFFFAOYSA-N 357.362 3.749 0 1 FHAF CC1=CS[C@](OCC(C)C)(c2ccc(Cl)cc2)c2noc(=O)n21 13475277 NUKJMDCJFLMBDA-MRXNPFEDSA-N 352.843 3.929 0 1 FHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@H](OCCCN1CCOCC1)CC2 169322585 LXBJSSDJAGOMTP-FQEVSTJZSA-N 356.466 3.685 0 1 FHAF C[C@@H]1CCCN1CCCOc1ccc(C2=NN(C)C(=O)[C@@H]3CCC[C@@H]23)cc1 169351785 GKEPUTPZCYQUOQ-NSISKUIASA-N 369.509 3.532 0 1 FHAF CSc1ccc(CCNc2ncnc3c2nc2n3CCCCC2)cc1 6932872 JVAYIMLFLOPPHW-UHFFFAOYSA-N 353.495 3.929 0 1 FHAF CC1=Nc2nnnn2[C@H](c2cccc(F)c2)/C1=C(\O)OC1CCCCC1 104115590 GUMSXYJEZCESMV-IBOXJLQUSA-N 357.389 3.627 0 1 FHAF Nc1nccn2c1c(-c1cc3ccccc3[nH]1)nc2[C@H]1CC[C@H](CO)CC1 102842033 SWLHPLRGXVTIIY-OKILXGFUSA-N 361.449 3.726 0 1 FHAF CC=C(C)[C@@H]1O[C@](O)([C@@H]2C[C@H](CC(C)C)NC2=O)C[C@@H]2CC=C(C)C[C@@H]21 2356395988 ZQVUGTNCXDEQJP-PJPUYHCJSA-N 361.526 3.953 0 1 FHAF C[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1cccc(N2CCOCC2)c1 26724026 WMUNOHGOWCQNJA-JCVNQNCUSA-N 354.425 3.553 0 1 FHAF Cn1c(C(=O)NN2CCCCC2)nc(-c2ccccc2)c1-c1ccccc1 28135079 JRZYIQYONIPUER-UHFFFAOYSA-N 360.461 3.885 0 1 FHAF CC[C@@H]1C=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 2356475131 QBUNWYIRJPTIPL-KBFNWFKYSA-N 364.482 3.549 0 1 FHAF O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1 63540349 MMSSKRQVKABMNA-UHFFFAOYSA-N 365.351 3.801 0 1 FHAF COc1cc2oc(-c3cc(OC)c(OC)c(OC)c3)cc(=O)c2cc1OC 2382411 PKNYLIKZEGFYRC-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF biogenic Cc1cccc(C(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1 74377945 NPVJUHMKSVXSRB-BBRMVZONSA-N 358.800 3.663 0 3 FHAF CCSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1 72111218 VMQIKSUBUKPMBA-UHFFFAOYSA-N 357.468 3.740 0 1 FHAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 73197735 YTVMTFVGGYZGKB-UHFFFAOYSA-N 371.334 3.924 0 1 FHAF Cc1nc(-c2cnc(N3CCOCC3)nc2-c2ccccc2)sc1C 82162888 ZWYBBZBRZSNBKJ-UHFFFAOYSA-N 352.463 3.721 0 1 FHAF CCN(C)c1ncc(C(=O)NCc2ccccc2)c(-c2ccccc2F)n1 82152775 NVQIJRZOGLNKHU-UHFFFAOYSA-N 364.424 3.669 0 1 FHAF N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3ccco3)c2=O)c1 25235650 MLNBEQOQESJICY-MOPGFXCFSA-N 371.440 3.599 0 1 FHAF biogenic CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[C@H](c2ccc(O)cc2)CC1 253658878 ATVUKKUJMJBVML-VCOUNFBDSA-N 366.505 3.708 0 1 FHAF C[C@@H]1Cc2c([nH]c3ccc(O)cc23)[C@@H](c2ccc(Cl)cc2)N1CCO 473119885 NFYZDYJVMPMJMA-MPBGBICISA-N 356.853 3.855 0 1 FHAF CCCCCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587401107 SLWAHOIOAJCQSV-QFIPXVFZSA-N 364.445 3.975 0 1 FHAF CCN1CCC([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587772338 ZYSVVRUGGUWHSU-PIGZYNQJSA-N 355.295 3.895 0 1 FHAF CCCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587758783 JMKUPLRZIHQBEX-QFYYESIMSA-N 352.251 3.818 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccn([C@H]3CCCCO3)n1)CC2=O 587476932 SEFSDCRVDASZPB-RTBURBONSA-N 356.422 3.947 0 1 FHAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)CC 587399471 KCIMTQVJIZIPCY-SFHVURJKSA-N 369.417 3.998 0 1 FHAF Fc1c(Cl)cc2nc(CSc3nnc(S)s3)[nH]c2c1F 587024867 FVESXENVBFQJDT-UHFFFAOYSA-N 350.828 3.927 0 1 FHAF CCOC(=O)[C@H]1C(=O)Cc2nc3cccc4c3c(c2[C@H]1c1ccccc1)CC4 587212029 OBVAKCKWWJSWSX-GGAORHGYSA-N 371.436 3.770 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@H]2CCCCN2)N1 587799833 ZAYVDTMPWADMKY-CJBNDPTMSA-N 355.295 3.870 0 1 FHAF COC1=C(C)OC=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587829916 CYEYODFAEAYNSV-XXFAHNHDSA-N 354.219 3.740 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)cn2)N1 587707442 VSXHANOHDWUCMD-JKYUHCHBSA-N 356.626 3.655 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](COCc1ccc(OC)cc1)CC2=O 587479153 KNDHYAFYTGAEAE-MRXNPFEDSA-N 356.418 3.904 0 1 FHAF CC[C@H](C)Sc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587450249 SGBVNDSMFSCNAQ-DGVXXNCNSA-N 356.447 3.865 0 1 FHAF C[C@@H](F)[C@H](N)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587122819 GVDYSYFLDKSMJL-MOFOKWOHSA-N 356.117 3.582 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(C(=O)O)[nH]c4ccc(F)cc14)[C@@H](C2)C3=O 587427224 HUXNEDHXQNCTPK-HXPMCKFVSA-N 367.332 3.503 0 1 FHAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587039014 DMMRVLZQLZUICB-JTQLQIEISA-N 374.388 3.959 0 1 FHAF Nc1nc(Cl)c([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)s1 962701682 LMAVVELDAANPTO-NOZJJQNGSA-N 369.918 3.971 0 1 FHAF NC[C@@]1(c2c(F)cccc2F)NCCc2cccc(-c3ccccc3)c21 962657529 BWTBOTPOGNUSIF-JOCHJYFZSA-N 350.412 3.980 0 1 FHAF CCSc1nnc(NC(=O)[C@@H](Cc2ccccc2)n2cccc2)s1 5055398 LCUZPZKEROTJSU-CQSZACIVSA-N 358.492 3.874 0 3 FHAF aggregator COc1cc2[nH]c(-c3ccc4c(c3)[C@@H](O)CC4)cc(=O)c2cc1-c1cnco1 12354273 FLGZEQZDTOBPEG-IBGZPJMESA-N 374.396 3.838 0 1 FHAF N=C(C[C@H](c1ccc(Cl)cc1)c1ccccn1)NCCc1c[nH]cn1 13490254 LUDPNDHEIUSERM-QGZVFWFLSA-N 353.857 3.790 0 1 FHAF CCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 5524081 MZAHTFRWCPFQFD-KHBONWNZSA-N 368.514 3.865 0 1 FHAF COc1cc(-n2c(C(C)C)nc3cc(C(=O)O)ccc32)cc(OC)c1O 1857568677 DHMISXSMCMSECB-UHFFFAOYSA-N 356.378 3.570 0 1 FHAF COc1ccc(-c2cc(-c3ccc(F)cc3)nc(N3CCOCC3)n2)cc1 791418 LMRNMFRMXNAOQU-UHFFFAOYSA-N 365.408 3.795 0 1 FHAF CC1(C)Oc2ccc3c(=O)cc(-c4ccc(F)cc4)oc3c2[C@H]1C(=O)O 1648797 BNXPSWIKHDGCLZ-KRWDZBQOSA-N 354.333 3.938 0 1 FHAF Cc1cc(NC(=O)C2CC2)ncc1NC(=O)C12CC3CC(CC(C3)C1)C2 4083428 TZXDHHUMRKIWNV-UHFFFAOYSA-N 353.466 3.893 0 3 FHAF 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)CC[C@]12O 6183976 XZTUSOXSLKTKJQ-CTZIAKJASA-N 374.521 3.604 0 1 FHAF COc1cc2c(cc1-c1cc3cc4ccoc4c(OC)c3oc1=O)OCO2 14635686 SUNDAONUHLDQBY-UHFFFAOYSA-N 366.325 3.952 0 1 FHAF biogenic COCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 73224824 BPPADGBWXFDIBT-QGZVFWFLSA-N 373.518 3.758 0 1 FHAF CN(C)C[C@H]1CCCC[C@@]1(O)c1cccc(OC(=O)c2ccccc2O)c1 34034064 OLXCPJRIWXIFTH-VGOFRKELSA-N 369.461 3.551 0 1 FHAF CCC(=O)NCCCc1cc(OC)ccc1OCc1cccc(OC)c1 95585406 FPWCECQCQIIXNN-UHFFFAOYSA-N 357.450 3.742 0 1 FHAF Cc1cc(Oc2cc(C3CC3)ccn2)ccc1-c1c(C)c(O)nc(=O)n1C 261105801 HKLDEBNOMBAWRJ-UHFFFAOYSA-N 363.417 3.834 0 1 FHAF Cc1ccc2nc(-c3cccnc3)c(NCc3ccc(NC(=N)N)cc3)n2c1 653801247 DJKPYVPKWSSFLS-UHFFFAOYSA-N 371.448 3.622 0 1 FHAF Fc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1F 587119585 FIEGPXCBBBKNJI-UHFFFAOYSA-N 356.298 3.984 0 1 FHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc(F)c3[nH]2)cc1 587245258 RSBHWCASFHPDTP-UHFFFAOYSA-N 350.353 3.842 0 1 FHAF O=C(Nc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1)C1CC1 587873782 MJBJCQXWVLZERU-UHFFFAOYSA-N 363.348 3.832 0 1 FHAF CC[C@H](C(=O)OC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812372 YTSZTCZYXQQDDU-ZXLZKYRFSA-N 358.251 3.537 0 1 FHAF CCOC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2c(C(=O)O)cccc12 587638864 RPBOUWJWPAZVIK-UHFFFAOYSA-N 371.776 3.932 0 1 FHAF COCCn1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587754433 MBWNLESYXSHALE-GTNSWQLSSA-N 367.262 3.660 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2cc(F)c(F)cc2[nH]1)C[C@@H]1CCCO1 587197842 VHYJGXPDHUQQCP-NSHDSACASA-N 367.396 3.757 0 1 FHAF CC(C)Oc1cc2[nH]c(/C=C/C=C\C(=O)O)nc2cc1Br 587965694 OUYNLZYHACMNPA-UZNMPDEFSA-N 351.200 3.767 0 1 FHAF COC(=O)CCC[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 587413837 PTRCRHNHOGUHNR-LJQANCHMSA-N 359.447 3.843 0 1 FHAF O=C(O)CCc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O 587946363 WQZAONRUEGVTJQ-UHFFFAOYSA-N 359.328 3.851 0 1 FHAF CCOc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587616320 BPQVWOFQUHQYHY-CRAIPNDOSA-N 369.398 3.950 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc3cc(C=O)sc3s1)NCC2 962920649 CILZGKJEBSGSSH-KRWDZBQOSA-N 370.499 3.712 0 1 FHAF CO[C@H]1C[C@H]2C[C@H]3c4c(c5cc(O)ccc5n4C=C2[C@@H](C)O1)CCN3C 5141583 DWIQQWDWFBHSLB-HBCXDPBJSA-N 354.450 3.518 0 1 FHAF CCCCCC(=O)NCCCNCCC[C@@H]1CC(=O)c2c(C)cccc2O1 13360707 KBVGJONBHUCZBU-GOSISDBHSA-N 374.525 3.785 0 1 FHAF biogenic Clc1ccc2c(NCCOc3ccc(C4=NCCN4)cc3)ccnc2c1 1857538571 WOKBJPYMHWHYCR-UHFFFAOYSA-N 366.852 3.729 0 1 FHAF Cc1ccccc1[C@H]1c2ccsc2CCN1C(=O)CNCc1ccco1 4782079 XDTYBZGSPHDVSF-NRFANRHFSA-N 366.486 3.913 0 1 FHAF CN(C)CCCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21 2038065 ZREXWFCZCPEJID-UHFFFAOYSA-N 373.859 3.615 0 1 FHAF O=C(CCc1nc2cccnc2n1-c1ccccc1)N1CCc2ccccc21 6737632 MBYMGYJUJRZJMS-UHFFFAOYSA-N 368.440 3.942 0 1 FHAF COc1cc(OC)c(C(=O)c2ccccc2F)c(O)c1Br 103201762 AWQFYWYWEJFPCP-UHFFFAOYSA-N 355.159 3.542 0 1 FHAF O=C(O)C[C@H]1CCN(C2CCCCC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356382103 MZABUSPAVFEZKI-CABCVRRESA-N 373.472 3.990 0 1 FHAF COC[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1 116232321 GCWKGSYISCSWKX-MRXNPFEDSA-N 363.417 3.610 0 1 FHAF O=C1CCC[C@]2(c3ccccc3)O[C@H](COc3ccc(Cl)cc3)CN12 27522663 WEYMNWQFPNPNLA-AZUAARDMSA-N 357.837 3.983 0 1 FHAF CCOc1ccccc1O[C@H](CCN1CCN(C)CC1)c1ccccc1 22459454 MUZUHEGUCNOBRX-HXUWFJFHSA-N 354.494 3.843 0 1 FHAF CC1CCC(C(=O)N[C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C(C)C)CC1 20116058 QKQYGRICRFJSOM-JUZYHDPESA-N 350.547 3.894 0 1 FHAF COc1c(OC)c2c(=O)cc(-c3ccc4c(c3)OCO4)oc2c2ccoc12 13376252 QXAPPJWRWBYNHA-UHFFFAOYSA-N 366.325 3.952 0 1 FHAF biogenic CCCC[C@H](/C=C1/C[C@@](CO)(COC(=O)c2ccccc2)OC1=O)CC 40896052 FHHQZFCFVOYPNH-RGRWXVMTSA-N 360.450 3.664 0 1 FHAF CCOc1cccc(-c2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)c1 96906571 OIXKIOXZFPDZFR-OALUTQOASA-N 361.445 3.699 0 1 FHAF O=C(N[C@H]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1)c1cccc(Cl)c1 95591454 YLQJLHCKRNGVIP-ZWKOTPCHSA-N 374.843 3.950 0 1 FHAF C[C@@]1(c2cc(Cc3ncc4ccccn34)ccc2F)CCSC(N)=N1 96172068 PRZVEVGUNYCAAD-IBGZPJMESA-N 354.454 3.731 0 1 FHAF COCc1ccnc(NC(=O)Nc2cccc3c2[C@@H]2CCCCN2C3=O)c1 653747408 KHKNDHVTUWWADD-INIZCTEOSA-N 366.421 3.553 0 1 FHAF C=C1Nn2c(nc(C(C)C)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)S1 587415619 VURFJFHLRZSDLU-CQSZACIVSA-N 356.451 3.724 0 1 FHAF COc1ccc(C(=O)c2ccccc2-c2nc3c(N)ccnc3[nH]2)cc1F 587144090 IRGRUMLVHJRQLE-UHFFFAOYSA-N 362.364 3.586 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3cccc(-c4ccccc4CO)c3)nc12 586895406 ZMKUEKJYAPBGDM-UHFFFAOYSA-N 359.385 3.571 0 1 FHAF CN(C)c1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569092 FAXWLKSDZNACNJ-XLIONFOSSA-N 362.385 3.556 0 1 FHAF C[C@@H]1C[C@]2(CN1C1CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343928 LFOLAUHCYNDAOX-ZTHZXAOBSA-N 367.420 3.886 0 1 FHAF CC[C@@]1(c2cncn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587755306 OPZGXNJFMSHXOV-QLJPJBMISA-N 352.251 3.510 0 1 FHAF COc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587772429 NVJURPZQWRXLBX-BMLIUANNSA-N 365.246 3.790 0 1 FHAF CCOC(=O)C[C@@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441778 MHGJIKPOBRMODT-VGSWGCGISA-N 366.413 3.600 0 1 FHAF CCn1ncc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587763747 LTPGFCMAJBICAT-QGHHPUGFSA-N 366.278 3.911 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587235713 PGTCBRIRBHLNQT-CHWSQXEVSA-N 373.453 3.885 0 1 FHAF COc1ccc(C[C@@H](C)c2nc3cc(OC)c(OC)cc3[nH]2)cc1OC 587926729 OEKAKUHGECECAX-GFCCVEGCSA-N 356.422 3.944 0 1 FHAF CCc1ccc(-c2nc3c(C(=O)OC)ccnc3[nH]2)cc1Br 586977380 MGMOUPOZENZXQP-UHFFFAOYSA-N 360.211 3.736 0 1 FHAF C[C@@]1(c2ccc(N)c(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576128 FZQVSKLZILKLHN-RXVVDRJESA-N 363.369 3.557 0 1 FHAF CCOc1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)ccc1OC(C)C 962923601 RIDNYQLFRQBZAJ-OXJNMPFZSA-N 373.424 3.700 0 1 FHAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(OC(F)F)cc3F)c3cccc1c32 963038704 ZSQSYNPJXMPWLC-YPMLDQLKSA-N 362.351 3.570 0 1 FHAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C[C@@](C)(O)c1ccccc1 1772576677 NGEGLNLPWZDEEJ-RAKGIWIYSA-N 351.490 3.824 0 1 FHAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CN(C)CCc1ccccn1)O2 13651339 HFFHVLHCRKCOOJ-JOCHJYFZSA-N 354.494 3.971 0 1 FHAF O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1CCOc2ncccc21 205619115 UAJVLAUYNLOPNG-CYBMUJFWSA-N 351.233 3.613 0 1 FHAF C[C@@H]1CCCN1C1CCN(C(=O)c2cccc(Br)c2)CC1 152781614 MNLJIFWBXIOWCU-CYBMUJFWSA-N 351.288 3.538 0 1 FHAF CN(CCN(C)C(=O)n1cccn1)Cc1cccc(Oc2ccccc2)c1 1857546273 HKUYFVCIVKXABX-UHFFFAOYSA-N 364.449 3.707 0 1 FHAF CCN(CCO)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 1857546768 WZMNFCYOPRRDEM-UHFFFAOYSA-N 365.433 3.721 0 1 FHAF C[C@@H](N(C)c1nc(-c2ccncc2F)nc2cnccc12)C(F)(F)F 1857582476 NWTRZYRGCGNAAN-SECBINFHSA-N 351.307 3.613 0 1 FHAF C[C@@H]1C(=O)N(C)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2N1C1CC1 1857754763 GWPQTAAOAFIPGA-GFCCVEGCSA-N 369.852 3.926 0 1 FHAF CC(C)=CC[C@]12C[C@@H]3C(=O)O[C@@H](CC(C)C)C(=O)N3[C@@H]1Nc1ccccc12 14594633 WLPAAGQHCJNVMM-JZZBYWGLSA-N 368.477 3.605 0 1 FHAF biogenic O=C(COc1ccc(Cl)cc1C(=O)c1cccnc1)Nc1ccccc1 6581264 KNNDZKBPMGQMMG-UHFFFAOYSA-N 366.804 3.984 0 1 FHAF COc1ccc(Nc2cc(N3CCN(C4CCCCC4)CC3)ncn2)cc1 6793479 YEGWXPCTIHEEGR-UHFFFAOYSA-N 367.497 3.684 0 1 FHAF CN1[C@@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccsc4)cc13)C2 100632664 SMOFOLADDUHJJG-SJKOYZFVSA-N 372.515 3.764 0 1 FHAF O=C(Nc1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1)c1ccco1 20149009 LMDMJDCLPIVGQD-UHFFFAOYSA-N 370.372 3.860 0 1 FHAF in-vivo CC(C)Cc1ccc([C@H](C)c2nn(CN3CCOCC3)c(=S)o2)cc1 64453540 DRBVKLRSTQKXLR-HNNXBMFYSA-N 361.511 3.846 0 1 FHAF CC[C@](O)(C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1OC 36387719 WUDSYGGNVVFBAW-QGZVFWFLSA-N 353.340 3.950 0 3 FHAF N=C(Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccsc1 34804356 ADRMWSOKGDTCPC-UHFFFAOYSA-N 368.506 3.863 0 1 FHAF CCc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C 222396410 NDXAAESWIVMHKZ-UHFFFAOYSA-N 363.465 3.684 0 1 FHAF Cc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)o1 49019043 VVZRKEKBQLITNW-UHFFFAOYSA-N 350.403 3.831 0 1 FHAF Cc1cc(S(=O)(=O)c2ccc(Cl)cc2)cc2c3c(oc12)CCNC3 147517803 FTVMPQFWEMBUKE-UHFFFAOYSA-N 361.850 3.873 0 1 FHAF Cn1c(Cc2cccnc2)nc2cc(O[C@H]3CC[C@@H](C(=O)O)CC3)ccc21 2382221023 TYOZJDXWXLPXQO-IYBDPMFKSA-N 365.433 3.581 0 1 FHAF O=C(O)c1ccc(-c2cn(-c3ccc(Oc4cccnc4)cc3)nn2)cc1 2382221078 UXSILHXBOLKDBT-UHFFFAOYSA-N 358.357 3.820 0 1 FHAF O=C1C[C@@H](Oc2ccc(C(F)(F)F)cc2)N1C(=O)NCc1ccccc1 299868932 STCGTPABTNPKIJ-MRXNPFEDSA-N 364.323 3.552 0 1 FHAF CN(C)C(=S)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1 299838207 MGQRSECAEKFTFB-UHFFFAOYSA-N 352.818 3.957 0 1 FHAF COC(=O)c1ccoc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587829274 PYZVFENNGWQXEI-CLAHSXSESA-N 368.202 3.591 0 1 FHAF COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CN1CCOCC1 587211472 FFIXWMIZTBCVDA-UHFFFAOYSA-N 360.457 3.841 0 1 FHAF Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc12 586983734 IDKWXKWHBNWDDK-NSHDSACASA-N 365.662 3.925 0 1 FHAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnc2ncnn12 587105702 FEVDOIZQQLFMTM-UHFFFAOYSA-N 363.380 3.859 0 1 FHAF Cc1nc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1Br 587126757 YDIWSVMCKRWGTQ-UHFFFAOYSA-N 369.169 3.735 0 1 FHAF COc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Cl 586966977 OFICYHODQWLWID-UHFFFAOYSA-N 373.825 3.962 0 1 FHAF CCOC(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648881 BXTJYVLPXMWIFX-UHFFFAOYSA-N 361.394 3.554 0 1 FHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(C)nc(C)cc2[nH]1 586972567 IJSRZJOKGWVFBO-KRWDZBQOSA-N 354.479 3.685 0 1 FHAF CC(C)Oc1cc(-n2c(O)cc(CCC(=O)O)c2O)c(Cl)cc1Cl 587943397 ZEJPWWRGLIVXTH-UHFFFAOYSA-N 374.220 4.000 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OC[C@H]3CCCO3)c1)O2 587412731 OFBMQQJPPGFUSM-OXQOHEQNSA-N 353.418 3.842 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(=O)c1cccc(Br)c1)O2 587378944 XCYAVUPWISMJFS-OAHLLOKOSA-N 360.207 3.556 0 1 FHAF CC(C)n1ccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587758427 XNLFUQQVMNZOHC-MEBBXXQBSA-N 352.251 3.989 0 1 FHAF COc1ccc2c(c1)OC=C[C@@]21NCCc2cnc3c(OC)cccc3c21 963049137 VEFAWMAEFZXKNJ-JOCHJYFZSA-N 360.413 3.547 0 1 FHAF C[C@@H](C(F)(F)F)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962909289 WRYANMFHIMHGPN-PSZVPEGOSA-N 367.342 3.867 0 1 FHAF Oc1ccc2c(c1)OC=C(Oc1ccccc1)[C@@]21NCCc2ccc(O)cc21 963353759 SLUNPHMZAALVKQ-HSZRJFAPSA-N 373.408 3.800 0 1 FHAF C[C@H](NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1)C1CC1 167573953 HZACIUKXLUFAHO-ZDUSSCGKSA-N 367.424 3.902 0 1 FHAF O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2F)n1)c1ccccc1 203339077 RCVMABIEQBFVLF-IBGZPJMESA-N 364.376 3.834 0 1 FHAF CCOP(=O)(OCC)[C@H](Nc1ncccn1)c1ccc(OC)cc1 1857652617 HFEXRWHCQBWNSZ-HNNXBMFYSA-N 351.343 3.862 0 1 FHAF CC=C(C)[C@@H]1O[C@@H]2C(C)=C[C@](C=CC(=O)O)(CO)[C@@H]3C(C)=C[C@]1(C)[C@@]32C 2356394922 JBEJQFQKKHSILD-NPQLIOMISA-N 358.478 3.888 0 1 FHAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCO 4213669 PPDNJQXESFNZPJ-SFTDATJTSA-N 368.477 3.962 0 1 FHAF Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cc4ccccc4o3)cc12 8584015 PNQBWQGAZNKTER-UHFFFAOYSA-N 360.413 3.864 0 3 FHAF CCCCn1c(=O)cc(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100643249 SHZKSHSMYOTECL-HOTGVXAUSA-N 368.477 3.584 0 1 FHAF COc1ccc(CC[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC 5811653 AECKSTRRHRODOS-SFHVURJKSA-N 371.477 3.883 0 1 FHAF biogenic O=C(OCC(F)(F)F)c1nn(C(=O)c2ccsc2)c2ccccc12 72177403 OVUCWELEQUREKO-UHFFFAOYSA-N 354.309 3.505 0 1 FHAF COc1ccccc1CN[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 33819203 YAKDYRUTAGMFMS-QFIPXVFZSA-N 371.440 3.601 0 1 FHAF CCN(CC)C(=O)c1c(NC(C)C)c2cccnc2n2c(C(C)C)nnc12 40865406 DTIUBOTVGXZGFN-UHFFFAOYSA-N 368.485 3.703 0 1 FHAF O=c1c(O)c(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[nH]c2ccccc12 147793960 GCGSWOMWFCQYLH-UHFFFAOYSA-N 365.389 3.799 0 1 FHAF O=C(O)C[C@H]1[C@@H]2C[C@H]3C=C[C@@H](c4ccc5c(c4)OCO5)[C@@H]4C=C[C@H]1[C@H]2[C@@H]43 238740087 ABOYVNQPUIGLSV-NZMWGYAISA-N 350.414 3.844 0 1 FHAF CC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C[C@H]1C 95564637 LJJAHPHAPWPSHP-TYCQWZJGSA-N 371.502 3.972 0 1 FHAF Cc1sc(-c2cc(F)cc(F)c2)nc1CSc1nc(N)cc(N)n1 96283891 VGNDHAUFLCEVQG-UHFFFAOYSA-N 365.434 3.643 0 1 FHAF CC(C)=CC(=O)OC[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 621477372 IYESFXALZJQBEI-AWEZNQCLSA-N 358.413 3.669 0 1 FHAF CCCCNCc1ccc(-c2[nH]c3cccc4c(O)n[nH]c(=O)c2c34)cc1 473083995 PYDPELONKUWGFG-UHFFFAOYSA-N 362.433 3.667 0 1 FHAF COc1ccc(CNC(=O)c2nc3cc(Cl)ccc3s2)cc1OC 473248997 RQTBBZPLCDLBQG-UHFFFAOYSA-N 362.838 3.897 0 1 FHAF COC(C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC 587594015 JZGIYEVHUYLGCF-RXVVDRJESA-N 372.417 3.758 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@@H](C)C(=O)OC)CC2=O 587471815 VQSSCSCSFTYYJN-KPZWWZAWSA-N 357.406 3.587 0 1 FHAF COc1cc(O)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587805677 FTKXCDSKHJXBEX-XLFHBGCDSA-N 366.230 3.926 0 1 FHAF CCCCC[C@H](C)CNC(=S)n1ncc2ccc(Cl)cc2c1=O 587655233 XUDQUBBPFLORRB-LBPRGKRZSA-N 351.903 3.989 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCc4ccc(OC)cc4[C@@H]1C)[C@@H](C2)C3=O 587444937 XLQQZLIIVJNSNZ-BPGAAWKESA-N 350.414 3.940 0 1 FHAF CCCOc1cccc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587778565 MSPXKVRAVSTXQT-UHFFFAOYSA-N 365.477 3.775 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(F)c1)(C1CCNCC1)O2 587385423 OBPMFFBRHYJTBQ-NRFANRHFSA-N 372.415 3.716 0 1 FHAF COc1cc2c3c(c1)O[C@@](CC(=O)Nc1ccccc1)(C(C)C)[C@@H](C2)C3=O 587431984 IXBFOKOQGZOAJS-JTSKRJEESA-N 365.429 3.866 0 1 FHAF Cn1ncc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587583980 XTDSOKCUUYFVEH-SIKLNZKXSA-N 372.380 3.982 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1cncc(F)c1 587567837 FKAWHGVVTLSMFG-MJGOQNOKSA-N 365.360 3.889 0 1 FHAF Cc1ccc(/C=C\c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1F 587146384 KCKIJNJFAJGXMV-YVMONPNESA-N 350.441 3.933 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(Cc3cscn3)CC1)CC2=O 587496770 UMGPDHDGGZVFFI-UHFFFAOYSA-N 372.490 3.801 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(C(C)(C)C)cc41)[C@@H](C2)C3=O 587442480 YDFVQEHZNFDBMN-OYHNWAKOSA-N 363.413 3.588 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4cccc(C)c4)c1)[C@@H](C2)C3=O 587431678 LQCRZUCBFFXCTN-AVRDEDQJSA-N 360.413 3.852 0 1 FHAF CCCCOC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349071 PERTVXMKQWLJSA-WIYYLYMNSA-N 372.392 3.992 0 1 FHAF Cn1nnc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1C(F)F 587128848 RWGYFJUAUZYQDX-UHFFFAOYSA-N 353.332 3.527 0 1 FHAF CCOC(=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587157533 NXDQOMUKQIVDMW-UHFFFAOYSA-N 364.174 3.703 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1O)[C@@H](C2)C3=O 587423344 XIJCAWXTJUEESR-YVEFUNNKSA-N 350.292 3.908 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnc(N4CCCCC4)s1)[C@@H](C2)C3=O 587454367 WKNIOTYEPVXBQE-UGSOOPFHSA-N 356.447 3.631 0 1 FHAF COCc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587850971 GZGCCIMSSURTHJ-AYVTZFPOSA-N 371.275 3.815 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1coc4ccc(Cl)cc4c1=O)[C@@H](C2)C3=O 587423594 WETWOEXBDBHUFR-RNODOKPDSA-N 368.772 3.944 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H](C2)N3C)N1 587777016 YMVIVDHRFFSWHZ-AKENFEQQSA-N 353.279 3.574 0 1 FHAF Clc1cccnc1-c1nc2cccc(I)c2[nH]1 587064431 BECOFGFVARPCAK-UHFFFAOYSA-N 355.566 3.883 0 1 FHAF COc1cccc([C@@]2(c3cc(C)cc(C)c3)NCCc3ccc(O)cc32)n1 963343405 VRHQAVNVCLIAKW-QHCPKHFHSA-N 360.457 3.850 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc3cc(Cl)ccc3n1)NCC2 962924644 LCLZOKZEWLWXBV-FQEVSTJZSA-N 365.864 3.825 0 1 FHAF O=C(Cn1cc2c(n1)CCCC2)Nc1cc(-c2cccc(Cl)c2)no1 5147798 CWYDCRJQKAYFQB-UHFFFAOYSA-N 356.813 3.709 0 3 FHAF FC(F)(F)c1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1 169350276 APDUBUJHUYQKMX-UHFFFAOYSA-N 365.399 3.692 0 1 FHAF CC1=NC(=O)N[C@@H](c2ccc(OC(C)C)cc2)[C@@H]1C(=O)OC1CCCC1 169719423 IADSWZBNUQKRFR-MSOLQXFVSA-N 358.438 3.801 0 1 FHAF C[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1)C1CC1 166621860 HZACIUKXLUFAHO-CYBMUJFWSA-N 367.424 3.902 0 1 FHAF COc1cc(O)ccc1-c1ccc2c(-c3nc4ccncc4[nH]3)n[nH]c2c1 167237500 FAXXJQZGWUAADG-UHFFFAOYSA-N 357.373 3.882 0 1 FHAF C[C@H](O)[C@@H](CCc1cccc(C(F)(F)F)c1)n1ccc2c(N)ncnc21 1857639432 PXAAMYWESOEKHB-XHDPSFHLSA-N 364.371 3.587 0 1 FHAF C[C@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc(Br)cc1 100381554 GHDWIFTUSXQYGK-CQDKDKBSSA-N 352.272 3.721 0 3 FHAF in-vitro Cc1nn(-c2ccc(Cl)cc2)c(=O)n1-c1nnc(-c2ccccc2)s1 103280861 IDWDAVYELAUQGX-UHFFFAOYSA-N 369.837 3.504 0 1 FHAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@H](O)COc1ccccc1F 26729885 GXZBPMXLLCKTPO-INIZCTEOSA-N 356.441 3.658 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C=CCC[C@]34C)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2356636770 ULDLIESGVCHUSR-UTQHMRIFSA-N 372.505 3.524 0 1 FHAF N[C@H]1CN(c2nccc3ccccc23)CC[C@@H]1c1cc(F)c(F)cc1F 28707334 DEAREYSGFODEMP-KUHUBIRLSA-N 357.379 3.973 0 1 FHAF C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 36387732 ICTNNJSWTVCTGZ-LBPRGKRZSA-N 368.824 3.806 0 3 FHAF O=C(OC1=C2C=CC=C3CCN(C(=O)[C@@H]1c1ccccc1)[C@@H]32)c1ccccc1 72102668 FGMYBDTZWKYKQO-RTWAWAEBSA-N 369.420 3.992 0 1 FHAF O=C(Cc1cccc(F)c1)N1CCC(c2nc(-c3cccs3)no2)CC1 71329396 XPYOLHBWKOBFTQ-UHFFFAOYSA-N 371.437 3.886 0 1 FHAF COc1cccc(Cc2nc3c(C(=O)O)cc(Br)cc3[nH]2)c1 319205996 QPAAWOVEHXSXTF-UHFFFAOYSA-N 361.195 3.623 0 1 FHAF Cc1cc(C)c(CN2CCc3ccc(OC(C)C)c(Cl)c3C2=O)c(=O)[nH]1 220641458 SNBYUGZWDXWLGO-UHFFFAOYSA-N 374.868 3.631 0 1 FHAF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C(=O)[C@H]4O 84672229 XRHMUOZYOZFAIT-ZWFNYGPUSA-N 362.510 3.892 0 1 FHAF COc1c(O)c([C@@H](CCc2ccccc2)OC)c(OC)c(OC)c1OC 149926515 GPIKQDSOFNVIMH-CQSZACIVSA-N 362.422 3.747 0 1 FHAF COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4)c3c2s1 96270428 WYEVMOFRKALLJA-UHFFFAOYSA-N 365.418 3.963 0 1 FHAF CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO 95877986 YQBGGQMUOBBMST-LRQRDZAKSA-N 354.425 3.579 0 1 FHAF COc1cc2c(c(O)c1OC)-c1c(cc(O)c(OC)c1O)C[C@@H](C)[C@@H](C)C2 49088287 FEKVZUDOFFNYLV-MNOVXSKESA-N 374.433 3.867 0 1 FHAF biogenic CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2cc(C)cc(C)c12 299820178 FGZOJYBKOBFFHP-UHFFFAOYSA-N 351.402 3.972 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C)O2 587395233 MBLPBQUKMXOIQQ-ZUOKHONESA-N 360.454 3.558 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587007877 UHXSGBPVWNJFJO-AWEZNQCLSA-N 371.198 3.592 0 1 FHAF Cc1cn2c(n1)[C@]1(CC=C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587775605 SHUUSMXFIIZQPH-BMLIUANNSA-N 362.246 3.745 0 1 FHAF CO[C@]1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587602429 XPAHXPJFYUXDHG-ZLGUVYLKSA-N 354.402 3.928 0 1 FHAF COC(=O)c1ccccc1-c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587558658 BXWXRUJHLDOFQS-UHFFFAOYSA-N 373.368 3.557 0 1 FHAF COC(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419902 FVKDTYMSJVXFQI-QRWLVFNGSA-N 372.804 3.555 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN[C@@H]1CCCC[C@H]12 587597185 UEQCNTMRHURMCN-GDVTWYKTSA-N 365.429 3.645 0 1 FHAF COc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1F 587123534 IXAFOXAILOVHLD-FUXBKTLASA-N 369.322 3.882 0 1 FHAF COC[C@]1(CCCCC2OCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536807 WSYPERKTPNEZKX-QFIPXVFZSA-N 374.477 3.849 0 1 FHAF COc1ccc([C@]2(C[C@@H](C)C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403685 PQSJKCZUXQZTCM-ASSNKEHSSA-N 369.417 3.557 0 1 FHAF O=S(=O)(CCc1nc2ccc(Cl)cc2[nH]1)c1ccc2c(c1)CCC2 586921165 ZZBKIMQVKZCQEL-UHFFFAOYSA-N 360.866 3.721 0 1 FHAF c1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1CN1CCOCC1 586887803 IASKSJZNYDEFIT-VDVULAQNSA-N 351.494 3.863 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(CCC(=O)c3ccc(F)cc3)nc2c1 587163588 SBWZXTBVOHLQBX-UHFFFAOYSA-N 360.772 3.958 0 1 FHAF CS(=O)(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073385 HKELVUHHVVBAHV-UHFFFAOYSA-N 360.866 3.894 0 1 FHAF O=C(Nc1ccccc1Cl)c1nc2c(Br)ncc(F)c2[nH]1 587060242 HKLLUVXYUOHAAK-UHFFFAOYSA-N 369.581 3.765 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cccnc1N)O2 587384369 KWRXMIZPNXPFQL-OAQYLSRUSA-N 363.392 3.603 0 1 FHAF Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1Br 587497145 KTJIDUYOOKQBQZ-HNNXBMFYSA-N 361.239 3.768 0 1 FHAF C[C@@]1(c2ccc3c(c2)NC(=O)CO3)CC(=O)c2ccc3c(c2O1)CCCC3 587528137 XLBJNBFXMJJFNJ-QFIPXVFZSA-N 363.413 3.777 0 1 FHAF CC[C@@]1(c2c[nH]c(C(=O)O)c2)c2ccsc2CCN1Cc1cccnc1 962997366 MCRFZGHJKJPWMC-HXUWFJFHSA-N 367.474 3.881 0 1 FHAF C[C@H](c1ccncn1)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 13596914 YBUXMYHYIAJBCB-LLVKDONJSA-N 363.343 3.738 0 3 FHAF COc1cc(/C=C/C(=O)O)ccc1Oc1ccc(/C=C/C(=O)O)cc1OC 14635115 BRYJSPGJWTUCLS-NXZHAISVSA-N 370.357 3.692 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc(F)c1F 169723603 IOZRAQBOYNWLEQ-HOCLYGCPSA-N 365.376 3.539 0 1 FHAF CCCCNC(=O)[C@@H]1CCCN1C(=O)Nc1cc(Cl)cc(Cl)c1 201447666 LDYBKBUJEBZLMJ-AWEZNQCLSA-N 358.269 3.906 0 3 FHAF Cc1ncc(C)n2nc(-c3ccc4nc(Cc5ccccc5)[nH]c4c3)nc12 1857758714 ONGOCTRDDWOFAS-UHFFFAOYSA-N 354.417 3.875 0 1 FHAF COC(=O)CC[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O 602951 DPCWHZBPEGAYOV-MRXNPFEDSA-N 374.799 3.590 0 1 FHAF CC(=O)Oc1c2c(c(OC(C)=O)c3cc(Cl)ccc13)OCCCO2 603461 PRGZMEQKDJLHRU-UHFFFAOYSA-N 350.754 3.505 0 1 FHAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1 822801 YWCATHFJTOJZPZ-FUOYASODSA-N 356.381 3.806 0 1 FHAF CC1CCN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)CC1 2500059 QFBGSIFIZXDGAD-UHFFFAOYSA-N 352.413 3.697 0 1 FHAF COCCNC(=O)CSc1c2c(nc3cc(Cl)ccc13)CCCC2 4901471 LLKNSZUEJFHGIF-UHFFFAOYSA-N 364.898 3.622 0 1 FHAF aggregator COc1ccc2c(c1)C[C@](CCN(C)C)(c1ccc(Cl)cc1)OC2=O 53243890 HSMUTFIXDOZWTB-HXUWFJFHSA-N 359.853 3.909 0 1 FHAF C[C@]12CC[C@H](O)C[C@H]1CC[C@]13CC[C@H](C4=CC(=O)OC4)[C@@](C)(CC[C@H]12)C3=O 2356446052 WLKITKZNBMSWFH-KKDPYEJZSA-N 372.505 3.813 0 1 FHAF CCOC(=O)c1c(C)nsc1NC(=O)Cc1cccc2ccccc12 64573044 NNEIYGAXNREVRG-UHFFFAOYSA-N 354.431 3.963 0 1 FHAF COc1ccccc1N1CCN(CCCOc2ccc3c(c2)CCC3)CC1 26509212 BDAFQSTYGPWFLI-UHFFFAOYSA-N 366.505 3.775 0 1 FHAF COc1cc2c(cc1O)C[C@H]1c3c(c(Cl)c(O)c(OC)c3-2)CCN1C 38794232 HRPJZDTZANKXQI-LBPRGKRZSA-N 361.825 3.521 0 1 FHAF in-vivo COc1cc2c(c3c1C[C@@H](O)[C@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2 15121063 LSOMOCKNPBFMAK-APWZRJJASA-N 354.402 3.622 0 1 FHAF biogenic COc1ccc(CN2CC[C@H]3CC(=O)N(c4ccccc4)CC[C@H]3C2)cc1 15672938 OWBICFVPJZVFGB-PMACEKPBSA-N 364.489 3.960 0 1 FHAF biogenic NCCCN1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1cccc(O)c1 49820755 ORWYLXCPUPWKCU-HXUWFJFHSA-N 355.869 3.823 0 1 FHAF C[C@@H](C(=O)N1CCOCC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40743021 FUWLJSGPXZGUDM-PVAVHDDUSA-N 373.518 3.744 0 1 FHAF CCN(CC)Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O 49054655 XBTQUCJTNMIJCS-UHFFFAOYSA-N 358.445 3.779 0 1 FHAF COc1cc(OC)cc(Oc2cc(N(C)Cc3ccccc3)ncn2)c1 82067443 JAVXONHKPUJAAT-UHFFFAOYSA-N 351.406 3.923 0 1 FHAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCc1cccs1 82203543 PQVRZFJRPLSPND-UHFFFAOYSA-N 357.527 3.523 0 1 FHAF C/C=C1/CN2CC[C@]34C(=C(OC(C)=O)[C@@]1(C)C[C@]23C)Nc1ccccc14 238782813 MNUGHIINEFKPIJ-MJSDLSDFSA-N 350.462 3.959 0 1 FHAF Cc1cccc(-c2noc([C@@H]3CCN3C(=O)Cc3ccc(F)cc3)n2)c1 95574728 ZHSFJQJYQFVMCA-KRWDZBQOSA-N 351.381 3.700 0 1 FHAF COC(=O)C1=CC(=O)C[C@H](C)CCC[C@H](C)C(=O)C[C@H](C(C)C)C(=O)C1 299807150 FDULQXJIBZLYBH-RVKKMQEKSA-N 364.482 3.692 0 1 FHAF O=C(NCCc1c[nH]c2ccccc12)c1cc[n+](Cc2cccc(F)c2)cc1 473154834 MDLWLYHQPBQWFO-UHFFFAOYSA-O 374.439 3.615 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C1)CC2=O 587475140 JRGCVNBZUPGMMH-QFIPXVFZSA-N 351.446 3.955 0 1 FHAF COc1cccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c12 587244805 MCPVMWDSECUSHZ-UHFFFAOYSA-N 362.389 3.711 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1Cc2ccccc2O1 587872316 UIQNQNLAVRUEOF-GOSISDBHSA-N 352.365 3.732 0 1 FHAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587094226 NLRJUPLZRVVDGN-LURJTMIESA-N 355.238 3.591 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3noc(C)n3)cc1)O2 587394877 KXFDOUYSGRCHMU-SFHVURJKSA-N 365.389 3.554 0 1 FHAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cccc(C(F)(F)F)c2[nH]1 587225828 VDVPXUMBVDOIJR-LLVKDONJSA-N 363.339 3.665 0 1 FHAF CCOC(=O)Cc1ccc2nc(-c3cc(NC(C)=O)ccc3Cl)[nH]c2c1 587051489 XYKCMKATECWKBJ-UHFFFAOYSA-N 371.824 3.947 0 1 FHAF O=C(O)c1cc(Br)cc2nc(C3(c4ccccc4O)CC3)[nH]c12 586897173 SOHJHABLJRNICG-UHFFFAOYSA-N 373.206 3.809 0 1 FHAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 587192528 VEJJZLXHVLBBDR-CYBMUJFWSA-N 373.844 3.914 0 1 FHAF C[C@@H]1CC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1C 587357069 SFHHNQSNBHEICO-BQBNYBFTSA-N 354.377 3.874 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(CC(=O)O)CC2)N1 587832691 ZYEYGDJOWIELDS-KCCQOBMMSA-N 370.262 3.983 0 1 FHAF Cc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587592334 GQTILUUABZAXPR-GCJKJVERSA-N 373.364 3.510 0 1 FHAF CCCCS(=O)(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587409059 KBZNXPVKMNWJEQ-LJQANCHMSA-N 373.474 3.858 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)nc1)[C@@H](C2)C3=O 587418059 RKGJQHGBBLRWNO-YVEFUNNKSA-N 360.207 3.516 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@](c2ccco2)(C(F)(F)F)N1)C(F)(F)F 962731439 RXTSJYMKBBKQJI-RISCZKNCSA-N 363.257 3.731 0 1 FHAF Cc1conc1[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962956807 NLOKFZKWPGJJTK-MRXNPFEDSA-N 352.356 3.743 0 1 FHAF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)C2=O 962727822 BCNYTCBBHMCWFV-WTVLQJKYSA-N 365.395 3.553 0 1 FHAF CCOC(=O)[C@H](C)[C@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962716946 UHCDVYFLLRVLOP-CKFHNAJUSA-N 351.487 3.604 0 1 FHAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cs1 962704064 UDHKXWASSYAYEJ-UONOGXRCSA-N 359.344 3.903 0 1 FHAF COc1ccc(OC)c(-c2cccc([C@H](CC(=O)O)c3nnc(C)o3)c2)c1 1772626674 RYAWUOGGYLNZAF-KRWDZBQOSA-N 368.389 3.669 0 1 FHAF O=c1[nH]c2ccccc2cc1-c1csc(C[S@](=O)c2ccccc2)n1 14974791 UQSJZZMWPULVAA-RUZDIDTESA-N 366.467 3.959 0 1 FHAF COc1ccc2nc(C(F)(F)F)cc([C@H](O)C[C@H]3CCCCN3)c2c1 169334023 JBOMJJNUUWGZGW-BDJLRTHQSA-N 354.372 3.828 0 1 FHAF Cc1csc(C(C)(C)NC(=O)c2cnc(C3CC3)c(OCC3CC3)n2)n1 207378533 ZXYRRXDYYVFHPC-UHFFFAOYSA-N 372.494 3.573 0 1 FHAF O=C1Nc2ccc(O)cc2/C1=C/c1c(-c2ccncc2)nc2sccn12 1857594829 RLFVMSYTFNBJFM-UVTDQMKNSA-N 360.398 3.656 0 1 FHAF CC(C)Oc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1Br 1857633005 HVTXFNSNDKVWJE-UHFFFAOYSA-N 369.240 3.680 0 1 FHAF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4207015 VZKDFLWDDKQWQE-HKUYNNGSSA-N 372.852 3.585 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N1CCOCC1 4216517 IDTKPVAHRLLHRN-PMACEKPBSA-N 374.481 3.568 0 1 FHAF COC1=CCC2=C(CCN(C(=O)C3CC3)[C@H]2Cc2ccc(OC)c(O)c2)C1 6040601 YTBOZXIBRPTTQO-IBGZPJMESA-N 369.461 3.575 0 1 FHAF CC(C)(C)n1nnnc1CN(Cc1cccnc1)Cc1ccccc1Cl 59867789 BZCCZLHGABVKIR-UHFFFAOYSA-N 370.888 3.679 0 3 FHAF Cc1ccccc1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1=O 59278079 LHCXOZHMRMINGU-UHFFFAOYSA-N 363.244 3.791 0 1 FHAF CCCCC[C@H](O)/C=C/[C@H]1O[C@H]2C[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100953430 DSNBHJFQCNUKMA-YKPFZQKASA-N 352.471 3.815 0 1 FHAF COc1ccc([C@@H]2O[C@H](C3=C[C@H](OC)[C@H](OC)C=C3)[C@@H](C)[C@@H]2C)cc1OC 2356432737 KPICBHIDTSYCGW-FYGRCUSLSA-N 374.477 3.942 0 1 FHAF CCOC(=O)N1CCC(c2ccccc2)(S(=O)(=O)c2ccccc2)CC1 28354835 KBNDREMXKMFWFQ-UHFFFAOYSA-N 373.474 3.608 0 1 FHAF O=C1CCN([C@@H]2CCCC[C@H]2OCCc2ccccc2Br)C1 28653709 WYNLBKMFQQULIN-QZTJIDSGSA-N 366.299 3.594 0 1 FHAF CN1CCN(CCn2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc32)CC1 35814495 SPACSAKNWLXMOR-UHFFFAOYSA-N 367.537 3.754 0 1 FHAF NCc1cccc(-c2cccc(C(=O)Nc3ccccc3CC(=O)O)c2)c1 223802946 VEQODTWEXCBUAZ-UHFFFAOYSA-N 360.413 3.692 0 1 FHAF CC1(C)Oc2ccncc2[C@@H](n2cncc2-c2ccc(Cl)cc2)[C@@H]1O 40393277 GHWMDGOTRVWMKW-MSOLQXFVSA-N 355.825 3.720 0 1 FHAF Nc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3cccnc3)ccc1C2=O 43204861 MOPAHRHEKKVOML-UHFFFAOYSA-N 364.408 3.923 0 1 FHAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NCCC(C)C)c2cc1OC 82131156 HLWHMWCYFNOTHV-AWEZNQCLSA-N 374.485 3.696 0 1 FHAF C[C@H](C(=O)NCCO)c1ccccc1Nc1c(Cl)cccc1Cl 42920808 JFKGYWDDZQSVLS-NSHDSACASA-N 353.249 3.949 0 1 FHAF O=C(Cc1cc(F)c(Cl)cc1Cl)N[C@H]1CCOc2ncccc21 146605031 OEMNLMOBUMQHGK-AWEZNQCLSA-N 355.196 3.710 0 1 FHAF O=C(N1CCC2(CCCCC2)CC1)N1C[C@@H]2CN(c3ccccn3)C[C@@H]2C1 96283268 GLGIOPURNZDMQH-KDURUIRLSA-N 368.525 3.616 0 1 FHAF CCCc1ccccc1NS(=O)(=O)c1cccc(NC(=O)NCC)c1 95556079 HOXSEHQWIZLRDL-UHFFFAOYSA-N 361.467 3.581 0 1 FHAF CO[C@@H]1C[C@@H](CC[C@@]2(C)[C@H](C)[C@H](O)C[C@@]3(C)C(CO)=CCC[C@@H]32)CO1 140073413 GOCXWVDTBKRQRK-WGNZYEJVSA-N 352.515 3.518 0 1 FHAF biogenic CCc1c(C)sc(NS(=O)(=O)c2ccc(C)cc2)c1C(=O)OC 95601048 BSIDKVUCSMGJGY-UHFFFAOYSA-N 353.465 3.515 0 1 FHAF COc1ccc2cc(CCCOCCCc3cccnc3)oc(=O)c2c1 653709087 APLCIWKLTVKRSZ-UHFFFAOYSA-N 353.418 3.779 0 1 FHAF C[C@@H]1CC2(Cc3c1nc1ccc(O)c4c1c3-c1ccccc1C4=O)OCCO2 586991990 RPCBWDIZRZTEGH-GFCCVEGCSA-N 373.408 3.945 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(N)CC(C)(C)C2)N1 587743729 FJILIUUUMSOIEL-BMLIUANNSA-N 353.279 3.980 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nonc12 587588379 KILHXZMYNHGAKI-JXFKEZNVSA-N 360.325 3.631 0 1 FHAF FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3CCOC3)nc2c1 586912489 UHLHMKMMHKVTDF-ZCFIWIBFSA-N 351.122 3.728 0 1 FHAF Cn1cc(-c2ncc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)s2)cn1 587021834 PNMCSXHDCLSYSA-UHFFFAOYSA-N 351.222 3.789 0 1 FHAF C[C@]1(c2cn3ccccc3n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584657 ABFCOXIWJHCFSO-SIKLNZKXSA-N 372.380 3.917 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(O)cc1C2 587612828 WUVGXMAGIMXFCC-NFBKMPQASA-N 374.392 3.987 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1C)O2 587396422 SEJJLSAFIONOPC-XCLFUZPHSA-N 360.454 3.558 0 1 FHAF COc1ncc(F)cc1-c1nc2c(F)c(F)c(Br)cc2[nH]1 587176589 XBIWTLVJDWTRTP-UHFFFAOYSA-N 358.117 3.813 0 1 FHAF CCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587763493 JMXMMZLAVOQDGV-XXFAHNHDSA-N 352.251 3.737 0 1 FHAF CC[C@@H]1OCCC[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586914884 ZEJRHVJXGCJAKT-SKDRFNHKSA-N 353.216 3.696 0 1 FHAF COc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132077 ISJATKWJCKFRCN-LLVKDONJSA-N 353.369 3.541 0 1 FHAF CC[C@@]1(C)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(N)ccc2O1 587434457 VNMLWDWFZUTRHO-XGRCMKMKSA-N 365.429 3.872 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cc(C)on3)c1C)O2 587388464 CBJDEAFMMHHKCS-SFHVURJKSA-N 351.406 3.988 0 1 FHAF CCOCCOCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587778232 IRNPWYGTXNMCCF-UHFFFAOYSA-N 367.165 3.897 0 1 FHAF Nc1ccnc2[nH]c(COc3ccc(Cl)cc3Br)nc12 586977571 YDILJRCSTFUUAX-UHFFFAOYSA-N 353.607 3.535 0 1 FHAF CC[C@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336785 APAWEDOYRZOACK-RXVVDRJESA-N 366.392 3.929 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn2ccc(C)cc2n1 587872356 KGZLLGIPBQEJTR-UHFFFAOYSA-N 364.380 3.733 0 1 FHAF Brc1ccc2c(c1)C[C@]1(CC2)NCCc2nc3ccccn3c21 962989437 PXGJQVTUELDQBJ-IBGZPJMESA-N 368.278 3.627 0 1 FHAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cccc(Br)n1 963260536 XVVKMNPCRWXOPI-OAHLLOKOSA-N 353.647 3.741 0 1 FHAF Cc1ccnc2[nH]cc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c12 962731460 SCSJPUQLXOPHER-ZBFHGGJFSA-N 359.351 3.606 0 1 FHAF CCOC(=O)c1cc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)ccn1 963126258 WBHQDXWJIOXXQM-GOSISDBHSA-N 365.260 3.974 0 1 FHAF Cc1ccccc1CC[C@@H]1CCCN(C(=O)CN(C)Cc2cccnc2)C1 12320363 NSJHTNKRRBJZJI-FQEVSTJZSA-N 365.521 3.693 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3[C@H](C2)N1C 14659755 PSKQBNMDFPYFNM-HOTGVXAUSA-N 355.434 3.547 0 1 FHAF Cc1cc(C)c2cc(C(=O)NC3CN(c4ncccc4Cl)C3)ccc2n1 1857638815 AQSISDBCZFDDCM-UHFFFAOYSA-N 366.852 3.519 0 1 FHAF Cc1nc(N=c2[nH]nc(-c3ccc(C(F)(F)F)cc3)o2)c(C)c(C)c1O 1857771329 OVAPSFPIENOALK-UHFFFAOYSA-N 364.327 3.947 0 1 FHAF O=C(O)/C=C/c1ccc2oc(C(=O)Nc3ccc(Cl)cc3)cc(=O)c2c1 1857771497 JRJXQKKSRHVTPC-KRXBUXKQSA-N 369.760 3.797 0 1 FHAF COc1ccc(-n2ncc([C@H](C)NCc3cccc4nonc34)c2C)cc1 59418149 UAMVAOMGJDBMOR-ZDUSSCGKSA-N 363.421 3.576 0 1 FHAF CC(=O)Nc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100621301 NFOBUUOKVJCIMS-IRLDBZIGSA-N 373.456 3.848 0 1 FHAF COc1cc(C(=O)c2sc3c(OC)cccc3c2N)cc(OC)c1OC 28644765 QYZUZDZVEJRZLP-UHFFFAOYSA-N 373.430 3.749 0 1 FHAF CNC(=O)[C@H](Cc1ccccc1)NCc1ccc(OCc2ccccc2)cc1 27654662 PFZGGJTWPMATOE-QHCPKHFHSA-N 374.484 3.713 0 1 FHAF CC(=O)Nc1cccc(OCC=CN(C(C)=O)c2ccc(C)cc2O)c1 2356820701 FNNJTRIYEZDPRF-UHFFFAOYSA-N 354.406 3.605 0 1 FHAF COC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1 72180810 XDOIAYJZSYKQCS-CQSZACIVSA-N 365.433 3.703 0 1 FHAF CCN(CCNCc1coc(-c2ccc(O)cc2)n1)c1cccc(C)c1 72101820 LULOLBRLDXUHIF-UHFFFAOYSA-N 351.450 3.972 0 1 FHAF Fc1ccc(CNc2ncnc3c2nc(C2CC2)n3C[C@H]2CCCO2)cc1 82186042 JDMKWIMPNDPOEW-MRXNPFEDSA-N 367.428 3.634 0 1 FHAF O=C(NCC1CCOCC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12 1911578189 YBJBHTIPCKIVHE-UHFFFAOYSA-N 371.387 3.665 0 1 FHAF CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCC(F)(F)CC3)[C@@H]2CC1 299815100 ATSLHGYWHBNEOX-YTGMWSOZSA-N 369.452 3.553 0 1 FHAF Fc1ccccc1[C@@H](F)CO[C@H]1CC[C@H](Nc2ncnc3[nH]ncc23)CC1 257816608 GHKNHBRWJYMSHK-DCGLDWPTSA-N 373.407 3.943 0 1 FHAF COc1cc(O)cc2c1C(=O)[C@@H](c1ccc3c(c1O)C=CC(C)(C)O3)CO2 85949122 ZIDJFMZHWCAFPM-CQSZACIVSA-N 368.385 3.650 0 1 FHAF biogenic CCN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(F)cc2)n1 299882983 QPLQTZHWIRRRLX-HUUCEWRRSA-N 370.472 3.857 0 1 FHAF Cc1ccc(NC(=O)CCSc2nnc(C)n2Cc2ccco2)cc1C 299821326 KFSVKHOTKOUPSJ-UHFFFAOYSA-N 370.478 3.966 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@H](C1)N3C(=O)OC(C)(C)C)O2 587399669 MQSXGNJRONMTST-GFENJXEQSA-N 372.465 3.843 0 1 FHAF COc1cc(O)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587806321 HTQNBYFVPIFTOO-VVVCHXIZSA-N 366.230 3.926 0 1 FHAF CC(=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604819 YXVCUJITLVVGJM-SIKLNZKXSA-N 360.365 3.838 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccnc2Cl)N1 587707413 VLCLHRBEBQEYLU-VXJOIVPMSA-N 370.653 3.829 0 1 FHAF Nc1ccc(-c2nc3ccc(Br)nc3[nH]2)c(C(F)(F)F)c1 587095323 DFGJVBFHZIXMCR-UHFFFAOYSA-N 357.133 3.988 0 1 FHAF O=C(NCc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1cscn1 587027473 DPZCPKAMSQFJPS-UHFFFAOYSA-N 358.370 3.561 0 1 FHAF O=S(=O)(O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587109886 PVCHTLORMGMWEA-UHFFFAOYSA-N 360.288 3.635 0 1 FHAF CCc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587776367 WZEFYSNHOCFBFY-XXFAHNHDSA-N 350.235 3.564 0 1 FHAF COC(=O)CCC[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587401870 ZLBDTHCUKSXFQH-NRFANRHFSA-N 353.418 3.781 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(N)=O)cc3)o1)O2 587391431 UAAMCKKQHRBANB-LJQANCHMSA-N 362.385 3.643 0 1 FHAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(O)ncnc4[nH]3)c2)c1 587050343 OTDXUFHKFWNMRP-UHFFFAOYSA-N 350.765 3.858 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(OC)cc(OC)c1 587870144 AJWLDBVUNYOVBI-UHFFFAOYSA-N 370.380 3.794 0 1 FHAF O=C1C[C@@H](Cc2nc3ccccc3[nH]2)c2c(Br)cccc2O1 587004215 RLEJPYCGSBYSNP-SNVBAGLBSA-N 357.207 3.961 0 1 FHAF CCCn1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587763660 KZYDVEUHBJJVNO-APPDUMDISA-N 366.278 3.992 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@H](C(=O)O)C3 586989592 CBOMJEKGFYFXLS-NSHDSACASA-N 359.381 3.731 0 1 FHAF C[C@@]1(c2ccc(NC(N)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514938 YKXYXVNVCUQVOR-NRFANRHFSA-N 350.418 3.937 0 1 FHAF COc1cccc(O[C@H](C)[C@@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1 963643637 ZZZQVYFKGFVMIB-SMASLZHESA-N 371.477 3.929 0 1 FHAF C[C@H](O)c1cc(C(=O)NCc2c(F)cccc2Cl)ccc1-c1cn[nH]c1 1772636497 WQKAWEFODUZYFB-NSHDSACASA-N 373.815 3.853 0 1 FHAF O=C([C@@H]1CC(Cc2ccc(F)cc2)=NO1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 12034332 HLJHNAWKIMEWRJ-HECOIAHBSA-N 356.441 3.550 0 1 FHAF COC(OC)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 169327078 DIZBMHHTGSTLCD-UHFFFAOYSA-N 355.419 3.749 0 1 FHAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)s1 201454057 WKGZXRIGXKGVAJ-UHFFFAOYSA-N 362.476 3.766 0 3 FHAF S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccn1 598396 YHTARKSWJCMIGT-UHFFFAOYSA-N 354.523 3.670 0 1 FHAF NC(=O)c1cccc(Cn2c3c(c4cccc(C(=O)O)c42)CCCCC3)c1 3961887 GKBQRPKZHUFGOB-UHFFFAOYSA-N 362.429 3.756 0 1 FHAF investigational Cc1cc2cc(CCNC(=O)CCCc3ccccc3)c(=O)[nH]c2cc1C 4032769 GODUYIBRAKUZNH-UHFFFAOYSA-N 362.473 3.827 0 3 FHAF Cn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Oc3ccccc3)nc21 4238329 XWFZVVQIKOWJQU-UHFFFAOYSA-N 364.792 3.836 0 1 FHAF Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)(C)C)cc1 28889847 YBLAYGHYSZAEPB-UHFFFAOYSA-N 363.465 3.977 0 1 FHAF CCN(CC)P(=O)(OCC[C@H]1NC(C)(C)C[C@H](C)O1)N(CC)CC 26825304 RFOMUBCBDXWDIM-HOTGVXAUSA-N 363.483 3.688 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc([C@H](C)N(C)C)cc1)C2 28124601 RHJZVHBZRMYJOI-RBZFPXEDSA-N 355.434 3.513 0 1 FHAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(c3ncccn3)C[C@H]2C1 29127795 LWUYMBKCCILSCM-IRLDBZIGSA-N 360.505 3.655 0 1 FHAF CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C(=O)[C@H](N)CC(C)C 36215537 YICPFUCSYSAEOE-RJJVWVDVSA-N 358.526 3.597 0 1 FHAF CC(C)[C@@H]1COCCS(=O)(=O)N1Cc1ccccc1-c1ccccc1 72134193 CMVPXSZPOWSMIW-FQEVSTJZSA-N 359.491 3.540 0 1 FHAF O=C1CCc2ccc(OCCCCN3CCc4ccccc4C3)cc2N1 138813604 WKRADRDLWGKBQG-UHFFFAOYSA-N 350.462 3.789 0 1 FHAF Oc1nc(CN2CCCCC2)nc2c1oc1ccc(Br)cc12 84708262 XPRWPAHCXZUIPP-UHFFFAOYSA-N 362.227 3.830 0 1 FHAF COc1ccc(NC(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1 49112879 NUSBJYHCMKRMHL-UHFFFAOYSA-N 374.404 3.683 0 1 FHAF CC(=O)Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cc(F)cc(F)c1 43022182 ISINYRHGAOAMGJ-PBHICJAKSA-N 365.399 3.706 0 1 FHAF O=C(N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1ccccc1 199358041 YAQJYIXLCXAEAW-GOSISDBHSA-N 356.853 3.651 0 3 FHAF C/C=C(\C)C(=O)OC(C)(C)[C@@H]1Cc2c(cc3oc(C)cc(=O)c3c2OC)O1 238736421 KAGWZYJXIXLTRQ-ZBZNSMLMSA-N 372.417 3.702 0 1 FHAF Cc1ncsc1[C@@H](c1ccc(F)cc1)n1cc(-c2cccnc2)nn1 95557371 WJVGTELOFINAHQ-QGZVFWFLSA-N 351.410 3.882 0 1 FHAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@H]1COc2cnccc21 146509278 HROAYDAYKAMFFW-LBPRGKRZSA-N 356.731 3.546 0 1 FHAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2c(c1)OCCO2 95589196 XGKDISZPYWHGMB-QGZVFWFLSA-N 356.809 3.809 0 1 FHAF O=C(/C=C\c1nc2cc(C(F)(F)F)cnc2[nH]1)Nc1ccc(F)cc1 587167123 MWBDFZKVWWDQAL-WAYWQWQTSA-N 350.275 3.768 0 1 FHAF C[C@]1(c2ncc(F)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340216 XJRKUYBIBNTVIP-XLIONFOSSA-N 368.339 3.735 0 1 FHAF C[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccccc1C(F)(F)F 587096483 BWRYFMQNMPWJLE-SNVBAGLBSA-N 358.327 3.709 0 1 FHAF Cc1c(Br)cc2nc(-c3nc(Cl)cnc3N)[nH]c2c1C 587088448 WPZHFKPWRZCEMO-UHFFFAOYSA-N 352.623 3.635 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(CC(=O)O)c3ccccc13)O2 587392260 YBOPDWUVWHSEPS-SFHVURJKSA-N 364.401 3.631 0 1 FHAF Oc1nc2cc3nc(-c4csc(-c5ncccc5Cl)n4)[nH]c3cc2[nH]1 587017099 GVYDOAQFMIHELF-UHFFFAOYSA-N 368.809 3.984 0 1 FHAF COc1cncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587776974 ZOQGBEBCCDFTBE-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3cc(F)ccc31)CC2=O 587472657 UCUREQXVDVYPFR-FQEVSTJZSA-N 356.349 3.654 0 1 FHAF Sc1nnc(SCc2nc3cc(Cl)c(Cl)nc3[nH]2)s1 587025510 NMQYZVMKICAZQL-UHFFFAOYSA-N 350.281 3.697 0 1 FHAF Nc1ncnc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159913 YKQKHQZGDZHLGT-OAHLLOKOSA-N 369.787 3.896 0 1 FHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cccnc1 587623671 LPCGKYYEHXMRAQ-UHFFFAOYSA-N 355.195 3.741 0 1 FHAF COc1ccc2cc([C@@H](C)c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)ccc2c1 587934750 NRGUCJZEHVPMEL-SECBINFHSA-N 353.813 3.684 0 1 FHAF CCOC(=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 587177657 SERJUAABIDUIGV-UHFFFAOYSA-N 354.385 3.541 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(OC)cc1F)[C@@H](C2)C3=O 587424964 YSXSUKBDGDDGAU-RNODOKPDSA-N 358.365 3.514 0 1 FHAF COc1cc(C(=O)O)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524329 LZLDPSHKTLNAKR-LJQANCHMSA-N 352.386 3.979 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(/C=C\C(=O)Nc3ccc(F)cc3)nc2c1 587167401 SNVQRICEKHTEIN-SREVYHEPSA-N 373.771 3.794 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCCC(=O)O)c1)O2 587402234 WFDCPZBHHPBNRQ-GOSISDBHSA-N 355.390 3.527 0 1 FHAF Fc1c(Br)ccc2nc(Cc3csc4nccn34)[nH]c12 587039980 IKNLTVJGECICOU-UHFFFAOYSA-N 351.204 3.765 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cnc2ccccc21 587872418 XTGNOFBSDFNMEU-UHFFFAOYSA-N 364.380 3.778 0 1 FHAF COc1ccc(C[C@@H](C)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1OC 587926735 OJPPAJRBMUFMIU-SECBINFHSA-N 366.343 3.687 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cccnc2[nH]1 587592888 ZALRIPCUSHKRFH-FXAWDEMLSA-N 358.353 3.971 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C=C(NC)NC)(c2ccccc2C)N1 962961674 XZGQDXIXBLDPSK-OSPHWJPCSA-N 374.532 3.924 0 1 FHAF COC(=O)[C@@H]1SC(SC)=NC12c1ccccc1Nc1ccccc12 5596504 HWVFAJWANTUVNW-HNNXBMFYSA-N 356.472 3.995 0 1 FHAF CCOC(=O)c1cc2c3c(c(C(C)=O)c(O)c2[nH]1)N(C[C@@H](C)CC)CC3 5846365 HYFRXVTYVNFIKK-NSHDSACASA-N 358.438 3.661 0 1 FHAF CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=C(C)/C2=C(/O)OC)cc1 17532632 YHZCNBBIUJDVFL-WENBPLFZSA-N 372.465 3.954 0 1 FHAF O=C(Nc1cccc2c1C[C@H](O)C2)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 169704952 HQLJSFBVHMPCSV-FHLIZLRMSA-N 354.425 3.743 0 1 FHAF C[C@@H](O)CSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1 1857620917 BVXCJAGSMKQLOW-CYBMUJFWSA-N 350.447 3.889 0 1 FHAF Cc1ccc(N(C)C(=O)c2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1 1857647768 BFUVXHIKTHZHOZ-OAHLLOKOSA-N 363.461 3.605 0 1 FHAF CCCCC[C@H](O)C=C[C@H]1[C@H](CCCCCCC(=O)OC)C(=O)C[C@H]1O 2356442804 QLPYHQHJKMTHED-CGBFIWBNSA-N 368.514 3.564 0 1 FHAF CC=CC=CC=CC(=O)O[C@@H]1C=C[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 2356382022 KKQZGPSOJHPQNX-HQMSXXKGSA-N 360.494 3.713 0 1 FHAF CN(C)[C@H]1CCN(c2ccc(NC(=O)NCCCc3ccccc3)cc2)C1 28126952 MKWGPLWTVPTPPD-NRFANRHFSA-N 366.509 3.581 0 1 FHAF COc1ccc2c(c1)[C@H](NCCN1[C@@H](C)CC[C@@H]1C)c1cccnc1CO2 22441285 WOQWGJMYJPOTGT-PONJGIIJSA-N 367.493 3.534 0 1 FHAF CC(=O)NCCc1c(-c2cccc(CO)c2)oc2ccc3c(c12)CCCO3 103234082 SSEHBMFHZIEWLL-UHFFFAOYSA-N 365.429 3.596 0 1 FHAF COc1cc(C(=O)c2[nH]c3cc(Cl)ccc3c2N)cc(OC)c1OC 29136277 ACWYBQUVCXTSSF-UHFFFAOYSA-N 360.797 3.660 0 1 FHAF COc1ccc2c(c1)[C@@H](NCCN(C(C)C)C(C)C)c1cccnc1CO2 26840886 VWKIAYZFXKMFHJ-QFIPXVFZSA-N 369.509 3.780 0 1 FHAF CCc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Sc1ccc(Cl)cc1 28765004 FAAJJBSXYSZVHI-UHFFFAOYSA-N 373.865 3.596 0 1 FHAF CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(F)cc3C)[nH]n2)cc1 61905906 VJBMCCFSVUTZLN-UHFFFAOYSA-N 352.369 3.735 0 3 FHAF CC[C@H](CO)Oc1cc(NCc2ccccn2)c2ncn(C(C)C)c2c1 61948923 YWGXYXBFXGALDA-MRXNPFEDSA-N 354.454 3.774 0 3 FHAF CCCCC[C@H](O)CC[C@H]1SCC(=O)N1CCCCCCC(=O)O 59866790 SDYAOZOEQDVQPX-DOTOQJQBSA-N 359.532 3.644 0 1 FHAF CCCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1ccco1 82142046 PJDRILPKEBJLTC-UHFFFAOYSA-N 350.422 3.879 0 1 FHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4Nc5[nH]ncc5C[C@]4(C)[C@@H]3CC[C@]12C 195490313 TXIDYABROZTEFW-FTHRUDGRSA-N 357.498 3.921 0 1 FHAF N[C@H](CNc1nc(-c2ccncc2)nc2ccsc12)Cc1ccccc1 223686615 WHZWHOGSPKRRAE-INIZCTEOSA-N 361.474 3.735 0 1 FHAF CN(C)CCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144805856 CQLREDPVOVHISA-GOSISDBHSA-N 351.368 3.796 0 1 FHAF COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccco4)c32)cc1 96940443 IZAAPPPGNNSEMR-UHFFFAOYSA-N 354.387 3.542 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2C[C@H]1c1ccccc12 253654699 CCNUQTMMRGAWTF-QBMUGXQSSA-N 364.445 3.814 0 1 FHAF COc1cc2cc3c(cc2c2c1-c1ccc4c(c1CN2C)OCO4)OCO3 34648114 AWGQKAVYOCAILT-UHFFFAOYSA-N 363.369 3.923 0 1 FHAF biogenic NS(=O)(=O)c1ccc(OCC(c2ccccc2)c2ccccc2)cc1 299868907 SQRBDZHKOWRCJO-UHFFFAOYSA-N 353.443 3.545 0 1 FHAF COc1ccc([C@@H](CC(=O)N[C@H]2CC[C@H](O)CC2)c2ccccc2)cc1 299872939 OKJMWXGXFCVIRY-ZJOUEHCJSA-N 353.462 3.637 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cccc(C(F)(F)F)c2[nH]1 587225830 VDVPXUMBVDOIJR-NSHDSACASA-N 363.339 3.665 0 1 FHAF COC(C[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC 587797878 YDSJSOVIJKHNOG-GTNSWQLSSA-N 374.294 3.983 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCCN(C)C)[C@@H](C2)C3=O 587428549 JVTBDFYGEOLVCB-JTSKRJEESA-N 367.445 3.514 0 1 FHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Cl)cnc2[nH]1 586973874 RSFFLZNGJDFKNE-OAHLLOKOSA-N 360.870 3.722 0 1 FHAF C[C@@]1(CS(=O)(=O)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532582 PDNOMYPHMYFJGF-NRFANRHFSA-N 370.470 3.763 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc4ncnc(Cl)c4s1)[C@@H](C2)C3=O 587452556 OCLGVHHRBXDLRT-BJOHPYRUSA-N 358.806 3.842 0 1 FHAF Cc1cc(C)c2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2c1 586928897 NQTHJRZVTYVMJO-UHFFFAOYSA-N 363.870 3.654 0 1 FHAF Cc1ccccc1C(=O)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603155 NAJBFOJXNMNAPT-AVRDEDQJSA-N 360.365 3.914 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OC1CCOCC1)O2 587413120 PXYUQQWXGCIDSY-HXUWFJFHSA-N 353.418 3.842 0 1 FHAF Cc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1C 587590091 XRANRXMYOAUGNM-UTKZUKDTSA-N 362.385 3.810 0 1 FHAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3CCCC(=O)CC3)nc2c1 586883917 INSHUKBEHMMXLX-SECBINFHSA-N 365.227 3.729 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCC(=O)O)c1)CC2=O 587481550 NGKQUNAYIHDYFV-IBGZPJMESA-N 370.401 3.905 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1cncc(F)c1 587567835 FKAWHGVVTLSMFG-IEBWSBKVSA-N 365.360 3.889 0 1 FHAF Brc1c[nH]c2nc(-c3ccc(-c4nccs4)s3)nc-2n1 587023031 CILLGGORYYXRHU-UHFFFAOYSA-N 364.253 3.919 0 1 FHAF CN(Cc1nc2cc3ccccc3cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170048 MZPJRJQGFGIQGW-UHFFFAOYSA-N 369.421 3.676 0 1 FHAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586962168 OWWWMORWRPNJFG-RXMQYKEDSA-N 373.335 3.652 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)nn1 587554441 XSWTUTSKTWKBHE-CRAIPNDOSA-N 354.749 3.539 0 1 FHAF Nc1cccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555303 GGGWSIBKIQSVMI-PXNSSMCTSA-N 351.333 3.816 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(F)c1 587567501 AZKLFVPVEJUWMA-FXAWDEMLSA-N 352.317 3.940 0 1 FHAF Oc1ncnc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587152036 WULXMTFDTGBEHH-OAHLLOKOSA-N 354.316 3.505 0 1 FHAF COC(=O)[C@H]1c2nc3ccc(O)c4c3c(c2C[C@H]1C)-c1ccccc1C4=O 586990880 HHIYYNFKLWCACF-QLJPJBMISA-N 359.381 3.601 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]31CCCC[C@H]1C(=O)C(C)C 963035237 MXHVKYZSMORZLS-HTAPYJJXSA-N 352.478 4.000 0 1 FHAF COc1ccc2c(c1)[C@@](C)(c1ccc(-n3ccnn3)cc1)N(C(C)C)CC2 962090549 LPQIZLDLSYPMBW-JOCHJYFZSA-N 362.477 3.806 0 1 FHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@H](C)C(F)F)c2cn1)c1ccccc1 1772649396 OVUKIWHNSTXGOX-GHMZBOCLSA-N 374.395 3.906 0 1 FHAF CSCCCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167559167 YZBBGGUDMYAECY-UHFFFAOYSA-N 369.490 3.717 0 1 FHAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1=O 200050083 JRCIQNHUWNHWOY-LJQANCHMSA-N 372.415 3.584 0 3 FHAF CCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3F)c2)nn1 1857612162 QAYVSYXWOGJPFE-UHFFFAOYSA-N 374.441 3.550 0 1 FHAF F[C@@H]1CN(CC2CC2)C[C@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 2356316601 ANLHVKXHTIGBRS-IUODEOHRSA-N 357.351 3.531 0 1 FHAF O=C(O)C1=CC[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356400638 FIWGUWJZNRWGNC-OFQRCMJLSA-N 350.414 3.673 0 1 FHAF O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCCC[C@@H]1O 103205805 JSGSCRWSGFLCOR-QWHCGFSZSA-N 371.808 3.794 0 1 FHAF Cc1cc(CCCOc2c(C)cc(-c3noc([C@H](C)O)n3)cc2C)on1 26492456 BFYCTVXIVXKTSL-AWEZNQCLSA-N 357.410 3.715 0 1 FHAF CCCn1cc(-c2nc3c(C)[nH]n(-c4ccc(OC)cc4)c-3n2)c(C)n1 103593720 MCPFQHGTIYGNMT-UHFFFAOYSA-N 350.426 3.599 0 1 FHAF O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)c1ccccc1)c1ccccc1 101644909 CAELFFAMXVUOKR-BQJUDKOJSA-N 351.446 3.572 0 1 FHAF in-vitro O=C(c1ccc(Cl)cc1)N1C[C@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356299145 ZEJCPZHFDUJKTD-WMLDXEAASA-N 373.815 3.596 0 1 FHAF CC(=O)N[C@@H](CSC/C=C(/Cc1ccccc1)c1ccccc1)C(=O)O 72116400 OFZOJFXFMMJKKC-CBXNMNPBSA-N 369.486 3.635 0 1 FHAF C[C@@H]1Oc2cc3occ(-c4ccc(O)cc4O)c(=O)c3c(O)c2C1(C)C 13341329 ZAJXQDVTLMBORN-VIFPVBQESA-N 354.358 3.635 0 1 FHAF biogenic OCc1cc(Cl)ccc1-c1noc(-c2occc2Br)n1 43019971 CRSYVKZOLZPJKV-UHFFFAOYSA-N 355.575 3.905 0 1 FHAF C[C@@H](Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1 40412325 ODUXBNOPUCKJQD-NVXWUHKLSA-N 358.869 3.893 0 1 FHAF Cc1ccc2nc(C)c3nnc(-c4cc([C@@H](C)O)ccc4Cl)n3c2n1 145736228 PIORYLQQPPKALN-LLVKDONJSA-N 353.813 3.663 0 1 FHAF CCOC(=O)c1nn(C(=O)c2ccccc2)c2ccc(Br)cc12 96273878 BDWKRWRGCRWVEY-UHFFFAOYSA-N 373.206 3.664 0 1 FHAF O=C(CCc1c[nH]c2ccccc12)N1CCN(c2noc3ccccc23)CC1 653704614 ONHKIIVXDGASGN-UHFFFAOYSA-N 374.444 3.591 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncccc1C(=O)O 587862970 NLDPGQBXSYSUBQ-UHFFFAOYSA-N 363.295 3.660 0 1 FHAF C=C1Nn2c(nc(C)c2[C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)S1 587497352 CCCADJROYJTOSN-HNNXBMFYSA-N 357.435 3.677 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn3cccc(Br)c3n1)O2 587374332 WTUDYSCXGCVHFB-HNNXBMFYSA-N 372.222 3.694 0 1 FHAF COCC[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599658 YMNJACGVHLADQI-FIKMYACPSA-N 354.402 3.929 0 1 FHAF COCCCOc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441789 MSHLQCMNZZAOIY-IERDGZPVSA-N 354.402 3.599 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1NC(=O)OC(C)(C)C)O2 587391527 UZCYBLNSMBUGPH-OXJNMPFZSA-N 360.454 3.749 0 1 FHAF Cc1ccc2c3c(cc(CCN4CCOCC4)nc13)-c1ccccc1C2=O 587096584 IEEYMPROJPKTTJ-UHFFFAOYSA-N 358.441 3.629 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2N)N1 587728932 UIJRHKCKTWGYPJ-VPTHRUTESA-N 353.210 3.933 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2cnn(C)c2)C1(C)C 587481015 XIGYMLJNRZUKNO-KKSFZXQISA-N 354.450 3.996 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587230646 WBATZOAWUBSRQK-SFHVURJKSA-N 358.405 3.961 0 1 FHAF CCc1cc(OCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1Cl 587052706 IWRYHDWODHWAHQ-UHFFFAOYSA-N 357.797 3.689 0 1 FHAF Oc1nc(NCc2ccccc2)c2nc(-c3ccc(F)c(F)c3)nc-2[nH]1 587145942 WICOERNPVSCRSH-UHFFFAOYSA-N 353.332 3.567 0 1 FHAF COc1ccc(CCCc2nc3cc(OC)c(OC)cc3[nH]2)cc1OC 587925206 KABWHRPBUNFPFE-UHFFFAOYSA-N 356.422 3.773 0 1 FHAF Nc1ccc(/C=C/c2nc3cccc(I)c3[nH]2)cc1 587251933 ROSGGLIJAFCZOB-RMKNXTFCSA-N 361.186 3.920 0 1 FHAF COC(=O)c1cc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2cc1OC 587138815 RHQYKRKZTDUGFY-UHFFFAOYSA-N 364.323 3.561 0 1 FHAF CC(C)[C@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583712 WYSYRYJUSNXEPN-RXVVDRJESA-N 364.401 3.645 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ncccc3C2)N1 587779378 RICMUVYNVWKXBN-BBATYDOGSA-N 361.258 3.902 0 1 FHAF C[C@@H]1C[C@@]2(CN1C1CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343926 LFOLAUHCYNDAOX-XOJPMGEXSA-N 367.420 3.886 0 1 FHAF CCOC(=O)CC[C@]1(c2ccc(Cl)s2)NCCc2ccc(O)cc21 963341162 MAKNZPOZJGRBPO-SFHVURJKSA-N 365.882 3.840 0 1 FHAF Nc1ccc2c3c1C1(C=C(C(F)(F)F)OC(C(F)(F)F)=C1)N(CC3)C2 962963956 XQWQJWSHPMUZQI-UHFFFAOYSA-N 362.273 3.758 0 1 FHAF COc1ccc2c(c1)c1c(NCCCN3CCCC3)ncc(C)c1n2C 5161442 JPIHFCZKWVYKMA-UHFFFAOYSA-N 352.482 3.941 0 1 FHAF CC(C)c1ccc(CN2CCC[C@@]3(CCN(C4CCOCC4)C3)C2=O)cc1 12597106 SEVRABLTHCLCGK-QHCPKHFHSA-N 370.537 3.804 0 1 FHAF O=C1c2ccccc2C2=NC(=S)N[C@@H](c3cccc(Br)c3)[C@@H]12 169726053 UBOVKIKFCZBYPU-KGLIPLIRSA-N 371.259 3.680 0 1 FHAF COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@H](F)C2)cc1OC 201045363 ZXYWYJJXNBKBPI-RCCFBDPRSA-N 351.462 3.618 0 1 FHAF COC(=O)[C@H](CC(C)C)NC(=O)/C=C/C1=C(Cl)c2ccccc2CC1 1857565174 IOQMBAHERXPQNM-DVQDXYAYSA-N 361.869 3.843 0 1 FHAF CC[C@H](C)C(=O)c1c(O)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)[C@@H](O)C2=O 1857592000 SBOSKCSYCGVWKT-OVWNDWIMSA-N 374.433 3.520 0 1 FHAF CCCCn1c(=O)c([C@@H]2CNC(=O)c3ccccc3N2)cc2ccccc21 1857634153 VUWRHAPMZCDUSN-IBGZPJMESA-N 361.445 3.698 0 1 FHAF CCCCN=c1cc(C(C)C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)n[nH]1 1857637149 YIRUNGRUPPDHPT-UHFFFAOYSA-N 370.541 3.933 0 1 FHAF COc1cc2c(c(OC)c1OC)[C@H](c1ccc(Cl)cc1F)NC(=O)N2 1857639704 SWXMYAJBTOZOJY-AWEZNQCLSA-N 366.776 3.729 0 1 FHAF COc1cc2cc(-c3cc(OC)c(OC)c(OC)c3)cnc2cc1OC 13737705 POMSGMOMTYLNMX-UHFFFAOYSA-N 355.390 3.945 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCO 4213697 CUQZUIVGIAJNPV-IRXDYDNUSA-N 370.852 3.602 0 1 FHAF Cc1cccc2c1cnn2C(=O)CCC(=O)N[C@H]1CCCc2ccccc21 6750228 DHXWVAOAUMRGPT-IBGZPJMESA-N 361.445 3.959 0 1 FHAF O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1c(F)c(F)ccc12 100018498 ZYTFJRSFPBGTLV-UHFFFAOYSA-N 359.307 3.765 0 1 FHAF CC1(C)C(=O)CC[C@H]2[C@@]13C=C[C@H]1[C@@]2(CC[C@]2(C)C(=O)CC[C@]12C)C(=O)O3 2356441012 ZZCFOYQURYOXSX-VBTYURRXSA-N 356.462 3.629 0 1 FHAF CNC(=O)c1ccc(C)c(Nc2nc(C)nc3c2cnn3-c2ccccc2)c1 29048482 XDYZFMGLVBMIQI-UHFFFAOYSA-N 372.432 3.536 0 1 FHAF COc1ccc(N2N=C3c4cc(Cl)ccc4OCC[C@@H]3CC2=O)cc1 103223651 HHJCUNFBSDYKHF-GFCCVEGCSA-N 356.809 3.888 0 1 FHAF O=C(O)c1cnn(Cc2ncc(-c3cccc(C(F)(F)F)c3)s2)c1 115475369 AHFPURQZQCCQAD-UHFFFAOYSA-N 353.325 3.772 0 1 FHAF Cc1ccccc1-c1ccccc1CN1[C@@H](C(C)C)COCCS1(=O)=O 61944771 MPPHSIMUXYOOOP-OAQYLSRUSA-N 373.518 3.849 0 3 FHAF Cc1c(N2C[C@@H](C)C[C@@H](C)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 27553733 ZSBVMWNWLPIDHB-BETUJISGSA-N 354.450 3.825 0 1 FHAF O=C(NCC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1 27987933 QYPNFTDYUOLHRT-UHFFFAOYSA-N 361.489 3.852 0 1 FHAF O=C(CCCN1CCC(Cc2c[nH]cn2)CC1)Nc1ccc(Cl)cc1 28563507 RQEBRRGWINRLJB-UHFFFAOYSA-N 360.889 3.737 0 1 FHAF CC=C(C)C(=O)O[C@@H](COC(C)=O)COC(=O)CCCCCCC(C)C 2356523789 FOAWEIORASVSBJ-SFHVURJKSA-N 370.486 3.967 0 1 FHAF C[C@]12CCCC[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 2356599451 ZYEOCZJSKXSFRT-OMCNTIPVSA-N 374.521 3.604 0 1 FHAF Cc1ccc(C(=O)N2CCC[C@@H]2c2nnn(-c3cccc(Cl)c3)n2)s1 34999322 FMXZIHDJQYBDIL-CQSZACIVSA-N 373.869 3.663 0 1 FHAF O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc2c1=O 43169352 IMLMBMPMFIUNGR-UHFFFAOYSA-N 365.282 3.906 0 1 FHAF O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(O)ccc2F)CC1 294468245 IPBGAERARIKTDP-UHFFFAOYSA-N 361.800 3.920 0 1 FHAF CC(=O)O[C@@H]1C[C@H]2O[C@@]2(C)[C@H]2CC3=C(C)C(=O)O[C@@H]3/C=C(/C)CCC[C@@]21C 238771391 AMEMJFNOQFOHIG-APUIYTBISA-N 374.477 3.864 0 1 FHAF Cc1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)nc2)c1 96937919 SKHSDXFQRUQZAG-UHFFFAOYSA-N 355.401 3.890 0 1 FHAF C[C@H]1CN(Cc2ccc(Cl)cc2Cl)C(=O)C(=O)N1c1ccccc1 95565896 ZVCZABPNHDBZBT-LBPRGKRZSA-N 363.244 3.757 0 1 FHAF CO[C@@H]1CC[C@H]2CN(CCc3ccccc3)[C@H]1CN2Cc1ccccc1 253661021 WYUPWHUGPAKEOJ-RJGXRXQPSA-N 350.506 3.593 0 1 FHAF C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 299821133 VFTOBPQVFABRND-UXJQAVHOSA-N 359.510 3.963 0 1 FHAF C[C@@H](Cc1ccc(Cl)cc1)N1C(=O)CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 299849120 XRMFYWPUUCWBAI-NZUILWFCSA-N 374.868 3.641 0 1 FHAF CCOC(=O)Cc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1F 587385583 PCDWEVQNUCOXPH-NRFANRHFSA-N 371.408 3.703 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@H]2CC3=O)N1 587816867 FEPZQICTRZUQLB-LSGKAKCFSA-N 352.247 3.707 0 1 FHAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587950803 CWFNVNGWKFPPNZ-HSMVNMDESA-N 352.456 3.856 0 1 FHAF COc1cc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2cc1OC 587109029 LCSBTUZYNWWHND-UHFFFAOYSA-N 366.295 3.964 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)([C@H]1CCCNC1)CC2=O 587482863 JTTPAWKGPXCUSZ-OYHNWAKOSA-N 366.461 3.600 0 1 FHAF COc1cc(C)nc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 587862988 OJXMOAHOELUHNO-UHFFFAOYSA-N 364.327 3.674 0 1 FHAF Cc1nc2ccccc2c([C@]2(C)NCCc3c2c(C(C)C)nn3C)c1O 962919635 QCIBHJICDUMUJR-NRFANRHFSA-N 350.466 3.515 0 1 FHAF COc1ccc(CO)cc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772608511 CJBKKHMAHRHMCY-KRWDZBQOSA-N 369.442 3.918 0 1 FHAF COc1ccccc1C(=O)N(C)CC1(c2ccccc2)CCC(=O)CC1 13488534 KEMPAKJLWYEOFS-UHFFFAOYSA-N 351.446 3.848 0 1 FHAF Clc1ccccc1N1CCC(CNC[C@@H]2COc3ccccc3O2)CC1 13799889 CSWPZFOPVQMWKT-QGZVFWFLSA-N 372.896 3.986 0 1 FHAF CCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 13832047 SKBOLJMQAZIFFD-UHFFFAOYSA-N 362.473 3.833 0 1 FHAF O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[N@]1S(=O)(=O)c1ccccc1 1857624203 VYYHECSZIFMLKM-URVUXULASA-N 363.438 3.684 0 1 FHAF c1ccc2c(c1)CCC[C@@H]2Cn1cnc(-c2cc(-c3cnn[nH]3)ccn2)c1 1857766531 IBTSPUCLPNQGKI-QGZVFWFLSA-N 356.433 3.850 0 1 FHAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1 775180 MAWMPCYKQBEDOR-BLLLJJGKSA-N 372.396 3.878 0 1 FHAF CNC(=O)[C@H](C)Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1 29471780 KLROUFYBFJAKAP-NSHDSACASA-N 357.797 3.589 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(S)nn2[C@@H]1c1ccc(Cl)cc1 102285431 MYXIFMGRGBNXHJ-NPRUJURCSA-N 350.831 3.722 0 1 FHAF Nc1cc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)ccc1Cl 114337582 UXMYPZHYVIRZFL-MRXNPFEDSA-N 355.873 3.875 0 1 FHAF COC(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccccc2Cl)no1 61928641 DOHQOROVSNLQSQ-CQSZACIVSA-N 363.801 3.874 0 3 FHAF CCCCCC(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356613189 CCCQPSWDXUUAAQ-JKSUJKDBSA-N 371.481 3.625 0 1 FHAF CC(C)CNc1ncnc2c1nc(CC(C)C)n2CC[C@H]1CCCN1C 82178061 DKPWNVUSVRRDCK-MRXNPFEDSA-N 358.534 3.577 0 1 FHAF c1ccc(CCn2c(-c3ccoc3)nc3c(NCC4CC4)ncnc32)nc1 82180912 HYIFTSBQLFFUSV-UHFFFAOYSA-N 360.421 3.546 0 1 FHAF O=C1CCCC[C@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 40394452 IGFIMXQETAEFKU-GFCCVEGCSA-N 355.765 3.612 0 1 FHAF C/C=C1/CN2[C@H]3C[C@@H]1[C@H](COC(C)=O)[C@@H]2Cc1c3n(C)c2ccccc12 238742105 VUGQJDAMPXXRFW-IFXPVLGPSA-N 350.462 3.605 0 1 FHAF Cc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)c(C)c1 95579498 PZTQTTJVZJBDHT-OAQYLSRUSA-N 367.493 3.652 0 1 FHAF CCCOc1nccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)n1 96173033 MZLSEOSPSBKNNA-OAHLLOKOSA-N 369.465 3.616 0 1 FHAF CCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 96271898 LYGXQSMAAKFUQK-UHFFFAOYSA-N 367.357 3.532 0 1 FHAF COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1[C@@H]2C)OCO4 31519580 LPKAAKHLNGEZJC-ODXCJYRJSA-N 353.418 3.649 0 1 FHAF biogenic C[C@@H]1C[C@H](C(=O)O)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587611337 SGGMNWGCTRJHTB-WWAULLPKSA-N 368.385 3.613 0 1 FHAF Fc1cccc([C@@H]2C[C@H]2c2nc3nc(Br)c[nH]c-3n2)c1F 587152430 NDNZWGPRDRRNAM-JGVFFNPUSA-N 351.154 3.616 0 1 FHAF COc1cncc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587774030 LAXJONSEIUNIRE-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(OC)c1C)[C@@H](C2)C3=O 587441377 FDGFJZZBXVAPAN-BTYIYWSLSA-N 354.402 3.684 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(s1)SCC(=O)N3)O2 587415775 XEPHMZKEEWMKOX-QGZVFWFLSA-N 360.460 3.564 0 1 FHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cncc(Cl)c3[nH]2)cs1 587014514 RZODASGBPLWDAF-UHFFFAOYSA-N 365.846 3.760 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(Cc3cccc(Br)c3C1)O2 587370652 HBXQUXNNFKQSKC-SFHVURJKSA-N 358.235 3.843 0 1 FHAF Cc1c(-c2c[nH]c(C(=O)O)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587623824 QRADXBLETYLKHE-UHFFFAOYSA-N 359.183 3.808 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)N1C[C@H](C)O[C@@H](C)C1)CC2=O 587473995 BLPSVBZIQDKFJO-NJSLBKSFSA-N 361.482 3.566 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C(=O)O)C[C@H]2C)N1 587828143 RSKAXNVKBAESGF-RGXAHSFDSA-N 370.262 3.839 0 1 FHAF COCc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587853250 LRXNAYMRCQCVOK-RTHLEPHNSA-N 371.275 3.815 0 1 FHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccc(OC(F)(F)F)c(F)c2)N1 962906690 YUNNOZPCEOBFEY-ZFWWWQNUSA-N 373.277 3.552 0 1 FHAF C[C@]1(C23CC(C(=O)O)(C2)C3)NC2(CC2)Cc2ccc(Br)cc21 961744928 BBQUFDZMQKKEID-GTPINHCMSA-N 362.267 3.598 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(-c2ccccn2)o1 963612571 SKWOWQSKZZZQOF-YEJXKQKISA-N 350.418 3.982 0 1 FHAF CC(C)n1cnc2c(NCc3ccccc3)nc(/C=C/CCCO)nc21 13834603 MNVIEGNDCWOCAR-YRNVUSSQSA-N 351.454 3.805 0 1 FHAF O=C1c2ccccc2C2=NC(=S)N[C@@H](c3cccc(Br)c3)[C@H]12 169726055 UBOVKIKFCZBYPU-KBPBESRZSA-N 371.259 3.680 0 1 FHAF CN1CCC[C@H]1c1nc2cc(Nc3ccc(C(F)(F)F)cn3)ncc2[nH]1 1857762750 OZOFYBRUOXCBJA-ZDUSSCGKSA-N 362.359 3.882 0 1 FHAF CC1(C)Cc2nc3sc4c(N5CCOCC5)ncnc4c3cc2CS1 2482217 MCGDOEDIUUKKRH-UHFFFAOYSA-N 372.519 3.644 0 3 FHAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=C[C@@H](O)OC1=O 2356392770 OMPUFZJBZRIZHJ-AZFZUWSMSA-N 362.466 3.520 0 1 FHAF C[C@]1(C(=O)NCC2CC2)C=CC2(CCCCC2)N1C(=O)c1ccccc1 7992806 QFAWJSWNBLXVGD-OAQYLSRUSA-N 352.478 3.686 0 3 FHAF COc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c(OC)c1 28879043 RIBDJXAYIQCEGU-UHFFFAOYSA-N 362.385 3.878 0 1 FHAF O=C(CCCC(=O)Oc1ccc(/C=C/[N+](=O)[O-])cc1)Nc1ccccc1 26183866 GLQDOKOXZHCCCL-BUHFOSPRSA-N 354.362 3.648 0 1 FHAF C[C@]1(C(=O)Nc2cnc3ccccc3c2)CCN1CCOc1ccccc1 61898756 UOTWFJDZWBUBLO-JOCHJYFZSA-N 361.445 3.717 0 3 FHAF O=C(O)C[C@H]1C[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1 28648091 DPFLAGDMGNKRSD-VQIMIIECSA-N 352.434 3.639 0 1 FHAF Cc1cccc(NC(=O)[C@H]2C(=O)N3c4ccccc4Cc4cccc2c43)n1 26164128 HSCLGBUAHNYJAN-IBGZPJMESA-N 355.397 3.695 0 1 FHAF CO[C@]12C[C@@H]3CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]3(C)CC1=C(C)C(=O)O2 2356688709 JRMPASZWXGEACK-GBLDMPDPSA-N 362.466 3.927 0 1 FHAF Cc1ccc2cc3cc(C(=O)NC[C@H]4COc5ccccc5O4)oc3nc2c1 20209571 KUQNGPBZRHEBBM-INIZCTEOSA-N 374.396 3.859 0 1 FHAF C[C@@H]1C/C=C/CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 70462962 MAIXLHSZNVDUIV-JOAKQRRISA-N 352.814 3.928 0 1 FHAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3oc4ccccc4c3C)C[C@@H]12 74378685 TVHZPSDZERZFAC-IEBWSBKVSA-N 360.413 3.925 0 3 FHAF COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1 72125149 QLZUEQSDNKXKCQ-UHFFFAOYSA-N 350.462 3.802 0 1 FHAF O=C(O)/C=C/c1cn(C(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc12 45291436 VTHRNXFOWMHJHW-KZZDLZNXSA-N 361.353 3.821 0 1 FHAF CC[C@H](C)[C@H]1COc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 45349196 XEJJTQACAMZKNB-QFBILLFUSA-N 359.491 3.993 0 1 FHAF CS(=O)(=O)NCc1cccc(-c2ccc(-c3cccc(O)c3)s2)c1 45254723 AYAKUGUBHMNPLK-UHFFFAOYSA-N 359.472 3.837 0 1 FHAF CC[C@H](C)NC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 82216438 XVXAPGVDCCCSLK-AWEZNQCLSA-N 358.461 3.903 0 1 FHAF O=C(O)CNc1nc(-c2ccccc2)nc2ccc(Br)cc12 40394152 CESQFQOAMZLYEK-UHFFFAOYSA-N 358.195 3.556 0 1 FHAF CC(C)c1nc2c(NCc3ccccc3)ncnc2n1C[C@H]1CCCO1 82221649 ZSUXAVKOUPECNY-MRXNPFEDSA-N 351.454 3.741 0 1 FHAF CCOC(=O)c1c(-c2cccc(F)c2)[nH]c2cc(OC)c(F)cc2c1=O 95555132 BMMBEKDLSVYDCW-UHFFFAOYSA-N 359.328 3.659 0 1 FHAF Cc1cc(C)cc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c1 587650722 RWUWQNZNIMTFRF-UHFFFAOYSA-N 356.447 3.749 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1COc2ccccc2C1 587619836 ZUTOADBWFUCODG-RSDPBLMXSA-N 374.392 3.974 0 1 FHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Cl)ncc2[nH]1 586973623 PSUFVMXQEWFUME-OAHLLOKOSA-N 360.870 3.722 0 1 FHAF CCc1nccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587776532 XULAAWZKCHBBDG-ABKXIKBNSA-N 350.235 3.564 0 1 FHAF Cc1cc(C)n(C[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587765298 SIWWSUSZMAFEGJ-ABKXIKBNSA-N 352.251 3.677 0 1 FHAF NC(=O)c1cccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587163704 RNXJNPCZGBWBCY-UHFFFAOYSA-N 359.360 3.699 0 1 FHAF CC[C@]1(c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587765820 UIWQRSLGQGEILI-QLJPJBMISA-N 352.251 3.510 0 1 FHAF O=C(O)CCCC1(CCCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587529324 NTGKDOPLGVZCSP-UHFFFAOYSA-N 374.433 3.779 0 1 FHAF COc1ccc2c(C)c(CCc3nc4cc(F)cnc4[nH]3)c(=O)oc2c1C 586919221 XFMNWLVOVIOJEP-UHFFFAOYSA-N 367.380 3.614 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccn3)c1Cl)O2 587380276 SKJPIWHPPSUHPD-OAHLLOKOSA-N 368.824 3.826 0 1 FHAF CCc1nccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774931 OJPPZVFJVIFOEJ-JDNHERCYSA-N 350.235 3.564 0 1 FHAF O=C(c1cc(Cl)c(O)c(Cl)c1)n1ncc2ccc(Cl)cc2c1=O 587650917 HMWOKLIHWSXZBK-UHFFFAOYSA-N 369.591 3.751 0 1 FHAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 587935707 UNCSGSDPDJPEGS-UHFFFAOYSA-N 368.458 3.547 0 1 FHAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccncc1)CC2=O 587469986 RKBYNMLVSKZVDX-BGVYSJOJSA-N 352.434 3.676 0 1 FHAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587951822 SUKUJCIISKXPJC-ZDUSSCGKSA-N 356.389 3.832 0 1 FHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccnc1Cl 587659108 XSSHXZRWGQRLMO-UHFFFAOYSA-N 352.756 3.635 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2CC2CC2)N1 587755594 BAQHMVKPKVNOBQ-BMLIUANNSA-N 364.262 3.818 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@H](C)NC)CC2=O 587469489 ILNNXZFQCXWCNV-RCDICMHDSA-N 369.461 3.822 0 1 FHAF CCS(=O)(=O)c1ccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2c1 587022514 ZGSORBRZYWSKCV-UHFFFAOYSA-N 372.475 3.784 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3CCCC3=O)c1)O2 587396704 VRSWVYAECMODSC-NRFANRHFSA-N 350.418 3.585 0 1 FHAF CCN1C[C@H](C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347830 VDFRIIVSQCZHQX-DRWCTHJISA-N 355.409 3.601 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ccccc2)(c2ccsc2)N1 962896253 LRKCFZZVUYUUPA-FXAWDEMLSA-N 353.418 3.778 0 1 FHAF CC[C@@]1(C(C)C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963140267 JTDRGLYUDDHEJA-SJKOYZFVSA-N 354.472 3.651 0 1 FHAF O=C(O)c1cccc2c1CCN[C@@]2(C(F)(F)F)C(Cl)(Cl)Cl 963124395 QDTVODRDLCLFMT-SNVBAGLBSA-N 362.562 3.658 0 1 FHAF CNC(=O)c1cc(Oc2ccc3ccc(C(=O)OC(C)C)cc3c2)ccn1 1772643266 KXTZMMUCTWSLDY-UHFFFAOYSA-N 364.401 3.952 0 1 FHAF COc1c(Cl)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@H]1CCO[C@@H]1O4 13374547 JLTNUBHYPWOYAB-LWESTGQBSA-N 360.749 3.536 0 1 FHAF biogenic O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC(C1CC1)C1CC1)N1CCCC1 13756429 FIPSRSWXODXFAG-IHPCNDPISA-N 358.526 3.595 0 1 FHAF CC(C)CONC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166183460 OJXGJQNJGRKDRG-UHFFFAOYSA-N 353.422 3.552 0 1 FHAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2cncnc2)ccn1 205905355 XZFNGSFLLMPSFP-UHFFFAOYSA-N 360.295 3.690 0 1 FHAF CC(C)(C)c1ccc(OCCCCN2CCN(c3cnccn3)CC2)cc1 1857749393 OSZKNJNQGCOPFS-UHFFFAOYSA-N 368.525 3.755 0 1 FHAF CC(C)(C)c1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1 302736050 IAUROXDHXLNNCP-UHFFFAOYSA-N 353.510 3.970 0 1 FHAF CS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3c2CCCC3)cc1 27655948 XOWMWHDYXOHIHR-UHFFFAOYSA-N 370.449 3.961 0 1 FHAF CCOC1(OCC)[C@@H]2c3cc(OC)ccc3[C@H]([n+]3ccccc32)C1(C)C 100714701 AIUHBWFVRAAPLW-UXHICEINSA-N 354.470 3.827 0 1 FHAF CCCCCS[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 29307068 LISNTBIRDAZVIC-CXAGYDPISA-N 355.454 3.756 0 1 FHAF C[C@@H](CN1C(=O)c2ccccc2C1=O)OC(=S)Nc1ccc(Cl)cc1 28522009 WFPXVABASCSJGH-NSHDSACASA-N 374.849 3.738 0 1 FHAF O=c1c2ccccc2nc(-c2cc(O)ccc2O)n1CCc1ccccc1 28332245 MTSRFYNEWLVKCO-UHFFFAOYSA-N 358.397 3.717 0 1 FHAF C[C@H]1CN(CCCCNC(=O)C(C)(C)C)CCN1c1ccc(Cl)cc1 28231507 DVOIVAFOLPZGOP-INIZCTEOSA-N 365.949 3.793 0 1 FHAF O=C1N(CC2CCCCC2)c2ccccc2[C@]1(O)c1ccc2c(c1)OCO2 71334998 ASNCRDOBAMOBQX-JOCHJYFZSA-N 365.429 3.578 0 1 FHAF CC1=C(C(=O)OC(C)C)[C@@H](c2cncs2)N2C(=N1)Nc1ccccc12 1911576505 KRSQZHKUOHYYOO-MRXNPFEDSA-N 354.435 3.712 0 1 FHAF OCCN(Cc1ccccc1)c1cc(Oc2ccccc2Cl)ncn1 82067408 WMWGOYQSAFRQDL-UHFFFAOYSA-N 355.825 3.921 0 1 FHAF COc1ccc2cc([C@@H]3OC(c4ccc(C)nc4)=NN3C(C)=O)ccc2c1 96935247 KSJVKUZXKHSLMN-NRFANRHFSA-N 361.401 3.791 0 1 FHAF CO[C@]1(C)CC/C=C(\C)CCC2=C(C)C(=O)O/C2=C/[C@](C)(O)CC[C@H]1O 238784440 KEFOKZIMLWOHOY-JPQFSOJASA-N 364.482 3.561 0 1 FHAF C/C=C1/CC[C@@H]2[C@H]3CC=C4[C@H](O)[C@@H](O)[C@@H](C)C[C@]4(C(=O)O)[C@@H]3CC[C@@]12C 621430884 HYXXWAGSSHVTHD-ABDZSLJPSA-N 360.494 3.538 0 1 FHAF COC(=O)C(C)(C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587803454 AQRVAPFKTBFXHK-JDNHERCYSA-N 358.251 3.537 0 1 FHAF CCOC(=O)c1c(-c2cccc(F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650522 YVWLMFFAYJBNKZ-UHFFFAOYSA-N 361.394 3.554 0 1 FHAF Oc1nc(O)c2ccc(-c3cccc(CCC(F)(F)F)c3F)nc2n1 587369302 ZNTMZUSWLSXTTJ-UHFFFAOYSA-N 353.275 3.737 0 1 FHAF CC1(C)[C@H](C(=O)O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355452 UYWFIRUIRINTMI-HZUJVAHNSA-N 370.376 3.760 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1sc(N4CCCCC4)nc1C)[C@@H](C2)C3=O 587453453 WNWARMJPSGFXOC-KSSFIOAISA-N 370.474 3.939 0 1 FHAF CCc1ccc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587392143 XFSUOLZKOBCVAI-OAQYLSRUSA-N 352.434 3.892 0 1 FHAF COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587422465 PSANWAKFWAFFNT-FZKQIMNGSA-N 358.777 3.624 0 1 FHAF CCOc1ccc(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl 587937307 PVJACAUJYWAMNG-UHFFFAOYSA-N 374.618 3.784 0 1 FHAF COc1ccc(-c2[nH]c3cccc(F)c3c2NC(=O)CCC(=O)O)cc1 587635822 UGMDCGKNDRYFAJ-UHFFFAOYSA-N 356.353 3.786 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c1ccc(F)c2C 587465483 DLBWYNZDWYKARX-HXUWFJFHSA-N 355.365 3.605 0 1 FHAF C[C@]1(Cc2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340421 SQPGMXPYJKDBHY-PZJWPPBQSA-N 364.376 3.682 0 1 FHAF Cc1onc(-c2nc3c(O)nccc3[nH]2)c1COc1ccccc1Cl 587062866 BUFHRQOLORTWJW-UHFFFAOYSA-N 356.769 3.859 0 1 FHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2ncco2)(C2CCCCCC2)N1 962903537 MMZXEAJADGYDTC-FXAWDEMLSA-N 358.413 3.627 0 1 FHAF CC(C)c1nn(C)c2c1[C@](c1ccccc1)([C@@H](O)c1ccccc1)NCC2 962922400 WRHGUBXBIIQULD-XZOQPEGZSA-N 361.489 3.666 0 1 FHAF C[C@H](NC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21)c1ccccc1 5073450 ICTBDBCAXHEKBE-HNNXBMFYSA-N 366.461 3.587 0 1 FHAF COc1cc(O)c([C@H]2COc3cc(O)cc(O)c3C2=O)cc1CC=C(C)C 14762869 KQGTWGSNAAKPFF-OAHLLOKOSA-N 370.401 3.680 0 1 FHAF biogenic,in-vitro COC[C@H](OC(C)=O)[C@@H]1OCc2ccccc2[C@H]1C=Cc1ccccc1 1857622901 SSAJXUFJYJHGDQ-BHIFYINESA-N 352.430 3.961 0 1 FHAF COc1ccccc1C=CCN1C[C@@H]2CCC[C@H](C1)[C@]2(O)c1cccnc1 1857627052 GPOIPVRAQNIIHX-IUTQVRIDSA-N 364.489 3.723 0 1 FHAF CC(C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 2469310 RGPQSUQEYRDNEV-UXHICEINSA-N 361.445 3.603 0 1 FHAF CCNCCCOc1ccc2c(c1)CN(C)C[C@@H]2c1ccc(OC)cc1 28818083 RBJDHCDYYMNJHT-JOCHJYFZSA-N 354.494 3.651 0 1 FHAF CO[C@H](Cc1scnc1C(=O)Nc1nccs1)C1CCCCC1 28468976 VOSYSMVHLJUPGE-GFCCVEGCSA-N 351.497 3.990 0 1 FHAF CC(C)NCCC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 28219311 XTMJFEOZTHUWOE-LJQANCHMSA-N 351.494 3.591 0 1 FHAF COC(=O)/N=c1\[nH]c2ccc(C(=O)OCC[C@H](C)CC(C)(C)C)cc2[nH]1 27629628 XIBHZGZYJAVFGH-LBPRGKRZSA-N 361.442 3.782 0 1 FHAF CCCOC[C@@H](O)CCC[C@H](CCCc1ccc(C(=O)O)cc1)C(C)=O 27100722 SSUNVEZQHXROLL-ICSRJNTNSA-N 364.482 3.871 0 1 FHAF CO[C@@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1 72116667 XHRYSFFNMRUMRJ-NRFANRHFSA-N 369.509 3.755 0 1 FHAF CNCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 38459316 NFSWESOWDXVPBY-FQEVSTJZSA-N 363.509 3.837 0 1 FHAF Fc1cccc(OC(F)F)c1C[C@H](c1ccccc1)N1CCNCC1 49112911 FNRNKAMBXVROAU-QGZVFWFLSA-N 350.384 3.616 0 1 FHAF in-vitro CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)O)co2)cc1 82070464 DFJKETDEPXXRDH-ZDUSSCGKSA-N 360.410 3.504 0 1 FHAF O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@@H]2CNCCO2)cc1Cl 149894547 NZIHRHXPOSUOMI-AWEZNQCLSA-N 367.236 3.693 0 1 FHAF CC(C)(C)NC(=O)[C@@H](C1CC1)n1c(=O)c(-c2ccco2)nc2ccccc21 95567992 UHCZJSSDGOVWBA-GOSISDBHSA-N 365.433 3.522 0 3 FHAF Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCc4ccccc43)nc21 148238685 HTSXWSRQVOMZIM-UHFFFAOYSA-N 350.466 3.865 0 1 FHAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2CC[C@H]2C[C@H]3CC[C@H]2C3)cc1 253642317 VQKLFYFQQYOFJU-MQBSTWLZSA-N 367.537 3.808 0 1 FHAF CC(C)(C)c1ccc(Oc2cccc(Cl)c2CN=c2[nH][nH]c(=N)[nH]2)cc1 473113965 KUWNPBRVGGENHL-UHFFFAOYSA-N 371.872 3.994 0 1 FHAF O=C1CN(Cc2ccc(Br)cc2)C(=O)N1C1CCCCC1 653802229 XXIIUWBVHSOVOA-UHFFFAOYSA-N 351.244 3.546 0 1 FHAF COc1ccc(/C=C\Cc2nc3cc(OC)cc(OC)c3[nH]2)c(OC)c1 587928712 HQIFVJMMWKUIAL-WAYWQWQTSA-N 354.406 3.853 0 1 FHAF CC(C)n1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587579221 CNCVWFUYPGWAEQ-PXNSSMCTSA-N 350.374 3.873 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(Br)nc1)CC2=O 587458456 JGIDTAUUHHVCHD-CQSZACIVSA-N 363.211 3.604 0 1 FHAF COC(=O)c1ccnc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587519343 ZSIXJHUJUYERHR-NRFANRHFSA-N 351.402 3.628 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CC(=O)O)c2c1 587650230 ZSTJSPQGIBUWBU-UHFFFAOYSA-N 363.822 3.519 0 1 FHAF Oc1nc(O)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2n1 587051659 RGJWLGZWJUPXBM-UHFFFAOYSA-N 363.160 3.998 0 1 FHAF Cc1cnc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587588640 RDPPSVVEVQCAGT-UTKZUKDTSA-N 362.385 3.676 0 1 FHAF CC[C@]1([C@@H](C)C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587809971 SMRHLFNTBMSKCP-KCWFYHRYSA-N 358.251 3.537 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC[C@H]4CCCO4)cc1)[C@@H](C2)C3=O 587452579 FIJIVKMPFBZQIS-TVTNDZMWSA-N 366.413 3.742 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](CC(=O)O)[C@H]2C)N1 587825396 CWCWBQOUTBICIO-RGXAHSFDSA-N 370.262 3.839 0 1 FHAF Fc1cc2c(c(Cc3nc4ccc(Br)cc4[nH]3)c1)OCOC2 587171802 SMPHUWUKSJAECV-UHFFFAOYSA-N 363.186 3.922 0 1 FHAF Cc1ccc(NC(=O)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1C 587874219 XSSDFMVBTMNJKL-UHFFFAOYSA-N 351.337 3.691 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H](n4nc(C)cc4C)C1)[C@@H](C2)C3=O 587430466 GHARSDYNVTXXMZ-KUDFPVQQSA-N 352.434 3.810 0 1 FHAF Fc1cc(Br)cnc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587154536 ALRJSCDOWLYAFG-UHFFFAOYSA-N 361.096 3.940 0 1 FHAF CC(=O)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815648 OHCCXHQYCIZBJY-BBATYDOGSA-N 362.242 3.955 0 1 FHAF CC1=C(c2ccc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3c2)NNC(=O)C1 586888713 LSTJQABTTKEQTM-SBUREZEXSA-N 370.456 3.690 0 1 FHAF CC(C)[C@@H](c1nc2c(N)ccnc2[nH]1)N(C)C(=O)OCc1ccccc1 587198794 PNOLPZJVRYREFF-INIZCTEOSA-N 353.426 3.506 0 1 FHAF COc1ccc(NS(=O)(=O)c2ccc3nc(C4=CCCC4)[nH]c3c2)cc1 586883036 FGMVXCFHLVMWQH-UHFFFAOYSA-N 369.446 3.940 0 1 FHAF CC(=O)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587160489 CQOOMGPYXBMRDA-UHFFFAOYSA-N 369.787 3.865 0 1 FHAF CN1C(=O)C[C@H]2CN[C@@]3(CCc4ccc(C(F)(F)F)cc43)c3cccc1c32 963016741 BXNMBIRXZXDQRD-RBZFPXEDSA-N 372.390 3.949 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2ccc(-c3ccccc3F)nc2)N1 962927148 ZUOZPGSALOLLLX-ICSRJNTNSA-N 366.367 3.715 0 1 FHAF Cc1nc(-c2cccc3ccccc23)sc1C(=O)N1CCC(O)CC1 1772632115 OOEUKIAOGVHXPX-UHFFFAOYSA-N 352.459 3.869 0 1 FHAF CCC(=O)N(c1ccccc1)[C@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C 12500936 FRPRNNRJTCONEC-YUXAGFNASA-N 366.505 3.874 0 1 FHAF in-man COC(=O)[C@H]1CN(Cc2ccc(O)cc2)CC[C@@H]1c1ccc(Cl)cc1 13475009 HADDGTXUFMJHIP-MOPGFXCFSA-N 359.853 3.824 0 1 FHAF COc1cc(NC(=O)c2ccc3nc(N4CCCC4)sc3c2)ccn1 169340584 LZVWENFEFQXYFJ-UHFFFAOYSA-N 354.435 3.552 0 1 FHAF C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1 205447267 GFTKHQLRFVCWRX-LBPRGKRZSA-N 373.416 3.860 0 1 FHAF O=c1c2cn[nH]c2c2ccc(Nc3cccnc3)cc2n1CC(F)(F)F 205103756 BZIDBJUSOCQJBZ-UHFFFAOYSA-N 359.311 3.579 0 1 FHAF Cc1ccc(-c2c([C@@H](O)C(=O)O)c(C)nc3cc(-c4ccccc4)nn23)cc1 113882694 PBRWJKYEARJTLN-OAQYLSRUSA-N 373.412 3.798 0 1 FHAF CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCO)cc1 2480251 SACRGDHYNRGLFZ-UHFFFAOYSA-N 368.408 3.993 0 1 FHAF O=C1C[C@H](c2nnc(Cc3ccc(F)cc3Cl)o2)CN1c1ccccc1 6822985 XOUJNOLEVQVMOJ-ZDUSSCGKSA-N 371.799 3.973 0 1 FHAF Cc1cc(F)ccc1C(=O)c1c[nH]c(C(=O)NCc2c(F)cccc2F)c1 53296582 BURYUBWDYDXBBV-UHFFFAOYSA-N 372.346 3.901 0 1 FHAF Cc1ccccc1OC[C@H](O)CNC(C)(C)Cc1cn(C)c2ccccc12 26730875 ACFFTANHMNXQQW-LJQANCHMSA-N 366.505 3.837 0 1 FHAF CSc1nccc(-c2cccc(-c3ccn(CCCN(C)C)n3)c2)n1 20295652 SBAPWKFQAUPQGD-UHFFFAOYSA-N 353.495 3.681 0 1 FHAF Cc1noc(-c2ncn3c2CN=C(c2ccccc2)c2c(F)cccc2-3)n1 26380414 KGUGSGWXYXPJFW-UHFFFAOYSA-N 359.364 3.721 0 1 FHAF COc1cc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc(OC)c1 28639492 QRVGBTGBMIUBQJ-GOSISDBHSA-N 366.465 3.657 0 1 FHAF CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1 36387767 QKBWAHYJNYLSOJ-UHFFFAOYSA-N 368.824 3.588 0 3 FHAF CC(=O)Nc1cccc(-c2ccc3c(c2)N(CC2CC2)C(=O)COC3)c1 74375092 GGMTXZZIWJWKHF-UHFFFAOYSA-N 350.418 3.585 0 3 FHAF C[C@@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(OCCN)c(F)c1 84688068 CZNGGIYTGUBLER-OAHLLOKOSA-N 372.484 3.881 0 1 FHAF CC1(C)C=C(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C(C)(C)N1 40895714 JXFWPCIZVTYOEP-UHFFFAOYSA-N 360.461 3.873 0 1 FHAF CCCCC[C@]1(C)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 194862966 HWOPMIJWXGQTJL-KKIXJVLHSA-N 350.499 3.913 0 1 FHAF C[C@@]1(C(=O)Nc2ccc3ccccc3c2)CCC(=O)N1CC(F)(F)F 95571194 PQLNUVZXPXGUFZ-KRWDZBQOSA-N 350.340 3.722 0 3 FHAF CCOC(=O)c1c(-c2cc(F)cc(OC)c2)[nH]c2cc(OC)ccc2c1=O 95554122 TWWSIYGCCLPZHA-UHFFFAOYSA-N 371.364 3.528 0 1 FHAF OC[C@H]1CCC[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)C1 96175015 QDKLCRHIPUIYOF-RDJZCZTQSA-N 374.444 3.874 0 1 FHAF COc1cc2c3c(c1)OC1(c4ccccc4C(=O)c4ccccc41)[C@@H](C2)C3=O 587447787 VHXDNTMUFCULGI-IBGZPJMESA-N 368.388 3.931 0 1 FHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cccc(C(=O)O)c2[nH]1 587108570 BVEFHGPPAWEFOO-UHFFFAOYSA-N 350.252 3.645 0 1 FHAF COc1ccc(NS(=O)(=O)c2ccc3nc(C=C4CCC4)[nH]c3c2)cc1 587964649 FIEHAFFQIKCZQM-UHFFFAOYSA-N 369.446 3.940 0 1 FHAF Fc1cc(-c2nc3cncc(Br)c3[nH]2)cc(N2CCCC2)n1 587177159 ANTXBSWYROSKIO-UHFFFAOYSA-N 362.206 3.522 0 1 FHAF Nc1ccc(-c2ccc3nc(CCOc4ccc(C=O)cc4)[nH]c3c2)cc1N 587566336 HKHJWPNXVYJTHO-UHFFFAOYSA-N 372.428 3.828 0 1 FHAF O=C1C[C@H](c2ncc(Br)cn2)Oc2c1ccc1c2CCCC1 587497950 NHOIHJFCWZRKCB-OAHLLOKOSA-N 359.223 3.824 0 1 FHAF COC(=O)c1ccc2nc(-c3cc(F)c(C)cc3Br)[nH]c2n1 587137658 DULTVLYYQYXHHJ-UHFFFAOYSA-N 364.174 3.622 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)cnn2C)N1 587700068 UKCKXECIZLLZFP-AYVTZFPOSA-N 372.669 3.773 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccn(C)n1)O2 587377001 FMGWCKOYLGBZGA-FQEVSTJZSA-N 367.836 3.873 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](O)c3ccccc3Cl)nc2c1 587057517 AQWYXCMYJVZPLB-AWEZNQCLSA-N 351.189 3.738 0 1 FHAF Cc1c([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C 587518028 YWWUCYZBYPXDPT-VDZCTEQFSA-N 365.477 3.543 0 1 FHAF Cc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587590866 ZQZRQFZZCLJYDC-RXVVDRJESA-N 362.385 3.676 0 1 FHAF COc1ccc([C@H](O)[C@H](C)c2nc3c(Br)ccnc3[nH]2)cc1 587936734 LUAMZSPNVVUONX-LKFCYVNXSA-N 362.227 3.566 0 1 FHAF Nc1ncnc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c12 587063726 TWKFAQPKZDHEDZ-UHFFFAOYSA-N 351.797 3.835 0 1 FHAF Cc1cc2c(cc1O)[C@](c1cc(F)cc(F)c1)(C1CCC1)N[C@H](C(=O)O)C2 963511073 SVHSTSROQUYKPN-GHTZIAJQSA-N 373.399 3.621 0 1 FHAF COc1ccc(F)cc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579673 HNZMMMMXRKTIMB-QGZVFWFLSA-N 365.832 3.768 0 1 FHAF O=C(CCNC(=S)Nc1ccc(Cl)cn1)c1c(F)cccc1F 14943885 JAWVBARHNLTQNK-UHFFFAOYSA-N 355.797 3.573 0 1 FHAF S=C1c2cc(Cl)ccc2N=C(NC2CCCC2)[C@H]2CSCN12 18154298 FVAPDYGZWZZXLM-CQSZACIVSA-N 351.928 3.966 0 1 FHAF CN(C(=O)c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1 1857745823 GDEYTTJQURRCKU-UHFFFAOYSA-N 356.328 3.715 0 1 FHAF O=C(Nc1cc2cccnc2cc1N1CCCCC1)c1cnn2cccnc12 113652068 DNDFTQFYHYKBHO-UHFFFAOYSA-N 372.432 3.520 0 1 FHAF O=C(CSc1nnc(-c2ccccc2)o1)c1nnc(-c2ccccc2)o1 3287458 YVLAALJJTKYCFZ-UHFFFAOYSA-N 364.386 3.762 0 3 FHAF c1ccc2nc(COc3ccc4ncn(-c5ccnnc5)c4c3)ccc2c1 103246005 DXVIMNDZUYLYJT-UHFFFAOYSA-N 353.385 3.943 0 1 FHAF O[C@@]1(c2ccc(COc3ccccc3)cc2)c2ccccc2C2=NCCN21 27331011 LHBFVBJPICKOFB-QHCPKHFHSA-N 356.425 3.535 0 1 FHAF CN1CCN(C2=Nc3cc(Cl)c(Cl)cc3Nc3ncccc32)CC1 26399250 PHPFMMKNABDKMH-UHFFFAOYSA-N 362.264 3.771 0 1 FHAF O[C@@H]1CCN(Cc2ccccc2F)C[C@H]1N1CCC(c2ccccc2)CC1 22940523 UIBKBSMAUROHNN-DHIUTWEWSA-N 368.496 3.641 0 1 FHAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@@H]3C(=O)O[C@@H]4N=C[C@@]21[C@@H]43 2356534087 GTUMUWSDRPQNEC-BVUNEPNUSA-N 373.493 3.751 0 1 FHAF FC(F)(F)c1cc(CN2CC3(CCNCC3)C2)cc(C(F)(F)F)c1 64672405 FPQRLDWHOLFGPF-UHFFFAOYSA-N 352.322 3.910 0 1 FHAF O=C(O)CC/C=C\C[C@H]1CO[C@@H](c2cccnc2)O[C@@H]1c1cccnc1 27741450 PWOHCYHMAOOXIW-ZIZMGMBWSA-N 354.406 3.691 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@H](CC3CCCCC3)CN1CC2 71331496 CRICLBURZAGDER-YZGWKJHDSA-N 359.510 3.954 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)NC(C)C)CC2 40424371 JQAHXMHVTSSREV-FQEVSTJZSA-N 372.440 3.908 0 1 FHAF COc1cccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)c1 49785171 LTUJYOWFDBYEOV-QGZVFWFLSA-N 356.422 3.502 0 1 FHAF CNc1nc(N)nc2nc(-c3c(Cl)cccc3N3CCCC3)ccc12 95564217 CGJRWADOGDHXSA-UHFFFAOYSA-N 354.845 3.569 0 1 FHAF N[C@H]1CCC[C@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)C1 95556835 JOMIQNQAGMOXQZ-RYUDHWBXSA-N 374.851 3.947 0 1 FHAF CS(=O)(=O)NC(=O)c1ccc(C2C3CC4CC(C3)CC2C4)c(Cl)c1 261190224 YWVFRPKYLAAAAQ-UHFFFAOYSA-N 367.898 3.569 0 1 FHAF COc1ccc(C(=O)Cc2cc(OC)c3c(c2)OC(C)(C)CC3=O)cc1 96929680 PTIRDEKWBHJXNN-UHFFFAOYSA-N 354.402 3.873 0 1 FHAF biogenic COc1ccc(C)cc1C(=O)CCc1nc2ccnc(Br)c2[nH]1 587787879 SBEQLDKJYUXGGA-UHFFFAOYSA-N 374.238 3.853 0 1 FHAF COc1ncccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584811 ARAFAVODHKKYPS-UWJYYQICSA-N 363.369 3.673 0 1 FHAF CCc1cc(OCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)ccc1Cl 587052675 HQZPJRXMGRGAGT-UHFFFAOYSA-N 364.854 3.761 0 1 FHAF CCC(=O)C(CCOCCOc1ccc(OC)cc1Cl)C(=O)CC 138197060 IOKHFMRJFXYBOZ-UHFFFAOYSA-N 356.846 3.709 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(F)cc1)(C(=O)O)CC2=O 587466740 MMFHUBIXRJKOQN-HXUWFJFHSA-N 358.365 3.515 0 1 FHAF N[C@@H](Cc1nc2c(F)cnc(Br)c2[nH]1)c1ccccc1Cl 587058508 WHMUOVXCUMLFSZ-JTQLQIEISA-N 369.625 3.755 0 1 FHAF O=S(=O)(c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1)C(F)(F)F 586901559 MYRTUJURGVZYCW-UHFFFAOYSA-N 356.325 3.994 0 1 FHAF COC(=O)C[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587805152 GWPOUDJNNBBWDL-YOIRWDDOSA-N 370.262 3.681 0 1 FHAF C[C@@]1(c2cccnc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568709 ISRPJUNVVYZCSX-UZLBHIALSA-N 351.333 3.803 0 1 FHAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Br)ncc2[nH]1 587788185 ZCXDGWHWXBOFNR-UHFFFAOYSA-N 374.238 3.853 0 1 FHAF CCOC(=O)C[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587800236 WERRQWDZLMMDGH-HWPZZCPQSA-N 358.251 3.681 0 1 FHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(F)cc(F)c3[nH]2)cs1 587014794 ZBVMEWZIGYQJMD-UHFFFAOYSA-N 366.393 3.989 0 1 FHAF C=C1Nn2c(nc(C(C)C)c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)S1 587454710 ZXEJTTKSOXMHBT-XIKOKIGWSA-N 369.446 3.624 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccn1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587430187 FQZRMEBVAWSTDS-SCLBCKFNSA-N 355.390 3.769 0 1 FHAF COC(C[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21)OC 587789448 CSPSSLSSYKMTIA-DIFFPNOSSA-N 374.294 3.983 0 1 FHAF COC(=O)c1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cn1 587075293 HGLYDZJWOBXNBR-QGZVFWFLSA-N 370.840 3.735 0 1 FHAF COc1ncc(C)cc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962721725 WGYPQBKKZQIRHY-AUUYWEPGSA-N 358.482 3.991 0 1 FHAF CCOC(=O)[C@H](C)n1cccc1[C@H]1NCCc2c(OC)ccc(Cl)c21 963256541 DIWYMLXCNXCBNF-KPZWWZAWSA-N 362.857 3.509 0 1 FHAF Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cc[n+]([O-])cc3)nc(N)c12 13835471 CMOMGRVEJGETFO-OAHLLOKOSA-N 359.433 3.540 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(N)cc3)cc2)C[C@H]2CC[C@@H]1N2C 169354975 KMRUPVHLDNPTES-CGXNFDGLSA-N 350.462 3.675 0 1 FHAF O=C(NCc1ccc(C(F)(F)F)cc1Cl)[C@H]1COc2ncccc21 205628332 HACJQFJVTUVVQQ-LBPRGKRZSA-N 356.731 3.546 0 1 FHAF O=C(O)[C@H]1C[C@H](C2=CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 3982521 HHTLVPAQTPCANE-FUHWJXTLSA-N 368.820 3.666 0 1 FHAF CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1cccc(OC)c1OC 101616314 HTCOARATKMNLEY-XIGQLOAZSA-N 372.425 3.577 0 1 FHAF COc1cc2c(cc1OC)C(=O)N1C=C(c3c(F)cccc3F)C[C@H]1C=N2 49808303 HMFHEBWENZKJSN-LBPRGKRZSA-N 370.355 3.954 0 1 FHAF O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2ccc3ccccc3c2)n1 82075511 FKWHWTRHMGXEBY-HXUWFJFHSA-N 372.424 3.828 0 1 FHAF COCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82133721 IYIRQDJEAUANSI-UHFFFAOYSA-N 368.481 3.512 0 1 FHAF Cc1c(O)c(=O)ccn1CCCCNc1ccnc2cc(Cl)ccc12 95590897 JFJRGMFIRJOWKM-UHFFFAOYSA-N 357.841 3.956 0 1 FHAF COC(=O)/C=C/c1ccc(OC(=O)C[C@H](C)OC(C)=O)c(CC=C(C)C)c1 238779409 CCOYEMUNRDWWND-SHQCLWGWSA-N 374.433 3.629 0 1 FHAF Cc1cn(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)c2ccccc12 143547464 BHHYYGHMXMUJJN-UHFFFAOYSA-N 366.442 3.579 0 1 FHAF CCc1snc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC 144609573 BWOXMTOYABXDRG-SNVBAGLBSA-N 358.916 3.961 0 1 FHAF CC(C)CCN1C[C@H]2[C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 254071116 POXPJZRJBSECAL-BJWYYQGGSA-N 355.309 3.947 0 1 FHAF C=CCOc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@@H](C)C(=O)N(CC)CC)CC2 33911252 BMCULPTWSXDPQL-FQELHTAISA-N 359.510 3.969 0 1 FHAF biogenic CC(C)n1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587762706 ZPVREAIDURVJDE-QFYYESIMSA-N 352.251 3.989 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccncc2[nH]1 587589439 OQGRWLISWFVLQL-RXVVDRJESA-N 358.353 3.971 0 1 FHAF Cc1ncc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587772720 GHZMCAWJHVNKHC-XYZCENFISA-N 364.262 3.793 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2nc[nH]c2c1 587586706 CXDCYIOBGBHSCX-NQIIRXRSSA-N 358.353 3.971 0 1 FHAF COC(=O)c1ccc(N)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587507968 DWISOXPRSDOTEW-IBGZPJMESA-N 351.402 3.641 0 1 FHAF O=C1C[C@@](C(=O)O)(c2ccc3c(c2)CCC3)Oc2c1ccc1c2CCCC1 587528689 DSVSUOJDYSNPNS-QHCPKHFHSA-N 362.425 3.999 0 1 FHAF COc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1C 587006661 MYWRBMONFINTLN-UHFFFAOYSA-N 357.211 3.957 0 1 FHAF O=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2O1 587509986 TVJVFGCROOLNRZ-OAQYLSRUSA-N 352.361 3.874 0 1 FHAF Cc1c(-c2nc3cncc(Cl)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073337 GLRCBFIEBJFNNT-UHFFFAOYSA-N 359.220 3.880 0 1 FHAF O=C1C[C@H](Cc2nc3cccc(O)c3[nH]2)c2c(Br)cccc2O1 587004100 QPJTZRJIOBKZFQ-VIFPVBQESA-N 373.206 3.666 0 1 FHAF COc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1OC 587042352 SLCKMDZGHJFEHD-YJBOKZPZSA-N 355.463 3.526 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(CC(=O)O)cc1)CC2=O 587491847 WDPCBPYKOPYYMB-OAQYLSRUSA-N 354.402 3.852 0 1 FHAF COc1ccc2c(c1OC)[C@H](c1ccc3cnn(C)c3c1)N(C)[C@@H](C)C2 962636876 NSFCMUSUPGFWPD-RBZFPXEDSA-N 351.450 3.556 0 1 FHAF O=C(C[C@@]1(C(F)(F)F)NCCc2nc3ccccn3c21)c1cccs1 962983666 LWKZJNTTXGIOCN-MRXNPFEDSA-N 365.380 3.572 0 1 FHAF COc1cc(/C=C/C(=O)Nc2ccccc2)ccc1OCCN1CCCC1 1772607943 TZUVDPNIKKXCNG-ZRDIBKRKSA-N 366.461 3.822 0 1 FHAF O=C(N[C@H]1CN2CCC1CC2)c1ccc(SCc2ccccc2)cc1 13608949 CWXAUEUPNZECCE-FQEVSTJZSA-N 352.503 3.803 0 1 FHAF CC[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccccc2)C[C@@]12NNC(=S)N2 169305362 KUAQYUNEZTVRNS-FTEYMNFISA-N 353.491 3.594 0 1 FHAF O=N[C@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2ccc(Cl)cc21 169722200 ZCLHYILVMNBSNR-OAHLLOKOSA-N 362.744 3.700 0 1 FHAF O=C1N[C@H](c2c[nH]nc2-c2ccccc2)Nc2c(Br)cccc21 1857634104 HYSATRZGOSDEQF-MRXNPFEDSA-N 369.222 3.693 0 1 FHAF CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 6929356 JRIAFXHCJPYXIG-UHFFFAOYSA-N 354.475 3.867 0 1 FHAF C[C@@H](COC(=S)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 28521305 QXEZAPCABUYZLP-NSHDSACASA-N 374.849 3.738 0 1 FHAF C=CC(=O)N1CCc2c(sc3ncnc(N[C@H](C)c4ccccc4)c23)C1 64527303 QQTRHLQUUWPNNO-CYBMUJFWSA-N 364.474 3.935 0 1 FHAF CO[C@]12CCCC[C@@H]1[C@@H]1O[C@@H](C)[C@@H](C)c3c(C)c(O)c(C(=O)O)c(c31)O2 2356552093 CTZMTGUUUISDOM-OJEHVNOXSA-N 362.422 3.887 0 1 FHAF COC(=O)C=C(C)CC[C@@H]1[C@](C)(O)C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 2356635844 MDVKJBFHLSNOIH-ULZZIOJFSA-N 352.515 3.850 0 1 FHAF C[C@]1(CCOS(=O)(=O)O)CC[C@@H]2C(=CC[C@@H]3[C@@](C)(O)CCC[C@@]23C)C1 2356719956 MGAAHPXIGWJLPX-LFDJNIOPSA-N 372.527 3.890 0 1 FHAF COc1cc(C)nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1 33504934 HDFAANFHMOANOW-AWEZNQCLSA-N 370.261 3.879 0 1 FHAF CCCC1=C[C@]2(OC)C(=CC1=O)O[C@@H](c1ccc(OC)c(OC)c1)[C@@H]2C 900740 SLMFJWTXIZCNBN-JDORSLCVSA-N 358.434 3.990 0 1 FHAF biogenic COCCN(CCOC)Cc1coc(-c2ccc(Cl)cc2Cl)n1 72183965 OFNJKSWXIYKJLK-UHFFFAOYSA-N 359.253 3.743 0 1 FHAF O=C(/C=C/c1ccccc1Br)Nc1ccc2c(c1)COC2=O 73220280 PXXIZNFXEORGAF-VMPITWQZSA-N 358.191 3.771 0 1 FHAF COc1cc(C(=O)c2cn(C)c(-c3ccc(C)cc3)n2)cc(OC)c1OC 72107803 AAXZBPGIFMJMRG-UHFFFAOYSA-N 366.417 3.652 0 1 FHAF COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(OC)c(F)c3)[C@H]1CC2 84709083 NDJKMINPNPCDIH-KKSFZXQISA-N 368.408 3.713 0 1 FHAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3cccnc3)C[C@@H]1O2 84632698 WKKRHONEIOAAQS-VHFSOBRXSA-N 366.461 3.714 0 1 FHAF CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CCN(C)CC1 146414924 XHSSWADZFAJHAV-UHFFFAOYSA-N 367.419 3.936 0 1 FHAF CN(C)Cc1nc(-c2ccc3[nH]nc(-c4cc5ccccc5o4)c3c2)n[nH]1 197931398 XMPJSXRAPWHDQG-UHFFFAOYSA-N 358.405 3.823 0 1 FHAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCN2c2ccc(C(F)(F)F)cn2)no1 144063465 ZVPVGKSDCAFJCV-NSHDSACASA-N 368.359 3.603 0 1 FHAF Cc1nc(C(F)(F)F)cn1-c1ccc(NCc2c(F)cncc2F)nc1 149809993 PXNJUAWMZCIMPM-UHFFFAOYSA-N 369.297 3.880 0 1 FHAF CCCCOC(=O)Nc1cc2nc(C3CCOCC3)[nH]c2cc1N(C)C 2382225801 IUXAVJRFNPXJMM-UHFFFAOYSA-N 360.458 3.872 0 1 FHAF Fc1cccc(Cn2nnc(-c3nc4cc(Cl)ncc4[nH]3)c2Cl)c1 587161718 QHCDJWIXWRNUCP-UHFFFAOYSA-N 363.183 3.711 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(C)c(C)c1)O2 587390997 QHUPBJVHEGBERA-NRFANRHFSA-N 352.434 3.947 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nccn23)N1 587776548 XXKUKMQZEKLOIB-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF O=C1COc2cc3[nH]c(C4(Cc5ccc(Cl)cc5)CC4)nc3cc2N1 587074770 YDMUQJZONWAQKG-UHFFFAOYSA-N 353.809 3.822 0 1 FHAF NC(=O)CCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508854 FOHVFPPBSNCPSH-FQEVSTJZSA-N 365.429 3.526 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nn(CCOC)c1C)CC2=O 587476833 RGWSYCBZMKCTFP-NRFANRHFSA-N 372.465 3.685 0 1 FHAF CC[C@]1(C2CCNCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593943 JNADWKZPIFLHQH-WIYYLYMNSA-N 353.418 3.502 0 1 FHAF C[C@]1(c2ccc(F)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569101 KKEXTQOOGUXJGA-FXAWDEMLSA-N 351.333 3.803 0 1 FHAF N=c1[nH]c(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)cs1 587020514 ARFHOFRQYFQWHJ-UHFFFAOYSA-N 350.403 3.537 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C=O)n(C)c2)N1 587753055 HMERBSWKQZNPMZ-DYZYQPBXSA-N 365.246 3.537 0 1 FHAF N[C@@H](Cc1nc2ccc(Br)nc2[nH]1)c1ccccc1Cl 587056982 MNLWXRWRQYMANQ-JTQLQIEISA-N 351.635 3.616 0 1 FHAF Cc1cc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2c(C)n1 587144273 KRPONTJPEBZYGP-CYBMUJFWSA-N 363.234 3.719 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC3(C2)OCCO3)N1 587840553 ZFCQRKNBMWSLIA-BZNIZROVSA-N 370.262 3.635 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(F)c1 587567503 AZKLFVPVEJUWMA-PXNSSMCTSA-N 352.317 3.940 0 1 FHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)n1 587079603 JIYMSCBQNLBYKH-SECBINFHSA-N 362.817 3.846 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)nc3sccn13)CC2=O 587497879 DONYMUWLQPBLOS-CQSZACIVSA-N 358.419 3.769 0 1 FHAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cc3c(cc2[nH]1)OCCO3 587116000 IWSAKTVZQQKWTF-UHFFFAOYSA-N 372.306 3.963 0 1 FHAF FC(F)(F)OCc1nc2c(Br)cnc(Br)c2[nH]1 587122269 BHHFEOZPOSUQRW-UHFFFAOYSA-N 374.942 3.519 0 1 FHAF CCOC(=O)c1ccc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398275 DHRIZHWWJZHCJO-NRFANRHFSA-N 353.418 3.721 0 1 FHAF COc1ccc2c(c1OC)[C@@H](c1c(C)nc3c(C)cccn13)N(C)[C@@H](C)C2 962640256 ZHGOKOKLTLFSLV-XOBRGWDASA-N 365.477 3.934 0 1 FHAF CSc1ccc(/C=C/c2nc3ccccc3c(=NCCN(C)C)[nH]2)cc1 1857545495 GZTYTAOGJJGFNK-JLHYYAGUSA-N 364.518 3.918 0 1 FHAF N[C@@H](c1ccccc1)c1csc(N=c2ccc(-c3ccccc3)n[nH]2)n1 1857575284 DHIOGLMUPIJHOF-IBGZPJMESA-N 359.458 3.814 0 1 FHAF CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1cccc(O)c1 1857758012 HFBNDGYVWHOVKI-GOSISDBHSA-N 368.458 3.665 0 1 FHAF CC(C)(C)c1cc(CCC(=O)n2nc(O)ccc2=O)cc(C(C)(C)C)c1O 711892 NBQTWKFIGBAONN-UHFFFAOYSA-N 372.465 3.523 0 1 FHAF O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccoc1 775017 BOLCNJCOINVUHF-HOTGVXAUSA-N 370.380 3.774 0 1 FHAF CCOC(=O)CN1C(=O)C=C(c2ccc(OC)cc2)Sc2ccccc21 3007899 OTIIIHADXHBJJM-UHFFFAOYSA-N 369.442 3.738 0 1 FHAF CCCCC[C@H](O)C=C[C@@H]1C(=O)CC(=O)[C@H]1CCCCCCC(=O)O 2356400801 KJWZYMMLVHIVSU-ULQDDVLXSA-N 352.471 3.683 0 1 FHAF C[C@]12CC[C@@H]3c4ccc(OP(=O)(O)O)cc4CC[C@H]3[C@@H]1CCC2=O 4683870 XYNRXDLLYXFCRS-CBZIJGRNSA-N 350.351 3.583 0 1 FHAF in-vitro O=C(Nc1ccc(P(=O)(O)O)cc1)c1ccc(Oc2ccccc2)cc1 103300751 VSFJDOZFAPZMEZ-UHFFFAOYSA-N 369.313 3.534 0 1 FHAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)c(OC)c1 103539163 WAKHWVAXDBWLPE-INIZCTEOSA-N 372.450 3.689 0 1 FHAF COc1cccc(OC)c1OC(=O)[C@H](CCSC)N1CCCCCC1 53070595 IGIZVKMTTYXCKY-HNNXBMFYSA-N 367.511 3.607 0 1 FHAF CC(=CCCC1=CC(=O)O[C@@H]1O)C[C@@H](O)C[C@@H](C)CCCc1ccoc1 2356618342 NVFZWTRCRQELPN-ZRCAFCQKSA-N 362.466 3.908 0 1 FHAF CC(=O)c1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1 66259022 CYPUJBVHYHFNKK-UHFFFAOYSA-N 370.522 3.862 0 1 FHAF COc1cccc(/N=c2\[nH]ccc3[nH]c(-c4cccc(OC)c4F)nc23)c1 74386366 JVMQMPKPGSWNOV-UHFFFAOYSA-N 364.380 3.947 0 1 FHAF COc1ccccc1/C=C/Cn1cc(C(=O)O)c(=O)c2cccc(F)c21 71340749 LDKJRCWKGLJOSP-FNORWQNLSA-N 353.349 3.561 0 1 FHAF COc1ccc([C@](C)(O)c2nc(Br)nc3ccccc23)cc1 1911576058 GQIUZZCNWIZUDP-KRWDZBQOSA-N 359.223 3.657 0 1 FHAF Cc1c(-c2cc(C3CC3)c3nn(C4CCNCC4)cc3c2)ccc(=O)n1C 1911584644 DRDDROIKBDUSSP-UHFFFAOYSA-N 362.477 3.512 0 1 FHAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(Cl)ccc2O[C@@H]31 220263478 NXHXSDFCRAAZFW-IBGZPJMESA-N 354.793 3.919 0 1 FHAF Cc1ccc2c(n1)OC[C@@H]2NC(=O)Cc1c(C)cc(Cl)cc1Cl 146612111 SAFVDKANKKOGDY-HNNXBMFYSA-N 351.233 3.798 0 1 FHAF NC1=N[C@](c2ccncc2)(c2cccc(-c3cncnc3)c2)c2ccccc21 95573817 AQKMASIJQXIOKJ-HSZRJFAPSA-N 363.424 3.549 0 1 FHAF C[C@H](NC(=O)Nc1ccc(Nc2ncnc3[nH]ncc23)cc1)c1ccccc1 95589679 PWXYTXQUAQRJAT-ZDUSSCGKSA-N 373.420 3.979 0 1 FHAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)C(C3=CC(=O)OC3)=CC[C@]12O 255284385 YGABECOLNBBTLH-CLOKKNPNSA-N 372.505 3.524 0 1 FHAF CCOC(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 299870334 SRWMNPAYNHYCEU-QFGLTROSSA-N 356.462 3.997 0 1 FHAF in-vivo Cc1noc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587343391 BVEWNMFWLAUCJT-ICSRJNTNSA-N 368.364 3.583 0 1 FHAF CS(=O)(=O)[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587209914 WXUVXBSWQGFORY-KRWDZBQOSA-N 363.438 3.868 0 1 FHAF CNc1ncccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587746168 YOPPMKRBDPJRTR-PSLIRLAXSA-N 350.235 3.649 0 1 FHAF CC[C@@]1(c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587765861 URBCOCJRVJHHBP-HWPZZCPQSA-N 352.251 3.510 0 1 FHAF COc1cc2c3c(c1)OC(c1ccc(O)cc1)(c1ccc(O)cc1)[C@@H](C2)C3=O 587450596 NDIYAIXZHWLKCH-IBGZPJMESA-N 374.392 3.798 0 1 FHAF C[C@H]1C[C@@H](C(=O)O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587825766 IJKSYSPTEDMWON-DKQCNTTFSA-N 370.262 3.839 0 1 FHAF CCOc1ccc(OCC)c(-c2nc3nc(Br)c[nH]c-3n2)c1 587778557 PIIHASQRRCJYJF-UHFFFAOYSA-N 363.215 3.531 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C)c(Br)s1)O2 587412659 JXSGKOYVOJISKU-NSHDSACASA-N 353.241 3.811 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)([C@@H](C)O)N1 587847150 JKGSRFPHKYJYAD-LYGAQUJYSA-N 370.287 3.808 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccccn1)CC2=O 587486918 NCVSCUFRQIPRMP-NRFANRHFSA-N 369.417 3.554 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)O[C@H](C)c1ccccc1)[C@@H](C2)C3=O 587437869 ASXJJLKNRJYJSJ-LEXZLQQCSA-N 366.413 3.896 0 1 FHAF COc1cc(-c2nc3cc(Br)ncc3[nH]2)cc(Cl)c1O 587046201 NGWAJAFFZNTPNT-UHFFFAOYSA-N 354.591 3.755 0 1 FHAF O=C1CSC[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)N1 587043208 IOUGSVGRTDJGGZ-MRVPVSSYSA-N 369.290 3.505 0 1 FHAF Cc1cc(OC(C)(C)C)n(-c2cc(C(=O)O)ncc2Br)c1O 587941033 QTKARUVYMJRXOQ-UHFFFAOYSA-N 369.215 3.524 0 1 FHAF CNc1cc(Cl)ccc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587066596 ODZWOJYNNIQTJX-UHFFFAOYSA-N 367.840 3.681 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c[nH]nc12 587598334 XMKWUNUFAXKKJC-DYESRHJHSA-N 358.353 3.971 0 1 FHAF COc1cc(C)c(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587398999 HMRKMSTXJFEVTN-OAQYLSRUSA-N 355.434 3.869 0 1 FHAF Cc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594130 KMCYPNXTOXKGGS-AVRDEDQJSA-N 373.364 3.510 0 1 FHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C(C)=O)cc2[nH]1 586973101 NRLKXSQFGWYBQI-LJQANCHMSA-N 367.474 3.876 0 1 FHAF CCOCCOCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587779230 WGMFVJXSDDIGSW-UHFFFAOYSA-N 367.165 3.897 0 1 FHAF COc1ccc2c(c1OC)[C@H](c1c(C)nc3c(C)cccn13)N(C)[C@H](C)C2 962640242 ZHGOKOKLTLFSLV-JLTOFOAXSA-N 365.477 3.934 0 1 FHAF CCOC(=O)c1ccc([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)cn1 963098043 FWWXBLPILCIKAV-IIBYNOLFSA-N 354.425 3.681 0 1 FHAF COc1cc2c(cc1OC)[C@](C)(Cc1ccccc1C(=O)O)N(C)[C@H](C)C2 962631759 ODKQPALHZSOPPZ-PEBXRYMYSA-N 369.461 3.736 0 1 FHAF CCOC(=O)/C=C/c1cc(/C=C/c2ccc3c(c2)OCO3)c(O)c(OC)c1 1772601073 GTVAODIQPSCCCF-KRHXFINASA-N 368.385 3.876 0 1 FHAF Cc1nn(C)cc1[C@@H](C)Nc1nncc(-c2ccc(C(F)(F)F)cc2)n1 11717354 LNPHKHANJCYWMS-SNVBAGLBSA-N 362.359 3.772 0 1 FHAF COc1ccc(C2=NN(C3CCCC3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474079 PMDTUKRFGFOQKR-DLBZAZTESA-N 356.466 3.999 0 1 FHAF COC(C(=O)OCC[C@@H]1CCCN1C)(c1ccccc1)c1ccccc1 2032988 OVTSPRWPWDXYLZ-FQEVSTJZSA-N 353.462 3.604 0 1 FHAF COCC(=O)N(c1ccccc1)[C@@H]1CCN(CCc2cccs2)C[C@H]1C 58677957 CUAPIPQGWMKVBV-YLJYHZDGSA-N 372.534 3.681 0 1 FHAF NCCN1[C@H]2CC[C@@H]1C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101060896 DEBMLCCWWGKBJP-MZADTFQBSA-N 371.475 3.598 0 1 FHAF COc1cc([C@H]2CN=C(c3ccc4cc[nH]c4c3)O2)cc(OC)c1OC 27523825 FRAHVLZDMGVBCM-GOSISDBHSA-N 352.390 3.712 0 1 FHAF CC=C(CO)[C@@H]1O[C@@H]2C(C)=C[C@](C)(C=CC(=O)O)[C@@H]3C(C)=C[C@@]1(C)[C@]23C 2356407229 TUUPJUMTPYTGPG-GCOBIYGJSA-N 358.478 3.888 0 1 FHAF CN1CCC(N2C(=O)CN=C(c3ccccc3)c3cc(Cl)ccc32)CC1 27763161 FHURWXNLPDKSPT-UHFFFAOYSA-N 367.880 3.618 0 1 FHAF COC(=O)[C@@]12CCC[C@@]3(CO[C@@H]1OC)[C@@H]1Cc4occc4[C@H](C)[C@H]1CC[C@@H]23 2356649589 QWJSPZRTYDZCNG-NLXGSHOBSA-N 374.477 3.914 0 1 FHAF COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OC)[C@@H](C)[C@@H]21 13408576 OBVLTWCOTSTMNM-ODXCJYRJSA-N 355.434 3.635 0 1 FHAF biogenic OCc1cn(Cc2cccc(I)c2)c2ccccc12 71330248 KYPABYPJWCSNLJ-UHFFFAOYSA-N 363.198 3.787 0 1 FHAF O=C(c1ccc(Cl)cc1)[C@@H]1NS(=O)(=O)c2ccc(Cl)cc2S1 40380793 DIKVXFLKJHUGJR-CQSZACIVSA-N 374.270 3.586 0 1 FHAF CN(C)CCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@@H]1c1ccccc1 196482176 DHYKOXYIUQYOKQ-UAMJMNFZSA-N 374.532 3.606 0 1 FHAF CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc2c(c1)OCCCO2 95588462 NVDCBEGCEURYOV-IBGZPJMESA-N 350.418 3.854 0 1 FHAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@H]([C@@H](C)C(=O)N1CCCCC1)C2 25206680 YJEVWDDISZOYOD-WBVHZDCISA-N 373.493 3.520 0 1 FHAF biogenic CCCc1nc(-c2nc3c(OC)cccc3[nH]2)nn1-c1ccccc1F 587156762 YPOUPYRYCAPOIN-UHFFFAOYSA-N 351.385 3.911 0 1 FHAF Nc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575100 AOPQJTTWUMJIPO-KNQAVFIVSA-N 359.381 3.778 0 1 FHAF Cc1ncncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350859 YSMSAAJNVXVYDW-FPOVZHCZSA-N 364.376 3.904 0 1 FHAF CC(C)COc1cccc(OCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 587565426 AEUPBQXZWHKKRS-IBGZPJMESA-N 354.410 3.900 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]1C[C@H]2CCC1=O 587601239 CIKKJCFEOQDVKC-XJWDEFRUSA-N 364.397 3.872 0 1 FHAF Cc1cc(Cc2nc3cc4c(cc3[nH]2)OCCO4)ccc1Br 586977000 LQNDKNZFJROXGC-UHFFFAOYSA-N 359.223 3.996 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc3c(c1)CCC3)O2 587402947 BHPVQKQNKQTIQO-QFIPXVFZSA-N 365.429 3.791 0 1 FHAF CCn1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587739813 VWSDFLMJLDKPHT-RTHLEPHNSA-N 356.214 3.567 0 1 FHAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(F)cnc(Cl)c2[nH]1 587116305 CLNBFIMWJYDZFK-UHFFFAOYSA-N 354.094 3.823 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2N)N1 587751826 ZBPGKUBVVUDTIW-HUTHGQBESA-N 365.246 3.674 0 1 FHAF CC(C)(C)OC(=O)N1CC([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587517590 QFIBWODCGSQDAS-GOSISDBHSA-N 357.450 3.766 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(NC(C)=O)cc1 587870278 CWMMPRDJZWUIPU-UHFFFAOYSA-N 367.380 3.735 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(N)sc3c1CCOC3)CC2=O 587492690 BNLYPNCRUNKDTQ-HXUWFJFHSA-N 373.474 3.942 0 1 FHAF OCCc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587075667 GSYXIPHDSBGWEV-UHFFFAOYSA-N 368.824 3.586 0 1 FHAF COC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@H]1c1ccccc1 15935499 KNAPOJPJFWLPAB-SFHVURJKSA-N 352.459 3.565 0 3 FHAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCC[C@@H](C(F)(F)F)C1 169348453 FPSZEQSAPQQKJQ-XQGGPPPESA-N 353.340 3.786 0 1 FHAF CC[C@H](C(=O)NC(C)(C)C)N(C(=O)c1ccc(Cl)nc1)C1CCCC1 4986440 BGLBKWUSCFLDEE-OAHLLOKOSA-N 365.905 3.813 0 3 FHAF COc1ccccc1CN1CC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 3955851 FOGGKLXJKCGHRJ-UHFFFAOYSA-N 368.452 3.573 0 1 FHAF O=C(Nc1nc2ccccn2c1C(=O)NC1CCCCC1)c1ccccc1 1857609402 JLGIKXGUVMWPEK-UHFFFAOYSA-N 362.433 3.649 0 1 FHAF CCOC(=O)C1=C(N)Oc2cc3c(cc2[C@@H]1c1cccc(Cl)c1)CCN3 1857653464 SGFFGTFFQUCDTH-KRWDZBQOSA-N 370.836 3.566 0 1 FHAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1csc(-c2ccccc2)n1 117716351 FMARCCRRUGZDDU-GOSISDBHSA-N 365.458 3.723 0 1 FHAF Cc1ccc2cc3cc(C(=O)NCc4ccc5c(c4)OCO5)oc3nc2c1 4057124 KWWHBTCNWXQGEE-UHFFFAOYSA-N 360.369 3.948 0 3 FHAF CC[C@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 4118050 IUKIFGGIHREOLJ-LBPRGKRZSA-N 355.825 3.567 0 1 FHAF C/C(=C\[C@](C)(O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(C)C 27893369 AMBDIWVYPNQJPH-DGTDKYIOSA-N 368.558 3.995 0 1 FHAF COc1ccc(C(=O)Nc2ccc(-n3cnc(Cl)c3)c(OC)c2)cc1 103235455 CUVXEVZDSCPWPU-UHFFFAOYSA-N 357.797 3.795 0 1 FHAF COc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(S)nc(O)c21 103910373 YZYKFNWRIFTVMZ-ZDUSSCGKSA-N 355.419 3.694 0 1 FHAF Cc1ccc(-n2c(=O)[nH]cc(Cc3ccccc3Cl)c2=N)cc1Cl 101048236 DHMLVIQHXCVEBT-UHFFFAOYSA-N 360.244 3.851 0 1 FHAF O=C1CS[C@@H](c2cccc(C(F)(F)F)c2)N1CCc1ccccn1 28819472 HWOBPIKCLUVNFH-INIZCTEOSA-N 352.381 3.917 0 1 FHAF COc1cccc2[nH]c3c([C@@H]4[C@H](C(C)(C)O)CC[C@@]4(C)O)nccc3c12 2356476212 DJJGELHJLSQCQK-GQNMWPQZSA-N 354.450 3.740 0 1 FHAF COC(=O)[C@]12CCC[C@@]3([C@@H]1CC[C@@H]1[C@@H](C)c4ccoc4C[C@H]13)[C@H](OC)OC2 2356689254 CFHDLAKXWKVAMW-ZVMQWQJNSA-N 374.477 3.914 0 1 FHAF CC1=C[C@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356805578 ACSZKYRJMAIMPN-KSZLIROESA-N 371.529 3.865 0 1 FHAF COc1cc(O)c([C@@H]2COc3cc(O)ccc3C2=O)cc1CC=C(C)C 14819432 QRGFRUURCOOJEV-KRWDZBQOSA-N 354.402 3.974 0 1 FHAF biogenic COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)NC(C)C)CC2 40424372 JQAHXMHVTSSREV-HXUWFJFHSA-N 372.440 3.908 0 1 FHAF C[C@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(-c2ccc(Cl)cc2)nn1 43020548 SVKHERCOWKMPQO-ZDUSSCGKSA-N 366.808 3.847 0 1 FHAF CN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2F)OC1=O 40564632 FSXDZVGPDKRFRW-SFHVURJKSA-N 360.404 3.808 0 1 FHAF Nc1c(C(=O)c2ccc(F)cc2F)cc[n+]([O-])c1-c1ccccc1Cl 43067370 DGVRIFKHFJTXAM-UHFFFAOYSA-N 360.747 3.732 0 1 FHAF O=C(N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1cccc(F)c1 199716273 ASDNDHSSBIYFMZ-SFHVURJKSA-N 374.843 3.790 0 3 FHAF COc1ccc(Oc2cc(NCc3cccc(OC)c3OC)ncn2)cc1 82067621 YLODGESMAFREPX-UHFFFAOYSA-N 367.405 3.907 0 1 FHAF Cc1c(COc2ccccc2)nn2c1CN(C(=O)c1ccc(F)cc1)CC2 143829081 HOFPALVKNDSITL-UHFFFAOYSA-N 365.408 3.566 0 1 FHAF COc1ccc(-c2c3c(cc4cc5c(cc24)OCO5)C(=O)CO3)cc1OC 238759949 PQFYSRLXICNMSR-UHFFFAOYSA-N 364.353 3.828 0 1 FHAF CC(=O)Nc1nc(C)c(-c2cnc(Nc3cccc(C(=O)O)c3)o2)s1 95560570 FSPSBPWQYZGGSM-UHFFFAOYSA-N 358.379 3.507 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4ccncc4)ncc23)ccn1 261176957 VBGBUIWHCYJUEC-ZDUSSCGKSA-N 373.420 3.606 0 1 FHAF O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2n1 473134920 DHGQDGVOFHPDSG-UHFFFAOYSA-N 373.500 3.919 0 1 FHAF CO[C@@H]1Cc2ccncc2C2(CCN(CCCc3ccccc3)CC2)O1 299835347 DNGJVWBFLANEJU-NRFANRHFSA-N 352.478 3.551 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cccs1)CC2=O 587496482 YKEXRJKSOURREB-LJQANCHMSA-N 360.431 3.830 0 1 FHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccnc(Cl)n1 587656630 HPFXJMPGDJWGPW-UHFFFAOYSA-N 352.756 3.635 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(N)CC(C)(C)C2)N1 587743742 FJILIUUUMSOIEL-DYZYQPBXSA-N 353.279 3.980 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nc(C)nc1S)CC2=O 587491206 KLOQWCFOGYMKPF-LJQANCHMSA-N 358.463 3.921 0 1 FHAF Cn1ncc(Cl)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549666 SLJLNAAVYVXWHP-HNAYVOBHSA-N 370.792 3.656 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn3nccc3c2)N1 587793062 JJHYHJYJBFNEHP-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)c(N)c2)N1 587747221 KRAGSOJSNWWTCR-XLFHBGCDSA-N 364.262 3.550 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)cccc2F)N1 587717937 HADYNKPPZGOGBT-PWJLMRLQSA-N 353.210 3.933 0 1 FHAF O=C(CCc1ccc2c(c1)OCO2)n1nc2cc1Oc1ccc(F)cc1-2 587873601 IWUYJCMVPBODST-UHFFFAOYSA-N 352.321 3.797 0 1 FHAF O=C(O)c1cccc2c(C(=O)C(F)F)c(-c3ccc4c(c3)OCO4)[nH]c12 587637906 QTHQLNAKACPILT-UHFFFAOYSA-N 359.284 3.710 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@@H](C)O)N1 587851775 JKGSRFPHKYJYAD-YNHOBRIKSA-N 370.287 3.808 0 1 FHAF CCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587391096 RXCBDGILTGXBJJ-XCLFUZPHSA-N 362.470 3.995 0 1 FHAF CN(C)CCOc1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1 587084178 ITKHRLNJUONVMR-UHFFFAOYSA-N 351.237 3.872 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(C1CC(F)(F)C1)CC2=O 587467829 URPLRXKPEKVABO-GOSISDBHSA-N 368.376 3.657 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H](C2)N3C)N1 587773134 JGHFXYIABGSMET-JCKZUZKGSA-N 353.279 3.574 0 1 FHAF COc1cc2c3c(c1)O[C@](c1cnc[nH]1)(c1cccc(C)c1C)[C@@H](C2)C3=O 587438812 RDGUFPFXKIBIAA-HTAPYJJXSA-N 360.413 3.726 0 1 FHAF COc1cnccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587771082 BJRDNBGMWNYFOJ-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(C)cc3OC)nc2c1 587564695 WGLIKMSKMXAHJP-UHFFFAOYSA-N 360.797 3.899 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cnc([C@@H]2CCCO2)s1 963643206 ZMFXKMZWSWZBTR-GEWABHDNSA-N 360.479 3.635 0 1 FHAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cccc(C(F)(F)F)c12 1772657123 AYBSJQDQZKMEQS-UHFFFAOYSA-N 352.356 3.829 0 1 FHAF COc1ccc2nc(Cl)c(Cn3nnc(Cc4ccccc4)n3)cc2c1 1772654025 PINCKVWJKUTJRH-UHFFFAOYSA-N 365.824 3.522 0 1 FHAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4ccncc34)nc21 5841838 BOCZNEJOYWHXFD-UHFFFAOYSA-N 370.416 3.768 0 1 FHAF COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1F 13554002 FIOYTYMSHNLTAJ-UHFFFAOYSA-N 360.337 3.634 0 1 FHAF Nc1c(-c2csc(-c3ccncc3)n2)c(=O)[nH]c2ccc(Cl)cc12 14974745 HUHQPIYUPMEDGV-UHFFFAOYSA-N 354.822 3.949 0 1 FHAF COc1cccc(CO[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(C)=O)c1 169350122 AJPWQTJSSAKUPS-BHDDXSALSA-N 368.429 3.840 0 1 FHAF CC1(C)c2c1c(O)n(-c1ccc(NC(=O)c3ccccn3)cc1Cl)c2O 169689261 RSAARTAGPSLJSW-UHFFFAOYSA-N 369.808 3.829 0 1 FHAF CN(C)CCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl 118631413 VTKUBMALEHEFPX-UHFFFAOYSA-N 368.953 3.672 0 1 FHAF CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4F)oc23)CC1 25991770 LERZLKSONQYSNY-UHFFFAOYSA-N 367.376 3.729 0 1 FHAF COc1ccc([C@]2(C3CCCCC3)N=C(N)N(C3CCCCC3)C2=O)cc1 218748701 ZJNLHTWNGPZJLN-QFIPXVFZSA-N 369.509 3.960 0 1 FHAF FC(F)(F)c1ccc(Cl)c(OC2CCN(c3nccnn3)CC2)c1 72317672 JXSVFZOGHIRBMH-UHFFFAOYSA-N 358.751 3.592 0 1 FHAF O=C(O)C[C@@H](Cc1ccc(F)c(F)c1)NC(=O)c1ccc2ccccc2c1 49112479 ZVZAYUWJICUFIH-QGZVFWFLSA-N 369.367 3.934 0 1 FHAF COc1c(CC=C(C)C)c(O)cc(O)c1[C@@H]1Oc2cc(O)ccc2C1=O 85996831 WLDXQYSLYHUZTM-FQEVSTJZSA-N 356.374 3.637 0 1 FHAF endogenous,in-man CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)C[C@H](O)[C@@]32F)C1 45318357 NLSPRPLEBHRNMO-ZRAPJWFQSA-N 366.473 3.593 0 1 FHAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C3(C)CC3)nnc2c1 84741387 REGFSKAVJRCHTE-UHFFFAOYSA-N 364.424 3.788 0 1 FHAF in-vitro CC(C)/C=C\c1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O 199356681 BEALEKDGCXYWLB-HYXAFXHYSA-N 354.358 3.952 0 1 FHAF COc1oc(C[C@H](O)CCCCCOc2ccccc2)c(C)c(=O)c1C 49784549 MEOFZTUZGINXEN-QGZVFWFLSA-N 360.450 3.808 0 1 FHAF CC[C@@H](C)NC(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 82140891 ZSSORUWRBBWRJD-CQSZACIVSA-N 356.445 3.801 0 1 FHAF COc1ccc(NC(=O)c2cc(-c3ccncn3)nc3ccccc23)cc1 95577197 QJLIXBJBVXVIBP-UHFFFAOYSA-N 356.385 3.953 0 1 FHAF O=C(CN1CCCCC1)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1 95556918 HXEUBQJOAYELLW-UHFFFAOYSA-N 353.253 3.604 0 1 FHAF COc1cc(CCCC[C@@H](O)CCc2ccc(O)c(OC)c2)ccc1O 299837427 QULDKTVXEABZJR-QGZVFWFLSA-N 360.450 3.822 0 1 FHAF Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1N 586986929 HPGBBROZPXSXEZ-UHFFFAOYSA-N 353.381 3.983 0 1 FHAF COC(=O)CCCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595279 QWINSLSSEGKIAR-VQIMIIECSA-N 370.401 3.846 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccn1CCc1ccccn1)[C@@H](C2)C3=O 587431366 OEJOMIPJUMHYQA-JTSKRJEESA-N 360.413 3.623 0 1 FHAF CCc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587149676 PJQGTQOIZBYXTD-AWEZNQCLSA-N 355.388 3.920 0 1 FHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(O)cc2[nH]1 587258746 RTHGVFZEKFSRPS-KRWDZBQOSA-N 360.417 3.840 0 1 FHAF CCn1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587763282 IUNJZFXZAYODFV-JDNHERCYSA-N 352.251 3.737 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3cc(C)ccc31)CC2=O 587483384 FLBSVVPJHYRGBL-NRFANRHFSA-N 352.386 3.823 0 1 FHAF O=C(O)CCc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O 587944484 CSWWPYQVLBJCFX-MRXNPFEDSA-N 373.380 3.871 0 1 FHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(Cl)ccnc3[nH]2)C(F)(F)C1 587131611 AANIRFACKLNMGN-QMMMGPOBSA-N 358.776 3.581 0 1 FHAF Cc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587776078 WCVPSRGQBSFCDM-PWJLMRLQSA-N 353.235 3.991 0 1 FHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C)c(C)cc3[nH]2)cc1 586940900 JRZBPIFPCBQKCL-CMDGGOBGSA-N 355.463 3.578 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](O)C(C)(C)C2)N1 587833273 MRHDGVNXOWUYMZ-FNDUUJAJSA-N 356.279 3.889 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ncc(Br)cc13)O2 587371730 MPELMZWYMJGBEH-OAHLLOKOSA-N 372.222 3.923 0 1 FHAF C[C@]1(c2ncccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333382 CTWXBIZIMDQYQQ-PXNSSMCTSA-N 350.349 3.596 0 1 FHAF O=C1C[C@H](c2ccc(CN3CCOCC3)o2)Oc2c1ccc1c2CCCC1 587518099 AMFLXTUMRRNLMF-OAQYLSRUSA-N 367.445 3.697 0 1 FHAF O=C1COc2cc3[nH]c(-c4cccc(-c5ccc(O)cc5)c4)nc3cc2N1 586898158 MQXSLNSVNPHJDN-UHFFFAOYSA-N 357.369 3.933 0 1 FHAF CCOC(=O)Cc1ccc2[nH]c(-c3nc4ccc(OC)cc4s3)nc2c1 587035984 YGJBQUBEZIXMJJ-UHFFFAOYSA-N 367.430 3.954 0 1 FHAF Cc1cc2c(cn1)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588690 UNMBVGXDFIGKAU-KNQAVFIVSA-N 359.381 3.899 0 1 FHAF Cc1nn(C)c([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1Br 963118529 ZRAWCZFDJAAHRT-CJNGLKHVSA-N 364.262 3.740 0 1 FHAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccco4)n3)ccc21 12471751 BPPUUWBBFKGZJS-UHFFFAOYSA-N 367.430 3.955 0 3 FHAF CCN(CC)CCNC(=O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 13451341 PBKDIZDDELFTGW-YOEHRIQHSA-N 350.890 3.830 0 1 FHAF O=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)n1-c1cc(O)ccc1Cl 13558790 SWFBEHSNYHTQFX-UHFFFAOYSA-N 355.703 3.605 0 1 FHAF O=C1c2ccc(COc3cccc(F)c3)nc2CCN1c1ccc(F)cn1 165841306 WSLOMUUZOMJLPV-UHFFFAOYSA-N 367.355 3.537 0 1 FHAF OC[C@@H](NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 204759602 AGMLGKBEXFYRMH-GOSISDBHSA-N 373.378 3.986 0 1 FHAF c1ccc(COc2cccc(-c3cn([C@H]4CN5CCC4CC5)nn3)c2)cc1 1857563570 VJEPFPRUUZASOL-QFIPXVFZSA-N 360.461 3.791 0 1 FHAF COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1Cl 1857597961 ZXTYGHVHFZGAAU-UHFFFAOYSA-N 373.840 3.509 0 1 FHAF CC(C)c1nc2c(N3CCNCC3)nccc2n1Cc1cccc(Cl)c1 1857745352 RRPRGLHPLTWANZ-UHFFFAOYSA-N 369.900 3.666 0 1 FHAF CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O 1491373 CVIBDXQYFNZNMA-ZBFHGGJFSA-N 368.485 3.591 0 1 FHAF CCOC(=O)[C@H]1CCCN(C(=O)c2cc3c(C)nc4ccccc4c3o2)C1 4035294 KXLJFGCARHXIFM-AWEZNQCLSA-N 366.417 3.705 0 3 FHAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215794 AOBKGJUWHPBGOH-WQANXHIZSA-N 364.486 3.817 0 1 FHAF C[C@@](O)(C(=O)Nc1cc(C(=O)c2ccccc2)ccc1Cl)C(F)(F)F 26377323 KCGPTSLZXOEQGW-MRXNPFEDSA-N 371.742 3.823 0 1 FHAF CCc1ncnc(N[C@@H](C)c2ccc3c(c2)N(C(C)=O)CCO3)c1Cl 28887607 QZQKFMWKYPVQDT-NSHDSACASA-N 360.845 3.611 0 1 FHAF O=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1cccs1 29123835 KKEVFJDNPFXUQH-UHFFFAOYSA-N 361.386 3.851 0 1 FHAF COc1ccc(NC(=O)[C@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)cc1 61906756 UNSYAWLFWYKPRP-LJQANCHMSA-N 364.376 3.839 0 3 FHAF COC(=O)/C1=C\CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H](O)/C(C)=C/CC1 38620267 QXZPKAWLIRITRB-VZFQLHBCSA-N 360.450 3.545 0 1 FHAF CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(O)cc2)NC(=O)N1 73314334 UWMZKGGZGIBTDI-SFHVURJKSA-N 358.438 3.534 0 1 FHAF COc1cc(-c2n[nH]c3ccnc(-c4ccoc4)c23)cc(OC)c1OC 74388497 PKMXDSSIPYYQAG-UHFFFAOYSA-N 351.362 3.911 0 3 FHAF CN[C@H](CSC)c1nccc2c1[nH]c1ccc(O)c(Br)c12 15209762 RGJZFVKMTLBCJY-SNVBAGLBSA-N 366.284 3.808 0 1 FHAF biogenic COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](C)[C@@H]2C)cc(O)c1O 14435121 JDTLASIBQWZXNQ-PSVSLLHZSA-N 374.433 3.789 0 1 FHAF biogenic Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc(F)cc3Cl)C[C@@H]12 74377163 DLRCQNNHRCBDLA-WBVHZDCISA-N 358.800 3.663 0 3 FHAF CC(C)(C)C(=O)Nc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224735785 PGGFGJPVGQAWLI-UHFFFAOYSA-N 365.412 3.912 0 1 FHAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3)n2)C1 82133068 NDEMZDBCZOQDSX-CALCHBBNSA-N 364.493 3.862 0 1 FHAF Clc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1Cl 143091187 LXOWFGNHHGLQFD-UHFFFAOYSA-N 354.285 3.531 0 1 FHAF CCCCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl 653709016 JEWRUDQQDKUXPA-UHFFFAOYSA-N 353.875 3.911 0 1 FHAF O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc2ccccc2c1 653901733 JSKWLYZBMWLRRI-UHFFFAOYSA-N 363.461 3.641 0 1 FHAF COc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1F 587006625 KMCLRFVKVPRTDB-UHFFFAOYSA-N 361.174 3.788 0 1 FHAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1CC=C[C@H]2C[C@H](C(=O)O)C1 587529272 MQOCNCAUZYLMEF-FENNVDPPSA-N 352.430 3.956 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCC(=O)O)CC2=O 587485327 VINXGNFECAVDNH-NRFANRHFSA-N 370.401 3.689 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cccc1F 587559380 WPVWBYFNINBSTA-PXNSSMCTSA-N 352.317 3.940 0 1 FHAF CCCOc1cc2nc([C@H](O)C3CCOCC3)[nH]c2cc1Br 586913864 REAWZHDLDXLRHI-OAHLLOKOSA-N 369.259 3.574 0 1 FHAF CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587580920 JXAYIZZNPZVEHM-FXAWDEMLSA-N 350.374 3.702 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1nn(C)c4cccc(Cl)c14)[C@@H](C2)C3=O 587424293 YPFXNPBLRRYYKS-JEOXALJRSA-N 354.793 3.724 0 1 FHAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccnn3CC)c2c1 587641528 GWXAUCRBPGTOCS-GFCCVEGCSA-N 353.422 3.915 0 1 FHAF COC(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC 587352304 WWIFMYIDYIRGQW-AZUAARDMSA-N 360.381 3.658 0 1 FHAF COC(=O)c1cc2[nH]c([C@@H](C)c3ccc(N(C)C)cc3)nc2cc1OC 587196572 WCJLACUTIDPWHM-LBPRGKRZSA-N 353.422 3.576 0 1 FHAF Cc1[nH]nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587550563 XOEKALCBVIXNCT-UGSOOPFHSA-N 356.765 3.780 0 1 FHAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CC(=O)NC[C@@H]41)-c1ccccc1C2=O 587096267 ILEBPFUDORGULR-MLGOLLRUSA-N 354.409 3.530 0 1 FHAF Cc1[nH]nc2c1[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798721 VNWXAOYUSTUCQN-XYZCENFISA-N 364.262 3.734 0 1 FHAF COC(=O)c1ccc2nc(-c3cnc(C)c(Br)c3C)[nH]c2c1 586979372 LKFWVILEEMAGLM-UHFFFAOYSA-N 360.211 3.791 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccn2C(F)F)N1 587719383 QNNCPYDKIFUPHT-JMCQJSRRSA-N 360.177 3.803 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc3nc(OC)ccc3[nH]1)CC2=O 587485771 QVYVIZRSZNDAIH-SFHVURJKSA-N 352.390 3.936 0 1 FHAF Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587596232 PWGBKTDPTFUJEU-XMSQKQJNSA-N 373.364 3.510 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(Br)cc3[nH]1)C2 587247588 UHLFAIXKUIDNNJ-SFHVURJKSA-N 372.266 3.677 0 1 FHAF CCc1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587203808 UNWWIHWIZRAGKO-QGZVFWFLSA-N 367.405 3.568 0 1 FHAF Cc1nc(C)c(Cc2nc3cccc(I)c3[nH]2)s1 587011451 GUEJXUJTSLZMRT-UHFFFAOYSA-N 369.231 3.832 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 587932302 NJSVSAWKEVNFIP-QRWLVFNGSA-N 370.474 3.810 0 1 FHAF CCn1ncc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546135 IKMOCXAUWGKARM-KXBFYZLASA-N 370.792 3.965 0 1 FHAF COC(=O)C1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587812485 ZOJHBAQVBLUNKA-LJRHVDQYSA-N 370.262 3.681 0 1 FHAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587936945 NDOIWPMOYLLTFV-FVMDXXJSSA-N 362.332 3.730 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2CCO 587609674 OVEQNODENBNVIO-XQAUZQBESA-N 354.402 3.665 0 1 FHAF Cc1ccc2cccc(OCCCOc3ccc(F)c(C(N)=O)c3F)c2n1 1772647252 SWIIPQUNVFZKRO-UHFFFAOYSA-N 372.371 3.768 0 1 FHAF CC(C)Nc1ccccc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 5835134 DFWRXQXSHAYVFI-UHFFFAOYSA-N 362.477 3.951 0 1 FHAF COC[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3C)nc2)C1 19744794 ZUQBVZPHNFDHMA-KRWDZBQOSA-N 353.466 3.501 0 1 FHAF Cc1cnnc(N2CCC(Oc3cc(C(F)(F)F)ccc3Cl)CC2)n1 166308294 JCKWAMLBAVAUAV-UHFFFAOYSA-N 372.778 3.900 0 1 FHAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2Cl)cc1 1857636014 DYYGKKOMVRPVFZ-HNNXBMFYSA-N 368.216 3.948 0 1 FHAF COc1ccc(-c2oc3ccc(C(=O)O)cc3c(=O)c2OC(C)C)cc1 1841473 MMLQCHMMXJUGBX-UHFFFAOYSA-N 354.358 3.954 0 1 FHAF Cc1c([C@H]2Cc3ccccc3N2C(=O)/C=C\C(=O)O)c2ccccc2n1C 102917087 KORJBGWASHRBCG-YAINUAMHSA-N 360.413 3.758 0 1 FHAF C[C@@H](Nc1c(Nc2ccnc(-c3ccco3)c2)c(=O)c1=O)c1ccccc1 100081698 WSGJNLVHAHAWQS-CYBMUJFWSA-N 359.385 3.854 0 1 FHAF Cc1ccc([S@@](=N)(=O)NC(=O)Nc2ccc(Br)cc2)cc1 101832860 NICNOABGSGYORI-NRFANRHFSA-N 368.256 3.900 0 1 FHAF CCCCC/C=C\C[C@H]1O[C@H]([C@@H](O)C/C=C\CCCC(=O)O)C[C@@H]1O 28895959 AWZVRICAMPEGBC-RVVOODAMSA-N 354.487 3.594 0 1 FHAF COc1ccc(CNc2nc(N3CCCC3)nc3c2ncn3C(C)C)cc1 26647836 LEMGWJIOWMCOTB-UHFFFAOYSA-N 366.469 3.628 0 1 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1C[C@H](C)C(=O)C3 100785461 JKRWGJJCQQNKLV-XFXDKIQJSA-N 353.506 3.979 0 1 FHAF CCc1ccccc1N(CC)C(=O)Cc1nc(-c2ccc(OC)cc2)no1 20921523 IFFARWYAJQXQGH-UHFFFAOYSA-N 365.433 3.903 0 1 FHAF CCCCC[C@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 101791196 OMZWQYNMKBPQOL-WMCOEFDASA-N 369.505 3.740 0 1 FHAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CCCCC2)nc1 29038986 ZBPVGESSJRCGSD-UHFFFAOYSA-N 373.400 3.737 0 1 FHAF Cn1c(=O)c(Nc2ccc(NC(=O)c3ccco3)cc2)nc2ccccc21 28522996 IUHHLLSLOZCQJI-UHFFFAOYSA-N 360.373 3.522 0 1 FHAF CCC=CCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@@H]1CC=CCCC(=O)O1 2356674364 FGQRGNDJJATRPA-SSTJLMRISA-N 360.494 3.855 0 1 FHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=CC(=O)O)[C@H](C)[C@H]3C(=O)C[C@@H]12 2356737635 LXJSFBJEYLPDJS-BUQMGROJSA-N 362.466 3.618 0 1 FHAF CCCCCCc1cn(-c2ccc(O)c(C(=O)N3CCCCC3)c2)nn1 71318612 LISMNUAWPFMRRC-UHFFFAOYSA-N 356.470 3.722 0 1 FHAF O=C(CNC(=O)C1CCCC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 30891004 ZQSUXBCZQKUSDE-FQEVSTJZSA-N 370.880 3.852 0 1 FHAF COc1ccn2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)cc2c1 71317556 DSEPAQWNNVVFPT-UHFFFAOYSA-N 355.390 3.513 0 1 FHAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(O)ccc2c1 40829020 YCLJBRKKEVTLPL-UHFFFAOYSA-N 368.385 3.811 0 1 FHAF O=C1CCC/C=C\C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2/C=C/[C@@H](CCc2ccccc2)O1 148690152 RIBUBQDYGJHEOM-MTDOSWCTSA-N 370.489 3.575 0 1 FHAF O=C(N[C@H]1CCC[C@@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1ccccn1 95590587 WULJJNIUCIHCRO-JXFKEZNVSA-N 369.852 3.623 0 1 FHAF Oc1nc2sccc2c(N[C@@H]2CCCNC2)c1-c1nc2ccccc2[nH]1 299830776 ORNADCNXUPZOQN-LLVKDONJSA-N 365.462 3.709 0 1 FHAF COc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1OC 587077015 QTYBFWZONQVKHA-KRWDZBQOSA-N 357.797 3.851 0 1 FHAF Cc1nsc(N)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617851 LFVPQEXZPKIUDK-BEFAXECRSA-N 368.414 3.616 0 1 FHAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ncc[nH]c-2n1 587035577 VQHIKKFFYYGOPQ-LBPRGKRZSA-N 351.435 3.790 0 1 FHAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cc(F)cc(F)c1)[C@@H](C2)C3=O 587428502 NMJCGHGWAVHIPN-GQANSBOFSA-N 371.383 3.692 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccnc(OC)c4[nH]3)c2)c1 587235120 LJCWQXNEQYWMCZ-UHFFFAOYSA-N 372.428 3.584 0 1 FHAF COC(=O)c1ccc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c1OC 586912468 SMISRGOLDOLXLI-UHFFFAOYSA-N 352.390 3.695 0 1 FHAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cnn(C)c3C)c2c1 587643235 SDMVEFLIMZINMV-NSHDSACASA-N 353.422 3.741 0 1 FHAF Cc1cnc2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2c1 587198079 GDRXPAZKMYRSME-UHFFFAOYSA-N 357.417 3.792 0 1 FHAF C[C@]1(c2cc(N)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554301 CYQRUJGLDPWBGH-WIYYLYMNSA-N 365.360 3.991 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587017562 YFAHQKUOMFLCBK-GFCCVEGCSA-N 363.826 3.978 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3nccnc23)N1 587796903 ROBQWHIHMXABSX-BJOHPYRUSA-N 373.229 3.550 0 1 FHAF O=C1C=C[C@]2(C[C@H](OC(=O)/C=C/c3ccccc3)[C@@H](c3ccccc3)O2)O1 1772651098 SGSAJTBMFFIZRD-SZQWINDLSA-N 362.381 3.583 0 1 FHAF Cc1cc(-c2nc3cc(Cl)cnc3n2Cc2ccccc2)cn(C)c1=O 1772574996 AYXMXVDTYOAXGD-UHFFFAOYSA-N 364.836 3.807 0 1 FHAF Oc1cn(-c2ccc(Cl)cc2)nc1-c1nnc(S)n1-c1ccccc1 5939431 CEINKXAFWDLUCW-UHFFFAOYSA-N 369.837 3.768 0 1 FHAF CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3ccccn3)C2)c1 12203040 KGFSUDAWJFFURI-QGZVFWFLSA-N 352.434 3.604 0 3 FHAF Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC(=O)O)c(C2CCCCCC2)c1 13861076 AMEFGKQQBOIUOK-MSOLQXFVSA-N 364.482 3.707 0 1 FHAF O=C(OCCN1CCCCCC1)[C@](O)(c1ccsc1)C1CCCCC1 13864153 GYEBDAYJLRHFBT-HXUWFJFHSA-N 365.539 3.935 0 1 FHAF Cc1ccc2c(C)c(C(=O)N3CCN(Cc4ccccn4)CC3)oc2c1C 19795020 VLCDCLDPRRNTQW-UHFFFAOYSA-N 363.461 3.711 0 3 FHAF COC(=O)/C1=C\CC[C@@H]2O[C@H]2CC/C(C(=O)OC)=C/C=C(\C(C)C)CC1 169370766 NJAATXWPYRPTPP-NTJROHSQSA-N 362.466 3.889 0 1 FHAF CC[C@H]1c2[nH]c3ccccc3c2Cc2c(O)n(-c3ccc(F)cc3)c(=O)n21 169691443 LJFFPSOXYOKVSD-KRWDZBQOSA-N 363.392 3.869 0 1 FHAF COc1cc(N[C@H](C)CCCN/C(C)=C2\CCOC2=O)c2ncccc2c1 3802899 ADCOUXIGWFEYJP-GBUWSYLDSA-N 369.465 3.635 0 1 FHAF in-man O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1 1650093 VYYHECSZIFMLKM-ZDOMSUIMSA-N 363.438 3.684 0 1 FHAF Cc1ccc(S(=O)(=O)N(c2ccccc2F)[C@@H]2CCCC[C@H]2O)cc1 1663001 RDEWYSPZHTYTSS-RTBURBONSA-N 363.454 3.633 0 1 FHAF COc1ccc([C@H]2C[C@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1 2918589 AXTUHCPASKJLIR-HUUCEWRRSA-N 359.792 3.621 0 1 FHAF O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccncc1 29551790 MZJIJJIHVGGOAC-UHFFFAOYSA-N 368.400 3.930 0 1 FHAF CC(C)(C)CCN1CCC[C@H](NC(=O)COc2ccccc2Cl)C1 66156274 LJIWANQMRGKDSD-HNNXBMFYSA-N 352.906 3.736 0 1 FHAF CCOC(=O)c1cnc2ccc(OCC)cc2c1NC[C@H]1CCCN1CC 45321402 JDTWWYUMTZWCLP-OAHLLOKOSA-N 371.481 3.706 0 1 FHAF c1ccc(N2CCN(CCCSc3nc4ccccc4s3)CC2)nc1 40407775 WFKQHFRAVGTTCE-UHFFFAOYSA-N 370.547 3.996 0 1 FHAF in-vitro Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)c(F)cc3F)sc2n1 96934910 LBOIVCXQNHTKCE-UHFFFAOYSA-N 365.380 3.843 0 1 FHAF 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[C@H]3O[C@@]312 255261292 QONQRTHLHBTMGP-YXEKNNFQSA-N 372.505 3.621 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)O[C@@H](C)c1ccccc1)O2 587402220 VZLVFOBCVTXXOG-LHSJRXKWSA-N 353.418 3.996 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3[nH]c(C(=O)O)c(C)c31)CC2=O 587485376 RZHYJSACNSASRN-NRFANRHFSA-N 369.417 3.876 0 1 FHAF Cc1ccc2c3c(c4c(nc13)C[C@H]1CNC(=O)C[C@@H]41)-c1ccccc1C2=O 587097028 NSHQOUOKIHFGMQ-BLLLJJGKSA-N 354.409 3.530 0 1 FHAF CN(C)C(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076935 PLLCASJQUZLLIT-QGZVFWFLSA-N 368.824 3.535 0 1 FHAF CCOC(=O)c1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)on1 587527996 VWOVHUGTKHOUPX-FQEVSTJZSA-N 355.390 3.611 0 1 FHAF CC(C)n1cncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587755080 ODAAIUMDUCQMJH-MGPLVRAMSA-N 352.251 3.989 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)co2)N1 587829028 PUXVWNBFXYWWMA-PWJLMRLQSA-N 368.202 3.677 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCN3Cc4ccccc4N[C@H]31)CC2=O 587485304 RTRBVYIUGKLUTN-FGZHOGPDSA-N 364.445 3.706 0 1 FHAF CC[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442668 MYMLLJAZPYDHLE-VFNWGFHPSA-N 354.402 3.765 0 1 FHAF COC(=O)c1ccc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1OC 586886284 FGBOVCHADXCMNL-SJKOYZFVSA-N 354.406 3.504 0 1 FHAF CCn1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587739809 VWSDFLMJLDKPHT-CLAHSXSESA-N 356.214 3.567 0 1 FHAF CCCOc1ccc([C@@]2(CC)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962923494 RBPLQBNJKXDYDG-PZJWPPBQSA-N 357.425 3.867 0 1 FHAF Cc1ccc(C(=O)C[C@@]2(C(F)F)NCCc3nc4ccccn4c32)cc1C 962981215 FDSMMOFULSPGHN-OAQYLSRUSA-N 369.415 3.830 0 1 FHAF Cc1noc(C)c1-c1ccc2ncnc(NC[C@@H]3CCCCN3C)c2c1 13828603 VBBQLTUTNDYBQT-INIZCTEOSA-N 351.454 3.798 0 3 FHAF CC1=NC(=O)N[C@H](c2ccc(OC(C)C)cc2)[C@@H]1C(=O)OC1CCCC1 169719424 IADSWZBNUQKRFR-QZTJIDSGSA-N 358.438 3.801 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1Nc1ccccc1 206112743 VQGGQIGYLGHRNK-UHFFFAOYSA-N 369.428 3.963 0 1 FHAF CCCCOC(=O)Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](O)C[C@@H]21 1857545837 BFPYSJMEGNMOPV-BZUAXINKSA-N 362.466 3.694 0 1 FHAF CO[C@H](c1[nH]c(=NC(C)C)nc(O)c1C)c1c(Cl)cccc1Cl 1857559621 MQMLGUDKZRRVRV-AWEZNQCLSA-N 356.253 3.775 0 1 FHAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccsc1 774130 FIBDSZHTVHTYCH-CQSZACIVSA-N 372.446 3.579 0 1 FHAF C[C@@H]1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)C1 3895556 DATXYHWLIOTALJ-NIKGAXFTSA-N 368.502 3.917 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1cccc([C@H](C)N(C)C)c1)C2 28335355 GIDXPSSLLTWPAM-RNODOKPDSA-N 355.434 3.513 0 1 FHAF O=C1[C@H]2[C@H]3[C@@H]4[C@H](OCc5ccccc5)[C@@H]5[C@@H]3[C@@H](OCc3ccccc3)[C@@H]2[C@@H]5[C@@H]14 102915357 QFZSTWQCQZIKSY-DWJCJWPLSA-N 372.464 3.724 0 1 FHAF COC(=O)c1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 100621254 YWCRMOJSDWHBAT-NQIIRXRSSA-N 374.440 3.676 0 1 FHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@H](CC5=CN[C](N)C=C5)C4)(C[C@@H](N)[C@H]31)O2 2356864877 XMHHIDXDIZSJNN-HDZOOBDWSA-N 370.561 3.739 0 1 FHAF CO[P@](=O)(c1c(C(N)=O)[nH]c2ccc(Cl)cc12)C1CCCCC1 34821193 VRJWXYOMWZIWBE-QHCPKHFHSA-N 354.774 3.803 0 1 FHAF C=CC1=C(C(=O)NCCc2ccc(F)cc2)[C@@H](c2ccc(OC)cc2)OC1 73219511 LHBXNNDWFRLAHU-OAQYLSRUSA-N 367.420 3.747 0 1 FHAF COc1c2c(c3ccoc3c1OC)O[C@@H](c1ccccc1)[C@@H](OC)C2=O 13480688 RQFGLCAICBCPKW-KXBFYZLASA-N 354.358 3.781 0 1 FHAF biogenic O[C@]1(c2ccc(-c3nc4ccccc4s3)cc2)CN2CCCC[C@@H]2CO1 40951706 ZTONOAATDZXAON-DYESRHJHSA-N 366.486 3.993 0 1 FHAF in-vitro CN(C)C(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1 40951651 CGRAHNALUOBLKM-UHFFFAOYSA-N 367.384 3.510 0 1 FHAF CCCCNC(=S)NCCCNc1ccnc2cc(Cl)ccc12 40874664 ZXKDXSCVZODWTK-UHFFFAOYSA-N 350.919 3.954 0 1 FHAF Cn1c(CN2CCN(c3ccc(Cl)cc3F)CC2)nc2ccccc21 45353718 HBKFRQKTXQIBDE-UHFFFAOYSA-N 358.848 3.688 0 1 FHAF CN(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)n(-c2cccc(O)c2)n1 45350099 ILPANLYEJQKXKY-UHFFFAOYSA-N 350.466 3.999 0 1 FHAF C[C@@H]1Oc2c(c(O)c3c(c2[C@H](C)CC(=O)O)OC(C)(C)C=C3)C(=O)[C@@H]1C 238733483 MRVZBYVLLGHZED-MXWKQRLJSA-N 360.406 3.754 0 1 FHAF Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1CC1CCCCC1 95600956 QVKMBIQHSJOPPO-OAQYLSRUSA-N 367.497 3.697 0 3 FHAF Cc1ccc(-c2cs/c(=N\S(=O)(=O)c3ccccc3)n2C)c(C)c1 299825571 DKFRLOHBJRSAAT-HNENSFHCSA-N 358.488 3.660 0 1 FHAF COc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)cc(Cl)c1O 587046575 WSVXYAVVLOAKCC-UHFFFAOYSA-N 372.581 3.894 0 1 FHAF c1ccc(C[C@H]2N[C@@H](c3nc4cc5c(cc4[nH]3)OCCCO5)CS2)cc1 587041221 LTGSFAUTMRMIBK-APWZRJJASA-N 367.474 3.671 0 1 FHAF C[C@]1(c2csc(=N)[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379511 YMOROMJEKLQWHA-VQIMIIECSA-N 370.405 3.675 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cccnc1Br)[C@@H](C2)C3=O 587416569 BCYIOQCURIZXPK-SJCJKPOMSA-N 360.207 3.516 0 1 FHAF CC(C)n1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587761326 AKVTYEYJXGIRHR-QFYYESIMSA-N 352.251 3.989 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)cccc2F)N1 587718647 IXYUFRWADZOZEQ-BCTVWOGZSA-N 353.210 3.933 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)n1C)[C@@H](C2)C3=O 587424126 XMJAATFZFAZZIG-APPDUMDISA-N 351.324 3.715 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)cccc2F)N1 587717945 HADYNKPPZGOGBT-ZKANADHPSA-N 353.210 3.933 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C=O)n(C)c2)N1 587752038 PSFVDXWGESRRNV-BMLIUANNSA-N 365.246 3.537 0 1 FHAF CCOC(=O)CCc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989764 QGYUTJRZZNLWNS-UHFFFAOYSA-N 361.397 3.956 0 1 FHAF C[C@H]1[C@H](CC(=O)O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587828011 NKDINPLKMFEXPO-IBXUITPSSA-N 370.262 3.839 0 1 FHAF Cc1c(Br)cc2nc(C(C)(C)SCC(=O)O)[nH]c2c1C 586960063 RHYLGPCCADOYPL-UHFFFAOYSA-N 357.273 3.995 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccccc4F)c1)[C@@H](C2)C3=O 587425474 CZJGBUBBIIANJJ-XOBRGWDASA-N 350.349 3.509 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(N)c1)[C@@H](C2)C3=O 587411159 BXVVKSZXNIRFFV-GTNSWQLSSA-N 360.207 3.529 0 1 FHAF Cc1nc(C)c2c(C)c([C@]3(C)c4ccsc4CCN3C(N)=O)sc2n1 962705550 NUAJGKABBNZWCA-SFHVURJKSA-N 372.519 3.878 0 1 FHAF COCCOc1ccc2c(c1)CC[C@]21NCCc2c(OC)ccc(Cl)c21 963259017 QMCKBNSMNLYYOA-NRFANRHFSA-N 373.880 3.709 0 1 FHAF C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962898953 PHKXMCOORAMVNS-WMLDXEAASA-N 353.315 3.707 0 1 FHAF CCOc1ccc2c(c1)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772638274 ZXLZZAKFCJVPJJ-INIZCTEOSA-N 352.478 3.841 0 1 FHAF CCCOc1cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2n1 5836375 YKJIHAHNAACYCO-XYPWUTKMSA-N 354.450 3.806 0 1 FHAF CNCC[C@@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 13491905 GEINFTMBZZZXQR-OAQYLSRUSA-N 350.506 3.729 0 1 FHAF COc1cc2c(cc1OC)[C@H]1C[C@H](NCCF)[C@@H](CC(C)C)CN1CC2 169303193 YMERYCTWSIREBR-YTQUADARSA-N 364.505 3.597 0 1 FHAF COc1ccc([C@H]2CC(=O)[C@@H]3C(=Nc4ncnn4[C@@H]3c3ccccc3)C2)cc1 169686748 LBQJZEHXATVNNM-TYCQWZJGSA-N 372.428 3.725 0 1 FHAF C[C@@H](Cc1n[nH]c(=O)c2c1CCCC2)c1ccc(F)c(Br)c1 167686474 NATDPRNEHBBMBO-JTQLQIEISA-N 365.246 3.897 0 1 FHAF c1ccc(Cn2cc(-c3c[nH]c4ncc(-c5ccncc5)nc34)cn2)cc1 209051286 DXPGARZCBUYRNE-UHFFFAOYSA-N 352.401 3.932 0 1 FHAF in-vitro COC(=O)C1=CCCC(C)=C[C@H]2OC(=O)C(C)=C2C[C@@H](O)C(C)=CCC1 2356429311 QXZPKAWLIRITRB-RTBURBONSA-N 360.450 3.545 0 1 FHAF Cc1nc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)co1 59263159 SJCPAVQYCMSYEE-YJBOKZPZSA-N 368.481 3.607 0 1 FHAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(C)c1 58569023 JVCDYWSTZSHMIN-SFHVURJKSA-N 357.450 3.745 0 1 FHAF CC(=O)COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103240120 SZFIHKIRINEKEA-UHFFFAOYSA-N 358.777 3.993 0 1 FHAF Cc1cc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)no1 23994061 SVWGHMQKZYGAIP-IAGOWNOFSA-N 367.430 3.594 0 1 FHAF CC(C)Cn1c(=O)[nH]c(=O)c2cn(CC3=Cc4cccc5cccc3c45)cc21 26576521 BXWQOIQGPVHUGH-UHFFFAOYSA-N 371.440 3.855 0 1 FHAF C[C@@H](O)[C@@]1(O)C[C@H]2[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 2356322153 ZOTNOPONJVMHKM-AMFKZLBASA-N 350.543 3.892 0 1 FHAF COc1cc([C@H]2CN=C(c3cc4ccccc4[nH]3)O2)cc(OC)c1OC 27524671 OPGVKQSOFDJAFY-GOSISDBHSA-N 352.390 3.712 0 1 FHAF COc1cc(OC)c(C[C@@H](C)[C@H](C)Cc2cc3c(cc2O)OCO3)cc1O 2356517404 IQTGLBVEPWUBII-CHWSQXEVSA-N 374.433 3.901 0 1 FHAF O=C(O)CCCCC=CCC(=O)CCC=CC=C[C@H](O)CCCC(=O)O 2356574887 RYMSXFPLTLWXCK-SFHVURJKSA-N 366.454 3.655 0 1 FHAF N[C@H](COCc1ccccc1)COc1cncc(/C=C/c2ccncc2)c1 73407421 XFTPNRUQKBIHDT-IRUYWQDXSA-N 361.445 3.570 0 1 FHAF COC(=O)[C@@]12CCC[C@]3(C=N[C@@H]1OC)[C@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@H]32 238773934 FGFRIRFLGOVJNW-QVAZHUJBSA-N 371.477 3.968 0 1 FHAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4C)OCO5)OC[C@H]23)ccc1O 263637612 OFCHTGCBFRTISG-PBFVBANWSA-N 370.401 3.513 0 1 FHAF COc1ccc(CCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC1CCCC1 299834720 VEZBZXKJDGSUNZ-IYBDPMFKSA-N 361.482 3.585 0 1 FHAF CCOC(=O)[C@H]1[C@@H](c2ccc(OC)c(OC)c2)[C@H]1C(=O)c1cccs1 653820949 AFFOTHHVEPRFPM-BBWFWOEESA-N 360.431 3.541 0 1 FHAF CC(C)Oc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587009214 XNMWGMDHBYFUCF-UHFFFAOYSA-N 372.226 3.822 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCOc4ccc(OC)cc41)[C@@H](C2)C3=O 587449137 AFOCDRSMWRMJPD-HRAATJIYSA-N 352.386 3.519 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(O)ccc1Br)[C@@H](C2)C3=O 587415045 ZVEHVVIHDREFNE-YVEFUNNKSA-N 361.191 3.652 0 1 FHAF COc1ccccc1Nc1ccccc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587240738 JKDJHGRCKCQKTN-UHFFFAOYSA-N 366.812 3.790 0 1 FHAF Cc1ccc(OCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587565695 QDHQJPQZCRYNCW-UHFFFAOYSA-N 361.405 3.510 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(Br)cn1)[C@@H](C2)C3=O 587419098 SFKBKOAGYRWYQW-GTNSWQLSSA-N 360.207 3.650 0 1 FHAF COc1ccc(Cc2nc3c(C)c(Br)cnc3[nH]2)c(F)c1 587148156 CSPAPUCMCKPGEY-UHFFFAOYSA-N 350.191 3.767 0 1 FHAF CC[C@]1([C@@H]2CCCNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598979 ZHILDYHWSGBLDE-YMTYPPQLSA-N 353.418 3.502 0 1 FHAF COCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587831475 XGRJLHVJRDIXHW-ABKXIKBNSA-N 354.219 3.951 0 1 FHAF C[C@]1(C[C@@H]2CCCCN2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596242 PWXONZJPSOEAAG-DHUIEDIVSA-N 353.418 3.645 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C(N)=O)cc3)o1)O2 587391428 UAAMCKKQHRBANB-IBGZPJMESA-N 362.385 3.643 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CCN(C)CC2)N1 587764970 AVLLRYCEODOVLM-XHDPSFHLSA-N 355.295 3.895 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1nccc(C(F)(F)F)n1)CC2=O 587464676 VUTMXTLNGLORNF-CYBMUJFWSA-N 352.312 3.860 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)c(N)c1)[C@@H](C2)C3=O 587414501 VWMDBHDGJHQVSK-SGTLLEGYSA-N 374.234 3.703 0 1 FHAF O=C(O)c1cccc2c1CCN[C@@H]2c1c(Cl)nc2cc(Cl)ccn12 963119150 CUAWZDBTCNFMMD-AWEZNQCLSA-N 362.216 3.574 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(-c2cccs2)nn1C 963636346 QEIHOTVDBTUPTG-YUNKPMOVSA-N 369.490 3.789 0 1 FHAF COc1cc2ncnc(NCc3ccc4c(c3)OCO4)c2cc1SC 13737680 GQEHXFUURZIBAW-UHFFFAOYSA-N 355.419 3.701 0 1 FHAF N#Cc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 35982740 OHKJXKCVNKFTSD-UHFFFAOYSA-N 359.414 3.739 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCO 4213740 MFPAYBFIHNGOKB-SJORKVTESA-N 370.852 3.602 0 1 FHAF COc1cc(O)c2c(=O)cc(-c3cccc(OC(F)(F)F)c3F)[nH]c2c1 28455324 KLCYTRWMFNBOBK-UHFFFAOYSA-N 369.270 3.947 0 1 FHAF O=C1O[C@H](c2ccccc2)[C@@](Cn2cncn2)(c2ccccc2Cl)O1 26005134 WGYNGUPGPFBECC-SJLPKXTDSA-N 355.781 3.735 0 1 FHAF CCC(=O)Nc1cccc2c(OC[C@@H](O)[C@@H](C)NC(C)(C)C)cccc12 28768504 ILFWZUZIDVBQIT-RDTXWAMCSA-N 358.482 3.705 0 1 FHAF CC(C)c1ccc(-n2c(=O)oc3ccc(Br)cc3c2=O)cc1 64549819 KCPMDZXRVUTCCP-UHFFFAOYSA-N 360.207 3.830 0 1 FHAF C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N(C)C 27559414 PKNMKZPILBHOLY-GFCCVEGCSA-N 360.841 3.524 0 1 FHAF CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1OC(F)F 26270311 BZTHGDVJBAKAMM-MLJWKTOOSA-N 354.309 3.770 0 1 FHAF COc1ccc2c(c1OC)CN(C)[C@H]1c3cc4c(cc3C=C[C@@H]21)OCO4 2356845558 OGDCDPWBKHUIEV-VBKZILBWSA-N 351.402 3.730 0 1 FHAF O=C(O)c1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 72108485 RIIFUEBZKPXUJL-UHFFFAOYSA-N 371.392 3.971 0 1 FHAF COc1ccccc1-c1cn2c(-c3cccc(F)c3)c(CN)c(C)nc2n1 35982806 STJFISCADFIYRS-UHFFFAOYSA-N 362.408 3.978 0 1 FHAF N=c1nc(-c2cc3c4c(c2)Oc2ccccc2N=C4NN3)cc(C2CC2)[nH]1 1911575474 OKPGXTIABXKZRF-UHFFFAOYSA-N 356.389 3.548 0 1 FHAF C[C@H](NC1=NC(=O)[C@](C)(C(C)(C)O)S1)c1ccccc1C(F)(F)F 40848958 ZOWSXPJLDABSMI-BJOHPYRUSA-N 360.401 3.515 0 1 FHAF COCCn1c(C(C)C)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82197185 WZNCJSYRBZOFIF-HNNXBMFYSA-N 353.470 3.812 0 1 FHAF CS(=O)(=O)c1ccc2[nH]cc(Cc3ccc(Br)cc3)c2c1 84738973 KIVFUGLJQUWVEG-UHFFFAOYSA-N 364.264 3.925 0 1 FHAF Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3s2)cc(-n2nc(C)nc2C)n1 142976343 ILUOQWOXFGLFDY-KBPBESRZSA-N 362.462 3.863 0 1 FHAF Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NC(C)C)cn1 142690479 JNWXIPVJZKGMIM-UHFFFAOYSA-N 350.422 3.795 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Br)c2)C[C@H]2CC[C@H]1N2C 261085333 CLDUXOXUODATIA-FKGLVLAHSA-N 372.690 3.842 0 1 FHAF Cc1cc(C(=O)O)nc(N2CC[C@H](COc3ccccc3C(C)(C)C)C2)n1 2382222163 CGSPTCARSREFEK-HNNXBMFYSA-N 369.465 3.686 0 1 FHAF COC(=O)C1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587349003 IAXKXFBKXWXEOG-PXNSSMCTSA-N 370.376 3.602 0 1 FHAF CC[C@H](C)Sc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587450251 SGBVNDSMFSCNAQ-LWGAZXOISA-N 356.447 3.865 0 1 FHAF CC(C)COC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796929 ULVLKXOCNNVDBM-GTNSWQLSSA-N 372.278 3.927 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587418110 AUYVZRDMVOKNTI-GTNSWQLSSA-N 350.292 3.908 0 1 FHAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(O)nncc2[nH]1 586980648 CFYJFMXEKWZZNE-UHFFFAOYSA-N 370.210 3.587 0 1 FHAF COC(=O)CC[C@H](N)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587260391 VFILLLVCCVKFCF-LBPRGKRZSA-N 366.446 3.793 0 1 FHAF COc1ccc2c(c1)C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599900 IRCZYBLGMUCCEH-NZQKXSOJSA-N 374.392 3.900 0 1 FHAF CC(=O)O[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586992145 OXJRYVYDHJPEPR-GFCCVEGCSA-N 359.381 3.572 0 1 FHAF C[C@H]1C[C@@H](C)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349406 BYXDWDJMJVLITL-TXXXHFJNSA-N 354.377 3.874 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1n[nH]cc1Br)CC2=O 587459856 ZEMBMFQUGFAIQM-ZDUSSCGKSA-N 351.200 3.537 0 1 FHAF Cn1cc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2n1 587578857 BKNHOIGHRFHQQS-UGKGYDQZSA-N 372.380 3.982 0 1 FHAF Fc1ccc2[nH]c(-c3nc4c(S)nc(S)nc4[nH]3)c(Cl)c2c1 587175178 RRVCBGCEVWBQAF-UHFFFAOYSA-N 351.819 3.871 0 1 FHAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1 586882454 UGHHGOUEZBXGTG-VMPITWQZSA-N 359.179 3.796 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1c(N)ccc(OC)c1OC)CC2=O 587473365 SSHXBIMIWLPCHF-NRFANRHFSA-N 371.433 3.825 0 1 FHAF CCn1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587768113 ZYHHMSRBFJYPEK-QLJPJBMISA-N 352.251 3.602 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccnc1N1CCCCC1)[C@@H](C2)C3=O 587444440 PPMUYGSWUUZIAK-JXFKEZNVSA-N 350.418 3.569 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2nc[nH]c2c1 587586707 CXDCYIOBGBHSCX-RXVVDRJESA-N 358.353 3.971 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)OCCO3)N1 587837345 FZRLNLYHIQYDLC-LLVKDONJSA-N 370.262 3.635 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ncccn1)O2 587379085 SEMLJVVXPQABDJ-FQEVSTJZSA-N 365.820 3.930 0 1 FHAF CCOCCOCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587778587 OCUJMIQZYUMDDW-UHFFFAOYSA-N 371.275 3.913 0 1 FHAF Nc1c(-c2nc3ccccc3s2)c(O)cn1-c1cccc(C(=O)O)c1 958064413 SNKDCAQDRDQLJS-UHFFFAOYSA-N 351.387 3.740 0 1 FHAF COc1cc2c(cc1F)[C@]1(CC2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618026 CSYRRDYCCAOGJD-MCMMXHMISA-N 371.452 3.918 0 1 FHAF Cc1ccnc([C@]2(c3ccccc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963035527 RXURBWNPOYFNDB-BXKMTCNYSA-N 369.468 3.735 0 1 FHAF Cc1ccnc2c1CCN[C@H]2c1cccc2c1N(C(=O)OC(C)(C)C)CC2 963072727 UPZOYMPLFBQETP-IBGZPJMESA-N 365.477 3.923 0 1 FHAF CCCC(=O)Oc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O 1772585323 VQYIRQSQIXHNBI-KRWDZBQOSA-N 372.373 3.518 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 169355482 FHWOSRUUSHMKKA-QEULGJKHSA-N 356.466 3.595 0 1 FHAF N=c1[nH]cc(C(=O)c2ccc(Cl)cc2)n1-c1ccc(F)c(Cl)c1 1857656837 JUZHLJWWXUUDQU-UHFFFAOYSA-N 350.180 3.962 0 1 FHAF CCOC(=O)COc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2 1581563 YVAUIKKHGQLATI-CYBMUJFWSA-N 358.390 3.518 0 1 FHAF COc1cc(/C=C/C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@H]2C3)cc(OC)c1OC 6680593 MMMFYPLHQSTVKB-ZFWNACAASA-N 359.466 3.667 0 1 FHAF COc1cccc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccncc3)cc2)c1 100105984 NPFAOTFRDYCANK-UBRQYEGLSA-N 371.484 3.697 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C4=NCCO4)[C@H]3CC[C@H]12 26395182 MCQUWTXHJRSZGA-UQYYQHRBSA-N 358.526 3.895 0 1 FHAF CC(C)c1cc(Cn2ccc3c(NC(=O)C(=O)O)cccc32)ccc1O 103239828 AHPLOHJAEWIFEV-UHFFFAOYSA-N 352.390 3.542 0 1 FHAF COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O)O[C@H](C)C4(C)C)cc1 2356446328 FGSFNCIACIOWMJ-SNVBAGLBSA-N 368.385 3.938 0 1 FHAF O=CNCCCNCCCN1CCCCC=CCCCCCCCC1 2356489228 PJNFNNWWJVOTMR-UHFFFAOYSA-N 351.579 3.875 0 1 FHAF CSCC[C@H](C(=O)N(C)C[C@@H]1CCCN2CCCC[C@@H]12)n1cccc1 2356721120 UYJSQYYIKGZWCA-GBESFXJTSA-N 363.571 3.505 0 1 FHAF CO[C@]1(C)CC=C[C@](C)(O)CCC2=C(C)CO[C@@H]2C=C(C)CC[C@@H]1O 2356790214 FHTQNMOZPCOWNA-IVAOSVALSA-N 350.499 3.685 0 1 FHAF COc1cc(C=O)c([C@@H](c2ccc(OC)c(OC)c2)[C@H](C)C(C)=O)cc1O 14694294 KKCASOTYIFBECW-XUSGNXJCSA-N 372.417 3.588 0 1 FHAF biogenic Cc1cc(-c2ccc3nc(NC(=O)c4ccccc4)nn3c2)cc(C)c1O 1911575796 DJCLYWGVSYAFSR-UHFFFAOYSA-N 358.401 3.971 0 1 FHAF CCCCCNc1ncnc2c1nc(C(C)C)n2CCCN1CCCC1=O 82186824 FLEIEBJZVIIXFP-UHFFFAOYSA-N 372.517 3.564 0 1 FHAF CCCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 144554225 MZAHTFRWCPFQFD-FNMBKVBWSA-N 368.514 3.865 0 1 FHAF NC(=O)c1ccc(N[C@H](CN2CCCC2)c2ccccc2)c2cccnc12 144936782 VAMKHDMXMWUETC-HXUWFJFHSA-N 360.461 3.583 0 1 FHAF CCn1cc(-c2ccccc2)nc1[C@@H]1C[C@@H]1c1nc2c(C)ncc(C)n2n1 96177979 CISKNCAOUCLBQG-DLBZAZTESA-N 358.449 3.896 0 1 FHAF CNC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1 96273121 SHDKEANKRJMBBZ-UHFFFAOYSA-N 368.433 3.840 0 1 FHAF O=C(NCCc1nc(-c2ccc(F)cc2F)cs1)N1CCCCC1 653850676 HYGBPYBIQNKQKT-UHFFFAOYSA-N 351.422 3.826 0 1 FHAF COc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660677 RDPLFCUSJXGFBP-UHFFFAOYSA-N 374.371 3.900 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)O2 587393370 HGXZFQBWWXYSEV-QTCYRWPVSA-N 374.481 3.947 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3ccc(C)cc31)CC2=O 587494145 XJMKRRCHAUDRKD-NRFANRHFSA-N 352.386 3.823 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(CC(F)F)c2)N1 587718313 NLJFJHVHPSUHPG-VXJOIVPMSA-N 374.204 3.673 0 1 FHAF COc1cccc(Cc2nc3ccc(I)cc3[nH]2)c1 587930154 HIBJRTVHNZCSIR-UHFFFAOYSA-N 364.186 3.767 0 1 FHAF Cc1cnn(CCF)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587714037 FJPDSYSGXVUYBX-BMIGLBTASA-N 370.241 3.686 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccsc1 587869585 MXNOMWWOOGVJMQ-UHFFFAOYSA-N 353.325 3.723 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)cc(OC)c1O)CC2=O 587480077 MZVBQFPYEFQEOE-QGZVFWFLSA-N 358.390 3.774 0 1 FHAF COc1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1Cl 587205500 BHFRNODQKZIKEK-HNNXBMFYSA-N 357.841 3.953 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C3CC3)[nH]n2)N1 587799069 WBILACLHORFWCE-BCTVWOGZSA-N 350.235 3.812 0 1 FHAF CC[C@@]1(Cc2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444564 VKQUFIAOBNYQCV-ZHRRBRCNSA-N 368.429 3.851 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)nc2)N1 587739431 BFIVDOZTZPVFRC-BMLIUANNSA-N 364.262 3.673 0 1 FHAF CC[C@@H](C)c1ccc2[nH]c(-c3cnn(CC)c3)c(C(=O)C(=O)OC)c2c1 587640882 CLMUZXQMTGDZPW-GFCCVEGCSA-N 353.422 3.921 0 1 FHAF Fc1ccc2c(c1)-c1cc(n(C(=S)Nc3ccc4c(c3)OCO4)n1)O2 587876075 KWQMDLCVBRQUTL-UHFFFAOYSA-N 355.350 3.769 0 1 FHAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cnccc4[nH]3)c2C1 587035457 WRVUSDHGDLEKPF-UHFFFAOYSA-N 356.451 3.980 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(CC(F)F)n2)N1 587713406 CWBJWZCSLZHIEQ-ANRSDYALSA-N 374.204 3.673 0 1 FHAF CCOC(=O)C[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800239 WERRQWDZLMMDGH-QFYYESIMSA-N 358.251 3.681 0 1 FHAF CCC[C@]1([C@H](C)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587803362 ABBORQOGXNAAPO-WVQJBOLRSA-N 372.278 3.927 0 1 FHAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(OC(F)F)cc1 587634071 RCAPITQMKBEOGT-UHFFFAOYSA-N 363.291 3.926 0 1 FHAF CCOC(=O)[C@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991920 LDUQBSOGUPRWAY-ZDUSSCGKSA-N 359.381 3.745 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CCO)cc2)N1 587827075 NERZKIJLGZLWBK-ZMZPIMSZSA-N 364.258 3.747 0 1 FHAF COc1ccc2c(c1OC)[C@H](c1ccc3cnn(C)c3c1)N(C)[C@H](C)C2 962636880 NSFCMUSUPGFWPD-XCLFUZPHSA-N 351.450 3.556 0 1 FHAF CC[C@](C)(OC)[C@@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963187624 SEMAQEQBNYJNHF-ZBINZKHDSA-N 365.779 3.814 0 1 FHAF CCCNC(=O)c1cccnc1Nc1nc(-c2ccccc2)cc2nccn12 1772649897 FJAWOPQVUUCSAM-UHFFFAOYSA-N 372.432 3.675 0 1 FHAF COc1cc2nc3occc3c(OC)c2cc1OC[C@H](O)C(C)(C)Cl 15222537 MBWWQHXJEXIFKG-HNNXBMFYSA-N 365.813 3.755 0 1 FHAF biogenic C/C=C/C[C@@H](C(C)=O)n1cc([C@@](C)(NC(=O)c2ccccc2)C(C)C)nn1 16052154 OEHUTYXPQSSKAK-ZETQTWJXSA-N 368.481 3.676 0 1 FHAF in-vitro c1ccc(N[C@H]2C(c3ccccc3)=Nc3ccccc3-n3nnnc32)cc1 206052954 FOJMYGMRFDTODK-FQEVSTJZSA-N 352.401 3.950 0 3 FHAF O=C(c1ccccc1)N(CCO)[C@H](c1ccccc1)c1nc2ccccc2[nH]1 205860745 XULKBEPUVAFHLX-OAQYLSRUSA-N 371.440 3.787 0 3 FHAF COc1cccc2c1N(C(C)=O)[C@@]13CCC[C@@]4(CCCN5CC[C@]21[C@H]54)CC3 2356341523 QUJGDBXRYRHXEW-SSGKUCQKSA-N 366.505 3.871 0 1 FHAF Cc1ccccc1OC(=O)C[C@H]1C=NN2c3cc(Cl)ccc3[N+]([O-])=N[C@@H]12 27649779 HBHPMBBEMKFGNY-KPZWWZAWSA-N 370.796 4.000 0 1 FHAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@H](C)C3=O 28972688 LULOWBNDQZZTNH-VXPSWAMVSA-N 362.510 3.748 0 1 FHAF O=C(c1ccccc1Cl)[C@](O)(Cn1ccnc1)c1ccccc1Cl 26008911 KIMIDHGECSSZSL-SFHVURJKSA-N 361.228 3.961 0 1 FHAF COc1ccc([C@@H]2SCC(=O)N=C3C2=C(C)NN3c2ccccc2)cc1 104002240 ULKFLMDPDKMWGP-IBGZPJMESA-N 365.458 3.707 0 3 FHAF Cc1ccc2c(=O)n(C)c(-c3ccccc3CO)c(Br)c2c1 28821993 RYQIIGGBAIXZKF-UHFFFAOYSA-N 358.235 3.769 0 1 FHAF COC(=O)C1=CCCC(C)=CCCC(C)=C[C@H]2OC(=O)C(C)=C2C[C@@H]1O 2356491819 QOFSQIDQLLDFQM-RBUKOAKNSA-N 360.450 3.545 0 1 FHAF COc1ccc([C@@H]2Oc3c(OC)cc(C=CCO)cc3[C@H]2C)cc1OC 2356690029 JRYJEMVPVZEOPW-ZUOKHONESA-N 356.418 3.955 0 1 FHAF COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2Cc2ccccc2Cl)c1 61896728 NHCPBELSZRHGRH-FQEVSTJZSA-N 374.868 3.960 0 3 FHAF S=C(NC1CCCC1)N1CCC(c2cccc(Br)c2)=N1 35813793 KBGOAHCUXQGREK-UHFFFAOYSA-N 352.301 3.676 0 1 FHAF O=C(NC[C@H]1CCCOC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12 1911576704 CZJASGWYQJACLP-GFCCVEGCSA-N 371.387 3.665 0 1 FHAF COCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2cccs2)C[C@H]1C 40461322 CUAPIPQGWMKVBV-XLIONFOSSA-N 372.534 3.681 0 1 FHAF C[C@H](O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 84669589 XWZKPTHOGJKRDY-HNNXBMFYSA-N 372.538 3.713 0 1 FHAF Nc1cccc(OCc2ccc(C[n+]3ccc(N4CCCC4)cc3)cc2)c1 96938868 UDVCUUSSMGNUOG-UHFFFAOYSA-N 360.481 3.784 0 1 FHAF CCOC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1OC 653822856 WHNSPBKCWAIAAI-ZACQAIPSSA-N 360.431 3.541 0 1 FHAF CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COC(C)=O 587401277 VQYRXNRKWFRUOR-FQEVSTJZSA-N 369.417 3.746 0 1 FHAF CCN(CC)C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988325 JQRDHIFMXURFBD-UHFFFAOYSA-N 360.413 3.563 0 1 FHAF Nc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575101 AOPQJTTWUMJIPO-SIKLNZKXSA-N 359.381 3.778 0 1 FHAF Cc1cncc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586999044 STTRFDQGCSBGRC-IHWYPQMZSA-N 358.195 3.928 0 1 FHAF COc1cnccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587553 OJJYULCNNBYEDB-NQIIRXRSSA-N 363.369 3.673 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(O)c(OC)c1)CC2=O 587476325 BMXYOBNJAVHVBH-NRFANRHFSA-N 372.417 3.948 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)C)nn(C)c1N(C)C)CC2=O 587478937 WZGTZGHKORWJHX-QGZVFWFLSA-N 371.481 3.974 0 1 FHAF C[C@H](C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O 587347550 BHPHPWZXQOVHOZ-JSZUHDFRSA-N 358.365 3.760 0 1 FHAF COc1ccc([C@@]2(C3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587413597 SLTREQRIPXVACA-JOCHJYFZSA-N 367.445 3.873 0 1 FHAF CCOC(=O)[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592567 AHRSOPOHIXRYRJ-DYESRHJHSA-N 370.401 3.702 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CCCO1 587866324 YDPFEWMYNJXFEP-AWEZNQCLSA-N 354.328 3.787 0 1 FHAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587774783 XRMXFFTWCNRAJI-JDNHERCYSA-N 351.219 3.615 0 1 FHAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1F 587568358 HRULKRPJGCMUEL-LPHOPBHVSA-N 351.333 3.938 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(OC)c1OC 587870458 JTMBCPXGRDWEBU-UHFFFAOYSA-N 370.380 3.794 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587003561 MHVBIGRKFCTWBK-ZDUSSCGKSA-N 371.198 3.592 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1OCO2 587606833 FEKLWYUBZPSMRC-DYESRHJHSA-N 362.337 3.824 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCN(c3ccccc3)C(=O)C1)CC2=O 587474301 DUGGBIGTXUPKID-QFIPXVFZSA-N 365.429 3.876 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(O)c(OC)c1)CC2=O 587476329 BMXYOBNJAVHVBH-OAQYLSRUSA-N 372.417 3.948 0 1 FHAF O=C(O)CCCCCONC1=C[C@@H](c2cccc(Br)c2)C1 957574200 VZGDMSOWLPPYLT-CYBMUJFWSA-N 354.244 3.987 0 1 FHAF CCOc1cc([C@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)ccc1O 962627137 KTFQZIIZMUJVIL-ZSEKCTLFSA-N 357.450 3.774 0 1 FHAF CN1CCc2cn(C)nc2[C@@H]1c1ccc(COc2ccc(Cl)cc2)o1 963954308 IYPISVUIHGEROY-IBGZPJMESA-N 357.841 3.823 0 1 FHAF Cc1c(O)ccc2c1[C@@H](c1ccc(-c3ccc(F)cc3)o1)N[C@H](C(=O)O)C2 963487194 CIVUFXVQTSQRQQ-MGPUTAFESA-N 367.376 3.788 0 1 FHAF Oc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1 13582611 FEQLPEIKSCUTRT-UHFFFAOYSA-N 372.310 3.654 0 1 FHAF CC(C)c1ccc(COc2ccc(CC(=O)NCCN)cc2Cl)cc1 16051834 DFXJYVQAAFOZDP-UHFFFAOYSA-N 360.885 3.660 0 1 FHAF in-vivo O=S(=O)(/N=[S@@](/Nc1ccccc1)C(F)(F)Cl)c1ccccc1 17222079 BQIDHSHTPANPEK-NRFANRHFSA-N 364.826 3.993 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(C4CC4)cn3)C2)cc1 169709283 QUCCCPAKXLXSQS-BTYIYWSLSA-N 365.477 3.814 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C)cc1 169723981 WNSQPPAIAVFJAU-SJLPKXTDSA-N 357.450 3.958 0 1 FHAF CCc1c(Cn2ccnc2-c2ccccn2)ncn2cc(C(F)(F)F)nc12 201872779 DSNHKXZHVKXRPH-UHFFFAOYSA-N 372.354 3.617 0 1 FHAF CC/[S@](C[C@H]1CC1(Cl)Cl)=N\S(=O)(=O)c1ccc(C)cc1 4498171 JZRAFTAUOCQBSL-WYRIXSBYSA-N 354.324 3.699 0 3 FHAF O=C(O)c1ccc(/C=C/S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1 1857770576 TXCXNOCZKLUWHF-MDZDMXLPSA-N 370.348 3.989 0 1 FHAF CC(C)=CCc1cc2c(c3c1[C@H]1C[C@@H](C3=O)[C@H]1C)OC(C)(C)[C@H](O)C2=O 2356326601 YRDFJEHXATZPAY-BBLNCHDKSA-N 354.446 3.846 0 1 FHAF CCCCN(C(=O)Nc1ccc(Cl)cc1)C1CCN(C(C)=O)CC1 3056522 LBHUKJXZUPVPAW-UHFFFAOYSA-N 351.878 3.985 0 3 FHAF CCOC1(OCC)[C@@H]2c3cccc(OC)c3[C@@H]([n+]3ccccc32)C1(C)C 27518560 HMIGSSGDKYOUFK-WOJBJXKFSA-N 354.470 3.827 0 1 FHAF Cn1nc(CCF)c(Cl)c1C(=O)NCc1ccc(C(C)(C)C)cc1 103275557 BGAMVHVQGAGJSP-UHFFFAOYSA-N 351.853 3.813 0 1 FHAF Cc1nc2c3c(c(C(=O)NC4CC4)cn2c1C)CC[C@H](c1ccccc1)O3 28867189 SFNDFWXAFJROAQ-LJQANCHMSA-N 361.445 3.910 0 1 FHAF O=C(O)C[C@H]1CCN(C2CCCCC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356382104 MZABUSPAVFEZKI-HUUCEWRRSA-N 373.472 3.990 0 1 FHAF COC(=O)[C@@]1(C)[C@H]2CC[C@H]3[C@@H](OC(=O)CC(C)C)OC=C4C=C[C@H]1C[C@@]423 2356668889 FNLVWVNGNLUSMJ-NSCHVKTJSA-N 360.450 3.598 0 1 FHAF C[C@H](C(=O)O)c1c([C@]2(C)CCCC(C)(C)C2)ccc2c1CN(CCN)C2=O 2356803247 WWHFEXUPYPPAKQ-RCDICMHDSA-N 372.509 3.647 0 1 FHAF CC(=O)N1Cc2ccccc2C[C@H]1CN1CCC2(CCc3ccccc32)CC1 35950607 XSRIHAZBRFZRIH-QHCPKHFHSA-N 374.528 3.940 0 1 FHAF Cc1ccccc1-c1ccc2nnc(Cc3cccc4c(=O)[nH]ccc34)n2n1 73163071 WUWCPRSNWXJYKA-UHFFFAOYSA-N 367.412 3.532 0 1 FHAF OC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCC1 84709344 RSLYNHHGHMPLKL-JTKSJCOOSA-N 362.517 3.562 0 1 FHAF CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccnc1 224873890 GDBOFDPYYUABPK-UHFFFAOYSA-N 361.401 3.985 0 1 FHAF OC[C@@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 138921496 SYIJBYVZCWPAAM-MRXNPFEDSA-N 362.433 3.831 0 1 FHAF O[C@@H](COCc1c(Cl)cccc1Cl)CN1CCc2ccccc2C1 220894700 UJXVPTCLVUETTQ-MRXNPFEDSA-N 366.288 3.929 0 1 FHAF O=C(Cc1c(F)cc(Cl)cc1Cl)N[C@H]1CCOc2ncccc21 146689218 ZCLQNJQWAJQDEV-AWEZNQCLSA-N 355.196 3.710 0 1 FHAF Brc1cc(-c2nnc(-c3ccncc3)o2)[nH]c1Br 95572425 NNCFMDYBTDMWRV-UHFFFAOYSA-N 370.004 3.652 0 1 FHAF COC(=O)[C@H]1[C@H](c2ccc(Cl)c(Br)c2)C[C@H]2CC[C@H]1N2C 261085332 CLDUXOXUODATIA-BVIHXZOGSA-N 372.690 3.842 0 1 FHAF CC(=O)Oc1ccc2c(c1)[C@H]1c3cc(OC(C)=O)ccc3[C@H](C2)N(C)[C@@H]1C 473235109 MIKWKNGGOJQAOP-DPZGYPSCSA-N 365.429 3.600 0 1 FHAF Cc1nc2[nH]c(CCC(=O)c3ccc(F)cc3)nc2cc1Br 587163152 NMEXNHBQPUVLFO-UHFFFAOYSA-N 362.202 3.983 0 1 FHAF CC(C)n1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587760392 PKDNMMBWOUBDDD-HWPZZCPQSA-N 352.251 3.989 0 1 FHAF COc1cc2c3c(c1)O[C@]1(C[C@H](C)CN(Cc4ccccc4)C1)[C@@H](C2)C3=O 587438557 QFUXIAYWRHNOAY-FOMLIJIXSA-N 363.457 3.723 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2CC(=O)O)N1 587827339 KNGNZNWGPXMDIZ-SEFYAATASA-N 356.235 3.593 0 1 FHAF Fc1ncc(Br)cc1-c1nc2cc(Br)ncc2[nH]1 587178295 ZTDMMHUERCMWEJ-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF CC1CCC(NS(=O)(=O)Cc2nc3cc4ccccc4cc3[nH]2)CC1 586953685 XQPDRHWRKJQAJH-UHFFFAOYSA-N 357.479 3.714 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1O 587606744 FUSDTSBVCKPCGW-YLJYHZDGSA-N 350.326 3.506 0 1 FHAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccn(CC)n3)c2c1 587643237 SDQLQMZWJXTDCM-LBPRGKRZSA-N 353.422 3.915 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(C)c(C)c1)[C@@H](C2)C3=O 587432806 NBKGLPWIUAJRKV-JTSKRJEESA-N 365.429 3.847 0 1 FHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(C(=O)O)cc2[nH]1 587201538 REIPUKOASSFLNR-UHFFFAOYSA-N 361.442 3.842 0 1 FHAF C[C@]1(c2ncc(Br)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587497813 MQKBUWKWHRJLQP-GOSISDBHSA-N 373.250 3.999 0 1 FHAF COc1cc(O)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587805324 FWACCTDTZGECSS-XYZCENFISA-N 366.230 3.926 0 1 FHAF CC(C)n1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587757165 GALYBMMHGVHIIW-QLJPJBMISA-N 352.251 3.989 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC(=O)C[C@H]3C2)N1 587819206 UFHDVMCNGNEVTL-BMDWNORCSA-N 352.247 3.707 0 1 FHAF C/C(N)=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587705402 MIKOOKFELDBLRJ-CLBQOLQOSA-N 367.184 3.743 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2cc(OC)c(Cl)cc2[nH]1)C(C)C 586932626 IDEXWFQAXFYVNB-HNNXBMFYSA-N 373.906 3.642 0 1 FHAF COc1cccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c12 586973560 PGAMFCOBPYQITM-MRXNPFEDSA-N 355.463 3.682 0 1 FHAF CCN1C(=O)C[C@@H](c2nc3ccc(O)cc3[nH]2)[C@@H]1c1ccccc1Cl 587061485 MHXFCOKMAXKQFT-ACJLOTCBSA-N 355.825 3.999 0 1 FHAF C[C@@]1(c2ccnnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348785 SGXMFBLFKHQQHW-ICSRJNTNSA-N 350.349 3.596 0 1 FHAF COc1ccnc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587585812 GMXLRDZOSVRQMI-WIYYLYMNSA-N 363.369 3.673 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(N)cccc1Br)[C@@H](C2)C3=O 587412628 JLEOFVRLYBNNCC-BTDLBPIBSA-N 360.207 3.529 0 1 FHAF Cc1cccc(Cl)c1C(=O)NCc1ccc(-c2cc[nH]c(=O)c2)cc1 147256075 RGVVJYOVGIKMLY-UHFFFAOYSA-N 352.821 3.934 0 1 FHAF CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1cc3ccccc3o1)C2 12479767 VFQLUAYQXMIGRR-GOEBONIOSA-N 368.433 3.716 0 3 FHAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(CO)n1 169700080 BEFKMUYGGLNGGN-UHFFFAOYSA-N 351.381 3.585 0 1 FHAF C[C@@H]1CCCC[C@@H]1NC(=O)CCC(=O)N1CCOc2ccc(Cl)cc21 6797535 SITVVPGXJIDFFO-HIFRSBDPSA-N 364.873 3.541 0 3 FHAF CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1cccc(OC)c1OC 101616319 HTCOARATKMNLEY-YWJBVVMDSA-N 372.425 3.577 0 1 FHAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@H]2CC[C@H]1N2 100875741 HBQKMASEGGGNBY-WTGUMLROSA-N 352.478 3.788 0 1 FHAF C(=C/c1ccc([C@H]2[C@H]3CN(Cc4cocn4)C[C@@H]2N3)cc1)\c1ccccc1 100109306 REHPBXNLYIBOES-CHSYRVMMSA-N 357.457 3.785 0 1 FHAF COc1ccccc1[C@@H](O)c1n[nH]/c(=N/c2ccc(F)c(Cl)c2)s1 103780438 QBJMWSXYBZPKQU-CQSZACIVSA-N 365.817 3.586 0 1 FHAF CO[C@]1(C(C)(C)O)C=C[C@](C)(O)CCC=C(C)CC(=O)C[C@H](C)CC1 2356440774 PUAPJGQBSUWLAY-UIFIKXQLSA-N 352.515 3.955 0 1 FHAF O=C(N[C@@H](CO)Cc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 63298340 DPPIQOOVRLCHQC-HXUWFJFHSA-N 366.848 3.735 0 1 FHAF COC(=O)c1ccc(CC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45231184 YVTGNCFOBBVCIR-KUHUBIRLSA-N 361.869 3.771 0 1 FHAF CC(C)CC[C@]1(O)c2cc3c(O)cccc3cc2C(=O)[C@@H](C)[C@H]1C(=O)OO 111460435 STXVCFZKJAHSFN-OELQTJDKSA-N 372.417 3.634 0 1 FHAF biogenic Cc1ccc(NC(=O)NCCCCNC(=O)N(O)c2ccccc2)cc1 68586763 DFPAEYPPPFPSGT-UHFFFAOYSA-N 356.426 3.502 0 1 FHAF biogenic Cc1cccn2c(NCc3ccc(NC(=N)N)cc3)c(-c3cccnc3)nc12 653799437 VEEFOEDPARCWAI-UHFFFAOYSA-N 371.448 3.622 0 1 FHAF O=S(=O)(O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587175213 SLPWAQYISNICHN-UHFFFAOYSA-N 365.773 3.750 0 1 FHAF COc1cc2c3c(c1)OC1(CCC(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587442807 YOGOZONJOBCWLB-HFXZKODQSA-N 358.434 3.713 0 1 FHAF Fc1cc2[nH]c(-c3cnn4cc(Br)cnc34)nc2cc1Cl 587008777 OCMCMPSZVVRBSP-UHFFFAOYSA-N 366.581 3.828 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(N(C)C)c1 587870787 RKQGJVBBKHJTON-UHFFFAOYSA-N 353.397 3.842 0 1 FHAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587568339 BPPWGPSHGWRHEG-YLJYHZDGSA-N 351.358 3.754 0 1 FHAF CC(C)[C@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197572 IHHLBSIYXHXODU-CQSZACIVSA-N 365.405 3.964 0 1 FHAF COc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774787 XTIDGWZXMLWQHL-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF COC(=O)C[C@@H]1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587806034 IKNKXJBRMBOVRL-VGTOOOLASA-N 370.262 3.681 0 1 FHAF Cc1ncc2c(n1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584833 BENDFCBNCRTBQC-DENIHFKCSA-N 374.396 3.684 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2occc2C(=O)O)N1 587828513 NXQNSSFDBGCYTI-WPPNPWJKSA-N 354.175 3.503 0 1 FHAF Oc1nc(S)nc2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc12 587145230 JFZBAQKZJNZQJS-UHFFFAOYSA-N 352.394 3.744 0 1 FHAF CCOC(=O)Cc1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1 587070533 HPPRXVWSNDZZQE-UHFFFAOYSA-N 356.809 3.747 0 1 FHAF O=c1ccc(-c2nc3cnncc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587053055 AASYTOXJZJYYDG-UHFFFAOYSA-N 372.215 3.537 0 1 FHAF COc1ccc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1SC 963039577 YMIPRTWVXVVWMX-RNODOKPDSA-N 354.475 3.560 0 1 FHAF CCCN1[C@@H](C)Cc2ccccc2C12CCN(c1nc(C)cc(O)n1)CC2 963243941 UMZYERBNLUMIJT-KRWDZBQOSA-N 366.509 3.643 0 1 FHAF CC[C@@]1([C@@H]2CN(Cc3ccccc3)CCO2)NCCc2cc(C)c(F)cc21 962094457 SRGRCGPFOCLYQC-XZOQPEGZSA-N 368.496 3.786 0 1 FHAF CCOC(=O)C1=C(C)c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1 13813488 HQKWISRPADHZJY-JOCHJYFZSA-N 366.413 3.874 0 3 FHAF CC(=O)c1ccc(NC(=O)c2cn[nH]c2-c2cc(Cl)c(O)cc2O)cc1 16051845 BTTFXKUTBNGQTP-UHFFFAOYSA-N 371.780 3.596 0 1 FHAF in-vivo COc1cc2c(c(OC)c1OC)-c1ccc3c(ccn3C)c1[C@H](O)CC2 205428921 LXIDCHKMXFFBTR-MRXNPFEDSA-N 353.418 3.851 0 1 FHAF CCn1cc(-c2cc3c(-c4cc(C(F)(F)F)ccn4)n[nH]c3cn2)cn1 205251949 VFXUYKQSTNDXRJ-UHFFFAOYSA-N 358.327 3.922 0 1 FHAF CC[C@H](C)[C@@H](Cn1cncn1)NC(=O)c1ccc(-c2ccccc2)cc1F 1857548672 AXLJCLIZTWISSL-MGPUTAFESA-N 366.440 3.929 0 1 FHAF O=C(Nc1nc2ccc(F)cc2s1)c1ccc(N2CCOCC2)cc1 1857573723 CTSRJDVSCYCBQK-UHFFFAOYSA-N 357.410 3.524 0 1 FHAF O=S1(=O)c2ccc(Oc3cc(F)cc(Cl)c3)cc2[C@H](O)C1(F)F 1857634443 KYEJEZVNRKVFFE-ZDUSSCGKSA-N 364.728 3.685 0 1 FHAF Cc1cnc(CNc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)cn1 4267257 WXZOCAAZKGNHEZ-UHFFFAOYSA-N 371.400 3.736 0 1 FHAF CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102149783 CSWCIBOMUHUPBF-MPGHIAIKSA-N 351.874 3.912 0 1 FHAF CCO/C(O)=C1\C(C)=NC(=S)N(C(C)=O)[C@@H]1c1ccc(Cl)cc1 8828592 KYUNVQCBPPRQQE-SXWSKBOKSA-N 352.843 3.795 0 1 FHAF Cc1cc(O)ccc1[C@]1(O)CC[C@@H](NC(=O)CCc2ccccc2)CC1 101146537 XCSCLYXZRRLYSC-CXGRPWHSSA-N 353.462 3.580 0 1 FHAF CCCOc1cc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2n1 100643216 YKJIHAHNAACYCO-HUUCEWRRSA-N 354.450 3.806 0 1 FHAF Nc1ncnc2c1N=C(c1cccc(NC(=O)Nc3ccccc3)c1)CCN2 29049128 NTRQSBNWMYCCJY-UHFFFAOYSA-N 373.420 3.639 0 1 FHAF CCCCSc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)nn1 103201197 BXJGFUNBLLSTJY-UHFFFAOYSA-N 366.393 3.609 0 1 FHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C[C@@]4(C)[C@@H]3CC[C@]12C 29405079 BVTWUBQLAWUICA-PKRXZDKWSA-N 374.569 3.944 0 1 FHAF COCCCNC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66075649 CCDQECPACULVJC-UHFFFAOYSA-N 362.735 3.780 0 1 FHAF O=C(O)C=C1CN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64436500 GIZCWMURBFLMON-URXFXBBRSA-N 359.469 3.950 0 1 FHAF C[C@H]1CN(Cc2ccc(F)cc2)CCN1CCC[C@@H](O)c1ccc(F)cc1 26737966 GTYCNWYIXLEGCJ-HTAPYJJXSA-N 374.475 3.985 0 1 FHAF Nc1nccc(-c2cc(C(=O)NCc3ccccc3)c(-c3ccccc3)[nH]2)n1 43174129 HFDUDAHRBMJHFD-UHFFFAOYSA-N 369.428 3.651 0 1 FHAF COc1ccc2nc(Nc3nc(=O)c4c(Cl)cccc4[nH]3)nc(C)c2c1 40914009 MTMSYTHPHTWXFK-UHFFFAOYSA-N 367.796 3.580 0 1 FHAF Cc1c2c(c3cc(CCC(=O)N4CCOCC4)oc3c1C)CCC(C)(C)O2 43010068 FCFJNPDVZOIQHJ-UHFFFAOYSA-N 371.477 3.945 0 1 FHAF C[C@@H](Oc1cccc2c1ccc[n+]2[O-])c1cn(-c2ccc(Cl)cc2)nn1 43019960 KWGAZSLMUCKQFA-CYBMUJFWSA-N 366.808 3.847 0 1 FHAF O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1 43074790 QOQUTGPQLQCUSD-UHFFFAOYSA-N 359.832 3.737 0 1 FHAF NC(=O)O[C@H](CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 95573129 ZJITZNLIEHQWQU-LJQANCHMSA-N 373.884 3.689 0 1 FHAF COc1c(O)cc2c(c1CC=C(C)C)OC(=O)c1c(O)cc(O)cc1O2 238738748 PMCCXZOGUNIOLG-UHFFFAOYSA-N 358.346 3.646 0 1 FHAF N[C@@H](Cc1ccccc1Cl)c1nc2c(Br)ccnc2[nH]1 587059490 SDSVCAUMHCSNRS-NSHDSACASA-N 351.635 3.616 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)c(N)c1)[C@@H](C2)C3=O 587414498 VWMDBHDGJHQVSK-KPZWWZAWSA-N 374.234 3.703 0 1 FHAF Cc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1C 587148990 LLLQGYZETOGCFK-CQSZACIVSA-N 355.388 3.974 0 1 FHAF O=C1c2ccc(O)cc2OC2(C[C@@H]3CCC[C@H](C2)N3)[C@@H]1c1ccc(F)cc1 587353709 ZWRVUFOEMZCHPT-NARFYJTRSA-N 367.420 3.934 0 1 FHAF N=C(N)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017612 NSWXVVADVJFGNG-UHFFFAOYSA-N 361.430 3.572 0 1 FHAF Cc1ccnc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc12 586921725 LTTHUNKBGGUEAG-UHFFFAOYSA-N 363.442 3.907 0 1 FHAF CCc1nccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588971 SOHGWDWHDLKDQI-UTKZUKDTSA-N 362.385 3.622 0 1 FHAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(CN=O)cc3)nc2c1 587189680 DUAAGZXDJSWXSW-UHFFFAOYSA-N 372.450 3.575 0 1 FHAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587805508 GGEZLFXEOZZBNL-VVVCHXIZSA-N 366.230 3.926 0 1 FHAF CC(C)[C@H](c1nc2cc3c(cc2[nH]1)OCCO3)N(C)C(=O)OC(C)(C)C 587197523 GBJCCASOISTFIU-MRXNPFEDSA-N 361.442 3.898 0 1 FHAF COc1cc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)ccn1 962714411 ONVRKOTYILDNBE-MGPUTAFESA-N 358.482 3.856 0 1 FHAF CCOC(=O)c1cc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)ccn1 963126259 WBHQDXWJIOXXQM-SFHVURJKSA-N 365.260 3.974 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCC(=O)O)C1CCCCC1 963631407 DHNHOXMXVGABST-SPLOXXLWSA-N 361.482 3.878 0 1 FHAF O=C(O)c1cccc(COc2ccc(-c3nc(=O)c4ccccc4[nH]3)cc2)c1 1772647351 BDQUADKTLJUFRD-UHFFFAOYSA-N 372.380 3.867 0 1 FHAF O=C([C@@H]1C2CCC(CC2)N1C(=O)CCCC(C1CC1)C1CC1)N1CCCC1 13756419 IXQMBOCMZNZQEQ-AJTFCVKESA-N 372.553 3.985 0 1 FHAF Cc1cccc(Nc2ncnc3c2nnn3Cc2ccccc2Cl)c1 13778517 HHHAIUHWHXRELJ-UHFFFAOYSA-N 350.813 3.975 0 1 FHAF CCO[C@@H]1C[C@H](C2=CCOC2=O)C[C@H]2c3c(c4ccccc4n31)CCN2C 14415804 HUPABXKIDWFUOR-VOBQZIQPSA-N 366.461 3.599 0 1 FHAF biogenic COC[C@H](OC(C)=O)[C@@H]1OCc2ccccc2[C@@H]1/C=C\c1ccccc1 169354448 SSAJXUFJYJHGDQ-BPNKNARDSA-N 352.430 3.961 0 1 FHAF CN(C)c1ccc(-c2cc(NC[C@H]3CCCNC3)c3cccnc3c2)cn1 1857571463 XFIFRGSEYNEXIW-INIZCTEOSA-N 361.493 3.774 0 1 FHAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C\c2csc3ccccc23)C(=O)O1 1857629551 XELZELDAOXMYOD-BNCSFYMNSA-N 374.458 3.552 0 1 FHAF CN[C@@H]1[C@H]2CC[C@@]34[C@H](O)C[C@@]5(C)CCC[C@@](O)(C5)[C@@]3(C2)C[C@]42CCC[C@@H]12 2356356145 JKQIHFCAOYBZNP-WINQNPMXSA-N 359.554 3.627 0 1 FHAF Cc1c(C(=O)NCc2ccco2)sc2ncnc(N3CCCC[C@@H]3C)c12 2924308 UOIADRFAKZARDV-LBPRGKRZSA-N 370.478 3.902 0 1 FHAF Cc1cc(N2CCOCC2)nc2ccc(NC(=S)NCCC(C)C)cc12 4969818 PVXVUJKCLBHIHE-UHFFFAOYSA-N 372.538 3.712 0 3 FHAF O=c1nc(-c2c(F)cccc2F)on1-c1ccc(OC(F)(F)F)cc1 103200152 MYIXHMQLLFROOD-UHFFFAOYSA-N 358.222 3.669 0 1 FHAF CN(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[C@H](c2ccc(O)cc2)CC1 101098944 ATVUKKUJMJBVML-KAGYGMCKSA-N 366.505 3.708 0 1 FHAF c1ccc([C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cc1 118876260 MDBRXLWSMNKQIT-LJQANCHMSA-N 374.488 3.850 0 1 FHAF O=C(NC(=O)c1ccccc1)Nc1ccc(Sc2ncccn2)cc1 28571985 WZTXSTXGDYBVCE-UHFFFAOYSA-N 350.403 3.590 0 1 FHAF CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1cc(-c2ccccc2)cs1 61928378 ZOSWNRJVZFGAJB-HXUWFJFHSA-N 356.491 3.936 0 3 FHAF C[C@]1(CCOS(=O)(=O)O)CC[C@@H]2C(=CC[C@@H]3[C@@](C)(O)CCC[C@]23C)C1 2356719959 MGAAHPXIGWJLPX-ZRSRNVLSSA-N 372.527 3.890 0 1 FHAF C/C=C(/C)C(=O)OC/C(=C/C)C(=O)OC/C=C/c1ccc(OC)c(OC)c1 38544497 SMFMXIFWUMPOHW-ADOBAWSRSA-N 374.433 3.716 0 1 FHAF O=C(CCc1ccccc1)Nc1nnc(-c2ccc3c(c2)OCCO3)s1 72124317 XBRBODMCDFSPJO-UHFFFAOYSA-N 367.430 3.548 0 1 FHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@@H]1C(C)(C)CCC[C@]1(O)C2 14758669 GNVMHDPNRQZLBQ-SZNDQCEHSA-N 362.466 3.916 0 1 FHAF biogenic COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1C(C)(C)[C@H](O)CC[C@]21C 14774127 PRKBLPCDOOARTE-QRQYBIJMSA-N 362.466 3.871 0 1 FHAF biogenic COc1ccc([C@@](C)(O)c2nc(Br)nc3ccccc23)cc1 1911576059 GQIUZZCNWIZUDP-QGZVFWFLSA-N 359.223 3.657 0 1 FHAF O=C1C(=O)N(c2ccccc2Cl)CCN1Cc1ccc(F)cc1Cl 95566073 HTSXOICCVRNMJS-UHFFFAOYSA-N 367.207 3.508 0 1 FHAF O=C(C1CC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95877405 XBCCLMQJAKAFTB-DUXKGJEZSA-N 366.436 3.579 0 1 FHAF COc1ccc(-c2c(CO)n(Cc3cccc(F)c3)c3ncccc23)cn1 299823113 SHBKDJXMRVGWOW-UHFFFAOYSA-N 363.392 3.787 0 1 FHAF CCOC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)nn1C 299865788 UNKHXEMEEXMGGO-UHFFFAOYSA-N 371.437 3.685 0 1 FHAF COc1cc2c3c(c1)O[C@H](Cc1ccc(Br)cc1)[C@@H](C2)C3=O 587416511 CGBRLXZXWAUGSD-HUUCEWRRSA-N 359.219 3.816 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCc4ccc(OC)cc4[C@@H]1C)[C@@H](C2)C3=O 587444941 XLQQZLIIVJNSNZ-WHECPESLSA-N 350.414 3.940 0 1 FHAF COC(=O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587008640 ZYQMNEXKTUVZKV-UHFFFAOYSA-N 371.194 3.655 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)[C@H]1C 587475208 KHSMGHMLYICNAS-YUNKPMOVSA-N 361.438 3.688 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccccc1C(=O)O 587868049 FOPQAUBCIUHEHY-UHFFFAOYSA-N 363.295 3.660 0 1 FHAF Clc1nc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)ccc1-c1ccccc1 587084353 ZRGSHOOSLKGDMI-UHFFFAOYSA-N 373.807 3.921 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)([C@H](C)CC(=O)O)O2 587384382 LCSJUUBPEUMGHR-ODXCJYRJSA-N 357.381 3.688 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc[nH]c2=N)N1 587697459 WGPGIKQVRLATBT-JKYUHCHBSA-N 370.653 3.673 0 1 FHAF C[C@H]1C[C@@]2(CC[C@@H]1C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 587827731 QHTKDTZYQZYORF-DKQCNTTFSA-N 370.262 3.839 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2ccc(Cl)nc2[nH]1)C[C@H]1CCCO1 587196675 ASILCISBDBCPMB-LLVKDONJSA-N 366.849 3.527 0 1 FHAF Fc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c(F)c1F 587085094 NXFJJIAQBADYMY-UHFFFAOYSA-N 367.762 3.808 0 1 FHAF COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587616349 CBAIFIABQHAEDT-YOEHRIQHSA-N 355.371 3.560 0 1 FHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Br)ncc3[nH]2)cn1 587247486 NAEUSCZEIRJLMP-UHFFFAOYSA-N 374.242 3.767 0 1 FHAF CN1CCN(c2ccc3nc(CSCc4ccsc4)[nH]c3c2)CC1 587026010 QMECZFZSQPCYMX-UHFFFAOYSA-N 358.536 3.810 0 1 FHAF CN1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336190 JMSQRVYZFKBNJZ-FLUSEDSTSA-N 367.420 3.886 0 1 FHAF Oc1ccc2c(c1)[C@H](c1c(Br)cccc1N1CCCC1)NCC2 963341126 KYNWPFWMRQUHBI-LJQANCHMSA-N 373.294 3.990 0 1 FHAF Nc1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(N)c1 962646911 VKJCLDDAGNZLED-RDPSFJRHSA-N 370.500 3.687 0 1 FHAF CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)N3CCCCC3)ccc2O1 5070057 ILFBODCVZSUTDF-PKOBYXMFSA-N 372.509 3.684 0 1 FHAF CCc1c(C)[nH]c(=O)c(N(C)CCCCCO)c1Cc1cccc(C)c1 5886413 AVHFITFFUBSKNU-UHFFFAOYSA-N 356.510 3.744 0 1 FHAF CC1=CS[C@@](OCC(C)C)(c2ccc(Cl)cc2)c2noc(=O)n21 13475276 NUKJMDCJFLMBDA-INIZCTEOSA-N 352.843 3.929 0 1 FHAF CC(C)c1cccc(OCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 13740733 LLQYOELPWIKYLZ-UHFFFAOYSA-N 365.481 3.575 0 1 FHAF CNC(=O)c1cc2c(Oc3ccc(-c4cncn4C)cc3)cncc2s1 13864420 LQGWLGOZCRRKCJ-UHFFFAOYSA-N 364.430 3.849 0 1 FHAF COc1cc2cc3c(c(-c4ccc(OC)c(OC)c4)c2cc1O)COC3=O 14726748 OLJPPQCKTFQQSW-UHFFFAOYSA-N 366.369 3.909 0 1 FHAF biogenic,in-vitro COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2N(C)C1 169312743 ISVOYYWZUYYPHT-CVAIRZPRSA-N 352.478 3.889 0 1 FHAF CC(C)NC(=O)c1ccc(CON(C)C(=O)OCc2ccccc2)cc1 169334255 DVZBQYKFRLESSV-UHFFFAOYSA-N 356.422 3.525 0 1 FHAF CC(=O)O[C@H]1[C@@H]2C(C)=CC=C[C@@]2(C)C(=O)C[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C 166208637 NCRFOCSSFDGHIA-UFMPMKONSA-N 360.494 3.833 0 1 FHAF COc1cccnc1C1CCN([C@H]2CCCN(c3ccncc3)CC2)CC1 1857548777 UZQMOVXSJNXSIN-IBGZPJMESA-N 366.509 3.724 0 1 FHAF Cc1ccc2nc(N3CCNCC3)n(Cc3ccc(F)c(Cl)c3)c2c1 1857640413 WVWBFXPAKIHXBC-UHFFFAOYSA-N 358.848 3.595 0 1 FHAF Cc1cc2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2cc1C 1857644127 ZQBGETQDMPAKNY-UHFFFAOYSA-N 366.484 3.867 0 1 FHAF O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)C(=O)C2)c1ccccc1 1857754435 IXVWXMHLIKJMLG-UHFFFAOYSA-N 370.408 3.664 0 1 FHAF CCC(=O)Oc1c(/C=C/c2nc3ccccc3c(=O)o2)cccc1OC 1857763127 TXRDNUFMZBONHJ-VAWYXSNFSA-N 351.358 3.682 0 1 FHAF Cc1cccc(-c2nc(N=c3cc[nH]c4ccccc34)c3cccn3n2)n1 1857761890 POBTWEXPMBRQFA-UHFFFAOYSA-N 352.401 3.813 0 1 FHAF COc1cc([C@@H]2CC[C@H]3[C@H]2CO[C@H]3c2ccc(O)c(OC)c2)ccc1O 2356369968 WIBQQMLELFLPKY-OSAWLIQMSA-N 356.418 3.996 0 1 FHAF CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)cc1-c1ccccc1 66260230 YXISMWCSIDPYTF-UHFFFAOYSA-N 367.493 3.836 0 1 FHAF COc1ccc(C(=O)c2cc(N)ccc2N2CCC(C)CC2)cc1OC 29329179 CNGNWQGYGZDMPZ-UHFFFAOYSA-N 354.450 3.753 0 1 FHAF CO[C@H](Cc1scnc1C(=O)Nc1nccs1)c1cccc(F)c1 28455344 FBOROBKOCKARKO-GFCCVEGCSA-N 363.439 3.921 0 1 FHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@H](C(=O)O)[C@]2(C)O 2356810551 AYRBKDVFDHNFQF-LPZFOWTGSA-N 352.471 3.712 0 1 FHAF CN1CCC(N(C)c2ccc3[nH]c(-c4[nH]nc5ccccc45)nc3c2)CC1 36176903 AEXAYHMFAIXNSU-UHFFFAOYSA-N 360.465 3.637 0 1 FHAF CCc1cc(OC(F)(F)F)cc2c1O[C@H](C(F)(F)F)C(C(=O)O)=C2 34659596 DNSZVRYSOQVHKS-NSHDSACASA-N 356.218 3.939 0 1 FHAF COc1ccc2ccc(=O)oc2c1-c1cc(-c2ccc(C)cc2)nc(N)n1 72120141 CCOBLYPTNLFPKO-UHFFFAOYSA-N 359.385 3.816 0 1 FHAF CC1(C)Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 49785145 PSGDCHWXQZRSHI-FQEVSTJZSA-N 351.837 3.941 0 1 FHAF O=C(O)c1cn(Cc2cccc(OC(F)(F)F)c2)c2ccccc2c1=O 45392006 AUEWMGJHAUKGFW-UHFFFAOYSA-N 363.291 3.647 0 1 FHAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C(F)(F)F)nnc2c1 84742114 JRDDHFKFDFPNDF-UHFFFAOYSA-N 360.339 3.616 0 1 FHAF CCN(CC)CCN1C(=O)CS[C@H]1CC12CC3CC(CC(C3)C1)C2 40880184 DCRFEBIFPWSCBR-DRZUXFPHSA-N 350.572 3.836 0 1 FHAF c1nc(NCC2CC2)c2nc(C3CCCCC3)n(C[C@@H]3CCCO3)c2n1 82180781 XBGDKDXJXZFUDI-INIZCTEOSA-N 355.486 3.875 0 1 FHAF COCCn1c(-c2cccs2)nc2c(NCc3cccs3)ncnc21 82190519 LCFZHIRYKQVQOR-UHFFFAOYSA-N 371.491 3.875 0 1 FHAF Cc1ccc(S(=O)(=O)Oc2c3occc3cc3ccc(=O)oc23)cc1 238771851 LXXCLORZQZPWEH-UHFFFAOYSA-N 356.355 3.615 0 1 FHAF COc1ccc(-c2cc(CNC(=O)[C@@H](C)c3ccccc3)on2)cc1OC 621431130 OFMXCVDUBTVOBT-AWEZNQCLSA-N 366.417 3.779 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)[C@H](C)C2)N1 587827734 QHTKDTZYQZYORF-WTHXXZKASA-N 370.262 3.839 0 1 FHAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnc1O 587770429 QKWOAHPYOZXSGD-PSLIRLAXSA-N 351.219 3.621 0 1 FHAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 587010810 CSJBHUSKWMKCSN-UHFFFAOYSA-N 373.445 3.561 0 1 FHAF Cc1c(-c2nc3cnc(Cl)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030086 XAOLMHAVDPVMMI-UHFFFAOYSA-N 357.826 3.761 0 1 FHAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)F)n1 587558972 YTTKEDZCKUXXAL-KSSFIOAISA-N 372.327 3.766 0 1 FHAF O=C(O)c1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1F 587005458 JBVLIOBIJFYTTB-UHFFFAOYSA-N 370.565 3.878 0 1 FHAF COC(=O)c1ccnc2[nH]c(C3(c4cccc(OC)c4)CCCC3)nc12 587933593 RVDARZOLUWPHED-UHFFFAOYSA-N 351.406 3.613 0 1 FHAF CCC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810080 SWXVQXWUYXTNOC-QFYYESIMSA-N 358.251 3.681 0 1 FHAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(C)s1)[C@@H](C2)C3=O 587449798 HGYHZCNTUGNNIW-DJJJIMSYSA-N 358.415 3.573 0 1 FHAF CCOC(=O)Cc1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1 586898988 VIZGRKRQJRWRDG-UHFFFAOYSA-N 350.418 3.920 0 1 FHAF CC[C@]1(C)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(N)ccc2O1 587434454 VNMLWDWFZUTRHO-HVETUWLQSA-N 365.429 3.872 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccccn2n1 587866473 KMPJJFXOLBIRNC-UHFFFAOYSA-N 373.338 4.000 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(CS(=O)(=O)c1ccccc1)CC2=O 587481249 AMHCFZLOYDZLDU-HXUWFJFHSA-N 374.458 3.543 0 1 FHAF COc1cncc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587775937 VCKNTPJKHIRQDT-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF COc1cc2c(cc1OC)[C@](CCCC(=O)O)(C1CCC1)N(C)[C@@H](C)C2 962633521 KDIWHQXBRAXHNA-QKKBWIMNSA-N 361.482 3.831 0 1 FHAF CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C1(O)CCCC1)C=C/C=C/3CO 169296445 HTKFJZJCVCZWBR-DMZHJXJESA-N 372.505 3.787 0 1 FHAF Cc1nn(C)c2nc3ccccc3c(N3CCCC[C@H]3CCN(C)C)c12 169331192 LZBJFHVSDHJTFH-INIZCTEOSA-N 351.498 3.741 0 1 FHAF C[C@@H](Cc1ccc(Cl)cc1)n1c(O)cc(=O)n([C@H]2C[C@@H]3CC[C@@H]2C3)c1=O 169729790 NJGIWGDFJBKGJA-CRNXPOROSA-N 374.868 3.534 0 1 FHAF CCC(C)(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 201464314 MQIDSPHTELHOPO-LJQANCHMSA-N 356.510 3.855 0 3 FHAF Cn1cc2ccc(N3CCN(c4cncc5ccccc45)CC3)c(F)c2n1 1857562932 HAUUPUZCHBMRHQ-UHFFFAOYSA-N 361.424 3.587 0 1 FHAF O=C(c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1)C1CC1 1857579514 SATMTUYYSNGBAB-UHFFFAOYSA-N 364.489 3.870 0 1 FHAF COc1ccc(C(=O)N2CCC3(CCCN(c4ccccn4)C3)CC2)cc1 3955724 IOABFVNEXBMFQW-UHFFFAOYSA-N 365.477 3.613 0 1 FHAF O=C(Nc1ccccc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccnc2)cc1 100106633 XEOOIBHNAVXTTP-ZBYYUNFXSA-N 370.456 3.720 0 1 FHAF Cc1cccc(NC(=O)CCCNCC(=O)Nc2c(C)cccc2C)c1 28706763 TXRQDGZANHJYGM-UHFFFAOYSA-N 353.466 3.559 0 1 FHAF COc1cc([C@@H]2CN=C(c3cc4ccccc4[nH]3)O2)cc(OC)c1OC 27524670 OPGVKQSOFDJAFY-SFHVURJKSA-N 352.390 3.712 0 1 FHAF CC(C)N[C@@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]21CCC(=O)N1CCCC1 2356847767 OZJOBIGXZFNENI-GKJHBJHPSA-N 364.574 3.723 0 1 FHAF C=CC(=O)NCCOc1cccc2[nH]c(-c3n[nH]c4cc(C)ccc34)cc12 1911571270 CSXXWBYECXBLBV-UHFFFAOYSA-N 360.417 3.701 0 1 FHAF COc1ccc(-c2cn(CCC(=O)O)c(-c3ccc(Cl)nc3)n2)cc1 36387388 LBJSEZNVOYWDPC-UHFFFAOYSA-N 357.797 3.749 0 3 FHAF Cc1ccc(N2c3ccc(Cl)cc3S(=O)(=O)c3c(N)n[nH]c32)cc1 40411413 CURQYUQLDRDBFD-UHFFFAOYSA-N 360.826 3.570 0 1 FHAF COCc1cccc(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)c1 221471552 MMGFYOUMIJURJL-UHFFFAOYSA-N 374.444 3.788 0 1 FHAF COc1ccccc1-c1oc2c(C)c(OC)c(C)c(OC)c2c(=O)c1O 238787079 AETKISXOLOKTJV-UHFFFAOYSA-N 356.374 3.808 0 1 FHAF Cc1nc2ccccc2c(=O)n1NC(=O)/C(Cl)=C/c1ccc(Cl)cc1 98084836 LKRZHXGICFTITO-GDNBJRDFSA-N 374.227 3.708 0 1 FHAF COc1cccc(-c2cccc([C@]3(C4CCOCC4)N=C(C)C(N)=N3)c2)c1 95572231 INFFTYDAVRHZHS-JOCHJYFZSA-N 363.461 3.773 0 1 FHAF O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2ccc(F)cc2F)c1 621430391 TXVGTLBCQMMTCI-MRXNPFEDSA-N 357.356 3.558 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(C)nccc3[nH]2)cc1 587041591 ZRCWACPYVZALDM-MRXNPFEDSA-N 368.462 3.553 0 1 FHAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Cl)nc2[nH]1 586985086 YMVCXPBLRJZZPY-JTQLQIEISA-N 351.635 3.616 0 1 FHAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc1O 587773221 XTJMDKGYMPAFOO-VFZGTOFNSA-N 351.219 3.621 0 1 FHAF C[C@@H](F)[C@@H](N)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587125987 UUDSDIAOVULZCS-SPGJFGJESA-N 356.117 3.582 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc(Br)ccc1F)O2 587384263 CJVNUOYJZTXJTH-MRXNPFEDSA-N 365.202 3.754 0 1 FHAF Cc1nc2nc(C(=O)Nc3ccccc3Cl)[nH]c2cc1Br 587060481 NOFXHOKHUFQLQG-UHFFFAOYSA-N 365.618 3.935 0 1 FHAF CCCC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590514 CKWRSEWLMRBVFG-NQIIRXRSSA-N 370.401 3.846 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1O 587556540 KASNJSMUFTVNRH-JXFKEZNVSA-N 352.317 3.940 0 1 FHAF COC(=O)c1ccc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1OC 586886280 FGBOVCHADXCMNL-SJCJKPOMSA-N 354.406 3.504 0 1 FHAF COC(=O)c1ccc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1OC 586886288 FGBOVCHADXCMNL-YVEFUNNKSA-N 354.406 3.504 0 1 FHAF CC[C@H](C)OC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596236 PWHQPNNFDQGJDN-WMHILYHISA-N 370.401 3.844 0 1 FHAF Sc1nc(S)c2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2n1 587061285 UPJHDGMBRONBNV-UHFFFAOYSA-N 361.839 3.906 0 1 FHAF C[C@@]1(CCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348552 DIHXWHPEJSCCBE-QUCCMNQESA-N 358.365 3.904 0 1 FHAF COCc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587609104 BQOHDXLYQLRVKC-CRAIPNDOSA-N 369.398 3.698 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](CC(=O)O)C2)N1 587829104 QORSVCZQGLAMGK-KCWFYHRYSA-N 356.235 3.593 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)ccc1-n1ccnc1)[C@@H](C2)C3=O 587429022 RHWRDGBCKQEFMK-HRAATJIYSA-N 364.376 3.683 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587451941 CCXFHGKYPBJAGO-BTYIYWSLSA-N 352.386 3.605 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ncn2)N1 587703923 IBLMKDBCBLWHGZ-VXJOIVPMSA-N 370.653 3.829 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cn(C)c(=S)n1C 962394862 BXGZCLKHWDMTBF-KRWDZBQOSA-N 358.536 3.641 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(OC(F)(F)F)cc1)NCC2 962928614 SESATVADUKLPLU-QGZVFWFLSA-N 364.367 3.522 0 1 FHAF CCCSc1nc(Sc2ccccn2)c2nnn(CC(C)C)c2n1 1772657495 OZTNHXSFWOMOFC-UHFFFAOYSA-N 360.512 3.926 0 1 FHAF Cc1cc([C@@H]2CCCN(C(=O)c3ccc4ccccc4c3)C2)n2ncnc2n1 1772600241 TXIOKRWXRUIBEA-LJQANCHMSA-N 371.444 3.606 0 1 FHAF c1ccc(-c2nnc3c4ccccc4c(OCc4ccncc4)nn23)cc1 13559988 RGDHMJMNRYQXCW-UHFFFAOYSA-N 353.385 3.919 0 1 FHAF O=S(=O)(Cc1ccc(Cl)cc1)NCCCCCCCc1c[nH]cn1 26834435 JEOYDWDTJOMYBE-UHFFFAOYSA-N 369.918 3.676 0 1 FHAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1cccs1)CCCC3 103219400 OSRLZNOADVYZGS-INIZCTEOSA-N 370.474 3.966 0 1 FHAF C[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(N2CCCOCC2)c1 26731931 UZOYZIOFXGJPQL-DXRVJIQQSA-N 350.462 3.804 0 1 FHAF O=C(Nc1ccccc1)N1CCN(Cc2cccc(Br)c2)CC1 20543783 UEWYXFFZPDFEEZ-UHFFFAOYSA-N 374.282 3.799 0 1 FHAF CCCC[C@](C)(O)CC=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCO 2356331857 SPOAFZKFCYREMW-JYRKZWEQSA-N 354.531 3.773 0 1 FHAF CCCc1cccc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28256459 YXMHKKVQKFYSLQ-UHFFFAOYSA-N 371.444 3.696 0 1 FHAF O=C(Cc1ccccc1)N[C@H]1CCCO[C@H](c2ccc(Cl)cc2)OC1 28826719 XWGVERUUNNCEEP-ICSRJNTNSA-N 359.853 3.893 0 1 FHAF CCc1c2c(OC)c(OC)ccc2cc2[n+]1CCc1cc3c(cc1-2)OCO3 39062451 WTQSBAVXAARCGN-UHFFFAOYSA-N 364.421 3.659 0 1 FHAF O=C1CCC[C@@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@H]12 29239307 KHSVWSHGEADZAR-VBNZEHGJSA-N 364.218 3.537 0 1 FHAF COc1ccc(-c2ncco2)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c1 64553889 ILRXDTIUMPUMRM-UHFFFAOYSA-N 369.373 3.607 0 1 FHAF COC(=O)C=C(C)CC[C@]1(C)[C@H](C)C[C@H](O)[C@@]2(C)C(CO)=CCC[C@@H]21 2356685871 JBUAQUFKSAIGHN-UVRZSJBRSA-N 350.499 3.628 0 1 FHAF CC=CC(=O)N(CCCC)[C@@H](C(=O)NCc1ccccc1)c1cccnc1 2356863299 VEPRXSBWMULVMA-OAQYLSRUSA-N 365.477 3.644 0 1 FHAF CN(C)c1cccc(NC(=O)[C@]2(C)Cc3c(-c4cccnc4)ccnc3O2)c1 61907467 GGDAHOWDADLEKS-QFIPXVFZSA-N 374.444 3.542 0 3 FHAF COc1c(Cl)ccc2oc3cc4c(c(OC)c3c(=O)c12)[C@H]1C=CO[C@@H]1O4 5998669 POXKBPUNCDMQMW-LILOVNGRSA-N 372.760 3.963 0 1 FHAF biogenic CCCCCn1c(S)nc2cc(C(=O)N3CCCCC3)ccc2c1=O 34860857 IWHRASWJQGNRTR-UHFFFAOYSA-N 359.495 3.502 0 1 FHAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(OC)cc3)cc2)[nH]n1 72123066 IGDPIJXABCRPQQ-UHFFFAOYSA-N 365.389 3.514 0 1 FHAF Cc1ccc(C(=O)c2nc(NCc3ccncn3)nc3ccsc23)s1 49124639 SFYCKRAOKBZQQD-UHFFFAOYSA-N 367.459 3.694 0 1 FHAF COc1cc([C@@H]2CCc3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC 40409789 WWRPXYWYULKCGF-AWEZNQCLSA-N 374.433 3.816 0 1 FHAF COc1ccc(-c2cc(-c3ccc(-c4nnc(C)o4)cc3)cnc2N)cn1 95572864 VQEDNCKIUDHQGN-UHFFFAOYSA-N 359.389 3.760 0 1 FHAF COc1c(O)cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1C=C(C)C 95486076 VYUGTQZBYDILQF-KRWDZBQOSA-N 356.374 3.942 0 1 FHAF biogenic,in-vitro O=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1)c1ccc(F)cc1 95586622 YGIPXNYYYVPNBU-ROUUACIJSA-N 374.843 3.950 0 1 FHAF NC[C@@H]1[C@H](c2ccccc2)[C@]1(C(=O)N1CCc2ccccc21)c1ccccc1 261190741 ZAKNFBUXJCNYEX-VTZPFEBOSA-N 368.480 3.886 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)nn(C)c1C)[C@@H](C2)C3=O 587430382 DXYWBPTTZDUYRL-KSFYIVLOSA-N 360.413 3.893 0 1 FHAF O=C(Nc1nc(Cc2nc3ccccc3[nH]2)cs1)c1cccc(O)c1 587019892 RUIAWVXAXIHJLA-UHFFFAOYSA-N 350.403 3.568 0 1 FHAF CC(C)OC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796299 TTWHSUSBUWVKIU-QFYYESIMSA-N 358.251 3.679 0 1 FHAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1 586884321 UDXGYTRUQYZLQK-UHFFFAOYSA-N 355.463 3.748 0 1 FHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1 586930247 ILHFPMOLKLUPSE-UHFFFAOYSA-N 357.479 3.877 0 1 FHAF CS(=O)(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587096874 CUORMQLZSDUXDN-UHFFFAOYSA-N 358.316 3.791 0 1 FHAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4cc(N)ccc41)[C@@H](C2)C3=O 587433060 MSDYZIXYRZCLSG-CVDCTZTESA-N 355.393 3.949 0 1 FHAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cnnc(O)c2[nH]1 587034243 FTQLSISJUQPEJA-NSHDSACASA-N 367.434 3.544 0 1 FHAF C/C=C\Cc1c(CC(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990289 CFPIKCFQAQLQJH-ARJAWSKDSA-N 373.408 3.986 0 1 FHAF CCn1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587763280 IUNJZFXZAYODFV-ABKXIKBNSA-N 352.251 3.737 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4cccs4)n(C)n1)[C@@H](C2)C3=O 587449173 FRIUWZVZQZUHOI-HXPMCKFVSA-N 352.415 3.646 0 1 FHAF CCn1nccc1[C@@]1(/C=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587517903 WZKFCQAIXHYEHM-FYEXEBAFSA-N 365.477 3.718 0 1 FHAF COc1cccc2c1N(C(C)=O)[C@@]13CCC[C@]4(CCCN5CC[C@@]21[C@H]54)CC3 685935771 QUJGDBXRYRHXEW-ACESQOTJSA-N 366.505 3.871 0 1 FHAF biogenic,in-vitro Nc1cccc([C@@]2(CCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)c1 963099493 HUKNTWSBAXIMCO-UWJYYQICSA-N 354.425 3.537 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 962944858 FYDNYIRYIKQXSV-LRTDBIEQSA-N 365.864 3.966 0 1 FHAF O=C(CN1CCCCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1 149081373 WLHPWXHWUAHLBN-UHFFFAOYSA-N 371.525 3.507 0 1 FHAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1)[C@@H](O)C(C)(C)O2 13604645 MKZLNLDWNBISMJ-ZWKOTPCHSA-N 373.836 3.546 0 1 FHAF COc1cccnc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C 169703414 KOWHFQJWPHOPTR-UHFFFAOYSA-N 374.448 3.901 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(F)c1 169723968 DDVXIVUENZSSHM-RDJZCZTQSA-N 361.413 3.789 0 1 FHAF O=C(/C=C/c1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 206022960 CHAHIAQJPGDUQX-FPBOJHQQSA-N 370.811 3.754 0 3 FHAF CNc1cc(-c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O 1857557965 LYYKPVTZOZDMOF-UHFFFAOYSA-N 362.408 3.631 0 1 FHAF O=C(NCCCCCCNc1nc[nH]c2nccc1-2)Nc1ccccc1 1857572821 DHNHHGWPMSZPDB-UHFFFAOYSA-N 352.442 3.704 0 1 FHAF Cc1c(-c2nnc(-c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C 1633139 APWBWASUHPOENO-UHFFFAOYSA-N 366.808 3.855 0 1 FHAF O=C(O)c1cc2c(cc1C[C@@H](Cc1ccc3c(c1)CCC3)C(=O)O)CCC2 1646092 YAVADTCKKPLTJJ-HXUWFJFHSA-N 364.441 3.848 0 1 FHAF Cc1ccc(C2=C(CC(=O)O)[C@@H](c3ccc(Cl)cc3)NC(=N)N2)cc1 103262472 BWGYRJQHWJGJDI-GOSISDBHSA-N 355.825 3.703 0 1 FHAF CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cc1 103242303 VPBNCIYYRAHDEJ-UHFFFAOYSA-N 350.462 3.792 0 1 FHAF Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)c(C=O)cc12 26486398 IVPLVBYCSYBHBA-UHFFFAOYSA-N 365.385 3.565 0 1 FHAF CC(=O)NCCCCCC(=O)NCC(C)(c1ccccc1)c1ccccc1 24745515 MAIFFKZTBREDPM-UHFFFAOYSA-N 366.505 3.805 0 1 FHAF Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1 28641952 GRFIIHPKXRMXIW-UHFFFAOYSA-N 350.749 3.742 0 1 FHAF O=S(=O)(NCCCCCCc1c[nH]cn1)c1ccc2ccccc2c1 29490015 VUAQDQKFMONHOQ-UHFFFAOYSA-N 357.479 3.644 0 1 FHAF CN1C(=O)c2ccccc2[C@H]1CCN1CCN(c2ccc(Cl)cc2)CC1 29243748 XWNSNFBCWKDIED-HXUWFJFHSA-N 369.896 3.679 0 1 FHAF COC(=O)C=C(C)CC[C@@H]1C(C)=C[C@H](O)[C@@H]2[C@](C)(CO)CCC[C@]12C 2356440581 HXAKMRKMIMKHHX-LXDWIVHCSA-N 350.499 3.628 0 1 FHAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 2356674811 VICGGTFZJUHFFO-IPMKNSEASA-N 369.509 3.791 0 1 FHAF CC(=O)Nc1ccc(C)c(Nc2nccc(-n3cnc4ccccc43)n2)c1 36187667 MFWMSHGTKRIJJF-UHFFFAOYSA-N 358.405 3.826 0 1 FHAF COc1c(Cl)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@@H]1CCO[C@@H]1O4 13374546 JLTNUBHYPWOYAB-ULCDLSAGSA-N 360.749 3.536 0 1 FHAF biogenic c1ccc(N2CCN(CCCSc3nc4ccccc4o3)CC2)nc1 40916606 AHNRDNGNUMIWLX-UHFFFAOYSA-N 354.479 3.527 0 1 FHAF in-vitro CCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 40952200 QVTJBUGLMQTEPZ-FQEVSTJZSA-N 372.440 3.910 0 1 FHAF Cc1ccc(CN2C[C@]3(CC(C)(C)Oc4ccccc43)OCC2=O)cc1 40849230 KTEUMPLAHMTXQS-QFIPXVFZSA-N 351.446 3.810 0 1 FHAF CCCNC(=O)Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 95785003 AYWHODWVPFOYJB-HXUWFJFHSA-N 354.475 3.534 0 1 FHAF C[C@@H]1[C@@H](N2CC(=O)N(C3CC3)[C@@H](c3ccc(F)cc3)C2=O)CCC[C@H]1C 621432899 PLBMVQZTGBBZFH-IUHVXIRESA-N 358.457 3.525 0 1 FHAF CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccccc2)n1 299882296 PLDYMBWEENIJER-CRAIPNDOSA-N 352.482 3.908 0 1 FHAF COc1ccccc1/C=C\CN1C[C@@H]2CCC[C@H](C1)[C@]2(O)c1cccnc1 299855829 GPOIPVRAQNIIHX-UCWYOAPHSA-N 364.489 3.723 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3nccn3C)cc1)O2 587391226 QLOFWQOKKBLDOY-IBGZPJMESA-N 363.417 3.596 0 1 FHAF Cc1c(-c2c[nH]ccc2=N)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988055 XARVPGJIXGJYPK-UHFFFAOYSA-N 353.381 3.935 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)C(C)C)c1)[C@@H](C2)C3=O 587433497 RINAIEUDXZKMPS-HTAPYJJXSA-N 365.429 3.953 0 1 FHAF Cc1cc(-c2nc3cc(F)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123063 BDBSNYZBXHJNDR-UHFFFAOYSA-N 373.331 3.939 0 1 FHAF COc1cccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c1 587932959 XPCHWSPBEGQMCA-UHFFFAOYSA-N 352.619 3.973 0 1 FHAF CC(=O)NC(C)(C)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587758969 ZLOUQQPQQLTLIC-BTDLBPIBSA-N 371.294 3.642 0 1 FHAF CCc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1CC 587763690 LJFRDQSAOSFFHX-DYZYQPBXSA-N 366.278 3.991 0 1 FHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc3[nH]ncc3cc2[nH]1 587149667 PEIPRQIPBGUKTL-UHFFFAOYSA-N 350.332 3.785 0 1 FHAF CCOCc1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)o1 586903017 KPGIQXRHXFZQEJ-UHFFFAOYSA-N 365.183 3.820 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)Cc2ccnn2C)N1 587762147 XHRPINFRDKLIJZ-CZIZLABSSA-N 366.278 3.776 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OCc3ccccc3)no1)O2 587394977 MSSDAXGCCCDVHI-QGZVFWFLSA-N 350.374 3.851 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CCC(F)(F)F)(C(=O)OCC)CC2=O 587462759 SLMKKYXJBNNCMF-QGZVFWFLSA-N 374.355 3.954 0 1 FHAF COc1ccc(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587946842 YXZNGGJUAQPMFP-UHFFFAOYSA-N 351.381 3.788 0 1 FHAF Oc1ccccc1C1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 586897312 ZTGMDPCRVWPJDZ-UHFFFAOYSA-N 354.719 3.762 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)nc2)N1 587739440 BFIVDOZTZPVFRC-DYZYQPBXSA-N 364.262 3.673 0 1 FHAF COc1cc(OC)c2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 587233417 OLRJMCJQWSTKTJ-QWHCGFSZSA-N 361.442 3.741 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N1CCCCCC1)CC2=O 587473758 BZAJFTJRBBPSDB-OAQYLSRUSA-N 359.466 3.861 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCC(=O)O)cc1)CC2=O 587484453 RVFBOCDJCAXVEH-LJQANCHMSA-N 370.401 3.905 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1cc(Cl)cn1 587871264 RKVQZSAUXGLQTK-UHFFFAOYSA-N 362.792 3.668 0 1 FHAF CCCCOc1cc2nc(C[C@@H](C)N(C)C)[nH]c2cc1Br 587192513 UYILRCDARNQXLI-LLVKDONJSA-N 354.292 3.997 0 1 FHAF Oc1cncc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962958456 OIGCOEFUODQDDU-KRWDZBQOSA-N 364.367 3.547 0 1 FHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc3cc(O)ccc3c2)N1 963229301 JVCXIZWMJKYWGK-FGZHOGPDSA-N 370.408 3.782 0 1 FHAF Cc1ccc2c([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c[nH]c2n1 962760069 CRJWUFFFAVNWHM-JKSUJKDBSA-N 359.351 3.606 0 1 FHAF CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1 149552792 KDGBHXZBYIEGAA-UHFFFAOYSA-N 373.459 3.569 0 1 FHAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CC)c1 775782 XYEVXSHGIVGKLT-AWEZNQCLSA-N 360.454 3.539 0 1 FHAF O=C1CCCc2c1cc(C(=O)Nc1ccccc1)c(=O)n2-c1ccccc1 2469745 GRXRJLJSIURAFQ-UHFFFAOYSA-N 358.397 3.609 0 3 FHAF O=C(Nc1cccnc1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 4192719 KWZJSEIGYQNKLC-SFTDATJTSA-N 369.424 3.557 0 1 FHAF Cc1nn(C(=O)CCC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc12 6768726 ZVMGTFAYQVZBGZ-LJQANCHMSA-N 361.445 3.959 0 1 FHAF COc1cccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccnc3)cc2)c1 100101388 BAZVKYCTCDUOMO-BKFWDETESA-N 371.484 3.697 0 1 FHAF COc1cccc([C@H](O)c2nc(-c3cccc(NC(C)=O)c3)cs2)c1 61905339 PFYOLHDBVJZALA-SFHVURJKSA-N 354.431 3.859 0 3 FHAF CC(=O)O[C@@H]1C[C@]2(O)C(C(=O)O)=C(C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 2356506869 QUZURXHTHRMFJE-CLFNVJJBSA-N 364.482 3.697 0 1 FHAF Nc1cc(O)c(-c2nn(-c3ccc(Cl)c(Cl)c3)c(=O)o2)cc1Cl 35242366 UOHGUABJZDIZEK-UHFFFAOYSA-N 372.595 3.741 0 1 FHAF CO[C@@]1(C2CC2)CCCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 43013899 GQUJPMOPVZJMPA-FQEVSTJZSA-N 365.539 3.954 0 1 FHAF CC(C)OC(=O)C1=CCCC[C@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 40861735 CRJRZFSNSIKCBC-MRXNPFEDSA-N 374.861 3.824 0 1 FHAF OC1([C@@H](CN2CCNCC2)c2cc(Cl)sc2Cl)CCCCC1 49090060 DMULXMAWQFEZSA-ZDUSSCGKSA-N 363.354 3.739 0 1 FHAF O=C(Cc1ccccc1NC(=O)c1ccccc1)Nc1ccccc1C(=O)O 84653073 OYBNFBCJSABLOO-UHFFFAOYSA-N 374.396 3.818 0 1 FHAF COc1cc(O)c(CCC(C)(C)O)c2c1C(=O)C[C@H](c1ccc(O)cc1)O2 145405501 JQWULGFGOLVSDP-QGZVFWFLSA-N 372.417 3.516 0 1 FHAF in-vitro CCN1CC2=C(NC(=S)N[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 96282937 BCBPTKMBLADSLS-ITICKHJUSA-N 361.514 3.879 0 1 FHAF CC(C)(C)[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1 148864889 ZAIPGFQJHPUGIG-QZTJIDSGSA-N 353.418 3.920 0 1 FHAF COC(=O)c1oc2ccccc2c1Nc1cc(OC)c(OC)c(OC)c1 299851698 IRFSQQAOQCTVHB-UHFFFAOYSA-N 357.362 3.989 0 1 FHAF Cc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587589906 YPRHUIIOUFIVGP-UZLBHIALSA-N 351.358 3.874 0 1 FHAF CC(C)n1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587763686 LIFPULISHLZGIM-QFYYESIMSA-N 352.251 3.989 0 1 FHAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587039629 HHKOZVWKJXIEID-JTQLQIEISA-N 374.388 3.959 0 1 FHAF C=Cn1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587763647 KWRRJNVSTSFBBA-XXFAHNHDSA-N 350.235 3.817 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCCc3c[nH]nc32)[C@H]1c1ccc(F)cc1 587349379 UOZCVNOIXUFPMR-GHTZIAJQSA-N 364.376 3.845 0 1 FHAF O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611794 JQZPNOGGVZUZPR-MAUKXSAKSA-N 368.366 3.855 0 1 FHAF Cn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587345265 ZEMKMILKVATWPH-UYAOXDASSA-N 352.365 3.539 0 1 FHAF Oc1c(F)cc(F)cc1-c1nc2cccc(I)c2[nH]1 587133876 GFEWXLOLVQRFCP-UHFFFAOYSA-N 372.112 3.818 0 1 FHAF Cc1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c1 587182442 ORMAIVKTHWMQGI-SNVBAGLBSA-N 366.206 3.590 0 1 FHAF COC(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2n1 587032301 HLBYUPMJHDFHGC-UHFFFAOYSA-N 364.430 3.752 0 1 FHAF C[C@@]1(C2=COCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360815 WONXRZATRZKUFW-ICSRJNTNSA-N 356.349 3.537 0 1 FHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccnc(Br)c2[nH]1 587174540 KMXDZYYFNLFJLI-NSHDSACASA-N 374.217 3.583 0 1 FHAF COC(=O)[C@@H]1c2ccccc2C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527112 VDVMVUNNIIGUBZ-REWPJTCUSA-N 362.425 3.782 0 1 FHAF CCOc1ccc(-c2nn(C(=N)S)c(=O)c3ccccc23)cc1OCC 587669106 AQGMEDQHCQNEDO-UHFFFAOYSA-N 369.446 3.574 0 1 FHAF CCNC(=O)CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587231415 WWCZCCHGLSLVRW-UHFFFAOYSA-N 350.447 3.908 0 1 FHAF CCCn1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587758731 XXWRZGSGUFALNB-QFYYESIMSA-N 352.251 3.818 0 1 FHAF COc1cc2c3c(c1)O[C@@](Cc1ccncc1)(c1ccccc1)[C@@H](C2)C3=O 587435661 HZNFTQQUULFCSU-CVDCTZTESA-N 357.409 3.976 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cncn23)N1 587774724 XBPXJSVNBBOKND-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF Cc1[nH]c(=N)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993318 FVRLWWHZDFMQCP-UHFFFAOYSA-N 359.410 3.996 0 1 FHAF COc1cc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cnc1OC 962720933 XSFAUOXLNPSRTR-KUHUBIRLSA-N 374.481 3.691 0 1 FHAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4cnccc34)nc21 5841826 LUYCFGBPBPYQHG-UHFFFAOYSA-N 370.416 3.768 0 1 FHAF COc1ccc(COC(=O)N(c2ccccc2)[C@H]2CN3CCC2CC3)cc1 1857544317 GEULRCAVYVOGLC-NRFANRHFSA-N 366.461 3.933 0 1 FHAF O[C@@H](c1cccc(C(F)(F)F)c1)c1n[nH]c(=Nc2ccccc2)s1 1857598785 JFYHMDDPUFEBDO-ZDUSSCGKSA-N 351.353 3.804 0 1 FHAF C[C@H]1CCCN([C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)C1 3742116 XEGOBYSRTDSXFT-MGPUTAFESA-N 352.434 3.827 0 3 FHAF O=C(O)c1cc(C(F)(F)F)ccc1C(=O)Nc1ccc2c(n1)CCCC2 103233800 GGNQGWGMXHHBCE-UHFFFAOYSA-N 364.323 3.930 0 1 FHAF O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1ccccc1C2)c1ccc(Cl)s1 102011077 DIGSRNGZVYWJEK-HALDLXJZSA-N 367.923 3.873 0 1 FHAF COc1ccc(-c2cc3nc(NCCOc4ccccc4)ccn3n2)cc1 61906837 DAQXIDULLZMZJB-UHFFFAOYSA-N 360.417 3.896 0 3 FHAF Cc1cc(F)c(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1 71294407 MRVAXABWVDTIRE-UHFFFAOYSA-N 366.436 3.833 0 1 FHAF COc1cc2c3c(c1OCC1CC1)-c1cc(N)ccc1C[C@H]3N(C)CC2 1911575368 YYHSDXRKBYKGQO-GOSISDBHSA-N 350.462 3.818 0 1 FHAF O=C(OC1C[C@@H]2CC[C@H](C1)N2)c1cn(CC(F)(F)F)c2ccccc12 220958416 RPGTXWHKWXEQPX-FUNVUKJBSA-N 352.356 3.643 0 1 FHAF Nc1ncc(-c2ccc(-c3ccccc3-c3cnc(N)nc3)cc2F)cn1 224825854 KGZOHCYPNXSTKO-UHFFFAOYSA-N 358.380 3.571 0 1 FHAF O=C(NCc1c(Cl)cc(Cl)cc1Cl)[C@H]1COc2ncccc21 224618057 CZPLKOIQGWGITH-NSHDSACASA-N 357.624 3.834 0 1 FHAF NCC(=O)N(Cc1cccnc1)c1ccc(-c2nc3ccccc3s2)cc1 96937926 HGZPMOZVQYACMJ-UHFFFAOYSA-N 374.469 3.850 0 1 FHAF CCOC(=O)c1c2nc(N)c3ccccc3c2nn1-c1ccc(Cl)cc1 95589233 ATYIBDCSHCBNGW-UHFFFAOYSA-N 366.808 3.986 0 1 FHAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3/C=C/c3ccccc3)ccc12 96905468 BCXCZLHLOYVIPS-TYOLEZHBSA-N 362.454 3.956 0 1 FHAF Cc1cc(NCc2cccnc2C(F)(F)F)c2cccc(C(N)=O)c2n1 473090887 QDYPGXYAESBHSM-UHFFFAOYSA-N 360.339 3.668 0 1 FHAF CC[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)C[C@@]12NNC(=S)N2 299846333 KUAQYUNEZTVRNS-DOADOZAASA-N 353.491 3.594 0 1 FHAF CC(C)[C@]1(c2nccn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578649 ROPONMVMPFIHAY-UWJYYQICSA-N 364.401 3.639 0 1 FHAF Oc1nc(O)c2ccc(-c3ccc(Cl)c(Br)c3)nc2n1 587365625 FSTLIWQABZGKRQ-UHFFFAOYSA-N 352.575 3.519 0 1 FHAF C[C@@]1(c2ccc(S(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530732 GVNIQMXEOPDNBE-NRFANRHFSA-N 370.470 3.850 0 1 FHAF Cc1nn(C)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587759133 SNJGVWJSYVKMOO-ZKANADHPSA-N 352.251 3.562 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccncc1NC(=O)C(C)(C)C)[C@@H](C2)C3=O 587432056 JXNUEKBXTDYIHU-LIRRHRJNSA-N 366.417 3.564 0 1 FHAF Oc1ccc(OCc2ccccc2)n1-c1nc(N2CCCCC2)ncc1F 587945305 MSHJLSHPIJQGQG-UHFFFAOYSA-N 368.412 3.681 0 1 FHAF CCOC(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587175559 ZRBOYCLWIJVXDV-HXUWFJFHSA-N 368.364 3.507 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Cl)[C@@H](C2)C3=O 587422766 QPZZKQRRZPUPEN-ISVAXAHUSA-N 372.730 3.590 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1csc(=N)[nH]1)(c1ccccc1)O2 587414337 UGYZOXZZFXYTSD-FQEVSTJZSA-N 365.458 3.550 0 1 FHAF CC(C)COc1ccc(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651946 HOVAEUJXNHKEOQ-UHFFFAOYSA-N 370.836 3.968 0 1 FHAF Nc1ccc(F)c(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587141404 QRTPYUJTYGQKEY-UHFFFAOYSA-N 360.261 3.924 0 1 FHAF CCS(=O)(=O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 587026856 ZBVNKLPKZWEUQM-UHFFFAOYSA-N 352.506 3.851 0 1 FHAF Cc1c(F)ccc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587500487 CEUDLGYRXWYDOJ-NRFANRHFSA-N 351.377 3.826 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1c(F)cccc1-n1ccnc1)[C@@H](C2)C3=O 587422832 GCCNEXQQFGAEAL-QKKBWIMNSA-N 364.376 3.683 0 1 FHAF COc1cc2c3c(c1)O[C@@](C1CCC1)([C@H](C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587441905 VAJPUFWGZQIURV-CKRFGLGXSA-N 372.461 3.959 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2C(=O)O)N1 587844363 NGXOIGXKAKRHNN-FUXBKTLASA-N 370.243 3.972 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ncccn4)cc1)[C@@H](C2)C3=O 587435883 JTRRFDQDBUBICF-OXJNMPFZSA-N 360.369 3.766 0 1 FHAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccncc2F)N1 963190756 WTVZVYKKWXYLMJ-ZIAGYGMSSA-N 374.721 3.581 0 1 FHAF O=C(N[C@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@H]1CCC[C@@H]2C1 13451337 ZIAMDRHEQRSMSY-XUWXXGDYSA-N 360.885 3.583 0 1 FHAF C[C@H](c1nc(-c2ccc(Cl)cc2Cl)co1)[C@H](N)C(=O)N1CCCC1 14948470 LBLKEJIDGLHZAL-BONVTDFDSA-N 368.264 3.702 0 1 FHAF O=C(c1cc(-n2ccc3cnccc32)c(O)cc1O)N1Cc2ccccc2C1 169343528 HWXYPOSCBPQPMK-UHFFFAOYSA-N 371.396 3.593 0 1 FHAF O=C(NCc1ccccc1)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169721988 ZLZPWLXKGNEOPF-CALCHBBNSA-N 372.424 3.959 0 1 FHAF O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccc(F)cc1)N1CCCCC1 3742071 VXHNOMCFBNHUCL-FQEVSTJZSA-N 370.424 3.763 0 3 FHAF O=C(Nc1ccccc1)N1CC2(CCN(C(=O)Oc3ccccc3)CC2)C1 3956008 SMQJEAGSFCHHHE-UHFFFAOYSA-N 365.433 3.815 0 1 FHAF COC(=O)[C@@H]1[C@H](c2ccc(Br)c(Cl)c2)C[C@H]2CC[C@H]1N2C 101022513 CKYZQAZVIFDTJK-BAESOJJISA-N 372.690 3.842 0 1 FHAF CCN(CCO)CCCCCCNc1cc(OC)cc2c(C)ccnc12 28092081 HTBKYAHKYRPMHV-UHFFFAOYSA-N 359.514 3.838 0 1 FHAF O[C@H]1[C@H](N2CC=CCC2)c2ccccc2C12CCN(Cc1ccccc1)CC2 20201860 CVDMCQKZFJDGSZ-RPWUZVMVSA-N 374.528 3.898 0 1 FHAF COC(=O)CNc1cccn2c(CC3CCCCC3)c(C)c(C(=O)O)c12 27191745 KQGRGIHJVPTCEH-UHFFFAOYSA-N 358.438 3.654 0 1 FHAF CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 64448627 XNCBCWQLSZMOOC-UHFFFAOYSA-N 353.510 3.909 0 1 FHAF CC=C1[C@H]2C[C@@H]3c4c(c5cc(O)ccc5n4[C@@H](C2)O[C@H]1OC)CCN3C 2356524491 GNHJRZWCDXRDDL-RPGGZDKBSA-N 354.450 3.734 0 1 FHAF CCN(CC)CC1=C(O)C=C[C]2C1=C1C=CNc3c1n2c(=O)c1ccccc31 2356848229 CSOUAPLHJIEBAB-UHFFFAOYSA-N 372.448 3.812 0 1 FHAF CCOC(=O)C[C@@H]1C(=O)n2nc(C)c(-c3ccc(Cl)cc3)c2N=C1C 36378094 GSBXRLHDYXMJBS-AWEZNQCLSA-N 359.813 3.828 0 1 FHAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(c3ncccn3)C[C@@H]2C1 36289101 LWUYMBKCCILSCM-RBBKRZOGSA-N 360.505 3.655 0 1 FHAF O[C@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1nc[nH]n1 72103912 SBYRVULCUOUHQX-HNNXBMFYSA-N 353.731 3.761 0 1 FHAF COc1cc(CN(C)Cc2coc(-c3ccco3)n2)cc(OC)c1OC 72181960 GMQBUZUKLAUNTI-UHFFFAOYSA-N 358.394 3.592 0 1 FHAF Cc1c(OS(=O)(=O)c2ccccc2Cl)cccc1C1CCNCC1 45483758 RLAWPCJIPSZDAG-UHFFFAOYSA-N 365.882 3.883 0 1 FHAF O=c1c(-c2ccccc2)nnc2n(CCc3ccccc3)c3ccccc3n12 84669080 KSXSOEGTPRCMSB-UHFFFAOYSA-N 366.424 3.954 0 1 FHAF COC(C)(C)CCc1noc(-c2cc3c(CCN(C)C)cccc3[nH]2)n1 40566808 LDKABOSDJWNKRP-UHFFFAOYSA-N 356.470 3.680 0 1 FHAF CC1(C)CCN(C(=O)c2ccc(C3CC3)c(OC[C@H]3CCCO3)n2)CC1 146256603 HUQMYKIOYJNAAO-MRXNPFEDSA-N 358.482 3.779 0 1 FHAF CCCS(=O)(=O)c1ccc2[nH]c(N3CC[C@H](c4ccccc4)C3)nc2c1 95573703 VZLRZZSIKSDTHI-INIZCTEOSA-N 369.490 3.741 0 1 FHAF CCc1ccc(CCNC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1 263590729 LRMHWVOYRSIOPA-MHTWAQMVSA-N 356.510 3.781 0 3 FHAF CCN1C(=O)c2cccc3c(S(=O)(=O)NC4CCCCCC4)ccc1c23 263621072 TWESOBGJQLUFED-UHFFFAOYSA-N 372.490 3.821 0 1 FHAF in-vitro CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@H](C)CN(C)C 299887422 YUUMXWVTUXKIMX-FHLIZLRMSA-N 365.543 3.828 0 1 FHAF O=c1cc(CO)oc([C@H](c2ccc(F)cc2)c2c[nH]c3ccccc23)c1O 299824166 AQWKYXTXDFVWSN-LJQANCHMSA-N 365.360 3.638 0 1 FHAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1ccnc1 587388928 BTTAKDYQHQBPLE-HXUWFJFHSA-N 363.417 3.537 0 1 FHAF CC1(C)C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCO1 587618277 TVJMOXMMSDMQQI-VOWSPCBNSA-N 354.402 3.928 0 1 FHAF O=C1c2ccccc2-c2cc(C3C(=O)CCCC3=O)nc3ccc(O)c1c23 586989515 AFNIYCQJTQVFSR-UHFFFAOYSA-N 357.365 3.558 0 1 FHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587926535 ICNHBDDXWCLXQV-UGSOOPFHSA-N 354.410 3.846 0 1 FHAF COC(=O)C1C[C@@H]2CC[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 587522624 GJINQERTSSVKNZ-GERGAVKQSA-N 354.446 3.879 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2[nH]ccc12 587586067 BAQLTIZMXSFXFQ-PXNSSMCTSA-N 358.353 3.971 0 1 FHAF CC(C)Oc1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587034700 JVMMXEMENIAVMV-UHFFFAOYSA-N 355.463 3.830 0 1 FHAF CC[C@]1(C)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(N)ccc2O1 587434455 VNMLWDWFZUTRHO-NPFVIJTESA-N 365.429 3.872 0 1 FHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1cccnc1 587623341 QJYUKVOAVXVRTC-UHFFFAOYSA-N 370.210 3.762 0 1 FHAF Cc1nc(-c2ccccn2)nc(-n2ncc3ccc(Cl)cc3c2=O)c1C 587653083 PPZZBQNRKTVKFJ-UHFFFAOYSA-N 363.808 3.508 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H]2CCCCN2)N1 587799080 WCEDGJNHJTUTSQ-ZUCKAHLUSA-N 355.295 3.870 0 1 FHAF COC(=O)c1cc(OC)n(-c2cc(Cl)cc(Br)c2)c1OC 587941594 TWWXTMXGLZUTGW-UHFFFAOYSA-N 374.618 3.697 0 1 FHAF CC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)c1 587577144 MOTRVJLHRFUQGG-GHTZIAJQSA-N 363.369 3.636 0 1 FHAF FC(F)(F)c1ccn(Cc2cc(-c3nc4nccc(Cl)c4[nH]3)no2)n1 587119357 WNEMHJLMFSGKIH-UHFFFAOYSA-N 368.706 3.530 0 1 FHAF C[C@@H](c1nc2ccc(I)cc2[nH]1)n1cc(Cl)cn1 587079792 NPFNMWDGELXMEW-ZETCQYMHSA-N 372.597 3.627 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@](Cc2ccccn2)(C2CCC2)N1)C(F)(F)F 962728101 CGWYHHQHQCFZLF-ICSRJNTNSA-N 374.406 3.965 0 1 FHAF Cc1cccc(Br)c1[C@@]1(C)NCCc2nc3ccccn3c21 962983306 KWXOCHFRXOEXLT-GOSISDBHSA-N 356.267 3.814 0 1 FHAF CC(=O)c1cc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)n(C)c1 961615595 QCEKWYCOPIDSNV-QGZVFWFLSA-N 359.267 3.758 0 1 FHAF Cn1nc(-c2ccccc2)c([C@@H]2NCCc3nc4ccccn4c32)c1Cl 962984342 CTDUPDUGRDDCFP-SFHVURJKSA-N 363.852 3.623 0 1 FHAF CN(C)c1nccc(-c2cccc(NC(=O)Nc3cccc(F)c3)c2)n1 1772572202 RCZCHKJSCRDNHH-UHFFFAOYSA-N 351.385 3.993 0 1 FHAF Fc1ccc(CN[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772648300 DRVCINFCPHBBNF-KOMQPUFPSA-N 364.428 3.561 0 1 FHAF O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1S(=O)(=O)c1ccccc1 5831611 VYYHECSZIFMLKM-MFCMXAAESA-N 363.438 3.684 0 1 FHAF CCCN(CC1CC1)c1nc(C)nc(Nc2ccc(OC)cc2OC)n1 13759954 WOZVVZMRGWUCLL-UHFFFAOYSA-N 357.458 3.567 0 1 FHAF Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccccc4Cl)c3=O)nc2c1 169320280 XSYJZHYZUDDION-UHFFFAOYSA-N 352.825 3.903 0 1 FHAF CN(C)C(=O)CCCCN[C@]1(c2ccccc2Cl)CCCCC1=O 1857540203 SYHPLBVJJGSIET-IBGZPJMESA-N 350.890 3.527 0 1 FHAF COc1ccc(OC)c(-c2cc(-c3ccc4c(c3)OCO4)cc(O)n2)c1 1857560388 BPRCURAMUUUINS-UHFFFAOYSA-N 351.358 3.867 0 1 FHAF Cc1ccc(-c2cnc(N)c(NCc3ccnc(NC(=O)C4CC4)c3)c2)cc1 1857564433 RGBUOAKBYAMYJY-UHFFFAOYSA-N 373.460 3.995 0 1 FHAF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1C1COC1 1857772842 LBDVZKHSKQNRAK-UHFFFAOYSA-N 354.494 3.990 0 1 FHAF CCCCNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O 2469737 GYAJERCDRSLPJH-UHFFFAOYSA-N 372.852 3.540 0 1 FHAF CNCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 29239166 HPCCSWYCQXXPCM-UHFFFAOYSA-N 350.205 3.960 0 1 FHAF Cn1nc2c(c1O)[C@H](c1ccc(F)cc1)O[C@H](CCc1ccccc1)C2 102854145 AIXDLJSJCJOIBM-XLIONFOSSA-N 352.409 3.928 0 1 FHAF COC(=O)C[C@@H]1CC[C@@H]2[C@@H]3CC(=O)C[C@]3(C)CC[C@@H]2[C@@]1(C)CC(=O)OC 2356410664 AFGHZESPMGURDO-VQIOFUNBSA-N 364.482 3.541 0 1 FHAF CC[C@@H](CO)Oc1cc(NCc2cccnc2)c2ncn(C(C)C)c2c1 61948933 FYQFODFIAJONEY-INIZCTEOSA-N 354.454 3.774 0 3 FHAF Nc1ccccc1NC(=O)c1ccc(CN2Cc3ccccc3C2=O)cc1 28826534 KCSVRKRCTROBLM-UHFFFAOYSA-N 357.413 3.677 0 1 FHAF Clc1ccc(CN(CCn2ccnc2)CCn2ccnc2)c(Cl)c1 64470270 GBIGIWYLVPYNEL-UHFFFAOYSA-N 364.280 3.589 0 1 FHAF COc1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1 72124937 IKFRWHXPXCHEFR-UHFFFAOYSA-N 371.487 3.758 0 1 FHAF COc1ccc(C[C@H](C)[C@H](C)[C@@H](O)c2ccc3c(c2)OCO3)cc1OC 14646556 NJZFDQRQCKAWQT-DGCWBMGLSA-N 358.434 3.981 0 1 FHAF biogenic N=C(N)SCc1cccc2c1oc1c(CSC(=N)N)cc(F)cc12 43199848 QBCGOAKVJHROLO-UHFFFAOYSA-N 362.455 3.978 0 1 FHAF CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@@H]3CCCNC3)cc2)cc1 84688329 NQPKFYTWQKOHLO-HXUWFJFHSA-N 365.477 3.544 0 1 FHAF CCc1nc(C(=O)N2CCC[C@@H]2C(=O)OCCC2CCCCC2)cs1 82073547 ZXZQEXHWHAKFBL-MRXNPFEDSA-N 364.511 3.824 0 1 FHAF CCCCOCCCNc1cncc(Oc2cccc(NC(C)=O)c2)n1 82068638 WHZPHPRNWPZPHN-UHFFFAOYSA-N 358.442 3.846 0 1 FHAF Nc1nccc(-c2ccc3nc([C@H]4COc5ccc(F)cc5C4)oc3c2)n1 40860909 SKTFFJCCFCEJCG-CYBMUJFWSA-N 362.364 3.725 0 1 FHAF CCOC(=O)C[C@H](C)Nc1cc(-c2ccccc2C(F)(F)F)ncn1 82160833 QFZDZFKMUIBLEH-NSHDSACASA-N 353.344 3.916 0 1 FHAF Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](O)CC3)cc12 261169296 SOKGISXMMUGLIT-CTYIDZIISA-N 361.511 3.945 0 1 FHAF CSCCc1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O 299873904 AMRUIPIFXBDZGZ-XJKSGUPXSA-N 358.511 3.795 0 1 FHAF COc1nn2cc(-c3nc4cc(OC(F)(F)F)ccc4o3)nc2s1 653665384 NQLLCWVSXSEKDD-UHFFFAOYSA-N 356.285 3.506 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120913 ZPKUHMLXQLASRP-CYBMUJFWSA-N 360.299 3.849 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2ccccc2[C@H]1C(=O)OC 587480809 PJTCNVNLKRLFON-SIKLNZKXSA-N 366.413 3.562 0 1 FHAF CCn1cc(Br)c(Cc2nc3ccc4nc(C)ccc4c3[nH]2)n1 587001526 ZILLKTRBUKTVKE-UHFFFAOYSA-N 370.254 3.989 0 1 FHAF O=C(O)c1cccnc1SCc1nc2cc(Cl)c(Cl)nc2[nH]1 586966640 HGZWSTRNNGSXOK-UHFFFAOYSA-N 355.206 3.650 0 1 FHAF O=C(O)C[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531423 FZDHOKBLSSRTGT-OAQYLSRUSA-N 352.386 3.606 0 1 FHAF CCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587762452 DYQVXJCHJRXSFN-ABKXIKBNSA-N 352.251 3.737 0 1 FHAF C[C@@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)N(C)C 587192718 ZXJFIUDYUINESX-ZETCQYMHSA-N 361.081 3.581 0 1 FHAF Cc1ccc([C@@]2(c3ccccc3C(=O)O)NCCc3c(C)ccnc32)cc1 963071412 RRPXGTDSDZFBIF-QHCPKHFHSA-N 358.441 3.834 0 1 FHAF CCOc1ccccc1-n1cccc1[C@H]1NCCc2c1c(C(C)C)nn2C 962925292 YTAGOSWQNABZLW-JOCHJYFZSA-N 364.493 3.968 0 1 FHAF Nc1ncnc2c1c(Sc1cccc(Cl)c1)cn2CC1CCNCC1 1772627298 DHZOVUBXRCCMBB-UHFFFAOYSA-N 373.913 3.818 0 1 FHAF O=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)N1CCC(O)CC1 12075810 VQQVOSSCTBMNQI-SFHVURJKSA-N 359.853 3.551 0 1 FHAF O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 1857595758 OUPIDEAYKWCYML-CYBMUJFWSA-N 374.366 3.997 0 1 FHAF CCN(CC)CCSc1nnc2c3c(cnn12)Sc1ccccc1N3 1857631687 ATJFZLPDIKUCPT-UHFFFAOYSA-N 372.523 3.766 0 1 FHAF CSc1nc2c(oc3ccc(Cl)cc32)c(=O)n1C[C@@H]1CCCO1 2461982 AGYVPIAEFJPFBJ-JTQLQIEISA-N 350.827 3.697 0 1 FHAF O=C(Nc1ccc2c(c1)c1ccccc1n2[C@@H]1CCOC1)N1CCOCC1 27103434 ABHPYCROGZZOEB-MRXNPFEDSA-N 365.433 3.620 0 1 FHAF CCC(CC)CN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1 66148389 DOJPIXGZWICHNA-HNNXBMFYSA-N 370.896 3.875 0 1 FHAF Cn1ccnc1Sc1cc(C(=O)Nc2cccc(F)c2)c(N)cc1F 28871957 QOJQPZDLWHNZMU-UHFFFAOYSA-N 360.389 3.684 0 1 FHAF CCCN(Cc1ccc(C(=O)O)cc1OC)c1ccc(C(C)=O)c(O)c1 27977844 ZPBRIFYKSDTTON-UHFFFAOYSA-N 357.406 3.718 0 1 FHAF COC(=O)C[C@@H]1C(=O)O[C@@H]2O[C@H](C)C(=C[C@@]3(C)CCCC(C)(C)C3)[C@@H]21 2356734418 NBWPFZAKGLLNHV-GKJAQZOUSA-N 350.455 3.616 0 1 FHAF CC(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)Nc2ccccc2)cc1 61898224 MJAZVDKGNBLKOQ-QFIPXVFZSA-N 350.462 3.982 0 3 FHAF COc1cc2c(cc1OC)[C@H]1C(=O)c3cc4ccoc4cc3O[C@H]1CO2 15203335 QDVCTVPRLKNDMC-RBUKOAKNSA-N 352.342 3.570 0 1 FHAF biogenic Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)OCCO4)s2)cc1 43014437 WCJTUTNQIYSALM-UHFFFAOYSA-N 353.403 3.537 0 1 FHAF NC(=O)C[S@](=O)Cc1ccccc1Oc1cccc(Cl)c1Cl 84713268 MONHUHGJOJNMFG-QFIPXVFZSA-N 358.246 3.520 0 1 FHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCF)[C@@H](c1ccc(Br)cc1)C2 253665683 LEEXJBMYTWENTA-FZKCQIBNSA-N 370.262 3.528 0 1 FHAF O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc(F)cc1 299870101 VVPWLARQAKUWAS-UHFFFAOYSA-N 352.413 3.524 0 1 FHAF Cc1n[nH]c(=Nc2ccc3c(c2)ncn3C2CCOCC2)c2ccccc12 473103982 NLZLKDDUAWPGME-UHFFFAOYSA-N 359.433 3.805 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(N)CC(C)(C)C2)N1 587743735 FJILIUUUMSOIEL-BTDLBPIBSA-N 353.279 3.980 0 1 FHAF CS(=O)(=O)c1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531218 JSCINQPULNQYSI-SFHVURJKSA-N 356.443 3.675 0 1 FHAF CN(C)CCOc1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587080258 LPROSUPLLGYTPC-GOSISDBHSA-N 357.841 3.833 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)CN(Cc3ccccc3)C1)O2 587396901 WVIIASLRYOMNHH-KSFYIVLOSA-N 350.462 3.823 0 1 FHAF O=Cc1cc(Br)cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 586982760 PQJSSGSNRBVFMX-UHFFFAOYSA-N 371.116 3.565 0 1 FHAF COc1cc2c3c(c1)O[C@H]([C@H](C)Cc1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587427332 SOLSRHBYTHXTQR-VNBSIWGGSA-N 356.393 3.838 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[C@@H](C2)C3=O 587436030 MHWRRQVJLHGARG-QOKQMOMRSA-N 373.449 3.601 0 1 FHAF CN1[C@H]2CC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336193 JMSQRVYZFKBNJZ-FTRWYGJKSA-N 367.420 3.886 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(CCO)cc2[nH]1 587236104 ZLISGRNNLLESIR-HUUCEWRRSA-N 359.470 3.649 0 1 FHAF Cc1ccc2nc(C)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2c1 587652360 PXQAQQUWXXFFQO-UHFFFAOYSA-N 363.804 3.903 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2cnn(C)c2)C1(C)C 587480995 XIGYMLJNRZUKNO-HRAATJIYSA-N 354.450 3.996 0 1 FHAF COC(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC 587352306 WWIFMYIDYIRGQW-QUCCMNQESA-N 360.381 3.658 0 1 FHAF COc1cc2c3c(c1)O[C@H](CCc1cncc(Br)c1)[C@@H](C2)C3=O 587419782 ZNRWPWIDFXPQLR-HUUCEWRRSA-N 374.234 3.602 0 1 FHAF C[C@@H](O)c1ncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)s1 587022250 PENGTZVZOHVUAQ-SCSAIBSYSA-N 359.636 3.551 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(Cl)ncn1 587655483 JQVOKBDHMGFWHT-UHFFFAOYSA-N 370.746 3.774 0 1 FHAF CCn1ccnc1[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432347 WMPDTPBVWISUOF-VGOFRKELSA-N 360.413 3.603 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 586915737 HCLZXRJVUIFENB-SZNDQCEHSA-N 364.401 3.551 0 1 FHAF C[C@]1(c2ccnc(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336282 JVDMYPOGKZAFRY-PZJWPPBQSA-N 365.360 3.906 0 1 FHAF COC(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 587134440 LNDPVVHONZURLL-GORDUTHDSA-N 369.249 3.610 0 1 FHAF COc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1F 587169165 WHOZKSZSRUTPKB-UHFFFAOYSA-N 367.359 3.975 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 962956911 ZBGTWFQYFAFOJZ-FATZIPQQSA-N 373.456 3.754 0 1 FHAF COc1ccc([C@H]2c3ccsc3CCN2Cc2cccnc2)nc1OC 963000069 UKBSGSPFFHKKNY-LJQANCHMSA-N 367.474 3.703 0 1 FHAF COc1ccc2c(c1)[C@@H](c1cc(C)ccc1OCC(=O)O)N(C(C)C)CC2 962087254 DEDXCNDTKSWKMU-QFIPXVFZSA-N 369.461 3.823 0 1 FHAF C[S@@](=O)CCCCNC(=S)Sc1ccc(Br)cc1 1857649509 VBNDGFRFQJIDAI-GOSISDBHSA-N 366.371 3.574 0 1 FHAF O=C(O)c1ccnc(-n2nccc2O[C@@H]2CCCc3cc(F)ccc32)c1 146622043 QKDSOTUHFJKBQW-MRXNPFEDSA-N 353.353 3.561 0 1 FHAF Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCCCC3)o2)cc1 5042450 PJDIAMGQJPDHPD-UHFFFAOYSA-N 361.463 3.578 0 3 FHAF CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@H]4C[C@@]5(CCC[C@H](C)O5)NC(=N2)N43)O1 13393263 LZFGLWWNBKSJRY-TUHKJITRSA-N 359.514 3.699 0 1 FHAF COc1ccc(C2=NNC(=O)[C@H]3CCCC[C@@H]23)c2c1OC1(CCCC1)C2 13474145 JFIPQLSQEHFZKL-HIFRSBDPSA-N 354.450 3.583 0 1 FHAF CCCc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2cc(F)c(F)cc2C1 168215130 HCLWVZVGWADYDV-UHFFFAOYSA-N 373.399 3.578 0 1 FHAF CCC1=NC[C@H](c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)N1 1857611083 UKQXHIQJJOSOSE-GOSISDBHSA-N 367.474 3.640 0 1 FHAF CC(=O)[C@]12CCC(C)=CC[C@@]13CC[C@H]2[C@](C)(C=CC=C(C)C(=O)O)OC3=O 2356381581 RLMSZFYLXGZYPL-MQGJPIDWSA-N 372.461 3.991 0 1 FHAF CCC(=O)c1ccc(OC[C@H](O)CNCCc2ccc(Cl)cc2)cc1 6788784 ZSBFVJLQGRKZBT-GOSISDBHSA-N 361.869 3.505 0 3 FHAF Cc1ncc(CO)c(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)c1O 6900483 QIECSYCJUIWZPU-UHFFFAOYSA-N 360.417 3.743 0 3 FHAF CC1=C(Sc2ccccc2)[C@@H](COCc2ccccc2)C(=O)NC1=O 102808781 IBGMUXKZVYLFNC-QGZVFWFLSA-N 353.443 3.542 0 1 FHAF Oc1cccc2c1C[C@H]1CCCN(C/C=C/I)[C@H]1C2 27413663 VLADFNAJLNALFZ-MZVYLTKDSA-N 369.246 3.520 0 1 FHAF O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCCC[C@@H]1O 103205806 JSGSCRWSGFLCOR-STQMWFEESA-N 371.808 3.794 0 1 FHAF CC(C)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccc(Cl)cc1c2=O 61949383 VGBIPCXUCPJYKM-INIZCTEOSA-N 367.836 3.870 0 3 FHAF CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccccc1O 64633913 MDMKUZHQBROCGI-INIZCTEOSA-N 354.406 3.697 0 1 FHAF Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(N)CC3)cc12 114710640 XOPYLUSZNHKLIQ-UHFFFAOYSA-N 360.527 3.911 0 1 FHAF CC[C@@H](C)Nc1nccc(-c2nn3c(c2-c2ccc(F)cc2)OCC3)n1 28369473 DPPNDSAJZYDEBN-GFCCVEGCSA-N 353.401 3.749 0 1 FHAF CC(=CCO)[C@@H]1O[C@@H]2C(C)=C[C@](C)(C=CC(=O)O)[C@@H]3C(C)=C[C@@]1(C)[C@@]23C 2356517351 HCHYEJZGKDRAGI-ZOJFBHTKSA-N 358.478 3.888 0 1 FHAF COc1cc2c(c3c1C(=O)[C@@H](O)[C@H](c1ccccc1)O3)C=CC(C)(C)O2 2356532643 RUDILYVZCUZXBH-MOPGFXCFSA-N 352.386 3.557 0 1 FHAF C[C@H](CCCC(=O)Nc1ccc(C(F)(F)F)cc1)NCCc1c[nH]cn1 26187466 BCZAHYKUHLEQBO-CYBMUJFWSA-N 368.403 3.758 0 1 FHAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)C=C3[C@@H]2[C@@H]1CC[C@@H]3[C@]1(C)CCCC(C)(C)C1 2356737008 JKXKYNJCCPSFNH-LHXUKGPFSA-N 362.466 3.964 0 1 FHAF Cn1cccc1-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12 72170839 HVGWWTXWNYWBSM-UHFFFAOYSA-N 363.442 3.888 0 1 FHAF CO[C@@H]1C(=O)c2c(cc3c(c2O)C=CC(C)(C)O3)O[C@H]1c1ccccc1O 13380050 SHVNMDGYHQHAIC-VQTJNVASSA-N 368.385 3.613 0 1 FHAF biogenic COc1cc(C)c(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(OC)c1 45484165 LMJYQQWNJXNUES-UHFFFAOYSA-N 367.453 3.698 0 1 FHAF COc1cccc(-c2cc(NC(=O)CCCCN3CCCCC3)n[nH]2)c1 84740598 VAEUZWBERFNXLX-UHFFFAOYSA-N 356.470 3.680 0 1 FHAF COC(=O)/C1=C\CC[C@@H]2O[C@H]2CC/C(C(=O)OC)=C\C=C(/C(C)C)CC1 40893670 NJAATXWPYRPTPP-SQGRWJHQSA-N 362.466 3.889 0 1 FHAF Cn1cnc2c(NC(C)(C)C)nc(Nc3ccc4ncsc4c3)nc21 43061944 ILWBVRYQNMSUSZ-UHFFFAOYSA-N 353.455 3.927 0 1 FHAF CC(C)CNc1ncnc2c1nc(-c1ccccc1)n2C[C@@H]1CCCO1 82177770 DKBUKEBSHIYVAI-INIZCTEOSA-N 351.454 3.740 0 1 FHAF COc1cc(Cl)ccc1O[C@H](c1ccccc1F)[C@@H]1CNCCO1 89465205 LHOSACAWSLTLQJ-ZWKOTPCHSA-N 351.805 3.596 0 1 FHAF in-vitro COc1cc2c(cc1OC)[C@@H]1C[C@H](NCCF)[C@@H](CC(C)C)CN1CC2 96308874 YMERYCTWSIREBR-WDSOQIARSA-N 364.505 3.597 0 1 FHAF CC[C@@H](O)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1cccc(F)c1 299851129 YTAIQPBOMZUBRC-QGZVFWFLSA-N 354.381 3.825 0 1 FHAF C[C@H](Oc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)O 653903410 VIEUZDVSCRVEST-LBPRGKRZSA-N 362.813 3.556 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@@H](C(=O)O)C3 586989591 CBOMJEKGFYFXLS-LLVKDONJSA-N 359.381 3.731 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC(F)(F)F)c1O)O2 587383642 UKXKQVSGUZJRFY-AWEZNQCLSA-N 353.296 3.888 0 1 FHAF COC(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587659876 HNUAGQZHSHTWRC-UHFFFAOYSA-N 374.371 3.978 0 1 FHAF c1cncc(-c2noc(SCc3nc4ccc5ncccc5c4[nH]3)n2)c1 586966999 OPONTJRDZVPUPQ-UHFFFAOYSA-N 360.402 3.848 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(O)ccc2N)N1 587746914 IWOLKMSTGZHZKH-XYZCENFISA-N 365.246 3.674 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(CC3CC3)CC2)N1 587768732 MIZDTJYYZISUPQ-LBPRGKRZSA-N 367.306 3.824 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2occc2C(=O)O)N1 587828511 NXQNSSFDBGCYTI-FUXBKTLASA-N 354.175 3.503 0 1 FHAF C=CC(=O)Nc1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 587245021 VHIAXJGCDLKLJQ-UHFFFAOYSA-N 358.195 3.823 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CC[C@H]3CC[C@H]2N3)[C@H]1c1ccc(F)cc1 587353438 ZGPGMWQREAVGAJ-ZATISSGFSA-N 353.393 3.543 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)O[C@@H](C)c1ccccc1)[C@@H](C2)C3=O 587437872 ASXJJLKNRJYJSJ-YOKWENHESA-N 366.413 3.896 0 1 FHAF O=C(/C=C/c1nc2cc(Br)cnc2[nH]1)Nc1ccc(F)cc1 587167392 SFQCPUAAGUUWMT-AATRIKPKSA-N 361.174 3.511 0 1 FHAF Cc1cc(C)c([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587531344 ZCULCSDPQXYWFM-QHCPKHFHSA-N 366.457 3.662 0 1 FHAF CCCc1ccc([C@]2(CCC(=O)O)NCCc3c(C(=O)O)cccc32)cc1 963125777 UNKLVFDLLHRRTB-QFIPXVFZSA-N 367.445 3.591 0 1 FHAF Cc1cccc(N[C@H](NC(=O)c2cccnc2)C(Cl)(Cl)Cl)c1 973364 IKRADFMZHVFMPG-CQSZACIVSA-N 358.656 3.928 0 3 FHAF C[C@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356415639 QTNGLMWAVBOBLJ-NWIPLLMYSA-N 363.586 3.927 0 1 FHAF C[C@@]12C[C@](C)(c3ccoc3)OC(=O)[C@H]1CC[C@@]13COC(=O)C1=CC=C[C@H]32 2356416762 FNXLHOABSOYWTJ-SCVKGHGVSA-N 354.402 3.514 0 1 FHAF CO[C@@H]1C[C@H](CC[C@@]2(C)[C@@H]3CCC=C(CO)[C@@]3(CO)CC[C@H]2C)CO1 2356427568 FECFLNMGJZPFNI-QCZDDFMUSA-N 352.515 3.519 0 1 FHAF Cc1ccc(/C=C2\CNCC3=C2NC(=S)N[C@H]3c2ccc(C)cc2)cc1 101679938 KTONFTMVDHRYIE-OBXYEHHASA-N 361.514 3.763 0 1 FHAF CN1CCC(n2[nH]cc3nc(-c4ccccc4OC4CCCC4)nc2-3)CC1 103587785 IWXWBWLVKNEHHY-UHFFFAOYSA-N 365.481 3.966 0 1 FHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)C[C@@]4(C)[C@@H]3CC[C@]12C 29405085 BVTWUBQLAWUICA-QTUCHGCSSA-N 374.569 3.944 0 1 FHAF COc1cc([C@@H]2CN=C(c3cccc4ccn(C)c34)O2)cc(OC)c1OC 27523394 PDQHLXLGXUMLGI-SFHVURJKSA-N 366.417 3.722 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4C5=C(CC[C@@]4(C)[C@H]2CC[C@@H]1C3)OCC5 29207528 PFBDJHPYAAHUPA-TWWDWCARSA-N 360.494 3.972 0 1 FHAF C[C@]12C[C@@H]3OC(=O)[C@]4(C)CCC[C@](C)([C@@H]1CC[C@](C)(C=CC(=O)O)O2)[C@H]34 2356493139 KBJSYEBTIXTTDP-JZKXPCLYSA-N 362.466 3.713 0 1 FHAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCCOC)[C@H](O)C[C@H]1O 2356564612 VWEVSUSNDAHANL-ALGQRKQJSA-N 354.531 3.605 0 1 FHAF CC(=O)Nc1ccc(Br)cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 29044616 QIMCTLWLYCUACW-PHIMTYICSA-N 353.260 3.526 0 1 FHAF COC(=O)[C@@H]1C[C@@]23C4=NC[C@H](C)[C@@]45CC[C@@]2(C)[C@@H](CCC2=C3[C@@H]1CC2)[C@H]5O 2356726530 XGNHYBVLNTWPIF-DFDIYXMJSA-N 369.505 3.534 0 1 FHAF Cc1oc2cc(OC[C@@H](O)CNC(C)C)ccc2c(=O)c1-c1ccccc1 27102929 UFSGBUWOKZMELZ-KRWDZBQOSA-N 367.445 3.506 0 1 FHAF CC(C)NC(=O)C[C@@]1(C)N=C(c2ccc(-c3ccccc3)cc2)N(C)O1 74374626 NWDSWKBJYJLULS-NRFANRHFSA-N 351.450 3.608 0 3 FHAF COc1ccc(-c2ccc3c(c2)N(CC2CC2)C(=O)COC3)cc1OC 74375874 VRYMOCBRWNVRAL-UHFFFAOYSA-N 353.418 3.644 0 3 FHAF CCCN1CCc2cccc3c2[C@H]1Cc1ccc(NS(C)(=O)=O)cc1-3 1911582460 AMDADTMHUSETIS-LJQANCHMSA-N 356.491 3.590 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H]2C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O2 40465058 QVNXPVRCJMCIQT-MBUAPFDOSA-N 350.499 3.913 0 1 FHAF O=C(Nc1ccccc1)Nc1ccc(F)c(OCCCN2CCOCC2)c1 43014718 BGWPDCGJAOOMJL-UHFFFAOYSA-N 373.428 3.571 0 1 FHAF CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 82134060 LTYXYSKFRBVJSI-HOTGVXAUSA-N 352.482 3.718 0 1 FHAF COc1ccc(C)c2sc(NS(=O)(=O)c3ccc(F)cc3F)nc12 84688774 DPVRELLYDMDPTI-UHFFFAOYSA-N 370.402 3.692 0 1 FHAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2csc(C)n2)nc1 149954218 NXLDNCSPMSJZLL-HIFRSBDPSA-N 368.462 3.803 0 1 FHAF O=C(OCCCF)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(Br)cc1)N2 261099824 GBXCFQBRUJWAGV-JONQDZQNSA-N 370.262 3.576 0 1 FHAF O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1cccnc1 261182797 WLFQOPQYLRZZPY-UHFFFAOYSA-N 367.405 3.843 0 1 FHAF NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(C(F)(F)F)cc1 653711602 WTVOQTHARGMOJR-KRWDZBQOSA-N 359.351 3.935 0 1 FHAF Cc1nc(O)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609828 DQGWWPRDXYFXCA-AUUYWEPGSA-N 369.398 3.740 0 1 FHAF NC(=O)c1nc(-c2ccccc2)oc1-n1nc2cc1Oc1ccc(F)cc1-2 587875529 PWKFAQIGXQTMMT-UHFFFAOYSA-N 362.320 3.538 0 1 FHAF C/C(=C\[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)NC1CC1 587739533 AMHMWLPNQZBXDJ-SHIHGYNVSA-N 353.279 3.993 0 1 FHAF C[C@H](F)[C@H](N)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587123436 JPHPZFBZLVXUBJ-NVNXEXLPSA-N 356.117 3.582 0 1 FHAF Cn1nc(C2CC2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580439 HZXZARNKSGIPET-GHTZIAJQSA-N 362.385 3.706 0 1 FHAF COc1cccc(C(=O)c2ccc(-c3nc4cc(CO)ccc4[nH]3)cc2)c1 587932092 LUPUFYOPRBQPOH-UHFFFAOYSA-N 358.397 3.962 0 1 FHAF CC(C)COC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587788888 AIWNSPRYKLPLFO-GTNSWQLSSA-N 372.278 3.927 0 1 FHAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccccc1Cl 587638867 RRQGGVIOQXVDGA-UHFFFAOYSA-N 357.749 3.537 0 1 FHAF COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587523434 IWJLSFUIMGQGHL-IBGZPJMESA-N 352.386 3.764 0 1 FHAF CCOC(=O)[C@H](N=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988973 UZVYWMCHZGZORI-GOSISDBHSA-N 362.341 3.522 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccc(OC)cc1 587870753 QQZMXFPLUXCKEJ-UHFFFAOYSA-N 369.396 3.849 0 1 FHAF Cc1nc2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2cc1Br 587156620 OHBRJJNYIYXAQY-HWPZZCPQSA-N 361.218 3.509 0 1 FHAF Cc1nc(COc2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cs1 587020032 CNMIVVNFYANSPE-UHFFFAOYSA-N 357.826 3.969 0 1 FHAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(ccc3ncccc32)[nH]1 587038476 JETMACAGBMUYHS-UHFFFAOYSA-N 368.422 3.977 0 1 FHAF COC(=O)c1cccc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c12 587926644 MPPUWQAAOYGONA-LBPRGKRZSA-N 354.406 3.713 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CCC[C@H]3C2)N1 587793623 RQEKRUFAPZBCOE-ZUCKAHLUSA-N 353.279 3.576 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)cnc2[nH]1)C[C@@H]1CCCO1 587197438 OWJNTJXBTJWCCZ-LBPRGKRZSA-N 366.849 3.527 0 1 FHAF COc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1OC 587079060 GCIZHULHDVKYPB-CYBMUJFWSA-N 370.840 3.957 0 1 FHAF CCOC(=O)[C@]1(c2cc(C)ccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444142 YKWDADFDAPLWQF-VGOFRKELSA-N 366.413 3.518 0 1 FHAF Cc1ccc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587771547 MGSQUOZGSSMOQO-ABKXIKBNSA-N 351.219 3.621 0 1 FHAF C/C(N)=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587706787 RGSIKMSTNKIMLU-CLBQOLQOSA-N 367.184 3.743 0 1 FHAF O=C(O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O 150106181 IXKAZSBNONFTIV-HNNXBMFYSA-N 360.772 3.502 0 1 FHAF Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C(F)(F)F)cc2c1 891944 PZPCSPPNCBWISA-UHFFFAOYSA-N 364.323 3.521 0 1 FHAF COc1cc([C@H](O)[C@@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)cc(O)c1OC 2356395982 ZNOVVYJXQWKCSW-KQHSUYLTSA-N 374.433 3.686 0 1 FHAF COc1cccc(CO[C@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(C)=O)c1 66156571 AJPWQTJSSAKUPS-BHIFYINESA-N 368.429 3.840 0 1 FHAF Cc1cc(-c2cccc(F)c2)ncc1[C@@H]1CCCN1C(=O)c1cnccn1 72176015 MPHZGUFVXAWBHR-FQEVSTJZSA-N 362.408 3.963 0 1 FHAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC[C@@H](C)C3)c(Cl)c21 1911581440 ZJHNLQLEEPKVTF-SNVBAGLBSA-N 366.820 3.748 0 1 FHAF NC(=O)C[S@@](=O)Cc1ccccc1Oc1cccc(Cl)c1Cl 84713271 MONHUHGJOJNMFG-JOCHJYFZSA-N 358.246 3.520 0 1 FHAF O=C(OC1[C@H]2CC3C[C@H]1CC(C(=O)O)(C3)C2)N1CCC[C@H]1c1ccccn1 147409381 HRPDBTGVJKRXKO-GVTUBGMASA-N 370.449 3.635 0 1 FHAF C[C@]12CC[C@@H](O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 256447844 UVVGWNHIKZRQLP-ZSMYUXGJSA-N 372.505 3.524 0 1 FHAF Cc1cc(F)c2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 587193472 BBFLGLQHELTUGO-ZDUSSCGKSA-N 350.438 3.528 0 1 FHAF C[C@@]1(Cn2cnc3ccccc3c2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587518250 DIVCGSGBFZBGOY-QHCPKHFHSA-N 374.440 3.699 0 1 FHAF N[C@@]1(c2nc3ccc(Br)c(O)c3[nH]2)C[C@@H]1c1ccccc1F 587158795 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COc1ccc2c(c1OC)[C@](C)(c1ccc3nn(C)cc3c1)N(C)[C@@H](C)C2 962617199 BUJZJAQEVARTMI-FPTDNZKUSA-N 365.477 3.730 0 1 FHAF COc1ccc2c(c1OC)[C@H](c1cccn1C1CC1)NCC21CCOCC1 963183438 DYSZUQBADMPZCW-FQEVSTJZSA-N 368.477 3.581 0 1 FHAF Cc1c(O)ccc2c1[C@H](c1ccc3ccnc(Cl)c3c1)N[C@H](C(=O)O)C2 963526280 OHBLWHIJEZGYCM-YJBOKZPZSA-N 368.820 3.591 0 1 FHAF Cc1cc2c(cc1F)[C@](C)(CC(=O)NCCCc1ccccc1)NCC2 962370932 FNTYJOHODSAQHR-QFIPXVFZSA-N 354.469 3.634 0 1 FHAF COc1cnc2c(c1)[C@@]1(CCC2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962566923 JLNPDECBOODWOO-PEBXRYMYSA-N 368.477 3.564 0 1 FHAF Cc1ccc2cc(CCNC(=O)c3cc4ccccc4o3)c(=O)[nH]c2c1C 13878704 BQQVEQZOLNMYIA-UHFFFAOYSA-N 360.413 3.864 0 3 FHAF CN(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc12 1857599515 OTYKACTVOCREFB-UHFFFAOYSA-N 353.853 3.847 0 1 FHAF CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@H]1/C(=C\OC)C(=O)OC 105090626 NMLUOJBSAYAYEM-ATFUNYTMSA-N 368.477 3.817 0 1 FHAF C[C@]1(C(=O)NCCc2ccc(F)cc2)CON=C1c1cccc(Cl)c1 772115 RVRPYUGIGSYOPI-IBGZPJMESA-N 360.816 3.579 0 1 FHAF CCCCO[C@H]1CCC[C@@H](C)OC(=O)c2c(O)cc(O)cc2CC(=O)C1 2356323084 HUNPRLTYJQUZDJ-DYVFJYSZSA-N 364.438 3.514 0 1 FHAF CNC(=S)C1=CC(C)(C)Oc2ccc(S(=O)(=O)c3ccccc3)cc21 29400482 LWYNLNDYTYNIIV-UHFFFAOYSA-N 373.499 3.621 0 1 FHAF FC(F)(F)c1ccccc1Cn1[nH]cc2nc(C3CCOCC3)nc1-2 20363418 HITDOUXKKMBPJH-UHFFFAOYSA-N 350.344 3.672 0 1 FHAF CC[C@H]1CC[C@@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@@H]2C1 28524136 GFCJYZOTVBIKKT-DETPVDSQSA-N 370.474 3.976 0 1 FHAF COc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@@H]1CC2 117448998 JOMXVEJVUKFCMM-LAUBAEHRSA-N 361.445 3.906 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc([C@@H](C)N(C)C)cc1)C2 28124588 RHJZVHBZRMYJOI-XCLFUZPHSA-N 355.434 3.513 0 1 FHAF CCCCNC(=O)[C@]1(C)CCN1C(=O)c1cc(-c2cccs2)oc1C 61905883 WEBQZQDUPPPGQB-IBGZPJMESA-N 360.479 3.837 0 3 FHAF CC(C)N(CC[C@](Cc1ccccc1)(C(N)=O)c1ccccn1)C(C)C 27521893 VDJQHPRIIYGESP-JOCHJYFZSA-N 353.510 3.556 0 1 FHAF CCCCNCC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccc(C)cc1 28220114 IQRVCTUMLBFZFF-HXUWFJFHSA-N 365.521 3.901 0 1 FHAF CC(=O)O[C@@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@@]3(O)C=C(C)CCC[C@@]21C 2356519348 XQNCZSAVXBHWSC-TZEULACYSA-N 374.477 3.973 0 1 FHAF CN1C[C@H]2CC[C@H]3[C@]2(C1)[C@H](O)C[C@@H]1[C@@]2(C)CC[C@H](N(C)C)CC2=CC[C@]13C 2356731752 XWPOTGXOZVRQJB-HSRQBXTBSA-N 372.597 3.782 0 1 FHAF O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 32497791 OWXDBPZBDLDRNS-UHFFFAOYSA-N 370.405 3.879 0 1 FHAF CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2ncccc21 73141111 GTLXWZAAYSXVAK-AWEZNQCLSA-N 352.419 3.836 0 1 FHAF COc1ccc(C(=O)N2c3ccccc3S(=O)(=O)c3ccccc32)cc1 72107398 XVEAINLZBLTSCA-UHFFFAOYSA-N 365.410 3.820 0 1 FHAF CC(C)N(CC[C@@](CCN1CCCCC1)(C(N)=O)c1ccccc1)C(C)C 39254132 WXJSTNMSFVGACB-HSZRJFAPSA-N 373.585 3.795 0 1 FHAF Cc1cccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)c1 74377927 NPVJUHMKSVXSRB-CZUORRHYSA-N 358.800 3.663 0 3 FHAF CCCN1C(=O)Cc2cc(OC)ccc2[C@@H]1COc1ccc(OC)cc1 1911583583 QSDSAAGLZGRQOF-FQEVSTJZSA-N 355.434 3.619 0 1 FHAF COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NCC32CC2)cc1 72108507 UIYTURGPTUSRBA-UHFFFAOYSA-N 371.440 3.626 0 1 FHAF CCOC(=O)c1cc(COc2ccnc3c(C(F)(F)F)cccc23)on1 40980516 FQBJWJKKGMVAJN-UHFFFAOYSA-N 366.295 3.997 0 1 FHAF COc1ccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1OC 587212969 DGAFELGRADLDHY-QGZVFWFLSA-N 359.425 3.998 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(F)ccc2F)N1 587738175 KYEJXQXKHOUKQG-NXSYQRQQSA-N 357.173 3.885 0 1 FHAF NC(=O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077795 XZSPDWFOCOCEGS-KRWDZBQOSA-N 354.841 3.652 0 1 FHAF Cc1cnn(CCF)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587714038 FJPDSYSGXVUYBX-BONVTDFDSA-N 370.241 3.686 0 1 FHAF CC1=C(c2ccc3[nH]c(-c4ccc(Cl)c(Cl)n4)nc3c2)NNC(=O)C1 587084161 IEDZJFOLYYQALQ-UHFFFAOYSA-N 374.231 3.687 0 1 FHAF N[C@H](Cc1nc2cncc(Br)c2[nH]1)c1ccccc1Cl 587055913 FQWFMSGGKCEXJR-LLVKDONJSA-N 351.635 3.616 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587109817 VSQXIIVPOQBETB-ZDUSSCGKSA-N 364.283 3.671 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OC)OCO3)CC2=O 587491597 OFWOFOBKHNZPIV-QGZVFWFLSA-N 356.374 3.789 0 1 FHAF COc1cc(OC)c2[nH]c(-c3cc(Br)cnc3F)nc2c1 587177835 BOMDTTDJYMIKGM-UHFFFAOYSA-N 352.163 3.544 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)c(Cl)c2)N1 587700005 UEJHGAOSXPEAOZ-NXSYQRQQSA-N 371.637 3.966 0 1 FHAF C[C@H](CC(=O)O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356053 YWAAWYJHWRSDJB-RTXGADQUSA-N 358.365 3.760 0 1 FHAF COc1c(C=O)cc(C)cc1[C@@H]1NCCc2cc3cccc(OC)c3nc21 963049876 BMSCJYMWOGGCEK-NRFANRHFSA-N 362.429 3.608 0 1 FHAF CC(C)[C@H](NC(=O)/C=C/c1ccccc1)NC(=S)NC1CCCCC1 1772655486 FAUDWGFVLSMWRF-JKIKYLSZSA-N 359.539 3.595 0 1 FHAF Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(Cc3cc(C(C)C)n[nH]3)C2)n1 1772586373 UUDIYABFMNMWRN-INIZCTEOSA-N 364.497 3.627 0 1 FHAF COc1cccc(-c2ncc(C(=O)N(C)Cc3cccc(O)c3)s2)c1F 169351572 QEJAOYWVVVBNED-UHFFFAOYSA-N 372.421 3.936 0 1 FHAF FC(F)(F)COc1ncncc1-c1cccc2c(-c3cnccn3)noc12 205212727 KECLLAMWOPXTIM-UHFFFAOYSA-N 373.294 3.683 0 1 FHAF C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3cn[nH]c3)nc21 1857591046 BGXSSKLFXBBSHD-NSHDSACASA-N 359.368 3.513 0 1 FHAF CCOC(=O)CCCC(=O)Nc1cc(Nc2cccc(Cl)c2)ncn1 1857649290 IWKOLMIPDOEQSK-UHFFFAOYSA-N 362.817 3.546 0 1 FHAF Cc1cc(F)ccc1-n1cc(COc2ccc3c(C)cc(=O)oc3c2)nn1 1857746347 FFMZHNOVHJXITN-UHFFFAOYSA-N 365.364 3.709 0 1 FHAF Cc1nc2ccccc2nc1CC(=O)C(=O)Nc1ccc(Cl)cc1Cl 1630111 DQNSLYSYXXCZHL-UHFFFAOYSA-N 374.227 3.995 0 1 FHAF O=C(Oc1ccccc1)N1CCC2(CCCN(c3ccncc3)C2)CC1 3956053 RGUDZQVBCVXLGZ-UHFFFAOYSA-N 351.450 3.963 0 1 FHAF Fc1ccc(/C=C2\COCC3=C2NC(=S)N[C@H]3c2ccc(F)cc2)cc1 6535125 WVZGCXLOPNABJQ-MXHVWWQHSA-N 370.424 3.852 0 1 FHAF CC(=CCO)[C@@H]1O[C@@H]2C(C)=C[C@](C)(C=CC(=O)O)[C@@H]3C(C)=C[C@]1(C)[C@]23C 2356517348 HCHYEJZGKDRAGI-GVUKCBQMSA-N 358.478 3.888 0 1 FHAF C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1CCOc1ccccc1 61898758 UOTWFJDZWBUBLO-QFIPXVFZSA-N 361.445 3.717 0 3 FHAF COC[C@@H]1CCCN1C[C@@H]1C=C(C)[C@@H](Cc2nnc(C)o2)C[C@@H]1C(C)C 2356813160 CDWQTSRACBCRAW-FUMNGEBKSA-N 361.530 3.886 0 1 FHAF O[C@@H](COc1cccc(-c2ccccn2)c1)CN1CCc2ccccc2C1 219734652 KAOIYJDGLJQTOT-OAQYLSRUSA-N 360.457 3.547 0 1 FHAF CCc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1 1911581078 FOJCTEWHNSDNHH-RBUKOAKNSA-N 354.446 3.841 0 1 FHAF O=S(=O)(c1cccc(Cl)c1)c1cn([C@H]2CCNC2)c2ccccc12 49114513 IYJZDLOAWKCXJN-AWEZNQCLSA-N 360.866 3.662 0 1 FHAF O=C(N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1ccc(F)cc1 199358165 SEKUJOOVYZEKCD-SFHVURJKSA-N 374.843 3.790 0 3 FHAF C[C@@H](NCCN)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 141873125 DSYATMXSWLOIRO-RGEHTICMSA-N 362.602 3.943 0 1 FHAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)no1 143524661 GDISNQGQVSLPNH-HNNXBMFYSA-N 355.438 3.606 0 1 FHAF CC(C)=CC[C@H](O)[C@H](C)CCC/C(C)=C/CC[C@@H](C)C[C@@H](O)[C@@H](N)CO 261516003 ASNURABVVXFZSH-XANSXASBSA-N 369.590 3.943 0 1 FHAF in-vitro CCCCCC(=O)Oc1cccc(N=c2[nH]c3ccccc3c(=O)o2)c1 2382216133 SUJNNNSEXXGLJX-UHFFFAOYSA-N 352.390 3.839 0 1 FHAF CCOc1nn(-c2ccc(C(C)(C)O)cn2)c(C)c1Cc1ccccc1 473106501 XLXCNQMMZZWQJJ-UHFFFAOYSA-N 351.450 3.793 0 1 FHAF CCS(=O)(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587139130 XBVPVYSMSKUFEC-UHFFFAOYSA-N 368.380 3.559 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2[nH]ccc12 587586068 BAQLTIZMXSFXFQ-XLIONFOSSA-N 358.353 3.971 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc([C@@H](C)O)s2)N1 587852763 IOUNYZIVLIYBOU-WGZSSWNPSA-N 371.275 3.722 0 1 FHAF COc1ccc(/C=C/Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c(OC)c1 587929041 KNGDOQCEPAMUJA-ONEGZZNKSA-N 356.353 3.673 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1oc4nc(C)cc(C)c4c1N)[C@@H](C2)C3=O 587431801 GUQFIXVIEDFACH-YEJXKQKISA-N 364.401 3.698 0 1 FHAF COC(=O)c1cccc2nc(C/C=C/c3ccc(OC)cc3OC)[nH]c12 587928619 GFASQMKYGGBGBB-GQCTYLIASA-N 352.390 3.623 0 1 FHAF CC(C)c1cc(OC(C)(C)C)n(-c2c[nH]cc(Br)c2=O)c1O 587942389 XMIUEIDWKGOGPR-UHFFFAOYSA-N 369.259 3.934 0 1 FHAF N[C@@H](Cc1cccc(Br)c1)c1nc2cncc(Cl)c2[nH]1 586984474 QRPCOMIJADVTSZ-NSHDSACASA-N 351.635 3.616 0 1 FHAF COC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cn1 587245827 ZDKZTLSXHVHXNN-UHFFFAOYSA-N 354.263 3.961 0 1 FHAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccnc3[nH]2)c(C2CC2)n1 587231911 HPYYQOBJKSOVLF-UHFFFAOYSA-N 365.437 3.922 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(OC(C)=O)c(C)c1)[C@@H](C2)C3=O 587444310 TULAXWWFVNAEEM-HRAATJIYSA-N 352.386 3.726 0 1 FHAF COC(=O)C(C)(C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587803451 AQRVAPFKTBFXHK-ABKXIKBNSA-N 358.251 3.537 0 1 FHAF Cc1cc(-c2nc3c[nH]c(=N)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145481 XSNHWGLKUCSEIR-UHFFFAOYSA-N 362.364 3.850 0 1 FHAF CCn1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587764175 OQRGSYPFUTWTEW-FVMDXXJSSA-N 352.251 3.737 0 1 FHAF O=S(=O)(/C=C/c1nc2ccc(Br)cc2[nH]1)c1ccccc1 586926962 SBKALOLLYXCJMW-CMDGGOBGSA-N 363.236 3.770 0 1 FHAF Cc1ccc(-n2ccnc2SCc2nc3ccnc(O)c3[nH]2)c(C)c1 586966407 MMZVFGZVFWJQRK-UHFFFAOYSA-N 351.435 3.758 0 1 FHAF COc1ccc(C)c2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522376 FOBACNHJANIREZ-QFIPXVFZSA-N 363.413 3.695 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(C)c1 587867312 AZTBVCQXGNRGMU-UHFFFAOYSA-N 361.323 3.969 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CCC[C@H]3C2)N1 587794443 VALIJQPIOJPIGK-BTJLNZGRSA-N 353.279 3.576 0 1 FHAF Cc1nc(-c2cccnc2)sc1[C@@H]1NCCc2c1c(C(C)C)nn2C 962924004 ZWAQEBBPCYRJIW-QGZVFWFLSA-N 353.495 3.606 0 1 FHAF O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1CCOc2ncccc21 205619102 UAJVLAUYNLOPNG-ZDUSSCGKSA-N 351.233 3.613 0 1 FHAF COc1ccc(C)cc1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772621109 QNNPICDUSRFWOB-QGZVFWFLSA-N 352.390 3.969 0 1 FHAF C[C@@H](CC(=O)O)c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 13407815 MRVZBYVLLGHZED-GARJFASQSA-N 360.406 3.754 0 1 FHAF biogenic,in-vitro CC(C)Oc1ccnc(C[S@@](=O)c2nc3cscc3[nH]2)c1Cl 13448642 RQVIYEQFPQNVJF-QFIPXVFZSA-N 355.872 3.768 0 1 FHAF CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1cnc2ccccc2c1 169730675 PCKGOMCYVCYQNX-RBUKOAKNSA-N 362.385 3.621 0 1 FHAF CC1=NC[C@H](c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)N1 1857598104 BOTOWVVPMRWZOP-QGZVFWFLSA-N 373.865 3.594 0 1 FHAF O=c1cc(Cc2ccc(-c3ccc(Cl)cc3Cl)cc2)nc(O)n1O 1857774944 JOGJYXTVSSCEKJ-UHFFFAOYSA-N 363.200 3.751 0 1 FHAF O=c1oc(-c2cccs2)nc2ccc(I)cc12 1663531 DLSNVULTCQBYBG-UHFFFAOYSA-N 355.156 3.521 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4212171 MBYMWWBZTIIEEU-DBVUQKKJSA-N 359.514 3.767 0 1 FHAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCO 4213737 MFPAYBFIHNGOKB-IAGOWNOFSA-N 370.852 3.602 0 1 FHAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCNC(=O)c3ccccc3)ccc21 28567893 IQUOQKZCXOOEPP-ICSRJNTNSA-N 367.445 3.636 0 1 FHAF Cc1cccc(NC(=O)Nc2ccc(-c3nn(C)c4ncnc(N)c34)cc2)c1 63539861 CBFGRAMTCIRLOX-UHFFFAOYSA-N 373.420 3.565 0 1 FHAF CC=C(CO)[C@@H]1O[C@@H]2C(C)=C[C@](C)(C=CC(=O)O)[C@@H]3C(C)=C[C@@]1(C)[C@@]23C 2356407231 TUUPJUMTPYTGPG-LUDAKILFSA-N 358.478 3.888 0 1 FHAF COc1ccc(NC(=O)[C@@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)cc1 61906755 UNSYAWLFWYKPRP-IBGZPJMESA-N 364.376 3.839 0 3 FHAF OCCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 22937797 ZTECBXOHIVSPQL-PZJWPPBQSA-N 374.887 3.666 0 1 FHAF Clc1ccccc1-c1cc2nc(NCCCn3ccnc3)ccn2n1 61929129 ZUVIZNIIUHUKKE-UHFFFAOYSA-N 352.829 3.748 0 3 FHAF Cc1cccc(N2CCN(Cc3coc(-c4ccc(O)cc4)n3)CC2)c1C 72186521 PCAKLYVAMLYPSH-UHFFFAOYSA-N 363.461 3.986 0 1 FHAF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc3ccccc23)cc1 45355499 RRGGGBBOZHYRRS-OPAMFIHVSA-N 363.457 3.881 0 1 FHAF C/C=C(/C)[C@H]1O[C@H]2C(C)=C[C@](/C=C/C(=O)O)(CO)[C@H]3C(C)=C[C@]1(C)[C@@]23C 238778300 JBEJQFQKKHSILD-FXRSQJOKSA-N 358.478 3.888 0 1 FHAF CCC(CC)Cc1ccc2c(c1)[C@@]1(COC(N)=N1)C1(COC1)C1(CCC1)O2 149353032 VCGSYVUVMWKNOH-QFIPXVFZSA-N 370.493 3.537 0 1 FHAF CC(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3ccc4ccccc4n3)C2)O1 96019016 AUSIKUNBAQVETB-AVRDEDQJSA-N 366.461 3.758 0 3 FHAF CC(=O)c1cc2c3c(c1C(C)=O)-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 45347661 QBCMSGDOKGQABG-QGZVFWFLSA-N 363.413 3.573 0 1 FHAF biogenic,in-vivo CCCN1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@]12OC(=O)c1ccccc12 653851590 YQIGBBYNOZXIQS-IBGZPJMESA-N 370.792 3.542 0 1 FHAF O=C1C=C2C(c3ccc(Br)cc3)=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 653913894 PJAYNQFKKCNQPO-BJZITVGISA-N 372.262 3.695 0 1 FHAF FC(F)(F)Oc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1 653722458 LRXBGOAWRNIRAZ-SFHVURJKSA-N 367.367 3.865 0 1 FHAF C[C@@H]1CN(C(C)(C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)O1 587511946 AXRLEVHAJNMORU-STXHMFSFSA-N 357.494 3.787 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cc(F)cc(F)c1)O2 587386683 WBWGMRSMTVMAFO-FBQMEGEOSA-N 358.388 3.791 0 1 FHAF Cc1cncc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c12 587258353 IFIAVIYHNZUCSJ-KRWDZBQOSA-N 359.433 3.838 0 1 FHAF FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3CCOC3)[nH]c12 586910735 AFJFUENAIOTAHY-ZCFIWIBFSA-N 351.122 3.728 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ncccc1C)CC2=O 587472206 YZNFYLACIHAECJ-NRFANRHFSA-N 368.433 3.801 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)s2)N1 587845288 DLFRNAUWFYJHJH-UOWDBTKRSA-N 370.243 3.972 0 1 FHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)c(F)cc2[nH]1 587194594 WCJWPSMPJQYBEO-GFCCVEGCSA-N 370.856 3.873 0 1 FHAF COC(=O)c1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587525571 QICALUHXMBQSBO-QFIPXVFZSA-N 366.413 3.938 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(OC)c1OC)[C@@H](C2)C3=O 587421078 RZBILZYCFBBQFW-SGTLLEGYSA-N 360.793 3.855 0 1 FHAF CN(C)CCOc1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1 587113612 VQXCMIUIWMVTQN-UHFFFAOYSA-N 352.360 3.528 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(F)ccc2F)N1 587738177 KYEJXQXKHOUKQG-WJWGPLDTSA-N 357.173 3.885 0 1 FHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCCCO3 586963383 MJJHHYLBXXXYMB-HNNXBMFYSA-N 372.450 3.772 0 1 FHAF COC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2cc(F)ccc12 587634703 BNMXNVASLDDCHU-UHFFFAOYSA-N 356.353 3.520 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn3ccccc23)N1 587794452 MRKJZFANUSGWKC-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF Cc1ccc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587775100 ZBCSDHRAIBSFEC-VFZGTOFNSA-N 351.219 3.621 0 1 FHAF Cc1c(NC(N)=O)cccc1-c1nc2cc(F)cc(Br)c2[nH]1 587239649 MPEYDOUVGKTOSY-UHFFFAOYSA-N 363.190 3.931 0 1 FHAF COc1ccc(-c2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 587394713 ZHVFEBFSCZVLRM-LJQANCHMSA-N 361.401 3.749 0 1 FHAF Fc1cccc(C2(F)CC(c3nc4c(S)nc(S)nc4[nH]3)C2)c1 587131249 ABGUJXWFJNNOJQ-UHFFFAOYSA-N 350.419 3.812 0 1 FHAF COc1cccc2cc3c(nc12)[C@H]([C@@H]1CCN(Cc2ccccc2)C1)NCC3 963066060 LLUZGUQUJKZZGR-OFNKIYASSA-N 373.500 3.952 0 1 FHAF C[C@]1(c2nccnc2Cl)c2ccsc2CCN1Cc1cccnc1 962997343 LXVBURUIPPSENZ-GOSISDBHSA-N 356.882 3.908 0 1 FHAF CC(=O)N[C@H](C)c1nc(-c2ccc3nc(Oc4ccccc4)[nH]c3c2)no1 1772598059 PHCVLGORNBRRHM-LLVKDONJSA-N 363.377 3.602 0 1 FHAF c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)cc1 13560018 ZPSBXQBYCQOCEU-UHFFFAOYSA-N 357.417 3.644 0 1 FHAF CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)OCCO4)n2)c1 13679254 TXTKXFOMRHZRLS-UHFFFAOYSA-N 362.389 3.617 0 1 FHAF COc1cccc(N2C(=O)[C@H]3C[C@@H](C)c4c([nH]c5ccccc45)[C@H]3C2=O)c1 18203014 CZRACNQNAQNBFL-GFJSAUFNSA-N 360.413 3.957 0 1 FHAF OCCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccc(F)cc1)[C@@H]23 169333650 PBHAIJMKBRNJOF-PDGJWGCVSA-N 360.517 3.663 0 1 FHAF CC(=O)[C@]12[C@@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@@H]1c1ccccc1)[C@]32C 169355481 ZXKPEKZKEYGWNX-PTLNGURQSA-N 360.457 3.904 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1(C)CCC1 206105271 MLMNRFXLMUJDHR-UHFFFAOYSA-N 361.449 3.574 0 1 FHAF CCc1cccc(NC(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)c1 200151783 WAUMRZJWFNZHIK-LJQANCHMSA-N 351.450 3.564 0 1 FHAF CC(C)C[C@H]1C(=O)N[C@@H](C)CN1C(=O)c1ccc(-c2ccccc2)cc1 1857613715 NRQXXLICFHQCOS-JXFKEZNVSA-N 350.462 3.729 0 1 FHAF O=C(/C=C/c1ccccc1)OCCCc1cn(Cc2ccc(F)cc2)nn1 1857614577 NLCWFQGHYJZCLC-JLHYYAGUSA-N 365.408 3.655 0 1 FHAF COc1cc(/C=C/C(=O)Nc2ccccc2)ccc1OCCCN(C)C 1857628005 DPQGNFXYASLNPM-ACCUITESSA-N 354.450 3.678 0 1 FHAF c1cnc(N2CCN(CCCCOc3ccc4ccccc4c3)CC2)nc1 1857654590 ABIUZZBWKIDSHI-UHFFFAOYSA-N 362.477 3.611 0 1 FHAF O=C(O)C1CCC(Cn2c(=S)[nH]c3cc(Cl)ccc3c2=O)CC1 3043393 BKRBDTNZOHQYAS-UHFFFAOYSA-N 352.843 3.603 0 1 FHAF O=C(C1CCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(F)c2)cc1 100105163 CCVWNPXJSCLYBI-WKCHPHFGSA-N 350.437 3.559 0 1 FHAF CC[C@@H]1CC[C@H](N2C(=O)CC(=O)N(CCc3ccc(Cl)cc3)C2=O)C1 101678284 YHWWPYUITXNAKW-CJNGLKHVSA-N 362.857 3.642 0 1 FHAF C[C@H](C(=O)O)[C@]1(CCc2ccoc2)O[C@H](O)[C@@H]2C(C)(C)CCC[C@]21C 2356411129 ILDYTTOXFAJMBX-KQOJVLMTSA-N 350.455 3.853 0 1 FHAF COc1ccccc1-c1c2c(c(O)c3cc4c(cc13)OCO4)COC2=O 103221114 POVQHUKDPJKEKI-UHFFFAOYSA-N 350.326 3.620 0 1 FHAF CCSCCn1/c(=N/OC)sc2cc(OC(F)(F)F)ccc21 26724964 CIZBURSAFNQKKA-ATVHPVEESA-N 352.403 3.817 0 1 FHAF Cc1cc(-c2nc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)ccn1 35090195 NLERXTADXPLVFY-UHFFFAOYSA-N 368.393 3.556 0 1 FHAF CCCCC/C=C\C[C@@H]1O[C@H]([C@H](O)C/C=C\CCCC(=O)O)C[C@H]1O 28895886 AWZVRICAMPEGBC-UXDBDEHMSA-N 354.487 3.594 0 1 FHAF CO[C@H](C=Cc1ccccc1)[C@H](C)[C@H](OC)[C@@H](C)C=CC(C)=CC(N)=O 2356699208 JCMQQWWEDGWMJB-GWOFKNCZSA-N 357.494 3.990 0 1 FHAF COc1cc(OC)c2c(c1)OC(c1ccccc1)=C[C@@]2(O)C(F)(F)F 28528869 NKZKOYAVDQZGFI-KRWDZBQOSA-N 352.308 3.887 0 1 FHAF COC(=O)C1=CO[C@H](C)[C@@]2(C)CN3C=Cc4c([nH]c5ccccc45)[C]3C[C@@H]12 2356858082 IQXBTLFPLHDDSF-LEXZLQQCSA-N 363.437 3.836 0 1 FHAF Cc1ccc(Cn2cnc(C(=O)N(C#N)Cc3ccccc3F)c2C)cc1 73197479 UVULXQHBNNHUAB-UHFFFAOYSA-N 362.408 3.811 0 1 FHAF CCOC(=O)[C@H]1C(CC)(CC)[C@]12C(=O)Nc1ccc(Br)cc12 34817251 MKOYVPXCLXKIAP-GUYCJALGSA-N 366.255 3.638 0 1 FHAF CCCN1C(=O)C(C)=C(C)[C@@]1(OCC1(CO)CC1)c1ccc(Cl)cc1 72123416 JCIMEQBFJMOHAN-HXUWFJFHSA-N 363.885 3.871 0 1 FHAF COc1cc(C(=O)c2c[nH]c(-c3ccc(Cl)cc3)n2)cc(OC)c1O 72108095 WUTZSMXYRDPUCR-UHFFFAOYSA-N 358.781 3.684 0 1 FHAF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Cc1cc2ccccc2s1 40395598 BCCMTJLKKXQLAQ-KRWDZBQOSA-N 364.488 3.858 0 1 FHAF COCCn1c(CC(C)C)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188497 PMDVAGVXWGAPRF-INIZCTEOSA-N 367.497 3.887 0 1 FHAF O=C(Nc1ccc(-c2cn[nH]c2)cc1)[C@@H]1COc2ccc(Cl)cc2C1 40914341 OMWZPRJUHLJDJF-AWEZNQCLSA-N 353.809 3.920 0 1 FHAF COc1cccc(-c2ccc3c4[nH]ncc4c(=O)n(CC(F)(F)F)c3c2)n1 220085257 JTBSOTWWMFCBLG-UHFFFAOYSA-N 374.322 3.511 0 1 FHAF O=C(O)C[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1 49034707 COVRGMXLINYFFZ-CHWSQXEVSA-N 374.849 3.796 0 1 FHAF C[C@]12CC[C@@]34C[C@H](CC[C@@]3(C)[C@]1(C)CCC[C@@]2(C)C(=O)O)[C@@](O)(CO)C4 141037368 BADRGIKXWOSHML-CJRUCWEJSA-N 364.526 3.988 0 1 FHAF COc1ccc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)cc1OC 95755605 KATZRIXCWYLGDN-UHFFFAOYSA-N 374.418 3.893 0 1 FHAF COc1ccc(C[C@@H](O)C(=O)c2cc(CC=C(C)C)c(O)cc2OC)cc1 43012867 GHGQPDUKAGNTSF-HXUWFJFHSA-N 370.445 3.704 0 1 FHAF biogenic Cc1cc(C)c2[nH]c(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 587094105 JXWWAFRMMPHIOT-OAHLLOKOSA-N 355.385 3.937 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nonc23)N1 587796857 QUPGRDCIAPMVSU-VXJOIVPMSA-N 362.202 3.748 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1cc(N)ccc41)[C@@H](C2)C3=O 587438102 MCVKOBOHYWMCEN-AOMKIAJQSA-N 360.413 3.738 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2CC(=O)O)N1 587827338 KNGNZNWGPXMDIZ-RDGWCUKFSA-N 356.235 3.593 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(F)cc4)nc1C)[C@@H](C2)C3=O 587430077 ZQHVXUVZPLFDKT-KKSFZXQISA-N 364.376 3.817 0 1 FHAF CC(=O)OC[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587379416 USNXJYCZQWVODB-IBGZPJMESA-N 359.809 3.654 0 1 FHAF CO[C@@H]1[C@H](C)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C12CCC2 587599889 IQJOFGBRAOYHMQ-LMHIUCQLSA-N 366.413 3.928 0 1 FHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Cl)nc3[nH]2)cc1 587243973 DWYJRNQZAAADFV-UHFFFAOYSA-N 367.796 3.751 0 1 FHAF CCOC(=O)c1ccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2c1 587953110 ZSNZQVBXGMQLOG-HLIUYOAVSA-N 360.454 3.817 0 1 FHAF COc1cncc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c12 587242107 PEUYQEGVBHNNTA-UHFFFAOYSA-N 356.382 3.686 0 1 FHAF Nc1ccnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552277 PPZKVYDJYJDSAM-CRAIPNDOSA-N 368.776 3.726 0 1 FHAF Cc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)c(F)c1 962626601 CYKBAJQKZGUTJA-HOTGVXAUSA-N 369.314 3.721 0 1 FHAF COC(=O)c1ccccc1Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2 13736915 DUTJDVQBEZYMLH-UHFFFAOYSA-N 374.392 3.610 0 1 FHAF COc1cccc(CNC(=O)N(C)c2nc(-c3ccncc3)cs2)c1 165462047 DPJRGWXPXGPHGL-UHFFFAOYSA-N 354.435 3.560 0 1 FHAF Cc1ccc([C@H](CNC(=O)c2cc(C)ccc2Cl)N2CCOCC2)cc1 207588827 QNGAJUGNRPXKRQ-FQEVSTJZSA-N 372.896 3.760 0 1 FHAF CSc1nncc(-c2cnnc(Sc3ccc(C(C)(C)C)cc3)n2)n1 1857606375 BCBJYVFKMHKCBB-UHFFFAOYSA-N 370.507 3.894 0 1 FHAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1 775181 MAWMPCYKQBEDOR-WBMJQRKESA-N 372.396 3.878 0 1 FHAF CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(F)cc1Cl 775762 SPHAZOVMISHPOH-LLVKDONJSA-N 368.836 3.932 0 1 FHAF C[C@H](NC(=O)NC(C)(C)C)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356319907 RBHSFBOEERJWDB-VIFPVBQESA-N 365.817 3.852 0 1 FHAF COc1cc(OC(=O)N(C)C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 26485765 RZBBFZFBJHZBSG-UHFFFAOYSA-N 367.401 3.761 0 1 FHAF COc1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccccn5)C[C@@H]3N4)cc2)cc1 100107064 AIFQVEDCLCEDCV-BKFWDETESA-N 371.484 3.697 0 1 FHAF O=C(C1CCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 100105426 VOPNJQQCSVXGIX-AJLFRQOWSA-N 358.485 3.923 0 1 FHAF O=C(CCCN1CCCCC1)c1ccc(OCCCc2c[nH]cn2)cc1 27312578 OXJHJIXIXCLVDU-UHFFFAOYSA-N 355.482 3.870 0 1 FHAF O=C(O)C1=CC[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356400636 FIWGUWJZNRWGNC-LWYIDNOBSA-N 350.414 3.673 0 1 FHAF COc1cc2cc(C=C[C@H](C)O)c3c(c2cc1OC)C[C@@H]1CCCN1C3 2356669585 HIVKDOZRSFLVCE-YOEHRIQHSA-N 353.462 3.772 0 1 FHAF c1cc2c(cc1[C@H]1OC[C@H]3[C@H](c4ccc5c(c4)COC5)OC[C@H]13)OCO2 2356725073 IBRLTXWCVZGFHN-SQBLYHGDSA-N 352.386 3.521 0 1 FHAF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 34867611 ZDXBWMUUIAZABH-HNNXBMFYSA-N 368.355 3.819 0 1 FHAF Cc1cc(Nc2cc(C3CC3)n[nH]2)nc(NCc2cc(C(C)C)no2)n1 35876455 PXDGNXYOKGCMEM-UHFFFAOYSA-N 353.430 3.853 0 1 FHAF COc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1OC 34335957 PTVOXKKZUPVNAK-UHFFFAOYSA-N 355.369 3.542 0 1 FHAF CCCN1C(=O)Cc2cc(OC)ccc2[C@H]1COc1ccc(OC)cc1 1911583584 QSDSAAGLZGRQOF-HXUWFJFHSA-N 355.434 3.619 0 1 FHAF COc1ccc(Oc2nc(NCc3ccco3)nc(N(C)C(C)C)n2)cc1 82067258 VBFOQRHPYKMROO-UHFFFAOYSA-N 369.425 3.722 0 1 FHAF CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnccc3cn2)c1F 84603915 UAZHRKQSJWEKQS-UHFFFAOYSA-N 363.389 3.727 0 1 FHAF CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(-n3cccn3)nc2)c1F 220740345 PBDQSVWGJFDNLZ-CQSZACIVSA-N 358.804 3.701 0 1 FHAF COc1cc(/C=C/C=C/C=C/C(=O)N2CCCCC2)cc(OC)c1OC 299818859 AMEYSMZVVFPVSM-XAWLDFMPSA-N 357.450 3.851 0 1 FHAF CCOc1nn(-c2ncc(Br)cn2)c(C)c1Cc1ccccc1 299865560 NVWCSEBANMYFSS-UHFFFAOYSA-N 373.254 3.723 0 1 FHAF CC(C)C[C@@H](CO)NCC(=O)N1CCc2ccccc2[C@@H]1C1CCCCC1 473093226 SXJOMZJAQSZBDU-REWPJTCUSA-N 372.553 3.689 0 1 FHAF O=C(Cc1c[nH]c2ccccc12)N1CCCN(c2noc3ccccc23)CC1 653709110 FTVZVRFLHFICQH-UHFFFAOYSA-N 374.444 3.591 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cccs2)N1 587845711 FMXXTNHNLXNKON-VXJOIVPMSA-N 370.243 3.512 0 1 FHAF CC(=O)C[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587718191 HUXCLHAWSAHBOD-UOWDBTKRSA-N 350.178 3.562 0 1 FHAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587233146 JLGLQMYKBNGVAM-CABZTGNLSA-N 363.389 3.561 0 1 FHAF Cn1cnc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587575249 FBOFJSGAJSRYEP-SIKLNZKXSA-N 372.380 3.982 0 1 FHAF Oc1nc2cc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c3cc2[nH]1 587120372 GJZQBWPUHZFXEJ-UHFFFAOYSA-N 358.283 3.707 0 1 FHAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(C(N)=O)cc2[nH]1 586996502 QOWGPEYBAANECD-UHFFFAOYSA-N 374.238 3.738 0 1 FHAF Nc1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1C(=O)O 587248162 GNHHXBUTZNUHQO-UHFFFAOYSA-N 366.602 3.926 0 1 FHAF Cc1nccnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341295 WABLTLJCTDWMBK-GHTZIAJQSA-N 364.376 3.904 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1O)CC2=O 587464055 HNSFMEFYWATRFF-GFCCVEGCSA-N 370.327 3.509 0 1 FHAF COc1cnccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587774047 LCRUYMBUKATYJF-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1coc(C)n1 587861676 BNCAQANTAQNIQM-UHFFFAOYSA-N 351.284 3.562 0 1 FHAF Oc1nc(O)c2cc3c(nc2n1)[C@@H](c1ccccc1OCc1ccccc1)C3 587558859 DHNFTOSACFMANL-MRXNPFEDSA-N 371.396 3.703 0 1 FHAF CC(=O)Nc1ccc(Cl)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587049284 GBEICJQRMTVKMG-UHFFFAOYSA-N 355.707 3.602 0 1 FHAF Cc1cc2c(cc1C)[C@]1(CCS2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963513181 ZKTAPATYIZYQRH-LAUBAEHRSA-N 369.486 3.656 0 1 FHAF CSc1ccc([C@]2(C3CC3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963508718 MAKBWZDPILODKX-UWJYYQICSA-N 369.486 3.675 0 1 FHAF COc1ccc(Br)nc1[C@H]1NCCc2c1sc(C)c2C 963015578 BUKLHAFHWNASOU-CQSZACIVSA-N 353.285 3.766 0 1 FHAF Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)cnc1Br 1772599862 SELTZKDLEPWOFA-UHFFFAOYSA-N 360.133 3.819 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 5071091 DLNNHWKVRRDIHN-HKUYNNGSSA-N 372.509 3.684 0 1 FHAF O=c1[nH]nc(-c2cc(Cl)ccc2O)n1Cc1ccc(C(F)(F)F)cc1 13558795 VBDDRTVQUZVGJO-UHFFFAOYSA-N 369.730 3.665 0 1 FHAF O=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCCCC1 13682688 XPOKAKSJZJVCRM-UHFFFAOYSA-N 355.278 3.625 0 1 FHAF COC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 1857601217 HQVFZJDZNUARFD-MRXNPFEDSA-N 370.405 3.630 0 1 FHAF COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(Cl)cc1F)NC(=O)N2 1857639705 SWXMYAJBTOZOJY-CQSZACIVSA-N 366.776 3.729 0 1 FHAF Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1ccc2ccccc2c1 1857652133 OXWPEYWWXRKVCA-UHFFFAOYSA-N 360.402 3.781 0 1 FHAF 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)CC[C@]12O 3875960 XZTUSOXSLKTKJQ-ORSOCIMASA-N 374.521 3.604 0 1 FHAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC[C@H](C)[C@H]3O 6381589 TXJUQTAMRSPFTG-APPDUMDISA-N 356.418 3.992 0 1 FHAF COc1ccc([C@@H]2C=C(NCCN(C)C)c3cc(F)ccc3N2)c(F)c1 101426660 NXXOPCWBNIOPNC-FQEVSTJZSA-N 359.420 3.632 0 1 FHAF CCO/C(O)=C1\C(C)=Nc2nc(SCC)nn2[C@@H]1c1ccc(OC)cc1 101750001 SZIVARKSZDTPHQ-DPEHCCBOSA-N 374.466 3.900 0 1 FHAF CC(C)(C)c1cc(C(=O)Nc2cccc(CN)c2)n(Cc2ccccc2)n1 73195735 YXXBOCLJFPYBIS-UHFFFAOYSA-N 362.477 3.940 0 1 FHAF CC(=O)OCC1=C[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C(C)C)=C3[C@H]2C[C@@H]1O 13413230 HATYVUGWHSLHBM-MJCUUPPCSA-N 362.510 3.770 0 1 FHAF biogenic CC(C)[C@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 223660220 JPFPGRAGWIPYOT-OAHLLOKOSA-N 368.506 3.994 0 1 FHAF C[C@H]1CN(c2ncc(C#Cc3cc(F)ccc3F)cn2)C(=O)OC1(C)C 143942905 SKRJSCVZKOXECU-LBPRGKRZSA-N 357.360 3.526 0 1 FHAF COc1ccc2ccc(=O)oc2c1C1=NN(C(C)=O)[C@H](c2cccs2)C1 299869090 UADHKLCXXLKZAC-AWEZNQCLSA-N 368.414 3.561 0 1 FHAF CCN1C(=O)c2cccc3c(NS(=O)(=O)C4CCCCC4)ccc1c23 653739784 SWOAKXBUWVPXQO-UHFFFAOYSA-N 358.463 3.894 0 1 FHAF Nc1cc(C(=O)O)cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587249947 UEUUBJAZNOAKLJ-UHFFFAOYSA-N 357.369 3.741 0 1 FHAF Cc1c(-c2nc3ncc(Br)c(C)c3[nH]2)oc2c1[C@H](O)CCC2 586904855 CHRVUGLGHNRHSH-SNVBAGLBSA-N 362.227 3.967 0 1 FHAF O=C(O)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611797 UDKWCGWZZCYBNE-YLJYHZDGSA-N 362.337 3.793 0 1 FHAF NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330545 BXAVTIJQYGRSJQ-UNMCSNQZSA-N 363.388 3.744 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2F)N1 587724930 AIORQUYJORPDOU-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF Cc1ccnn1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342491 NVCIYDLOMLTADZ-PZJWPPBQSA-N 366.392 3.854 0 1 FHAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)ncc2[nH]1 586985072 YDEXGMJJMXRHFA-SNVBAGLBSA-N 351.635 3.616 0 1 FHAF c1ccc(-c2csc(=Nc3cccc(-c4nc5cncnc5[nH]4)c3)[nH]2)nc1 587022539 ZZKWBJVBYNQEPE-UHFFFAOYSA-N 371.429 3.704 0 1 FHAF CCOc1ccccc1OCc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587780042 LAULZJWTJIXZTN-UHFFFAOYSA-N 360.797 3.981 0 1 FHAF CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 587649727 AUFHTLQTZCPOGP-NSHDSACASA-N 366.483 3.720 0 1 FHAF CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@H]2C1)CC5 587213677 YXWUSHGXXJXAOG-GJZGRUSLSA-N 350.462 3.915 0 1 FHAF O=C(NCc1nc2cc(F)cc(F)c2[nH]1)c1cccc(C(F)(F)F)c1 587112262 RTVDOLYAGIDGHZ-UHFFFAOYSA-N 355.266 3.790 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](COCCOC)(C(C)(C)C)CC2=O 587480520 KXMFVDLLIFOEFG-FQEVSTJZSA-N 350.455 3.758 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(C)(C)C)nn2)N1 587758240 IDPPIZUYVHZUFJ-BJOHPYRUSA-N 367.266 3.558 0 1 FHAF CC(C)(C)OC(=O)N1CC[C@H]1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518010 YTAJGQYYVMCUFA-FUHWJXTLSA-N 357.450 3.909 0 1 FHAF COc1nccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587115780 AQNNDCUBDCIYIV-UHFFFAOYSA-N 373.132 3.810 0 1 FHAF COC(=O)C(=O)C[C@]1(C(C)(C)C)NCCc2c(Cl)cc(Cl)cc21 963126171 VEPHVOXXXRDFCP-KRWDZBQOSA-N 358.265 3.513 0 1 FHAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccccc4F)C[C@@H]2N3)cc1 100108856 RUQKMPOOEIYMMQ-DZQCNVRRSA-N 351.425 3.831 0 1 FHAF CCn1c2c(c(O)nc1=O)[C@@H](c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 103663475 KWMKBPXMRACVMZ-HNNXBMFYSA-N 365.433 3.819 0 1 FHAF CC1(C)CCc2cc3c(C(F)(F)F)cc(S(C)(=O)=O)nc3cc2N1 27409223 RPRXVMKAASLJHF-UHFFFAOYSA-N 358.385 3.794 0 1 FHAF C[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)N(C)C 29465808 DLSWNGRKDBASQP-GFCCVEGCSA-N 371.824 3.931 0 1 FHAF COC[C@@H](O)COc1ccc(OCc2cccc(Cl)c2)cc1C(C)=O 28222190 XYKKEWPKVZCKON-MRXNPFEDSA-N 364.825 3.508 0 1 FHAF COc1cccc2c1CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117412977 IGHSTADROFWTPQ-JXFKEZNVSA-N 361.445 3.906 0 1 FHAF Cc1cc(C)c(C(=O)OCc2cc(=O)c(OC(=O)C(C)(C)C)co2)c(C)c1 26006925 NLXCNQNNKOHMBO-UHFFFAOYSA-N 372.417 3.874 0 1 FHAF O=C1NC[C@@H](c2cc(C(F)(F)F)ccc2F)N1c1ccc2[nH]cnc2c1 116195323 YWAXQEVHXLZLMM-HNNXBMFYSA-N 364.302 3.992 0 1 FHAF Cc1noc(-c2cn3ncnc(Nc4cnc5[nH]ccc5c4)c3c2C(C)C)n1 29047835 RSSKQOASPNWTBZ-UHFFFAOYSA-N 374.408 3.831 0 1 FHAF O=C(NC1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1)C1CC1 72103019 LPIXMILYETZAPI-HXUWFJFHSA-N 369.896 3.815 0 1 FHAF CCC(=O)OCc1c2c(c(OC(=O)CC)c3occ(C)c13)C[C@@H](O)C[C@H]2C 13300455 XVMJURDWENMOTK-YPMHNXCESA-N 374.433 3.920 0 1 FHAF biogenic COc1ccc(-n2ccc3c(sc4ncnc(NC5CC5)c43)c2=O)cc1 35285149 QIVJNIYDUQGHJQ-UHFFFAOYSA-N 364.430 3.578 0 1 FHAF COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 40447748 AIFCUVNKIXTICB-IFQGXVKQSA-N 359.510 3.709 0 1 FHAF Fc1ccc(OC2CCNCC2)c(-c2nc(Cc3ccccc3)no2)c1 225201274 XEMCZOORKCEEDS-UHFFFAOYSA-N 353.397 3.597 0 1 FHAF COC(=O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 40447746 AIFCUVNKIXTICB-MXRWEVEXSA-N 359.510 3.709 0 1 FHAF CN1C(=O)CCc2cc(-c3cncc(COc4cc(C#N)ccn4)c3)ccc21 220995344 LQGLBZPDCWIBPI-UHFFFAOYSA-N 370.412 3.503 0 1 FHAF CSC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 40563815 NFQLYCRAYNXTQV-DLBZAZTESA-N 352.887 3.644 0 1 FHAF O=C(O[C@@H]1C[C@@H]2C[C@H](n3cnc4c(Cl)ncnc43)[C@H]1C2)c1ccccc1 195509763 ATKMRHHZZZBAKX-PMOUVXMZSA-N 368.824 3.676 0 1 FHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc3ccccn3c2)n1 142077080 AXOONVKWXWKGEX-WMLDXEAASA-N 365.437 3.884 0 1 FHAF O=C(N[C@H]1CCC[C@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1ccccn1 95590585 WULJJNIUCIHCRO-OXJNMPFZSA-N 369.852 3.623 0 1 FHAF COc1cccc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Cl)cc3)c12 95554223 IWQHEVHMLSWZRR-UHFFFAOYSA-N 357.793 3.927 0 1 FHAF Cc1ccc(S(=O)(=O)N(c2ccccc2F)[C@H]2CCCC[C@H]2O)cc1 254156577 RDEWYSPZHTYTSS-RBUKOAKNSA-N 363.454 3.633 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C3CC3)nc2)N1 587772172 DTCFXWJWYQGWAV-XXFAHNHDSA-N 362.246 3.879 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(O[C@@H](C)C(=O)O)c1)CC2=O 587479655 CNPOECQCYWFMMV-HXPMCKFVSA-N 370.401 3.903 0 1 FHAF Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1C 586928522 DUFBLFMXCBUNDD-UHFFFAOYSA-N 363.870 3.654 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(O)cc(O)c2)N1 587832900 LDJIOFJRCJLVJQ-VVVCHXIZSA-N 366.230 3.797 0 1 FHAF CCn1ccc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587515913 PHUILDISLWKXMA-VKXNWWILSA-N 365.477 3.718 0 1 FHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(CO)cc3[nH]2)c1 587241653 GJNUVJSSRWVORE-UHFFFAOYSA-N 355.394 3.775 0 1 FHAF COC(=O)c1ccc(Oc2ccc3[nH]c(/C=C/C=C\C(=O)O)nc3c2)cc1 587966309 BHQNPDRKLCMNGD-HZDAAVBUSA-N 364.357 3.796 0 1 FHAF C[C@@H](Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(N)=O 587512582 YVCDKIYJWNLZEG-ZUOKHONESA-N 365.429 3.525 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CCN(C)CC2)N1 587764968 AVLLRYCEODOVLM-NHYWBVRUSA-N 355.295 3.895 0 1 FHAF Cc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587592337 GQTILUUABZAXPR-PGRDOPGGSA-N 373.364 3.510 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC3(C2)OCCO3)N1 587837483 HPYCSIYWFXUFBZ-BDJLRTHQSA-N 370.262 3.635 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](CC1CCC1)[C@@H]1NCCc2c(C(=O)O)cccc21 963125773 UMJYTHMCRPEAHB-ZWKOTPCHSA-N 374.481 3.655 0 1 FHAF Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 13611984 NGVOFCKLNMBOIB-UHFFFAOYSA-N 364.371 3.763 0 1 FHAF OCCCNc1cncc(-c2ncncc2Nc2cccc(Cl)c2)c1 13612169 PPDYBNPFRNXANS-UHFFFAOYSA-N 355.829 3.730 0 1 FHAF CCC(C)(C)c1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1 1857631005 IBIARUJAKRRZRG-UHFFFAOYSA-N 368.525 3.755 0 1 FHAF O=C(c1cc(N2CCc3ccccc32)c(O)cc1O)N1Cc2ccccc2C1 1857747597 JSAVUVAMZARBGA-UHFFFAOYSA-N 372.424 3.948 0 1 FHAF c1ccc(-c2c[nH]c(=NCCCCN=c3[nH]cc(-c4ccccc4)[nH]3)[nH]2)cc1 1857757243 WWTHOZCBGZEQDT-UHFFFAOYSA-N 372.476 3.615 0 1 FHAF C[C@H](c1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(C(N)=O)c1)C2 101366407 IDPGDKXBQTZRGW-KBMWQNTOSA-N 350.462 3.921 0 1 FHAF CN(CC(=O)Nc1ccccc1C(=O)O)c1ccc(Cl)c(Cl)c1 28642918 NAKPRUBXTZBAJN-UHFFFAOYSA-N 353.205 3.767 0 1 FHAF CC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCNCC1 117660257 LIKKMSJYXQMOCX-UHFFFAOYSA-N 373.460 3.713 0 1 FHAF O=C(O)CN1C(=O)S/C(=C\c2ccc(Oc3ccccc3)cc2)C1=O 66262650 DXXUCYIEDLGBND-GDNBJRDFSA-N 355.371 3.600 0 1 FHAF COc1cc(C(C[C@@H](C)[C@@H](C)CO)c2ccc(O)c(OC)c2)ccc1O 2356422168 HPMLLVLUXZPREW-KGLIPLIRSA-N 360.450 3.902 0 1 FHAF Cc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccc(F)cc2)o1 82164425 CPPFVIXOSXIYJM-OAHLLOKOSA-N 354.385 3.837 0 1 FHAF C[C@H](N)CNc1nc(-c2ccncc2F)nc2sc3c(c12)CCCC3 223676052 STQDTUIYESZIAS-JTQLQIEISA-N 357.458 3.530 0 1 FHAF O=C(Cc1ccccc1)N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199358447 RGPKRGTXASMKMB-LJQANCHMSA-N 370.880 3.580 0 3 FHAF Nc1c(C(=O)c2ccc(F)cc2F)cc[n+]([O-])c1-c1cccc(Cl)c1 42966181 VWUMYSGUWCZVAR-UHFFFAOYSA-N 360.747 3.732 0 1 FHAF Cc1cccc(C)c1Nc1nnc([C@@H](O)c2ccc3c(c2)OCO3)s1 82083555 YFUUZDHDTPTXLA-INIZCTEOSA-N 355.419 3.709 0 1 FHAF CCOc1cccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1 142310680 WGURCWSGJJRQIH-HNNXBMFYSA-N 354.450 3.550 0 1 FHAF COc1cccc([C@H](C)Nc2ncc(C)c(N3C(=O)OC[C@@H]3C(C)C)n2)c1 142054601 WDWTVNSWJFPPFR-WMLDXEAASA-N 370.453 3.948 0 1 FHAF CC(C)=C1OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1 96929012 GXBVWEOSOVQLFW-UHFFFAOYSA-N 372.417 3.991 0 1 FHAF Cc1cnc(Cl)c2nc(-c3cccn4c(Br)cnc34)[nH]c12 587006593 IQOPBBZPINWGBR-UHFFFAOYSA-N 362.618 3.997 0 1 FHAF C[C@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587648970 FMZBGWOTOOZGKS-JTQLQIEISA-N 361.394 3.566 0 1 FHAF COC(=O)CCC[C@@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453623 XVOPNBJYFTYLHP-JLTOFOAXSA-N 372.442 3.743 0 1 FHAF CC[C@@]1(C)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(N)ccc2O1 587392023 VXNQUOHHXQMZPW-SFTDATJTSA-N 352.434 3.971 0 1 FHAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O 587808526 QNCNFJLFHYCLSE-HUTHGQBESA-N 366.230 3.926 0 1 FHAF COC(=O)[C@H](C)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805158 GZPZPHXOGPFQBF-LSYCYVAJSA-N 358.251 3.537 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(F)ccc(C)c21 587471220 JRLPTBRXSSROEY-HXUWFJFHSA-N 355.365 3.605 0 1 FHAF Cc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1F 587149113 LXUOHNPAKNSBMY-GFCCVEGCSA-N 359.351 3.805 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(F)(F)F)nn1C)CC2=O 587464302 NRKJYJJNQSSRAB-KRWDZBQOSA-N 368.355 3.978 0 1 FHAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(O)c3N)c([C@H](N)C(=O)O)c2c1 587642892 PRSAVXZVHSTCHU-MGNBDDOMSA-N 353.422 3.721 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1nccs1)CC2=O 587492642 BBLQHPCCTMIECA-GOSISDBHSA-N 360.435 3.554 0 1 FHAF C[C@@]1(C2(O)CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607050 GYXXVMTUXIVZFB-YLJYHZDGSA-N 354.402 3.808 0 1 FHAF COc1cc2c3c(c1)O[C@@](COC(F)(F)F)(c1ccccc1)[C@@H](C2)C3=O 587421461 LAGYLUXEUPAVKA-KSSFIOAISA-N 364.319 3.875 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2nccn2C)(C2CC2)N1 587756557 SCKBJEPSLAUUCD-BMLIUANNSA-N 364.262 3.510 0 1 FHAF COc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2n1 587013263 QTBFXAFZDRLRJT-UHFFFAOYSA-N 351.229 3.730 0 1 FHAF CS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587500311 BADPVNDSZGNJFJ-LJQANCHMSA-N 374.433 3.815 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(C1CCOCC1)[C@@H](C2)C3=O 587451345 HJSFNEONFRAHJU-PGRDOPGGSA-N 350.414 3.765 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1nc2ccccc2n1C 963052918 FHLWMAGTQSZHAM-JOCHJYFZSA-N 358.445 3.539 0 1 FHAF CSc1ccccc1[C@]1(C2CC2)NCCc2ccc(C(=O)N(C)C)cc21 962926408 CDCVCDYFZPLSEW-QFIPXVFZSA-N 366.530 3.910 0 1 FHAF O=C(c1cc2ccc(O)cc2[nH]1)N1CCC(COc2ccccc2)CC1 13554247 YFLRVMPCONWBFK-UHFFFAOYSA-N 350.418 3.805 0 1 FHAF CC(=O)OC[C@@H](O)COC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C 15214139 HRJDVRFBWBTRAF-DZIKFAHUSA-N 352.471 3.873 0 1 FHAF Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccc(Cl)cc4)c3=O)nc2c1 169320281 FIOUQFTYBYXJJU-UHFFFAOYSA-N 352.825 3.903 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 169355484 FHWOSRUUSHMKKA-CQQDWVGSSA-N 356.466 3.595 0 1 FHAF CC(=O)Nc1cccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)c1 1857608431 RXAXSEWMAHSTCE-UHFFFAOYSA-N 358.401 3.514 0 1 FHAF C[C@H]1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C(=O)C1 1857754956 LFXGWFKCPKGROF-XJKSGUPXSA-N 372.415 3.692 0 1 FHAF COc1ccc(C2=CN3C(=O)c4cc(OC)c(OC)cc4N=C[C@@H]3C2)cc1 1491479 ALARUQBUFAFMSJ-HNNXBMFYSA-N 364.401 3.684 0 1 FHAF O=C(O)C1=CCCN(CCOCCC(c2ccccc2)c2ccccc2)C1 1544898 MKCQPQCVGYMENE-UHFFFAOYSA-N 365.473 3.942 0 1 FHAF Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)NCc1ccco1 4935231 BPLAAKOUYIZJSA-UHFFFAOYSA-N 374.444 3.855 0 3 FHAF CN(C)CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 6808484 ITESNYBWKVFAEV-UHFFFAOYSA-N 352.912 3.966 0 3 FHAF COC(=O)c1cc2c(cc1OC)C=C[C@H]1[C@@](C)(C(=O)OC)CCC[C@]21C 27525758 RVHYYFDRUOVOIY-UIFIKXQLSA-N 358.434 3.746 0 1 FHAF O=C(O)CCCOc1ccc(C(=O)NC2CCCC2)c(Cl)c1Cl 29476541 YZFXLNQGNVUBHY-UHFFFAOYSA-N 360.237 3.909 0 1 FHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@H](Cc5ccc(=N)[nH]c5)C4)(C[C@H](N)[C@H]31)O2 2356505341 AYQIYMYUYUADHZ-KHAOJVGOSA-N 369.553 3.908 0 1 FHAF CCCNC(=O)[C@@]1(C)CCCN(Cc2csc(-c3ccccc3)n2)C1 61906881 WNXXKESYDWBFSV-FQEVSTJZSA-N 357.523 3.938 0 3 FHAF CO[P@@](=O)(c1c(C(N)=O)[nH]c2ccc(Cl)cc12)C1CCCCC1 34821191 VRJWXYOMWZIWBE-HSZRJFAPSA-N 354.774 3.803 0 1 FHAF CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(C)c1 71340639 LTELLSHJEKDTRM-UHFFFAOYSA-N 368.838 3.572 0 1 FHAF C=CC[C@]12C=C(OC)C(=O)C=C1O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C 15119339 CMTIOXAVRNUFAG-HBUDHLSFSA-N 356.418 3.971 0 1 FHAF biogenic O=C(c1ccc(Cl)c(Cl)c1)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 74378519 COTRLQWRDRCQLZ-BBRMVZONSA-N 361.228 3.869 0 3 FHAF COc1cccc([C@@H]2SCC(=O)N2c2ccc3c(C)cc(=O)oc3c2)c1 49694924 OGJWZTPCUFNIBD-FQEVSTJZSA-N 367.426 3.889 0 1 FHAF CC1(C)Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 49785146 PSGDCHWXQZRSHI-HXUWFJFHSA-N 351.837 3.941 0 1 FHAF O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccncc12 139104235 RMKRYUKAFCDHJF-UHFFFAOYSA-N 367.836 3.878 0 1 FHAF C[C@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)O 40393258 KADANUMXYOOTIX-VIFPVBQESA-N 360.826 3.987 0 1 FHAF O=C1NCc2c1c1c(c3c2c2ccccc2n3CCO)CCc2ccccc2-1 40380257 RKOKHRNEVZKOLO-UHFFFAOYSA-N 368.436 3.796 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1 40421389 DIPASAAPTXFVNF-QFBILLFUSA-N 372.896 3.888 0 1 FHAF CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 96248467 HTMFXDINJCEKDX-KBXCAEBGSA-N 372.900 3.735 0 1 FHAF CN1CCC(C(=O)c2cc(F)cc(NC(=O)c3ccc(F)cc3)c2)CC1 473103983 NMVUEIYZQDINJN-UHFFFAOYSA-N 358.388 3.742 0 1 FHAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2nc(=N)[nH]c(Cl)c2[nH]1 587067058 ZKDZTQPZVQUMQK-UHFFFAOYSA-N 359.220 3.838 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c4c(c1O)CCCN4CCC3)O2 587393928 BRBOPOJXTPGLEC-LJQANCHMSA-N 364.445 3.688 0 1 FHAF C[C@]1(c2ccc(C(=O)O)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614986 FAENTSQLJKGJFE-OXQOHEQNSA-N 366.325 3.560 0 1 FHAF CC(C)(C)C[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603891 QAPGVLAUJMTYHK-MGPUTAFESA-N 356.374 3.613 0 1 FHAF Cc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587341831 XWUIRYSOBOFBMK-CTNGQTDRSA-N 364.376 3.904 0 1 FHAF CCOC(=O)C1(C)CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587799240 RJGNTBYDEFBBMI-OSWGYVBTSA-N 370.262 3.681 0 1 FHAF COc1cc(C(=O)O)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524325 LZLDPSHKTLNAKR-IBGZPJMESA-N 352.386 3.979 0 1 FHAF COc1ccc(CCCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1OC 587926399 YQFLVXUPNDIQII-UHFFFAOYSA-N 358.369 3.593 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnc(Br)cc1C)[C@@H](C2)C3=O 587417723 PFJZMOLOHNPWIQ-GTNSWQLSSA-N 360.207 3.650 0 1 FHAF Cc1nc(O)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587850680 DWHCVEZIRINSAO-ZIDLFYJRSA-N 371.275 3.856 0 1 FHAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587149984 JLLGIHRXQXKLJX-ZDUSSCGKSA-N 372.419 3.733 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCC[C@H](n4nc(C)cc4C)C1)[C@@H](C2)C3=O 587430468 GHARSDYNVTXXMZ-WJPUGNRLSA-N 352.434 3.810 0 1 FHAF CS(=O)(=O)c1cccc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 586925499 GAZABPPADNPZJN-UHFFFAOYSA-N 369.215 3.535 0 1 FHAF CCC[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587793415 DYTLANNVGDUBJH-HWPZZCPQSA-N 358.251 3.681 0 1 FHAF Cc1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C 587338234 BXDMLGQJOUEXKV-CTNGQTDRSA-N 366.392 3.848 0 1 FHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C)cc(F)c3[nH]2)cc1 587229063 ZTMWYTYZKPNBFP-UHFFFAOYSA-N 370.384 3.509 0 1 FHAF O=Cc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614654 UDOSGBUAILVIQZ-CRAIPNDOSA-N 352.367 3.969 0 1 FHAF COc1cc(/C=C\c2nc3c(N)ncnc3[nH]2)cc(Cl)c1OCC(C)C 587046900 OYEAIQQXINFTCZ-PLNGDYQASA-N 373.844 3.802 0 1 FHAF COc1cccc(O)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596137 UUHTYWUQOZOJTL-NQIIRXRSSA-N 364.353 3.809 0 1 FHAF COC(=O)c1cc(OC)cc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)c1 963097007 FFNLFYCKENLOCJ-OXQOHEQNSA-N 355.409 3.731 0 1 FHAF COc1cc2c(cc1OC)[C@H](C[C@@H](C)C(=O)OC(C)(C)C)N(C)[C@@H](C)C2 962618855 DZGVXBSBKHPAAJ-KEYYUXOJSA-N 363.498 3.989 0 1 FHAF O=C(CCCN1CCN2c3ccccc3CC[C@H]2C1)c1ccc(F)cc1 5162674 CDMKFCYALGWSEN-FQEVSTJZSA-N 352.453 3.926 0 1 FHAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 11592662 DBEPLOCGEIEOCV-SGQJWYDZSA-N 372.553 3.815 0 1 FHAF CCOc1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528590 CXFWNCNJNGMYQT-UHFFFAOYSA-N 370.426 3.776 0 1 FHAF Cc1ccc(-c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)c(C)n1 13832981 LINZPGCPZUIUCQ-UHFFFAOYSA-N 370.355 3.992 0 1 FHAF CCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2cc(F)ccc12 169312086 WEBBZZZWMVCFNK-UHFFFAOYSA-N 353.441 3.908 0 1 FHAF COC(=O)N1N=C(c2ccccc2)C[C@H]1c1c(OC)cc(OC)cc1OC 1857535687 QOANSUSHQIYQAD-INIZCTEOSA-N 370.405 3.630 0 1 FHAF CNC(=O)c1ccsc1-c1cnc2[nH]c(COc3ccccc3)nc2c1 1857613767 UBDSTXLOARMOPC-UHFFFAOYSA-N 364.430 3.625 0 1 FHAF Cc1nc2cccc3c2nc1N[C@@H](C)C=CC[C@H]1CNC(=O)c2cc-3[nH]c21 1857627594 DDQXBYGNFGPJRL-AAEUAGOBSA-N 359.433 3.521 0 1 FHAF COC(=O)C[C@@]1(C(=O)O)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12 1857774335 DECURNMHKBVONE-YHYVQYDKSA-N 374.477 3.552 0 1 FHAF c1ccc(-c2nc(NCCCn3ccnc3)cc(-c3cccnc3)n2)cc1 1738459 JZWLMAQASHYBAM-UHFFFAOYSA-N 356.433 3.904 0 1 FHAF CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H](OC)C1=NCCN1CC 2356318782 YPNVONJTSSWPPO-LEWJYISDSA-N 368.477 3.954 0 1 FHAF CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)cc1 4081363 WTBOOQPNLXSUKP-IEBWSBKVSA-N 372.852 3.919 0 1 FHAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCO 4212841 TUEOZKDULHQFEU-VQTJNVASSA-N 360.498 3.932 0 1 FHAF C[C@H]1CCC[C@H](C)N1C[C@@H](O)CNC(c1ccccc1)c1ccccc1 28221565 REJYGFBJAGQUCN-IPJJNNNSSA-N 352.522 3.989 0 1 FHAF Cc1cnc(NC(=O)[C@H]2C(=O)N3c4ccccc4Cc4cccc2c43)s1 100658652 PIBRNGNAWXYYQU-INIZCTEOSA-N 361.426 3.756 0 1 FHAF CCCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC)[C@@H]2c1ccncc1 103631636 XPIYXYIDJIMGHP-VLURKWGBSA-N 372.450 3.733 0 1 FHAF CCOC(=O)CNC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 100401048 DOHPHECIQVDUEM-UOBYYGQQSA-N 355.478 3.512 0 1 FHAF O=C(O)C[C@H]1C[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)c(F)c1 28648140 ZWPCJINLOLYZBQ-WBVHZDCISA-N 370.424 3.779 0 1 FHAF O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCNC3 35087203 JBGVFTYCZGOWDL-UHFFFAOYSA-N 368.820 3.529 0 1 FHAF CCc1ccc(-n2cnc3c(N(C)C)c4ccnsc-4c3c2=O)cc1 38267026 HMPWPLBZCWFFGD-UHFFFAOYSA-N 350.447 3.575 0 1 FHAF in-vitro Cc1cccc(C)c1C(O)(C[C@@H](O)CNC(C)C)c1c(C)cccc1C 84740949 UDUIQPZPZJYHEV-HXUWFJFHSA-N 355.522 3.905 0 1 FHAF C[C@@H]1CCC[C@@H](C)N1C[C@H](O)CNC(c1ccccc1)c1ccccc1 40506189 REJYGFBJAGQUCN-WOIUINJBSA-N 352.522 3.989 0 1 FHAF O=c1[nH]c2ncc(-c3ccc(-n4ccnc4)cc3)nc2n1CC1CCCCC1 82157489 HHPDRWBCLDJWTP-UHFFFAOYSA-N 374.448 3.553 0 1 FHAF CCC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95877984 YQBGGQMUOBBMST-LKUPVBHCSA-N 354.425 3.579 0 1 FHAF NC(=O)O[C@@H](CCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 95576129 UKZJJKHPTXSTMH-IBGZPJMESA-N 373.884 3.689 0 1 FHAF CC(=O)O[C@@H]1C[C@](C)([C@H](O)CO)C[C@@H]2CC[C@H]3C(=CCCC3(C)C)[C@]21C 238770739 NTEYEQYDRUGUKN-VKUFQHAMSA-N 364.526 3.850 0 1 FHAF CC(C)CNc1nccn2c(-c3ccc(C(=O)NC(C)C)cc3)cnc12 299868455 RKBSUAGOGLJWFS-UHFFFAOYSA-N 351.454 3.602 0 1 FHAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC 299873937 AOBKGJUWHPBGOH-JEDBISTDSA-N 364.486 3.817 0 1 FHAF O=C(O)CCc1ccc(-c2cnc3cnc(-c4ccccc4CO)cn23)cc1 653778384 DRRFFTBVYNRGQK-UHFFFAOYSA-N 373.412 3.573 0 1 FHAF CS(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587110266 YBCPCFNDIPBYNZ-UHFFFAOYSA-N 358.316 3.791 0 1 FHAF CN1CCN(c2ccc3nc([C@@H]4C[C@H]4c4cccc(F)c4F)[nH]c3c2)CC1 587150314 CEQOYVMKASMQHG-JKSUJKDBSA-N 368.431 3.864 0 1 FHAF CCOc1n[nH]c(-c2nc3ccc(OC(C)C)cc3[nH]2)c1Br 586979658 HQVGFUNNXINUHE-UHFFFAOYSA-N 365.231 3.901 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(C)c2C(F)F)N1 587717722 MCSJDIRQRHBVLL-WPPNPWJKSA-N 374.204 3.883 0 1 FHAF COc1ccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(F)c1 587149051 ORQATIIEJFYANS-UHFFFAOYSA-N 360.698 3.715 0 1 FHAF CCCn1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587760014 NQKMWHKNCYMATF-QFYYESIMSA-N 352.251 3.818 0 1 FHAF COCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587831478 XGRJLHVJRDIXHW-JDNHERCYSA-N 354.219 3.951 0 1 FHAF COc1cccc(C[C@@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587442245 KMTXDZJMWBHIFP-GCJKJVERSA-N 350.414 3.843 0 1 FHAF O=C1c2ccccc2-c2c(CCCC3OCCO3)cnc3ccc(O)c1c23 586990033 CHGQEKWVNUONTB-UHFFFAOYSA-N 361.397 3.847 0 1 FHAF COc1cc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2cn1 586975347 AWQVKZQUSJAGCA-XQRVVYSFSA-N 360.211 3.908 0 1 FHAF COc1ccc([C@H](c2ccccc2)c2nc3c(O)nc(S)nc3[nH]2)cc1 587934059 ANVSRBDWXWHJBW-AWEZNQCLSA-N 364.430 3.536 0 1 FHAF CCN1CCC([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587772337 ZYSVVRUGGUWHSU-GTNSWQLSSA-N 355.295 3.895 0 1 FHAF N[C@H](Cc1cscn1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587029026 DSXXJHFKQFVQHY-MRVPVSSYSA-N 362.764 3.814 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(C)=O)c(OC)c1)CC2=O 587480108 NBXRXPLNEXVXPV-LJQANCHMSA-N 370.401 3.985 0 1 FHAF O[C@H]1C[C@@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2ccccc21 586905056 XUMMCXCPCILUHZ-BDAKNGLRSA-N 354.719 3.546 0 1 FHAF CCOC(=O)[C@H](CC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595928 LZQXDXNYAIUPMU-XXHMAFKTSA-N 370.401 3.702 0 1 FHAF COc1cnc(-c2nc3ncc(Br)c(C)c3[nH]2)cc1Cl 587064697 NDGAAPDHCRDWAX-UHFFFAOYSA-N 353.607 3.753 0 1 FHAF COc1ccc([C@H]2c3ccsc3CCN2Cc2cccn2C)nc1C 962399009 PHKKZYIMQCLDLI-HXUWFJFHSA-N 353.491 3.946 0 1 FHAF COc1ccc2c(c1OC)[C@@](C)(c1cnc3ccoc3c1)N(C)[C@@H](C)C2 962639475 WGADPISQOCRGLR-YEJXKQKISA-N 352.434 3.985 0 1 FHAF Cc1ccc([C@@]2(c3ccc(O)cc3)NCCc3c(C(=O)O)cccc32)cc1 963131000 MAUYWNMKTDDWIY-QHCPKHFHSA-N 359.425 3.836 0 1 FHAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1ccccn1 1772644116 RCFYJRZPBCJCLP-MDZDMXLPSA-N 368.440 3.997 0 1 FHAF COc1ccc(CC2(CO)CCN([C@@H](C)COc3ccccc3)CC2)cc1 12750359 KIUJEASPRLEBRK-IBGZPJMESA-N 369.505 3.780 0 3 FHAF COc1cc2occ(-c3ccc(OC)c(OC)c3OC)c(=O)c2cc1OC 14645868 PQBJXCFVHIZLIF-UHFFFAOYSA-N 372.373 3.503 0 3 FHAF biogenic,in-vitro CCSC(=O)n1cc([C@H](C)[C@@H]2SC(NC)=NC2=O)c2ccccc21 169319779 PNFVJHQIOBGSDD-HZMBPMFUSA-N 361.492 3.683 0 1 FHAF COc1cc(OC)cc(-n2ccnc2-c2cc(OC)c(OC)c(OC)c2)c1 1857559241 JDKOGJQNPIQVIZ-UHFFFAOYSA-N 370.405 3.582 0 1 FHAF CCOC(=O)C1=C(C)NC(c2ccc(F)cc2)=C(C(=O)OCC)[C@@H]1CC 40936871 OSOLGMXLLGIKGX-OAHLLOKOSA-N 361.413 3.566 0 1 FHAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773595 RJGKEBWDPSFIAY-WBMJQRKESA-N 372.396 3.878 0 1 FHAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)C[C@@H]2N3)cc1 100107102 RCGMWVQGYHDHFO-GQOYEBEOSA-N 351.425 3.831 0 1 FHAF O=C1[C@H]2CCC[C@H]2N=C(c2ccccc2O)N1CCc1cccc(F)c1 28522631 RVUYYDYEDLCXFG-FUHWJXTLSA-N 352.409 3.532 0 1 FHAF CO[C@@H](Cc1scnc1C(=O)Nc1nccs1)C1CCCCC1 28468972 VOSYSMVHLJUPGE-LBPRGKRZSA-N 351.497 3.990 0 1 FHAF O=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1[C@H]1CCNC1 27754088 NWWBSQWYWOKQJY-ZDUSSCGKSA-N 374.271 3.539 0 1 FHAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3cccc(F)c3)no2)CC1 73197734 PJLGLAHITQBNSQ-UHFFFAOYSA-N 371.334 3.924 0 1 FHAF C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 72170912 VAMJZLUOKJRHOW-YNIQLQCKSA-N 366.461 3.737 0 1 FHAF CC(=O)OCC1=C[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C(C)C)=C3[C@H]2C[C@H]1O 13413236 HATYVUGWHSLHBM-PIBZIWMISA-N 362.510 3.770 0 1 FHAF biogenic CC(C)c1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1 35313107 DKKXDKQDGSPVPN-UHFFFAOYSA-N 355.463 3.628 0 1 FHAF CCOc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 72118789 CUOMLJVONIQKJO-OAHLLOKOSA-N 353.418 3.575 0 1 FHAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)NC(C(=O)O)C(=O)O 45357973 XGRAWTXHJVXRAL-NCZFFCEISA-N 365.470 3.840 0 1 FHAF Cc1cc(C)c(C2=NO[C@H](Cn3cnc4c(Cl)ncnc43)C2)c(C)c1 49110194 SEQZTAPOGKQIKO-ZDUSSCGKSA-N 355.829 3.598 0 1 FHAF O=C(NCCc1ccccc1)c1cc(-c2cccnc2)cnc1NCC1CC1 45168293 BRZAJTXRBIYUBT-UHFFFAOYSA-N 372.472 3.938 0 1 FHAF O=C1C(=O)N(Cc2ccc(F)cc2F)c2ccc(OC(F)(F)F)cc21 40980051 IKMCXOVKGCQRAH-UHFFFAOYSA-N 357.234 3.593 0 1 FHAF CCOC(=O)C1=C(c2ccccc2)CCN(CCc2ccc(OC)cc2)C1 95595526 ZFQRTXJDRCWJDW-UHFFFAOYSA-N 365.473 3.960 0 1 FHAF C[C@@]1(c2cc(Nc3ncc4ccccn34)ccc2F)CCSC(N)=N1 147555313 DBIAUUFKVHYVFU-SFHVURJKSA-N 355.442 3.884 0 1 FHAF C[C@H]1CCC[C@@H](C)N1CCC[C@](C(N)=O)(c1ccccc1)c1ccccn1 253632667 CZVQBMXKFAJRAC-YYDVJCTNSA-N 365.521 3.896 0 1 FHAF O=C(c1ccccc1)c1c(C(F)F)[n+](=O)c2cc(Cl)ccc2n1O 377839271 HHRCRIHXCLHVGK-UHFFFAOYSA-N 351.716 3.615 0 1 FHAF COc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2n1 587082092 KADJWDZDANARNH-UHFFFAOYSA-N 355.785 3.520 0 1 FHAF CN(C)C(=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068637 WHBQXYYYLIETSE-UHFFFAOYSA-N 365.824 3.975 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(OC)n1)CC2=O 587483704 DCPCLVXVUYYJCO-HXUWFJFHSA-N 357.406 3.638 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCN3CCCC[C@H]32)[C@H]1c1ccc(F)cc1 587346059 KYQZNCFIPIDALI-ONTIZHBOSA-N 367.420 3.887 0 1 FHAF Cc1cc(C)c2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 587038926 VCXDTIADLHOEFG-GFCCVEGCSA-N 367.478 3.927 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587044264 YJSQOYQMQNZPAJ-JTQLQIEISA-N 358.389 3.597 0 1 FHAF COC1=C(C)OC=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587829910 CYEYODFAEAYNSV-ABKXIKBNSA-N 354.219 3.740 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OC[C@H]1CCCO1)[C@@H](C2)C3=O 587455981 RPKVHAHOTWPWIL-UVQUFPMPSA-N 366.413 3.742 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc4c(cc1SC)OCCO4)[C@@H](C2)C3=O 587452316 OFHNQSYKIDGBSK-RNODOKPDSA-N 370.426 3.677 0 1 FHAF O=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](c2ccccc2)N1 587527716 VZCPTRVEUPEKOM-CVDCTZTESA-N 361.441 3.921 0 1 FHAF Cc1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1C 587768894 DOFCYYNPKYCROZ-CQLKUDPESA-N 364.262 3.927 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1COc2ccccc2O1 587871485 IRGCHPLWGWUXEG-SFHVURJKSA-N 368.364 3.568 0 1 FHAF O=C(n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)C(F)(F)F 587656343 XPOXPSHDPDXJPR-UHFFFAOYSA-N 354.234 3.544 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(C)(C)C)(C(=O)O)N1 587828342 OTPFWQYTSROJFC-ABKXIKBNSA-N 358.251 3.839 0 1 FHAF N[C@@H](Cc1nc2c(Cl)ccnc2[nH]1)c1ccc(Br)cc1F 587143112 WWUNXIVHTLJGLU-NSHDSACASA-N 369.625 3.755 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(O)c1 587862348 KZOPLMVSKNJHNP-UHFFFAOYSA-N 362.307 3.972 0 1 FHAF CCOP(=O)(C[C@@]1(CC)CC(=O)c2cc(C)cc(N)c2O1)OCC 587409315 RJRPRPOSSGDNJX-QGZVFWFLSA-N 355.371 3.957 0 1 FHAF Cc1cc(F)ncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567970 GIHKULVFLXJBTE-FXAWDEMLSA-N 351.333 3.938 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccccn1)[C@@H](C2)C3=O 587427641 JQXGGRABKGEXNI-HTAPYJJXSA-N 361.372 3.921 0 1 FHAF Cc1ccc(Cn2nc(C)c([C@H]3NCCc4nc5ccccn5c43)c2C)cc1 962985540 PMYRXAIGSZATSO-JOCHJYFZSA-N 371.488 3.739 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)C1=C(C)N(C)c2nnnn2[C@@H]1C 963224336 DRSZADJOEUUZHG-NVAPDCRFSA-N 366.513 3.530 0 1 FHAF CCC(CC)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 169701192 GIDJTLHYVDKSLR-SFHVURJKSA-N 353.470 3.770 0 1 FHAF COc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1OCCN(C)C 207683925 JUWUNGUBIMHNLC-MHWRWJLKSA-N 372.852 3.782 0 1 FHAF CCCCC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)OC 2356442807 QLPYHQHJKMTHED-JPLJXNOCSA-N 368.514 3.564 0 1 FHAF O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1 4237942 VTBDTIPPCXUWQW-IBGZPJMESA-N 357.479 3.630 0 1 FHAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)Nc1ccccc1)C2 2356289983 FTGJNKFGSKLDSK-QGZVFWFLSA-N 351.406 3.758 0 1 FHAF C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100556415 YJFRCGBSROETFJ-UQTITGAPSA-N 367.917 3.897 0 1 FHAF COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCCc1cccs1 115793037 ZOPGBOGFULRHEH-GDNBJRDFSA-N 361.444 3.702 0 1 FHAF Cc1csc(N(C)[C@@H]2CCc3c(c4cc(F)ccc4n3CC(=O)O)C2)n1 118888187 PAUYXZFTMWCOTB-CYBMUJFWSA-N 373.453 3.624 0 1 FHAF O=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(COCCO)n1 61907624 GLBGMDYHCVIIJX-UHFFFAOYSA-N 370.430 3.697 0 3 FHAF C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 34095914 VAMJZLUOKJRHOW-DLTYQINTSA-N 366.461 3.737 0 1 FHAF CCN(CC)CCN1C(=O)CS[C@@H]1CC12CC3CC(CC(C3)C1)C2 40880189 DCRFEBIFPWSCBR-OFGIBPIPSA-N 350.572 3.836 0 1 FHAF CCCCCNc1ncnc2c1nc(-c1cccnc1)n2C[C@@H]1CCCO1 82186410 AOFYYPGFQGRWBW-INIZCTEOSA-N 366.469 3.669 0 1 FHAF CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 147506706 RQOZHOYTJMKHNZ-UHFFFAOYSA-N 361.850 3.907 0 1 FHAF C[C@H](O)c1cc(-c2cnn(C)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 144905009 RCDOJXLKUQYEEJ-WLRWDXFRSA-N 374.362 3.919 0 1 FHAF O=C(N[C@@H]1CCC[C@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1ccccn1 95590584 WULJJNIUCIHCRO-OXQOHEQNSA-N 369.852 3.623 0 1 FHAF C[C@]1(c2c[nH]ccc2=N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341512 ZAFGQRQTZCVMQS-TZIWHRDSSA-N 364.376 3.613 0 1 FHAF Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)s1 587276719 SEQSAEHLPVEADL-UHFFFAOYSA-N 366.236 3.992 0 1 FHAF Cc1nc2[nH]c([C@@H](N)Cc3ccccc3Cl)nc2cc1Br 587059840 ZQTZYPLVCIMKGB-LBPRGKRZSA-N 365.662 3.925 0 1 FHAF CC[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454878 ZDRSOJWQYVRWHD-VFNWGFHPSA-N 352.386 3.519 0 1 FHAF CCN(/C=C(\F)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)CC 587547674 MAFCISJSAZZOKY-KUEHGGGSSA-N 357.381 3.875 0 1 FHAF O=C(O)c1cc(O)cc(-n2c(O)ccc2OCCCc2ccccc2)c1 587926065 KFKUYKMCXDRARE-UHFFFAOYSA-N 353.374 3.598 0 1 FHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(Br)c(O)c2[nH]1 587162474 CSESKNXJYJCAFO-CQSZACIVSA-N 364.218 3.821 0 1 FHAF O=C(O)c1cccnc1SCc1nc2ccc(OC(F)(F)F)cc2[nH]1 586966934 MDXJSJVDQMPRJV-UHFFFAOYSA-N 369.324 3.847 0 1 FHAF CCc1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587093864 HPHSKKIPCRIJIS-HNNXBMFYSA-N 355.385 3.883 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC2(C(=O)O)CCC2)N1 587827089 NLCWHOCKVRUNPR-MGPLVRAMSA-N 370.262 3.983 0 1 FHAF CCOC(=O)[C@@H](C1CCCC1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441408 KGYIYCZWLGYJLM-FQELHTAISA-N 358.434 3.571 0 1 FHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)s1 587022889 CUHHXXXRGQHCMW-LBPRGKRZSA-N 374.426 3.757 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccncc1NC(=O)C(C)(C)C)O2 587391021 RFHXLRMMEUONGF-KRWDZBQOSA-N 353.422 3.663 0 1 FHAF Nc1ccc2c(c1)[C@]1(C=CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581233 UYABJIYWFQMCFH-UGKGYDQZSA-N 373.364 3.738 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(C)=O)ccc3[nH]2)cc1 586937516 FUJZWEVIGJQLEA-LBPRGKRZSA-N 371.462 3.509 0 1 FHAF N[C@H](Cc1nc2cc(Cl)cnc2[nH]1)c1ccc(Br)cc1F 587142716 LZQJWZQUJYQAPI-LLVKDONJSA-N 369.625 3.755 0 1 FHAF COc1ccc2c(c1)[C@]1(CCc3cc(C(=O)O)ccc31)N(C(C)C)CC2 962092245 NGFSIAYSKREIDK-JOCHJYFZSA-N 351.446 3.850 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@@H](c2csc(C3CC3)n2)N1)C(F)(F)F 962727751 AOOLZQDWSQFXMK-OCCSQVGLSA-N 352.381 3.756 0 1 FHAF Cn1nc(-c2ccccc2)c([C@H]2NCCc3nc4ccccn4c32)c1Cl 962984306 CTDUPDUGRDDCFP-GOSISDBHSA-N 363.852 3.623 0 1 FHAF C[C@]1(c2cccc(C(=O)O)n2)c2ccsc2CCN1Cc1ccco1 962714240 VQOYVMPYQAXJPH-LJQANCHMSA-N 354.431 3.756 0 1 FHAF Nc1nc(N)c2c(CNc3cc(Cl)c(Cl)c(Cl)c3)coc2n1 5973834 UECLOOWSSNULBP-UHFFFAOYSA-N 358.616 3.960 0 1 FHAF O=C1Cc2c(n(CCO)c3ccc(Br)cc23)-c2ccccc2N1 13532031 GWFCNMFOAORLDH-UHFFFAOYSA-N 371.234 3.558 0 1 FHAF CN(C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C(C)(C)C 13738799 LDYQURJWCGZMCC-IBGZPJMESA-N 370.537 3.860 0 1 FHAF COc1ccc(-c2n[nH]cc2CN2CCC(c3ccncc3)CC2)cc1F 15070072 IHAPMWCVXFXKHA-UHFFFAOYSA-N 366.440 3.999 0 3 FHAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccsc1 168535928 SPBKTTFQHBOSDH-UHFFFAOYSA-N 365.458 3.553 0 1 FHAF COc1ccc(C(=O)N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 3955972 GRYHDPVEPHMKGD-QHCPKHFHSA-N 364.489 3.824 0 1 FHAF O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(c2cnccn2)C1 6747264 WMCYEKJHMZUEJZ-HXUWFJFHSA-N 372.472 3.599 0 1 FHAF CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3)c2ccc(O)cc2)cc1 100815551 AJSSYKQNNVWKLL-WOJBJXKFSA-N 362.473 3.858 0 1 FHAF CN1CCN(c2cc3[nH]c(SCc4ccc(F)cc4)nc3cc2F)CC1 29048693 NPSUGZFKWNMBHA-UHFFFAOYSA-N 374.460 3.885 0 1 FHAF Fc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3ccccn3)cc2)c1 100107748 TUZDOOWQTJFFFW-NUNAXRQHSA-N 359.448 3.828 0 1 FHAF CCOC(=O)c1cncn1[C@@H](C)c1ccc(C2(C(F)(F)F)N=N2)cc1 64503460 XILQKEHRYUALQZ-JTQLQIEISA-N 352.316 3.850 0 1 FHAF COc1ccc(-c2nccn2-c2cc(OC)c(OC)c(OC)c2)cc1F 45315224 DNJOLIRHDNOYFK-UHFFFAOYSA-N 358.369 3.713 0 1 FHAF O=C(O[C@@H]1C[C@H]2C[C@@H]1[C@H](n1cnc3c(Cl)ncnc31)C2)c1ccccc1 84615654 ATKMRHHZZZBAKX-ZGKBOVNRSA-N 368.824 3.676 0 1 FHAF COc1cc(O)c(CC(=O)c2ccc(O)cc2O)c(OC)c1CC=C(C)C 85996833 LXLBPEZCZLGOGJ-UHFFFAOYSA-N 372.417 3.755 0 1 FHAF endogenous,in-man O=C(Cc1cc(F)c(Cl)cc1Cl)N[C@@H]1CCOc2ncccc21 146604835 OEMNLMOBUMQHGK-CQSZACIVSA-N 355.196 3.710 0 1 FHAF CCc1nccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587776533 XULAAWZKCHBBDG-FVMDXXJSSA-N 350.235 3.564 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(C(F)(F)F)c1O)[C@@H](C2)C3=O 587419560 GVHIIWFRJUKYSQ-APPDUMDISA-N 350.292 3.908 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3ccccc3n2)N1 587774070 LDULNIFDPSUBEV-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(-c2ccccn2)s1 587872594 OYUVSCHVDHUPBM-UHFFFAOYSA-N 367.409 3.991 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(C)CCN(C(=O)OC(C)(C)C)CC1)O2 587397207 YAZCKPUWWUQYGC-KRWDZBQOSA-N 374.481 3.948 0 1 FHAF COC(=O)c1cccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077543 VZEZBXDZIGEWDX-HNNXBMFYSA-N 355.781 3.620 0 1 FHAF COc1ccc(OC)n1C[C@@H](c1cccc(Br)c1)N(C)C 587940417 OTYNAFNWTSGVBK-AWEZNQCLSA-N 353.260 3.571 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nccn3c2)N1 587775631 SNRAJPCTWMHIDM-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(C(F)(F)[C@H](F)C(F)(F)F)[C@@H](C2)C3=O 587419303 FUEQTEWYABACKO-AQUOVQTQSA-N 354.246 3.737 0 1 FHAF NC(=O)Nc1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587242004 LCWGEAKRPHQGHR-UHFFFAOYSA-N 367.153 3.761 0 1 FHAF CC(=O)NC(C)(C)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587758972 ZLOUQQPQQLTLIC-QGHHPUGFSA-N 371.294 3.642 0 1 FHAF Cc1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2n1 586921079 BWVGRCBESRMRPM-UHFFFAOYSA-N 363.442 3.907 0 1 FHAF Cc1c(Br)cnc2[nH]c(/C=C3/OC(=O)c4ccccc43)nc12 586906050 HIELWKDQCUJCLL-WUXMJOGZSA-N 356.179 3.697 0 1 FHAF CC(C)[C@@H]1CC[C@@]2(C1)N[C@@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12 962645184 VKELAJAMZRPSOL-XNJGSVPQSA-N 357.372 3.836 0 1 FHAF COc1cc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cnc1OC 962720936 XSFAUOXLNPSRTR-LIRRHRJNSA-N 374.481 3.691 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)N[C@H](CSC)c3ccccc3)ncc12 1772606616 UJKMLXAUFZSUAF-OAHLLOKOSA-N 370.482 3.616 0 1 FHAF NC(=O)NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1 14956591 SRPOHNDQBDHONJ-UHFFFAOYSA-N 358.401 3.771 0 1 FHAF in-vivo C[C@H]1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1ccc(F)cc1 168075566 RBPTZTUDUGUXDB-HNNXBMFYSA-N 365.408 3.646 0 1 FHAF NCCC[C@H](N)CNCC(CCc1ccccc1)CCc1ccccc1 1857562635 LZVBHROLJLADFI-QHCPKHFHSA-N 353.554 3.524 0 1 FHAF Cc1cccc(Cl)c1-n1cnc2[nH]c(=Nc3ccccc3)sc2c1=O 1857607128 QEYYFSDUEFEDHZ-UHFFFAOYSA-N 368.849 3.970 0 1 FHAF O=C(NCCc1cccs1)[C@H]1CC(c2c(Cl)cccc2Cl)=NO1 8829390 VAHTYYHFLFCXBS-CQSZACIVSA-N 369.273 3.907 0 3 FHAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](CC(C)(C)C)C[C@@H]4[C@H](C2)N(C)CC[C@@]341 101499130 IKEFFWJSZNGXRT-SOIVDUSWSA-N 369.505 3.596 0 1 FHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3c(CO)cccc3CC[C@@H]21 100620957 NXJHRJSVNRSODM-CTNGQTDRSA-N 360.457 3.772 0 1 FHAF Brc1ccccc1COc1ccc2c(c1)-c1nncn1CCO2 53229633 UJOQYKQRPQVIQT-UHFFFAOYSA-N 372.222 3.679 0 1 FHAF NC[C@@H](C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1 40395521 SZPYEVURGKSXEH-MRXNPFEDSA-N 362.458 3.972 0 1 FHAF Cn1ccc2cc(NC(=O)N3CCN(Cc4ccc(F)cc4)CC3)ccc21 40918931 TUNPSCRSPNAONQ-UHFFFAOYSA-N 366.440 3.667 0 1 FHAF C[C@]12CCC[C@@](C)(COC(=O)CCC(=O)O)[C@@H]1CCc1cc(O)ccc12 147531480 XYBRCNMVXPANFE-DZFGPLHGSA-N 360.450 3.811 0 1 FHAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)N1CCCCC1)C2 25206670 YJEVWDDISZOYOD-NVXWUHKLSA-N 373.493 3.520 0 1 FHAF biogenic CCCc1cnc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)nc1 96172912 AHLCSSWVQFHMQS-OAHLLOKOSA-N 353.466 3.779 0 1 FHAF OCc1cccc(-n2ncc3c(SCCc4ccccc4)ncnc32)c1 621477706 VWWKXIPUIQCXED-UHFFFAOYSA-N 362.458 3.643 0 1 FHAF CCCCCC[C@@H]1CC(=O)c2c(OCOC)cc(OCOC)cc2O1 299818638 AGHPFTVSVNTSKW-CQSZACIVSA-N 352.427 3.956 0 1 FHAF CCN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 299870198 PFOPKKIKKJVVBI-MNPVNSQXSA-N 371.521 3.704 0 1 FHAF in-vivo C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nonc23)N1 587793803 LDJGPCXUPDCDFY-ZKANADHPSA-N 362.202 3.748 0 1 FHAF COc1ccc2c(C)c(CCc3nc4c(C)nccc4[nH]3)c(=O)oc2c1C 586918028 HEZLDORMEAUOEN-UHFFFAOYSA-N 363.417 3.783 0 1 FHAF CN(C)c1ncnc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499312 LVNNMASDSTWLTC-HNNXBMFYSA-N 357.841 3.781 0 1 FHAF Cc1ccc([C@]2(CN)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587749655 PXVNYPKCWMAUKP-SGTLLEGYSA-N 363.274 3.633 0 1 FHAF CCOC(=O)C[C@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587536381 VPOWGTKLEVCSNU-FQEVSTJZSA-N 371.458 3.836 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(N)c2)N1 587714398 FJIPCOAFAYRIBI-BCTVWOGZSA-N 353.210 3.933 0 1 FHAF CCCCNS(=O)(=O)c1ccc2nc(COc3ccc(C)cc3)[nH]c2c1 587565509 KQBRQWXQJDAKFZ-UHFFFAOYSA-N 373.478 3.529 0 1 FHAF C[C@@]1(c2cnns2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587373714 NAOMQGSQEHHMLO-WMZOPIPTSA-N 356.378 3.657 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)cnn2C)N1 587697738 OXUXKGSJSARHTA-VXJOIVPMSA-N 372.669 3.773 0 1 FHAF Cc1cc(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1Br 586978228 ZJGBKZPUOUZUEI-INIZCTEOSA-N 359.227 3.948 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)nc2)N1 587739432 BFIVDOZTZPVFRC-BTDLBPIBSA-N 364.262 3.673 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3ccc4nc(C)ccc4c3[nH]2)c1 586922726 YXSAHKDWDRMETO-UHFFFAOYSA-N 365.458 3.804 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCN(C[C@@H]3CCCO3)C[C@@H]1C)CC2=O 587481026 XKMABVHZEDMMLI-PONJGIIJSA-N 373.493 3.570 0 1 FHAF Cc1ccc([C@@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609646 OMTZNNXJKOMRRB-SIKLNZKXSA-N 362.381 3.550 0 1 FHAF C[S@](=O)/C=C/CCNC(=S)Sc1ccc(Br)cc1 1857656965 BOMNNJDOBLTOQJ-NUTIFNJFSA-N 364.355 3.698 0 1 FHAF Cc1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)no1 202376026 XPHDEHGEYDSHQE-UHFFFAOYSA-N 350.346 3.729 0 1 FHAF CCOC(=O)c1cc(Cl)nc(-c2cc(C(=O)OCC)cc(Cl)n2)c1 35653922 KDELPEHJLSDXCG-UHFFFAOYSA-N 369.204 3.804 0 1 FHAF COc1ccc([C@@H](c2ccc3c(c2)OCO3)[C@H](C)[C@@H](C)CO)cc1OC 15119351 KGDBNDDWKNDHSU-QTCYRWPVSA-N 358.434 3.829 0 1 FHAF O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCN(c2ncccn2)C1 4375201 BGMWXHLGEISHRW-SFHVURJKSA-N 358.445 3.999 0 3 FHAF CC(C)(C)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1ccccc1F 101284971 UWPFPPQQSUMVNR-HUUCEWRRSA-N 361.461 3.905 0 1 FHAF CCC(=O)N(c1ccccc1O)C1CCN(CCc2ccccc2)CC1 27868734 XZOQDVTVOPRUKT-UHFFFAOYSA-N 352.478 3.842 0 1 FHAF CC(C)NC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26393046 VOEVWWDYQIDNFO-ZTAGQOBPSA-N 374.569 3.991 0 1 FHAF O=C(c1c[nH]c2ccccc12)N1CCc2nc(COc3ccccc3)oc2C1 113251884 ZMWXEBBZPLELSD-UHFFFAOYSA-N 373.412 3.933 0 1 FHAF COc1cc(C(=O)c2ccc(-c3csc(N)n3)cc2)cc(OC)c1OC 64553528 IZLLLYPMLCTBIZ-UHFFFAOYSA-N 370.430 3.649 0 1 FHAF COc1cc([C@@H]2OC[C@H](Cc3cc(OC)c(O)c(OC)c3)[C@@H]2C)ccc1O 2356418267 DHWYNFQVHPLJKU-HCQWSFJTSA-N 374.433 3.690 0 1 FHAF CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3c2[nH]ccc3=O)CC1 26016243 ZBNMMPMSNVYHTD-UHFFFAOYSA-N 368.864 3.571 0 1 FHAF COc1ccc(Oc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cc1 73168970 DEPFXQSAHGKYPV-UHFFFAOYSA-N 370.796 3.773 0 1 FHAF COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@@H]2C 38147680 LKXSEJODFICBQQ-LLVKDONJSA-N 352.365 3.805 0 1 FHAF O=C1CCCN1CCCNc1cc(Oc2cccc3ccccc23)ncn1 82067595 HHSUMQWOWQTALB-UHFFFAOYSA-N 362.433 3.847 0 1 FHAF Cc1cccc(N(C)c2ccnc3c(-c4cccc(C(N)=O)c4)cnn23)c1 45370371 YNRYDWNCYAGSRL-UHFFFAOYSA-N 357.417 3.572 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCCCF)cn3)C2)cc1 149936776 FFELBPOZTCZFEU-HNNXBMFYSA-N 371.456 3.621 0 1 FHAF CCOc1ccncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585471 DYOAUOPDTGLXLS-WIYYLYMNSA-N 363.369 3.889 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2NC=Cn3cccc32)N1 587772805 OVXWYTGTZAFBBO-LWNYNHHKSA-N 362.246 3.738 0 1 FHAF C[C@@H](O)c1ncc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)s1 587020931 DILALGCCEJXZSD-SECBINFHSA-N 351.435 3.571 0 1 FHAF O=C(NCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1cc2c(s1)CCC2 587035213 QFCDBOLEPCFVMK-UHFFFAOYSA-N 367.261 3.745 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(C)=O)cc1C)[C@@H](C2)C3=O 587432356 KUVPSTURYGJTAW-UWJYYQICSA-N 351.402 3.625 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)OC(C)(C)C)(C1CCC1)O2 587385975 GGFFKADBIWBVDL-FQEVSTJZSA-N 360.454 3.606 0 1 FHAF C[C@@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174319 OENZUVILGZFLTI-INIZCTEOSA-N 365.286 3.744 0 1 FHAF COC(=O)[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587809415 RILNEAFHBPZFAX-MOCULFSLSA-N 370.262 3.681 0 1 FHAF CCOC(=O)c1oc2c(c1C)[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587413629 SVIVXAUEHIZMEL-OAQYLSRUSA-N 369.417 3.852 0 1 FHAF O=C(O)c1ncsc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994595 XXEFKVMGNCQNAD-UHFFFAOYSA-N 374.377 3.974 0 1 FHAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c(Br)c1 587366720 PPDYUAZLLQJGFW-UHFFFAOYSA-N 366.602 3.827 0 1 FHAF CC(=O)N[C@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(C)cc1 587207812 WUZGVGZIQMLPDL-LLVKDONJSA-N 365.330 3.848 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc12 587050168 VFVQSMACVAMLFP-UHFFFAOYSA-N 372.812 3.659 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCN(C(=O)OC(C)(C)C)CC1)O2 587396712 VTJXPQKAFMTCIG-KRWDZBQOSA-N 360.454 3.558 0 1 FHAF CCOC(=O)[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800245 WGXLRZSYWRJJAR-QLJPJBMISA-N 358.251 3.537 0 1 FHAF Nc1c(F)c(F)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1F 587136046 AJKOZOJGJFYDRX-UHFFFAOYSA-N 361.096 3.526 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c1 586923168 ZMCWAHAQOFMOKP-UHFFFAOYSA-N 370.261 3.649 0 1 FHAF COC(=O)C(C)(C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587806476 JILLPALXOFDWFD-JDNHERCYSA-N 358.251 3.537 0 1 FHAF Nc1c(C(=O)c2cccc(-c3ccncc3)c2)cnn1-c1ccc(F)cc1 12365482 FZARWELZTDACPC-UHFFFAOYSA-N 358.376 3.887 0 1 FHAF CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 13684695 WTIOICFLVWQZCC-RTBURBONSA-N 360.885 3.837 0 1 FHAF O=C(c1ccccc1Cl)N1CCC(N2C(=O)CCc3ccccc32)CC1 13832018 FLZFAAGAFALZLY-UHFFFAOYSA-N 368.864 3.924 0 1 FHAF Cc1ccc(C(=O)N2CC[C@@H]3CN(c4cnc5ccccc5n4)[C@@H]3C2)c(C)c1 169701372 YLPPSSAUBAJKOZ-DYESRHJHSA-N 372.472 3.598 0 1 FHAF Cc1cn2c(C(=O)NCc3ccc(C(F)(F)F)cc3)c(C)nc2s1 1857559485 WJHAPOYQUKMHLN-UHFFFAOYSA-N 353.369 3.961 0 1 FHAF O=C(c1cccc(Br)c1)N1CC[C@@H]2[C@@H](C[C@H]3CCCCN32)C1 1857595075 NEKYTHMRWJBPAO-USXIJHARSA-N 363.299 3.538 0 1 FHAF CCCCN1CCC(COC(=O)c2cc(OC)nc3ccccc23)CC1 1857770360 DSSRJGMCAVJWOJ-UHFFFAOYSA-N 356.466 3.912 0 1 FHAF Cc1ccc(S(=O)(=O)N(c2ccccc2F)[C@@H]2CCCC[C@@H]2O)cc1 6041637 RDEWYSPZHTYTSS-MOPGFXCFSA-N 363.454 3.633 0 1 FHAF CC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 6724137 NDDCAUFLATXOBO-ZWKOTPCHSA-N 356.491 3.821 0 1 FHAF CCc1ncnc(N(C)[C@H](C)c2ccc(OC(=O)N(C)C)cc2)c1Cl 28887789 SNFHGRBROXQPOD-GFCCVEGCSA-N 362.861 3.950 0 1 FHAF COc1cc2nc3c(c4c2c(c1OC)N(C(C)=O)CC4)Cc1ccccc1-3 27188336 MUHHJYUZRXHPSH-UHFFFAOYSA-N 360.413 3.732 0 1 FHAF COC(=O)N1CCC[C@@H](c2cc(C(=O)Nc3ccccc3Cl)no2)C1 61896003 VLJASUIPUVOAJA-LLVKDONJSA-N 363.801 3.526 0 3 FHAF c1ccc([C@H]2CC3(N4CCOCC4)CNCC2[C@@H](c2ccccc2)C3)cc1 116202911 QDRFBNUPHMXBIU-SSPWFOHLSA-N 362.517 3.638 0 1 FHAF COC(=O)CCC(C)=C[C@H](O)C[C@](C)(O)C=C[C@@H](CCC(C)=O)C(C)C 2356617402 BPWLFOMOKYQCNL-SVFBPWRDSA-N 368.514 3.586 0 1 FHAF N=C(Nc1ccc2[nH]cc(CCCN3CCOCC3)c2c1)c1cccs1 34805844 BBLDNOAEGRQVKQ-UHFFFAOYSA-N 368.506 3.932 0 1 FHAF CCN(CC)CCN(C)Cc1coc(-c2ccc(Br)cc2)n1 72182709 ZWJKPYKTNDBPIF-UHFFFAOYSA-N 366.303 3.878 0 1 FHAF COC(=O)C1(C(=O)OC)CCCC2=C(CC(=O)c3ccoc3)[C@H](C)CC=C21 1911578414 YNHUKFSOCRLUAZ-CYBMUJFWSA-N 372.417 3.632 0 1 FHAF COc1cccc(CSc2nc(Cc3ccccc3)c(C)c(=O)[nH]2)c1 49089043 XQPIPMUUVHHEQP-UHFFFAOYSA-N 352.459 3.970 0 1 FHAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccncc3)C[C@@H]1O2 84633411 KZZLVBIYWVNTKF-VHFSOBRXSA-N 366.461 3.714 0 1 FHAF CC1(C)CC(NC(=O)c2ccc([C@H](O)c3ccccc3)cc2)CC(C)(C)N1 145871657 UIHGZPQWPJHYJF-HXUWFJFHSA-N 366.505 3.807 0 1 FHAF COc1ccc([C@H](O)[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)cc1OC 238733074 FSDMYBGAIBCOBH-ZMOMAAQPSA-N 358.434 3.981 0 1 FHAF O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccncc1 95578443 KTUSUDDJXWQRSL-UHFFFAOYSA-N 353.253 3.690 0 1 FHAF COc1ccc(C(=O)O)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526155 RUVGVZVAQXCWEZ-LJQANCHMSA-N 352.386 3.979 0 1 FHAF Nc1cc(F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570340 VXLSPVZFQWIPMD-PXNSSMCTSA-N 351.333 3.816 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)cn1 587551760 JGESTXORJKGSSI-MAUKXSAKSA-N 354.749 3.539 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ncccc3C2)N1 587779380 RICMUVYNVWKXBN-ZMZPIMSZSA-N 361.258 3.902 0 1 FHAF Cc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594134 KMCYPNXTOXKGGS-PGRDOPGGSA-N 373.364 3.510 0 1 FHAF Cc1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C 587338235 BXDMLGQJOUEXKV-FPOVZHCZSA-N 366.392 3.848 0 1 FHAF C[C@]1(c2ncc(F)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340214 XJRKUYBIBNTVIP-PXNSSMCTSA-N 368.339 3.735 0 1 FHAF COC(=O)[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587809661 SKXLSSYSAWOWKU-HWPZZCPQSA-N 358.251 3.537 0 1 FHAF CC[C@]1([C@H](C)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809978 SMRHLFNTBMSKCP-YNHOBRIKSA-N 358.251 3.537 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)O2 587395770 OIBYGIKDHXCOED-RBZFPXEDSA-N 360.454 3.701 0 1 FHAF COCCC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCC1 587594373 HCECRXDEDNZIJW-FXAWDEMLSA-N 354.402 3.929 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nonc12 587588382 KILHXZMYNHGAKI-UZLBHIALSA-N 360.325 3.631 0 1 FHAF Cc1cc(F)c2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3)nc2c1 587111037 IDRSFKSYQMJSRG-UHFFFAOYSA-N 351.303 3.959 0 1 FHAF COc1c(F)ccc(-c2nc3ccc(Br)c(F)c3[nH]2)c1N 587133495 QXYAZPFFSBEUTC-UHFFFAOYSA-N 354.154 3.861 0 1 FHAF CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637206 DTJJBZLOSYEWTR-UHFFFAOYSA-N 351.227 3.697 0 1 FHAF COC(=O)C[C@@H]1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587811242 VZXVRGVTABOWFP-DINDLPBHSA-N 370.262 3.681 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 962900325 POLAAUFQUSINIV-YJBOKZPZSA-N 371.799 3.558 0 1 FHAF CN1C(=O)C[C@H]2CN[C@](CCOc3ccccc3)(C3CC3)c3cccc1c32 963023957 JFLVLFUIFLTHNH-QMHKHESXSA-N 362.473 3.814 0 1 FHAF CC[C@H](C)[C@@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cccc(F)c21 962923557 RFCSVEQMQKTCIX-GTXQTCRKSA-N 357.425 3.723 0 1 FHAF Cc1ccnc2c1CCN[C@]2(CCC1OCCCO1)c1cccc(F)c1F 963065560 FKCXPIDCOKLVCQ-OAQYLSRUSA-N 374.431 3.601 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@@H](c2c[nH]c3ccc(O)cc23)N1)C(F)(F)F 962759457 BJMGHEATJBKACM-IRXDYDNUSA-N 360.335 3.609 0 1 FHAF CCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC 1772594002 ALODLRYLTVWWDS-UHFFFAOYSA-N 366.461 3.594 0 1 FHAF CC(=O)c1ccccc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2F)C1 12578172 BWAUSGXSTIMYGA-GOSISDBHSA-N 368.452 3.765 0 3 FHAF O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 13560179 XOSAFCKSDPJGTM-UHFFFAOYSA-N 373.928 3.768 0 1 FHAF Clc1cccc2c1C[C@@H]2CN1CCN(c2cccc3c2OCCO3)CC1 13743679 UWHIQMMTHHWXEE-OAHLLOKOSA-N 370.880 3.573 0 1 FHAF CC(C)(C)CCNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167253677 VHTZFKUHSKIDGK-UHFFFAOYSA-N 366.465 3.795 0 1 FHAF O=C(c1cc(-c2cn[nH]c2)on1)N1CCC(Cc2ccc(Cl)cc2)CC1 1857552645 BDRPTPAJFFFIHV-UHFFFAOYSA-N 370.840 3.813 0 1 FHAF CCC(=O)c1ccc(OCCCCN2CCN(c3ccncc3)CC2)cc1 1857620654 YTJFCASZPXFTLK-UHFFFAOYSA-N 367.493 3.656 0 1 FHAF C[C@@H](OC(=O)COc1ccc(Cl)cc1)P1(=O)OCC(C)(C)CO1 103174181 NSAODROTDXDXCZ-NSHDSACASA-N 362.746 3.874 0 1 FHAF COc1cc([C@H](O)[C@@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)cc(O)c1OC 2356395984 ZNOVVYJXQWKCSW-MTJIALIYSA-N 374.433 3.686 0 1 FHAF COc1ccc(C)cc1NC(=O)OC1C[C@@H]2CCC[C@@H](C1)N2CCF 101190776 RITGYSHLRWARDN-GJZGRUSLSA-N 350.434 3.907 0 1 FHAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](C(=O)C[C@H]3CCC[C@H](C)N3C)[C@@H]12 28360208 DTHCTGWJIMUYIR-AKEFOKISSA-N 361.526 3.822 0 1 FHAF c1ccc([C@@H]2CC3(N4CCOCC4)CNCC2[C@H](c2ccccc2)C3)cc1 116202909 QDRFBNUPHMXBIU-WOLZVPSQSA-N 362.517 3.638 0 1 FHAF Oc1ccc2c(c1)CCCN(C(=S)NCCc1ccc(Cl)cc1)C2 29131944 FOASIZXCQOQSIL-UHFFFAOYSA-N 360.910 3.911 0 1 FHAF O=C1c2ccccc2C(=O)N1c1nc2ccc(OC(F)(F)F)cc2s1 29123164 DDBPYXDGQPCFGF-UHFFFAOYSA-N 364.304 3.996 0 1 FHAF CCc1ccc(C(=O)Nc2cccc(C)c2N2CCC3(CC2)OCCO3)o1 62241965 SGKOQVKJURANLQ-UHFFFAOYSA-N 370.449 3.746 0 1 FHAF COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OC)C(C)=C21 2356875421 ZPZNPUQWZNLOGW-UHFFFAOYSA-N 353.418 3.678 0 1 FHAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(c3ncccn3)C[C@H]2C1 36289102 LWUYMBKCCILSCM-IFMALSPDSA-N 360.505 3.655 0 1 FHAF CN(CCOc1ccc2cc(C(=O)O)[nH]c2c1)c1nc2ccccc2o1 71341275 QYNBLSPSRJGWNZ-UHFFFAOYSA-N 351.362 3.523 0 1 FHAF O=C1CN=C(c2ccoc2)C=C2c3cccc(-c4ccncc4)c3CCN12 148997881 HXYHQEZJOCAKSI-UHFFFAOYSA-N 355.397 3.570 0 1 FHAF CCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253695561 BQWMLHMOZSVPKK-IYWNDFTNSA-N 360.542 3.602 0 1 FHAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1 261155921 PYUCVLVRHYGSER-XLIONFOSSA-N 356.514 3.767 0 1 FHAF CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccccc2)n1 299882297 PLDYMBWEENIJER-QAPCUYQASA-N 352.482 3.908 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cccc(C)c1)[C@@H](C2)C3=O 587426887 ACTPXNPUZQOPIJ-HRAATJIYSA-N 351.402 3.539 0 1 FHAF CCOC(=O)C[C@@]1(CCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399154 IPDCBZSPZJPDHE-JOCHJYFZSA-N 367.445 3.867 0 1 FHAF Cc1cc(-c2nc3c(C)cncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123583 DUCNTRZOSQPLPU-UHFFFAOYSA-N 370.356 3.503 0 1 FHAF Cc1cc2nc(CCNC(=O)Cc3ccccc3)[nH]c2cc1Br 587228906 TXOUOHUUCMEIDP-UHFFFAOYSA-N 372.266 3.535 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3[nH]c(O)cc32)N1 587806866 WETVXHNKSORMTF-XLFHBGCDSA-N 365.246 3.736 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3ccc(OC)cc13)CC2=O 587483862 MPTOIOJFUCTBCV-GOSISDBHSA-N 352.390 3.936 0 1 FHAF FC(F)(F)Oc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br 586912009 NZKQZQNQJVLHSC-LURJTMIESA-N 351.122 3.728 0 1 FHAF Oc1nc2cc3nc(-c4ccnc(Br)c4Cl)[nH]c3cc2[nH]1 587007210 OFTSDOJJDFYYOM-UHFFFAOYSA-N 364.590 3.623 0 1 FHAF NC(=O)/C(=C\c1ccccc1O)c1nc(-c2ccc(F)c(F)c2)cs1 587921951 DIPQYBHXHNOXOL-KPKJPENVSA-N 358.369 3.820 0 1 FHAF COc1ccc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c(N)c1OC 963105009 MMBXGJGUOBVKNX-VFNWGFHPSA-N 356.441 3.709 0 1 FHAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2[nH]c(=O)oc2c1 13761445 CNKACCQCBCIPTI-INIZCTEOSA-N 366.461 3.724 0 1 FHAF C[C@H](N=O)c1ccc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1 169694303 CLJYQQITDCCBCJ-ZJUUUORDSA-N 368.347 3.930 0 1 FHAF Nc1ncccc1-c1cc(Cc2ccc(OCc3ccncc3)cc2)no1 113993145 WAPFQQNZQQEXHJ-UHFFFAOYSA-N 358.401 3.884 0 1 FHAF C[C@@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCc2ccccc2C1 2356303587 YSNARUSTBLLHJZ-CYBMUJFWSA-N 366.392 3.733 0 1 FHAF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@]32O)C1 2356315764 JQRLVXRTTRZQBF-KGTMTUTGSA-N 350.499 3.702 0 1 FHAF C[C@@H]1CCCN([C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)C1 4564895 XEGOBYSRTDSXFT-QRWLVFNGSA-N 352.434 3.827 0 3 FHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc2ccccc2o1 117590395 QJVARQHJWOFLLJ-UHFFFAOYSA-N 365.433 3.944 0 1 FHAF Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1 53184753 MHJWMIITIMUUKU-UHFFFAOYSA-N 352.869 3.848 0 1 FHAF in-vitro Cc1cc(NC(=O)C(=O)c2cn(Cc3ccsc3)c3ccccc23)on1 29416189 BXFZYMUGBZXOAZ-UHFFFAOYSA-N 365.414 3.869 0 1 FHAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)C5CC5)sc4C[C@@]3(C)CC[C@H]12 2356590748 ZVTRWKMQEMZCDI-AOIKWFSPSA-N 374.506 3.745 0 1 FHAF Cn1c(=O)n(C)c2cc(Cn3cnc(-c4ccccc4)c3C3CC3)ccc21 65398675 QPHGPLXBBXVXNL-UHFFFAOYSA-N 358.445 3.666 0 1 FHAF O=C(CNC(=O)C1CCCC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 30891007 ZQSUXBCZQKUSDE-HXUWFJFHSA-N 370.880 3.852 0 1 FHAF CCc1nc(-c2cnc(OC)nc2OC)c(CC)nc1NC(CC)CC 72177956 VQMAVTUQHOSARA-UHFFFAOYSA-N 359.474 3.676 0 1 FHAF COc1cccc(OC)c1-c1cnnc(N[C@H](C)c2nc(C)c(C)s2)n1 95581090 YCEJJVVFPCHCCZ-LLVKDONJSA-N 371.466 3.802 0 1 FHAF CC[C@@H]1CN(C(=O)C(C)(C)C)CC[C@@H]1CC(=O)NCc1ccc(OC)cc1 25430062 ONVQFXOABOEKRL-QZTJIDSGSA-N 374.525 3.622 0 1 FHAF biogenic O=C(Cc1cccc(C(F)(F)F)n1)c1cc(Oc2cncnc2)ccn1 96178203 CTISPPKREWFCDI-UHFFFAOYSA-N 360.295 3.503 0 1 FHAF O=C(NCc1ccsc1)N1CCC[C@H]1c1nc(Cc2ccccc2)no1 299833679 ZFTMUFKXDDWJSM-INIZCTEOSA-N 368.462 3.769 0 1 FHAF Nc1nn2c(=O)cc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1-c1ccccn1 653666159 NIQFHPOVYFJXQE-UHFFFAOYSA-N 372.215 3.641 0 1 FHAF CCn1nccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587761154 SQQPRUZGUKLIGK-QLJPJBMISA-N 352.251 3.602 0 1 FHAF COc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403844 RYJLVJCJUIZOAB-OAQYLSRUSA-N 369.417 3.701 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1COCc1ccccc1 587591028 FIJUHKHQJJKFQS-UXHICEINSA-N 362.381 3.939 0 1 FHAF C[C@H](CSc1ccc(F)cc1)c1nc2c(S)nc(S)nc2[nH]1 587170980 HOUGAWYOENWRJO-SSDOTTSWSA-N 352.485 3.965 0 1 FHAF CC(=O)Oc1c(-c2ccc(Cl)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649589 QLCQAAQRURTEFB-UHFFFAOYSA-N 363.822 3.817 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(C3OCCO3)s1)CC2=O 587493280 CZTOIZAREBLPMM-CQSZACIVSA-N 361.419 3.553 0 1 FHAF Cc1nn(C)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587756472 LMDBPMWAWCUNHA-XLFHBGCDSA-N 366.278 3.736 0 1 FHAF c1ccc2c(c1)CC[C@]21C[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 586892380 WWWYSHSWVWPXKS-XXBNENTESA-N 359.473 3.767 0 1 FHAF CCc1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587793236 QXGUTHNIXDEKLH-ZKANADHPSA-N 352.251 3.806 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cc(F)ccc1F)CC2=O 587468475 XDCXTUGSOHCKEA-IBGZPJMESA-N 362.328 3.568 0 1 FHAF COCCCN1CCc2ccc(OC)cc2[C@H]1c1nc2c(s1)CCC2 961326187 RLLZINROYXTYNT-IBGZPJMESA-N 358.507 3.624 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]31CC[C@@H]2SCCS[C@H]21 963061942 ZQPYXHOFPHHLLU-IPELMVKDSA-N 358.532 3.595 0 1 FHAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccccc3OC)nc21 5841952 QEBNOXDINMGECG-UHFFFAOYSA-N 360.417 3.900 0 1 FHAF O=C1CS[C@@H](c2cccc(Br)c2)N1c1ccccc1O 169342616 BPKURDWYCKTPOY-HNNXBMFYSA-N 350.237 3.933 0 1 FHAF CN(C)CCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1 167566144 XTIZXQIPSCVWSA-UHFFFAOYSA-N 362.433 3.658 0 1 FHAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2ccccc2C)C1=O 200050353 TYUPNNLHNCAQAZ-FQEVSTJZSA-N 350.462 3.615 0 3 FHAF CN1C(=O)c2cccc3c(NS(=O)(=O)c4c(F)cccc4F)ccc1c23 1857567756 IPIGJQMBDDKXMY-UHFFFAOYSA-N 374.368 3.509 0 1 FHAF O=C(NCCCc1ccc(Cl)cc1)c1cc2ccc(O)cc2oc1=O 1857605917 UEEDRTHTJNCXBF-UHFFFAOYSA-N 357.793 3.515 0 1 FHAF CN1[C@H]2CC[C@@H]1CC(NC(=O)N1C[C@@H](c3ccccc3)c3ccccc31)C2 3783657 LSBPGQZSPXOWCV-QYYYHEGRSA-N 361.489 3.973 0 1 FHAF Cc1nc2ccccc2c2oc(C(=O)NC[C@H]3COc4ccccc4O3)cc12 4902102 QQTLLZHRWJKKQK-AWEZNQCLSA-N 374.396 3.859 0 3 FHAF CCNC(=O)c1ccc2c(c1)sc1nc(-c3cccc(OC)c3)cn12 6748737 QILCZUVAPLFFJQ-UHFFFAOYSA-N 351.431 3.974 0 1 FHAF Brc1ccc2ccn(CCN3CCN4CCCC[C@H]4C3)c2c1 58668854 BLSQYWMYZDWZGN-KRWDZBQOSA-N 362.315 3.574 0 1 FHAF Cn1c([S@@](=O)Cc2nc3ccccc3n3cccc23)nc2ccccc21 28639059 DFKJQNCYYMIWOA-AREMUKBSSA-N 360.442 3.682 0 1 FHAF CN(C)C(=O)C[S@@](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 66077342 DCLSCDCSQMQJAA-QHCPKHFHSA-N 370.301 3.920 0 1 FHAF COc1cc(COC/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1O 214628185 WHWQODMTPANPLY-WAYWQWQTSA-N 360.406 3.657 0 1 FHAF CCOC(=O)[C@@H]1CCCCN1Cc1coc(-c2ccccc2OCC)n1 72186580 IFQPPPYLBSKHEO-KRWDZBQOSA-N 358.438 3.658 0 1 FHAF CCN(CC)C(=O)c1c(OC(C)C)c2cccnc2n2c(C(C)C)nnc12 40897963 WUOFIEAACFEBTF-UHFFFAOYSA-N 369.469 3.670 0 1 FHAF NC(=O)c1ccccc1Cn1c2c(c3cccc(C(=O)O)c31)CCCCC2 40898685 XCGCWSHXAKRDTN-UHFFFAOYSA-N 362.429 3.756 0 1 FHAF O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1 43021975 DEPZVFJRGVKNJM-UHFFFAOYSA-N 359.832 3.737 0 1 FHAF CCNc1nc(N2CCc3ccccc3C2)nc2cc(OC)c(OC)cc12 82131457 WTPVGLOFHHWVRN-UHFFFAOYSA-N 364.449 3.642 0 1 FHAF CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 221810572 RGOMECWMAXEGDR-UHFFFAOYSA-N 358.492 3.542 0 1 FHAF COCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccccc2)n1 82132796 YRILGUQPCLGFGD-QAPCUYQASA-N 368.481 3.510 0 1 FHAF O=c1c2sc3ncnc(NC4CC4)c3c2ncn1-c1ccc(Cl)cc1 95558639 XTABZFCMONWMIM-UHFFFAOYSA-N 369.837 3.618 0 1 FHAF O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H](O)C(Cl)(Cl)Cl 68586559 UYIBZMPYRKEOOD-ZETCQYMHSA-N 351.539 3.516 0 1 FHAF biogenic O=C(N[C@H](Cc1cc2ccccc2[nH]1)C(=O)O)c1ccc2ccccc2c1 299828512 JRJZXYIYEXKPQP-HXUWFJFHSA-N 358.397 3.747 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCN(C)CC2)N1 587765751 DEZHQEWKEUJDFF-DIFFPNOSSA-N 355.295 3.679 0 1 FHAF Cc1cnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2c1 587001502 RTEDKDAPGGPUTA-ZDUSSCGKSA-N 370.254 3.753 0 1 FHAF c1ccc(-c2csc(=Nc3cccc(-c4nc5ncc[nH]c-5n4)c3)[nH]2)nc1 587021115 JVWXUUAZWMPHAU-UHFFFAOYSA-N 371.429 3.656 0 1 FHAF O=S(=O)(Cc1ccccc1-c1nc2ccc(O)cc2[nH]1)c1ccccc1 586921120 CPXDGMZMAUOBTM-UHFFFAOYSA-N 364.426 3.909 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(O)c(Br)c1)O2 587381591 KASJPOFWOSAYEO-AWEZNQCLSA-N 366.186 3.891 0 1 FHAF CCCCOC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349067 PERTVXMKQWLJSA-GHTZIAJQSA-N 372.392 3.992 0 1 FHAF CN(C)CCOc1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 587781100 PEZOPVWVXVQEND-RMKNXTFCSA-N 351.450 3.733 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(F)F)N1 587719590 LHSWIYXBTOESCC-NXSYQRQQSA-N 350.178 3.562 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OC(C)=O)c1)CC2=O 587475706 CCUQBRYXJGSDHR-IBGZPJMESA-N 370.401 3.985 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC(c1ccc(O)cc1)(c1ccc(O)cc1)O2 587403107 FNSXWTPCIUJAPA-UHFFFAOYSA-N 361.397 3.897 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CC)(c1c[nH]c(C(=O)OC)c1)CC2=O 587479661 ADZNAZQOSAALLB-FQEVSTJZSA-N 357.406 3.730 0 1 FHAF Cc1c(Br)cnc2[nH]c(C(C[C@@H]3CCCN3)=C(F)F)nc12 587089093 YCJZPJNNBXLRDC-QMMMGPOBSA-N 357.202 3.779 0 1 FHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 587785821 OYTQZYDFHGQNSE-RYUDHWBXSA-N 372.222 3.664 0 1 FHAF O=C1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 587607584 IBWHOVRDSXUKAM-KNQAVFIVSA-N 374.348 3.558 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(Cl)cc1OC)[C@@H](C2)C3=O 587424222 YDTXGTCFRVEZCY-HXPMCKFVSA-N 360.793 3.855 0 1 FHAF CC(C)(C)C[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603889 QAPGVLAUJMTYHK-FOIQADDNSA-N 356.374 3.613 0 1 FHAF Cc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1C 587590089 XRANRXMYOAUGNM-DYESRHJHSA-N 362.385 3.810 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cl)c2ccccc21 587463366 YBESUXIEWFIGMY-LJQANCHMSA-N 357.793 3.706 0 1 FHAF C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517241 JROHGBULBLZNSD-ZSEKCTLFSA-N 357.450 3.909 0 1 FHAF CCOC(=O)CCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599570 XXPPNIYANSARKR-WIYYLYMNSA-N 370.401 3.846 0 1 FHAF Nc1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577307 JZXXQUDGUXLZOQ-UGKGYDQZSA-N 359.381 3.778 0 1 FHAF CCOC(=O)Cn1c(C)cc2c1CCC[C@]21NCCc2ccc(F)c(C)c21 962294308 BQEWMLMTYDWCGN-QFIPXVFZSA-N 370.468 3.533 0 1 FHAF C[C@]1(c2ccc(S)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732030 VZYFJHQOIILLOG-NVXWUHKLSA-N 351.393 3.885 0 1 FHAF O[C@H](COc1ccccc1[C@H](O)CCc1ccccc1)CN1CCCCC1 13529037 FZGNNKKEFBVGIM-RBBKRZOGSA-N 369.505 3.578 0 1 FHAF CCN1C=C(C(=O)O)[C@H](c2ccccc2Cl)C(C(=O)OC(C)C)=C1C 13553480 BWWRVVQUGBYQAL-KRWDZBQOSA-N 363.841 3.953 0 1 FHAF Cc1ncoc1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 15079514 MZDHGLVMJLBRNV-MRXNPFEDSA-N 350.422 3.612 0 3 FHAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccncc2)C2=C(O)CCCC2=N1 19761218 WBAMGZSSYGJFAC-HNAYVOBHSA-N 368.433 3.612 0 1 FHAF Nc1ccc2c(c1)[C@H](c1[nH]c3ccc(Br)cc3c1N=O)C(=O)N2 169722507 IAIAMJGKNFAHJZ-CYBMUJFWSA-N 371.194 3.995 0 1 FHAF O=C(CCc1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 206058856 PAQLEULJWUETTM-WMLDXEAASA-N 372.827 3.673 0 3 FHAF Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCCCCCN)c1 29388791 GXMOUKYEPXHLFY-UHFFFAOYSA-N 362.495 3.694 0 1 FHAF Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3SCCN32)cc1 20069564 ORIMSNVFEJMJDR-UHFFFAOYSA-N 367.318 3.981 0 1 FHAF CNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccccc2o1 53246903 ZJLJNEZUECVDBB-UHFFFAOYSA-N 374.448 3.720 0 1 FHAF CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28109578 CSWCIBOMUHUPBF-HLVPYZJISA-N 351.874 3.912 0 1 FHAF Brc1cccc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)c1 28653648 PJWYGBZUVBVWTP-QZTJIDSGSA-N 368.315 3.652 0 1 FHAF O=C(O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNCCNc1ccccc1 26498182 HMZUDQZKIYDION-YVDICRITSA-N 372.509 3.683 0 1 FHAF CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 28331055 NGYQNOJBJMUUDF-UHFFFAOYSA-N 352.459 3.597 0 1 FHAF COCCCN(CC[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)NCCCc1ccncc1 64637981 VQANCEKQLAYJEV-HBMCJLEFSA-N 373.541 3.889 0 1 FHAF COC(=O)c1c(OC)cc2oc3c(C(=O)O)c(C)cc(OC)c3c2c1C 14636953 WBIQYHZEYQDKCL-UHFFFAOYSA-N 358.346 3.705 0 1 FHAF biogenic COc1ccc2nnc3c(C)nc(-c4ccc(Cl)cc4Cl)n3c2n1 84687883 AGPUZKAVMNQKCV-UHFFFAOYSA-N 360.204 3.963 0 1 FHAF CC(C)=CCOc1cc(O)ccc1-c1cc(=O)c2c(O)cc(O)cc2o1 238773914 QOWQMIILRPYNAS-UHFFFAOYSA-N 354.358 3.922 0 1 FHAF Cc1ccc(F)c2[nH]c3c(c12)CN(C(=O)c1cc(C(F)(F)F)n[nH]1)CC3 2382223764 NLTIRULISDKNKR-UHFFFAOYSA-N 366.318 3.556 0 1 FHAF COc1ccsc1-c1cc(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)no1 653702292 QYPJFONZYNHETK-NYYJTOMGSA-N 360.479 3.585 0 1 FHAF O=C(CN1CCC(Oc2ccccc2)CC1)c1c[nH]c2ccc(O)cc12 653716244 DPVPEDWZWYZSSH-UHFFFAOYSA-N 350.418 3.600 0 1 FHAF Brc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cn1 587016332 KBJOHPJTBUJKCE-SNVBAGLBSA-N 351.229 3.695 0 1 FHAF COc1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cn1 587191259 SLXDOCIQBWFNFE-KRWDZBQOSA-N 368.437 3.923 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1[nH]c(-c4ccc[nH]4)cc1OC)[C@@H](C2)C3=O 587438033 LGZYSEGNCRVOEG-YUNKPMOVSA-N 350.374 3.516 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O 587429100 SISYIXIHOYYBLJ-KKSFZXQISA-N 364.376 3.817 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OC(F)F)[C@@H](C2)C3=O 587420941 IHHWAACJZRNBOU-SJCJKPOMSA-N 362.328 3.794 0 1 FHAF C[C@H](n1cncn1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337538 BCCBASAEVITFFX-GCKAQTDUSA-N 367.380 3.502 0 1 FHAF COc1ncccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587766280 GALMQRSCRMQMQN-BMLIUANNSA-N 365.246 3.790 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(C)nc1Cl)[C@@H](C2)C3=O 587422635 RFFGRLGVKLUWRW-XPTSAGLGSA-N 351.189 3.589 0 1 FHAF COC(=O)c1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995579 KUTIOWMDLNUCMH-UHFFFAOYSA-N 374.238 3.767 0 1 FHAF CCCOc1ccccc1[C@]1(CN)CC(=O)c2ccc(O)c(CCC)c2O1 587473608 YLOVTQZOPXOVKN-JOCHJYFZSA-N 369.461 3.953 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Cl)[C@@H](C2)C3=O 587422773 QPZZKQRRZPUPEN-SDBXPKJASA-N 372.730 3.590 0 1 FHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587162877 FQHNZAIDSJTVLD-SNVBAGLBSA-N 373.741 3.767 0 1 FHAF O=C(O)c1cccc2c1CCN[C@]2(C(F)(F)F)C(Cl)(Cl)Cl 963124393 QDTVODRDLCLFMT-JTQLQIEISA-N 362.562 3.658 0 1 FHAF COc1cc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)cc(O)c1OC 963087582 DAUBQWZOFAGRFH-IIBYNOLFSA-N 357.425 3.833 0 1 FHAF Cc1cnc([C@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)[nH]1 962950973 FIHMUFDVODPHIR-QGZVFWFLSA-N 365.399 3.652 0 1 FHAF CSc1nccc([C@H]2c3ccsc3CCN2Cc2cccnc2)n1 962994392 CXWOEUNBCWPTHQ-QGZVFWFLSA-N 354.504 3.803 0 1 FHAF COc1ccc([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2=O)c(O)c1 13416220 LOENFUAFIZVSTM-INIZCTEOSA-N 352.386 3.944 0 1 FHAF biogenic CCCC(=O)c1c(O)c2c(c3c(CCC)cc(=O)oc13)O[C@H](C(C)(C)O)C2 13429609 JTNLBEFPCCWLNM-AWEZNQCLSA-N 374.433 3.508 0 1 FHAF endogenous,in-man CC1(C)C=Cc2cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc(O)c2O1 15119492 FIKLOAGOJKGOFT-UHFFFAOYSA-N 352.342 3.761 0 1 FHAF biogenic,in-vitro N=C(N)Nc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)no2)cc1 169329640 NVLHWASCRHRXEW-UHFFFAOYSA-N 355.785 3.553 0 1 FHAF O=C1c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)C[C@H]1C1CCCC1 169345787 IWHPTUQOOXWZGU-JTQLQIEISA-N 367.236 3.631 0 1 FHAF O=C1Cn2c(nc3ccccc32)-c2ccc(NC(=O)c3ccccc3)cc2N1 1857576974 JHJWFPUXIOPLDN-UHFFFAOYSA-N 368.396 3.908 0 1 FHAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2CCOc1ccccc1 6917806 MCTBOZYEYKFCMO-UHFFFAOYSA-N 359.429 3.789 0 1 FHAF O=C(N1CC[C@@]2(c3c[nH]c4ncccc34)C[C@H]12)C1(c2ccc(F)cc2)CC1 101528793 VVJOKHURAIJLBE-AVRDEDQJSA-N 361.420 3.676 0 1 FHAF COc1ccc2c(=O)cc(/C=C/c3cc(OC)c(OC)c(OC)c3)oc2c1 103171691 ZIELBSWDVHGGFO-AATRIKPKSA-N 368.385 3.998 0 1 FHAF Fc1ccc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccncc3)cc2)cc1 100107017 HSZPJQBHNMEWDK-JKHIJQBDSA-N 359.448 3.828 0 1 FHAF CN(c1ccc(N)cc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 28642316 FLUKUMYHKJKHHU-UHFFFAOYSA-N 364.776 3.766 0 1 FHAF CCCNC(=O)[C@]1(C)CCCN(C(=O)COc2ccc(C(C)(C)C)cc2)C1 61904834 BILQXYITGLKRCG-JOCHJYFZSA-N 374.525 3.518 0 3 FHAF CC(C)(C)NC[C@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 28092455 NNIJRQRELAVKTJ-HNNXBMFYSA-N 371.506 3.933 0 1 FHAF CN(C)CCNC(=O)c1cccc2ccc(-c3cccc(Cl)c3)nc12 27325825 ACCGKXRFFKMECH-UHFFFAOYSA-N 353.853 3.847 0 1 FHAF COc1ccc(Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)s2)cc1 71317819 FAFBZUSJMOQCOT-UHFFFAOYSA-N 373.434 3.983 0 1 FHAF Cc1ncc([C@@H](CNC(=O)c2c(F)cccc2Cl)c2ccncc2)cn1 217373232 XXMSRMYYFQGTNN-HNNXBMFYSA-N 370.815 3.534 0 1 FHAF CCN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82134062 LTYXYSKFRBVJSI-HZPDHXFCSA-N 352.482 3.718 0 1 FHAF CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(Cc3ccccc3)c21 40952292 KZDYODNYDBKAPP-UHFFFAOYSA-N 372.783 3.770 0 1 FHAF COc1cccc(-c2cccc([C@@]3(C4CCOCC4)N=C(C)C(N)=N3)c2)c1 95572230 INFFTYDAVRHZHS-QFIPXVFZSA-N 363.461 3.773 0 1 FHAF C[C@@H]1c2c[nH]nc2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(F)cc1 96906441 KJJTYBGVOOHTTI-SNVBAGLBSA-N 361.373 3.625 0 1 FHAF C[C@@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2cccnc2)nc2ccccc21 95602358 NETBHLJARBBERR-AWEZNQCLSA-N 367.412 3.944 0 3 FHAF O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1cc(Cl)cc(Cl)c1 473135221 MPECPOWHZVAYGQ-UHFFFAOYSA-N 363.248 3.524 0 1 FHAF Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)C4CCCCC4)cc3)ccc12 299826397 ZRSDWTPAAHGILR-UHFFFAOYSA-N 370.478 3.887 0 1 FHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587927322 PDDLQEHJFLZTJS-OAHLLOKOSA-N 367.449 3.824 0 1 FHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5cn[nH]c5cc4[nH]3)cc2N1 587122166 AJUIBNBDPDMIFF-WPPNPWJKSA-N 361.331 3.610 0 1 FHAF CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587439464 AZSVUUBPSUNLCU-QVKFZJNVSA-N 354.402 3.981 0 1 FHAF COc1cc2c3c(c1)OC1(CCC(O)(c4cccc(F)c4)CC1)[C@@H](C2)C3=O 587427581 IVZMFRWCDNVDIA-YTXWROIDSA-N 368.404 3.782 0 1 FHAF CS(=O)(=O)c1cccc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 586925814 KFMDPUAECUYMRQ-UHFFFAOYSA-N 369.215 3.535 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(C(=C(C)C)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587453551 PBAXTBQQZLPAJR-YCRPNKLZSA-N 350.370 3.730 0 1 FHAF COc1ccc2c(C)c(CCc3nc4ccc(C)nc4[nH]3)c(=O)oc2c1C 586918839 QONMRKHERAQQLR-UHFFFAOYSA-N 363.417 3.783 0 1 FHAF CCOC(=O)[C@@H]1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587797976 NIBOZFRGEMAFLZ-BFCNOCSMSA-N 370.262 3.681 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)no1 587862169 GIBATRYIXXMBKX-UHFFFAOYSA-N 351.284 3.562 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cccc(C)c1)[C@@H](C2)C3=O 587426888 ACTPXNPUZQOPIJ-KKSFZXQISA-N 351.402 3.539 0 1 FHAF O=C(NCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1cc2c(s1)CCC2 587035411 UBCMYWRPVCWLQG-UHFFFAOYSA-N 367.808 3.975 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c3c(c1)OCCO3)CC2=O 587494135 XIFCEKALIBTXRK-KRWDZBQOSA-N 370.401 3.831 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2cncc(Cl)c2[nH]1)C[C@@H]1CCCO1 587196975 FCEJYUSSSSOESB-NSHDSACASA-N 366.849 3.527 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 587232082 SNZDGOJIMMOXQR-STQMWFEESA-N 369.387 3.618 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)c3ccccc32)N1 587822794 MKPWFBUEDUDGQA-XTZNXHDOSA-N 360.226 3.952 0 1 FHAF CCOC(=O)c1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167601 WTHQYDQYIBTACH-KTKRTIGZSA-N 353.353 3.531 0 1 FHAF Cc1ccsc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276429 OOJVAKPUPKXARG-UHFFFAOYSA-N 352.209 3.684 0 1 FHAF COC(=O)C(C)(C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353120 QMANYOIVUDJGIN-DYESRHJHSA-N 372.392 3.848 0 1 FHAF C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962898966 PHKXMCOORAMVNS-YOEHRIQHSA-N 353.315 3.707 0 1 FHAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@]21CCN[C@@H]2CCCC[C@H]21 962709992 OZWQNKNSTHFHML-FCXXMXSZSA-N 360.542 3.937 0 1 FHAF COc1cc(C(=O)N[C@H](C)Cc2ccc(F)cc2)ccc1-c1cn[nH]c1 1772602102 CIXVBMOGRAAGGW-CYBMUJFWSA-N 353.397 3.585 0 1 FHAF COc1cccc(-n2nc3c4ccc(Br)cc4[nH]cc-3c2=O)c1 1772593449 LBGABSSWMJSJLZ-UHFFFAOYSA-N 370.206 3.590 0 1 FHAF O=C(CNCC1(O)CCCC1)N1CCc2ccccc2[C@H]1C1CCCCC1 201359640 YQBZAZCCJGCVGK-JOCHJYFZSA-N 370.537 3.587 0 1 FHAF COc1ccc(CNC(=O)Nc2nc3ccc(C(C)=O)cc3s2)cc1 1857553772 NQQUUDPBGSJQNX-UHFFFAOYSA-N 355.419 3.829 0 1 FHAF Clc1ccc(-c2nc3cnc(C4CC4)cn3c2CN2CCOCC2)cc1 1857655981 ACBPNASACKZFEB-UHFFFAOYSA-N 368.868 3.759 0 1 FHAF CC(C)=CCOCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O 27649724 RBWGESXLGALITQ-UHFFFAOYSA-N 370.493 3.808 0 1 FHAF CO[C@]1(C)CC=C[C@](C)(O)CCC2=C(C)CO[C@H]2C=C(C)CC[C@@H]1O 2356790217 FHTQNMOZPCOWNA-XSDIEEQYSA-N 350.499 3.685 0 1 FHAF COC(=O)c1oc2ccccc2c1NC(=O)CSc1ccc(OC)cc1 64513634 AZERXTFLIQCUBE-UHFFFAOYSA-N 371.414 3.959 0 1 FHAF CC1CCN(c2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)CC1 82140006 BFIFKMLXDMSQDB-UHFFFAOYSA-N 368.456 3.755 0 1 FHAF Fc1ccc([C@H](Cc2ccccc2OC(F)F)N2CCNCC2)cc1 49037070 IAMMWWXBTYJBCX-KRWDZBQOSA-N 350.384 3.616 0 1 FHAF in-vitro COc1cccc(-c2cccc([C@]3(c4ccncc4)N=C(C)C(N)=N3)c2)c1 95579179 JGYNJPZQUBJSBG-JOCHJYFZSA-N 356.429 3.790 0 1 FHAF O=C(Nc1cc2[nH]nc(C3CC3)c2cn1)N[C@H]1CCCOc2ccccc21 261115751 ISKZTXHOIMKRAU-HNNXBMFYSA-N 363.421 3.871 0 1 FHAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587117950 YHGSIBZEAYATEM-UHFFFAOYSA-N 369.734 3.520 0 1 FHAF CCc1cc(OCc2nc3c(S)nc(S)nc3[nH]2)ccc1Cl 587052665 HCEOQZWZQAYSOG-UHFFFAOYSA-N 352.872 3.725 0 1 FHAF CC[C@@]1(Cc2nc3cc(C(=O)OC)ncc3[nH]2)CC(=O)c2ccccc2C1 587962727 ZMPYHEZQHYXAQW-NRFANRHFSA-N 363.417 3.513 0 1 FHAF CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587457038 ZCECGOGVPLHFAM-NJNPRVFISA-N 366.413 3.526 0 1 FHAF Oc1c(Br)ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587037081 RNSADPDRFIUKEF-LLVKDONJSA-N 365.252 3.949 0 1 FHAF Cc1[nH]nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587693847 FVBPOQSDWRFKOJ-CAAJLBCPSA-N 358.642 3.897 0 1 FHAF Oc1nc(O)c2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2n1 587123521 DHOUKEUPUKAGEG-ZZXKWVIFSA-N 354.313 3.546 0 1 FHAF CCn1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587754594 FFUQIHAVHUIHDB-BTDLBPIBSA-N 366.278 3.911 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCN(C(=O)OC(C)(C)C)C1)O2 587396521 UCPJRQRLMJTIMU-FQEVSTJZSA-N 360.454 3.702 0 1 FHAF Oc1nc2cc3nc(-c4c(F)c(F)c(S)c(F)c4F)[nH]c3cc2[nH]1 587135343 XHPAWGAAGRDIOM-UHFFFAOYSA-N 354.288 3.657 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC(F)F)c1)[C@@H](C2)C3=O 587424017 WGIAZGPTLHBFGE-KPZWWZAWSA-N 362.328 3.794 0 1 FHAF COc1ccc([C@@H](O)[C@H](C)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587938148 UALGXVJTEMAJQY-GYKQLYQFSA-N 354.303 3.965 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c[nH]c2ncc(Cl)cc12 963636489 RJYANNPEOONHOL-MGNBDDOMSA-N 357.841 3.857 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(N)s3)cc2)C[C@H]2CC[C@H]1N2C 168407894 RHXJIBSDVXHTMJ-NNFUDEMPSA-N 356.491 3.737 0 1 FHAF O=C(O)/C=C/c1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1 1857652899 HGEVPJLGDULKJE-FNORWQNLSA-N 369.760 3.797 0 1 FHAF COC(=O)[C@@]1(C(F)(F)F)[C@@H]2C=C[C@@H](C2)N1c1nc2ccccc2s1 4597938 KTAFDVDXSBFXOK-HFBDOXOYSA-N 354.353 3.535 0 1 FHAF O=C(CSc1c2c(nc3ccccc13)CCCC2)NCc1cccnc1 4922212 FQRFZPJVLLKRII-UHFFFAOYSA-N 363.486 3.917 0 1 FHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc2cc[nH]c2c1 117588095 WDVSVNJGXVTHPS-UHFFFAOYSA-N 364.449 3.679 0 1 FHAF OCCN1N=C2/C(=C/c3ccccc3)CSC[C@H]2[C@@H]1c1ccccc1 29254979 CXMODPOEHDEXPR-HIZGXPAQSA-N 350.487 3.838 0 1 FHAF COc1ccc(C2=Nn3c(nnc3-c3nc(C(C)C)cs3)SC2)cc1 64446457 QQYCBIWSLPMRNZ-UHFFFAOYSA-N 371.491 3.892 0 1 FHAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C)nn1C 26671296 NWHPEYHDCUNBGI-UHFFFAOYSA-N 350.444 3.518 0 1 FHAF COC(=O)[C@H](CCO)CC[C@@H]1C(C)=C[C@H](O)[C@H]2C(C)(C)CCC[C@]12C 2356463273 VTXPISKEMQUXGD-VPMQLGLMSA-N 352.515 3.708 0 1 FHAF CCCN1C(=O)c2ccccc2[C@]1(OCCCO)c1ccc(Cl)cc1 28132017 GMBDGYALRVIIKT-HXUWFJFHSA-N 359.853 3.806 0 1 FHAF O=C(c1nc2ccc(O)cc2[nH]1)N1CCC(Cc2cccc(F)c2)CC1 36294449 BCPZLECCLQSTRW-UHFFFAOYSA-N 353.397 3.503 0 1 FHAF CC(=O)N1Cc2ccccc2C[C@@H]1CN1CCC2(CCc3ccccc32)CC1 35950606 XSRIHAZBRFZRIH-HSZRJFAPSA-N 374.528 3.940 0 1 FHAF O=C(C1CC1)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72141525 UDQBKONFZICUMM-HXUWFJFHSA-N 369.896 3.815 0 1 FHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](CC(=O)O)(c1ccccc1)C(=O)N2 219445989 AEUFXMTXVQRYML-OAQYLSRUSA-N 362.385 3.671 0 1 FHAF CN1C(=O)[C@H](Cc2cccc3ccccc23)NC(=O)c2cc(Cl)ccc21 40556663 IFIWUPMGKRHWQF-SFHVURJKSA-N 364.832 3.811 0 1 FHAF COc1ccc(-c2cc(NC(=O)CCCCN3CCCCC3)n[nH]2)cc1 43197519 BGJJEMSVLGIVLI-UHFFFAOYSA-N 356.470 3.680 0 1 FHAF C[C@@]1(c2cc(N[C@@H]3CCc4cc(Cl)cnc43)ccc2F)COCC(N)=N1 143113577 JQWLQZLXFFDJIN-APWZRJJASA-N 374.847 3.576 0 1 FHAF CS(=O)(=O)c1ccc(N2CCN=C2c2ccc(Cl)c(Cl)c2)cc1 299834793 ZNAORRVNWNZCTM-UHFFFAOYSA-N 369.273 3.664 0 1 FHAF COc1cc(CC/C=C/C=C/C(=O)N2CCCCC2)cc(OC)c1OC 299820236 CSGQUJPFTOPDCF-CGJKORLASA-N 359.466 3.770 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4cccs4)nc1)[C@@H](C2)C3=O 587451299 MUEPHFBNIXQAFN-UGSOOPFHSA-N 350.399 3.702 0 1 FHAF C[C@]1(Cn2cccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342933 QUCSTASRPGSRMG-AZUAARDMSA-N 352.365 3.546 0 1 FHAF COCCn1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587513998 CYOJORTXIZJBNO-QFIPXVFZSA-N 368.477 3.906 0 1 FHAF CC(C)([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N1CCCCC1 587591195 DWOLMCUEVCWDPA-RXVVDRJESA-N 367.445 3.987 0 1 FHAF CCN1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C1 587762294 SDWVKUHNWXIRMB-PRXAMGSTSA-N 355.295 3.679 0 1 FHAF Cc1c(Cl)ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587162356 BKATXUXXTLUILI-UHFFFAOYSA-N 370.815 3.942 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(s1)SCC(=O)N3)O2 587415774 XEPHMZKEEWMKOX-KRWDZBQOSA-N 360.460 3.564 0 1 FHAF CC(C)n1ccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587754308 LJZKYAQYZHAKBV-MEBBXXQBSA-N 352.251 3.989 0 1 FHAF CSc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587185124 QGPXGFCTJIXVJF-UHFFFAOYSA-N 367.215 3.951 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CCc1ccc(OC)c(O)c1)[C@@H](C2)C3=O 587445254 XZFGCJRRKPQNAD-YCRPNKLZSA-N 354.402 3.548 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1Cc2ccccc2O1 587872317 UIQNQNLAVRUEOF-SFHVURJKSA-N 352.365 3.732 0 1 FHAF COC(=O)[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1(C)C 586992744 SUIYTQXDHCZNSJ-SFHVURJKSA-N 359.381 3.700 0 1 FHAF COc1ccc(S(=O)(=O)Cc2nc3cc4ccccc4cc3[nH]2)cc1 586920245 GKWYBGHWEVYGKR-UHFFFAOYSA-N 352.415 3.699 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(C(=O)O)(c3cccc(Cl)c3)C1)O2 587377036 FZXQSBHOXLJIKE-UHFFFAOYSA-N 371.820 3.751 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2NC=Cn3cccc32)N1 587775312 ZBSDLDKKSKRMGR-YKJXYISPSA-N 362.246 3.738 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N3CCCC3)nc1Cl)O2 587412690 KAKJWQNJAAJCIU-ZDUSSCGKSA-N 363.870 3.994 0 1 FHAF CCOC(=O)CCOCCCOCCc1nc2cc3ccccc3cc2[nH]1 587570676 XBVMHABMJUQNLD-UHFFFAOYSA-N 370.449 3.635 0 1 FHAF CC1(C)OC(=O)C(c2nc3ccc(Sc4ccccc4)cc3[nH]2)=C1N 587255176 GZBIBUNRXOANNY-UHFFFAOYSA-N 351.431 3.719 0 1 FHAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)n1 587081013 ZLACZDYPNGSXHI-ZDUSSCGKSA-N 373.888 3.883 0 1 FHAF COc1ccc2c(c1OC)[C@@](C)(c1cccc3ncoc13)N(C)[C@H](C)C2 962629786 PYYQLQNRBHCVKG-LRTDBIEQSA-N 352.434 3.985 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(Br)cn1 963062781 XMZRUYJWXPMTOM-SFHVURJKSA-N 370.250 3.636 0 1 FHAF c1ccc(-c2nc3n(c2[C@H]2NCCc4nc5ccccn5c42)CCS3)cc1 962989456 QENWHAUXJJCELR-SFHVURJKSA-N 373.485 3.539 0 1 FHAF CC(C)(C)[C@]1(CO)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962956745 LMSGXDVYBOZDIK-GOSISDBHSA-N 357.416 3.591 0 1 FHAF COC(=O)c1csc([C@@]2(C)NCCc3c(OC)ccc(Cl)c32)c1 963269053 DVQMKUPEMQKLDR-QGZVFWFLSA-N 351.855 3.606 0 1 FHAF C=CCNC(=O)CSC1=CC(=O)C[C@@H](c2ccc(Cl)cc2)S1 137326499 TUYAUXXTYKLREV-AWEZNQCLSA-N 353.896 3.964 0 1 FHAF COc1ccc(NC(=O)CN2C(=O)C[C@H](C)Sc3ccccc32)cc1 5052385 KGIJPRXPANVLPM-ZDUSSCGKSA-N 356.447 3.551 0 1 FHAF Cc1ccc(N2CCN(CCc3c(C)n4c5c(cccc35)CCC4)CC2)nc1 13740397 UASVWQCUBHEADM-UHFFFAOYSA-N 374.532 3.964 0 1 FHAF COC(=O)[C@@H]1C[C@H]2C[C@@H]1CN2CCOc1ccc(Cc2ccccc2)cc1 13860542 IFWDQXSUHPPOCV-KCZVDYSFSA-N 365.473 3.540 0 1 FHAF C=Cc1cccc2c1[C@@H](N=O)C(=O)N2Cc1cc(F)cc2c1OCOC2 169722169 LVJQKGYIYJKDPU-QGZVFWFLSA-N 354.337 3.690 0 1 FHAF Fc1ccccc1/C=C1\CNC[C@H]2C1=NC(=S)N[C@H]2c1ccccc1F 169729970 LYVDCPLEHZTRDA-GTHKJMCUSA-N 369.440 3.638 0 1 FHAF O=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccccc1O 1857544415 YZUSKADZMAKWEK-UHFFFAOYSA-N 359.223 3.609 0 1 FHAF N=C(N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCC1CC1 1857567673 PIBRUDZISDTODS-UHFFFAOYSA-N 361.449 3.762 0 1 FHAF COc1cc(C=C(OC(C)=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 1857626427 HKWGPTPTKNBQTE-UHFFFAOYSA-N 372.373 3.502 0 1 FHAF CN(C)CCN=c1[nH]c(-c2[nH]c3ccccc3c2Cl)nc2ccccc12 1857749281 JNWOWRSPLNRQLU-UHFFFAOYSA-N 365.868 3.827 0 1 FHAF Cc1c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)nn1C 1857772155 YTIFSTOHDUXZPV-UHFFFAOYSA-N 367.249 3.724 0 1 FHAF CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)cc1 772596 JSTBZWVGUSCCRE-HKUYNNGSSA-N 372.852 3.919 0 1 FHAF O[C@@H]1C=C[C@@H]2[C@@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100899182 YQWCIPIEEBVRNY-VVZGCNPUSA-N 354.875 3.995 0 1 FHAF in-vitro Nc1nc(Nc2ccc(C(=O)O)cc2)nc(OCC2CCCCC2)c1N=O 103191775 IRMQPTLEJRNDAI-UHFFFAOYSA-N 371.397 3.858 0 1 FHAF O[C@H]1C=C[C@@H]2[C@@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100899180 YQWCIPIEEBVRNY-QMOXPYRXSA-N 354.875 3.995 0 1 FHAF in-vitro O=C(CCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 28646952 PQACGVZVBISRFG-UHFFFAOYSA-N 371.912 3.877 0 1 FHAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 29235562 DBEPLOCGEIEOCV-QAVABFCGSA-N 372.553 3.815 0 1 FHAF CC=Cc1cc(OC)c(OC)cc1C(=O)c1cc(OC)c(O)c(OC)c1 2356404481 OXFHUPHQXLDGKO-UHFFFAOYSA-N 358.390 3.691 0 1 FHAF COc1ccc(-c2nc(CC(N)=O)sc2-c2ccc(OC)cc2)cc1 29313940 ORXFAAZLVLBNRG-UHFFFAOYSA-N 354.431 3.522 0 1 FHAF Cc1ccccc1C(=O)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 74378311 JCQAJKFLYWCXSS-CJNGLKHVSA-N 358.800 3.663 0 3 FHAF COC(=O)C[C@@H]1C(=O)O[C@@H]2O[C@H](C)C(=C[C@]3(C)CCCC(C)(C)C3)[C@@H]21 13371115 NBWPFZAKGLLNHV-UIRAHRKTSA-N 350.455 3.616 0 1 FHAF biogenic COc1ccc(-c2cnn(C(C)(C)C(=O)Nc3ccccc3)c2)cc1OC 74387558 DRBSRICVIMHDTK-UHFFFAOYSA-N 365.433 3.941 0 3 FHAF O=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1 34281191 KZJQTCGYGSMOSC-NRFANRHFSA-N 350.462 3.967 0 1 FHAF CSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1 40380628 HEHZCBKVNPTLCZ-UHFFFAOYSA-N 366.508 3.634 0 1 FHAF CCCc1cc(NC2CCN(C)CC2)nc(Nc2cccc(OC)c2)n1 45302380 YUFGMLAVYKOQFX-UHFFFAOYSA-N 355.486 3.687 0 1 FHAF O=C(c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1)N1CCCC1 82215030 XSTLEEFWLRTIAO-UHFFFAOYSA-N 354.429 3.873 0 1 FHAF O=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CC[C@@H]1CO 145893514 PNVSESWIENVDOX-FOQJIBBJSA-N 357.469 3.503 0 1 FHAF CC1(C)[C@H]2CC[C@@H]([C@H](O)C(F)(F)C(=O)c3ccc4c(c3)OCO4)[C@H]1C2 299844946 YKRZWVJRXGAVES-ZBYUQBLASA-N 352.377 3.667 0 1 FHAF CCN(CC)CCCNC(=O)[C@H](C)Nc1ccnc2cc(Cl)ccc12 299840259 WMYZPHIHLIHGMA-AWEZNQCLSA-N 362.905 3.537 0 1 FHAF CCc1ccc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652365 PYLTXMLUTKZYRS-LBPRGKRZSA-N 356.809 3.720 0 1 FHAF CC(=O)OC1=C(C)[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587806425 ASPPHOFLADRZMV-VVVCHXIZSA-N 368.246 3.949 0 1 FHAF Cc1ncsc1CCc1nc2c(Br)cnc(Cl)c2[nH]1 587027561 VPZYKPVIOFBXRR-UHFFFAOYSA-N 357.664 3.924 0 1 FHAF C=Cn1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587763595 KJBDEBVZFMTFQF-XXFAHNHDSA-N 350.235 3.817 0 1 FHAF C[C@@H](F)[C@H](N)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587125989 UUDSDIAOVULZCS-VHWMUFPASA-N 356.117 3.582 0 1 FHAF CCOC(=O)C(=O)[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526672 ZCWHHMWDCSJNLG-JTSKRJEESA-N 370.445 3.592 0 1 FHAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587831006 VBKTYKAJMJPSML-VXJOIVPMSA-N 368.202 3.591 0 1 FHAF COc1cc2nc(C(F)(Br)Br)[nH]c2cc1C 587086577 DLWIMNCPIDFSSU-UHFFFAOYSA-N 352.001 3.750 0 1 FHAF Oc1ccc(C2(c3nc4c(Br)ccnc4[nH]3)CCOCC2)cc1 586912052 CDNUZSKOYBWKDQ-UHFFFAOYSA-N 374.238 3.523 0 1 FHAF CN(C)CCOc1ccc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c1 586911343 HHCAAPSMIVRIPR-UHFFFAOYSA-N 351.450 3.840 0 1 FHAF Cc1ccc(-c2nnc(SCc3nc4ccc(O)cc4[nH]3)n2C)cc1 586965922 WGLZNKXJCULTED-UHFFFAOYSA-N 351.435 3.665 0 1 FHAF CCOC(=O)c1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587442591 RASGQJGFYUJVHQ-IERDGZPVSA-N 352.386 3.535 0 1 FHAF CN(C)CCOc1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587037017 QJEFNLXJIWCRQN-KRWDZBQOSA-N 359.520 3.944 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(F)c(F)c(F)c(F)c1F)[C@@H](C2)C3=O 587424979 ZMOICSZFAITWIK-BWKAKNAASA-N 356.246 3.879 0 1 FHAF COC(=O)[C@H]1CCCc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587400148 ONSQJPAJIDQVGC-VGSWGCGISA-N 365.429 3.563 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ncoc1C 587862619 RZRXCVOETJAKEQ-UHFFFAOYSA-N 351.284 3.562 0 1 FHAF Cc1[nH]c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C=O 587790915 KFVQUKXJFUMXMM-CQLKUDPESA-N 365.246 3.969 0 1 FHAF CCc1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587793234 QXGUTHNIXDEKLH-VPTHRUTESA-N 352.251 3.806 0 1 FHAF COC(=O)C[C@@]1(c2ccc(O)cc2)NCCc2c(Cl)cc(Cl)cc21 963120567 KFOWLOFJAOICLB-SFHVURJKSA-N 366.244 3.651 0 1 FHAF CC[C@@H](C)[C@]1(C(=O)O)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962956504 LYGSVBBBUDMDRY-XIKOKIGWSA-N 371.399 3.683 0 1 FHAF Fc1ccc2nc(Cl)c(Cn3nnnc3Cc3ccccc3)cc2c1 1772628310 AJORCYQRDPYDRF-UHFFFAOYSA-N 353.788 3.653 0 1 FHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4Nc5[nH]ncc5C[C@]4(C)[C@@H]3CC[C@]12C 5500827 TXIDYABROZTEFW-NLKQXVMISA-N 357.498 3.921 0 1 FHAF COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1cc3c(cc1C2=O)CCC3 5539718 DKRRNCHPNPUSKH-SIKLNZKXSA-N 360.413 3.689 0 1 FHAF O=C(CCc1ccccc1)c1cccc(OC[C@@H](O)CN2CCCCC2)c1 13529263 HIWSPAOYMSSPJM-NRFANRHFSA-N 367.489 3.728 0 1 FHAF CC(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714342 PFJNFQNAMKUVQS-FMRFCHHCSA-N 358.526 3.784 0 1 FHAF O=C(O)CC/C=C/c1c(CCCCC(=O)O)c(O)c2ccccc2c1O 169716725 XNSFVKPQTIGMSZ-YCRREMRBSA-N 358.390 3.926 0 1 FHAF CC[C@H]1Cc2cc(OCC(C)C)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857652421 AQGIQEWWSOXMFF-AWEZNQCLSA-N 371.433 3.764 0 1 FHAF CCOCC=Cc1ccc2c(c1)[C@@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 2356332776 IZWXWZBLJVFVIF-DYESRHJHSA-N 356.418 3.660 0 1 FHAF O=C(Oc1ccccc1)N1CCC2(CC1)CCN(c1ccncc1)CC2 3955849 UGEOBEWCRMXLMA-UHFFFAOYSA-N 351.450 3.963 0 1 FHAF CCc1ccccc1NC(=O)c1ccc2nc(N3CCOCC3)sc2c1 6806311 HKEFXFZLWDZUAY-UHFFFAOYSA-N 367.474 3.948 0 3 FHAF CCN(CC)CCCN1C(=O)CS[C@@H]1C12CC3CC(CC(C3)C1)C2 28713231 DYMVOTRZSWBAMA-OFGIBPIPSA-N 350.572 3.836 0 1 FHAF CC(C)(C)C(=O)NCCCCCN1CCN(c2ccc(Cl)cc2)CC1 28232674 YMMLFSFCPJJNGH-UHFFFAOYSA-N 365.949 3.795 0 1 FHAF C[C@H]1[C@@H]2[C@H]3Cc4ccc(O)cc4[C@]2(CCN3CC2CCC2)CC(=O)[C@@H]1C 100788136 XVYFFIJITDUPCR-PYYKXFAFSA-N 353.506 3.922 0 1 FHAF O=C1[C@@H]2CCCC[C@H]2C(c2ccc3c(c2)OCO3)=NN1Cc1ccccc1 26567782 WKKMQRVLLUFLGR-QZTJIDSGSA-N 362.429 3.968 0 1 FHAF CCOC(=O)c1[nH]nc2c1C[C@@H]1[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C 28528205 WMQJMIBEOIXGLX-PAODICLVSA-N 366.461 3.862 0 1 FHAF COc1cc(C(=O)c2ccc(-c3ccco3)cc2N)cc(OC)c1OC 64479743 DWSMNBXFDXNRKD-UHFFFAOYSA-N 353.374 3.786 0 1 FHAF OCCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cccc(Cl)c32)CC1 22937825 HKWOIXRWXXYROZ-AZUAARDMSA-N 374.887 3.666 0 1 FHAF CCCCC[C@@H](O)[C@@H]1C(=O)c2c(cc3cc(O)cc(O)c3c2O)C[C@H]1C 28370193 MSQJTIQOPPIFHO-RGYTYGDFSA-N 358.434 3.889 0 1 FHAF COc1ccc2cc(-c3cc4ccc(OC)cc4oc3=O)c(=O)oc2c1 38189758 FCWUDEWOPNJZGG-UHFFFAOYSA-N 350.326 3.584 0 1 FHAF COc1ccc(OC)c(CCNCc2coc(-c3cccc(F)c3)n2)c1 72182930 UEJRBTFMJKKXNR-UHFFFAOYSA-N 356.397 3.830 0 1 FHAF CC(C)C1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(O)c2)NC(=O)N1 73310923 QVODYNNJSQJSRZ-IBGZPJMESA-N 372.465 3.780 0 1 FHAF Cc1nn(-c2ccccn2)c(O)c1C(=O)Nc1ccc(C(F)(F)F)cc1 73222832 OSEGQLGXXKYBMF-UHFFFAOYSA-N 362.311 3.552 0 1 FHAF O=c1[nH]c2ccc(N3CCc4ccccc4C3)nc2nc1-c1ccccc1 82231747 CPBCBYBMRBBUKV-UHFFFAOYSA-N 354.413 3.548 0 1 FHAF COc1ccc([C@@H]2[C@@H]3CCCCC3=NN2S(=O)(=O)c2ccccc2)cc1 42920333 HMWWVCYAMUKJNZ-UYAOXDASSA-N 370.474 3.987 0 1 FHAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3cccc(F)c3)ccc12 96905952 RHHQABWFWPUFCW-LJQANCHMSA-N 354.406 3.754 0 1 FHAF NC1=N[C@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)C[C@@H]2CCS1 95589211 WQDXYYJHDFSNIX-SGTLLEGYSA-N 372.881 3.654 0 1 FHAF CCc1sc(-c2ccc(F)cc2)nc1CSc1nc(N)cc(N)n1 96283881 DJZCMFDRMBCUHE-UHFFFAOYSA-N 361.471 3.758 0 1 FHAF CC(C)[C@H]1CC[C@@H]2[C@]1(C(=O)O)CC[C@@]1(C)[C@@H](O)[C@@](C)(O)C=CC[C@@]21C 238789258 RXGKONPJVGREKM-HFQYRZGWSA-N 350.499 3.618 0 1 FHAF O=C(Nc1cccc2c1C[C@H](O)CC2)N[C@H]1CC[C@H](c2ccccc2)C1 147212242 VDZTXFMUUMHYNW-GBESFXJTSA-N 350.462 3.994 0 1 FHAF CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(C)c(C)c1 2382217902 DHLQAEGABGRECV-CZUORRHYSA-N 358.463 3.515 0 1 FHAF O=c1cc(OCc2cn(Cc3ccc(Cl)cc3)nn2)c2ccccc2o1 2382225361 PLFJXCTUJKYDNL-UHFFFAOYSA-N 367.792 3.665 0 1 FHAF Cc1cc(=O)oc2cc(CNC3CCN(Cc4ccccc4)CC3)ccc12 653786698 PDEVIVJKZGXTTC-UHFFFAOYSA-N 362.473 3.856 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(C2CC2)N1 587739148 GBYQLZWOEVOIDZ-SNVVVFEHSA-N 353.279 3.803 0 1 FHAF Cc1nc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587552069 NCHGULQUAUWEND-APWZRJJASA-N 368.776 3.847 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(O)cc2[nH]1 586999745 BZZKRNUFTUHUBE-ZDUSSCGKSA-N 371.238 3.755 0 1 FHAF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1CCF 587721094 VPEOGFZHQJDDCY-ABKXIKBNSA-N 370.241 3.686 0 1 FHAF CCCCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587409647 NIBCDAYJYKZMJI-IBGZPJMESA-N 373.474 3.858 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(N)cc32)N1 587746411 MWGHBWVLEXQXTA-MLCYQJTMSA-N 361.258 3.894 0 1 FHAF CCOC[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587591922 IEDVUWBKNKWEFN-XQAUZQBESA-N 354.402 3.929 0 1 FHAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587805271 FFDLYSQKHDUOLX-XLFHBGCDSA-N 366.230 3.926 0 1 FHAF COc1ccc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2n1 587044830 UJDRKIXKNGTGKK-UHFFFAOYSA-N 354.193 3.958 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c4c(c1O)CCCN4CCC3)O2 587393927 BRBOPOJXTPGLEC-IBGZPJMESA-N 364.445 3.688 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN[C@@H]3CCCC[C@@H]32)N1 587797813 XIKSZUMGWFNTDT-CWMCZYRISA-N 367.306 3.870 0 1 FHAF CCc1oc2ccccc2c1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586902575 BUIYOVRPIXYWQU-UHFFFAOYSA-N 369.446 3.789 0 1 FHAF COC(=O)C(=O)c1c(-c2cccc(OC(F)F)c2)[nH]c2cc(F)ccc12 587633915 OOCHBBYKEXAXAL-UHFFFAOYSA-N 363.291 3.931 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 586951366 YMAHEVOVAIKBSG-UHFFFAOYSA-N 355.341 3.620 0 1 FHAF COc1ccc(Cc2nc3c(C)c(Br)cnc3[nH]2)cc1OC 587928151 WYKUTCZQJBXCHC-UHFFFAOYSA-N 362.227 3.637 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2c1 587968808 FXNRSVRHVUNDFE-FBFMVGLQSA-N 358.825 3.650 0 1 FHAF CC1(C)CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351228 ZLZBGOFKDQCBPC-GHTZIAJQSA-N 355.409 3.649 0 1 FHAF CO[C@H](c1cncs1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619870 VGBKBWHHCVITOS-KFKAGJAMSA-N 369.398 3.567 0 1 FHAF Fc1ccc(-n2nnc(-c3nc4cc5c(cc4[nH]3)OCO5)c2C2CC2)cc1 587169091 UWTSWOSZQVWCHE-UHFFFAOYSA-N 363.352 3.556 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cn2cc(Cl)ccc2n1 963602655 AJDYYDXMOJOJNY-WYRIXSBYSA-N 357.841 3.629 0 1 FHAF CC(=O)c1ccc(-n2cccc2[C@H]2NCCc3c(C(=O)O)cccc32)cc1 963120954 IEEQGVAFLQCUTD-NRFANRHFSA-N 360.413 3.613 0 1 FHAF CCOCCC[C@@]1(c2ccc(F)cc2)NCCc2c1c(C(C)C)nn2C 962916881 XOFUYDKYTHKCJA-NRFANRHFSA-N 359.489 3.889 0 1 FHAF Cc1ccc2c(c1)cc([C@@H]1N[C@H](C(=O)O)Cc3c1cnc1ccccc31)n2C 963239474 WYOCUBMIEQZNDF-SIKLNZKXSA-N 371.440 3.723 0 1 FHAF CCc1c(O)nc(=O)n(COCc2ccc(F)cc2)c1CC1CCCCC1 1772641749 SAXONFWNGNIQIJ-UHFFFAOYSA-N 374.456 3.948 0 1 FHAF CNCC[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 13491906 GEINFTMBZZZXQR-NRFANRHFSA-N 350.506 3.729 0 1 FHAF Fc1cccc(Cc2noc(CN3CCCC[C@@H]3c3ccccn3)n2)c1 13636860 JASHGUXNKDWSIR-GOSISDBHSA-N 352.413 3.922 0 3 FHAF COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC 15149420 BCLNKNUUTUITEA-UHFFFAOYSA-N 366.325 3.709 0 1 FHAF endogenous,in-man Cc1nn(Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c1CC(=O)O 169704009 HJOCYVRXUXIRSX-UHFFFAOYSA-N 359.426 3.522 0 1 FHAF COc1ccc(-c2cnc3ccc(NCc4ccc5c(c4)OCO5)nn23)cc1 146214742 OMHSSEDNCUEJIP-UHFFFAOYSA-N 374.400 3.746 0 1 FHAF CCN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F 105179914 XFQWKPPGNUIBPE-UHFFFAOYSA-N 356.445 3.611 0 1 FHAF FC(F)(F)c1ccccc1CCO[C@@H]1CCCC[C@H]1N1CCOCC1 28653835 NMVFFWCXMIUZSW-QZTJIDSGSA-N 357.416 3.908 0 1 FHAF CC(C)=CCC[C@@H](C)C=CC=C(C)C(=O)NCCc1cn(CCCN)cn1 2356419596 YAFSLEGSHVYJSO-LJQANCHMSA-N 372.557 3.776 0 1 FHAF CS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)nn3ncccc23)cc1 28386322 SLUYEFYEFFMLQC-UHFFFAOYSA-N 367.405 3.606 0 1 FHAF COc1ccc(C2=NN(C3CCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OC 26507230 OPMPGFFLKCUJGU-IRXDYDNUSA-N 354.450 3.775 0 1 FHAF O=C(c1ccccn1)N(Cc1cc2cc(Cl)ccc2[nH]c1=O)CC1CC1 66129535 XIVDYPLUIADTEA-UHFFFAOYSA-N 367.836 3.629 0 1 FHAF N[C@@H](Cc1ccccc1)c1csc(Nc2nccc(C(F)(F)F)n2)n1 61906327 WZRIKSHLKHRCCF-NSHDSACASA-N 365.384 3.938 0 3 FHAF O=c1[nH]nc(-c2ccnc(NC3CCC3)c2)n1-c1ccc2ccccc2c1 66259485 NUEDKDFHLPVYRY-UHFFFAOYSA-N 357.417 3.740 0 1 FHAF Cc1cc(Nc2ccc(Br)c(C(F)(F)F)c2)n2ncnc2n1 40465340 VLYCMPJFSZJSPX-UHFFFAOYSA-N 372.148 3.958 0 1 FHAF Cc1ccc(NC(=O)CNc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 84730139 HJBJBQHUHVXPCU-UHFFFAOYSA-N 374.444 3.880 0 1 FHAF CC1=C(C(=O)N2CCC2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 40395693 XRIWGQFZPBIYIK-INIZCTEOSA-N 363.248 3.711 0 1 FHAF O=C1CC2(CCCC2)Oc2cc(OC[C@@H](O)CNc3ccccc3)ccc21 95590527 MPKWJDSADNMPQY-KRWDZBQOSA-N 367.445 3.816 0 1 FHAF c1coc(-c2ccc(N3CCC(NCCCn4ccnc4)CC3)cc2)c1 95531245 BKWAJICXUDQSTQ-UHFFFAOYSA-N 350.466 3.792 0 1 FHAF C[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cn1 96167832 FJQWWVRYOUIPBY-NSHDSACASA-N 363.400 3.728 0 1 FHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1C(C)(C)[C@H](O)CC[C@@]21C 86004359 PRKBLPCDOOARTE-OSRJUQGESA-N 362.466 3.871 0 1 FHAF biogenic CCOC(=O)Nc1ccc(C)cc1-n1cnc(-c2ccc(OC)cc2)n1 299836226 MWVWIZCNFLNNQU-UHFFFAOYSA-N 352.394 3.820 0 1 FHAF C[C@H]1C[C@]2(CN1C1CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587763217 XQYBEWZWRAXRTP-VGTOOOLASA-N 353.279 3.574 0 1 FHAF CCCn1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587763662 KZYDVEUHBJJVNO-GTNSWQLSSA-N 366.278 3.992 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cnc(Cl)c1OC)[C@@H](C2)C3=O 587422807 UVUDAGJZGFGDQE-VFZGTOFNSA-N 366.200 3.894 0 1 FHAF COc1cc(OC)c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1OC 587873604 JEXVSRCFNQODJV-UHFFFAOYSA-N 370.336 3.509 0 1 FHAF COC(=O)CCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587807572 LUYILBCVLHFBSF-ZWNOBZJWSA-N 358.251 3.897 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)c(Cl)nc3[nH]1)C2 587246240 FENGOQGVWFFYLX-KRWDZBQOSA-N 363.248 3.616 0 1 FHAF COc1cc(C)c(O)n1-c1nn(COc2ccccc2F)cc1Cl 587946108 PNQWWJMLDWBBRK-UHFFFAOYSA-N 351.765 3.525 0 1 FHAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(CCO)cc2[nH]1)C1CCCC1 587227221 WVZHDZDXAXRIAS-KRWDZBQOSA-N 359.470 3.854 0 1 FHAF COc1cc(OC)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2c1 587113079 JTKTXBAROSFSLB-ZDUSSCGKSA-N 365.355 3.841 0 1 FHAF Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C(=O)O 586987743 RXFZPXUATZFIAM-UHFFFAOYSA-N 370.364 3.856 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2N[C@@H]2c2ccccc2)N1 587794970 PRZKEIQJZWIAND-GKMAIYAESA-N 361.258 3.877 0 1 FHAF Cc1ccc2c3c(c4c(nc13)C[C@H]1CC(=O)NC[C@H]41)-c1ccccc1C2=O 587096264 ILEBPFUDORGULR-LRDDRELGSA-N 354.409 3.530 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587044265 YJSQOYQMQNZPAJ-SNVBAGLBSA-N 358.389 3.597 0 1 FHAF O=C(c1ccc2c(c1)OCO2)c1c(C(F)F)[nH]c2c(C(=O)O)cccc12 587637610 LSYHEXWJZGMJFW-UHFFFAOYSA-N 359.284 3.763 0 1 FHAF CCOC(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514166 HADCIYNTAZSSFS-IBGZPJMESA-N 351.402 3.844 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CCO)cc1 587607969 JNCRAKZHTYLIAU-DENIHFKCSA-N 362.381 3.630 0 1 FHAF COc1ccc(OC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1N 587509629 HZIKAIKFUNDNHS-GOSISDBHSA-N 353.418 3.871 0 1 FHAF Cc1c(-c2nc3cc(Cl)ncc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074302 RMJUNYYBZVPUQN-UHFFFAOYSA-N 359.220 3.880 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cnccc2[nH]1 587592439 YRYKTZCSJDWJQO-GHTZIAJQSA-N 358.353 3.971 0 1 FHAF CN(CCCCN1C(=O)COc2ccccc21)Cc1ccc(Cl)cc1 1772617013 NSULTPVPXTUFGQ-UHFFFAOYSA-N 358.869 3.978 0 1 FHAF COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C 12479735 AJSLHEWCEUVKAS-GOEBONIOSA-N 368.433 3.714 0 3 FHAF CC(=O)N[C@]1(c2ccc3ccccc3c2)C2=NCCCN2c2ccccc21 13884084 FHQDPMRMHCLVID-QHCPKHFHSA-N 355.441 3.842 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@H]1/C=C/c1ccccc1 169690440 UJPAOKAXEKZRNI-IZGBJUCLSA-N 355.434 3.807 0 1 FHAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1=O 200050054 JRCIQNHUWNHWOY-IBGZPJMESA-N 372.415 3.584 0 3 FHAF CC[C@H](C)CCCc1c(O)ccc2c1O[C@@]1(C=C(Cl)C(=O)N1C)C2=O 1857583068 PVYCEZWAQAVZKI-WLRWDXFRSA-N 363.841 3.627 0 1 FHAF C[C@H]1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)C1 3910055 KGDVXSMYYHIJBO-KNXBSLHKSA-N 374.484 3.782 0 1 FHAF CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@@]5(CCC[C@@]12CC5)[C@@H]43 2356340955 CEYYGKWFSIIYLP-CZYKHXBRSA-N 352.478 3.568 0 1 FHAF Cc1ccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)cc1 28871856 DKZTYTDRYSPJKI-UHFFFAOYSA-N 356.426 3.853 0 1 FHAF O=C(O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1 103276972 UEVIRFIONYRFDQ-UHFFFAOYSA-N 363.204 3.653 0 1 FHAF COc1cc([C@H]2CN=C(c3cccc4ccn(C)c34)O2)cc(OC)c1OC 27523395 PDQHLXLGXUMLGI-GOSISDBHSA-N 366.417 3.722 0 1 FHAF CC1(C)C(=O)CC[C@H]2[C@@]13C=C[C@@H]1[C@]4(C)CCC(=O)[C@@]4(C)CC[C@]21C(=O)O3 2356441010 ZZCFOYQURYOXSX-DINXEBOKSA-N 356.462 3.629 0 1 FHAF CCC[n+]1ccc(CCC(=O)[C@H]2Cc3cc(OC)c(OC)cc3S2)cc1 28393400 CRMOWQKTQGSOFA-OAQYLSRUSA-N 372.510 3.620 0 1 FHAF O=C(O)C[C@@H]1[C@@H]2C=C[C@@H]3[C@H](c4ccc5c(c4)OCO5)C=C[C@@H]4C[C@@H]1[C@@H]2[C@@H]43 2356506062 ABOYVNQPUIGLSV-SQQNYIPDSA-N 350.414 3.844 0 1 FHAF CC1=C[C]2C=CC3=C(O[C@@H](C(C)(C)O)C3)C2=CN1[C@H](CC(C)C)C(=O)O 2356836596 WWRFJAZYHXIPOW-QZTJIDSGSA-N 358.458 3.547 0 1 FHAF C[C@@]12C(=O)N(c3ccc(F)cc3F)C(=O)N1CCc1c2[nH]c2ccccc12 2112383 HGMBPCOPBVVISV-HXUWFJFHSA-N 367.355 3.686 0 1 FHAF biogenic C[C@H](CCO)[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 33821004 AQLBTYPFUGRFQI-VEPRGJRUSA-N 364.570 3.996 0 1 FHAF CCOc1cc2c(cc1OCC)C(c1cccc(Cl)c1)=NNC(=O)C2 34336469 OOHFTJDNTIGHPZ-UHFFFAOYSA-N 358.825 3.562 0 1 FHAF COc1cc(-c2cc(=O)c3c(O)c(C)c(OC)c(C)c3o2)cc2c1OCO2 14641595 OAUBHSZZWZVIHS-UHFFFAOYSA-N 370.357 3.528 0 1 FHAF biogenic Cc1cccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1 74377932 NPVJUHMKSVXSRB-XJKSGUPXSA-N 358.800 3.663 0 3 FHAF O=C(Cc1ccc(F)cc1)N1CCC(c2nc(-c3cccs3)no2)CC1 71296655 YLCBOFDDWAFSLU-UHFFFAOYSA-N 371.437 3.886 0 1 FHAF Cc1ncc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCCC1 72182512 GQCZMPRUQSHVSF-UHFFFAOYSA-N 361.445 3.713 0 1 FHAF CCC[C@H](Nc1cncc(-c2ccc(CO)c(OC)c2)n1)c1cccnc1 136949779 JTNSXXKPHMWSSL-SFHVURJKSA-N 364.449 3.993 0 1 FHAF Cc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2ccc(F)cc2)oc1C 82164639 TUNHHSBKNGYQIQ-UHFFFAOYSA-N 368.412 3.516 0 1 FHAF CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2oc(C)cc12 84669452 JHRWKNIQAPFKKC-IBGZPJMESA-N 363.413 3.871 0 1 FHAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2/C=C/c2cccnc2)nc1 149557562 OFFGURFOHFNSOB-OANMOWAGSA-N 374.444 3.937 0 1 FHAF O=C(Cc1cccc(Cl)c1C(F)(F)F)N[C@@H]1COc2ncccc21 146587282 AZKNCGJKZAQWKA-GFCCVEGCSA-N 356.731 3.546 0 1 FHAF Cc1nnc(-c2nc(NCc3ccc(Cl)cc3)c3cccnc3c2O)[nH]1 299855133 DIXHCYQSXOUXLR-UHFFFAOYSA-N 366.812 3.694 0 1 FHAF Cc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2ccccc2C1=O 473172864 ZLEPKOXIBITAFZ-UHFFFAOYSA-N 360.369 3.949 0 1 FHAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)[C@@H](O)C[C@@H](O)CC/C=C\2 653695764 ATGCIUOLONYVDU-XQONNYOLSA-N 372.417 3.793 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)C[C@@H]1F)O2 587387786 WZAPRNQQCPDVKB-FPOVZHCZSA-N 354.425 3.525 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(N)cc32)N1 587746419 MWGHBWVLEXQXTA-YPMLDQLKSA-N 361.258 3.894 0 1 FHAF N=c1[nH]cc(Cl)nc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987607 ZNWRUDXPYKFJNL-UHFFFAOYSA-N 374.787 3.675 0 1 FHAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586960832 CSAHAEPSCNTQIH-RXMQYKEDSA-N 373.335 3.652 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OCC)ccn1)CC2=O 587487761 NSHLFMCESGDUND-SFHVURJKSA-N 355.390 3.623 0 1 FHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cnc3ccccc3c2[nH]1 587194499 UYWYPKFASCGSJL-OAHLLOKOSA-N 369.469 3.629 0 1 FHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(F)c(F)c2[nH]1 587259475 IEMSRGQJYYLDDW-AWEZNQCLSA-N 374.391 3.548 0 1 FHAF Cc1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587776515 XPQVIRJXYMUPQK-WNWIJWBNSA-N 364.262 3.927 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(/C(=C\OCC)C(=O)OCC)CC2=O 587477902 HXCUGKPAIHXAAO-NLBZTSMMSA-N 362.422 3.552 0 1 FHAF O=C(O)CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350106 HGWYCWLLISDFEI-FPOVZHCZSA-N 370.376 3.904 0 1 FHAF Oc1nc(O)c2cc3c(nc2n1)[C@H](c1ccc(C(F)(F)F)cc1)CCC3 587368232 KSYFYMIKBINTFD-LBPRGKRZSA-N 361.323 3.923 0 1 FHAF Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1N 587659881 HUJWOHJHMFNJLK-UHFFFAOYSA-N 373.387 3.782 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1SC)[C@@H](C2)C3=O 587453849 UVYZSYWYJFMRNJ-RNODOKPDSA-N 372.442 3.923 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2cccc(O)c2)N1 587831397 HDZKIUGCPHGVTQ-FVMDXXJSSA-N 364.214 3.752 0 1 FHAF CCCOC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793560 NPJZLXIUNJCDRF-HWPZZCPQSA-N 358.251 3.681 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CSc1ccccc1C(=O)O)O2 587409286 LECWDLSKNFVDRR-LJQANCHMSA-N 357.431 3.792 0 1 FHAF Cc1ccc(C(=O)C[C@]2(C(F)F)NCCc3nc4ccccn4c32)cc1C 962981214 FDSMMOFULSPGHN-NRFANRHFSA-N 369.415 3.830 0 1 FHAF Cc1ccnc([C@]2(c3ccccc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963035531 RXURBWNPOYFNDB-MZNJEOGPSA-N 369.468 3.735 0 1 FHAF Cc1ccnc2c1CCN[C@H]2c1ccnc2cc(Br)ccc12 963065445 DPWZDWGLNQJTBX-SFHVURJKSA-N 354.251 3.936 0 1 FHAF COc1ccc(OC)c(NC(=O)C[C@]2(C)NCCc3ccc(F)c(C)c32)c1 962091422 KRIWQIFGFIHHQJ-NRFANRHFSA-N 372.440 3.541 0 1 FHAF O=C(O[C@H]1CN2CCC1CC2)[C@H]1CCc2ccccc2N1c1ccccc1 13674419 RNBJISATPAUHAD-YADHBBJMSA-N 362.473 3.777 0 1 FHAF CCONC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)O1 13796274 WUZJHXGMAALQKL-PTNGSMBKSA-N 360.454 3.782 0 1 FHAF Cc1nc2cccc3c2nc1N[C@@H](C)CCC[C@H]1CNC(=O)c2cc-3[nH]c21 150076743 ISSQSUGBRMTNBJ-AAEUAGOBSA-N 361.449 3.745 0 1 FHAF CSc1nn(-c2ccccc2)c2cc(C(=O)C3CCNCC3)ccc12 165833192 GXXVWJANADYLIH-UHFFFAOYSA-N 351.475 3.930 0 1 FHAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2nccnc2c1 202123042 OJJFMHJYKUPPEF-UHFFFAOYSA-N 373.416 3.783 0 1 FHAF NC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCCC3)cc2n1 1857597209 QKSTXCOSRYSBHV-UHFFFAOYSA-N 355.438 3.797 0 1 FHAF Fc1ccccc1N1CCN([C@@H]2NC=Nc3sc4c(c32)CCCC4)CC1 7078020 UAZOOALGJXYRIM-IBGZPJMESA-N 370.497 3.850 0 1 FHAF COc1ccc(-n2ncc([C@@H](C)NCc3ccc4nonc4c3)c2C)cc1 55254650 GHUBDJHBDPJXES-CYBMUJFWSA-N 363.421 3.576 0 1 FHAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2CC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 27203570 VQKLFYFQQYOFJU-URZNZNTCSA-N 367.537 3.808 0 1 FHAF O=C1C[C@@H](c2ccc(F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27100926 SPILXCGVDVWRIC-NSHDSACASA-N 357.768 3.944 0 1 FHAF I/C=C/CN1CCC[C@@H]2Cc3ccccc3C[C@@H]21 27420704 DBFOJAKARGTRKY-VFXWJFPTSA-N 353.247 3.815 0 1 FHAF O=C1CN(Cc2ccc(F)cc2)C[C@H]2c3cccn3-c3ccccc3CN12 27522926 OMAATIABANUEIX-NRFANRHFSA-N 361.420 3.516 0 1 FHAF CCCCc1c(OCCN(C)C)c2cccnc2n(-c2ccccc2)c1=O 26248699 YIAUPZCTNBIJOA-UHFFFAOYSA-N 365.477 3.669 0 1 FHAF CC(C)OCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 36093150 OKTPOAKUYYFNLE-UHFFFAOYSA-N 362.411 3.824 0 1 FHAF COC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)s2)cc1 1911583240 OBSCDEDYLIQCON-UHFFFAOYSA-N 358.463 3.773 0 1 FHAF CN1C(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)c2cc(Cl)ccc21 40556662 IFIWUPMGKRHWQF-GOSISDBHSA-N 364.832 3.811 0 1 FHAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OC)co2)cc1 82088041 IZYNXFNFHGLABB-AWEZNQCLSA-N 374.437 3.592 0 1 FHAF N[C@@H](CCN1CCC(c2cccc(O)c2)CC1)Cc1ccc(F)c(F)c1 45302349 RSNITYIFSZEHQA-SFHVURJKSA-N 360.448 3.810 0 1 FHAF O=C1CCC/C=C\C[C@H]2[C@@H](O)C[C@@H](O)[C@H]2/C=C/[C@@H](CCc2ccccc2)O1 148690340 RIBUBQDYGJHEOM-PYWYIFIRSA-N 370.489 3.575 0 1 FHAF O=C(O)c1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144819138 AZWVTJNBRUCBCD-GOSISDBHSA-N 372.302 3.620 0 1 FHAF CC[C@]1(c2ccc(OC(=O)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443914 QQRMXOKKGXPYHP-IIBYNOLFSA-N 368.385 3.893 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(F)F)nc1C)CC2=O 587466408 NSPLZMJEFAZRRX-MRXNPFEDSA-N 350.365 3.821 0 1 FHAF CCc1nccn1C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587753049 HLLQPPDJCJRMHH-DIFFPNOSSA-N 366.278 3.797 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccnc2Cl)N1 587701113 AGCJLKJEHLANBW-JMCQJSRRSA-N 356.626 3.655 0 1 FHAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587773724 RSPOZXGDLRVOMA-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF CCc1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587194072 ZOEUWOSPEVLGBW-UHFFFAOYSA-N 351.450 3.645 0 1 FHAF Cc1ncc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587774623 NBCBRIVXESRAEX-XLFHBGCDSA-N 364.262 3.793 0 1 FHAF Nc1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570944 MUDSNZGIGVQFFS-YLJYHZDGSA-N 351.333 3.816 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)cccc1-n1cccn1)O2 587381037 FKZLQCYNFAUMRD-HXUWFJFHSA-N 351.381 3.783 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](O)C(C)(C)C2)N1 587835904 YOWYCYWTQTXRLX-OMXAPOSASA-N 356.279 3.889 0 1 FHAF COC(=O)[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351981 NQPORCUSWRALBN-RXVVDRJESA-N 372.392 3.848 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCC[C@H](c4ncccc4O)C1)[C@@H](C2)C3=O 587436013 LUNPJZFAMZLUKG-QOKQMOMRSA-N 351.402 3.640 0 1 FHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(OC)cc(OC)cc3[nH]2)cc1 587787478 VYYBKOQOWFOGFT-LSDHHAIUSA-N 352.390 3.524 0 1 FHAF COc1ccc(/C=C/Cc2nc3cc(Br)cnc3[nH]2)c(OC)c1 587928689 HHFQDIUYRWSOLM-ONEGZZNKSA-N 374.238 3.994 0 1 FHAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccnc1)CC2=O 587466579 AIOVWJMRWRITBF-ACUNGTFPSA-N 352.434 3.676 0 1 FHAF Cc1c(Br)cnc2[nH]c(-c3ccccc3/C=C\C(=O)O)nc12 586880924 DDMIFJUWQONRRC-SREVYHEPSA-N 358.195 3.794 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccccn3c1Br)O2 587370626 ARCMRKAKDWYLHW-CYBMUJFWSA-N 372.222 3.694 0 1 FHAF COc1ccc([C@@H]2C[C@]3(CCO2)CC(=O)c2cc(C)cc(N)c2O3)cc1 587415085 YNIJMDFTNMKMGC-FPOVZHCZSA-N 353.418 3.842 0 1 FHAF Cc1cnc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587768999 FUWURSJQLGEANJ-VVVCHXIZSA-N 364.262 3.793 0 1 FHAF CCc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587776364 WZEFYSNHOCFBFY-ABKXIKBNSA-N 350.235 3.564 0 1 FHAF CCOP(=O)(OCC)c1ccnc(-c2cc(Br)ccn2)c1 199210464 WAFRIULJAZJVKZ-UHFFFAOYSA-N 371.171 3.798 0 1 FHAF CC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCc2ccccc2C1 1772581115 JOHSWCYTWCMYQU-IBGZPJMESA-N 365.456 3.715 0 1 FHAF O=C1O[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(F)cc(F)c1 13740661 RRMHOUYEUUCREL-QGZVFWFLSA-N 356.328 3.536 0 1 FHAF Cc1cccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c1 13742541 LLBPAWNWAYOKBO-UHFFFAOYSA-N 362.473 3.821 0 1 FHAF C[C@@H]1CCC[C@@H](Nc2ncnc3c2nnn3Cc2ccccc2Cl)C1 13778499 YOQCHWGMJSBDOY-TZMCWYRMSA-N 356.861 3.914 0 1 FHAF Cc1cccc(CNc2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)c1 150118933 YIHUNTSCCUBOJN-VFUGHAIPSA-N 350.510 3.718 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]3CC[C@@H]12 169323096 YJVVSONFMRLWTH-ZNHHTQMCSA-N 359.510 3.926 0 1 FHAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC 775785 HELZSVKQMOLPAF-DZGCQCFKSA-N 374.481 3.785 0 1 FHAF CC[C@H]1CC[C@H](N2C(=O)CC(=O)N(CCc3ccc(Cl)cc3)C2=O)C1 101678285 YHWWPYUITXNAKW-BBRMVZONSA-N 362.857 3.642 0 1 FHAF CC[C@@]1(c2ccccc2)C(=O)c2cccn2-c2ccccc2S1(=O)=O 26637583 NARXBOXIOKLBQQ-HXUWFJFHSA-N 351.427 3.753 0 1 FHAF Brc1cccc(CCO[C@@H]2CCCC[C@@H]2N2CCOCC2)c1 114824808 PJWYGBZUVBVWTP-ZWKOTPCHSA-N 368.315 3.652 0 1 FHAF CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1ccc(Br)s1 103219324 QVHRSUOZBXKWGJ-CQSZACIVSA-N 369.215 3.889 0 1 FHAF CCc1c(C)sc2nc(SC)n(-c3ccc4c(c3)OCO4)c(=O)c12 28949230 ZAVWFNMYCQJAES-UHFFFAOYSA-N 360.460 3.769 0 1 FHAF CC(C)N(CC[C@]1(c2ccccc2)C(=O)N[C@@H](C)N2CCCC[C@@H]21)C(C)C 28756174 FEKYBEXKIPSLIU-KJXAQDMKSA-N 371.569 3.764 0 1 FHAF CC(C)[C@H]1CC[C@@]2(C)[C@H]3C[C@H]4[C@H]5CCC[C@@]4(O)[C@@]2(CCC(=O)O)[C@H]1N5C3 2356788594 XJVXLZXIMBRIAJ-GTPITJCNSA-N 361.526 3.527 0 1 FHAF N=C1S/C(=C\c2c[nH]nc2-c2ccccc2F)C(=O)N1c1nccs1 40916958 ACIMOEXURRJOON-KBEFMPHXSA-N 371.422 3.728 0 1 FHAF Cc1c(OS(=O)(=O)c2ccc(Cl)cc2)cccc1C1CCNCC1 45484411 FYGGYWPKRKRWJU-UHFFFAOYSA-N 365.882 3.883 0 1 FHAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1 43204920 PYUCVLVRHYGSER-FXAWDEMLSA-N 356.514 3.767 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 253783094 SPRAISFZWHQEFO-VHHJQRMMSA-N 356.466 3.595 0 1 FHAF COc1ccc(C[C@H](C)[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1OC 86048048 NJZFDQRQCKAWQT-QTCYRWPVSA-N 358.434 3.981 0 1 FHAF biogenic NC(=O)c1c(F)ccc(OCC2=NO[C@@H](c3ccccc3Cl)C2)c1F 2382217253 OVUCZNLVKSBLAC-CQSZACIVSA-N 366.751 3.614 0 1 FHAF C/C(=C\CC[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)CO 2382223215 MRVPZKQGAYTXHJ-NHBAIXJCSA-N 369.398 3.517 0 1 FHAF COC(=O)c1ccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2n1 587066065 HBPFVRLWVNKZCG-UHFFFAOYSA-N 359.813 3.718 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cc(Br)ncc13)O2 587373644 RUTIBPSIBGRPNL-HNNXBMFYSA-N 372.222 3.923 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC)c(OC)cc2[nH]1 586915527 FNXZSSBAPCQZAQ-LHSJRXKWSA-N 366.417 3.797 0 1 FHAF COC(=O)c1cccc2nc(C/C=C\c3ccc(OC)cc3OC)[nH]c12 587928622 GFASQMKYGGBGBB-XQRVVYSFSA-N 352.390 3.623 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)cc(Br)cc1F)O2 587383147 YCSFNKPJHWXQPJ-CQSZACIVSA-N 366.186 3.891 0 1 FHAF Nc1cncc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587254459 QLSKKDWIASSZBJ-UHFFFAOYSA-N 373.132 3.868 0 1 FHAF CCS(=O)(=O)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 586896016 FXOZIVCKBUDQCJ-UHFFFAOYSA-N 358.463 3.628 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4OC(=O)[C@@H]1C)[C@@H](C2)C3=O 587423517 UWRDBVZCEKFZGV-OWYOPICZSA-N 370.788 3.547 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC)c(Cl)cc3[nH]1)C2 587246179 DGWOUXBFRHNKMJ-LJQANCHMSA-N 357.841 3.576 0 1 FHAF O=C1c2ccc(O)cc2OC2(CCN(C3CC3)CC2)[C@@H]1c1ccc(F)cc1 587343365 KJFJAYXHUUVXFR-HXUWFJFHSA-N 367.420 3.887 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(N)cc32)N1 587747144 PGAAOABDLBODGU-XTZNXHDOSA-N 361.258 3.894 0 1 FHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587785072 KRHZRQNEPYVJRS-LSDHHAIUSA-N 364.401 3.668 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 587603253 LHIQDJLFHLBIRD-WFGYBSSSSA-N 372.420 3.870 0 1 FHAF CC(C)N1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587770642 SJRMTMRORXPCBJ-SJKOYZFVSA-N 355.295 3.822 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(-c3cccc(F)c3)c(-n3ccnc3)c2c1 587650462 WXWONVGUBWMFQF-UHFFFAOYSA-N 355.394 3.563 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)([C@@H](C)CC(=O)O)O2 587384380 LCSJUUBPEUMGHR-FKIZINRSSA-N 357.381 3.688 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn3ccnc23)N1 587774328 MMTJSTYXBKLAGN-HWPZZCPQSA-N 360.230 3.860 0 1 FHAF CCOC(=O)[C@H]1C[C@@]2(C=C1C)c1cccc(Br)c1CCN2C 963289685 QJDHHVXPLIHPPV-KSSFIOAISA-N 364.283 3.662 0 1 FHAF Cc1ccc2nc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)[nH]c2c1 962732290 ZBZNFOVSMSHAEJ-HOTGVXAUSA-N 359.351 3.606 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCC(=O)O)C1CCCCC1 963631404 DHNHOXMXVGABST-LHSJRXKWSA-N 361.482 3.878 0 1 FHAF O=C(c1csc(-c2cccc(Cl)c2Cl)n1)N1CCC(O)CC1 1772658212 ZUFJMWZCIABSLM-UHFFFAOYSA-N 357.262 3.714 0 1 FHAF O=C1NCc2c1c1c(c3c2c2ccccc2n3CCO)Cc2ccccc2-1 13530062 ZCZZYVNEKMMLLC-UHFFFAOYSA-N 354.409 3.601 0 1 FHAF COc1c(O)c(C(C)=O)c(OCc2ccc(C(=O)O)cc2)c2ccoc12 13682322 SLKFEHLKZBEQMU-UHFFFAOYSA-N 356.330 3.627 0 1 FHAF COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OC)[C@@H](C)[C@H]21 14930656 OBVLTWCOTSTMNM-MPBGBICISA-N 355.434 3.635 0 1 FHAF biogenic,in-vitro CC(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1 14976870 SLRAFPZKYWAAMQ-UHFFFAOYSA-N 357.353 3.647 0 1 FHAF COc1cccc(N2C(=O)[C@H]3C[C@H](C)c4c([nH]c5ccccc45)[C@H]3C2=O)c1 17212333 CZRACNQNAQNBFL-UVIMBBFXSA-N 360.413 3.957 0 1 FHAF Cn1c2ccccc2c2cc(COc3nccc(-c4cncnc4)n3)cnc21 169337401 OTBJGARTBYGMPV-UHFFFAOYSA-N 368.400 3.553 0 1 FHAF Cc1c(C(=O)OCc2ccccc2)[nH]c2cccc(OC3CCNCC3)c12 1857538319 LXTDBHDISDCFRA-UHFFFAOYSA-N 364.445 3.964 0 1 FHAF Cc1cc(C)cc([C@@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)c1 1857542582 QPEOIOBGLWFGJN-SFHVURJKSA-N 368.458 3.652 0 1 FHAF COc1cc(-c2nc3cccc(C)n3c2NC[C@@H]2CCCO2)ccc1O 904118 HXZMXRGDQKXTQE-HNNXBMFYSA-N 353.422 3.615 0 3 FHAF COc1cccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccncc3)cc2)c1 100106576 BXQGYQTZNOPOAJ-BKFWDETESA-N 371.484 3.697 0 1 FHAF CN(C)c1ccc(-c2cc(=O)c3cc(OCCOCCF)ccc3o2)cc1 101967372 XRLQFRHTRFJILQ-UHFFFAOYSA-N 371.408 3.891 0 1 FHAF COc1cc(OC)c2c(OC(C)=O)c3c(c(OC(C)=O)c2c1)C=C(C)OC3 28973864 JQBZQJDUXZIHKP-UHFFFAOYSA-N 372.373 3.599 0 1 FHAF Cc1ccccc1/C=C/C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1 27519561 HTHFREMZBWDQCF-XEHSLEBBSA-N 354.431 3.757 0 1 FHAF CCCN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 27853947 HZIYXEALEDKFGV-IAGOWNOFSA-N 351.402 3.751 0 1 FHAF COc1ccc(-c2ccc(C(=O)N3CCOCC3)c3occc23)c(C)c1 61926913 XIZBDDHOHBPWNA-UHFFFAOYSA-N 351.402 3.889 0 3 FHAF Cc1cc(-c2cc(C)c([C@@H]3CCCN3C(=O)c3cnccn3)cn2)ccn1 72175355 CASOIDDYMKIXSH-FQEVSTJZSA-N 359.433 3.528 0 1 FHAF CC(C)=CC[C@]12C[C@@H]3C(=O)O[C@H](CC(C)C)C(=O)N3[C@@H]1Nc1ccccc12 14594634 WLPAAGQHCJNVMM-RPHTVSPISA-N 368.477 3.605 0 1 FHAF biogenic COc1cc(Br)cc2cc(C(=O)c3ccccc3)c(=O)oc12 72175569 ISONRFMPKQQJNE-UHFFFAOYSA-N 359.175 3.795 0 1 FHAF Cc1nc(-c2nc(N3CCOCC3)ncc2-c2ccsc2)sc1C 45228621 TWKDZQFMQXBDRB-UHFFFAOYSA-N 358.492 3.782 0 1 FHAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@](C)(NC(=O)[C@H]1CC(=O)N(C3CCCCC3)C1)C2 195205742 UCFMNAYGTGRZRO-LDHQQMMRSA-N 360.542 3.889 0 1 FHAF Cc1cccnc1-c1cc(N2CCC3(CC2)CN(C)C(=O)O3)ncc1Cl 141963484 ANFTXFNLBJITGH-UHFFFAOYSA-N 372.856 3.526 0 1 FHAF O[C@@H]1CCN([C@@H]2CCCC[C@@H]2OCCc2ccccc2C(F)(F)F)C1 145390691 JJQDBGFGKHAQKP-NXHRZFHOSA-N 357.416 3.642 0 1 FHAF Cc1ccccc1S(=O)(=O)c1ccc2c(c1)c1c(n2C)C[C@H]2CC[C@@H]1N2 96175156 QHSDKVDOUICUFL-PBHICJAKSA-N 366.486 3.669 0 1 FHAF Cc1cc(C)cc(-n2ncc(Cl)c(Oc3ccc(CO)cc3)c2=O)c1 95560255 XKDNHBQJMNIODL-UHFFFAOYSA-N 356.809 3.787 0 1 FHAF Cc1ncccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1 96168817 DQWBOBVNNSWKPL-UHFFFAOYSA-N 369.428 3.663 0 1 FHAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCCCCC(=O)Nc3ccc(cc3)[C@H]1C2 261115694 IRVGZJHWMUWHKA-NMLBUPMWSA-N 370.493 3.699 0 1 FHAF CN(C)CCN=c1cc(/C=C/c2ccccn2)[nH]c2ccc(Cl)cc12 2382220139 OXFXWOKXSSBAQR-BQYQJAHWSA-N 352.869 3.849 0 1 FHAF C[C@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccccc1 653822641 KMEFRALRCVMIOU-HNNXBMFYSA-N 363.417 3.811 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(-c4cccs4)n(C)n1)[C@@H](C2)C3=O 587449171 FRIUWZVZQZUHOI-BUXKBTBVSA-N 352.415 3.646 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)C)nn(C)c1OC)CC2=O 587474065 ADHSJNXSJAHFBH-MRXNPFEDSA-N 358.438 3.917 0 1 FHAF COc1ccc(-c2n[nH]cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441363 SMVNVMXWUDGPNM-VFNWGFHPSA-N 362.385 3.583 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3cc(Br)c(C)nc3[nH]2)c1C 587238525 CBZLBGSHLMLDAD-UHFFFAOYSA-N 373.254 3.827 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2c1 587938588 XTLYLNHFYGYICV-RBZFPXEDSA-N 368.433 3.514 0 1 FHAF Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)sc1C 587276003 JGIZPQONNOQPCI-UHFFFAOYSA-N 366.236 3.992 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nonc23)N1 587793791 LDJGPCXUPDCDFY-BCTVWOGZSA-N 362.202 3.748 0 1 FHAF COC(=O)Cc1ccccc1-c1nc2cc(Br)cc(F)c2[nH]1 587783215 IMLHVLXOYMXFJP-UHFFFAOYSA-N 363.186 3.847 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(COCc3[nH]ccc32)[C@@H]1c1ccc(F)cc1 587346717 MYXBMJHLHVRKDK-CTNGQTDRSA-N 365.360 3.644 0 1 FHAF CCOC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347028 KPJUUFRVDBEUQS-CTNGQTDRSA-N 372.392 3.992 0 1 FHAF Cc1ccc(-n2cnnc2SCc2nc3cnccc3[nH]2)cc1Cl 586967934 JMJWYGKUTKKNCP-UHFFFAOYSA-N 356.842 3.793 0 1 FHAF Cc1cccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c12 587181829 FIFYAXXSDCQMOM-SNVBAGLBSA-N 366.206 3.590 0 1 FHAF CC[C@H](Oc1ccccc1F)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587154605 FZDCFCAOBCWOPR-IBGZPJMESA-N 368.456 3.984 0 1 FHAF CC[C@H]1OCCC[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586914881 ZEJRHVJXGCJAKT-BXKDBHETSA-N 353.216 3.696 0 1 FHAF Cc1oc2c(c1-c1nc3ccc(OCCN(C)C)cc3[nH]1)C(=O)CCC2 586903513 LBBCVKRVEUFIGT-UHFFFAOYSA-N 353.422 3.591 0 1 FHAF CC1(C)CCc2cc([C@@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)ccc2O1 962916319 CSXJKYFNDPXMKC-HKUYNNGSSA-N 355.409 3.618 0 1 FHAF COc1ccc2c(c1)[C@@](Cc1ccc(F)cc1)(C(=O)O)N(C(C)C)CC2 962091039 KRBRBTJSSKXJHE-NRFANRHFSA-N 357.425 3.623 0 1 FHAF CCN1c2ncccc2C(=O)Nc2c(Cc3ccccc3)cc(OC)nc21 5842168 WURMFVKBGLIVHQ-UHFFFAOYSA-N 360.417 3.800 0 1 FHAF CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3ccc(Cl)cc23)C1=O 13587554 DGBCDROVIHLAKA-UHFFFAOYSA-N 370.821 3.654 0 1 FHAF O=C(c1ccccc1)N(CCO)[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 205860725 XULKBEPUVAFHLX-NRFANRHFSA-N 371.440 3.787 0 3 FHAF CCOC(=O)C1=C(C(C)C)NC(=S)N[C@H]1/C=C/c1ccc(Cl)cc1 1857577029 XYEIFLDSWWZIGB-RNVIBTMRSA-N 364.898 3.673 0 1 FHAF CN=c1[nH]c2cnc(Nc3cccc(NC(C)=O)c3)cc2n1-c1ccccc1 1857587864 GJWCXBWMFJRNTA-UHFFFAOYSA-N 372.432 3.586 0 1 FHAF O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCCCC1 1329124 GMNBZMJVAZQYMU-UHFFFAOYSA-N 352.463 3.730 0 3 FHAF C[C@H](NC(=O)c1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356302103 LYURRJTZQBMDBH-NSHDSACASA-N 354.337 3.670 0 1 FHAF CC(C)Oc1ccc(CNC(=O)c2ccc3c(c2)N(C)CCS3)cc1 6750880 LBHWCHDGXKVYSA-UHFFFAOYSA-N 356.491 3.946 0 3 FHAF O=C1Nc2ccc(F)cc2[C@H]1CCCCN1CCN(c2ccccc2)CC1 29055379 IBBIDLLHDNJIPV-LJQANCHMSA-N 367.468 3.854 0 1 FHAF CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C2 101384514 OUKMKZRIJHPMFI-MAZCYNQFSA-N 352.837 3.749 0 1 FHAF Cc1ccc(OCCCCCCN2CCNCC2)c(Br)c1 22590130 HRTMRFLKYRRWRK-UHFFFAOYSA-N 355.320 3.602 0 3 FHAF O=C(c1ccc(F)cc1)N1CCc2nc(COc3ccc(F)cc3)oc2C1 113228964 IYECCJJTNZIOAE-UHFFFAOYSA-N 370.355 3.730 0 1 FHAF COc1cc(COCC=Cc2cc(OC)c(OC)c(OC)c2)ccc1O 2356513232 WHWQODMTPANPLY-UHFFFAOYSA-N 360.406 3.657 0 1 FHAF Cc1cc2nc(CO[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3F)[nH]c2cc1C 2356521310 RISOSVMGECRIAR-VQIMIIECSA-N 367.424 3.559 0 1 FHAF CCOC(=O)c1cccc(OC[C@@H](CC)OC(=O)NCc2ccccc2)c1 38231151 QMRJXGISAOOXKD-GOSISDBHSA-N 371.433 3.947 0 1 FHAF CC(=O)Nc1cc(F)c(C(=O)O)cc1NC(=O)c1ccc2ccccc2c1 43060596 MLNVGVSDROCSCX-UHFFFAOYSA-N 366.348 3.888 0 1 FHAF O=C1C(=O)N(Cc2c(F)cccc2F)c2ccc(OC(F)(F)F)cc21 40833743 AYRKYVNIAKPFKS-UHFFFAOYSA-N 357.234 3.593 0 1 FHAF CCCCOCCOC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82086406 OQUOSEIXNOEKCV-UHFFFAOYSA-N 365.451 3.801 0 1 FHAF CCCc1nc2c(NCc3cccc(F)c3)ncnc2n1C[C@H]1CCCO1 82221842 QVSHKJLWVWQSSE-MRXNPFEDSA-N 369.444 3.709 0 1 FHAF COC(=O)/C=C/c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 45315033 BZMKPFUJLLMWKQ-NPMOGHLISA-N 373.880 3.780 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(C(C)C)cn3)C2)cc1 142280860 RQMBYNLMFIOWBV-HNNXBMFYSA-N 353.466 3.670 0 1 FHAF CC[C@H](C)c1nc2nc(N(C)[C@@H](C)[C@@H](O)c3ccccc3)ccc2nc1O 299884573 UBKAPPMRBPLXAW-CKFHNAJUSA-N 366.465 3.802 0 1 FHAF CCCCOc1c(OC)ccc2cc(C(=O)NC(CC)CC)c(=O)oc12 299871638 YYAWWKUYRIMBKL-UHFFFAOYSA-N 361.438 3.899 0 1 FHAF O=C(NC(=O)c1c(O)cccc1O)N[C@@H]1c2ccccc2[C@@H]2CCCC[C@H]12 653794446 UKHSLTFJOOHTDO-ZUEVXXBESA-N 366.417 3.566 0 1 FHAF COc1ccccc1CC(=O)c1nc2cc(OC(F)(F)F)ccc2[nH]1 587932219 VZSOEMFYSHYDTF-UHFFFAOYSA-N 350.296 3.896 0 1 FHAF CCOC(=O)[C@@H](CC)[C@]1(COC)CC(=O)c2ccc3c(c2O1)CCCC3 587520560 FIUFCUXALPEUAC-DYESRHJHSA-N 360.450 3.505 0 1 FHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc3ncccc3c2[nH]1 587194147 MOMDOHMXSYFGAI-MRXNPFEDSA-N 369.469 3.629 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc[nH]c2=N)N1 587692838 LXGJWPSLQUKOIY-JKYUHCHBSA-N 370.653 3.673 0 1 FHAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587938771 ZWMAJMGKSDDXNV-BUXKBTBVSA-N 354.406 3.570 0 1 FHAF Cc1nc(-c2ccccc2F)sc1-c1ccc2c(O)nc(O)nc2n1 587368495 RDBRLZZPTBXLCN-UHFFFAOYSA-N 354.366 3.674 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cccs2)N1 587845705 FMXXTNHNLXNKON-ANRSDYALSA-N 370.243 3.512 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)OC)c1C)CC2=O 587487391 WWUWIIHOETVFEL-OAQYLSRUSA-N 371.433 3.957 0 1 FHAF CCCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)n1 587381227 DCBRNEXGAKFSBM-CQSZACIVSA-N 353.344 3.909 0 1 FHAF C[C@]1(C2(C(=O)O)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354209 PVQMIEGBGKRNKY-APWZRJJASA-N 356.349 3.514 0 1 FHAF Cn1cc2c(n1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987947 IIOHDZDZFYPXSQ-UHFFFAOYSA-N 353.381 3.651 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(O)c3[nH]2)cc1 587041518 WQSNHIYZXJGPOB-HNNXBMFYSA-N 369.446 3.555 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn3ccc(Br)cc3n1)O2 587372859 NDQSEGKCXNPJIZ-OAHLLOKOSA-N 372.222 3.694 0 1 FHAF O=C(Nc1ccccc1)C1=C[C@H](c2ccccc2)C[C@H](OCCCCO)O1 12482220 BGOHOSUKIBQUFI-GHTZIAJQSA-N 367.445 3.828 0 3 FHAF Cc1ccc(-n2nc(C)c3c2OS(=O)(=O)C[C@@H]3c2ccccc2)cc1C 1857565094 JNSFRFCCNZHHQO-GOSISDBHSA-N 368.458 3.652 0 1 FHAF NC(=S)c1cccc(-n2cc(CC(CF)CF)c3cc(N)ccc32)c1 1857585295 YTOADSKDRVYTTG-UHFFFAOYSA-N 359.445 3.945 0 1 FHAF CO[C@H]1CCC(=O)c2c([C@@H]3CCC(=O)c4c(O)cccc43)ccc(O)c21 1857612480 PGAIASPBYDNKOC-ZMZPIMSZSA-N 352.386 3.870 0 1 FHAF C=CS(=O)(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 1857620876 XDGZXGLFAGJZJG-UHFFFAOYSA-N 352.415 3.977 0 1 FHAF Cc1nnc2sc(C(=O)N3C[C@@H](c4ccccc4)[C@H]3C)c(N)c2c1C 1857753797 BLGSHGFWEVNFQT-TZMCWYRMSA-N 352.463 3.518 0 1 FHAF O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 3955980 LPFPCWVNHXSBMZ-QFIPXVFZSA-N 352.453 3.954 0 1 FHAF CS(=O)(=O)Nc1ccc(Nc2ccnc3ccc4[nH]ccc4c23)cc1 6009954 QMKYTDAJTNIVGV-UHFFFAOYSA-N 352.419 3.831 0 1 FHAF O=S1(=O)C[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)C1 103278849 XDDLYWOSAJDFKL-HOTGVXAUSA-N 356.274 3.794 0 1 FHAF O=C1c2ccc(-c3ccc(F)c(F)c3)cc2CCN1CCN1CCCC1 59113818 GYCYFTUXIPKESF-UHFFFAOYSA-N 356.416 3.726 0 1 FHAF Cc1cc(OCc2ccccc2)cc(C)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 29406068 ZDJABRMTSSZJFJ-HKVOBHHDSA-N 352.430 3.962 0 1 FHAF NC(=O)C1CCN(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)CC1 36380779 NVHBGNJYOYEODQ-UHFFFAOYSA-N 355.385 3.531 0 1 FHAF C[C@@H]1Nc2[nH]/c(=N\C(=O)Oc3ccccc3)cc(N)c2N=C1c1ccccc1 34085303 FRUHPJRHWBHIHK-ZDUSSCGKSA-N 373.416 3.631 0 1 FHAF Cc1ccc2c(n1)OC[C@H]2NC(=O)Cc1c(C)cc(Cl)cc1Cl 146611926 SAFVDKANKKOGDY-OAHLLOKOSA-N 351.233 3.798 0 1 FHAF COc1cccc(OC)c1O[C@H](C)[C@@H](O)c1ccc2c(c1)OC(F)(F)O2 84739087 CQWUVEFKZGIXFL-QLJPJBMISA-N 368.332 3.526 0 1 FHAF Cc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)cc1 96175131 ACTCFROLKGYJMD-KBXCAEBGSA-N 366.486 3.669 0 1 FHAF CC(=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 95574680 PTPXOEDNFHJBRH-UHFFFAOYSA-N 373.840 3.698 0 1 FHAF COc1cccc(OC)c1OCc1ccc(C(=O)Nc2nc(C)cs2)o1 95755597 DOSWQUFLVGRCLT-UHFFFAOYSA-N 374.418 3.893 0 1 FHAF C[C@@H](NC(=O)Nc1cc2[nH]nc([C@H]3CC3(F)F)c2cn1)c1ccccc1 261169252 SNZJMZZLTDPBBU-ZWNOBZJWSA-N 357.364 3.963 0 1 FHAF CC[C@H](O)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1cccc(F)c1 299851128 YTAIQPBOMZUBRC-KRWDZBQOSA-N 354.381 3.825 0 1 FHAF COc1ccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1 299831625 JVYZZVMFKUDDFA-UHFFFAOYSA-N 359.433 3.582 0 1 FHAF COC1CN(c2ccc3cncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1 653834563 SLMBTUSZZKPYMQ-UHFFFAOYSA-N 371.444 3.532 0 1 FHAF Oc1nc(O)c2ccc(-c3ccc4ccccc4c3OC(F)F)nc2n1 587368784 WWEMRQIJHZENKX-UHFFFAOYSA-N 355.300 3.858 0 1 FHAF CCCc1sc(=N)[nH]c1-c1nc2ccc(F)c(Br)c2[nH]1 587013682 WUWKCGCWJHQXMC-UHFFFAOYSA-N 355.236 3.953 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC[C@@H]3CCCO3)cc1)O2 587407178 ANLKOGHMYNPIPK-OXJNMPFZSA-N 353.418 3.842 0 1 FHAF COc1ccc(CCCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1OC 587925965 UQQFJRACOBGLGJ-UHFFFAOYSA-N 368.433 3.917 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 587351972 LLYSJOJREONJNS-GIWSNZPPSA-N 370.376 3.904 0 1 FHAF CCOC(=O)CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800259 WKNRIMYPJAOSRZ-HWPZZCPQSA-N 358.251 3.681 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(CS(=O)(=O)c1ccccc1)CC2=O 587481247 AMHCFZLOYDZLDU-FQEVSTJZSA-N 374.458 3.543 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(OC)c(N)c31)CC2=O 587473720 ZZAGBQDOFRGGIJ-OAQYLSRUSA-N 353.418 3.742 0 1 FHAF COc1cccnc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589346 UVHAYEBODKDKPL-DYESRHJHSA-N 363.369 3.673 0 1 FHAF CC[C@]1([C@H]2CCCNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598977 ZHILDYHWSGBLDE-FIKMYACPSA-N 353.418 3.502 0 1 FHAF CCOc1n[nH]c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1Br 586980187 QFWYPDKSYPTCQN-UHFFFAOYSA-N 359.586 3.907 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccc4)C[C@H]1C)[C@@H](C2)C3=O 587439593 VJYSLEUGPZWTKE-BIFSNJIPSA-N 363.457 3.723 0 1 FHAF CCOC(=O)[C@H](C)[C@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448751 BXFAZVXOBQELPU-CJAGKMTESA-N 372.442 3.599 0 1 FHAF CC(C)[C@@]1(c2nccn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587753836 JXPALPAVENXSSX-PIGZYNQJSA-N 366.278 3.756 0 1 FHAF Cc1ccccc1-n1c(CC(=O)c2ccccn2)nc2ccccc2c1=O 5783187 JBRHOOQOZOUZSE-UHFFFAOYSA-N 355.397 3.515 0 1 FHAF O=C(NC(=O)c1ccccc1Cl)Nc1ccc(C(=O)O)cc1Cl 13673927 AWDOJDISIPZTPA-UHFFFAOYSA-N 353.161 3.654 0 1 FHAF CN(C)c1cc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c(F)c1 13759879 CTKOUWBTBJGZKA-UHFFFAOYSA-N 370.856 3.608 0 1 FHAF in-vivo COc1ccc(-c2nnc([C@@H](NCc3ccccc3)c3ccc[nH]3)o2)cc1 169307891 QMBBPUZJBZGPGW-IBGZPJMESA-N 360.417 3.953 0 1 FHAF Cc1cccc(CN=c2[nH]c3cnc(Nc4cccc(O)c4)cc3n2C)c1 1857607466 SGKIHGPQXKLOCA-UHFFFAOYSA-N 359.433 3.760 0 1 FHAF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1CCC(=O)O 1857771288 BDPGBDNLQDXZRC-UHFFFAOYSA-N 370.493 3.894 0 1 FHAF CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N(C)C 772550 WFOVKPRWVZEVGE-HKUYNNGSSA-N 372.852 3.919 0 1 FHAF CC(=O)Nc1cc2c(nc1C)nc(C)n2Cc1ccc(Br)cc1 4904492 GDBFFIHZUWCWKU-UHFFFAOYSA-N 373.254 3.817 0 3 FHAF C[C@H](C(=O)NCCc1ccc(Cl)cc1)n1sc2ccccc2c1=O 6799873 PPWHXTMCYJOYNW-GFCCVEGCSA-N 360.866 3.636 0 1 FHAF C[C@@H]1CCCN1CCN1CCc2cc(-c3ccc(F)cc3)ccc2C1=O 59114028 PESOUNLSPHQJGL-MRXNPFEDSA-N 352.453 3.975 0 1 FHAF COC(=O)[C@@H]1CC[C@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CCc1ccoc1 2356396409 KAQREUHMTOCSOV-OQRYQMPQSA-N 358.434 3.681 0 1 FHAF CCOC1(OCC)[C@@H]2c3cc(OC)ccc3[C@@H]([n+]3ccccc32)C1(C)C 27517567 AIUHBWFVRAAPLW-WOJBJXKFSA-N 354.470 3.827 0 1 FHAF NCCNCCCCCCn1c(-c2ccc(O)cc2)cc2ccc(O)cc21 29406194 OQGNMWHSGQTQPF-UHFFFAOYSA-N 367.493 3.828 0 1 FHAF c1cc(OC2C[C@@H]3CC[C@@H](C2)N3)c2nc(-c3nnc4ccccn34)ccc2c1 117662225 OPXDNPAGMKMBTA-HOTGVXAUSA-N 371.444 3.606 0 1 FHAF COc1cccc(Cn2ncc3c4sc(SC)cc4n(C)c3c2=O)c1 64581849 SSZLVZZMLISZSY-UHFFFAOYSA-N 371.487 3.729 0 1 FHAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)Cc2ccc3ccccc3c2)C1 61925964 JFWKNASGSKFQCX-QFIPXVFZSA-N 352.478 3.537 0 3 FHAF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@H]1C(CO)=C[C@@H]1C[C@@H](C)C[C@H]12 2356681606 ZXELCOUFXAXDQB-MJHFCOJQSA-N 372.461 3.552 0 1 FHAF COC(=O)[C@@H]1C[C@@]23C4=NC[C@H](C)[C@@]45CC[C@@]2(C)[C@@H](CCC2=C3[C@H]1CC2)[C@@H]5O 2356726534 XGNHYBVLNTWPIF-RTYAQQNNSA-N 369.505 3.534 0 1 FHAF CN(C)CCOc1ccc2sc3ccc(OCCN(C)C)cc3c2c1 39208145 QNADTJLLHQAWTQ-UHFFFAOYSA-N 358.507 3.935 0 1 FHAF O=C(O)[C@@H]1CSc2c(C3CC3)c(Cc3ccc4[nH]ccc4c3)cc(=O)n21 71316014 KHIJCKZDZQLMMZ-INIZCTEOSA-N 366.442 3.529 0 1 FHAF CCCCC[C@H](O)CCC[C@@H](CCCCCCC(=O)O)S(C)(=O)=O 59381314 JJUSAJSCYGSBSG-DLBZAZTESA-N 364.548 3.936 0 1 FHAF COc1cc(CC/C=C/[C@H](O)CCc2ccc(O)c(OC)c2)ccc1O 49066601 HWOXGDKTRZYALJ-YXMMZVCTSA-N 358.434 3.598 0 1 FHAF O=C(N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1cccs1 199716076 IMXWUUYBZLDPDL-OAHLLOKOSA-N 362.882 3.713 0 3 FHAF C[C@@H]1CN(c2cc(/C=C/CO)nc3cc(F)c(Cl)cc23)C[C@@H](C)O1 96935462 YWRPHXMRUYEACS-BLDJZWNYSA-N 350.821 3.646 0 1 FHAF COC(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419899 FVKDTYMSJVXFQI-FOIQADDNSA-N 372.804 3.555 0 1 FHAF Cc1nn(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587697668 ORGAHLGANXMPQZ-JKYUHCHBSA-N 372.669 3.907 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2c(Br)cccc2[nH]1 586967296 TXHPTYYLNJICAN-UHFFFAOYSA-N 364.224 3.564 0 1 FHAF O=C1O/C(=C/c2nc3ccc(Br)c(O)c3[nH]2)c2ccccc21 586905810 CRFDDXPTNREZJG-KPKJPENVSA-N 357.163 3.700 0 1 FHAF NC(=O)c1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587016868 DISYMEOBOGSEJP-UHFFFAOYSA-N 355.810 3.501 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nccs1 587863753 GUKBBRSRZQHXCQ-UHFFFAOYSA-N 353.325 3.723 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1O 587611885 UMNQYMUROWIOLH-FXAWDEMLSA-N 350.326 3.506 0 1 FHAF CCOC(=O)C(=O)[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526674 ZCWHHMWDCSJNLG-VGSWGCGISA-N 370.445 3.592 0 1 FHAF CC[C@@]1(c2ccnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587760660 PNNACAXGTCZWGN-HWPZZCPQSA-N 352.251 3.510 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCC(=O)O)N1 587828325 OSMSDKVIIIUZQO-QLJPJBMISA-N 358.251 3.983 0 1 FHAF COc1cccc(-c2ncc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 587393565 IYRVQRXDZZGHIB-IBGZPJMESA-N 361.401 3.749 0 1 FHAF CC(=O)Nc1ccc2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 587390650 PFOOEMDLHCYUOI-HXUWFJFHSA-N 361.401 3.790 0 1 FHAF CN1C/C(=C\c2cccs2)C2=NC(=S)N[C@@H](c3cccs3)[C@@H]2C1 6010055 FMDRPUQOKDUQEP-KFUCAUQGSA-N 359.545 3.825 0 1 FHAF Nc1c(C(=O)c2cc3ccccc3o2)cnn1-c1cc(O)ccc1Cl 1772588893 PHGFCPRSBHSCCN-UHFFFAOYSA-N 353.765 3.791 0 1 FHAF C[C@H](NC(=O)c1ccc(-c2cn[nH]c2)c([C@@H](C)O)c1)c1ccccc1F 1772645519 LYLJYIZTSPUCNP-QWHCGFSZSA-N 353.397 3.760 0 1 FHAF CCOc1cccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1 1772645561 QIMKTIRSJFNTJT-KSFYIVLOSA-N 368.477 3.940 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](n1ccnc1)C2=O 5543055 YDDFIFPOTRPTLE-ILLNNANOSA-N 354.494 3.927 0 1 FHAF CCCC(=O)c1c(O)c2c(c3c(CCC)cc(=O)oc13)O[C@@H](C(C)(C)O)C2 13429607 JTNLBEFPCCWLNM-CQSZACIVSA-N 374.433 3.508 0 1 FHAF endogenous,in-man Fc1cc2c(c(OCCNCCc3c[nH]c4ccc(F)cc34)c1)OCC2 13581119 VRHDCZABKKGHEU-UHFFFAOYSA-N 358.388 3.592 0 1 FHAF Cc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1-n1cccc1 13746294 CHSPNPXDCSGELC-SANMLTNESA-N 362.458 3.674 0 1 FHAF COC(=O)[C@H]1C(C)=NC(=S)N[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 169691219 CWHULRFROPCFJI-LSDHHAIUSA-N 362.838 3.779 0 1 FHAF CN1C(=CC=C2C=c3ccccc3=N2)C=C(N2CCCCC2)c2ccccc21 1857594379 JQMPBVPLEIMOOM-UHFFFAOYSA-N 367.496 3.845 0 1 FHAF CC(C)NC(=O)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 866024 ORGDZNBZPDGUAN-UONOGXRCSA-N 370.350 3.821 0 1 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@H](C2)[C@H]1[C@H](C)CC(=O)C3 101799734 VDSHRIABCYXDCJ-IXMYNVIJSA-N 353.506 3.979 0 1 FHAF CCCCNC(=O)c1onc(CSc2ccccc2CC)c1C(=O)O 8672358 FDCYEJDUYFLHBT-UHFFFAOYSA-N 362.451 3.757 0 3 FHAF CCO/C(O)=C1\C(C)=Nc2nc(SCC)nn2[C@H]1c1ccc(OC)cc1 101749997 SZIVARKSZDTPHQ-IDTYTIONSA-N 374.466 3.900 0 1 FHAF O=C(O)CCC1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccccn1 58506174 XDVMLPSBNKWNJK-KRWDZBQOSA-N 373.865 3.530 0 1 FHAF Cc1nccn1CC[C@H](C(N)=O)C1c2ccccc2CCc2ccccc21 26261965 NXVDNLZAOMLBSA-NRFANRHFSA-N 359.473 3.614 0 1 FHAF CCOc1cccc(-c2nc(CN3CCC[C@H]3CN3CCCC3)co2)c1 72185686 LLUPEYRYMWCQEM-IBGZPJMESA-N 355.482 3.801 0 1 FHAF Clc1ccccc1Oc1cc(N2CCN(c3ccccn3)CC2)ncn1 82067414 GWQAKFSZXUMSRH-UHFFFAOYSA-N 367.840 3.644 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]2CC[C@@H]1C3 238763800 PTVDSZPMJVQUCE-SQXXJVNJSA-N 362.510 3.892 0 1 FHAF CCCCC/C=C\[C@H](O)/C=C\CCCCCCCC(=O)OC[C@H](O)CO 238738436 MRBYNZWOAUWCJR-AGPBCVJHSA-N 370.530 3.667 0 1 FHAF COC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2ccc(OC)cc12 95582403 MESYZYRYLJOPFB-UHFFFAOYSA-N 351.402 3.671 0 1 FHAF C[C@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587171318 MAYXJUOZVDLPAL-SNVBAGLBSA-N 357.410 3.929 0 1 FHAF COC(=O)c1ccc(Oc2ccc3nc(-c4cncc(N)c4)[nH]c3c2)cc1 587254908 YECQBPZDKBBRAW-UHFFFAOYSA-N 360.373 3.786 0 1 FHAF C/C=C/C[C@@H]1C[C@]2(C[C@H]1CC(=O)OC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441714 HAFZWMWCGOTGPX-SEXLNJIUSA-N 370.445 3.737 0 1 FHAF O=C(O)/C=C/C=C\c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 587969677 UZQYGQCLADSOLW-HSFFGMMNSA-N 361.117 3.998 0 1 FHAF CC1=C(c2ccc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3c2)NNC(=O)C1 586888710 LSTJQABTTKEQTM-HXOBKFHXSA-N 370.456 3.690 0 1 FHAF COC(=O)c1ccc(C=O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523454 IXRSYNSZVAKOPY-FQEVSTJZSA-N 364.397 3.871 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccnc2Cl)N1 587701124 AGCJLKJEHLANBW-MADCSZMMSA-N 356.626 3.655 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnco1 587863875 CQOSFHDQDGICES-UHFFFAOYSA-N 351.284 3.644 0 1 FHAF C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873167 CYQWIVMFSZQWOH-SNVBAGLBSA-N 368.320 3.631 0 1 FHAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(O)nc(S)nc2[nH]1 587065866 ATNGHWKIUYTZNJ-UHFFFAOYSA-N 357.826 3.767 0 1 FHAF COc1ccccc1-c1ccc(-c2nc3nc(=N)[nH]c(Cl)c3[nH]2)cc1 587931493 JKPBXGDGQQZMJR-UHFFFAOYSA-N 351.797 3.761 0 1 FHAF CCCCC[C@]1(c2cn(C)nc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430734 GOMKNOYIDBIQAY-IERDGZPVSA-N 354.450 3.960 0 1 FHAF CCOc1ccc(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 587944123 BXJLVAQFPVNANZ-UHFFFAOYSA-N 361.398 3.803 0 1 FHAF CCn1nccc1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963092 XGEVWRGPAUBVKZ-KRWDZBQOSA-N 365.399 3.663 0 1 FHAF CN1CCc2cn(C)nc2[C@H]1c1ccc(OCc2cccc(F)c2)cc1 963953847 DKHSMMBNDROEOA-OAQYLSRUSA-N 351.425 3.716 0 1 FHAF Nc1noc2ccc([C@@H]3NC4(CC4)Cc4ccc(Br)cc43)cc12 961610257 BCNSRRJLCPLRDI-INIZCTEOSA-N 370.250 3.940 0 1 FHAF COc1cccc(CO)c1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772572942 FHGJZTCELZXJIY-MRXNPFEDSA-N 371.364 3.588 0 1 FHAF COc1cc2cc(CCC(C)=O)c3c(c2cc1OC)C[C@@H]1CCCN1C3 14829387 FMOOLBLKBMPLJD-KRWDZBQOSA-N 353.462 3.899 0 1 FHAF biogenic,in-vitro C[C@H](c1cccc(-c2cccc(C(N)=O)c2)c1)c1n[nH]c(=O)c2c1CCCC2 169194797 NWZKLXGLXQEEBI-CQSZACIVSA-N 373.456 3.566 0 1 FHAF Nc1ccc2c(c1)[C@@H](c1[nH]c3ccc(Br)cc3c1N=O)C(=O)N2 169722506 IAIAMJGKNFAHJZ-ZDUSSCGKSA-N 371.194 3.995 0 1 FHAF COc1ccccc1[C@H](O)c1nc(C(=O)Nc2ccc(F)cc2)cs1 206016457 OIVQGYFVTDYZJD-INIZCTEOSA-N 358.394 3.625 0 3 FHAF FC(F)(F)c1cccc(-c2nc3cc(N=c4cncc[nH]4)ncc3[nH]2)c1 1857761490 RJYIGPSTLPRBKQ-UHFFFAOYSA-N 356.311 3.599 0 1 FHAF O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccccn1)CC2 4238116 LQIDWKRCQCBLCB-UHFFFAOYSA-N 353.441 3.744 0 1 FHAF COc1ccc(NC(=O)/C=C/n2cnc(-c3cccc(Cl)c3)n2)cc1 115885284 LBNWRDCVNGUTBP-MDZDMXLPSA-N 354.797 3.717 0 1 FHAF C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 29462677 HRGMOLOUFOLRGV-ILMGOGQSSA-N 357.372 3.641 0 1 FHAF CCOCCN(CC[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)NCCCc1ccncc1 64633950 KRSDJLKUOZHTKR-PWRODBHTSA-N 373.541 3.889 0 1 FHAF CCOC(=O)[C@H](Cc1cncn1CC)Nc1nc2cc(C(C)C)ccc2o1 28015977 PDSXEULOEHKDEA-KRWDZBQOSA-N 370.453 3.754 0 1 FHAF CCc1ncnc(N[C@H](C)c2ccc3c(c2)N(C(C)=O)CCO3)c1Cl 28887612 QZQKFMWKYPVQDT-LLVKDONJSA-N 360.845 3.611 0 1 FHAF C/C(=C\[C@@H](O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(C)C 27883002 RGNJDHHFPNONLY-HVZWQARRSA-N 354.531 3.605 0 1 FHAF O=C(c1ccc(C2(C(F)(F)F)OCCO2)s1)N1CCc2ccccc21 29069809 MVRGRHBHMYHWRI-UHFFFAOYSA-N 369.364 3.713 0 1 FHAF CC(=O)[C@@]12CCC(C)=CC[C@]13CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)O)OC3=O 70455100 RLMSZFYLXGZYPL-JOCRUOLFSA-N 372.461 3.991 0 1 FHAF biogenic,in-vitro CNC(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(CN(C)C)c1 40933525 RMKQQVTXLRWNDV-UHFFFAOYSA-N 368.355 3.799 0 1 FHAF Fc1ccc(-c2nc(N3CCOCC3)nc3c2CCc2ccccc2-3)cc1 45252999 SQHXDFRRZXBEAN-UHFFFAOYSA-N 361.420 3.885 0 1 FHAF O=C(NCC1CC1)c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1 82139624 ZBQMLHKOTQUMLD-UHFFFAOYSA-N 354.429 3.777 0 1 FHAF CC(=O)O[C@H]1[C@@H]2C(C)=CC=C[C@@]2(C)C(=O)C[C@H]2[C@]1(C)CC[C@@]2(O)C(C)C 238737373 NCRFOCSSFDGHIA-HPMPOATDSA-N 360.494 3.833 0 1 FHAF CSc1ccc([C@@H]2SCC(=O)N2CCCN2CCCCC2)cc1 147890312 MLOPFWFUHVMJBX-SFHVURJKSA-N 350.553 3.859 0 1 FHAF NC(=S)N1Nc2onc(-c3ccccc3)c2[C@H]1c1ccc(Cl)cc1 473119802 MOBSUSSADOZQJC-OAHLLOKOSA-N 356.838 3.971 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc3C2=O)N1 587816802 DKAPSMUNDVIZGC-MLCYQJTMSA-N 360.226 3.757 0 1 FHAF Cc1ccc([C@]2(CN)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587579455 NOJOIRJEODFITN-UGKGYDQZSA-N 361.397 3.516 0 1 FHAF COC(=O)Nc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cn1 587244758 JZWNFUUSYWWOFD-UHFFFAOYSA-N 374.404 3.635 0 1 FHAF CCOC(=O)[C@@H]1CC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587797979 NIBOZFRGEMAFLZ-GSDQYQHOSA-N 370.262 3.681 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)COC3)N1 587832776 CWINUDDNSSRUHP-LLVKDONJSA-N 354.263 3.908 0 1 FHAF C[C@]1(c2ccncc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573132 XVEBPSITCBHBBC-FXAWDEMLSA-N 351.333 3.803 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@H]1N(C(=O)OC(C)(C)C)C3)O2 587397985 DDTGDTYQRNMDBN-PJUBBZNESA-N 372.465 3.701 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CC3CCN(CC3)C2)[C@@H]1c1ccc(F)cc1 587344813 HKGGCMSZLHDMQB-IFMALSPDSA-N 367.420 3.745 0 1 FHAF COc1cc(/C=C\c2nc3c(Cl)ncnc3[nH]2)ccc1Br 586977595 RODICMNMHVEMPE-HYXAFXHYSA-N 365.618 3.948 0 1 FHAF CCCCc1ccc(-n2c(O)cc(C(=O)O)c2O)c(Br)c1 587935925 HFKYURPHGHACLX-UHFFFAOYSA-N 354.200 3.692 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(CC(C)C)c1Cl)[C@@H](C2)C3=O 587420824 JGSYRPBAURPHFQ-UGSOOPFHSA-N 360.841 3.998 0 1 FHAF CCn1cc([C@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587583736 XDFGZVJOKFRTOE-RXVVDRJESA-N 364.401 3.876 0 1 FHAF Cc1nn(C)cc1-c1[nH]c2cc(Cl)c(F)cc2c1CN1CCOCC1 587631954 NLWGJDJLGCFWNP-UHFFFAOYSA-N 362.836 3.502 0 1 FHAF CCCCOc1cccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587652657 XVWGLOAOGHYQSZ-UHFFFAOYSA-N 356.809 3.917 0 1 FHAF Cc1cnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]1 587345047 IHKCMPJKHDUVIY-XLIONFOSSA-N 352.365 3.837 0 1 FHAF Fc1ccc([C@@H]2C[C@H]3CC[C@H](N3)[C@H]2COc2ccc3c(c2)OCO3)cc1 13776985 HAHQKXHPHSTOFJ-BVBHFADKSA-N 355.409 3.858 0 1 FHAF COc1ccc(C(=O)N2CCC(c3noc4ccccc34)CC2)cc1OC 206035388 HXQFOOLOMXPFHA-UHFFFAOYSA-N 366.417 3.865 0 3 FHAF CC(=O)Oc1cc(O)c2c(c1)C=CCCCC(=O)CCC[C@H](C)OC2=O 1857627612 CTKJAUGEWDLMLQ-ZDUSSCGKSA-N 360.406 3.799 0 1 FHAF Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3ccccc3)cc1)CCN2 29049414 XSWWFHORGNASLK-UHFFFAOYSA-N 373.420 3.639 0 1 FHAF Cc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@@H]4CCCN4)c3c2)cc1 28521453 GHIHEXITYPJDFJ-INIZCTEOSA-N 369.490 3.572 0 1 FHAF O=C1NC(=S)[C@H](c2ccc(F)c(F)c2F)N1c1ccc2[nH]cnc2c1 113894388 NGJZDGZTGWZQHU-AWEZNQCLSA-N 362.336 3.579 0 1 FHAF CC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCc2ccccc2)[nH]n1 61906767 OQXPLUSSTNBHJB-UHFFFAOYSA-N 353.397 3.933 0 3 FHAF O=C(NCCCN1CCC[C@@H]2CCCC[C@@H]21)c1cc(Cl)ccc1O 29400697 QYWUJPHKIYSCDR-YOEHRIQHSA-N 350.890 3.820 0 1 FHAF CC=C(C)[C@@H]1O[C@](O)([C@@H]2C[C@H](CC(C)C)NC2=O)C[C@H]2CC=C(C)C[C@H]21 2356395987 ZQVUGTNCXDEQJP-OWCLAAJJSA-N 361.526 3.953 0 1 FHAF CCCCOc1ccccc1[C@H](c1cc(C)ns1)N1CCN(C)CC1 28248935 PZEDHANKHCPZMI-HXUWFJFHSA-N 359.539 3.967 0 1 FHAF COc1ccc(CNc2cc(-c3cccc(OC)c3)nc(OC)n2)cc1 66104823 HARSJXFCKXJFOF-UHFFFAOYSA-N 351.406 3.782 0 1 FHAF O=C(NCc1ccccc1)c1cccc(-n2sc3ccccc3c2=O)c1 64596815 OVZKCFIPHFFYBJ-UHFFFAOYSA-N 360.438 3.982 0 1 FHAF CC(=O)N(CC1CC1)c1cccc(-n2cnc3c(Cl)nc(C)nc32)c1 73198721 KVWUQSMCINAIHP-UHFFFAOYSA-N 355.829 3.540 0 1 FHAF COc1ccc([C@](C)(O)c2nc(N3CC=CCC3)nc3ccccc23)cc1 1911578668 YKTVNRAKFRCZBC-QFIPXVFZSA-N 361.445 3.661 0 1 FHAF CC(=O)OCC1=CCC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 14614080 MQSBUCVBSSNACN-JJXUHFIVSA-N 350.462 3.987 0 1 FHAF biogenic COc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(C(C)C)nn12 71335426 KWDQBWJHNXTHPY-UHFFFAOYSA-N 374.444 3.738 0 1 FHAF COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2O 85840205 WLRZIPVGEMNPES-UUIWEUTOSA-N 374.477 3.864 0 1 FHAF in-man O=c1c(-c2ccco2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12 84669173 SAOPWECJKRPNMG-UHFFFAOYSA-N 362.776 3.947 0 1 FHAF O=C(Cc1ccccc1F)NC(=O)NC1c2ccccc2-c2ccccc21 653782550 CPOZNIVLHDTLFL-UHFFFAOYSA-N 360.388 3.964 0 1 FHAF Fc1cccc2c(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)n[nH]c12 587176001 DXPKMNPIFNGAFB-UHFFFAOYSA-N 356.670 3.708 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)O2 587401126 SOHINIBKNRNFAU-YHQOMNDMSA-N 372.465 3.558 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Cl)cn2)N1 587705121 LSUUFHUBVJLFGF-VXJOIVPMSA-N 370.653 3.829 0 1 FHAF CN1[C@H]2CC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336200 JMSQRVYZFKBNJZ-TWOQFEAHSA-N 367.420 3.886 0 1 FHAF CCOc1ccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)cc1 587654995 RGZPOBQMYAYHNJ-UHFFFAOYSA-N 359.838 3.694 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1ccc(F)cc1)O2 587386014 WSDMLXXPJAPXQW-SFHVURJKSA-N 351.381 3.823 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]2[C@@H]5C[C@H]41 587602259 HGCIWKZDORRHBM-BRDWWONESA-N 372.420 3.870 0 1 FHAF COc1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587001850 HSMRKCDRFOABRZ-UHFFFAOYSA-N 371.238 3.926 0 1 FHAF O=C(O)CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350110 HGWYCWLLISDFEI-PZJWPPBQSA-N 370.376 3.904 0 1 FHAF CN(C)S(=O)(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587088318 XATVIONRCWNRQU-UHFFFAOYSA-N 374.853 3.615 0 1 FHAF COc1cc(OC)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc2c1 587109291 LETYSJHJVGLAKW-UHFFFAOYSA-N 366.295 3.964 0 1 FHAF Cc1nccn1CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577407 NHYTXKSZTIREHF-WIYYLYMNSA-N 364.401 3.708 0 1 FHAF CCCn1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587758729 XXWRZGSGUFALNB-MGPLVRAMSA-N 352.251 3.818 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(O)ccc2N)N1 587747261 KZILOSPNAUSYCJ-XLFHBGCDSA-N 365.246 3.674 0 1 FHAF Cc1cc2c(cc1O)[C@@]1(C[C@H](C(C)C)c3ccccc31)N[C@H](C(=O)O)C2 963492382 QKMKGEHTWIDRGW-WVBUVRCRSA-N 351.446 3.686 0 1 FHAF Cc1sc2c(c1C)CCN[C@@]21[C@@H]2C[C@@H]3[C@@H]1N(C(=O)OC(C)(C)C)C[C@@H]3C2 963018500 GHEFRCNGLVXGCW-GUJDEDESSA-N 374.550 3.981 0 1 FHAF C[C@]1([C@H]2CCOC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962961549 VJDPRNNHUWQLHA-WMLDXEAASA-N 355.400 3.609 0 1 FHAF COc1ccc(OC)c(NC(=O)C[C@@]2(C)NCCc3ccc(F)c(C)c32)c1 962091426 KRIWQIFGFIHHQJ-OAQYLSRUSA-N 372.440 3.541 0 1 FHAF CN1CCc2c(Br)cccc2[C@@H]1c1cnnn1-c1ccccc1 963289643 PTQRVZHDNDUHJI-GOSISDBHSA-N 369.266 3.607 0 1 FHAF Cc1cnc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cn1 962961600 VPHBZHKNHJEICV-QGZVFWFLSA-N 363.383 3.545 0 1 FHAF O=C(NCCc1nc(-c2cccc(F)c2)cs1)N1CCCC(F)(F)C1 1772605733 YYKZQMSVVUSDGA-UHFFFAOYSA-N 369.412 3.932 0 1 FHAF N[C@H]1Cc2c(ccc3cc(C(=O)O)ccc23)O[C@@H]1c1cc(F)c(F)cc1F 1772641275 KJKNMZOEJYGGEN-PKOBYXMFSA-N 373.330 3.959 0 1 FHAF C[C@@H]1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1 14970895 ROYXMGVXIACORO-CYBMUJFWSA-N 353.857 3.590 0 1 FHAF CC[C@H](C)[C@H]1COCCS(=O)(=O)N1Cc1ccc(Cl)cc1Cl 15935007 OPDYODLOHHWQEN-XHDPSFHLSA-N 366.310 3.570 0 3 FHAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2ccccc2Cl)nn1 203462418 SAPJXWYVKOZOPI-UHFFFAOYSA-N 370.840 3.748 0 3 FHAF CCCN(C/C=C/c1ccc(O)c(OC)c1)[C@@H]1CCc2[nH]c(=N)sc2C1 1857621311 KMNNNCPLXWQXDG-MBVDDHJVSA-N 373.522 3.553 0 1 FHAF COc1cccc([C@@]2(CCN(C)C)Cc3cc(C)c(C)cc3C(=O)O2)c1 53229376 RYBZXBLSRSGKOS-JOCHJYFZSA-N 353.462 3.872 0 1 FHAF CC/N=c1\c(NC(=O)COc2ccc(Cl)cc2)c(O)oc2ccccc12 102912837 FWDNBJXMNRPZDM-FXBPSFAMSA-N 372.808 3.730 0 1 FHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(C2CCCC2)C(=O)C1 59285515 YFTGSJQGXYVXNE-UHFFFAOYSA-N 374.790 3.586 0 1 FHAF C[C@H]1CN(CCC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 101365314 BMHKIIFIIFIGDE-XKDCRVNJSA-N 370.537 3.755 0 1 FHAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1cccc(C(F)(F)F)c1 2356300294 HWKAXYWOANYZSR-WWGRRREGSA-N 355.404 3.947 0 1 FHAF CCCOc1cccn2c(N(C=O)Cc3ccc(OC)cc3)c(CC)nc12 61898048 OAZDDETWQDCSJW-UHFFFAOYSA-N 367.449 3.857 0 3 FHAF O=C1CS[C@H](c2cccc(C(F)(F)F)c2)N1CCc1ccccn1 28819474 HWOBPIKCLUVNFH-MRXNPFEDSA-N 352.381 3.917 0 1 FHAF Brc1ccc2ccn(CCN3CCCN(C4CC4)CC3)c2c1 22939955 XSAWIIRPHYTAEE-UHFFFAOYSA-N 362.315 3.574 0 1 FHAF COC(=O)c1cc2ccc(OCCn3ccc4ccccc43)cc2oc1=O 27086974 MPXSONGTLVYBHQ-UHFFFAOYSA-N 363.369 3.613 0 1 FHAF COc1ccc2[nH]c(C)c(C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1 28384968 SETPSFUXEQTQGD-UHFFFAOYSA-N 355.390 3.742 0 1 FHAF CCN(CC)CCNC(=O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@H]21 27999204 PBKDIZDDELFTGW-PBHICJAKSA-N 350.890 3.830 0 1 FHAF COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1[C@H]2C)OCO4 14765585 LPKAAKHLNGEZJC-FKIZINRSSA-N 353.418 3.649 0 1 FHAF biogenic CCN1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72102459 QCIGKPBSWYHWEW-SFHVURJKSA-N 364.415 3.659 0 1 FHAF OCc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 140220911 JLHUGFLKEQRIRJ-UHFFFAOYSA-N 368.440 3.788 0 1 FHAF CCCc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 95565582 SXFFBUXFJKZBEN-UHFFFAOYSA-N 372.778 3.559 0 1 FHAF C[C@@H]1Oc2ccc(Br)cc2C=C1/C=C1\SC(=O)N(C)C1=O 95596650 LWLWXUOANPLPNI-AXSHELLZSA-N 366.236 3.823 0 1 FHAF O=C1[C@H]2[C@@H]3[C@@H]4[C@H](OCc5ccccc5)[C@@H]5[C@@H]3[C@@H](OCc3ccccc3)[C@@H]2[C@@H]5[C@@H]14 254156499 QFZSTWQCQZIKSY-DRBLSEHESA-N 372.464 3.724 0 1 FHAF CC(C)(C)[C@@H](CO)NCC(=O)N1CCc2ccccc2[C@H]1C1CCCCC1 473089097 KKKCKZUPMNIXIF-IFMALSPDSA-N 372.553 3.689 0 1 FHAF CCN(CC)CCCn1cc(CNc2ccnc3cc(Cl)ccc23)nn1 473085541 XQWUWJRNBMOROZ-UHFFFAOYSA-N 372.904 3.824 0 1 FHAF Cc1onc(-c2nc3nccc(N)c3[nH]2)c1COc1ccccc1Cl 587063154 FVXBVHQRPUVOPX-UHFFFAOYSA-N 355.785 3.736 0 1 FHAF Cc1ccc([C@@]2(CN)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587579454 NOJOIRJEODFITN-SIKLNZKXSA-N 361.397 3.516 0 1 FHAF OCc1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914596 XMUMPGRRFJLABK-UHFFFAOYSA-N 360.369 3.824 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1O)[C@@H](C2)C3=O 587417514 LJGAJRLBCIEGBY-SJCJKPOMSA-N 361.191 3.652 0 1 FHAF Cc1nn(C)c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756470 LMDBPMWAWCUNHA-HUTHGQBESA-N 366.278 3.736 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccnc2Cl)N1 587701274 ATYYRNKTKYXYLL-KRTXAFLBSA-N 356.626 3.655 0 1 FHAF COc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1C 587234794 WKHXNVGZVLIOAX-UHFFFAOYSA-N 373.453 3.743 0 1 FHAF CCOC(=O)CNc1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 587227440 MUWKLKLSKXNTCI-UHFFFAOYSA-N 365.220 3.907 0 1 FHAF COCc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587852107 DDBLKFDCGHXWPA-RMLUDKJBSA-N 371.275 3.815 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(C)nc4[nH]3)c2)c1 587235600 OVCLPTZZTLJIGV-UHFFFAOYSA-N 356.429 3.884 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(C=O)cc1OC)CC2=O 587475607 BDOAXRVRZBUPBB-FQEVSTJZSA-N 370.401 3.881 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)cc1N)O2 587377942 QNPJFOKCKKVGJJ-QGZVFWFLSA-N 361.239 3.803 0 1 FHAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(=N)[nH]cc2[nH]1 587035086 NUIIRWUTQZAKGK-GFCCVEGCSA-N 365.462 3.856 0 1 FHAF C[C@@H]1CC2(C[C@@H](C)N1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345642 JDZLVOUVOGMJMC-VPZZIHKRSA-N 355.409 3.789 0 1 FHAF Fc1cc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2cc1-n1cccn1 587017399 WBSSZPVKWNRHKL-OAHLLOKOSA-N 355.398 3.863 0 1 FHAF Cc1cc2c(cn1)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588693 UNMBVGXDFIGKAU-UGKGYDQZSA-N 359.381 3.899 0 1 FHAF COc1ccc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)nc1OC 963101357 AQUKOMNXDDVVGR-QGZVFWFLSA-N 353.249 3.815 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1coc3ccccc3c1=O)N(C)[C@@H](C)C2 962645551 ZXUAOPZDMFPVKO-YEJXKQKISA-N 365.429 3.776 0 1 FHAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2C2(CC(F)(F)C2)N1 963183564 JNIVSADXLYIVHT-JTQLQIEISA-N 355.690 3.582 0 1 FHAF CCNC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1 1772622865 DORHZSVKWVOPAY-UHFFFAOYSA-N 359.480 3.772 0 1 FHAF CC(C)C[C@@H]1CCCN1c1ccc(F)c(-n2c(O)nc3ncccc32)n1 1772596723 IOMOSDNYRIUCCZ-ZDUSSCGKSA-N 355.417 3.675 0 1 FHAF COCCn1cc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C2 13672622 YSZGTYAHCXJWGC-JBPLPALLSA-N 352.478 3.805 0 1 FHAF CN(C)CCCN1C(=O)[C@@H](Cc2ccccc2)Oc2ccc(Cl)cc21 169324435 CWKGXIZIUUXGHH-LJQANCHMSA-N 358.869 3.628 0 1 FHAF NC(=S)n1nc(Nc2nc(-c3ccccc3)c[nH]2)cc1-c1ccccc1 169350085 PWUPWFHZANOSMZ-UHFFFAOYSA-N 360.446 3.776 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc(F)c1F 169723602 IOZRAQBOYNWLEQ-ZBFHGGJFSA-N 365.376 3.539 0 1 FHAF C[C@@H](Cn1c(O)cc(=O)n([C@H]2C[C@@H]3CC[C@@H]2C3)c1=O)c1cccc(Cl)c1 169729786 LDOWZFMZLDFQIR-SHFYGJNESA-N 374.868 3.534 0 1 FHAF CC(C)[C@H](CO)NCc1nc(-c2cccc(OC(F)(F)F)c2)ccc1F 204410929 BSOXCJBLIWFTPC-KRWDZBQOSA-N 372.362 3.893 0 1 FHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cnc(OC)cc21 1857619709 XPCYVQGNMCXEHG-UHFFFAOYSA-N 359.429 3.744 0 1 FHAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@@H](C)c1ccc(F)cc1 770858 LFLSQCLMJFJSLS-LHSJRXKWSA-N 370.424 3.842 0 1 FHAF Cc1ccc(C(=O)Nc2cccc(NC(=O)CN3CCCCC3)c2)cc1 4231773 QYXVDSPFDUFEOL-UHFFFAOYSA-N 351.450 3.672 0 3 FHAF C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cc5ccccc5[nH]4)cc3n21 117690561 SQURCMDQNPTKFN-LBPRGKRZSA-N 358.401 3.679 0 1 FHAF CCCn1cc(-c2ccccc2)nc1CCc1nc2nc(C)cc(C)n2n1 113420445 PRMASZAWERZHDU-UHFFFAOYSA-N 360.465 3.800 0 1 FHAF O=C(Nc1cccc2ccccc12)N1Cc2ccccc2-n2nncc2C1 61924090 OHTOWCXHGSDSTO-UHFFFAOYSA-N 355.401 3.968 0 3 FHAF CCN(CC)C(=O)c1cccc(-c2csc([C@H](O)c3ccco3)n2)c1 61928738 YVJMFYDEXFHXBF-QGZVFWFLSA-N 356.447 3.967 0 3 FHAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC[C@@H](O)CO)C(C)(C)CCC1 34097831 FXQZICWUGFILLR-DFXXPPHMSA-N 373.537 3.987 0 1 FHAF CCc1c(NC(=O)Nc2ccc(C)c(F)c2)c(=O)n(-c2ccccc2)n1C 38157797 CMJJSFWJYMUEIL-UHFFFAOYSA-N 368.412 3.830 0 1 FHAF CC(C)[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)OCc1ccccc1 71334399 KAGCLHIHNQBTPW-FQEVSTJZSA-N 362.429 3.733 0 1 FHAF Cc1ccc(C(=O)N2CCO[C@]3(C2)CC(C)(C)Oc2ccccc23)cc1 45288346 NUVXTSXVRNCLOG-QFIPXVFZSA-N 351.446 3.924 0 1 FHAF CCCCCC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)CCCCC)C[C@H]1N2C 40547989 AZSYRDPIBWFYBO-MLHJIOFPSA-N 353.503 3.837 0 1 FHAF CCN(C)c1ncc(C(=O)NCc2ccccc2)c(-c2cccc(C)c2)n1 82216804 KFHMKJNHXVXVOO-UHFFFAOYSA-N 360.461 3.838 0 1 FHAF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H](O)[C@H]4O 84672230 WXHSSZULLSQTNE-JZEQDFDBSA-N 364.526 3.684 0 1 FHAF CN1CCN(c2ccc(-c3cnc4c(-c5ccccc5)cnn4c3)cc2)CC1 96927003 CRGMZDXJWHXPDI-UHFFFAOYSA-N 369.472 3.815 0 1 FHAF O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@H]2CNCCO2)cc1Cl 149894779 NZIHRHXPOSUOMI-CQSZACIVSA-N 367.236 3.693 0 1 FHAF CCN(CC)C(=O)Cc1c(-c2ccc(C)cc2)nc2c(C)cc(C)nn12 96168023 CUGGTIFWWSZRMG-UHFFFAOYSA-N 350.466 3.732 0 1 FHAF Cc1onc(-c2cccc(F)c2)c1CNc1ccc(C(=O)NC(C)C)cn1 142330191 IXMRVHDVAYSNHI-UHFFFAOYSA-N 368.412 3.934 0 1 FHAF Cc1cccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 96907196 PTWBHYWMLDSMLN-UHFFFAOYSA-N 365.307 3.502 0 1 FHAF CCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)Cc1ccccc1-3 299829770 MIPWRXSZLNVAKQ-UHFFFAOYSA-N 363.461 3.536 0 1 FHAF Cc1[nH]nc2c1[C@H](c1ccc(F)cc1)c1c(nc3c(c1N)CCCC3)O2 299829532 VSGLZYUVIZEGKJ-INIZCTEOSA-N 350.397 3.999 0 1 FHAF CCN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 299869961 FINYZPNAEUFDRR-CZKWCHMESA-N 369.505 3.912 0 1 FHAF in-vivo O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn2ccccc2n1 587585129 BHALPYBXIQSEJD-WIYYLYMNSA-N 358.353 3.743 0 1 FHAF CCCc1nc(-c2nc3cc4[nH]ncc4cc3[nH]2)nn1-c1ccccc1F 587156687 XWJUSPOGYIBDCW-UHFFFAOYSA-N 361.384 3.779 0 1 FHAF COc1ccc(OC)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1OC 587926078 KVKCMEWKNPAAPG-UHFFFAOYSA-N 368.368 3.581 0 1 FHAF COC(=O)C1=C[C@]2(CCC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587811795 XGCDCBBQXJPMQF-BTDLBPIBSA-N 368.246 3.601 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(OC)nn1 587865545 AYCXWKGKPSGFKJ-UHFFFAOYSA-N 364.327 3.755 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1cccn1 587862589 DKTKHZNFANXHFI-LLVKDONJSA-N 364.327 3.675 0 1 FHAF C[C@@]1(CC(=O)Nc2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514897 XLPIPGUGDMCRDV-NRFANRHFSA-N 350.418 3.713 0 1 FHAF CCOC(=O)[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@@H]1C)-c1ccccc1C4=O 586989612 MGOQHOIYIMKEMZ-GTNSWQLSSA-N 373.408 3.991 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433957 YCUNWICYVJCWCF-XLDJFRKUSA-N 373.449 3.506 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2N)N1 587728929 UIJRHKCKTWGYPJ-PWJLMRLQSA-N 353.210 3.933 0 1 FHAF N[C@@]1(c2nc3cc(Br)cc(F)c3[nH]2)C[C@@H]1c1ccccc1F 587155055 HOZOCRWSYZHFJZ-HWPZZCPQSA-N 364.193 3.945 0 1 FHAF Cc1nc(O)c(C(=O)O)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587519185 WLLCPBYJUORHEM-OAQYLSRUSA-N 367.401 3.553 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn3ccccc23)N1 587791760 GLPYHDMCIHHODQ-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF O=C1CCC(c2ccccc2)(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CC1 587970557 KIUOUSYRXCCKCC-UHFFFAOYSA-N 352.365 3.829 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2c1 587938589 XTLYLNHFYGYICV-RNODOKPDSA-N 368.433 3.514 0 1 FHAF COC(=O)C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352607 PJQJCQXMVVRMIO-FPOVZHCZSA-N 372.392 3.848 0 1 FHAF Cc1ccc([C@]2(c3ccco3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1C 962901916 STUJJCZWUMSWBR-UGKGYDQZSA-N 365.404 3.926 0 1 FHAF CS(=O)(=O)[C@H]1CCCC[C@@]12c1ccsc1CCN2Cc1ccco1 962702519 AMWOBQLMNASCTQ-ZWKOTPCHSA-N 365.520 3.582 0 1 FHAF O=C(C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1)c1ccccc1 13475360 VXFYDWSHWCLBBZ-FQEVSTJZSA-N 363.457 3.842 0 1 FHAF Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1 13672079 WITWYNVZVUALQW-UHFFFAOYSA-N 359.433 3.696 0 1 FHAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)on1 169350116 UQOSGSJMJKLETB-UHFFFAOYSA-N 354.337 3.910 0 1 FHAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(C(F)(F)F)cc1 169364342 DDASMJFFKOSRQN-JYHQJDCPSA-N 351.368 3.745 0 1 FHAF FC(F)(c1ccc2ncccc2c1)c1nnc2ncc(-c3ccccc3)nn12 200637001 QGSKEQKZHYYCMA-UHFFFAOYSA-N 374.354 3.875 0 1 FHAF COc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc(OC)c(O)cc2CCN1C3 209314235 LFRZAOTWPUWCRG-IBGZPJMESA-N 350.418 3.546 0 1 FHAF CCCN=c1nc(O)c(C)c([C@H](OC)c2c(Cl)cccc2Cl)[nH]1 1857563083 ARPDJDLNDDSNOL-CQSZACIVSA-N 356.253 3.777 0 1 FHAF CSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)[C@H]1C(=O)CC(C)(C)CC1=N2 2458095 LKJTYRKPZBRMJH-HUUCEWRRSA-N 367.474 3.715 0 1 FHAF CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@@H](C(N)=O)[C@H]2c1ccc(Cl)cc1 3894419 MPGYYTRANFDYAU-QQDQCYIDSA-N 360.885 3.611 0 1 FHAF C[C@@H]1CCCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)C1 3895559 DATXYHWLIOTALJ-MDASCCDHSA-N 368.502 3.917 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@H]1C[C@H]2C[C@@H]1c1ccccc12 58682988 CCNUQTMMRGAWTF-ZESCBINXSA-N 364.445 3.814 0 1 FHAF COC(=O)CCC(=O)Nc1cccc(OCc2cccc3cccnc23)c1 29220053 BELXDWIRQHJYFW-UHFFFAOYSA-N 364.401 3.706 0 1 FHAF COC(=O)C1=CC[C@@]2(C[C@@H]1O)[C@H]([C@H](C)CCC(=O)C(C)C)CC[C@H]2C 2356395877 WLOJMVRFMHXVIR-QDOULVBYSA-N 350.499 3.914 0 1 FHAF CC1=CCCC(C(=O)O)=CCc2cc(O)ccc2OC(C)(C)[C@H](O)CC1 2356479992 LIVMTRFKKMBYGG-LJQANCHMSA-N 360.450 3.984 0 1 FHAF COc1ccc(C([O])=C2c3cc(OC)c(OC)cc3C=CN2C)cc1OC 2356671242 ROZULMWKEPAYMC-UHFFFAOYSA-N 368.409 3.893 0 1 FHAF CC1=C[C@H](OC(=O)c2ccccc2)[C@H]2[C@@](O)(C(C)C)CC[C@]2(C)C[C@H]1O 2356706218 XUBRQXOGVTUWAS-NJKFVAIMSA-N 358.478 3.726 0 1 FHAF CN(C)CCCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 28902710 IQHJJVHUYGOXCV-UHFFFAOYSA-N 359.429 3.727 0 1 FHAF COc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)OC3)cc1OC 45371984 LXMGUUNAZRQVDB-UHFFFAOYSA-N 364.353 3.923 0 1 FHAF CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12CCOc1ccccc12 43204884 SIFDIWHUFOMQGF-GOSISDBHSA-N 360.385 3.857 0 1 FHAF Cc1ccc(-c2nc3c(NCC(C)C)ncnc3n2C[C@H]2CCCO2)o1 82178020 RSFSZBMLMKVZJQ-CQSZACIVSA-N 355.442 3.642 0 1 FHAF Brc1cncc(COCC2(c3ccccc3)CCNCC2)c1 95591728 VVOGLOJOGOEZPO-UHFFFAOYSA-N 361.283 3.682 0 1 FHAF O=C(CCCCN1CC2(COC2)C1)Nc1ccc(-c2ccccc2)cc1 299856202 CISCGIHKGUZFJJ-UHFFFAOYSA-N 350.462 3.795 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1cc3c(ccn3C)cc1[C@H](O)CC2 653711445 LKIRCUWACOJDGV-QGZVFWFLSA-N 353.418 3.851 0 1 FHAF O=C(O)CCc1nnc(C(=O)Nc2cccc(-c3ccc(F)cc3)c2)s1 653861145 LBXXTDSJYRFPFG-UHFFFAOYSA-N 371.393 3.614 0 1 FHAF Nc1nc(N2CCC(Cc3ccccc3)CC2)c2c(n1)[nH]c1ccc(O)cc12 653624600 YZQKMXLWGGJREC-UHFFFAOYSA-N 373.460 3.858 0 1 FHAF COc1cc2c3c(c1)OC1(CCN([C@@H]4CCC[C@H](C)C4)CC1)[C@@H](C2)C3=O 587434614 BRNRDIFBWBXIPB-LESCRADOSA-N 355.478 3.856 0 1 FHAF Cc1nccc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 587000124 GBDBTKJFEMKOMF-NSCUHMNNSA-N 372.222 3.970 0 1 FHAF OC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCOCC1 586913519 MJQMFULZWOPVQW-UHFFFAOYSA-N 351.431 3.838 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1COc2ccccc2O1 587871484 IRGCHPLWGWUXEG-GOSISDBHSA-N 368.364 3.568 0 1 FHAF CC(C)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582648 MFHBLCFCFDIBQR-GOSISDBHSA-N 353.418 3.597 0 1 FHAF NS(=O)(=O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587056203 ZVCHIFAHUPETDK-QPJJXVBHSA-N 368.245 3.688 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C=O)c(O)c(C)c1O)CC2=O 587490361 RNXYETCNPZOBHV-QGZVFWFLSA-N 356.374 3.583 0 1 FHAF COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2c(C(=O)O)cccc12 587638050 SYXVHIMMVOZDGA-UHFFFAOYSA-N 363.291 3.661 0 1 FHAF Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587774032 LAZRUQGQAKVUQU-BCTVWOGZSA-N 350.235 3.619 0 1 FHAF CSc1ccc(-c2csc(-c3cccc(S(N)(=O)=O)c3)n2)cc1 587925854 VEAORBHXKBYJIE-UHFFFAOYSA-N 362.501 3.846 0 1 FHAF N[C@@]1(c2nc3ccc(Br)c(O)c3[nH]2)C[C@H]1c1ccccc1F 587158799 XSWKBNJRABAXSS-FVMDXXJSSA-N 362.202 3.512 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1ccc(Cl)cc1 587655204 WBANDDBDHNATSQ-UHFFFAOYSA-N 350.230 3.948 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4ccccc4F)c1)[C@@H](C2)C3=O 587427824 WAGUZUXUFMVBMK-YCRPNKLZSA-N 364.376 3.683 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(O)ccc2N)N1 587747260 KZILOSPNAUSYCJ-VVVCHXIZSA-N 365.246 3.674 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(N)c1)[C@@H](C2)C3=O 587411153 BXVVKSZXNIRFFV-APPDUMDISA-N 360.207 3.529 0 1 FHAF COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587590098 XRMPCGGFZZLYIA-NQIIRXRSSA-N 363.369 3.673 0 1 FHAF COc1cnccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587774045 LCRUYMBUKATYJF-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF C[C@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)N(C)C 587192717 ZXJFIUDYUINESX-SSDOTTSWSA-N 361.081 3.581 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(Br)c1O)[C@@H](C2)C3=O 587412096 HGRMUOQZCSILSM-GTNSWQLSSA-N 361.191 3.652 0 1 FHAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cnc(Cl)[nH]c-2n1 587164068 VWTUZDQHUVNZJW-UHFFFAOYSA-N 352.756 3.995 0 1 FHAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cncnc4[nH]3)c(F)c2)c1 587138389 GYIJOYCDEAXIFF-UHFFFAOYSA-N 352.300 3.663 0 1 FHAF Cc1ccc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(-c2cnn(C)c2)c1 963024368 MZITVOUTUABHPT-NPMXOYFQSA-N 372.472 3.538 0 1 FHAF COC[C@H](C)[C@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955522 LCPPRSSYVBDSHL-GUYCJALGSA-N 357.416 3.855 0 1 FHAF COC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2N(C)C1 169312741 ISVOYYWZUYYPHT-ZTNFWEORSA-N 352.478 3.889 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1ccc(F)cc1F 169723608 ANVDFHUXDDOQOT-NVXWUHKLSA-N 365.376 3.539 0 1 FHAF C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 207537969 NRXYKCLIMLPUIO-KWXDATOUSA-N 374.518 3.624 0 1 FHAF in-vitro O=c1cc(OC[C@H]2CCc3ccccc3O2)ccn1-c1ccc(F)cc1 1857546400 AMESUOZRLCTHSV-LJQANCHMSA-N 351.377 3.749 0 1 FHAF COc1cc(OC)cc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)c1 1857591538 XQNZICBVCZNLBW-UHFFFAOYSA-N 361.401 3.573 0 1 FHAF CCN1CCC[C@H]1CNC(=O)c1cc2cc3cc(OC)ccc3nc2s1 4900576 UKMFFHUJYSXWQB-HNNXBMFYSA-N 369.490 3.672 0 1 FHAF COc1cc(/C=C/C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc(OC)c1OC 100523487 MMMFYPLHQSTVKB-XPKFMTTLSA-N 359.466 3.667 0 1 FHAF Cc1ccccc1-c1cc2nc(OC[C@@H]3CCCO3)n(C)c(=O)c2s1 61907995 RQFRHVFZWKXACW-ZDUSSCGKSA-N 356.447 3.528 0 3 FHAF COc1cccc([C@@H](O)c2nc(-c3cccc(NC(C)=O)c3)cs2)c1 61905338 PFYOLHDBVJZALA-GOSISDBHSA-N 354.431 3.859 0 3 FHAF COc1ccc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Cl)cc3)c2c1 60156804 BHDFWIHNHCVURQ-UHFFFAOYSA-N 357.793 3.927 0 1 FHAF COc1cc(OC)c(OC)c(O)c1CC[C@@H](OC(C)=O)c1ccccc1 2356691217 AZPRWDLAWWUGLG-MRXNPFEDSA-N 360.406 3.655 0 1 FHAF COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4cc(C)[nH]c4c32)ccc1F 71316634 VZKIXXIVOJNOIS-KRWDZBQOSA-N 364.376 3.992 0 1 FHAF CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccccc4)nc23)cc1 84729223 XLCDCOGTVWLGOJ-UHFFFAOYSA-N 364.430 3.543 0 1 FHAF Cc1nc2c(OCCF)cccc2n1-c1ccc(C(=O)NC2CC2)s1 84602899 HABVHAUNFMHRJP-UHFFFAOYSA-N 359.426 3.636 0 1 FHAF COCCn1c(C(C)C)nc2c(NCCCc3ccccc3)ncnc21 82180029 VADZYRODMHNMDD-UHFFFAOYSA-N 353.470 3.641 0 1 FHAF Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 221705838 PMCOJTKFFKBTBC-GOSISDBHSA-N 373.460 3.943 0 1 FHAF N#C[C@H](c1ccnc(OCc2ccccn2)n1)c1nc2ccccc2s1 142235219 JGHBCDVGNOLSCY-CQSZACIVSA-N 359.414 3.716 0 1 FHAF CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(N)=O 299819942 CFSIKHDUZWFTKM-UHFFFAOYSA-N 367.434 3.868 0 1 FHAF O=C(O)c1cc(Br)cc2nc(CCc3ccccc3F)[nH]c12 587151509 ZPZKBMWRMHKYTF-UHFFFAOYSA-N 363.186 3.948 0 1 FHAF Cc1ccc(-c2nc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)cs2)o1 587016103 GJGULDWCZAKUTB-UHFFFAOYSA-N 352.419 3.957 0 1 FHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cncc(Br)c2[nH]1 586881806 INNOWQUMEFHGHW-UHFFFAOYSA-N 372.222 3.649 0 1 FHAF Cc1nn(C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552196 OHRXIKGYFZDNAE-YJBOKZPZSA-N 370.792 3.790 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(N)ccc21 587389028 HVHHJDSSNVTRJI-QHCPKHFHSA-N 370.408 3.613 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2OCO3)N1 587834281 KPRBNYQVAJEJAA-ABKXIKBNSA-N 364.214 3.941 0 1 FHAF COc1cc(-c2nc3ccc(Br)nc3[nH]2)cc(Cl)c1O 587046608 XZPGMQAYZIHRAK-UHFFFAOYSA-N 354.591 3.755 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cccc(Br)n1)[C@@H](C2)C3=O 587417015 IFZHGQJBETYHBQ-GTNSWQLSSA-N 360.207 3.516 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(C(C)(C)C)no2)N1 587792580 JBEPJGJRHHNUBB-OQPBUACISA-N 368.250 3.892 0 1 FHAF CCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3OC)[nH]c2c1 587066599 OEFDZGNQAZWIRK-UHFFFAOYSA-N 350.827 3.686 0 1 FHAF COc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 587030090 XCPCGKWRUOAEFE-UHFFFAOYSA-N 352.419 3.721 0 1 FHAF O=C(Cc1nc2cc(F)cc(Br)c2[nH]1)OCc1ccccc1 587782134 QCVQYKFGDRZANL-UHFFFAOYSA-N 363.186 3.750 0 1 FHAF Cc1ccc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587771548 MGSQUOZGSSMOQO-FVMDXXJSSA-N 351.219 3.621 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C)nc3[nH]2)cc1 587040130 KLWGDYJDCRGHJO-INIZCTEOSA-N 368.462 3.553 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1cccc(OC)c1 587870984 WKXKKARWWFJGSE-UHFFFAOYSA-N 369.396 3.849 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccn(CC2CC2)n1 587580773 JFYQOVSFLQWHOZ-RXVVDRJESA-N 362.385 3.702 0 1 FHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NC1CCCC1 587661744 SWCGXWXDYBELHU-UHFFFAOYSA-N 367.449 3.868 0 1 FHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(C(=O)OC)c(OC)cc3[nH]2)n1 587079277 IGXBNRNZAHKCQA-SECBINFHSA-N 362.817 3.846 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](COCc1ccc(OC)cc1)CC2=O 587479152 KNDHYAFYTGAEAE-INIZCTEOSA-N 356.418 3.904 0 1 FHAF CN1CCN(c2ccc3nc([C@H]4SCCc5sccc54)[nH]c3c2)CC1 587036566 GFZLNBIFRMUORX-SFHVURJKSA-N 370.547 3.755 0 1 FHAF Cc1ccccc1C[C@@]1(CO)CCCN(Cc2c(C)nn(C)c2Cl)C1 12025437 CKOUMKRTYNLNGI-FQEVSTJZSA-N 361.917 3.508 0 3 FHAF CCOc1ccccc1-c1nnc2n1N=C(c1ccccc1OC)CS2 13828728 XWQTYCMATKHSSB-UHFFFAOYSA-N 366.446 3.711 0 1 FHAF CC[C@@H](C)[C@H]1COCCS(=O)(=O)N1Cc1ccc(Cl)cc1Cl 15935006 OPDYODLOHHWQEN-IAQYHMDHSA-N 366.310 3.570 0 3 FHAF C[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N(C)C1CCCCC1 15935964 IWBUFPVXWLKKBB-GFCCVEGCSA-N 369.494 3.778 0 3 FHAF O=C(c1cc(F)cc(Cl)c1)N1CCn2nc(-c3ccc(F)cn3)cc2C1 1857628767 PAVOURBCAONWKJ-UHFFFAOYSA-N 374.778 3.533 0 1 FHAF CC(C)NC(=O)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 866021 ORGDZNBZPDGUAN-KGLIPLIRSA-N 370.350 3.821 0 1 FHAF CC=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C(=O)CC 2356327584 DNIXQXLXMAQDFP-YDUFOUJDSA-N 366.542 3.815 0 1 FHAF COc1ccc(OC)c(CNC(=N)c2ccc(OC(F)(F)F)cc2)c1 103259116 GVMDPJAFOKKDJJ-UHFFFAOYSA-N 354.328 3.718 0 1 FHAF COc1ccc(C(=O)[C@@H](O)C2c3ccccc3C(=O)c3ccccc32)cc1 101561217 VPIKEJSVXFDOKH-QHCPKHFHSA-N 358.393 3.615 0 1 FHAF COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 26389296 AIFCUVNKIXTICB-BESVGFILSA-N 359.510 3.709 0 1 FHAF CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3sc(S)nn23)s1 28827000 CQXNVBMFPGFTDX-UHFFFAOYSA-N 373.488 3.828 0 1 FHAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]2CC[C@H]3C[C@@]12C[C@@]3(C)O 2356554937 CIIDMMPURFCERH-AHGXHYECSA-N 364.526 3.684 0 1 FHAF COc1cc2c(cc1OCCCN1CCN(c3ccccc3)CC1)CCC2 26498801 BKGLOTITLBBYFR-UHFFFAOYSA-N 366.505 3.775 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1 40412322 ODUXBNOPUCKJQD-DOTOQJQBSA-N 358.869 3.893 0 1 FHAF CC(=O)Nc1cccc(NC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)c1 40862951 JMBSPSLQLSMHGU-QKVOYMTASA-N 350.374 3.582 0 1 FHAF C/C(=C\CSCCC(=O)O)CCn1cc(CCc2ccccc2)nn1 84724268 YFVPYEJGDZCSMZ-MHWRWJLKSA-N 359.495 3.608 0 1 FHAF CN1CCN2c3ccc(Cl)cc3C(c3ccc(Cl)cc3)=NC[C@@H]2C1 40743404 ABTZEFCQMBPXON-MRXNPFEDSA-N 360.288 3.965 0 1 FHAF CCCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 82214897 GPXRSJGUSGMUAQ-UHFFFAOYSA-N 356.445 3.803 0 1 FHAF O=C1/C(=C/c2cccc(F)c2)CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 84669444 BKHCVSDXJOWNDA-BAGUCIKASA-N 354.469 3.704 0 1 FHAF CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccncc3)N2C1=O 84763394 MCKYWXAYWISPGY-QUCCMNQESA-N 374.444 3.641 0 1 FHAF CCc1cccc(OCCSc2nc3ccccc3n2CC(=O)OC)c1 95593430 CZLZJBRCVHSVTM-UHFFFAOYSA-N 370.474 3.943 0 1 FHAF CC(=O)C[C@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 96172967 QKQLEKYLQIWRMW-AWEZNQCLSA-N 351.450 3.704 0 1 FHAF O=C(/C=C/c1cccc(F)c1)NCC12CC(CN1Cc1ccccc1)C2 2382218526 SMCRVMVRTSTSIN-MDZDMXLPSA-N 350.437 3.620 0 1 FHAF CC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@H]1c1ccccc1)[C@]32C 299813970 ZXKPEKZKEYGWNX-BQLVWXCYSA-N 360.457 3.904 0 1 FHAF COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 299819471 AIFCUVNKIXTICB-NIGNBFPUSA-N 359.510 3.709 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C)O2 587395230 MBLPBQUKMXOIQQ-RBZFPXEDSA-N 360.454 3.558 0 1 FHAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587149976 JLLGIHRXQXKLJX-CYBMUJFWSA-N 372.419 3.733 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N(C)C)n2)N1 587751942 CBEMGGKDHLERCK-QGHHPUGFSA-N 364.262 3.673 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(N(C)C)CC2)N1 587758034 WSVCHVWBXYWXST-BLQFLSLASA-N 355.295 3.822 0 1 FHAF COC(=O)C(C)(C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353125 QMANYOIVUDJGIN-UTKZUKDTSA-N 372.392 3.848 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CCN(Cc3ccccc3)CC1)O2 587395513 NLJNNBPIZGKHRG-OAQYLSRUSA-N 350.462 3.823 0 1 FHAF O=C1C[C@@](c2ccccn2)([C@H]2CCCNC2)Oc2c1ccc1c2CCCC1 587523287 HVLODCRMELMPTO-SBUREZEXSA-N 362.473 3.821 0 1 FHAF CC(=O)OC1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587814020 XNEQHKMLQONYCH-OPFFKBQKSA-N 370.262 3.823 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587042551 LVPOABOBGASIBM-SNVBAGLBSA-N 369.393 3.505 0 1 FHAF C[C@@H](Cc1ccnn1C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587759357 KJLQDKKVAMTLJI-WVQJBOLRSA-N 366.278 3.776 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)C(C)(C)C(=O)N3)O2 587399224 HGTCVGHANPVHDJ-NRFANRHFSA-N 350.418 3.688 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)ccc1-n1ccnc1)O2 587384231 BZWUUIZIHLOZBL-HXUWFJFHSA-N 351.381 3.783 0 1 FHAF Cc1cc(-c2nc3c(F)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123247 CIAQJQXKBIIOCB-UHFFFAOYSA-N 373.331 3.939 0 1 FHAF CCC[C@]1([C@H](C)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804685 DZHQPTHMJKNLTQ-WVQJBOLRSA-N 372.278 3.927 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4ccnc4)c(F)c1)[C@@H](C2)C3=O 587425608 FXODAKILWYVWOG-YCRPNKLZSA-N 364.376 3.683 0 1 FHAF CCOC(=O)[C@]1(c2cccnc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509486 SEFFRILXEQEFIW-OAQYLSRUSA-N 369.392 3.523 0 1 FHAF COC(=O)C12CC([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)(C1)C2 587808201 NPEBYTAXPIIWDW-QGKZNYPCSA-N 368.246 3.507 0 1 FHAF CCOc1ccc2nc([C@H]3c4ccsc4CCN3C(N)=O)ccc2c1 962707984 JDCKATDFCCFTOD-GOSISDBHSA-N 353.447 3.721 0 1 FHAF COc1ccccc1C[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962978529 ROMLZLCRVIZIKR-KGLIPLIRSA-N 367.779 3.510 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1cccnc1C(=O)O 962399003 PGYNQYQFVNSRDY-FQEVSTJZSA-N 367.474 3.502 0 1 FHAF CN1C(=O)CN=C(c2c(F)cccc2F)c2cc(Br)ccc21 13651910 XXPNMKPARHVBIY-UHFFFAOYSA-N 365.177 3.541 0 1 FHAF CCCCCCc1ccc(O)cc1OCCCCCC(=O)NCCO 13676048 NGIJVMLOULTUEK-UHFFFAOYSA-N 351.487 3.563 0 1 FHAF S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccncc1 13734809 GITAFWBOPFYZDK-UHFFFAOYSA-N 354.523 3.670 0 1 FHAF COc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CC3(CC3)C2)cc1F 13745532 CEWVXPZMZGBSJN-UHFFFAOYSA-N 373.449 3.967 0 1 FHAF C[C@@H]1C/C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 14685017 MAIXLHSZNVDUIV-USEMIUTHSA-N 352.814 3.928 0 1 FHAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cc3)nn21 205312803 QJSMXSGBRGRDPQ-CYBMUJFWSA-N 369.371 3.962 0 1 FHAF CC(C)c1ccc(NC[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 1857638570 ZALGMMCLYQQSMQ-HXUWFJFHSA-N 372.419 3.680 0 1 FHAF NCc1cccc(C2CCN(C(=O)c3c[nH]c4c(F)cccc34)CC2)c1 28472015 QIRQWPIUYBAQPU-UHFFFAOYSA-N 351.425 3.786 0 1 FHAF CN(C)c1cccc(NC(=O)[C@@]2(C)Cc3c(-c4cccnc4)ccnc3O2)c1 61907466 GGDAHOWDADLEKS-JOCHJYFZSA-N 374.444 3.542 0 3 FHAF COc1cc(Br)c2c(c1)NC(=O)[C@](C)(c1ccccc1)C2=O 28978293 PMNPFAQQRRXRTF-QGZVFWFLSA-N 360.207 3.550 0 1 FHAF C[C@@H](C(=O)OCCCCO[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1 38192548 DRBPAHMAGAOWNB-OAHLLOKOSA-N 371.389 3.553 0 1 FHAF O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(O)cc2)CC1 1911578293 LZOWBQOVYFAUFS-UHFFFAOYSA-N 358.825 3.537 0 1 FHAF COc1c(Cl)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@@H]1C=CO[C@@H]1O4 13374533 RNQJRTAELVXSOU-ULCDLSAGSA-N 358.733 3.660 0 1 FHAF biogenic CCCCc1oc(CCc2ccc(O)c(OCCCCO)c2)cc1CO 85624475 QNKSCTXIXDZVCG-UHFFFAOYSA-N 362.466 3.757 0 1 FHAF biogenic,in-vitro O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cc(O)cc1Cl 96928682 YINNTXCHGCQOSC-UHFFFAOYSA-N 366.204 3.695 0 1 FHAF N=c1[nH]c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)nc-2c(Cl)[nH]1 587084063 UJDHKZVBCCHJCV-UHFFFAOYSA-N 357.204 3.753 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(C[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587428583 KHGUGHRIDZGKOB-YZIJFISFSA-N 361.438 3.505 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc[nH]n1 587858834 CBRMAQFKLDNBCF-UHFFFAOYSA-N 351.193 3.667 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(OC)c(OC)c1C)[C@@H](C2)C3=O 587440811 CRIGFURTBGWLSN-KSFYIVLOSA-N 368.429 3.770 0 1 FHAF CCC(=O)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400303 QJPRUGMFEUBVQH-KRWDZBQOSA-N 355.390 3.608 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2occc2C(=O)O)N1 587828512 NXQNSSFDBGCYTI-UHLUBPPHSA-N 354.175 3.503 0 1 FHAF NC(=O)Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 587243576 OODGPBKOFBQKKW-UHFFFAOYSA-N 356.385 3.952 0 1 FHAF COC(=O)c1cc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2cn1 587048609 KIZXTPJJJRETKK-UHFFFAOYSA-N 372.812 3.659 0 1 FHAF CC(=O)[C@@H]1C(=O)CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100349 HIULHCZTZMRIJL-GOSISDBHSA-N 355.393 3.943 0 1 FHAF COc1ccnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587771464 LVWBGZDQPHDQPV-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(C=O)c2)N1 587820801 FJTOZFGALHARJO-XYZCENFISA-N 364.214 3.730 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2n1C 587868713 PQUMULQJTVQBAI-UHFFFAOYSA-N 373.338 3.848 0 1 FHAF COc1cc2c(cc1OC)[C@](CC(C)=O)(c1ccc(F)cc1)N(C)[C@H](C)C2 962618887 FBOPVSUQDRTQBJ-PEBXRYMYSA-N 371.452 3.942 0 1 FHAF CN1CCc2c(Br)cccc2[C@@]12C=COc1cc(O)ccc12 963290162 UWILRGNBAPWXGQ-GOSISDBHSA-N 358.235 3.792 0 1 FHAF CCc1nc(Nc2ccc(C(N)=O)cc2)nc(-c2cccc(Cl)c2)n1 143227713 KTXUGBASHFHWES-UHFFFAOYSA-N 353.813 3.597 0 1 FHAF O=C(NN1CCCCC1)c1cnc(C2CC2)c(-c2cccc(Cl)c2)n1 207339561 VBQIKKSINPDZQB-UHFFFAOYSA-N 356.857 3.805 0 1 FHAF O=C(c1cccc(C(F)(F)F)n1)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 1857547880 IQZZJWFSJULHCV-GFCCVEGCSA-N 374.366 3.997 0 1 FHAF FC(F)(F)Oc1cccc(-c2cnc3ccc(-c4cncnc4)nn23)c1 1857591724 ZXGCBYONIWCLQH-UHFFFAOYSA-N 357.295 3.752 0 1 FHAF NCc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCOCC3)c2c1 1857602050 LZIDUGQYXKTRAM-UHFFFAOYSA-N 365.502 3.753 0 1 FHAF O=c1cc(OCc2nnc(-c3ccc(Cl)cc3)[nH]2)c2ccccc2o1 103220549 SAUBNSIDSHVFCX-UHFFFAOYSA-N 353.765 3.811 0 1 FHAF CC(C)N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)nc2)CC1 53295408 XLMIUBHBSRXMGN-UHFFFAOYSA-N 359.857 3.694 0 1 FHAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccncc1 100705005 BXUNIGFJHVDMHI-CYBMUJFWSA-N 354.435 3.903 0 1 FHAF CCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 29128761 WLHVLZCAYDHWGO-IALFWVKVSA-N 373.493 3.806 0 1 FHAF Cc1cc(C(=O)N[C@@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)c(C)o1 2356299270 DJBTVOONTHGDRV-JTQLQIEISA-N 372.352 3.880 0 1 FHAF CC(C)[C@@H]1CC[C@@H]2[C@]1(C(=O)O)CC[C@]1(C)[C@H](O)[C@@](C)(O)C=CC[C@@]21C 2356443643 RXGKONPJVGREKM-CWQYXLLMSA-N 350.499 3.618 0 1 FHAF CC1=CCCC(C(=O)O)=CCc2cc(ccc2O)OC(C)(C)[C@@H](O)CC1 2356531239 TWEYHQNEHHTSGK-IBGZPJMESA-N 360.450 3.984 0 1 FHAF CNc1cc2c(cc1OC)[C](Cc1ccc(OC)c(OC)c1)N(C)C=C2 2356812506 SRYQCLRVQVVDGM-UHFFFAOYSA-N 353.442 3.793 0 1 FHAF CC(C)(C)CCOc1cc(-c2ccc(C(N)=O)cc2)cc2n[nH]c(N)c12 63539959 KQSQZFWRXUXPMI-UHFFFAOYSA-N 352.438 3.726 0 1 FHAF Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc21 34634729 PENAQGMBLHBDLM-UHFFFAOYSA-N 350.357 3.695 0 1 FHAF Cn1cc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cn1 73298605 WSXYDEWTVJALEJ-UHFFFAOYSA-N 365.824 3.729 0 1 FHAF Cc1c(Cc2ccccc2)nc(SCOCc2ccccc2)[nH]c1=O 49089486 ALYJTYVFKRHVRO-UHFFFAOYSA-N 352.459 3.936 0 1 FHAF COc1cc2nc(N3CCCC3)nc(NCc3cccs3)c2cc1OC 82119619 BRCNBGMRTOGKOW-UHFFFAOYSA-N 370.478 3.921 0 1 FHAF Cc1[nH]c(C(=O)N2CCCCC2)cc1Cc1ccc(C(F)(F)F)nc1 1911585852 VJKSKXXUPSBVPD-UHFFFAOYSA-N 351.372 3.954 0 1 FHAF COc1cc(C(F)(F)F)ccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1 87723762 OULZYJCJGXXRLZ-MSOLQXFVSA-N 367.367 3.823 0 1 FHAF in-vitro COc1ccc2cc([C@H]3OC(c4ccc(C)nc4)=NN3C(C)=O)ccc2c1 96935248 KSJVKUZXKHSLMN-OAQYLSRUSA-N 361.401 3.791 0 1 FHAF COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@@H]2O 230100673 WLRZIPVGEMNPES-KRDZULTMSA-N 374.477 3.864 0 1 FHAF endogenous,in-man Nc1nc2ccc(Cl)cc2cc1C(=O)NCCc1c[nH]c2ccccc12 95569560 RRRBYAXVULQEHC-UHFFFAOYSA-N 364.836 3.924 0 3 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CC1CCNCC1 587863021 BBPICVBDMRUASQ-UHFFFAOYSA-N 367.371 3.607 0 1 FHAF Cc1c(Br)cnc2[nH]c([C@@H](N)Cc3ccccc3Cl)nc12 587059698 UZLKVZPUDWNMHK-LBPRGKRZSA-N 365.662 3.925 0 1 FHAF Fc1ccc(S)cc1-c1nc2cc(I)cnc2[nH]1 587141018 MTBMAUJBHIJUHJ-UHFFFAOYSA-N 371.178 3.657 0 1 FHAF O=C(c1cc(-c2ccc(F)cc2)on1)n1ncc2ccc(Cl)cc2c1=O 587652220 YPKPSLUMENYESG-UHFFFAOYSA-N 369.739 3.533 0 1 FHAF CC(=O)C[C@]1(c2ccco2)N[C@H](C)Cc2cc(Br)c(F)cc21 587828985 PLJWKLFXICDDIF-QGHHPUGFSA-N 366.230 3.938 0 1 FHAF CCC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCOCC1 587613081 XKYNDIKUEUBXMG-PXNSSMCTSA-N 354.402 3.929 0 1 FHAF CCOc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450009 CMYPGTOWMHYQCP-IIBYNOLFSA-N 352.386 3.519 0 1 FHAF FC(F)(F)c1ccn(Cc2cc(-c3nc4nc(Cl)ccc4[nH]3)no2)n1 587119342 WHJPNZSFVUPTHV-UHFFFAOYSA-N 368.706 3.530 0 1 FHAF COc1ncc(F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587731820 KYPVBLOORAOPSU-ANRSDYALSA-N 369.209 3.755 0 1 FHAF COc1ccccc1-c1nn(C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587390899 KAUOXMJYOBXTLZ-IBGZPJMESA-N 363.417 3.693 0 1 FHAF CCOC(=O)[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587376633 DRPMHOJKSUSMAO-LJQANCHMSA-N 359.809 3.654 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cncc2F)N1 587736441 VXWYNPJYBGPKBZ-NZFNHWASSA-N 357.173 3.885 0 1 FHAF CCOc1cc(C=O)c(OCC)n1NCc1ccccc1Br 587939850 FZWJEUTVNMUHBD-UHFFFAOYSA-N 367.243 3.604 0 1 FHAF Brc1cc(/C=C/c2nc3cccnc3[nH]2)cc2c1OCCO2 587000192 GXBPSKLJAZGUAD-ONEGZZNKSA-N 358.195 3.662 0 1 FHAF CC(C)n1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587763684 LIFPULISHLZGIM-HWPZZCPQSA-N 352.251 3.989 0 1 FHAF CC(C)OC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349906 QSUWLXTUVCZTBQ-PZJWPPBQSA-N 372.392 3.991 0 1 FHAF C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(F)ccc2c1C1OCCO1 587636058 YQLYEQWHLVFYRO-SNVBAGLBSA-N 350.390 3.938 0 1 FHAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cccc(Cl)c1 587639183 XHFVCDLTWLWMMD-UHFFFAOYSA-N 357.749 3.537 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 586950622 KFAVVLHLFXSACW-UHFFFAOYSA-N 371.340 3.500 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](O)C2(C)C)N1 587821855 KDUXGZXRZGEZNU-PGQWDYDZSA-N 356.279 3.889 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccccn12 587587569 OMWZQFAGURSTEA-GHTZIAJQSA-N 358.353 3.743 0 1 FHAF COc1ccccc1[C@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962919594 JPVFATYMAUSKFX-LAUBAEHRSA-N 357.425 3.723 0 1 FHAF CS(=O)(=O)[C@@H]1CCCC[C@]12c1ccsc1CCN2Cc1ccco1 962702516 AMWOBQLMNASCTQ-MSOLQXFVSA-N 365.520 3.582 0 1 FHAF COc1ccc(-c2nc3cc(C(=N)NC(C)C)ccc3n2C)cc1OC 5130948 MGXQZFHYACQDBX-UHFFFAOYSA-N 352.438 3.581 0 1 FHAF O[C@H](CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 204418734 QTZPWWSNQZPGEE-GOSISDBHSA-N 373.378 3.986 0 1 FHAF CC(C)(C)c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1 1857629080 IJTRFDKRAHDWGU-UHFFFAOYSA-N 353.510 3.970 0 1 FHAF CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)c1 4211870 JAZYWZJANYIPBN-IEBWSBKVSA-N 372.852 3.919 0 1 FHAF CSc1ccc(Cn2c(C)c(C(=O)NCc3ccco3)sc2=O)cc1 61905432 MSCZJFJEGJICQY-UHFFFAOYSA-N 374.487 3.511 0 3 FHAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCCCc1cccnc1 28098211 XONDTELHYJANTH-UHFFFAOYSA-N 351.454 3.681 0 1 FHAF CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)N1CC2CCC1CC2 26471564 WYPMSEKLGWBBMV-YVZBVZGPSA-N 362.514 3.956 0 1 FHAF CC1=CCCC2=C[C@@H](OC2=O)c2cc(ccc2O)OC(C)(C)[C@@H](O)CC1 2356809698 ASDONKGQZJLQHS-MOPGFXCFSA-N 358.434 3.955 0 1 FHAF FC(F)(F)c1ccccc1CCO[C@@H]1CCCC[C@@H]1N1CCOCC1 38824159 NMVFFWCXMIUZSW-ZWKOTPCHSA-N 357.416 3.908 0 1 FHAF C[C@H](NC(=O)Oc1cccc2c1OC[C@H]1CCN(C)[C@H]21)c1ccccc1 36286947 GDJCEUYIQJRPFO-GMBSWORKSA-N 352.434 3.921 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N4CCCC4=O)[C@@H]3CC[C@@H]12 48999581 KHXMIGFJSMMWCX-GGYKVVAASA-N 372.553 3.841 0 1 FHAF Cc1ccnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc(C)ccc2F)c1 1911581844 JGJXMQVCWASLHC-QGZVFWFLSA-N 364.424 3.831 0 1 FHAF COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2cc(Cl)ccc2c1=O 40874494 QPGHJINBIZEEAX-UHFFFAOYSA-N 351.793 3.763 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2F)s1 142565844 QERGHILNBWVIKQ-UHFFFAOYSA-N 370.331 3.954 0 1 FHAF CC1=C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@@H]1O 238767251 XUBRQXOGVTUWAS-JIWOIOHBSA-N 358.478 3.726 0 1 FHAF O=C(CNC(=O)c1cc(Cl)ccc1O)Nc1ccc(Cl)c(Cl)c1 96932414 ZPNGAGQJMNUTRC-UHFFFAOYSA-N 373.623 3.721 0 1 FHAF NC1=N[C@@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)C[C@H]2CCS1 95588491 WQDXYYJHDFSNIX-KZULUSFZSA-N 372.881 3.654 0 1 FHAF COc1cccc(NC(=O)N2CC[C@@H](c3nc4cc(OC)ccc4[nH]3)C2)c1 51048171 JHMQERDMXUDMOM-CYBMUJFWSA-N 366.421 3.602 0 1 FHAF biogenic COc1ccc(CC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653773261 RXUQIEZACFCNTQ-UHFFFAOYSA-N 369.417 3.717 0 1 FHAF COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1N 587747226 KTKZXQBQQSCYBD-XYZCENFISA-N 365.246 3.803 0 1 FHAF CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(OC(F)(F)F)cc1 587368115 ICGZNZICFOGWFM-UHFFFAOYSA-N 365.311 3.954 0 1 FHAF CC(=O)c1cc(C(C)=O)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587405052 IUGJSNNZCJCJEC-NRFANRHFSA-N 351.402 3.863 0 1 FHAF Cc1noc(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587793065 JJKBQGUFRCSOKN-BCTVWOGZSA-N 353.235 3.991 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccs3)c2c1 587648880 IPOXMIWWLUUXIC-UHFFFAOYSA-N 373.377 3.883 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cccnc1Cl)O2 587380940 YNCWVATTYPNAGT-ZLQZBKBYSA-N 357.841 3.562 0 1 FHAF CCOC(=O)[C@@H](c1ccccc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439532 BKPHQFDYYBLFPT-PERKRYKHSA-N 366.413 3.548 0 1 FHAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587774781 XRMXFFTWCNRAJI-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF Cc1cc(Br)ccc1OCc1nc2cnc(Cl)[nH]c-2n1 586981162 LKNZXWUWVLFRIA-UHFFFAOYSA-N 353.607 3.608 0 1 FHAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1 587130787 REBYCOJFQCHKBE-UHFFFAOYSA-N 352.362 3.625 0 1 FHAF COc1cccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587772530 OFRFFPCEBUEGGI-RFAUZJTJSA-N 351.219 3.615 0 1 FHAF C[C@]1(c2csc(=N)[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379508 YMOROMJEKLQWHA-QFBILLFUSA-N 370.405 3.675 0 1 FHAF Cc1csc([C@@](O)(Cc2nc3cc(C)c(F)cc3[nH]2)C(F)(F)F)n1 587094754 UYFKWIZIGSBPFY-AWEZNQCLSA-N 359.348 3.768 0 1 FHAF O=S(=O)(O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587084944 JRMPXRMBYYDUOQ-UHFFFAOYSA-N 359.794 3.678 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cccnc32)N1 587779197 QUMOEIDWZGCFDS-QGHHPUGFSA-N 363.230 3.544 0 1 FHAF O=C(c1cc(-c2ccc(O)cc2)on1)n1nc2cc1Oc1ccc(F)cc1-2 587875550 QQGIVELJOUDONP-UHFFFAOYSA-N 363.304 3.844 0 1 FHAF Oc1ncnc2ccc([C@H]3c4ccsc4CCN3Cc3cccnc3)cc12 962990856 CBFDZRAFOVZVOC-FQEVSTJZSA-N 374.469 3.940 0 1 FHAF C[C@H]1CN(C)C[C@@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963816510 CUVVXVCXENNQCJ-QMHKHESXSA-N 361.489 3.669 0 1 FHAF COc1ccc(-c2c([C@@H]3NCCc4cccc(Cl)c43)cnn2C)cc1 963390422 JIFBQCAPNACEEF-IBGZPJMESA-N 353.853 3.984 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cn(-c3ccccc3)nn2)N1 962943851 CYYCEQALKBMGBZ-QRQCRPRQSA-N 357.461 3.936 0 1 FHAF COc1ccc2c(c1)[C@](C)(Cn1nc(Cl)nc1Cl)N(C(C)C)CC2 962094832 SZGVWZABDJFNNZ-KRWDZBQOSA-N 369.296 3.775 0 1 FHAF O=C1C=C[C@@]2(C[C@H](OC(=O)/C=C/c3ccccc3)[C@@H](c3ccccc3)O2)O1 1772612192 SGSAJTBMFFIZRD-ZPPMGONKSA-N 362.381 3.583 0 1 FHAF CCc1ccc(-c2nc(CN3CCC[C@@H](C(=O)NC4CC4)C3)c(C)o2)cc1 5056016 PWZUQGHBBBHAJS-GOSISDBHSA-N 367.493 3.703 0 1 FHAF O=C(c1cc2c(O)cc(O)cc2[nH]1)N1CCC(Cc2ccccc2)CC1 13554240 SUNBRFIRXOYWAE-UHFFFAOYSA-N 350.418 3.674 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 169723979 ZJIGUKOOTNNYSF-WBVHZDCISA-N 361.413 3.789 0 1 FHAF Oc1nc(/C=C/c2c(Br)ccc3c2OCO3)nc2ccccc12 1857579470 QHLAKGGTGCEFLI-VMPITWQZSA-N 371.190 3.997 0 1 FHAF CCCCS(=O)(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1 1857606537 NHROOFVHLXMHIC-UHFFFAOYSA-N 362.470 3.930 0 1 FHAF CCCc1c(OCC(=O)c2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O 27892593 LAFZGENYJOQKAN-UHFFFAOYSA-N 356.374 3.507 0 1 FHAF O=C1CC[C@]2(c3ccc(F)cc3)O[C@@H](COc3ccc(Cl)cc3)CN12 27523094 OBVJBQUCQQIJMO-IEBWSBKVSA-N 361.800 3.732 0 1 FHAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(-c2cccnc2)s1 34044506 GGJVIKJRBHCNKM-MAODMQOUSA-N 364.470 3.858 0 1 FHAF c1cc(-c2nc(NC3CCNCC3)c3c4c(sc3n2)CCCC4)ccn1 1911571932 FGSYOTHLXJHGRS-UHFFFAOYSA-N 365.506 3.796 0 1 FHAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3c(C)cc(C)cc32)c1 40899078 ZGCZMYJDFIRBHU-GOSISDBHSA-N 351.402 3.689 0 1 FHAF COC(=O)[C@]1(c2ccc(O)cc2)Nc2ccccc2-c2ccnc3[nH]cc1c23 45336574 MREYIJBXTKVWBW-JOCHJYFZSA-N 371.396 3.778 0 1 FHAF CCCOc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 40879560 GIRQQXWGXBMCNO-UHFFFAOYSA-N 364.421 3.877 0 1 FHAF O=S1(=O)N=[S@@](c2ccc(Br)cc2)c2ccc(F)cc21 95560561 ZYXHFBAQRDHEJZ-GOSISDBHSA-N 360.229 3.510 0 1 FHAF O=c1nc(N2CCOCC2)oc2c(-c3cc4ccccc4s3)cccc12 653813153 GRUKVISAMVIBMY-UHFFFAOYSA-N 364.426 3.906 0 1 FHAF Cc1c(-c2nc3c(F)c(F)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587028978 DJOKCGYPHUICAW-UHFFFAOYSA-N 358.373 3.991 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)NC3CC3)cc1)O2 587389430 KLVRHYCFWNDTQM-OAQYLSRUSA-N 365.433 3.742 0 1 FHAF O=C1C[C@H](c2cnc(N3CCOCC3)s2)Oc2c1ccc1c2CCCC1 587535715 NRFPXQDSVMJMHK-QGZVFWFLSA-N 370.474 3.565 0 1 FHAF COc1cc2c3c(c1)O[C@]1(C(=C(C)C)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587453546 PBAXTBQQZLPAJR-BTYIYWSLSA-N 350.370 3.730 0 1 FHAF CC(C)(C)[C@H](N)c1nc2c(Br)cnc(Br)c2[nH]1 587257477 BIBONLVSRFCLJS-MRVPVSSYSA-N 362.069 3.529 0 1 FHAF COc1cc2c3c(c1)OC1(CCN(CC4CCCCC4)CC1)[C@@H](C2)C3=O 587439470 UJVMFEHWISYBAE-SFHVURJKSA-N 355.478 3.858 0 1 FHAF COc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120214 COMNIMSPOXDVPY-UHFFFAOYSA-N 350.222 3.999 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 586938974 MEOSRHBSHQOPFI-AWEZNQCLSA-N 357.479 3.924 0 1 FHAF CC(C)C1=C[C@@]2(CC(=O)O1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587834196 QVEGNBHGAJDAFR-BTDLBPIBSA-N 368.246 3.805 0 1 FHAF CC[C@@]1(C2=NCCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616386 CTPJHSRDCVDZNP-HNAYVOBHSA-N 355.415 3.648 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)cc1N)[C@@H](C2)C3=O 587412696 JSETUMFOSUFQTN-SCLBCKFNSA-N 374.234 3.703 0 1 FHAF Cn1ccnc1[C@]1(c2ccc(N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512169 LODBBJUKOFUDGV-HSZRJFAPSA-N 373.456 3.790 0 1 FHAF COC(=O)[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587807129 LCJLTTHVXKYYRH-HWPZZCPQSA-N 358.251 3.537 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(N)cc21 587391160 SOYVNLHIZTWCEE-HSZRJFAPSA-N 370.408 3.613 0 1 FHAF O=C(Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)Oc1ccccc1 587554626 LSGAKHWTWRTHTK-UHFFFAOYSA-N 374.356 3.714 0 1 FHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccnc1C1CC1 587661080 MBPIOFGXBGAADN-UHFFFAOYSA-N 358.376 3.859 0 1 FHAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(C)ccc(C)c4[nH]3)cc12 587038079 QCNNLTLYLNHDIC-LBPRGKRZSA-N 367.478 3.927 0 1 FHAF Clc1cc(I)cc(-c2nc3cnccc3[nH]2)c1 587184422 SKOXVBCIIKUWDP-UHFFFAOYSA-N 355.566 3.883 0 1 FHAF c1ccc(Cn2nnc3c(NC4CCC4)nc(-c4ccccc4)nc32)cc1 13589735 DRAZLBPSQYHHCU-UHFFFAOYSA-N 356.433 3.901 0 1 FHAF COc1ccc(-c2oc3c(OC)cc(OC)c(OC)c3c(=O)c2OC)cc1 14645044 JPQBOQRCDMMBBM-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF endogenous,in-man CC(C)CC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164822129 JCPOSHMOBVDGIY-UHFFFAOYSA-N 360.421 4.000 0 1 FHAF CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1C(C)C 1364208 AENUORICOLJQPZ-UHFFFAOYSA-N 363.483 3.804 0 3 FHAF CCOc1cc2[nH]c(=S)n(Cc3ccc(C)o3)c(=O)c2cc1OCC 3010203 NCGMDYBQTNXNCU-UHFFFAOYSA-N 360.435 3.806 0 1 FHAF CN1[C@H]2CC[C@H]1CC(NC1CCN(Cc3ccc(Cl)cc3F)CC1)C2 101595007 FPGDJTQXXKYMSU-OALUTQOASA-N 365.924 3.658 0 1 FHAF O=C1Cc2c(OCCNCc3ccc(Cl)cc3)ccc(Cl)c2N1 26163145 JPSMZWRPAFVXDX-UHFFFAOYSA-N 351.233 3.657 0 1 FHAF CC(C)C[C@@H]1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O 58511310 ARJPLPHVQBNIKZ-SUMWQHHRSA-N 367.902 3.988 0 1 FHAF CC[C@@H](Cc1ccc(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251308 FUKQDYZBSPYJEJ-SFHVURJKSA-N 361.507 3.925 0 1 FHAF CC1(C)CCC[C@H]1N1C(=O)CC(=O)N(CCc2ccc(Cl)cc2)C1=O 101678314 KCLRPHBXNOKMFE-OAHLLOKOSA-N 362.857 3.642 0 1 FHAF Nc1nc(N)c2cc([S@@](=O)c3ccccc3-c3ccccc3)ccc2n1 59720573 IFWJIECPWZIVHB-SANMLTNESA-N 360.442 3.628 0 1 FHAF CC(C)Oc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CCNC2)cc1 28823609 FYXWYSYCIQWLQO-LJQANCHMSA-N 370.468 3.660 0 1 FHAF NC[C@@H](NC(=O)c1cc(-c2ccnc3[nH]ccc23)cs1)c1ccccc1 40895313 FRSCXNVIGBMZPG-QGZVFWFLSA-N 362.458 3.721 0 1 FHAF CC1(C)C=Cc2nc(CN(c3ccccc3)S(=O)(=O)C3CC3)ccc2O1 82158436 RKBIXXSUMUVNMN-UHFFFAOYSA-N 370.474 3.765 0 1 FHAF COc1ccc(-c2c(=O)ncn3nc(Sc4ccccc4)ccc23)cc1 84602736 YYQVWVIXANHAAH-UHFFFAOYSA-N 361.426 3.916 0 1 FHAF NC(=O)/C=C/c1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c1 224326351 MKFRNUYGBIWLOX-QPJJXVBHSA-N 367.302 3.987 0 1 FHAF COC(=O)[C@]12CCC[C@@]3([C@H]4Cc5occc5[C@H](C)[C@@H]4CC[C@H]31)[C@H](OC)OC2 238787478 CFHDLAKXWKVAMW-BWUGXGRHSA-N 374.477 3.914 0 1 FHAF Cc1cc(=O)oc2c(C)c(O)c(-c3ccnc4nc5ccccc5n34)cc12 653764419 AOUANTCDLJYGLN-UHFFFAOYSA-N 357.369 3.978 0 1 FHAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587938040 SDOJENVZSPSMIV-XPTSAGLGSA-N 351.328 3.822 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)c2ccc(C)cc21 587478988 ANYSWLKXEMWXFG-QFIPXVFZSA-N 365.429 3.880 0 1 FHAF Cc1ccc2c(n1)NCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595916 PVLQDYROIZZVQB-XMSQKQJNSA-N 374.396 3.768 0 1 FHAF COC(=O)c1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525580 QKBFQNQEZSYTCG-IBGZPJMESA-N 352.386 3.764 0 1 FHAF NC(=O)Nc1cccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587241662 FSGRQCIRIIGVJL-UHFFFAOYSA-N 366.606 3.531 0 1 FHAF Cc1cc(O)cc(O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608908 NJJVQRDWKMJKEB-RXVVDRJESA-N 364.353 3.815 0 1 FHAF CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586910673 JCOJSJUFQVXGLL-ZWNOBZJWSA-N 362.373 3.529 0 1 FHAF COC(=O)C[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990881 HLSCSQFDGSYQOI-GFCCVEGCSA-N 373.408 3.820 0 1 FHAF Cc1ccc(-c2nnc(SCc3nc4cccc(O)c4[nH]3)n2C)cc1 586965310 IKJQLJINPRBPMD-UHFFFAOYSA-N 351.435 3.665 0 1 FHAF CCOc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)ccc1O 962627133 KTFQZIIZMUJVIL-YEJXKQKISA-N 357.450 3.774 0 1 FHAF Cc1[nH]nc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1Cl 962695874 GFKFZUUBWUASJN-DIFFPNOSSA-N 351.878 3.964 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(C)cc3F)C2)cc1 1772650192 XOIOITLSNQPULW-HNAYVOBHSA-N 356.441 3.989 0 1 FHAF CS(=O)(=O)c1ccc(-n2c(-c3ccc(F)cc3)cnc2Cl)cc1 13525082 JZLUVOZEPTWSOZ-UHFFFAOYSA-N 350.802 3.735 0 1 FHAF C[S@](=O)c1ccc(C(=O)[C@H](Nc2nccs2)c2ccccc2)cc1 13588951 OBSDSXVVARSSEP-VOIUYBSRSA-N 356.472 3.917 0 1 FHAF OCCCNc1ccc(-c2cncc(Nc3cccc(Cl)c3)n2)nc1 13612183 XJKHFVURJJPEDE-UHFFFAOYSA-N 355.829 3.730 0 1 FHAF Cc1ccccc1CN1CCCC[C@H](NC(=O)Nc2cccc(F)c2)C1=O 200051751 ICZSBASSMDZUBU-IBGZPJMESA-N 369.440 3.837 0 3 FHAF c1ccc(-c2nnn3c2[C@H]2CCCCN2Cc2cc4c(cc2-3)OCO4)cc1 1857601514 IIOJSXPYNKWTRI-MRXNPFEDSA-N 360.417 3.704 0 1 FHAF N[C@H](COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1 1857624020 XFTPNRUQKBIHDT-OAQYLSRUSA-N 361.445 3.570 0 1 FHAF COc1ccc([C@@](O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1 599405 XXVSCXWFPLJIDG-HSZRJFAPSA-N 371.440 3.890 0 1 FHAF Fc1ccccc1N1CCN([C@H]2NC=Nc3sc4c(c32)CCCC4)CC1 7078017 UAZOOALGJXYRIM-LJQANCHMSA-N 370.497 3.850 0 1 FHAF CCOC(=O)[C@@]12C[C@@]1(Cc1ccccc1)c1cc(Cl)ccc1NC2=O 101052113 TWBYZAQKOBNUBW-PMACEKPBSA-N 355.821 3.726 0 1 FHAF COC(=O)c1cc2c(OC[C@@H](N)Cc3ccccc3)ccc(Cl)c2n1C 103224930 GKBUCPRUVSPYJK-AWEZNQCLSA-N 372.852 3.567 0 1 FHAF COc1cc([C@H]2CN=C(c3ccc4ncccc4c3)O2)cc(OC)c1OC 27524654 FJNVMPCZJQPCKX-LJQANCHMSA-N 364.401 3.779 0 1 FHAF Nc1ccccc1NC(=O)c1ccc(C[C@@H]2COc3ccccc3C2=O)cc1 28826558 VZSBSGMJXMQMFU-QGZVFWFLSA-N 372.424 3.955 0 1 FHAF O=C(Cn1c(=O)n(Cc2ccccc2)c2ccccc21)c1ccc(F)cc1 26718727 DNFRPYGMTFJZIA-UHFFFAOYSA-N 360.388 3.873 0 1 FHAF CCN(CC)c1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1 27562906 VLEWVGZHANTYMD-UHFFFAOYSA-N 374.868 3.857 0 1 FHAF CO[C@@]1(C)CC[C@H]2[C@H](C)CC[C@H]3[C@@H](C)C(=O)N(Cc4ccccn4)[C@H](O1)[C@H]23 27557314 AKJBOILCNJVMIB-HDGNDPHKSA-N 372.509 3.838 0 1 FHAF CN1CCC[C@@]12CCCC[C@@H]2NC(=O)Cc1ccc(Br)cc1 28252377 VKXIMAMXUANMDZ-FUHWJXTLSA-N 365.315 3.515 0 1 FHAF c1cc2c(cc1OC[C@H]1CCCO1)CCC1(CCN(C3CCC3)CC1)O2 73219054 GGSRLYYZMAZEFO-HXUWFJFHSA-N 357.494 3.957 0 1 FHAF CCN(CC)C(=O)NCCC[C@@H](C)Nc1cc(OC)cc2cccnc12 40380036 HVQBNNONQOHPFI-OAHLLOKOSA-N 358.486 3.875 0 1 FHAF CCCCc1cc(N2CC[C@H](NC(C)=O)C2)nc(Nc2ccc(C)cc2)n1 45229341 VAKUBOYSQMKJEN-IBGZPJMESA-N 367.497 3.586 0 1 FHAF Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC(C)C)cn1 142214815 KKXFVUZLEPUQCF-UHFFFAOYSA-N 368.412 3.934 0 1 FHAF CC(C)[C@](C)(CO)NC(=O)c1cc(Cc2ccc(F)cc2)c(Cl)cn1 149229047 DJRWLGFKUICRDD-IBGZPJMESA-N 364.848 3.602 0 1 FHAF CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccc(C)cc1 96903294 WFTRSMOQEDFTCC-LJQANCHMSA-N 355.478 3.550 0 1 FHAF Clc1ccc2c(NCc3cn(CCCN4CCCC4)nn3)ccnc2c1 473082945 LWSFXECBVJLFIK-UHFFFAOYSA-N 370.888 3.578 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](CO)C2)[C@@H]1c1ccc(F)cc1 587352738 MBYXYCDBLMMDPS-DYHNYNMBSA-N 356.393 3.812 0 1 FHAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2[nH]c(=N)oc12 587507090 AEKJUMDZSNVUQC-QGZVFWFLSA-N 364.401 3.834 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)C12CCOCC2 587481260 BBXMXIYUYLPVCN-WIYYLYMNSA-N 360.450 3.654 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cnn(C)c4)s1)[C@@H](C2)C3=O 587451289 MPRQCCBHBRSZRM-DJJJIMSYSA-N 352.415 3.646 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3cnccn3)s1)CC2=O 587498120 YRMGIHKFUZAEMP-MRXNPFEDSA-N 367.430 3.965 0 1 FHAF O=S(=O)(/C=C\c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1 586924444 QHGCQZACTPMIQU-HJWRWDBZSA-N 368.336 3.906 0 1 FHAF Fc1ccc2c(c1)C[C@H](c1nc3c(F)cnc(Br)c3[nH]1)O2 587173839 JYUGGCUTQFJBAO-SNVBAGLBSA-N 352.138 3.675 0 1 FHAF C[C@H]1C[C@@H](C)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349386 BYXDWDJMJVLITL-FZWVYGQTSA-N 354.377 3.874 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587079131 GVUQZAPIMJBKIM-SUMWQHHRSA-N 368.828 3.664 0 1 FHAF CCOC(=O)c1ccc2nc(CCCc3ccc(OC)cc3OC)[nH]c2c1 587928484 GPOPGPWYTVQALO-UHFFFAOYSA-N 368.433 3.932 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1COc1cccc(F)c1 587574435 ZYJDMGUWEAHDDB-RBUKOAKNSA-N 366.344 3.941 0 1 FHAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587436639 SPPBMCCFMMCXSH-YZVOILCLSA-N 373.449 3.601 0 1 FHAF COc1cc2c3c(c1)O[C@](C)([C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587437815 LMFNRBRIXGTZRM-HTZUNMPGSA-N 373.449 3.601 0 1 FHAF CCC1(CC)OC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 587610763 QOZCPPHMIMVZCX-HLIPFELVSA-N 370.401 3.654 0 1 FHAF CCCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597826 SAEMDSPUWGLNLM-NQIIRXRSSA-N 370.401 3.846 0 1 FHAF CC(C)c1nn(C)c2c1[C@@](C(=O)c1ccsc1)(c1ccsc1)NCC2 962920154 LMNLHAFDXIUBFC-LJQANCHMSA-N 371.531 3.939 0 1 FHAF CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1Cl 146805988 FJXXVLHXLPRIGW-UHFFFAOYSA-N 357.797 3.760 0 1 FHAF COc1ccc2c(c1)COc1c-2oc2c(C)c(O)c(C)c(OC)c2c1=O 1857576239 OZEWYMPWDQQUJH-UHFFFAOYSA-N 354.358 3.692 0 1 FHAF Brc1ccc2[nH]c(-c3cncn3C[C@H]3CCCCN3)cc2c1 1857629699 KAKIPBBHSOKMEY-CQSZACIVSA-N 359.271 3.936 0 1 FHAF CCO[C@H]1CCCN(c2cc(C)nc(Nc3ccc(F)c(OC)c3)n2)C1 1857650790 DYBCSEQBSUBLMV-HNNXBMFYSA-N 360.433 3.682 0 1 FHAF Cn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Nc3ccccc3)nc21 4238931 UITAXHDGQUAAGC-UHFFFAOYSA-N 363.808 3.788 0 1 FHAF O=C(NCc1c(F)cccc1F)c1cc(C(=O)c2ccccc2F)c[nH]1 53296585 XRNPOWBGKGBXDS-UHFFFAOYSA-N 358.319 3.593 0 1 FHAF Cc1c(O)ccc2cc(-n3cc(-c4cc5ccccc5[nH]4)nn3)c(=O)oc12 53296014 JSQUMEMCGQBJOQ-UHFFFAOYSA-N 358.357 3.536 0 1 FHAF O=C(C1CCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 100104800 CEMIDAYJCBZLPS-WKCHPHFGSA-N 350.437 3.559 0 1 FHAF O=C(Nc1ccccc1)c1c(-c2ccccc2)n(O)c2ccccc2[n+]1=O 64510751 LXLMASBAVCFRPG-UHFFFAOYSA-O 358.377 3.712 0 1 FHAF O=c1c2ccccc2nc2n1[C@@H]([C@@H]1c3ccccc3N=C3CCCN31)CC2 15121875 JSBWLMOPVBHTTO-NQIIRXRSSA-N 356.429 3.765 0 1 FHAF biogenic CCCCC[C@H]1C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195216429 OMZWQYNMKBPQOL-XYYWPMIOSA-N 369.505 3.740 0 1 FHAF COc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccn1 139827576 COCJEYWHBJXKHQ-UHFFFAOYSA-N 369.428 3.699 0 1 FHAF CC(C)S(=O)(=O)N[C@@H]1c2cc3c(cc2[C@H](c2ccccc2)[C@H]1C)OCO3 199724378 MLEZCJSRXRSQLQ-CWVNLOTRSA-N 373.474 3.566 0 3 FHAF Nc1ncc(-c2cc(C3CCOCC3)n(C3CC(F)(F)C3)n2)cc1F 146475309 SCZINXDTJGVHOD-UHFFFAOYSA-N 352.360 3.531 0 1 FHAF C[C@]1(c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CCSC(N)=N1 96174289 AKLATASKTPLNJX-QGZVFWFLSA-N 360.870 3.654 0 1 FHAF CC(C)C[C@H]1CN2C(=CC3=NC[C@H](C(C)C)N3C[C@@H]2Cc2ccccc2)N1 473109555 SUBVKHWASCAJSE-PCCBWWKXSA-N 366.553 3.511 0 1 FHAF CN1CCC(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2F)CC1 473105420 SGSLWTIFTLMNRI-UHFFFAOYSA-N 358.388 3.742 0 1 FHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccnc(Cl)c4[nH]3)cc2N1 587127264 UZLRDWZDCNJBQI-RCOVLWMOSA-N 356.739 3.782 0 1 FHAF CCc1ccc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2c1 587223019 LORMHKVEAZEZSH-UHFFFAOYSA-N 367.449 3.704 0 1 FHAF O=C(O)c1cc(F)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 587118447 NMMPPDNJNMCKCU-UHFFFAOYSA-N 368.290 3.541 0 1 FHAF CCCC(=O)O[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591860 FJRNPPKVUYUYDR-LZHZSBQWSA-N 370.401 3.844 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc12 587060371 DIMZYZVZESIDAS-UHFFFAOYSA-N 354.753 3.720 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(CCOCC3)C2)N1 587833084 FKFYQFKMGFRWSA-LLVKDONJSA-N 354.263 3.908 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587447461 SECCVSBZIPKFOU-JTSKRJEESA-N 366.413 3.820 0 1 FHAF CC1(C)C[C@]2(CC[C@H]1O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587609638 OLQDNHVPISUKME-LZJOCLMNSA-N 354.402 3.664 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Cl)cccc21 587462987 SHOPCFPHXIXQHQ-LJQANCHMSA-N 357.793 3.811 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(N)c32)N1 587744596 HNQZZSVXLVLMHL-MLCYQJTMSA-N 361.258 3.894 0 1 FHAF COc1cccc([C@@]2(C3CC3)N[C@H](C)Cc3c(OC)ccc(OC)c32)c1 963640637 WXDDESDJDGGEGC-JLCFBVMHSA-N 353.462 3.900 0 1 FHAF COc1ccc(OC)c(NC(=O)C[C@@]2(C)NCCc3cc(C)c(F)cc32)c1 962095863 XYELUKJAOQMUME-OAQYLSRUSA-N 372.440 3.541 0 1 FHAF CC(=O)c1cc(CN2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)cs1 11841560 LCTHVCSVSBQKDQ-HXUWFJFHSA-N 362.539 3.811 0 1 FHAF O=C(CC[C@H]1CCCN(Cc2ccncc2)C1)NCc1ccc(F)c(F)c1 13596131 DIWJNFCZVMXODG-MRXNPFEDSA-N 373.447 3.668 0 3 FHAF Cc1ccnc([C@H](C)O)c1-c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1 169700137 PZTMYTIVXKJTBY-ZLIFDBKOSA-N 365.408 3.955 0 1 FHAF O=C(NCc1cccc2c1OCCCO2)c1ccc(-c2ccncc2)cc1 1857562996 ZNHSSCHACDGIFB-UHFFFAOYSA-N 360.413 3.840 0 1 FHAF CCOc1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O 13744110 CXSKDJNPSRESHH-UHFFFAOYSA-N 362.474 3.783 0 1 FHAF COCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)cc1F 2483918 CAICMGPGZHSYOK-UHFFFAOYSA-N 354.809 3.808 0 1 FHAF CCOC(=O)c1cc2c(oc1=O)-c1c(cn(Cc3ccccc3)c1C)CC2 101624516 CXHCGVVGOSYMGE-UHFFFAOYSA-N 363.413 3.740 0 1 FHAF CC(C)CN1CCN(C(=O)[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 103231668 ATLIUJIEFAFYBZ-HXUWFJFHSA-N 371.912 3.667 0 1 FHAF CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(C)CS3)s1 28826983 FMEOMSYWMHIHTC-UHFFFAOYSA-N 369.475 3.962 0 1 FHAF O=C1CCC[C@]2(c3ccccc3)O[C@@H](COc3ccc(Cl)cc3)CN12 27522796 WEYMNWQFPNPNLA-UYAOXDASSA-N 357.837 3.983 0 1 FHAF CCCCC/C=C\C[C@H]1O[C@H]([C@H](O)C/C=C\CCCC(=O)O)C[C@H]1O 28895908 AWZVRICAMPEGBC-ZOUPOTFTSA-N 354.487 3.594 0 1 FHAF COc1cc2c(cc1OC)Nc1ncnc(NCc3ccccc3)c1NC2 36758620 SLYLBACSXAVTAA-UHFFFAOYSA-N 363.421 3.775 0 1 FHAF CC(C)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O 216984795 JIYAXHKPIXIXDQ-VXPBHUBDSA-N 353.506 3.922 0 1 FHAF CC[C@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1 82133392 DWBSDRIFYVZIAW-INIZCTEOSA-N 352.482 3.908 0 1 FHAF CCCC[C@@H](/C=C1/C[C@@](CO)(COC(=O)c2ccc(C)cc2)OC1=O)CC 42922330 URMIFSQXHSBVND-DBADBBAGSA-N 374.477 3.973 0 1 FHAF CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1ccccc1 84688949 RWTXMBYVIDDMCD-UHFFFAOYSA-N 358.397 3.925 0 1 FHAF COc1cc2oc(=O)cc(-c3ccc4c(ccn4C)c3)c2c(OC)c1OC 40404944 YSPLKVCMZMENOY-UHFFFAOYSA-N 365.385 3.978 0 1 FHAF CCOC(=O)c1c(C)c(C)c(C)n1Cc1cc(OC)c(OC)c(OC)c1 45260471 ROSFLHLHMSMLNC-UHFFFAOYSA-N 361.438 3.664 0 1 FHAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2c(c1)OCCO2 95589195 XGKDISZPYWHGMB-KRWDZBQOSA-N 356.809 3.809 0 1 FHAF O=C(O)C[C@@H](O)C[C@@H](O)/C=C/c1[nH]c2ccccc2c1-c1ccc(F)cc1 95617673 POFAWBXODXSMNI-IGXNXKSNSA-N 369.392 3.574 0 1 FHAF endogenous,world CC(C)CC[C@]1(O)c2cc3c(O)cccc3cc2C(=O)[C@H](C)[C@H]1C(=O)OO 111460432 STXVCFZKJAHSFN-NWXLUKJOSA-N 372.417 3.634 0 1 FHAF biogenic CC1(C)C=Cc2c(c(O)cc3c2OC[C@H]2c4cc5c(cc4O[C@H]32)OCO5)O1 85996203 JEDDWGYBFZMEOV-ORAYPTAESA-N 366.369 3.915 0 1 FHAF biogenic O=C1C[C@H](c2nc3cc(F)cc(F)c3[nH]2)CN1Cc1ccc(F)cc1F 587149189 MZCDQBVFRBHAKK-JTQLQIEISA-N 363.314 3.635 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1COc1ccccc1F 587566608 AAMIFPSSDCJFQC-OALUTQOASA-N 366.344 3.941 0 1 FHAF COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 587774199 TVMOWLULSFRSCJ-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF CCN1CC[C@]2(C[C@@H]1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582909 PEDZVGOCTSNRGI-DHUIEDIVSA-N 353.418 3.597 0 1 FHAF COCc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587586173 HWZIEIIQTAAZRZ-WIYYLYMNSA-N 363.369 3.637 0 1 FHAF CCOC(=O)[C@@H]1CCCCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442959 RWVVGXJYFXAARM-MRUHUIDDSA-N 358.434 3.715 0 1 FHAF CCC[C@@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592565 AGSRINFPPCDDGG-RXVVDRJESA-N 370.401 3.846 0 1 FHAF N=c1nc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c(Cl)[nH]1 587073295 BBXWBOLSSVBMIV-UHFFFAOYSA-N 357.204 3.801 0 1 FHAF Cc1cc(-c2nc3nccc(C)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587126354 YJOPLLIUCRDQCZ-UHFFFAOYSA-N 370.356 3.503 0 1 FHAF CN(C)CCOc1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 587007429 LKBBNKJENGQOME-UHFFFAOYSA-N 350.216 3.526 0 1 FHAF Cc1occc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656535 MUVCFSGYWOPSAT-UHFFFAOYSA-N 366.323 3.932 0 1 FHAF O=C1C[C@@](c2cccnc2)(c2ccncn2)Oc2c1ccc1c2CCCC1 587528399 ZEZDPIXYNNRDFI-JOCHJYFZSA-N 357.413 3.659 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1c(C)cccc1C)[C@@H](C2)C3=O 587433671 SZQHLOOLYVRXMN-AOMKIAJQSA-N 365.429 3.847 0 1 FHAF C[C@@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)N(C)C 587190395 HSUIQPFEOYLZMG-ZETCQYMHSA-N 366.181 3.717 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccnn1-c1ccc(F)cc1)[C@@H](C2)C3=O 587429536 WCIAMUGGAOXKEQ-MGPUTAFESA-N 350.349 3.509 0 1 FHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](CCc2cnoc2)N1 963183215 OBGUIYZUIAAIMT-VXGBXAGGSA-N 374.746 3.620 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2ccc(F)c(OC3CCC3)c2)N1 962906199 XEVDPTJDGCLQQM-QFBILLFUSA-N 359.372 3.584 0 1 FHAF Cc1cc(Oc2ccccc2C)c2[nH]c(N3CCOCC3)cc(=O)c2c1 169330988 STJRWYLHJNKJBJ-UHFFFAOYSA-N 350.418 3.774 0 1 FHAF O=C1CS[C@H](c2cccc(Br)c2)N1c1ccccc1O 169342617 BPKURDWYCKTPOY-OAHLLOKOSA-N 350.237 3.933 0 1 FHAF O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(OC(F)(F)F)ccc21 201622423 DKWANKYUSVHXCJ-UHFFFAOYSA-N 366.320 3.915 0 1 FHAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1 775179 MAWMPCYKQBEDOR-MLGOLLRUSA-N 372.396 3.878 0 1 FHAF COCCCNC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 2939934 VWILZJXKURULQQ-UHFFFAOYSA-N 351.402 3.535 0 3 FHAF COc1ccc(C(=O)C[C@H](c2ccccc2)C2C(=O)CCCC2=O)cc1 4115366 XVZRJSTYULWUJW-GOSISDBHSA-N 350.414 3.990 0 3 FHAF COc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n1 4238447 VLNNUVBILJEEOZ-UHFFFAOYSA-N 364.792 3.505 0 1 FHAF COc1cc(Cl)ccc1O[C@@H](c1ccc(F)cc1)[C@@H]1CNCCO1 29049903 OGUCJMOATTVEME-ROUUACIJSA-N 351.805 3.596 0 1 FHAF in-vitro CC(C)CCN1C[C@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 66167105 POXPJZRJBSECAL-ALOPSCKCSA-N 355.309 3.947 0 1 FHAF COc1ccc2c(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1 28644598 ABIXMLNUHONAFT-UHFFFAOYSA-N 373.430 3.749 0 1 FHAF c1cc2c(cc1[C@@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)COC2 2356725074 IBRLTXWCVZGFHN-USNOLKROSA-N 352.386 3.521 0 1 FHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3C[C@@]2(C)[C@@H]1C 2356744516 NPRCUKSJBBVTGN-XJLXEZPNSA-N 362.466 3.927 0 1 FHAF C[C@H](NC[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@]3(C)[C@@H](O)[C@@H]21)c1ccccc1 504568111 YSIINEYFHDVBCW-PTZZKHCHSA-N 369.505 3.622 0 1 FHAF biogenic COc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1 72170865 NREDRUXWMYFCGM-UHFFFAOYSA-N 360.413 3.528 0 1 FHAF Cc1ccc2nc3c(c(N)c2c1)CC[C@@H]1[C@H]2CCCN4CCC[C@@H](CN31)[C@@H]24 1911571326 IUSYUOSXWVCYKQ-LZWBKRQXSA-N 362.521 3.751 0 1 FHAF Fc1ccc(NCn2nc(-c3ccc4c(c3)OCCO4)oc2=S)cc1 96935185 DUPWTNRXNIURGQ-UHFFFAOYSA-N 359.382 3.852 0 1 FHAF Cc1cc(NCc2ccccn2)n2ncc(-c3cccc(N(C)C)c3)c2n1 473165478 CPPFXOCCEVTTAR-UHFFFAOYSA-N 358.449 3.778 0 1 FHAF O=S(=O)(O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587020675 AIQWIANCGOXIPO-UHFFFAOYSA-N 371.443 3.524 0 1 FHAF CC[C@]1(c2cnccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587774952 OPFPEJAIHNTIOO-QLJPJBMISA-N 350.235 3.566 0 1 FHAF C[C@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175039 VOYRLYXDHQQKSC-MRXNPFEDSA-N 365.286 3.744 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(N)=O)cc1)CC2=O 587467651 BKVVODVRIQJGAR-HXUWFJFHSA-N 354.406 3.716 0 1 FHAF CC(C)(C)OC(=O)NC1(c2nc3cc(F)c(F)cc3[nH]2)CCC(=O)CC1 587234969 ZUWUHEVHLVEEGL-UHFFFAOYSA-N 365.380 3.704 0 1 FHAF CCN1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C1 587759200 FDSHUNIDMMEIFP-PRXAMGSTSA-N 355.295 3.679 0 1 FHAF COc1cc2c3c(c1)OC1(CCN(Cc4cccs4)CC1)[C@@H](C2)C3=O 587452001 PUKDUQVXRSWGOC-INIZCTEOSA-N 355.459 3.539 0 1 FHAF CC(C)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587582105 NYZHYIJVCQYYSM-WIYYLYMNSA-N 364.401 3.948 0 1 FHAF Cc1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2n1 587125485 REEPMZHLWSRSNM-UHFFFAOYSA-N 370.356 3.503 0 1 FHAF CCCCOC(=O)C1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(C)(C)O1 587410935 HMAUCKGIQLVTOD-NRFANRHFSA-N 373.449 3.707 0 1 FHAF CCOC(=O)C(C)(C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796971 LFYFHYTWFNMXAS-DYZYQPBXSA-N 372.278 3.927 0 1 FHAF CC(=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005925 ZUMSGVCYOUHKOE-UHFFFAOYSA-N 351.591 3.638 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cncn23)N1 587770004 HMDJUGAOQVMROO-BMLIUANNSA-N 360.230 3.860 0 1 FHAF Cn1nc(C(F)(F)F)c([C@H]2NCCc3c(Cl)cc(Cl)cc32)c1O 963108215 KXWQJSLMJHLVMN-NSHDSACASA-N 366.170 3.686 0 1 FHAF CCOC(=O)[C@@]1(CC(=O)C2CC2)NCCc2cc(-c3ccccc3)ccc21 962669870 SVLCWCUNPQNPJF-QHCPKHFHSA-N 363.457 3.627 0 1 FHAF CCOC(=O)[C@@]1(c2ccc(F)cc2)c2cc(OC)ccc2CCN1C(C)C 962092074 MFKIRVOGZQZUDQ-JOCHJYFZSA-N 371.452 3.908 0 1 FHAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@]1(F)COc2ncccc21 1772593858 NTLMQVKUQKGLEP-HNNXBMFYSA-N 374.721 3.627 0 1 FHAF O=C(NCC1(c2ccccc2)CCCCC1)[C@H]1CCOc2ncccc21 1772605988 LGKRSTOHNCFTGP-SFHVURJKSA-N 350.462 3.966 0 1 FHAF CCCC[C@H]1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21 1857769592 SNKAWMAERQERAY-CYBMUJFWSA-N 372.469 3.906 0 1 FHAF CN(C(=O)CSc1nncn2c1cc1sccc12)C1CCCCC1 6893746 UQFHZTYNMVFSEB-UHFFFAOYSA-N 360.508 3.827 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccc(Cl)cc1 100704162 JVFXFCFKGMROAI-COOUDCDJSA-N 361.785 3.585 0 1 FHAF CN1[C@@H]2CC[C@@H]1CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100870092 BBVCHKBRDIGQFY-NHCUHLMSSA-N 372.459 3.849 0 1 FHAF O=C(O[C@@H]1C[C@@H]2C[C@@H]1[C@H](n1cnc3c(Cl)ncnc31)C2)c1ccccc1 102971276 ATKMRHHZZZBAKX-NMFUWQPSSA-N 368.824 3.676 0 1 FHAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 101142510 UTYYWKJUOSJCDE-QZCPTFHJSA-N 356.381 3.806 0 1 FHAF C[C@H](C(=O)N1CCOCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27559086 FUWLJSGPXZGUDM-USXIJHARSA-N 373.518 3.744 0 1 FHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@]3(OC)C[C@@H]12 2356629229 VZDRWGCKZZURIO-QWFPDTJYSA-N 362.466 3.927 0 1 FHAF COc1cccc(C=CC(=O)OC[C@H]2CCCN3CCCC[C@@H]23)c1OC 2356733825 AMTPWEOSAFWDMM-MSOLQXFVSA-N 359.466 3.525 0 1 FHAF COc1cccc2c1CCC[C@H]2NCCN1CCN(C2CCCCC2)CC1 66078106 KNLPSXLZGRXFGB-JOCHJYFZSA-N 371.569 3.613 0 1 FHAF C[C@@H](Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccccc1Cl 40413562 VBUBJABPLJFWFA-HZPDHXFCSA-N 358.869 3.893 0 1 FHAF O=C1OC[C@@H](Cc2ccccc2)N1c1ccnc(NCc2ccccc2)n1 142138012 IWJUCVJHYULYOI-GOSISDBHSA-N 360.417 3.657 0 1 FHAF O=C(CNc1cccc(Cl)c1)Nc1nc2ccc3[nH]ncc3c2s1 142264739 YVDTZZBDFFEFKK-UHFFFAOYSA-N 357.826 3.877 0 1 FHAF CCOC(=O)c1cc2c(OC)cc(Br)c(OC)c2n1CC 299833095 NXEGRJTVANWZJH-UHFFFAOYSA-N 356.216 3.618 0 1 FHAF C[C@@H](Sc1ncccn1)c1nc2ccc(Br)c(O)c2[nH]1 586963015 WMQZNUXVSVTOPC-SSDOTTSWSA-N 351.229 3.674 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2ccccc2[C@@H]1C(=O)OC 587480800 PJTCNVNLKRLFON-DENIHFKCSA-N 366.413 3.562 0 1 FHAF O=C(O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587043883 WPNKEOSDQSBLEN-CQSZACIVSA-N 373.821 3.570 0 1 FHAF Cc1ncc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587774624 NBCBRIVXESRAEX-XYZCENFISA-N 364.262 3.793 0 1 FHAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(CO)cc3[nH]2)c1 587203951 RDEGKAAIFSAEKH-UHFFFAOYSA-N 366.421 3.572 0 1 FHAF CC[C@@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1C 587355904 GVZMMTXUGKNCRZ-NXXGWMNWSA-N 370.376 3.601 0 1 FHAF N=C(N)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587133546 RRNAYOGNRVFSEZ-UHFFFAOYSA-N 351.168 3.524 0 1 FHAF Fc1cc2[nH]c(Cc3csc4nccn34)nc2cc1Br 587041103 VJWCHMVRQLRQQR-UHFFFAOYSA-N 351.204 3.765 0 1 FHAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586910670 JCOJSJUFQVXGLL-GWCFXTLKSA-N 362.373 3.529 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C)O2 587395232 MBLPBQUKMXOIQQ-XCLFUZPHSA-N 360.454 3.558 0 1 FHAF N[C@H](Cc1nc2cc(F)cc(F)c2[nH]1)c1ccc(Br)cc1F 587142594 HFPMAGVQGNJGJM-GFCCVEGCSA-N 370.172 3.985 0 1 FHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Cl)ccnc4[nH]3)cc2N1 587127041 QHHCABVGIQGDLS-RCOVLWMOSA-N 356.739 3.782 0 1 FHAF CCCn1cnc2cc(-c3nc4cncnc4[nH]3)cc(Br)c21 587004497 UXIYOXLPLCHLFX-UHFFFAOYSA-N 357.215 3.542 0 1 FHAF N[C@H](Cc1cccc(Br)c1)c1nc2c(F)cnc(Cl)c2[nH]1 586984326 PUMJQXVYBODTSB-SNVBAGLBSA-N 369.625 3.755 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCO3 586916943 PXBIJCBQLHSHKU-RBZFPXEDSA-N 350.374 3.508 0 1 FHAF COc1ncc(C)cc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962721726 WGYPQBKKZQIRHY-IFXJQAMLSA-N 358.482 3.991 0 1 FHAF CC(C)(C)n1nc(CNS(=O)(=O)c2ccccc2)cc1-c1ccccc1 1772638948 MSROAWWQSGJYAK-UHFFFAOYSA-N 369.490 3.784 0 1 FHAF COc1ccc(N)cc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl 13673966 SWFNWXSBDKFFOR-UHFFFAOYSA-N 354.193 3.546 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1OC1C2CC3CC(C2)CC1C3 13861003 JUPMFMQSGHTGKC-KHDTYFSGSA-N 356.466 3.595 0 1 FHAF COc1ccc(Nc2nnc(SCc3csc(C)n3)[nH]2)cc1OC 14964259 PXCZJDIODUVODT-UHFFFAOYSA-N 363.468 3.623 0 1 FHAF CC(C)c1ccc(-c2cc(CN3CCOCC3)nn2[C@H]2CCCOC2)cc1 1857566368 FFYPIRITVJPOMR-NRFANRHFSA-N 369.509 3.857 0 1 FHAF COc1ccc([C@@H]2C=C(c3ccccc3)N3NC(=S)SC3=N2)cc1 1857757378 WUADWMADWDNZSM-HNNXBMFYSA-N 353.472 3.985 0 1 FHAF COc1ccc([C@@H](C)C(=O)c2ccc(N3CCOCC3)cc2)cc1OC 1857763401 WXXJMQHEDMUASV-OAHLLOKOSA-N 355.434 3.527 0 1 FHAF O=C1N[C@H](c2cncc(C#Cc3ccccn3)c2)[C@@H](c2ccc(F)cc2)O1 145684402 BQEDZOWUAYSDQU-WOJBJXKFSA-N 359.360 3.538 0 1 FHAF CC1CCC(C(=O)N[C@@H](C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)C(C)C)CC1 3895681 QKQYGRICRFJSOM-XDSWTATCSA-N 350.547 3.894 0 1 FHAF CN(C)Cc1ccccc1-c1nc(NC2CCNCC2)c2ccccc2n1 4265613 SGJYBSQIPRDVGJ-UHFFFAOYSA-N 361.493 3.522 0 1 FHAF O=C(NCCc1cccs1)[C@@H]1CC(c2c(Cl)cccc2Cl)=NO1 8829389 VAHTYYHFLFCXBS-AWEZNQCLSA-N 369.273 3.907 0 3 FHAF O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccccn1 66128906 UJJXLRBGIDDAHN-FQEVSTJZSA-N 350.805 3.584 0 1 FHAF Brc1ccccc1CCO[C@@H]1CCCC[C@@H]1N1CCOCC1 66033208 SUYFDUWRPFXUNN-ZWKOTPCHSA-N 368.315 3.652 0 1 FHAF CN1CCN(c2ccc(-c3cncc(-c4ccc(C(=O)O)cc4)c3)cc2)CC1 68244208 TXYLUVWSUVWRFA-UHFFFAOYSA-N 373.456 3.866 0 1 FHAF CCCCC(=O)N(Cc1ccco1)[C@H](CC)C(=O)NCc1ccccc1 2356863135 VDTYDDBXWCYUBR-LJQANCHMSA-N 356.466 3.893 0 1 FHAF CC1=C(C(=O)OC(C)C)[C@H](c2cnsc2)N2C(=N1)Nc1ccccc12 1911582156 IUFCKLBTUOXRKO-INIZCTEOSA-N 354.435 3.712 0 1 FHAF O=C([C@@H]1CNC[C@]12CCCc1ccccc12)N1CCC(c2ccccc2)CC1 73219497 FZLFVGHMYNWCLJ-ZCYQVOJMSA-N 374.528 3.886 0 1 FHAF NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3 223659228 UBINRVCAYVAYRB-UHFFFAOYSA-N 353.495 3.783 0 1 FHAF O=C(N[C@H]1CCc2cc(Cl)cc(Cl)c21)[C@@H]1COc2ncsc21 220865821 VTSGEBIIIVYRPF-KOLCDFICSA-N 355.246 3.730 0 1 FHAF CN(Cc1ccccc1)C(=O)c1cccc(Nc2ccccc2C(N)=O)c1 95579440 CZWCRBJNJNANNC-UHFFFAOYSA-N 359.429 3.801 0 1 FHAF COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1-c1ccnn1C 95589584 CEQQROWTDVDMQY-UHFFFAOYSA-N 362.385 3.878 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](NCCF)[C@H](CC(C)C)CN1CC2 253679877 YMERYCTWSIREBR-QRQLOZEOSA-N 364.505 3.597 0 1 FHAF CC1=N[C@H](CC(C)C)C(=O)N(Cc2ccncc2)c2cc(C(=O)O)ccc21 473150544 MFYNLCWSQFVOBF-GOSISDBHSA-N 365.433 3.550 0 1 FHAF CCOC(=O)Cc1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 587092090 LVYAECFMFYLMRR-UHFFFAOYSA-N 367.327 3.818 0 1 FHAF CS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587530747 GXAISHCIXGXDEJ-OAHLLOKOSA-N 362.472 3.737 0 1 FHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc3c(cc2[nH]1)OCO3 587150189 QIBYDGIHBSCKAE-UHFFFAOYSA-N 354.316 3.637 0 1 FHAF CCc1nn(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587765756 UARSAJZBWGAOPK-JDNHERCYSA-N 352.251 3.508 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cccn1 587860625 ZSSUFMJPNVAJGR-UHFFFAOYSA-N 365.220 3.793 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3CC(=O)C[C@@H]3C2)N1 587819211 UFHDVMCNGNEVTL-YUSALJHKSA-N 352.247 3.707 0 1 FHAF COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2c(C(=O)O)cccc12 587638095 TZXKTBLYYMUHLB-UHFFFAOYSA-N 364.279 3.734 0 1 FHAF CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397954 ZCKAFHWBDUTHNY-FQEVSTJZSA-N 356.422 3.745 0 1 FHAF N[C@H](Cc1nc2cccc(F)c2[nH]1)c1ccc(Br)cc1F 587142672 KMUQRJJRTJRDOY-GFCCVEGCSA-N 352.182 3.846 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cnn2C)N1 587697929 PQDIFAAWRVBVCI-WPPNPWJKSA-N 358.642 3.599 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCC(C)C)c2ccccc21 587402072 XBHBRLFYYKKSKL-QFIPXVFZSA-N 364.445 3.831 0 1 FHAF CCCn1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587761391 BAGJHCQEBUGQLZ-APPDUMDISA-N 366.278 3.992 0 1 FHAF CC[C@]1(C2CCNCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791572 GNBYEBNPFHVPSB-APPDUMDISA-N 355.295 3.727 0 1 FHAF CCOC(=O)c1ncccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518821 QNZILPIARCSICA-SFHVURJKSA-N 351.402 3.844 0 1 FHAF COC(=O)C[C@@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806026 IJQYIIFZPLYWJA-BTDLBPIBSA-N 370.262 3.681 0 1 FHAF Cc1ccc2c3c(c4c(nc13)[C@@H](CNC=O)CCC4)-c1ccccc1C2=O 586994830 AWGLRSRDWUBNFJ-CQSZACIVSA-N 356.425 3.921 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cncc3c(Cl)n[nH]c13)CC2=O 587458734 BAUBGHIQQFVPJJ-HNNXBMFYSA-N 357.797 3.976 0 1 FHAF CCc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962971049 SHSZEJAIAAMACE-YVEFUNNKSA-N 355.768 3.636 0 1 FHAF Cc1oc(-c2ccc(F)cc2)nc1COc1cccc(CN(O)C(N)=O)c1 13604022 QGNMULLJBQYQRM-UHFFFAOYSA-N 371.368 3.638 0 1 FHAF O=c1cc(N2CCOCC2)oc2c(/C=C/c3ccc(F)cc3)cccc12 13677223 XWIVVJVVUNSLMO-QPJJXVBHSA-N 351.377 3.939 0 1 FHAF COc1ccc([C@H]2NC(=S)N=C3c4ccc(OC)cc4CC[C@H]32)cc1 169691783 GJVVTFSEYJXNDO-ZWKOTPCHSA-N 352.459 3.685 0 1 FHAF C[C@@H]1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cccc(F)c1 168079195 WKOIRAKZQGBWCW-OAHLLOKOSA-N 365.408 3.646 0 1 FHAF CCCCS(=O)(=O)Nc1ccc(C)cc1Oc1ccc(C(=N)N)cc1 1857616109 YQPXNZRQANQEJD-UHFFFAOYSA-N 361.467 3.613 0 1 FHAF CC(C)(C)C1=Cc2cc3cc(C(C)(C)C)[nH]c(=O)c3cc2S(=O)(=O)N1 1623864 YSDKPERPANVMJB-UHFFFAOYSA-N 360.479 3.505 0 1 FHAF Cc1cc(C)n2c(Br)c(CN3C[C@@H](C)C[C@@H](C)C3)nc2n1 3354836 IBGJMJPNHBQYAM-PHIMTYICSA-N 351.292 3.587 0 3 FHAF COC(=O)c1cc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)ccc1O 59185402 DAVWLHPOIFVVRB-UHFFFAOYSA-N 373.364 3.643 0 1 FHAF CN1[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1C[C@H]2O 100878588 NRKFYDQWSIYFGJ-ZGXWSNOMSA-N 359.416 3.667 0 1 FHAF NCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101060898 DEBMLCCWWGKBJP-WKCHPHFGSA-N 371.475 3.598 0 1 FHAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117435841 PURKIMHKDQGDHR-WIYYLYMNSA-N 361.445 3.906 0 1 FHAF CCCOCCNc1nc(Oc2cccc(C(=N)N)c2)c(F)c(C)c1F 29489606 RKXWESJUZGMHJQ-UHFFFAOYSA-N 364.396 3.583 0 1 FHAF CCCc1c(OCc2ccc(C(=O)O)c(OC)c2)ccc(C(C)=O)c1O 27884355 PYVHAWTUZKKNOL-UHFFFAOYSA-N 358.390 3.833 0 1 FHAF CC1(C)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21 72316099 RNCHJFORGOZCAL-UHFFFAOYSA-N 359.422 3.786 0 1 FHAF COC1=C[C@H](OC)c2ccc3cc(OC)c(OC)c(OC)c3c2[C@@H]1OC 40836542 SWBYAKHCJSRELV-SCLBCKFNSA-N 360.406 3.785 0 1 FHAF COc1cc(CNc2cc(-c3cc(F)ccc3OC)ncn2)cc(OC)c1 82160319 SBWNMPWLQUDKIM-UHFFFAOYSA-N 369.396 3.921 0 1 FHAF Cc1ccccc1C(=O)N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199719786 TZCSBKFUAACUHZ-IBGZPJMESA-N 370.880 3.960 0 3 FHAF COc1ccc(CN2C[C@]3(CC(C)(C)Oc4ccccc43)OCC2=O)cc1 40380316 ARLZKIINUSWGPC-QFIPXVFZSA-N 367.445 3.511 0 1 FHAF COc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N 84711559 WLMKTTOWECUYBP-UHFFFAOYSA-N 357.479 3.702 0 1 FHAF c1cnc(O[C@H]2C[C@@H](Nc3nc4ccccc4[nH]3)C2)c(C2CCOCC2)c1 143273456 CNRUVGBQIUTQMP-WKILWMFISA-N 364.449 3.874 0 1 FHAF COc1ccc(N(C)C(=O)Oc2cccc3c2[C@@H](CCC(=O)O)CN3)cc1 95564612 QBFXFWZZCFBLJE-ZDUSSCGKSA-N 370.405 3.704 0 1 FHAF O=C1N(c2ccc3c(c2)OC(F)(F)O3)CCN1c1cnccc1C1CC1 144311452 QROZJPXISBDTPM-UHFFFAOYSA-N 359.332 3.727 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CCC(=O)N3C)CC2=O 587489931 XAYHLELOLRARHR-HXUWFJFHSA-N 365.429 3.960 0 1 FHAF COC(=O)C[C@@H]1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587811243 VZXVRGVTABOWFP-PSVSLLHZSA-N 370.262 3.681 0 1 FHAF CC(=O)OC[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587791179 IUZXOYRHKIWRLV-QGHHPUGFSA-N 372.278 3.927 0 1 FHAF CCOC(=O)[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587379872 YIYVSUGKSVMZCU-IBGZPJMESA-N 359.809 3.654 0 1 FHAF O=C(c1cncn1-c1ccc(F)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873760 LRTHUDKLFOPKRK-UHFFFAOYSA-N 364.311 3.808 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)nc2)N1 587703771 HJJPYJZFEDPZEC-UHLUBPPHSA-N 356.626 3.655 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cc(F)cc(F)c1)O2 587386679 WBWGMRSMTVMAFO-BBIZLLLXSA-N 358.388 3.791 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(CN1Cc3ccccc3C1=O)CC2=O 587484785 GDQJGLRVCMRTSB-QFIPXVFZSA-N 365.429 3.725 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(=O)OC)cc1OC 587872525 ZNIRKZGIFJJXGL-UHFFFAOYSA-N 370.380 3.872 0 1 FHAF COc1cnccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587774050 LCRUYMBUKATYJF-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCCCO 587862664 UWKPQWYSQKFRHW-UHFFFAOYSA-N 356.344 3.770 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ccnn23)N1 587798375 VFQBMQNXHBEOOR-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF COC(=O)[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807135 LCJLTTHVXKYYRH-QFYYESIMSA-N 358.251 3.537 0 1 FHAF COc1cc2c3c(c1)O[C@@H](C14CC(CC(=O)OC(C)(C)C)(C1)C4)[C@@H](C2)C3=O 587441457 UAKGFAHFCZMKIN-FUZJSHFXSA-N 370.445 3.713 0 1 FHAF CC(C)c1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(O)c(C(C)C)c1 586896498 MVRTVIIBKNJNGW-UHFFFAOYSA-N 373.478 3.830 0 1 FHAF C[C@@H]1C[C@]2(CCN1Cc1ccccc1)c1ccsc1CCN2C(N)=O 962721486 ZPXKMKCUVRDUPV-FOIQADDNSA-N 355.507 3.565 0 1 FHAF Cc1ccc([C@]2(c3ccccn3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963039591 YOQQYCOAIZIVPG-XDHUDOTRSA-N 369.468 3.735 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 962956920 ZBGTWFQYFAFOJZ-QKFKETGDSA-N 373.456 3.754 0 1 FHAF Nc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/c2cccnc2)cc1 1772655227 NSGMWZSPFMVPLB-KPKJPENVSA-N 358.401 3.568 0 1 FHAF O=C1O[C@H]2C=CC=CC2=C[C@@H]1C(=O)N1CCS[C@H]1c1ccccc1Cl 5100276 LRACAJQOFCOBDM-HFTRVMKXSA-N 373.861 3.508 0 1 FHAF O=C(NCc1cc2ccccc2[nH]1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12718751 HCCSVRVHQDHNPY-GOSISDBHSA-N 367.493 3.603 0 3 FHAF CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)O)[C@H]1c1ccccc1 1857550938 RSWHTAOHLOXLAB-HXUWFJFHSA-N 363.413 3.702 0 1 FHAF Cc1ccc2c(c1)N(C(=O)CCC(=O)NC1CCCCCC1)C[C@@H](C)O2 6797909 REILQEYGFIBQQG-MRXNPFEDSA-N 358.482 3.728 0 3 FHAF COc1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5ccccn5)C[C@@H]3N4)cc2)c1 100108504 NGRUIDFBRMTHCY-UBRQYEGLSA-N 371.484 3.697 0 1 FHAF CN1C[C@H](NC(=O)C(C)(C)C)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 100308036 QXOFQMUQMXGKGQ-AXAPSJFSSA-N 359.901 3.696 0 1 FHAF in-vitro CCCCCC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)CCCCC)[C@@H](C1)N2C 28525981 AZSYRDPIBWFYBO-BSDSXHPESA-N 353.503 3.837 0 1 FHAF CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc(F)cc1Cl 61895953 ZVOKDLYBYFUNAM-GOSISDBHSA-N 354.853 3.780 0 3 FHAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(CC2CCCC2)CC1 29462448 LEUSDHOREFKYFX-UHFFFAOYSA-N 365.905 3.772 0 1 FHAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)C=C3[C@@H]2[C@@H]1CC[C@H]3[C@@]1(C)CCCC(C)(C)C1 2356737009 JKXKYNJCCPSFNH-LVPCSYEESA-N 362.466 3.964 0 1 FHAF CCN1CCC[C@@H](c2c(-c3ccccc3)ncn2Cc2csc(N)n2)C1 65500140 CSVZPXFRQSNGLH-MRXNPFEDSA-N 367.522 3.836 0 1 FHAF O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(Cl)cc2)c1Cl 72176408 BSERHDVDNAHWNO-NEPJUHHUSA-N 355.221 3.682 0 1 FHAF C[C@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 71296635 QITUJUVRRULAQB-NYDSKATKSA-N 373.456 3.803 0 1 FHAF C[C@@H](NC[C@H]1NS(=O)(=O)c2ccccc21)c1cccc2ccccc12 72108914 PYPJLDXZSPEGIP-AUUYWEPGSA-N 352.459 3.524 0 1 FHAF CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCOC2 84605452 AGYKJMUYQFTAJK-UHFFFAOYSA-N 364.511 3.581 0 1 FHAF c1ccc(-c2cc3nc(-c4ccncc4)nc(N4CCNCC4)c3s2)cc1 223667143 VHNWUQHHLPJBMS-UHFFFAOYSA-N 373.485 3.830 0 1 FHAF O=C(N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1cccs1 199716091 IMXWUUYBZLDPDL-HNNXBMFYSA-N 362.882 3.713 0 3 FHAF Cc1ncccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 140116063 VVEZUWRDOPUAKM-UHFFFAOYSA-N 353.429 3.999 0 1 FHAF COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1[C@@H]2C)OCO4 31519589 LPKAAKHLNGEZJC-MPBGBICISA-N 353.418 3.649 0 1 FHAF biogenic COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)on2)cc1OC 621429904 GSUSYZBVHOZDMH-ZDUSSCGKSA-N 352.390 3.850 0 1 FHAF CCO[C@@H]1C[C@@]23CC(OC)=CC[C@@]2(CCN3C)c2c1ccc(OC)c2O 85997695 CAOVHEBNWTUWCP-UIFIKXQLSA-N 359.466 3.518 0 1 FHAF biogenic COc1cc(O)ccc1[C@H]1CC(=O)c2c(O)cc3c(c2O1)C=CC(C)(C)O3 43071957 QYFQIQNDWGAVKJ-QGZVFWFLSA-N 368.385 3.997 0 1 FHAF biogenic CCc1cnc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)nc1 653852832 PPXUWNRZEJBIOV-UHFFFAOYSA-N 369.812 3.714 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)nc2)N1 587708056 XPKMGMRTSKSPJH-UHLUBPPHSA-N 356.626 3.655 0 1 FHAF O=C1c2ccc(O)cc2OC2(CCC(CO)CC2)[C@@H]1c1ccc(F)cc1 587357232 TTWJEPWRSGRGLU-WLWLVNLQSA-N 356.393 3.812 0 1 FHAF CCOC(=O)C[C@]1(CCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399160 IPDCBZSPZJPDHE-QFIPXVFZSA-N 367.445 3.867 0 1 FHAF O=C1CCC[C@@H](c2nc3cccc(I)c3[nH]2)CC1 586884447 NDZKGZYWFXUOMB-SECBINFHSA-N 354.191 3.784 0 1 FHAF CCC[C@]1(CC(=O)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587522242 KLVMGAUHHDSQHV-OAQYLSRUSA-N 358.434 3.592 0 1 FHAF Cc1cc(C)n(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587584053 YVULIVRRQHUTHL-PKOBYXMFSA-N 364.401 3.626 0 1 FHAF Cc1cc(C)n(C[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587767367 YKZPUSHZLMFHGF-LKFCYVNXSA-N 352.251 3.677 0 1 FHAF CCCn1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587758727 XXWRZGSGUFALNB-HWPZZCPQSA-N 352.251 3.818 0 1 FHAF CCOc1ccccc1[C@](N)(c1nc2cccc(OC)c2[nH]1)C(F)(F)F 587093614 WCFWSOITNNVOLB-KRWDZBQOSA-N 365.355 3.735 0 1 FHAF COc1cccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587126522 YCBXJNMQTLNJIT-QPUJVOFHSA-N 351.332 3.743 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)N[C@@H]3CCC[C@H]3c3ccccc3)ncc12 1772589807 UYUAJOOGROYKAK-GOEBONIOSA-N 364.453 3.848 0 1 FHAF Cc1cc(Nc2cc(Br)cc(OCC(C)C)c2)nc(N)n1 1772652288 HBLLCTDETOFLGF-UHFFFAOYSA-N 351.248 3.908 0 1 FHAF COc1ccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)cc1 13587987 HSNRGCAFLLPJJV-KSFYIVLOSA-N 352.478 3.594 0 1 FHAF O=C1O[C@@H](Cn2ccnc2CF)CC1(c1ccccc1)c1ccccc1 13651109 SBJVRLRVAOWNIO-GOSISDBHSA-N 350.393 3.654 0 1 FHAF CC(=O)c1ccc([C@@H]2C=C[C@H](Oc3ccc(F)cc3C)[C@H](CO)O2)cc1 13783159 ORMRPUROBPYGCF-ACRUOGEOSA-N 356.393 3.773 0 1 FHAF O=C1CC[C@H](O)CCN1[C@H](CSc1ccccc1)Cc1ccccc1 15937144 URELRDUXXJETKY-OALUTQOASA-N 355.503 3.763 0 3 FHAF C[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1)C1(C)CC1 166377723 FXFDUCDFYZIJOL-CQSZACIVSA-N 364.449 3.548 0 1 FHAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(-c3ccccc3)ccc1-2 209698714 YDYPOZXDIRYYDL-IBGZPJMESA-N 374.440 3.691 0 1 FHAF COc1ccc([C@@H]2SCC(=O)N2c2ccc3oc(=O)ccc3c2)cc1 1857606451 SIVGBONSDGNUGI-IBGZPJMESA-N 353.399 3.580 0 1 FHAF COc1ccc2sc3c(c2c1)N(Cc1ccc(C)cc1)CCNC3=O 3647232 YIEDEQLVJYSUEZ-UHFFFAOYSA-N 352.459 3.968 0 1 FHAF COc1cc([C@H](O)[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)cc(O)c1OC 2356395985 ZNOVVYJXQWKCSW-VFGMZZLHSA-N 374.433 3.686 0 1 FHAF CC(=O)c1ccc(O[C@H]2[C@@H](O)CO[C@@H]2/C=C/c2ccc(Cl)cc2)cc1 7992583 XEJQDFIMBZGRCD-QACVJQSXSA-N 358.821 3.763 0 1 FHAF COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3ncnn32)c1OC(F)F 104060084 KUVQDUJMHDXTHK-CQSZACIVSA-N 362.336 3.560 0 1 FHAF CC(C)=CC[C@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27884258 WOPYURXQWMHYFG-FPPGBKCQSA-N 354.487 3.691 0 1 FHAF CN1CCN(C[C@@H](Nc2nc3cc(Cl)ccc3o2)c2ccccc2)CC1 28007062 UYLGWHVWJGRQIE-GOSISDBHSA-N 370.884 3.882 0 1 FHAF CCN(CC)CCOC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 27715872 DTFUWYFHMXGYAL-UHFFFAOYSA-N 357.237 3.746 0 1 FHAF CC(=CCO)CCC=C(C)C(=O)OCC=C(C)CCC=C(C)C(=O)O 2356642678 QOEZNNVCUUKXPK-UHFFFAOYSA-N 350.455 3.952 0 1 FHAF O=C(O)c1cc2cc(Br)cc(OCCC3CCNCC3)c2o1 71294191 SIJKOQWJVVMYBK-UHFFFAOYSA-N 368.227 3.662 0 1 FHAF CSc1cccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2ccccc2)c1 45498498 UMIVGAIVAKLKCS-DLBZAZTESA-N 370.518 3.961 0 1 FHAF COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(O)cc34)[C@@H]1S2 220444643 HKRXEFQDOZGSKH-IBGZPJMESA-N 352.415 3.685 0 1 FHAF CC[C@H](C)c1nc2nc(N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc2nc1O 299884574 UBKAPPMRBPLXAW-IQUTYRLHSA-N 366.465 3.802 0 1 FHAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)[C@@H](C)F)[nH]c4c3)o2)cc1 587122614 FQMADWOBGHUCGA-HWPZZCPQSA-N 367.384 3.646 0 1 FHAF COc1cnccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587771081 BJRDNBGMWNYFOJ-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF COc1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cc1OC 587787279 MPYLXSFTXCWSTC-UHFFFAOYSA-N 354.406 3.713 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)O)o2)N1 587825913 BYMHOHYOYBEMIT-VPTHRUTESA-N 368.202 3.677 0 1 FHAF COc1ccc2c(c1OC)CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587403759 QLYDGWFQXJNSSY-NRFANRHFSA-N 353.418 3.791 0 1 FHAF C[C@@H](Oc1ccccc1Cl)C(=O)n1ncc2ccc(Cl)cc2c1=O 587650665 BFVUXVMVROTTSZ-SNVBAGLBSA-N 363.200 3.811 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3c(n2)SCC3)N1 587854319 DIRSQBKTFYKMGT-CLAHSXSESA-N 368.275 3.514 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)o2)N1 587757009 UAGSWGWEXWUHFJ-ABKXIKBNSA-N 353.235 3.871 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(-c3cnccn3)nc1C)O2 587415200 YIFVCJRYLVIVDR-LJQANCHMSA-N 366.446 3.680 0 1 FHAF COc1ccc(-c2nc3cncc(C)c3[nH]2)c(I)c1 587179917 JATMDQFFBJCILG-UHFFFAOYSA-N 365.174 3.547 0 1 FHAF COc1cc(OC)c2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2c1 587117522 SZPBFWLGIQYCMI-UHFFFAOYSA-N 360.723 3.653 0 1 FHAF C[C@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(N)=O 587511429 PXRVFPDRCKMVEB-RBZFPXEDSA-N 365.429 3.525 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(CO)c2)N1 587826687 LIVUGKXSRWPZBM-BBATYDOGSA-N 364.258 3.878 0 1 FHAF C[C@@H](CC(=O)O)[C@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962960292 SSAMCHXVLXOQHV-SJCJKPOMSA-N 371.399 3.683 0 1 FHAF COc1ccc2c(c1OC)[C@@H](c1cccn1C1CC1)NCC21CCOCC1 963183441 DYSZUQBADMPZCW-HXUWFJFHSA-N 368.477 3.581 0 1 FHAF COc1cc2c(cc1OC)[C@@H](c1cccc3cn(C)nc13)N(C)[C@@H](C)C2 962635943 VEQVTZDSAGAUSR-YEJXKQKISA-N 351.450 3.556 0 1 FHAF CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 13589433 WPAWBLWVSDBOPB-HOCLYGCPSA-N 362.470 3.516 0 1 FHAF CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 13589432 WPAWBLWVSDBOPB-ZBFHGGJFSA-N 362.470 3.516 0 1 FHAF CC(C)C[C@@H]1C(=O)N[C@H](C)CN1C(=O)c1ccc(-c2ccccc2)cc1 1857613717 NRQXXLICFHQCOS-OXQOHEQNSA-N 350.462 3.729 0 1 FHAF CC[C@H](C)NC(=O)c1c(NC(=O)c2ccc(F)cc2)nc2ccc(C)cn12 1857616944 PLZHKLISIKFAPU-ZDUSSCGKSA-N 368.412 3.562 0 1 FHAF Cc1cc(=O)c(Oc2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 602527 RQVVYXPUTAFVJV-UHFFFAOYSA-N 374.389 3.950 0 1 FHAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)[C@H](O)C(C)(C)O2 3807492 KMBXNPJEKNKOQQ-ROUUACIJSA-N 373.836 3.546 0 1 FHAF O=C(c1cccc(F)c1)N1CCC2(CCCN(c3ccccn3)C2)CC1 3955716 DRDGMKZAKNXKQA-UHFFFAOYSA-N 353.441 3.744 0 1 FHAF COC(=O)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 7992660 WTDZSHPUDUFDSK-BBTUJRGHSA-N 353.418 3.853 0 1 FHAF O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc(F)cc2)C(=O)C1 59280302 YKSNLIZJYFVFAK-UHFFFAOYSA-N 367.207 3.622 0 1 FHAF CCCCNc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](CN)CC2)n1 103242262 AGYRCBTVZCTMOP-IYBDPMFKSA-N 354.502 3.680 0 1 FHAF COc1ccc(CNc2ncnc3c2nc(-c2cccc(F)c2)n3C)cc1 58602921 ODPJMAUFNCMFPH-UHFFFAOYSA-N 363.396 3.790 0 1 FHAF CN(C[C@@H]1CCCO1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 66148027 WXVRKSILYXOHSJ-INIZCTEOSA-N 363.417 3.641 0 1 FHAF CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)c2cccnc2)C=C1C 2356311314 FAQNBRHHZXZATJ-OTWHNJEPSA-N 358.482 3.619 0 1 FHAF COc1cc(NCCCCCCN2CCN(C)CC2)c2nccc(C)c2c1 29568822 DTIHZKKWJZEAHP-UHFFFAOYSA-N 370.541 3.772 0 1 FHAF CN1CCC(N2CCc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 28376519 RKMQUAXCYSFRJS-UHFFFAOYSA-N 353.441 3.535 0 1 FHAF COC(=O)[C@@]12CCC[C@]3(CO[C@@H]1OC)[C@@H]2CC[C@@H]1[C@@H](C)c2ccoc2C[C@H]13 2356649588 QWJSPZRTYDZCNG-KRXQUIKCSA-N 374.477 3.914 0 1 FHAF CCNC(=O)c1cc2c(-c3ccc(Cl)cc3Cl)nc(N)nc2s1 36966108 YPEOXUOUTBMBCX-UHFFFAOYSA-N 367.261 3.997 0 1 FHAF in-vivo CCN(CC)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 36093377 GMDGMGSBGXSQLX-UHFFFAOYSA-N 356.491 3.763 0 1 FHAF CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(OC)nc3C)ccnc21 38543787 JYPIVQHHKSVDKP-QGZVFWFLSA-N 364.449 3.840 0 1 FHAF CCCCCN1C(=O)[C@@](OC)(c2ccc3c(c2)OCO3)c2ccccc21 71341636 UIXKNPRZXZCNHB-OAQYLSRUSA-N 353.418 3.842 0 1 FHAF CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2)c1 45369751 GRVIRAHUADMZRK-UHFFFAOYSA-N 366.527 3.853 0 1 FHAF O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CCCc2ncsc21 220887411 BHNCFDHYGNIZED-JTQLQIEISA-N 374.359 3.917 0 1 FHAF CN1[C@H]2CC[C@@H]1CC(NC1CCN(Cc3ccc(Cl)cc3F)CC1)C2 40395781 FPGDJTQXXKYMSU-YQQQUEKLSA-N 365.924 3.658 0 1 FHAF CCCCCC(=O)CC/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)O 87528768 FPRPRBFSKMFXRV-JWVNNVTNSA-N 352.471 3.561 0 1 FHAF in-vitro COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CNC(C)(C)CO3)cc12 226039276 VUCYVFOSXMLKPR-GOSISDBHSA-N 355.413 3.817 0 1 FHAF C[C@H]1c2[nH]c3ccc(-c4ccccc4)cc3c2C[C@@H]2C(=O)N(C)C(=S)N12 95586843 YJQHHOSEFXSHJY-KPZWWZAWSA-N 361.470 3.880 0 1 FHAF CC(C)CC(=O)NC1=NN(C(=O)CC(C)C)[C@](C)(c2ccccc2)S1 299837496 OSSVSMDGQRWKKE-IBGZPJMESA-N 361.511 3.914 0 1 FHAF COc1nn2cc(-c3cc4c(C(F)(F)F)cc(C)nc4o3)nc2s1 653676813 FRTTVUFSGIGSRY-UHFFFAOYSA-N 354.313 3.935 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(C(=O)O)ccc31)CC2=O 587487720 HVGGWZPKUDICTQ-OAQYLSRUSA-N 352.386 3.850 0 1 FHAF C[C@@]1(C(=O)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602939 LREDZRUGHWQBHL-XMSQKQJNSA-N 360.365 3.995 0 1 FHAF C=Cn1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587763594 KJBDEBVZFMTFQF-JDNHERCYSA-N 350.235 3.817 0 1 FHAF CCOc1cc(/C=C/c2nc3ccc(C(N)=O)cc3[nH]2)ccc1OC(F)F 587129554 DPSZVCYREUUWRX-XBXARRHUSA-N 373.359 3.832 0 1 FHAF COCc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587768548 DGVXQBBZPQBISQ-QGHHPUGFSA-N 365.246 3.753 0 1 FHAF CC[C@]1([C@@H]2CCCNC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800052 ZTBSVSDNSDICLX-XTQGRXLLSA-N 355.295 3.727 0 1 FHAF CN(C)CCCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569230 FYFNBPKFBJUXGG-GHTZIAJQSA-N 355.434 3.844 0 1 FHAF O=Cc1sccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615870 ZLXIYAYXGUUWFT-QFBILLFUSA-N 352.367 3.969 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC)c(F)cc2[nH]1 586918395 XYSATYVWPXYYSN-RNODOKPDSA-N 354.381 3.927 0 1 FHAF Cc1nc2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc2cc1Br 587163211 IOSZKVDJXWGJAM-CQSZACIVSA-N 363.234 3.819 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(Cl)cnn1CC 587871545 ZFIZIZTZWIGCQD-UHFFFAOYSA-N 362.792 3.646 0 1 FHAF CCOC(=O)c1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167602 WTHQYDQYIBTACH-MDZDMXLPSA-N 353.353 3.531 0 1 FHAF Cc1ccc(-c2nc(-c3nc4c(O)nc(S)nc4[nH]3)c(C)s2)cc1 587013512 YWQNATRTUUTIPQ-UHFFFAOYSA-N 355.448 3.755 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)nc1)[C@@H](C2)C3=O 587418057 RKGJQHGBBLRWNO-SJCJKPOMSA-N 360.207 3.516 0 1 FHAF CCCc1sc(=N)[nH]c1-c1nc2ccc(Br)c(F)c2[nH]1 587012563 CFSFSAMCHVFBKY-UHFFFAOYSA-N 355.236 3.953 0 1 FHAF Cc1ccc(N)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660741 SJGMYUYNHWRFLX-UHFFFAOYSA-N 373.387 3.782 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](Cc1cccc(F)c1)(C(=O)O)CC2=O 587469195 XOQVWMWRTZBGFH-HXUWFJFHSA-N 358.365 3.515 0 1 FHAF COc1ccc2c(c1OC)[C@H](c1cn3ccc(C)cc3n1)N(C)[C@@H](C)C2 962629709 PUAONHGHLPFGOF-XOBRGWDASA-N 351.450 3.626 0 1 FHAF COc1ccc2c(c1OC)[C@@](CCN(C)C)(c1cccs1)N(C)[C@H](C)C2 962626907 GHNSLWILRQOOTK-QVKFZJNVSA-N 374.550 3.837 0 1 FHAF CN(C(=O)c1cccc(-n2c(O)c3c(c2O)CC=CC3)c1)C1CCCCC1 169687484 ZVTRSEKWEKKNAS-UHFFFAOYSA-N 366.461 3.948 0 1 FHAF COc1cc(-c2[nH]c(=N)[nH]c2-c2ccc3[nH]ccc3c2)cc(OC)c1OC 1857581775 DUGPZGCCELOAKU-UHFFFAOYSA-N 364.405 3.663 0 1 FHAF O=C(Nc1cc(F)cc(F)c1)c1cn2cc(-c3ccccn3)ccc2n1 148501307 BSORSATXIUQQMR-UHFFFAOYSA-N 350.328 3.927 0 1 FHAF COc1c2c(cc3cc(O)c4c(c13)NCc1c-4ccc3c1OCO3)OCO2 2356329232 YRNZUSFZAMIXBD-UHFFFAOYSA-N 365.341 3.604 0 1 FHAF Cc1sc2c(c1C)CSC(C(=O)NCc1ccc3c(c1)OCO3)=C2 20557302 PKMMQWUOGOIPPI-UHFFFAOYSA-N 359.472 3.998 0 1 FHAF Cc1nc2sc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)n2n1 27718884 DLPBGDZVEDZHMK-UHFFFAOYSA-N 369.471 3.837 0 1 FHAF CCN(CC)CCCN1C(=O)CS[C@H]1C12CC3CC(CC(C3)C1)C2 28713232 DYMVOTRZSWBAMA-DRZUXFPHSA-N 350.572 3.836 0 1 FHAF CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)NCc2cccs2)cc1 61927959 FJOFDQDYKUXWNE-NRFANRHFSA-N 370.518 3.967 0 3 FHAF Cc1cc(NC(=O)[C@@H]2C(=O)N3c4ccccc4Cc4cccc2c43)sn1 26170436 DZYHKOIYXBPCOS-QGZVFWFLSA-N 361.426 3.756 0 1 FHAF CC=C([C@@H]1[C@H]2OC(=O)C[C@H]1[C@H](OC(C)=O)O2)[C@@H]1C[C@@]12CCCC(C)(C)C2 2356826834 HKRWPAQMYDTSAL-YLHFPTHOSA-N 362.466 3.964 0 1 FHAF Cn1nc(C2CCCC2)cc1[C@@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccco1 2356839820 LYOLGCTZKPMWLW-NLWGTHIKSA-N 368.525 3.638 0 1 FHAF CCOC(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3OCC)n2)C1 72185619 JAHYAWLVSRQKOV-OAHLLOKOSA-N 358.438 3.515 0 1 FHAF CC(C)CCN1C[C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 254071117 POXPJZRJBSECAL-OSYLJGHBSA-N 355.309 3.947 0 1 FHAF CC1(C)C=Cc2c(c(O)cc3c2OC[C@H](c2cc4c(cc2O)OCO4)C3)O1 32204441 HBYGTSDXCJSMRY-GFCCVEGCSA-N 368.385 3.729 0 1 FHAF biogenic C[C@@H](C(N)=O)N1CCCC[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 45191765 DCHBITHJABIYOA-MGPUTAFESA-N 356.441 3.806 0 1 FHAF biogenic COc1ccc2c(c1)CC[C@@H](Nc1cc(C)nc3nc(C(C)(F)F)nn13)C2 2382220814 AYSPOVSUNXRZPV-CQSZACIVSA-N 373.407 3.522 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587232068 SJJXRLCRPHSNJB-QWRGUYRKSA-N 370.280 3.906 0 1 FHAF Sc1nnc(SCc2nc3ccc(Br)cc3[nH]2)s1 587025306 LBBGJWGEBHVYSQ-UHFFFAOYSA-N 359.299 3.758 0 1 FHAF CCOC(=O)[C@]1(c2ccncc2)CCc2nc3cccc4c3c(c2C1)CC4 587213495 WNRYZVHOYYFPFI-HSZRJFAPSA-N 358.441 3.718 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn3c(Br)cccc3n1)O2 587372153 JUZFTTGRPPNPKX-CQSZACIVSA-N 372.222 3.694 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)c(C)ccc3[nH]2)cc1 586937922 HKOSNLCHFWDMPV-ZDUSSCGKSA-N 357.479 3.924 0 1 FHAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccnc(Br)c3[nH]2)cc1 587935696 IMJIDXGSCMDHSQ-XPTSAGLGSA-N 362.227 3.566 0 1 FHAF CCN1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342377 DQXQXNLZUYJFKF-PZJWPPBQSA-N 355.409 3.745 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(O)cc(O)c2)N1 587826330 AHEOYORHLXLHPQ-XYZCENFISA-N 366.230 3.797 0 1 FHAF Cc1[nH]c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)O 587794395 UQPHRIWGHNHFAJ-MLXNANBUSA-N 367.218 3.547 0 1 FHAF NS(=O)(=O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587056201 ZVCHIFAHUPETDK-DAXSKMNVSA-N 368.245 3.688 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(CC3CC3)n2)N1 587764769 QUUHSMWPFOIZNZ-DYZYQPBXSA-N 364.262 3.818 0 1 FHAF COc1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cc1F 587951467 WBKIKUWTQDZMDO-CJKMCJCZSA-N 358.413 3.864 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 587235056 DWANRBDYJNYITL-XJKCOSOUSA-N 373.457 3.838 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3[nH]c(O)cc32)N1 587801441 GJKXTGBOEUPAFU-XLFHBGCDSA-N 365.246 3.736 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)OC(F)(F)O4)[C@@H](C2)C3=O 587421938 BDUKQLGUIXUFNP-KPZWWZAWSA-N 360.312 3.680 0 1 FHAF Fc1ccc(-c2cnn(Cc3nc4c(Br)ccnc4[nH]3)c2)cc1 587164786 ADPXRTHQGPJFEI-UHFFFAOYSA-N 372.201 3.771 0 1 FHAF COC(=O)C[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993637 YUFFNYMFRXLIMN-LLVKDONJSA-N 359.381 3.745 0 1 FHAF COc1cccc(Cc2nc3cccc(I)c3[nH]2)c1 587932268 RRDOQKBASYJVIA-UHFFFAOYSA-N 364.186 3.767 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(F)(F)F)N1 587707066 SJSHNYWKBGLISJ-UHLUBPPHSA-N 368.168 3.859 0 1 FHAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(F)c(F)cc2[nH]1 586984043 MQKPKLIBYJCKQC-LBPRGKRZSA-N 352.182 3.846 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc3c(c1)OCCO3)O2 587408707 NXIHRPJRYXCVLL-NRFANRHFSA-N 353.418 3.705 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587442378 JAKIZVLSIOKOBS-BTYIYWSLSA-N 373.449 3.602 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)c2ccccc2-c2ccc(O)cc21 962935463 ZRYMWJLBXMPCHJ-DEOSSOPVSA-N 370.452 3.512 0 1 FHAF Cc1ccc(CN2CC[C@H](N3CCC[C@@H](c4ccc(O)cc4)C3)C2=O)cc1 1772609030 IOZDYULPBYTTHU-IRLDBZIGSA-N 364.489 3.681 0 1 FHAF O=C(Nc1ccn2cc(-c3ccc(F)c(F)c3)nc2c1)c1cccnc1 1772586619 ZPIUHAPFUADANG-UHFFFAOYSA-N 350.328 3.927 0 1 FHAF COc1cc(-c2oc3c(OC)cc(CCCO)cc3c2C=O)ccc1O 12405921 PHJUPBDWRVMJQA-UHFFFAOYSA-N 356.374 3.560 0 1 FHAF biogenic,in-vitro Cc1ccc(SC[C@H](Cc2ccccc2)N2CCN(C)CCC2=O)cc1 13661800 HPCVDNKMWCLBJS-FQEVSTJZSA-N 368.546 3.863 0 3 FHAF CC1=NC(=O)N[C@H](c2ccc(OC(C)C)cc2)[C@H]1C(=O)OC1CCCC1 169719426 IADSWZBNUQKRFR-ZWKOTPCHSA-N 358.438 3.801 0 1 FHAF COc1cc(C)c(Cl)cc1-c1cn2ccc(N3CCOCC3)cc2n1 1857589356 AZCOKDOUSGHCPA-UHFFFAOYSA-N 357.841 3.808 0 1 FHAF COc1cc(-c2csc(CCn3nc(C)cc3C)n2)cc(OC)c1OC 3306818 VLLJXEKXIRAEQJ-UHFFFAOYSA-N 373.478 3.892 0 3 FHAF CCN1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 4958161 AVLWGTBFFFCBAL-UHFFFAOYSA-N 357.885 3.545 0 3 FHAF COc1cc(CNC(=N)c2ccc(OC(F)(F)F)cc2)cc(OC)c1 103259121 AFZVRMYLDGAMAC-UHFFFAOYSA-N 354.328 3.718 0 1 FHAF CN(C)C[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 53243946 MEQYKNCRJCYDDT-GOSISDBHSA-N 356.535 3.742 0 1 FHAF CN(C)[C@@H]1CCN(c2ccc(NC(=O)NCCCc3ccccc3)cc2)C1 28126945 MKWGPLWTVPTPPD-OAQYLSRUSA-N 366.509 3.581 0 1 FHAF c1ccc2c(c1)nnn2Cc1nc2ccccc2n1CCN1CCCCCC1 26271090 SALHDSGEHPEQGZ-UHFFFAOYSA-N 374.492 3.705 0 1 FHAF CC[C@H]1C[C@H]2CN3Cc4c([nH]c5ccc(OC)cc45)[C@@](OC(C)=O)(C2)[C@H]1C3 2356540369 VOXIUXZAOFEFBL-SXGZUBKSSA-N 368.477 3.817 0 1 FHAF CC=C(COC(C)=O)C(=O)O[C@@H](C)c1ccc2c(c1)C(=O)CC(C)(C)O2 2356673212 JDGHCZZJPFSXSA-LBPRGKRZSA-N 360.406 3.544 0 1 FHAF O[C@H](CCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)cc1 27187142 BBNORVNMDRYYOB-LJQANCHMSA-N 369.440 3.603 0 1 FHAF Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)nc1 1911584405 PDAOIFFWCOJIQP-MRXNPFEDSA-N 350.397 3.522 0 1 FHAF NC(=S)N1N=C(c2cccc(Br)c2)C[C@H]1c1ccccc1 45498095 SOXWCTNNGLPKDC-HNNXBMFYSA-N 360.280 3.844 0 1 FHAF O=C(CCCCc1cccs1)Nc1ccc2c(c1)C[C@@H](C(=O)O)OC2 43070734 ZMOKTZFOXVEKIW-KRWDZBQOSA-N 359.447 3.626 0 1 FHAF COCCNc1nccc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc12 82081878 STUWHAQPMVSDGD-UHFFFAOYSA-N 352.316 3.582 0 1 FHAF CN(C(=O)c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccccc1F 40394601 BWLHARFSGUIYFJ-IBGZPJMESA-N 354.425 3.698 0 1 FHAF NC(=O)c1c(F)ccc(OCc2nc3c(Cl)cccc3s2)c1F 49071875 DJFNHBOOMSGIHZ-UHFFFAOYSA-N 354.765 3.906 0 1 FHAF COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@@H]1c1ccccc1 95599865 SLBKPGZOWIJAKX-GOSISDBHSA-N 370.449 3.704 0 3 FHAF C[C@@H](C(N)=O)N1CCCC[C@H]1c1ccc(OCc2cccc(F)c2)cc1 45191768 DCHBITHJABIYOA-YWZLYKJASA-N 356.441 3.806 0 1 FHAF biogenic COc1ccc2nc(OC)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c1 587394566 HMTDFXUDNABQQP-LJQANCHMSA-N 364.401 3.849 0 1 FHAF C[C@]1(c2cc(N)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554296 CYQRUJGLDPWBGH-GHTZIAJQSA-N 365.360 3.991 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2c(C(F)(F)F)cccc2[nH]1 586967440 XNLOOZQUWIDZAJ-UHFFFAOYSA-N 353.325 3.820 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1C1CCN(Cc2ccccc2)CC1 587653698 DPETVKPPAHYUNJ-UHFFFAOYSA-N 353.853 3.887 0 1 FHAF C[C@]1(CCN2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585134 CLXUHRAORNMGGF-DENIHFKCSA-N 367.445 3.989 0 1 FHAF O=C(O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587043882 WPNKEOSDQSBLEN-AWEZNQCLSA-N 373.821 3.570 0 1 FHAF COc1cc2c3c(c1)O[C@@](C1CCC1)([C@@H](C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587441907 VAJPUFWGZQIURV-KFVPTDEHSA-N 372.461 3.959 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c[nH]c(C(=O)O)c1)O2 587396549 LTRXZMJUQPPFKU-NRFANRHFSA-N 362.385 3.513 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CC3(CC3)C2)N1 587818608 RMBMQRMCZHKGNY-BMLIUANNSA-N 352.247 3.851 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc3ncccc3c2[nH]1)C(C)C 586933623 UNNIDJAMMSBVNB-MRXNPFEDSA-N 360.483 3.528 0 1 FHAF Cc1c(F)cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1F 587132312 AAZFLGMGXDKKMI-UHFFFAOYSA-N 367.359 3.876 0 1 FHAF CC[C@]1([C@H]2CCCNC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800051 ZTBSVSDNSDICLX-PLQHRBFRSA-N 355.295 3.727 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cn(C)nc1-c1ccc(F)cc1)[C@@H](C2)C3=O 587429827 XFNGQEMPBABJKM-BTYIYWSLSA-N 364.376 3.724 0 1 FHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587599515 GJBRATGMORZBSJ-GHTZIAJQSA-N 364.353 3.809 0 1 FHAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3cccc(OC)c3)nc21 5841934 BJAUUCPOEAUGFQ-UHFFFAOYSA-N 360.417 3.900 0 1 FHAF C[C@@H](CCN1CCC[C@@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc12 13531243 XZYWRBPKJXHPIN-MSOLQXFVSA-N 374.550 3.971 0 1 FHAF COc1ccc(Nc2ncc3c(n2)-c2cccnc2SC3)cc1OC 1857563020 HGJVACKDUMHHAW-UHFFFAOYSA-N 352.419 3.905 0 1 FHAF COc1ccc([C@@H](O)CCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1 1857629289 VVENAQLZXHGALL-FQEVSTJZSA-N 371.477 3.503 0 1 FHAF COC(=O)c1ccc(CC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1 473170851 RYUWXCIDLXAXNW-INIZCTEOSA-N 363.454 3.778 0 1 FHAF biogenic CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2CCCC2)c(=O)[nH]c1=O 6425234 LWIHHOPOBKUYNO-UHFFFAOYSA-N 368.477 3.527 0 1 FHAF Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(CNC3CC3)n1-2 27329156 BHIMLCDGUSEEIE-UHFFFAOYSA-N 363.852 3.524 0 1 FHAF Fc1cccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)c1 26495189 PEWBTOFKPZRHPD-UHFFFAOYSA-N 354.469 3.906 0 1 FHAF Cc1ccc2c(c1)OCc1cccnc1C2=C1CCN(CCC(=O)O)CC1 27557325 LJOFIKPGVINSHC-UHFFFAOYSA-N 364.445 3.655 0 1 FHAF COc1cccc([C@@](C)(O)c2nc(-c3ccc4c(c3)OCO4)cs2)c1 61905096 BIJCWIMTFNVLCV-LJQANCHMSA-N 355.415 3.803 0 3 FHAF COc1cc2cc(C=C[C@@H](C)O)c3c(c2cc1OC)C[C@@H]1CCCN1C3 2356669582 HIVKDOZRSFLVCE-PBHICJAKSA-N 353.462 3.772 0 1 FHAF CCCOc1ccc(F)cc1-c1cc(C(=O)NCc2cccs2)[nH]n1 61930213 JQPVJRKNAIGZDB-UHFFFAOYSA-N 359.426 3.996 0 3 FHAF CCOc1ccc(-n2nc3c(N4CCC(F)(F)C4)nnc(C)c3c2C)cc1 72112351 PTYOAOCUXNHRIN-UHFFFAOYSA-N 373.407 3.676 0 1 FHAF c1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)nc1 73297113 BSHQFIFFNNPKCD-UHFFFAOYSA-N 363.465 3.740 0 1 FHAF Fc1cccc(-c2nc(CN[C@H]3CCN(Cc4ccccc4)C3)co2)c1 72185318 WDBJHPRBLVFFSA-IBGZPJMESA-N 351.425 3.845 0 1 FHAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC)cc3F)oc2c1 139359813 KJEMQGQAURYRID-LLVKDONJSA-N 367.380 3.893 0 1 FHAF CN1Cc2c(NC(=O)CN3CCCCC3)cccc2[C@H](c2ccccc2)C1 40505774 XBYQSNVYDGQAQP-FQEVSTJZSA-N 363.505 3.688 0 1 FHAF CC(C)c1nc2c(NCc3cccc(F)c3)ncnc2n1C[C@H]1CCCO1 82184648 MNWKDTOOAKLTRI-MRXNPFEDSA-N 369.444 3.880 0 1 FHAF Nc1nc2c(s1)[C@H](C(=O)NCc1ccc(Cl)cc1Cl)CCC2 220871600 OYGYPTFWDIYVCY-SNVBAGLBSA-N 356.278 3.768 0 1 FHAF CCN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc(F)cc2)n1 82141118 NWQDNCTVTFMEHF-UHFFFAOYSA-N 356.445 3.611 0 1 FHAF C1=C\COCc2cncc(c2)-c2ccnc(n2)Nc2cccc(c2)COC/1 137932284 TWRIPCVWWMPBCA-UPHRSURJSA-N 360.417 3.885 0 1 FHAF COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccnc1OC 49112970 AIGMIQVSRPRWAQ-CQSZACIVSA-N 353.466 3.559 0 1 FHAF CC1(C)c2cc(-c3nc4c(C(N)=O)cccc4[nH]3)sc2C(C)(C)N1O 40861773 TUMJTGVSYJJVBT-UHFFFAOYSA-N 356.451 3.565 0 1 FHAF O=C1CS(=O)(=O)[C@@H](c2ccccc2)N1c1ccc(-c2ccccc2)cc1 95784742 SWZWKXBIBQZODQ-NRFANRHFSA-N 363.438 3.814 0 1 FHAF COc1ccc(NC(=O)NCCOC(=O)Nc2ccc(Cl)cc2)cc1 68586563 MCXLHPYZOKGNKH-UHFFFAOYSA-N 363.801 3.719 0 1 FHAF biogenic O=C(Nc1ccc(OC(F)F)cc1)n1ncc2ccc(Cl)cc2c1=O 587651106 CTEISETYZVATJB-UHFFFAOYSA-N 365.723 3.732 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCCCN1C(=O)OC(C)(C)C)O2 587393601 JGYJOOVPHOBFDY-RDJZCZTQSA-N 360.454 3.701 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn([C@H](C)C(=O)O)c3ccccc13)O2 587389338 HMZASEMZGJIAMB-CWTRNNRKSA-N 364.401 3.884 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1CNC(=O)OC(C)(C)C)O2 587386443 JEDBLQBTTSVWQT-RNODOKPDSA-N 360.454 3.606 0 1 FHAF C[C@@]1(Cc2ncccc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587518567 LFRUOFGPGADXDG-OAQYLSRUSA-N 351.402 3.625 0 1 FHAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587196598 WLQCZQDJTHJSRM-HNNXBMFYSA-N 352.482 3.721 0 1 FHAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)o1 587649634 RMCTVQQWZIYGLU-UHFFFAOYSA-N 371.336 3.723 0 1 FHAF CCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347096 LBMHHSMZJOXZKR-UYAOXDASSA-N 358.365 3.602 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)O)c1C)CC2=O 587481771 IBQISIULAFTGMO-HXUWFJFHSA-N 357.406 3.868 0 1 FHAF Cc1nn(C)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754921 FMMAQHSLJJCAOV-HUTHGQBESA-N 366.278 3.736 0 1 FHAF COC(=O)c1cccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12 586982955 SLGZQSJTWPSCSF-UHFFFAOYSA-N 359.179 3.592 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(=O)O)CC2=O 587479316 HOTFXQYWIMFMJG-GOSISDBHSA-N 356.374 3.515 0 1 FHAF COc1ccc2c(C)c(CCc3nc4c(C)ccnc4[nH]3)c(=O)oc2c1C 586919283 YYIDUYCPFVAPMO-UHFFFAOYSA-N 363.417 3.783 0 1 FHAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(=N)[nH]cc2[nH]1 587035087 NUIIRWUTQZAKGK-LBPRGKRZSA-N 365.462 3.856 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=COc1cc(O)ccc12 587605852 BEBWBECSBALXSU-UGKGYDQZSA-N 374.348 3.861 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)nc2)N1 587703769 HJJPYJZFEDPZEC-FUXBKTLASA-N 356.626 3.655 0 1 FHAF COc1cc(/C=C/c2nc3cc(N)c(N)cc3[nH]2)ccc1Br 586978144 YAPZUXQSMCULDE-HWKANZROSA-N 359.227 3.669 0 1 FHAF COc1cc2c3c(c1)OC1(CCN(c4cccc(F)c4)CC1)[C@@H](C2)C3=O 587430019 YNXFOSCFUOJBSJ-KRWDZBQOSA-N 353.393 3.621 0 1 FHAF CC[C@@]1(c2nccn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757987 WLETXEKQFBROBZ-QLJPJBMISA-N 352.251 3.510 0 1 FHAF CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442527 PXEHEBPTTWQYOD-LTSIINAVSA-N 372.461 3.817 0 1 FHAF O=C(c1ccco1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657115 VSFPPJIBHSFTRT-UHFFFAOYSA-N 352.296 3.623 0 1 FHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cc(F)c(Cl)cc2F)N1 963236410 WSPJEESGUGNCAQ-ROUUACIJSA-N 374.774 3.855 0 1 FHAF CC[C@@H](C)c1cc2c(N/N=C/c3nc(CNC)cs3)ncnc2s1 72317953 XVJGPSBOQZKQIQ-LGSFHTRGSA-N 360.512 3.827 0 1 FHAF O=C1c2ccccc2C(=O)N1CCCNc1ccnc2cc(Cl)ccc12 199878753 XRAMVNPPOBWOPB-UHFFFAOYSA-N 365.820 3.986 0 1 FHAF Cc1cc(F)ccc1NC[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 142170190 OMCSKQTWNQXPRF-SJLPKXTDSA-N 362.470 3.633 0 1 FHAF O=C(Nc1ccccc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C1CC1)N2 13123790 JXDAXXTYSDDKIL-OCCSQVGLSA-N 350.344 3.833 0 1 FHAF COc1ccccc1N1CCN(CC[C@H]2CCc3sccc3C2=O)CC1 13471668 HIFLACAUPGVDAM-MRXNPFEDSA-N 370.518 3.714 0 1 FHAF CON/C=C(\C)C(=O)c1ccc2c(Br)c(OC)ccc2c1 3118825 XDILKMMTUJRJFW-MDZDMXLPSA-N 350.212 3.848 0 1 FHAF Cc1ccc(Sc2c(C(=O)NCCN(C)C)[nH]c3ccccc23)cc1 6798749 JBIVLWVXKJBLTG-UHFFFAOYSA-N 353.491 3.919 0 1 FHAF CCc1cc2c(s1)Nc1cc(F)cc(F)c1N=C2N1CCN(C)CC1 27992028 MYSXEESQCQSSIY-UHFFFAOYSA-N 362.449 3.971 0 1 FHAF c1ccc2c(N3CCN(CCc4ccc5c(c4)NCN5)CC3)cccc2c1 28363905 XCKMSIBEVNAANY-UHFFFAOYSA-N 358.489 3.999 0 1 FHAF CC(C)NC(=O)C[C@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568703 FKSICUOFJYPFSV-XDLCDVFGSA-N 371.521 3.750 0 1 FHAF in-vivo CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4C5=C(CC[C@@]4(C)[C@H]2CC[C@@H]1C3)OCC5 29207532 PFBDJHPYAAHUPA-UWNDKRMDSA-N 360.494 3.972 0 1 FHAF c1ccc(CN2CC[C@@H](Nc3nccc(N4CCCCCC4)n3)C2)cc1 33848653 ITQKQTAFSZRQTM-LJQANCHMSA-N 351.498 3.543 0 1 FHAF Cc1ccc(S(=O)(=O)N(C)c2ccc3c(C)c(C)c(=O)oc3c2)cc1 36471350 ACYMPVHSUJKNNR-UHFFFAOYSA-N 357.431 3.543 0 1 FHAF C[C@H](NC1=NC(=O)[C@](C)(c2ccc(CO)cc2)S1)c1ccc(F)cc1 40395438 WJJRVEFWXPKMQE-BUXKBTBVSA-N 358.438 3.513 0 1 FHAF O=C(c1ccc(Cl)c(Cl)c1)[C@H]1NS(=O)(=O)c2ccccc2S1 40872398 OVOQEXNDAKQWQS-AWEZNQCLSA-N 374.270 3.586 0 1 FHAF Cn1c(-c2ccc3nccnc3c2)c(-c2cccc(Cl)c2)c(=O)n1C 45348754 XBJRJJVAEABRGT-UHFFFAOYSA-N 350.809 3.654 0 1 FHAF COc1cc2oc(=O)cc(-c3ccc4ccn(C)c4c3)c2c(OC)c1OC 45496208 YFUCMZSMEGPJBY-UHFFFAOYSA-N 365.385 3.978 0 1 FHAF CCn1nc(C)c(NC(=O)CN2CC[C@H](c3ccccc3Cl)C2)c1C 65396550 NAYZHRLUJSFXNT-HNNXBMFYSA-N 360.889 3.601 0 1 FHAF Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 95553245 CKAYFBSKGOPXBW-ZDUSSCGKSA-N 374.851 3.738 0 1 FHAF O=C(c1ccc(F)cc1)C1CCN(CC[C@H]2CC3=CC=C[C@@H]3C2=O)CC1 100873352 ORQWPBKZZWESRN-ICSRJNTNSA-N 353.437 3.812 0 1 FHAF C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102077909 BBNWIEGTGHCCOP-SRVKXCTJSA-N 358.265 3.929 0 1 FHAF CC(=O)OCC1=C2C(=C[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@@]34O[C@H]24)OC1=O 103546348 CABXXWMSQRXEQX-VQMFYWGHSA-N 372.461 3.681 0 1 FHAF biogenic,in-vitro Cc1nc2cccc3c2nc1N[C@H](C)/C=C/C[C@H]1CNC(=O)c2cc-3[nH]c21 150033336 DDQXBYGNFGPJRL-QIPCVNDGSA-N 359.433 3.521 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@@H]2C[C@@H](O)[C@H]1C/C=C/CCCC(=O)O2 169290081 QVNXPVRCJMCIQT-QIZSWEPYSA-N 350.499 3.913 0 1 FHAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(Cl)nc(Cl)c1 223482736 GEXQRYFUVGVIMA-LBPRGKRZSA-N 353.205 3.643 0 1 FHAF Cc1ccn2c(C(=O)c3ccc(Br)cc3)cc(C(=O)O)c2c1 299829412 UMDCXHJPHRNBPH-UHFFFAOYSA-N 358.191 3.939 0 1 FHAF COC(=O)/C(=C\N(C)C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995327 FOQQIXPSSQQTIE-PDGQHHTCSA-N 372.424 3.830 0 1 FHAF O[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccccc1Cl 587057672 CUJIHAINUDRNTJ-MRVPVSSYSA-N 363.126 3.712 0 1 FHAF CC(=O)Cc1nc2c(C)ccc3c2c(c1CC(=O)O)-c1ccccc1C3=O 587100343 HECPRFRFKGOGNL-UHFFFAOYSA-N 359.381 3.513 0 1 FHAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(N)ccnc2[nH]1 587121393 ARUIYTJPOCXNAC-UHFFFAOYSA-N 359.311 3.962 0 1 FHAF COc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1C 587149173 MIUXPCURDSXSNJ-CYBMUJFWSA-N 371.387 3.674 0 1 FHAF O=C(/C=C\c1nc2cncc(Br)c2[nH]1)Nc1ccc(F)cc1 587166802 JNDWDHBNGRNOCW-WAYWQWQTSA-N 361.174 3.511 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C13C[C@H]4C[C@@H](CC(C(=O)O)(C4)C1)C3)O2 587409484 VOEWJPNGGDJIHY-HBPZAUOFSA-N 369.461 3.972 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(N)cccc1Br)[C@@H](C2)C3=O 587412629 JLEOFVRLYBNNCC-DYZYQPBXSA-N 360.207 3.529 0 1 FHAF Cc1ccc(-c2[nH]c3cc(F)ccc3c2[C@H](C(=O)O)n2cncn2)cc1 587636036 PBSGNDKGEPZBDH-GOSISDBHSA-N 350.353 3.548 0 1 FHAF Cc1ncn(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587755381 PEVPUYFJOUWNQA-BTDLBPIBSA-N 366.278 3.851 0 1 FHAF Fc1ccc2sc(-c3cn4nc(Br)sc4n3)nc2c1 653686458 PALOVIIXGBARNG-UHFFFAOYSA-N 355.217 3.969 0 1 FHAF Cc1ccc(C)c(C(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)c1 653803705 QMYWNSHLBYNDSZ-UHFFFAOYSA-N 357.417 3.848 0 1 FHAF CC(=O)N1CCc2sc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)cc2C1 963118607 ZTESBDCEOWEJNV-DYESRHJHSA-N 370.493 3.902 0 1 FHAF CC[C@@]1(C(C)C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963140270 JTDRGLYUDDHEJA-YVEFUNNKSA-N 354.472 3.651 0 1 FHAF CN(Cc1cc([C@]2(C)CCSC(=N)N2)c(F)cc1F)CC(F)(F)F 1772635737 RHXHFXVYZBDQQN-AWEZNQCLSA-N 367.387 3.835 0 1 FHAF CCc1c(C(=O)N[C@H](CO)Cc2ccccc2)[nH]c2ccc(Cl)cc12 1857758877 HTUDNZNSJDVDJG-HNNXBMFYSA-N 356.853 3.717 0 1 FHAF CC(C)c1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)no1 12585590 FAVVNRJAVCLQEF-OAHLLOKOSA-N 368.412 3.930 0 3 FHAF COc1cccc(-c2cnc([C@H](O)c3ccc(CN4CCCC4)cc3)[nH]2)c1 61908250 DWPZALRYWYKYKS-OAQYLSRUSA-N 363.461 3.763 0 3 FHAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2ccc(F)cc2F)C1=O 200051399 MWMJFENLOBPWNA-IBGZPJMESA-N 372.415 3.584 0 3 FHAF Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 4893682 GPTUKPQVZHDYBG-UHFFFAOYSA-N 363.866 3.902 0 1 FHAF CC1=C(C(=O)Nc2c(C)cc(C)cc2C)C2(CCN(C(C)C)CC2)OC1=O 8600176 YDDLNTJQDJBVCH-UHFFFAOYSA-N 370.493 3.667 0 1 FHAF O=c1c2ccccc2c(C(=S)Nc2ccc(Cl)cc2)c2n1CCN2 101683524 XVASVLUYQGXPJN-UHFFFAOYSA-N 355.850 3.868 0 1 FHAF O=C([C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCc1ccccc1)N1CCCC1 26474625 ZBEQQRKNODGSNF-PCCBWWKXSA-N 368.521 3.791 0 1 FHAF CCCC(=O)N1CCC[C@]1(C)C(=O)N(C)Cc1cccc2ccccc12 61926193 NVFNTWRXZPEOPE-JOCHJYFZSA-N 352.478 3.979 0 3 FHAF CSc1nc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)cs1 39405736 LAKPURLGQRAFPN-CYBMUJFWSA-N 351.472 3.721 0 1 FHAF CCOc1cc(Cl)ccc1-c1onc(C(=O)NC2CCOCC2)c1C 72178205 NKHTVYWORXECGR-UHFFFAOYSA-N 364.829 3.611 0 1 FHAF CCCN(CCC)C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21 38357670 CREZVEBWPAIMPN-UHFFFAOYSA-N 352.434 3.910 0 1 FHAF CCOC(=O)COc1cc(OC)ccc1-c1cc(-c2ccccc2)no1 71296167 KTVQXTVONZKEFB-UHFFFAOYSA-N 353.374 3.959 0 1 FHAF COc1c(F)cc(C[C@@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1F 45202778 WOEKXZKYVQIOAS-PIGZYNQJSA-N 355.812 3.881 0 1 FHAF O=C1CCC/C=C\C[C@H]2C(=O)C[C@@H](O)[C@@H]2/C=C\[C@@H](CCc2ccccc2)O1 40465024 WWHYWVRAJPRWHZ-VDKUCSMTSA-N 368.473 3.784 0 1 FHAF COc1ccc2ccc(=O)oc2c1C1=NN(C(C)=O)[C@@H](c2cccs2)C1 299869091 UADHKLCXXLKZAC-CQSZACIVSA-N 368.414 3.561 0 1 FHAF N[C@@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1Cl 587057678 QPWKONXKFPALJD-AWEZNQCLSA-N 355.804 3.784 0 1 FHAF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587638760 PLIJAEWDHWXZOT-UHFFFAOYSA-N 357.749 3.542 0 1 FHAF COC(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810226 UFLHLNXIXDNYKB-BMLIUANNSA-N 372.278 3.927 0 1 FHAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587599948 JHHHFSXAGWALTN-LLGFUMIMSA-N 354.402 3.928 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)[C@H]3CCC[C@@H]32)N1 587765419 CHEVRKWLFPOBMI-MTKHPJAWSA-N 367.306 3.822 0 1 FHAF CC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)c1 587751629 NEKGKSIHHAUQPU-XYZCENFISA-N 365.246 3.753 0 1 FHAF O=C1CC=C(c2nc3ccc(Cl)cc3[nH]2)NN1Cc1ccc(F)cc1 587164507 VHEKBRUXMSOMME-UHFFFAOYSA-N 356.788 3.633 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)N1CCCC1 587863630 NSTULFFPFNMTOM-LBPRGKRZSA-N 367.371 3.702 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)o2)N1 587757017 UAGSWGWEXWUHFJ-XXFAHNHDSA-N 353.235 3.871 0 1 FHAF O=C(NCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)OCc1ccccc1 587228615 UPDJBVYKOWAJJF-UHFFFAOYSA-N 367.302 3.588 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nccn12 587586894 LLQGCGWELGLIEL-NQIIRXRSSA-N 358.353 3.743 0 1 FHAF Cc1cnc2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 587001899 ADOHBOKCDSGPTJ-SNVBAGLBSA-N 372.222 3.664 0 1 FHAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 586936742 AFCYRLZSZMCOSR-UHFFFAOYSA-N 373.265 3.552 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nccn3c2)N1 587774371 MTSGCPKZFXGKIH-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF Cc1nccc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c12 586999915 KIJABKTWYKNRBW-UHFFFAOYSA-N 372.178 3.508 0 1 FHAF COCc1ccc(C(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)s1 11840762 DMNRBYJGHBMMFI-QGZVFWFLSA-N 358.507 3.631 0 3 FHAF Cc1ncoc1C(=O)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 12430998 QSPIIEFDVQONKZ-CYBMUJFWSA-N 366.339 3.737 0 3 FHAF CCCN(CCCCN1CCCCC1)[C@H]1COc2cccc(OC)c2C1 13737118 MLJJVRAVVNCLMN-LJQANCHMSA-N 360.542 3.977 0 1 FHAF NCCCOc1ccc(-c2cn[nH]c2-c2cc(Cl)c(O)cc2O)cc1 16051828 XDDGJOIYZAMLBW-UHFFFAOYSA-N 359.813 3.536 0 1 FHAF in-vivo CC1=NC(=O)N[C@H](c2cccc(O)c2)[C@H]1C(=O)OC1CCCCCCC1 169690182 FQVVYTYPDLOXMH-ZWKOTPCHSA-N 358.438 3.890 0 1 FHAF C[C@@H]1c2cc(COc3ccccc3)nn2CCN1C(=O)c1ccc(F)cc1 168076019 YSYLOVHLVDKWFB-OAHLLOKOSA-N 365.408 3.818 0 1 FHAF Fc1ccccc1-c1nc2ccn(Cc3cn(-c4ccccc4)nn3)cc-2n1 1857759240 LMQZOXONFMVONY-UHFFFAOYSA-N 370.391 3.818 0 1 FHAF O=C(Cn1cc(F)c2ncc(-c3cccc(Cl)c3)cc21)N1CC(F)C1 1857760805 SFBLMCASPNSIRO-UHFFFAOYSA-N 361.779 3.676 0 1 FHAF COC(=O)c1sc(=O)n(-c2ccccc2)c1SCc1ccccc1 1630721 IUQNCJVLGFPLNG-UHFFFAOYSA-N 357.456 3.978 0 1 FHAF O=C1CC2(CCN(CCc3ccccc3)CC2)OC[C@H]1c1ccc(F)cc1 26295717 ODWYRJRPSGVBPV-NRFANRHFSA-N 367.464 3.976 0 1 FHAF C[C@]1(C(=O)Nc2cccc3ncccc23)CCN1C(=O)CCc1ccccc1 61927181 JLVXYZAHHKMVHP-HSZRJFAPSA-N 373.456 3.797 0 3 FHAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCN(C)CC2)cc1 22939498 ADYWDZJRWKEHMW-QFIPXVFZSA-N 365.521 3.505 0 1 FHAF COc1ccc(CN2CC[C@@H]3CC(=O)N(c4ccccc4)CC[C@@H]3C2)cc1 2356847434 OWBICFVPJZVFGB-WOJBJXKFSA-N 364.489 3.960 0 1 FHAF CN(C)c1ccc(-c2[nH]nc(O)c2NC(=O)c2ccc3ccccc3n2)cc1 72134915 MMYKVOYCWBHGLL-UHFFFAOYSA-N 373.416 3.649 0 3 FHAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2ccco2)C1 82142305 AILVZVFJXGUWCC-CVEARBPZSA-N 368.481 3.988 0 1 FHAF CCNc1nc(NCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 82131620 MAZXGDKVDRJMHL-UHFFFAOYSA-N 356.401 3.830 0 1 FHAF c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1 96168803 UJACTAJNQKYLIS-UHFFFAOYSA-N 354.413 3.959 0 1 FHAF Cc1cc(C)n2c(Nc3ccc4c(c3)OCCO4)c(-c3ccccn3)nc2n1 95604356 PGNZVHGVWASTDS-UHFFFAOYSA-N 373.416 3.923 0 3 FHAF O=C(NCCc1c[nH]c2ccccc12)c1cc[n+](Cc2ccccc2F)cc1 473155266 QYWAWICPVJULDS-UHFFFAOYSA-O 374.439 3.615 0 1 FHAF CCOc1nc2ccc(OCCCOc3ccc4c(c3)OCO4)cc2o1 299839007 PHAUNPZZPOUTIW-UHFFFAOYSA-N 357.362 3.803 0 1 FHAF Clc1ccc(I)cc1-c1nc2cccnc2[nH]1 587182380 JEEWVWOOJMXPGM-UHFFFAOYSA-N 355.566 3.883 0 1 FHAF O=C1C[C@@]2(CCOc3cc4c(cc32)OCO4)Oc2c1ccc1c2CCCC1 587535569 LIDLZWGVSDTIGZ-JOCHJYFZSA-N 364.397 3.937 0 1 FHAF Cc1cnc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2c1 587172567 IUTORTQWUAEJRS-UHFFFAOYSA-N 352.344 3.861 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2OCO3)N1 587833665 HDRZDRZIDCSXJN-JDNHERCYSA-N 364.214 3.941 0 1 FHAF COc1ccncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587773430 ILINELFUGRILJO-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Cl)cn1 587552533 SDCHESLLKUZSTM-WMLDXEAASA-N 354.749 3.539 0 1 FHAF CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587511617 QRRPBQFPLYKDJA-XPWALMASSA-N 367.489 3.971 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1O 587862865 ZNPXMUBIMUNEFS-UHFFFAOYSA-N 362.307 3.972 0 1 FHAF Cc1nccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587335214 GXMXBOZUTUUWBY-PZJWPPBQSA-N 364.376 3.904 0 1 FHAF COc1cc(CC(=O)O)ccc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963116257 WDQLLKJJZPNYNX-IIBYNOLFSA-N 355.409 3.571 0 1 FHAF CCOC1=C(C)[C@@]2(CC1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962676520 ZNOZXDAPQMJOMO-FCHUYYIVSA-N 366.461 3.633 0 1 FHAF COc1c(O)c2c(c3c(=O)occc13)CC[C@H]1C(C)(C)C(=O)CC[C@]21C 13337279 DZAIPEFYJZKDHX-ZSEKCTLFSA-N 356.418 3.716 0 1 FHAF biogenic CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2c(N)cccn12 13801054 KNZSIRUHLKZKIH-UHFFFAOYSA-N 350.466 3.775 0 1 FHAF COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1OC 15070686 NSYRCTMMDPVBCP-INIZCTEOSA-N 371.408 3.578 0 3 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(/C=C\Br)cc2)C[C@@H]2CC[C@@H]1N2C 169300827 QRRDJSMVPRYYBA-HIFANLLHSA-N 364.283 3.792 0 1 FHAF CSc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 169709280 DEUKSWBFIAKQOD-KBXCAEBGSA-N 371.506 3.658 0 1 FHAF Cc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNC2 208111722 XKJUTNKFMMBKTJ-UHFFFAOYSA-N 355.445 3.944 0 1 FHAF O=C(O)c1cc2cc(Br)cc(N[C@H]3CC[C@@H](O)CC3)c2o1 101419221 IQNDSBJQOZFMDJ-XYPYZODXSA-N 354.200 3.609 0 1 FHAF O=C(NCc1ccncc1)c1cc(C(=O)c2c(Cl)cccc2Cl)c[nH]1 1857553318 JGRNTCLTZVZXPT-UHFFFAOYSA-N 374.227 3.878 0 1 FHAF CNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2cccnc2)cn1 1857567177 ORUZHTYYAVTPOC-UHFFFAOYSA-N 356.332 3.965 0 1 FHAF CC(C)=CC[C@@](C)(O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O 27893480 MAHJYISXLQEIJP-HBSGUFGCSA-N 354.531 3.749 0 1 FHAF CCCCC[C@H](O)/C=C/[C@@H]1O[C@H]2C[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100953435 DSNBHJFQCNUKMA-HMHPIRCFSA-N 352.471 3.815 0 1 FHAF CC[C@H]1C/C=C/C[C@H](C)Oc2ccccc2C(=O)N(C)[C@H](C(C)C)C(=O)N1 100087654 CQYQOVCXZAQFHL-YSLAMIOMSA-N 372.509 3.795 0 1 FHAF Cc1nc(N)cc(-c2nc3ccccc3nc2Nc2cccc3[nH]ncc23)n1 113235270 OTVNFZVXMMFGES-UHFFFAOYSA-N 368.404 3.597 0 1 FHAF CCCCN(C)c1c(C)nc2ccc(C(=O)NCc3cccs3)cn12 61928037 YYPNKFAIZBQQDX-UHFFFAOYSA-N 356.495 3.871 0 3 FHAF CCCNC(=O)c1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2C)on1 61906356 XLHSLNCOFBOISO-QGZVFWFLSA-N 373.428 3.629 0 3 FHAF C[C@@]1([C@@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(F)cc2)C1=O 72178078 MATLSIAJUHWSQN-YOEHRIQHSA-N 365.813 3.620 0 1 FHAF CN1CCN(c2cccc3[nH]c(C(=O)c4ccc5ccccc5c4)nc23)CC1 45316304 PTBOVUSHOQDOMK-UHFFFAOYSA-N 370.456 3.699 0 1 FHAF Cc1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCc2ccccn2)o1 82181017 FYSGRXQEXIBERL-UHFFFAOYSA-N 374.448 3.854 0 1 FHAF COc1ccc(Oc2ccc(F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1 143179544 MLSMJFXHDQHXSA-UHFFFAOYSA-N 354.337 3.567 0 1 FHAF CCCc1cnc(N2CC(Oc3ccc([C@@H](C)CC(C)=O)cc3)C2)nc1 96172911 AHLCSSWVQFHMQS-HNNXBMFYSA-N 353.466 3.779 0 1 FHAF Nc1ncc(-c2ccc(C(=O)O)cc2)nc1-c1ccc(C(F)(F)F)nc1 2382222762 BGWXSVFJWIRZLX-UHFFFAOYSA-N 360.295 3.505 0 1 FHAF O=C(c1ccc(Cn2sc3ccccc3c2=O)cc1)N1CCCCC1 299823922 BWCUHARDUVIISC-UHFFFAOYSA-N 352.459 3.737 0 1 FHAF COc1ccc(/C=C/c2cn(/C=C/c3ccc(O)c(OC)c3)nn2)cc1O 653795368 NROQQWOCWXBPTJ-YGTBBBQQSA-N 365.389 3.505 0 1 FHAF Cc1c(F)ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587118792 QFWUJWNGXLRPIX-UHFFFAOYSA-N 365.290 3.929 0 1 FHAF CCOC(=O)[C@]1(c2ccc(C)c(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587401949 ZXXARZSDLQKLSB-OAQYLSRUSA-N 353.418 3.618 0 1 FHAF CCOC(=O)[C@@H]1[C@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@@H]21 587107147 PROLHSMQECSOFT-PNHOKKKMSA-N 355.393 3.895 0 1 FHAF CC(=O)O[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586992147 OXJRYVYDHJPEPR-LBPRGKRZSA-N 359.381 3.572 0 1 FHAF Cc1cc(C)cc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587391006 QPRZJVJXJMORFI-OAQYLSRUSA-N 352.434 3.947 0 1 FHAF CC[C@]1(c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587765816 UIWQRSLGQGEILI-MGPLVRAMSA-N 352.251 3.510 0 1 FHAF OCCc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005841 VXYKIEOEXUWOOO-UHFFFAOYSA-N 352.619 3.576 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(CC)cc1Cl 587871541 ZAEFTCCDJCGDHX-UHFFFAOYSA-N 362.792 3.646 0 1 FHAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3c(Cl)ncnc3[nH]2)c1 587051170 PAGVFTKHNVRHSY-UHFFFAOYSA-N 350.209 3.921 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 587148979 FLBYJCFERRPHIY-SNVBAGLBSA-N 366.389 3.775 0 1 FHAF COc1cc2c3c(c1)O[C@@](/C=C(/C)N(C)C)(c1ccsc1)[C@@H](C2)C3=O 587450523 FRDCXZQZOCDUOT-LQWAUCAYSA-N 355.459 3.865 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)cc1F)CC2=O 587466417 LKYALPVWGRLXMV-SFHVURJKSA-N 358.365 3.977 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccccn23)N1 587773834 KDFXJMGRVGEJMZ-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4ccco4)c3O)c2)n1 587937376 KYIROCQPWODZHF-UHFFFAOYSA-N 362.341 3.909 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cccc(N)c21 587389262 JPWNNCOJTCJBRC-QHCPKHFHSA-N 370.408 3.613 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(C(=O)O)c2[nH]1)C(C)(C)C 587205441 RFWWFELURKPCIC-ZDUSSCGKSA-N 361.442 3.743 0 1 FHAF CCOC(=O)[C@@H](F)[C@@]1(CC)NC2(CC2)Cc2ccc(Br)cc21 961316670 CPSGBHURWLLRPA-PBHICJAKSA-N 370.262 3.634 0 1 FHAF COc1ccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1SC 963039576 YMIPRTWVXVVWMX-RBZFPXEDSA-N 354.475 3.560 0 1 FHAF O=C1C=C[C@]2(C[C@H](OC(=O)/C=C/c3ccccc3)[C@H](c3ccccc3)O2)O1 1772615699 SGSAJTBMFFIZRD-NMZRIQAESA-N 362.381 3.583 0 1 FHAF CC(C)n1ncc2c(C(=O)N=c3cc[nH]cc3)cc(-c3ccsc3)nc21 1772572099 LLQXNESJROFGGJ-UHFFFAOYSA-N 363.446 3.810 0 1 FHAF CC(C)n1ncc2c(C(=O)Nc3ccncn3)cc(-c3ccsc3)nc21 1772597487 OHVWSMJLVAYZAU-UHFFFAOYSA-N 364.434 3.783 0 1 FHAF Cc1ccc(/C=C2\CNC[C@@H]3C2=NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 169729951 PBAUMKNLCRWIBL-FPZBBQJASA-N 361.514 3.977 0 1 FHAF CC[C@H]1Cc2cc(OCC3CC3)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857771398 DUBVTXDLHVBXGK-AWEZNQCLSA-N 369.417 3.518 0 1 FHAF Cn1ncc2c(NS(=O)(=O)c3cccc(Cl)c3Cl)cccc21 1257252274 QLUQFZCZCPWWFV-UHFFFAOYSA-N 356.234 3.681 0 1 FHAF O=C(Nc1ccc(Cl)cn1)N[C@@H]1C[C@H]1c1c(F)ccc(O)c1Cl 6536593 NTNATEYJPONKDY-PSASIEDQSA-N 356.184 3.911 0 1 FHAF CN1CCC[C@H]1CCNC(=O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 13451349 NZYFTXGDQKJVTP-MPGHIAIKSA-N 362.901 3.973 0 1 FHAF CN(CCc1c[nH]cn1)C(=O)C[C@H](c1ccc(Cl)cc1)c1ccccn1 13490233 UMWQGCHBOCVGSL-GOSISDBHSA-N 368.868 3.681 0 1 FHAF O=C(CCc1ccccc1)c1ccc(OC[C@H](O)CN2CCCCC2)cc1 13529203 IHCSOZZNVAFSOX-OAQYLSRUSA-N 367.489 3.728 0 1 FHAF CCOC(=O)C1=C(C)OC(C)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1 13536915 AVPNLAMVZBVGHX-INIZCTEOSA-N 350.798 3.738 0 1 FHAF CCCc1c(OCCCCCCN2CCOCC2)ccc(C(C)=O)c1O 27740151 ZGDANTDXRZKOHI-UHFFFAOYSA-N 363.498 3.819 0 1 FHAF O=C(O[C@H]1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21 28243155 OMYFTZZTQULVGM-JMOSNPTESA-N 358.441 3.657 0 1 FHAF C=CC(=O)Nc1ccc(C(=O)Nc2cccc(Br)c2)c(O)c1 28564083 RVPAGQILSYDDNT-UHFFFAOYSA-N 361.195 3.532 0 1 FHAF in-vivo Cn1c([S@](=O)Cc2nc3ccccc3n3cccc23)nc2ccccc21 28639062 DFKJQNCYYMIWOA-SANMLTNESA-N 360.442 3.682 0 1 FHAF CCOC(=O)[C@]12C[C@@]1(Cc1ccccc1)c1cc(Cl)ccc1NC2=O 34821485 TWBYZAQKOBNUBW-VQTJNVASSA-N 355.821 3.726 0 1 FHAF Cc1ccc(O)cc1Nc1cc(N(C)C)nc(-n2cnc3ccccc32)n1 36187674 FJZMHBBVHSAAAE-UHFFFAOYSA-N 360.421 3.639 0 1 FHAF CNC(=O)Nc1snc(S[C@@H](C)c2ccc(Cl)cc2)c1C(N)=O 36348939 ZZRZYNUVVRVWRW-ZETCQYMHSA-N 370.887 3.500 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccc(Cl)cc1 40414394 PSEXTHONOJODRR-DOTOQJQBSA-N 358.869 3.893 0 1 FHAF CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1C[C@@H]1CCCO1 82179364 RFNTVSBTOXZAOM-KRWDZBQOSA-N 365.481 3.878 0 1 FHAF Cn1cc(-c2nc(N)[nH]c(=O)c2-c2cn(C)c3ccccc23)c2ccccc21 84688293 UEOLDXJWQHOKQH-UHFFFAOYSA-N 369.428 3.670 0 1 FHAF CN(C)c1cccc(Nc2nccn3c(-c4ccc5c(c4)OCO5)cnc23)c1 141605993 VSZJKFPJNIVLLX-UHFFFAOYSA-N 373.416 3.935 0 1 FHAF C=Cc1ncc(-c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)o1 299819677 DCBMNSABCXZXRZ-UHFFFAOYSA-N 352.415 3.736 0 1 FHAF COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1 473150570 MOXAZUHAPUILEZ-UHFFFAOYSA-N 367.489 3.835 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3ccccc3C(=O)O)nc2c1 586882589 YZRRPYXAUVBNNV-SREVYHEPSA-N 356.765 3.872 0 1 FHAF COC(=O)C(F)(F)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586985763 FUXLSWKSRKRHHH-UHFFFAOYSA-N 369.323 3.725 0 1 FHAF CC(C)(C)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2n1 587007910 FSWXNPQDHDVWGC-UHFFFAOYSA-N 371.242 3.728 0 1 FHAF CC(C)Oc1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587228084 IEYOGTHHAGRIPV-UHFFFAOYSA-N 353.422 3.819 0 1 FHAF Nc1cncc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587253894 HFJNMZYPAMJKBO-UHFFFAOYSA-N 373.132 3.868 0 1 FHAF C[C@]12CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]1O2 587360323 UVYSKPOTFHHREW-FYZZASKESA-N 354.377 3.970 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C)C(=O)O)(c1ccccc1F)O2 587384861 JULYGMWVLFJAQJ-YUNKPMOVSA-N 357.381 3.688 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cccc3ncoc13)O2 587387880 UCQZFXCHQPDTNE-QQUYBBDPSA-N 363.417 3.654 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)ccc1-n1ccnc1)[C@@H](C2)C3=O 587429023 RHWRDGBCKQEFMK-KKSFZXQISA-N 364.376 3.683 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1c(C)cccc1C)[C@@H](C2)C3=O 587433672 SZQHLOOLYVRXMN-KSFYIVLOSA-N 365.429 3.847 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(NC(C)=O)c1C)CC2=O 587469331 CSZKHIPOLARMGA-IBGZPJMESA-N 356.422 3.560 0 1 FHAF C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517240 JROHGBULBLZNSD-YEJXKQKISA-N 357.450 3.909 0 1 FHAF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CC(=O)O)c(Cl)c1 587638055 IPBOAMGPSQLBEH-UHFFFAOYSA-N 359.765 3.822 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N(C)C)N1 587754391 JNBANRBZRINFMR-MGPLVRAMSA-N 364.262 3.673 0 1 FHAF CC(C)=CCc1c(O)cc(O)c2c1OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 1772571836 HDSKERZFYMZNDJ-YEJXKQKISA-N 368.385 3.945 0 1 FHAF CNC(=O)Nc1cc(Oc2c(F)cccc2F)c(Br)cn1 1857535007 ZYQONBSSQQQJCH-UHFFFAOYSA-N 358.142 3.666 0 1 FHAF COc1ccc(-c2n[nH]c3c2-c2cc(OC)c(OC)c(OC)c2CC3)cc1 1857540518 LOJZGYGSTOWCFA-UHFFFAOYSA-N 366.417 3.877 0 1 FHAF CC(=O)O[C@H]1C2=C[C@@H](C)C(=O)C[C@H]3[C@@H](C[C@@H](C)C(=O)[C@H]2C[C@H]1C)C3(C)C 1857644346 KGBOFDMUICMLTL-JVSVXERRSA-N 360.494 3.977 0 1 FHAF CCOc1ccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)no2)cc1 1857769895 UEEIWASRPGFBKP-UHFFFAOYSA-N 374.343 3.696 0 1 FHAF CN1C=C([C@H]2CCCCN2C(=O)c2ccccc2Br)C=CC1 2356841239 NGBYFFFCKCPMDO-QGZVFWFLSA-N 361.283 3.829 0 1 FHAF C[C@@H](NC(=O)c1ccco1)c1cc2c(cc1Br)OCCCO2 668088 HZJNDPCPLNWGQB-SNVBAGLBSA-N 366.211 3.694 0 1 FHAF CS(=O)(=O)c1ccc(-c2nc3cccnn3c2-c2ccc(F)cc2)cc1 13861643 OEBSUSRSMRZIGM-UHFFFAOYSA-N 367.405 3.606 0 1 FHAF C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12 26716674 FMWUGVLACNSUGH-INIZCTEOSA-N 368.502 3.815 0 1 FHAF CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccc(C)cc1 49112116 MSGAEQCIVBPCTO-QFIPXVFZSA-N 351.446 3.662 0 1 FHAF C[C@H](CNC(=O)Cc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 66099985 NHMGDIAXSQUQCQ-MRXNPFEDSA-N 360.498 3.629 0 1 FHAF Oc1ccc2ccccc2c1Cc1ccc(OCCN2CCOCC2)cc1 72178991 YNORISHGHIYNJN-UHFFFAOYSA-N 363.457 3.847 0 1 FHAF CN(C)C[C@@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 84669227 MEQYKNCRJCYDDT-SFHVURJKSA-N 356.535 3.742 0 1 FHAF Fc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cccnc3)cc2)c1 100114042 BYCNBMIIEMQUFC-JKHIJQBDSA-N 359.448 3.828 0 1 FHAF Cc1ccc(/C=C/C(=O)N2C[C@H](CC(C)C)NC(=O)[C@@H]2CC(C)C)cc1 103267072 VVHAUUHWFPPFGB-FWEDTRJPSA-N 356.510 3.796 0 1 FHAF NC(=O)N1C(=O)/C(=C(\O)c2ccc(F)s2)c2cc(F)c(Cl)cc21 103298198 IMWALGCXZJCDTE-QXMHVHEDSA-N 356.737 3.531 0 1 FHAF COc1ccc2c3ncn(CCCN4CCCCCC4)c(O)c-3nc2c1 103533824 MQDWVEQTLCQMDY-UHFFFAOYSA-N 354.454 3.516 0 1 FHAF COc1ccc(C(=O)CSc2nc3ccccc3[nH]2)c(OC)c1OC 139452610 JQDFNVDHKNVSHB-UHFFFAOYSA-N 358.419 3.564 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CC(=O)N[C@@H]1COc2nccc(C)c21 146724913 QISDYTQCRBWQHI-CQSZACIVSA-N 351.233 3.798 0 1 FHAF CN(C)c1cc[n+](CCCCCCCCC[n+]2ccc(N(C)C)cc2)cc1 169325985 UYMWKPFFBQEEHT-UHFFFAOYSA-N 370.585 3.825 0 1 FHAF Brc1cc(/C=C\c2nc3cnccc3[nH]2)cc2c1OCCO2 587002040 SFZVTVNXVTVQTI-UPHRSURJSA-N 358.195 3.662 0 1 FHAF FC(F)(F)CCc1ocnc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587091068 ACOBTWXWJDRFFB-UHFFFAOYSA-N 353.300 3.874 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587115990 IKZYNLHIGLAYKS-HNNXBMFYSA-N 372.310 3.916 0 1 FHAF CS(=O)(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587174346 HNEVEYBDMFNPAC-UHFFFAOYSA-N 363.801 3.907 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn3cc(Br)nc13)O2 587373033 PDSSDFIWTBLLOK-AWEZNQCLSA-N 372.222 3.694 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)cc1N)[C@@H](C2)C3=O 587418097 ALNDETUODWGJHT-SCLBCKFNSA-N 363.335 3.959 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccc4C)nc1)[C@@H](C2)C3=O 587435230 CNZFMXGUQLYZQJ-LAUBAEHRSA-N 358.397 3.949 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(O)c(F)cc31)CC2=O 587470774 ISHYDMRCXDHNAK-FQEVSTJZSA-N 358.365 3.833 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc(C(=O)OC)c1)CC2=O 587477016 HFGOVDMEBSVFTF-IBGZPJMESA-N 370.401 3.846 0 1 FHAF CS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530842 HUQIJIXLIQUKII-LJQANCHMSA-N 356.443 3.675 0 1 FHAF Nc1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553774 VXPVKBKYNDDNBK-QAPCUYQASA-N 368.776 3.726 0 1 FHAF Nc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587559822 ZHLPQNHHVBTGDI-XLIONFOSSA-N 351.333 3.816 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2N)N1 587730794 KTTZHEPIFORDHY-BCTVWOGZSA-N 353.210 3.933 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CCN(C)CC2)N1 587765058 BOZXQPYTMCVDMQ-DIFFPNOSSA-N 355.295 3.895 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc3ccccn23)N1 587767298 AIYIGWUVKHWZSG-MGPLVRAMSA-N 360.230 3.860 0 1 FHAF CCOC(=O)C1(C)CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587793364 DPZRUPLDROKAAX-DTUOUAAVSA-N 370.262 3.681 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](O)C(C)(C)C2)N1 587835902 YOWYCYWTQTXRLX-ANTHHZPCSA-N 356.279 3.889 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CCCOC1 587862144 FSJLWNIXVDLMMW-LLVKDONJSA-N 354.328 3.644 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccncc2)no1 587872300 TXJXEVRBCVFMKN-UHFFFAOYSA-N 351.341 3.522 0 1 FHAF Fc1ccc2c(c1)-c1cc(n(C(=S)NCc3ccc4c(c3)OCO4)n1)O2 587876506 PYDAHEOUPLQREQ-UHFFFAOYSA-N 369.377 3.446 0 1 FHAF COc1ccc(C[C@H](C)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1OC 587926925 PWOHIHVNOYKIPN-LBPRGKRZSA-N 365.433 3.811 0 1 FHAF CCCS(=O)(=O)c1cccc([C@@H]2N[C@@H]3CC[C@@H]3c3ccc(OC)cc32)c1 962998995 XJRDMOBLDAQQJF-NRSPTQNISA-N 371.502 3.818 0 1 FHAF Oc1ccc2c(c1)[C@@H](c1ncc(-c3cccc(Br)c3)[nH]1)NCC2 963340012 DXBMGMZLWBWHHS-KRWDZBQOSA-N 370.250 3.780 0 1 FHAF CC(C)C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCC(=O)N(C)C 12027551 SMJVTXAOCGOCSF-SFHVURJKSA-N 355.482 3.508 0 3 FHAF CC(C)(C)n1ncc2c(=O)n(Cc3cc(F)c(Cl)cc3Cl)cnc21 13831265 YTDLIRCYIUEHAB-UHFFFAOYSA-N 369.227 3.842 0 3 FHAF COc1cccc2nc(C[C@@H]3CN(CC(C)(C)C)CC[C@H]3CC(=O)O)[nH]c12 2356305814 JCTVSULGUWMMCR-LSDHHAIUSA-N 373.497 3.573 0 1 FHAF CN1CCN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)CC1 58506429 ROYMHWOULZALOP-IBGZPJMESA-N 367.493 3.543 0 1 FHAF CC(C)C(=O)N1CCC[C@]1(C)C(=O)N(C)Cc1cccc2ccccc12 61903808 YGHJNJCZGJXXTG-JOCHJYFZSA-N 352.478 3.835 0 3 FHAF CCNCCCNC1CCN(CC(c2ccccc2)c2ccccc2)CC1 28125512 OCBDOLYUNXGLHT-UHFFFAOYSA-N 365.565 3.872 0 1 FHAF CCN1CCC[C@@H](n2cc(S(=O)(=O)c3ccccc3)c3cccnc32)C1 28862286 ZTPFZEHJSYONHE-MRXNPFEDSA-N 369.490 3.526 0 1 FHAF COC(=O)C1=CC=C[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=C[C@H](OC)OC1=O 2356484052 HVIZCRZXNRVXKY-DGZPHPLVSA-N 374.477 3.950 0 1 FHAF C[C@@H]1CC=CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 2356550306 MAIXLHSZNVDUIV-LLVKDONJSA-N 352.814 3.928 0 1 FHAF C[C@@H]1OC(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@@H]1CC[C@@H](C(=O)CO)[C@]1(C)CC3 2356597220 ZKSNNZWTKZKEGU-KBJXJFDWSA-N 360.494 3.813 0 1 FHAF C[C@]1([C@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(F)cc2)C1=O 72178077 MATLSIAJUHWSQN-RHSMWYFYSA-N 365.813 3.620 0 1 FHAF CCCc1nc2c(NCc3ccccc3C)ncnc2n1C[C@@H]1CCCO1 82180474 HUQMCORBILUZCR-KRWDZBQOSA-N 365.481 3.878 0 1 FHAF CCn1c(=S)sc2c(NC(=O)Nc3ccccc3OC)ncnc21 45285649 NAUDPGQNBOAQIV-UHFFFAOYSA-N 361.452 3.895 0 1 FHAF COC(=O)[C@H]1[C@H](c2ccc(/C=C\Br)cc2)C[C@H]2CC[C@H]1N2C 253636473 QRRDJSMVPRYYBA-PIMSBRCLSA-N 364.283 3.792 0 1 FHAF NC(=S)N1Nc2onc(-c3ccccc3)c2[C@@H]1c1ccc(Cl)cc1 473119801 MOBSUSSADOZQJC-HNNXBMFYSA-N 356.838 3.971 0 1 FHAF COc1cccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12 587074056 PYSMSPWGYLTGNH-UHFFFAOYSA-N 353.813 3.840 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ncc1F)O2 587387435 RMGHNRZOGHBFBL-CYBMUJFWSA-N 351.175 3.580 0 1 FHAF COC(=O)c1cccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c12 587135643 ACBFCKOGONDPOJ-UHFFFAOYSA-N 357.385 3.915 0 1 FHAF Cc1cc(F)c2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 587132273 OZCOGDBMUAQRCZ-SNVBAGLBSA-N 355.360 3.980 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(F)cnc2[nH]1 586999794 CXKKDRFIFYOXGE-LBPRGKRZSA-N 374.217 3.583 0 1 FHAF Cc1n[nH]cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349481 UVRVKFOYEJVRQM-QUCCMNQESA-N 352.365 3.837 0 1 FHAF CC[C@@]1(c2cn[nH]c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350175 WUVLFIOUXHJQNG-QUCCMNQESA-N 352.365 3.919 0 1 FHAF Cc1noc([C@@H]2CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)n1 586989463 JSMDFMAETPBRLI-CQSZACIVSA-N 369.380 3.921 0 1 FHAF N=c1[nH]c2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)nc-2c(Cl)[nH]1 587113565 VEZXZQIUPBGNLA-UHFFFAOYSA-N 364.718 3.604 0 1 FHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](Cc2ccncc2)N1 963185723 SEOOINXYAYXNGJ-CHWSQXEVSA-N 370.758 3.637 0 1 FHAF CN1CCc2cnn(C)c2[C@]1(c1ccc(-c2ccccc2)cc1)[C@H]1CCCO1 963955263 OTHSGQHZSMGITK-VWNXMTODSA-N 373.500 3.998 0 1 FHAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)NC2CCCCC2)c1O 1772651148 VDCQUOVUILMCQL-UHFFFAOYSA-N 374.890 3.682 0 1 FHAF COc1cc(CO)ccc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772609871 ARNCDAPKPNQYIP-KRWDZBQOSA-N 369.442 3.918 0 1 FHAF Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNC[C@H](C)O 12751160 WYBQMECHWPPUCC-AWEZNQCLSA-N 357.404 3.596 0 3 FHAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)CNC2 13761431 LPVORCAPZWIQEM-IBGZPJMESA-N 350.506 3.893 0 1 FHAF CCC[C@@H](C(=O)Nc1c(C)cccc1C)N1C(=O)C(=O)c2ccccc21 206050484 QWHPJZAFMSGSRS-KRWDZBQOSA-N 350.418 3.640 0 3 FHAF O=C(NC1CCCC1)c1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1 167691433 GLLWZOUOQKGMEZ-UHFFFAOYSA-N 372.432 3.687 0 1 FHAF OC1(CNCc2ccnc(-c3ccc(C(F)(F)F)cc3)n2)CCCCC1 204416991 PROHWXDEEQGMGG-UHFFFAOYSA-N 365.399 3.947 0 1 FHAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1COc2ncccc21 205614783 MJUQXVFIESWKTR-NSHDSACASA-N 356.731 3.546 0 1 FHAF COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 2482340 RXZBBCADRDFRFT-UHFFFAOYSA-N 360.410 3.976 0 1 FHAF COc1ccc2[nH]cc(CCNc3cc(-c4c(C)noc4C)ncn3)c2c1 4266462 FJVAQLLFUVJPFW-UHFFFAOYSA-N 363.421 3.893 0 1 FHAF CC(C)(C)NC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C 11592663 DBEPLOCGEIEOCV-PTEKMSDPSA-N 372.553 3.815 0 1 FHAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@H]([C@@H](C)C(=O)NC1CCCC1)C2 25206704 PDEJFNCQEJWTPK-ZBFHGGJFSA-N 373.493 3.567 0 1 FHAF biogenic COc1cc([C@@H]2CN=C(c3ccc4[nH]ccc4c3)O2)cc(OC)c1OC 27517499 AZEJWYPFPRDKSL-SFHVURJKSA-N 352.390 3.712 0 1 FHAF COc1ccc(CN2CCO[C@]3(C2)CC(C)(C)Oc2ccccc23)cc1 40425359 XCLFRXFWVWXROF-QFIPXVFZSA-N 353.462 3.984 0 1 FHAF O=C([C@H]1C[C@@H]1c1ccc(N2CCOCC2)nc1)C12CC3CC(CC(C3)C1)C2 43018891 SUCUNCCEKWWUHL-NDFPQJHWSA-N 366.505 3.807 0 1 FHAF O=C(Oc1ccc(F)cc1OC(=O)c1cccc(O)c1)c1cccc(O)c1 49071469 QFLSKKMXYFXRRU-UHFFFAOYSA-N 368.316 3.675 0 1 FHAF Fc1ccc(CNc2ncnc3c2nc(C2CC2)n3C[C@@H]2CCCO2)cc1 82186039 JDMKWIMPNDPOEW-INIZCTEOSA-N 367.428 3.634 0 1 FHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cc3ccccn3c2)n1 142077293 AXOONVKWXWKGEX-RHSMWYFYSA-N 365.437 3.884 0 1 FHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)cc(OC)c2[nH]1 586963097 KCKRKTGJLSMMOG-CYBMUJFWSA-N 360.439 3.628 0 1 FHAF N[C@@H](Cc1cccc(Br)c1)c1nc2c(Cl)ccnc2[nH]1 586983856 KCKIIMHSCZRPGC-NSHDSACASA-N 351.635 3.616 0 1 FHAF CCn1cc(Br)c(Cc2nc3ccc(OC(C)C)cc3[nH]2)n1 587000038 KGNKXZLXFQRLBN-UHFFFAOYSA-N 363.259 3.920 0 1 FHAF Fc1ncc(Br)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587178144 RTFKPTMDFOPMOR-UHFFFAOYSA-N 361.096 3.940 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(Cc3cccc(Br)c3C1)O2 587370647 HBXQUXNNFKQSKC-GOSISDBHSA-N 358.235 3.843 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N[C@@H](C)c1ccccc1)O2 587386395 ITRMVLWOJGWXNA-QKKBWIMNSA-N 352.434 3.569 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CCCN1C(=O)OC(C)(C)C)O2 587397307 ZOSYWFWXEUMZIC-UZLBHIALSA-N 360.454 3.701 0 1 FHAF Cn1cnc(Br)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497118 KHOOMLGGGJTEAX-AWEZNQCLSA-N 361.239 3.768 0 1 FHAF C[C@]1(Cn2cnc3ccccc3c2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587518249 DIVCGSGBFZBGOY-HSZRJFAPSA-N 374.440 3.699 0 1 FHAF CCc1nccn1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578153 QKVBESQZDGSXQZ-NQIIRXRSSA-N 364.401 3.572 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Cl)cn2)N1 587703199 GABNAFJISZHPTQ-VXJOIVPMSA-N 370.653 3.829 0 1 FHAF CCCn1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587763474 JMKOMDVYIOEBSV-HWPZZCPQSA-N 352.251 3.818 0 1 FHAF CCOc1ccc(OCC)c(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)c1 587778178 KQDRPJWMMXVWGP-UHFFFAOYSA-N 370.405 3.823 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](O)C2(C)C)N1 587823081 SGIWKONNHQPNEO-GLZQIGESSA-N 356.279 3.889 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)OCCO3)N1 587837346 FZRLNLYHIQYDLC-NSHDSACASA-N 370.262 3.635 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2csc(/C=C(/N)c3ccccc3)n2)cc1 587923965 VKAKIMOXNIGGPS-LFIBNONCSA-N 371.487 3.638 0 1 FHAF COc1cnc2c(c1)[C@]1(CCC2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962566929 JLNPDECBOODWOO-RCDICMHDSA-N 368.477 3.564 0 1 FHAF C[C@]1(CC(=O)c2ccccc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962773526 XASBFUNKRVUCEC-QFBILLFUSA-N 361.363 3.821 0 1 FHAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)c2c(F)cccc2C[C@@H]2CCCN21 963094277 LSOKVKBZMPSEFF-JTSKRJEESA-N 366.436 3.831 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCCCc2ccc(N)cc21 963634620 KYWRPWCBXNQOOF-PEBXRYMYSA-N 352.478 3.790 0 1 FHAF COc1ccc(NC(=O)C2CCN(c3ncccc3C)CC2)cc1Cl 1857547956 LYNICYGLTYJRMV-UHFFFAOYSA-N 359.857 3.907 0 1 FHAF CCCCNC(=O)c1c(NC(=O)c2cc(F)ccc2C)nc2ccccn12 1857601723 NJJJKARLBYDWJP-UHFFFAOYSA-N 368.412 3.564 0 1 FHAF COc1cc(C(=O)c2cnn(-c3ccc(C)cc3C)c2)cc(OC)c1OC 1857771325 NSWAORVVZXYXQP-UHFFFAOYSA-N 366.417 3.746 0 1 FHAF CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)cc1 852734 XVPGMZXAKDYHBL-SFHVURJKSA-N 354.406 3.687 0 3 FHAF COc1ccc(C2=NO[C@](C)(c3nnc(-c4ccc(F)cc4)o3)C2)cc1 13478361 FYDJYLBKWFITBV-IBGZPJMESA-N 353.353 3.924 0 3 FHAF CC(C)/C=C/CN1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 14953894 VREHAFFPTIDCOP-AATRIKPKSA-N 356.510 3.978 0 3 FHAF O=S1(=O)CCOC[C@H](CC2CCCCC2)N1Cc1cccc(Cl)c1 15935257 QCXDGLLNHSMIBP-SFHVURJKSA-N 371.930 3.841 0 3 FHAF C[C@@]1(C(=O)NCCc2c[nH]c3ccccc23)CCN1CC1CCCCC1 61898643 QMOGJUXIMUPKIX-QFIPXVFZSA-N 353.510 3.871 0 3 FHAF CC[C@H](CO)Oc1cc(NCc2cccc(N)c2)c2ncn(C(C)C)c2c1 95570596 HNCBDJHKSPAOEH-QGZVFWFLSA-N 368.481 3.961 0 3 FHAF CN(C)CCN1C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O 263591484 TZYDTPVLMWSHME-GJUOTTCGSA-N 374.569 3.658 0 3 FHAF O=C1NNC(c2ccc(Br)cc2)=C[C@H]1c1c[nH]c2ccccc12 2497347 CJDRMKMEDVDIFP-AWEZNQCLSA-N 368.234 3.690 0 1 FHAF COc1ccc(C(=O)[C@@H](C)[C@H](C)C(=O)c2ccc3c(c2)OCO3)cc1OC 14760169 AHYFOLSREXSDSJ-STQMWFEESA-N 370.401 3.770 0 1 FHAF biogenic COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc2[nH]c(=S)[nH]c2c1 26380580 FGLUUJWDJPTNAY-WTNDLDAUSA-N 373.434 3.647 0 1 FHAF O=S(=O)(Cc1ccc(-c2ccccc2)cc1)NCCCCc1c[nH]cn1 26837612 CXOGPHLZYDQGML-UHFFFAOYSA-N 369.490 3.519 0 1 FHAF CCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc(C(C)=O)c1N 27898112 OAHSVNWRKLGEFF-UHFFFAOYSA-N 357.406 3.710 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3ccncc3)cc2)c2ccsc2c1=O 49111544 WXJVRYWRJJUUAM-UHFFFAOYSA-N 362.410 3.872 0 1 FHAF C[C@@H](O)CNCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O 72113551 TUIHEKVHXMMGJQ-GFCCVEGCSA-N 370.836 3.724 0 1 FHAF COc1cc(C)c2nc3[nH]nc(C)c3c([C@@H](O)c3ccc(F)cc3)c2c1 73199091 LIOALESSXWPFLD-IBGZPJMESA-N 351.381 3.957 0 1 FHAF CC(C)CNc1ncnc2c1nc(-c1cccs1)n2C[C@@H]1CCCO1 82178035 YMVFLPDGHCEWEF-ZDUSSCGKSA-N 357.483 3.802 0 1 FHAF CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cc2s1 96283498 WUEXEUOEWYMTKK-UHFFFAOYSA-N 352.341 3.918 0 1 FHAF Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(O)nc(=O)n3C)cc1 103663584 HGRFOEUOFSYIEX-OAHLLOKOSA-N 365.433 3.644 0 1 FHAF COC[C@@H](OC(C)=O)[C@@H]1OCc2ccccc2[C@@H]1/C=C\c1ccccc1 169354446 SSAJXUFJYJHGDQ-GKWVDLHYSA-N 352.430 3.961 0 1 FHAF CCNc1nc(-c2cccnc2)c(-c2ccnc(N3CCCC3)n2)s1 299850248 TUOPGPYUKAHHCU-UHFFFAOYSA-N 352.467 3.694 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 586951347 XGEIINRLUWTWAO-UHFFFAOYSA-N 373.331 3.759 0 1 FHAF COc1cc(/C=C\c2nc3ccc(CO)cc3[nH]2)ccc1Br 586977934 WBILWKMDRDFMBG-DAXSKMNVSA-N 359.223 3.997 0 1 FHAF Fc1cnc(Br)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc12 587016513 MLUFSZUHSXDHLP-MRVPVSSYSA-N 369.219 3.835 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cncc(Cl)c2[nH]1 587043584 SEPYPLHKXGYDFJ-GFCCVEGCSA-N 365.245 3.920 0 1 FHAF Cc1nn(-c2cccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)c(C)c1Cl 587064572 DGSNDTOFKBCQEQ-UHFFFAOYSA-N 364.840 3.970 0 1 FHAF COc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cn1 587115765 AMLKEXHSVCKGQI-UHFFFAOYSA-N 373.132 3.810 0 1 FHAF N[C@H](c1nc2ccc(Br)c(F)c2[nH]1)c1ccc(F)cc1F 587150098 KFTHOMZPCPRWBH-LBPRGKRZSA-N 356.145 3.791 0 1 FHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(F)c(C)c3[nH]2)cc1 587228125 GLRDWNSSQARCIH-UHFFFAOYSA-N 370.384 3.509 0 1 FHAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587250711 XUMYRMFABYEVAJ-UHFFFAOYSA-N 371.396 3.665 0 1 FHAF N[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C1CC1 587255303 CQBJVXATHBIYKY-SECBINFHSA-N 350.138 3.634 0 1 FHAF C[C@]1(c2cccnc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340941 XBQZWFUPTYDALM-WIYYLYMNSA-N 364.376 3.783 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1[C@@H](CC(C)C)C(=O)O)O2 587389728 IZJOEERIJXBGQS-FUHWJXTLSA-N 356.422 3.757 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC4(C[C@H]3C1)OCC(C)(C)CO4)O2 587406217 AFSGCHGCBDZHFX-PBFBIOBFSA-N 371.477 3.871 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2[nH]1 587588368 KCPDSWWIFLFWGR-PXNSSMCTSA-N 358.353 3.971 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)cnn2C)N1 587697722 OXUXKGSJSARHTA-ANRSDYALSA-N 372.669 3.773 0 1 FHAF Cc1nn(C)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756473 LMDBPMWAWCUNHA-XYZCENFISA-N 366.278 3.736 0 1 FHAF CC(=O)c1ccc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962761846 HLDYMNJSANIHAO-SWLSCSKDSA-N 353.365 3.686 0 1 FHAF CCOC(=O)[C@@]1([C@@H]2CCC(C)(C)CC2=O)NCCc2cccc(Cl)c21 963391045 PAJCLMPNJGXNBO-VLIAUNLRSA-N 363.885 3.640 0 1 FHAF CCOC(=O)c1csc(-c2csc(-c3csc([C@H](C)N)n3)n2)n1 1772618753 XMBFYBGBSZAUOP-ZETCQYMHSA-N 366.493 3.587 0 1 FHAF COc1ccc(O)cc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772628252 ULJUWLNHGVXLHN-MRXNPFEDSA-N 357.337 3.802 0 1 FHAF CC(C)n1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21 1857589376 FCJGPRGQFLTRFM-UHFFFAOYSA-N 360.421 3.746 0 1 FHAF CNC(=O)c1cc(Oc2ccc(C3=NN[C@@H](c4ccccc4)C3)cc2)ccn1 1857646717 YKZLHXLTOUOHNC-LJQANCHMSA-N 372.428 3.672 0 1 FHAF C[C@H](O)[C@@H](CCc1ccc(C(F)(F)F)cc1)n1ccc2c(N)ncnc21 1857761805 NAGDJFIKVVIZKX-XHDPSFHLSA-N 364.371 3.587 0 1 FHAF O=C(Nc1ccccc1)C1CCN(c2nc3ccsc3c(=O)s2)CC1 2464029 XPJHLPVNMVZOBB-UHFFFAOYSA-N 371.487 3.573 0 1 FHAF CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC 101616388 AMDVXHRQEAMYFN-GROYHEBESA-N 372.425 3.577 0 1 FHAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCn1ccc2ccccc21 2356436615 SSKWKXBFZCRUBK-FPOVZHCZSA-N 353.510 3.754 0 1 FHAF COC(=O)C1=CO[C@H](C)[C@]2(C)CN3C=Cc4c([nH]c5ccccc45)[C]3C[C@@H]12 2356858081 IQXBTLFPLHDDSF-BUTRMIIQSA-N 363.437 3.836 0 1 FHAF CC(C)=CCOc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O 14728354 UIFXCAYUHZVWHR-GOSISDBHSA-N 356.374 3.855 0 1 FHAF biogenic Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCC[C@@H]4CCCC[C@@H]43)nc21 198482607 OHQZQEGFDROPEO-HOTGVXAUSA-N 356.514 3.940 0 1 FHAF CCOC(C(=O)OC[C@@H]1CCCN(C)C1)(c1ccccc1)c1ccccc1 45231108 XATPSNKTMXPJNE-LJQANCHMSA-N 367.489 3.852 0 1 FHAF CNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3ccc(F)c(Cl)c3)c2)n1 89469273 XECRYLRZIBUYOE-UHFFFAOYSA-N 373.819 3.544 0 1 FHAF Cc1ccnc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3cccc(Cl)c3)C2)c1 95589841 ALDADKORIIAEHP-IRXDYDNUSA-N 371.868 3.514 0 1 FHAF O=C1c2cc(O)cc(O)c2[C@@H](c2ccc(F)cc2)[C@@H]1c1cc(O)cc(O)c1 473083935 DIQSTGJEECYYAE-OALUTQOASA-N 366.344 3.760 0 1 FHAF C[C@@H](CN1C(=O)CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1cccc(Cl)c1 299847624 GTOBYXNRRUPZQS-GZIXRCOHSA-N 374.868 3.813 0 1 FHAF Cc1ccnc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 473104948 QMPKQXCCCBUHDD-CQSZACIVSA-N 366.396 3.526 0 1 FHAF O=C1c2cc(COc3ccccc3)nn2CCCN1c1ccc(F)cc1 653791833 CAWROKQLIKIEEA-UHFFFAOYSA-N 351.381 3.652 0 1 FHAF Cc1cccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c1C 587650834 UYXHBCFIARDAAB-UHFFFAOYSA-N 356.447 3.749 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2OCO3)N1 587834283 KPRBNYQVAJEJAA-FVMDXXJSSA-N 364.214 3.941 0 1 FHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C)c(C)c3[nH]2)cc1 586941156 PITSKRLEPPULGZ-KHPPLWFESA-N 355.463 3.578 0 1 FHAF CC(C)OC(=O)C1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CC(F)(F)C1 587131112 XYQXDBDESWKMCV-UHFFFAOYSA-N 364.179 3.883 0 1 FHAF CCOc1ccc(-c2nn(C(C)=O)c(=O)c3ccccc23)cc1OCC 587672391 VAURXJMXIRDNSY-UHFFFAOYSA-N 352.390 3.521 0 1 FHAF Cc1ncncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350855 YSMSAAJNVXVYDW-CTNGQTDRSA-N 364.376 3.904 0 1 FHAF COc1cc(C)nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587772827 PBNSKTLAYRKQME-VVVCHXIZSA-N 365.246 3.924 0 1 FHAF CC[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605610 AFSPKQRAZYDHPV-GHTZIAJQSA-N 354.402 3.929 0 1 FHAF COc1ccc(-c2nc3cccc(F)c3[nH]2)c(I)c1 587180149 NNNZMXKRINJVLJ-UHFFFAOYSA-N 368.149 3.982 0 1 FHAF Cc1cc(F)ccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587275729 FBUUSOIDXNNZPU-UHFFFAOYSA-N 364.170 3.761 0 1 FHAF O=S(=O)(O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052681 HYGNXZHJTINNCK-UHFFFAOYSA-N 373.821 3.921 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3OC(C)(C)O[C@H]32)N1 587837910 LIFRRHVLWLLIRE-DKNOUGMTSA-N 370.262 3.632 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cocn1 587864206 HCYVPUKTEHXAOK-UHFFFAOYSA-N 351.284 3.644 0 1 FHAF COc1ccc(-c2nc3cc(C)cnc3[nH]2)c(I)c1 587180468 REUREVFAGOPOJQ-UHFFFAOYSA-N 365.174 3.547 0 1 FHAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587770305 IOJBVQUVWQMCBJ-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF CCOC(=O)[C@@H]1C[C@]2(C=C1C)c1cccc(Br)c1CCN2C 963289686 QJDHHVXPLIHPPV-RDTXWAMCSA-N 364.283 3.662 0 1 FHAF COc1ccccc1C[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962978530 ROMLZLCRVIZIKR-UONOGXRCSA-N 367.779 3.510 0 1 FHAF Cc1ccnc2c1CCN[C@@H]2c1cccc2c1N(C(=O)OC(C)(C)C)CC2 963072729 UPZOYMPLFBQETP-LJQANCHMSA-N 365.477 3.923 0 1 FHAF N=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 1772597013 YIVVTHZPNWEOBV-UHFFFAOYSA-N 355.397 3.960 0 1 FHAF CC(C)C[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1 12466381 QQQVCZIXGCGPNO-GFCCVEGCSA-N 374.717 3.995 0 3 FHAF O=C(O)[C@@H]1CCCN(CCO[C@@H](c2ccc(Cl)cc2)c2ccco2)C1 13729438 XKMHAVSWNHJTSH-QAPCUYQASA-N 363.841 3.836 0 1 FHAF CCSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C 3784616 XLSFNDGKFXENKA-UHFFFAOYSA-N 368.458 3.633 0 1 FHAF CS(=O)(=O)c1cnc2c(c1)CC[C@@H](c1ccc(Cl)c(Cl)c1)O2 6019581 PLUZLNCQMIQXML-AWEZNQCLSA-N 358.246 3.858 0 1 FHAF COC(=O)c1ccc(Cc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1 13606191 JOUYFNVTNGRAQQ-UHFFFAOYSA-N 374.392 3.610 0 1 FHAF CN1[C@H]2CC[C@@H]1CN(CCOC(c1ccccc1)c1ccccc1)CC2 22940919 FKQLYFBPTBVTRD-FCHUYYIVSA-N 350.506 3.961 0 1 FHAF CO/C=C(/C(=O)OC)[C@H](C)[C@H](/C=C/c1ccc(Cl)c(OC)c1)OC 33955017 DPNYGWABRKPFDE-PQHZCZHCSA-N 354.830 3.716 0 1 FHAF C[C@@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)O 40393259 KADANUMXYOOTIX-SECBINFHSA-N 360.826 3.987 0 1 FHAF COc1ccc(CN[C@H]2CCCC[C@@H]2NCc2ccc(OC)cc2)cc1 66074813 NYHUNUXCWYCUNU-VXKWHMMOSA-N 354.494 3.894 0 1 FHAF C=CC1=C(C(=O)NCCc2cccc(F)c2)[C@@H](c2ccc(OC)cc2)OC1 73219521 NBIIDAIWQNEXBG-OAQYLSRUSA-N 367.420 3.747 0 1 FHAF Fc1ccc(Nc2cc(NCC3CCNCC3)nc3ccnn23)cc1Cl 95557500 IUSULHYDGWZKNL-UHFFFAOYSA-N 374.851 3.677 0 1 FHAF CC1CCC(N2C(=O)CC(=O)N(CCc3ccc(Cl)cc3)C2=O)CC1 101678277 CKZGPMLVLBAAHV-UHFFFAOYSA-N 362.857 3.642 0 1 FHAF Cc1ccc(Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)cc1 114108512 LRCKYYWVNDOFGU-OAQYLSRUSA-N 368.456 3.906 0 1 FHAF Cc1ccc(CCC(C)(C)O)cc1-c1nnc2c(C)nc3cccnc3n12 145739258 GJCCOLVAOHILDT-UHFFFAOYSA-N 361.449 3.660 0 1 FHAF Cc1nn(Cc2ccc(NC(=O)C3CCCCC3)cc2)c(C)c1CC(=O)O 169704002 QLURBWQSDAKYAL-UHFFFAOYSA-N 369.465 3.694 0 1 FHAF CC(=O)OC/C=C(/C)C(=O)O[C@@H](C)c1ccc2c(c1)C(=O)CC(C)(C)O2 238757114 OBOGYRDZWDMANK-FSBNRTBOSA-N 360.406 3.544 0 1 FHAF CC(=O)NC(C)(C)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988570 MGUXKRPKVIIQSD-UHFFFAOYSA-N 360.413 3.609 0 1 FHAF COc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1 586997907 DWPBCSYKWSXDOG-DUXPYHPUSA-N 374.194 3.628 0 1 FHAF Cc1ccnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 586998816 PCWOOINBACRADS-IHWYPQMZSA-N 358.195 3.928 0 1 FHAF COc1nccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082893 YHVXMBFWXVURLX-UHFFFAOYSA-N 355.785 3.520 0 1 FHAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(O)nc(S)nc2[nH]1 587114568 UKYJOEDQLBQCIQ-ZETCQYMHSA-N 354.357 3.712 0 1 FHAF Cc1ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(F)c1 587146724 UEBRWCBTAIXKOL-UHFFFAOYSA-N 358.316 3.971 0 1 FHAF Cc1cc(F)c2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 587193471 BBFLGLQHELTUGO-CYBMUJFWSA-N 350.438 3.528 0 1 FHAF CC(C)(C)OC(=O)N1CCOC[C@H]1Cc1cc2c3c(cccc3n1)CC2 587212757 QSCIUYHMQJGJPY-QGZVFWFLSA-N 354.450 3.512 0 1 FHAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2cc(C(=O)O)oc12 587413910 UATOXAVMNGDQDG-MRXNPFEDSA-N 367.357 3.737 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(C[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587428582 KHGUGHRIDZGKOB-UHBVIIIMSA-N 361.438 3.505 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cnn(C)c4)s1)[C@@H](C2)C3=O 587451290 MPRQCCBHBRSZRM-ORAYPTAESA-N 352.415 3.646 0 1 FHAF O=C1C[C@H](c2ncc(C3OCCO3)s2)Oc2c1ccc1c2CCCC1 587534093 ASSATPYZQBUWPN-OAHLLOKOSA-N 357.431 3.774 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)c(Cl)c1 587547812 NLOVKFCVVKFASX-MAUKXSAKSA-N 369.760 3.849 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN[C@@H]1CCCC[C@@H]12 587597182 UEQCNTMRHURMCN-BXYJTDFISA-N 365.429 3.645 0 1 FHAF COc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1OC(C)C 587652693 ZIQCZBZDULIUMW-UHFFFAOYSA-N 372.808 3.534 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncc(F)c2)N1 587734345 QTONZZZJEUEEOM-JDNHERCYSA-N 353.210 3.920 0 1 FHAF Cc1ccc([C@@]2(CN)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587749652 PXVNYPKCWMAUKP-KPZWWZAWSA-N 363.274 3.633 0 1 FHAF CCN1CC[C@]2(C[C@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587762853 UWHCZYIAIYYFOM-PSTGCABASA-N 355.295 3.822 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ncccc3C2)N1 587779561 UAEWKGHZPHYBMD-ZMZPIMSZSA-N 361.258 3.902 0 1 FHAF Cc1n[nH]c(C)c1C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587801912 IDUINHKGIKAZBA-VVVCHXIZSA-N 366.278 3.920 0 1 FHAF CSc1nccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587842249 DHSRJTKPNJOBKQ-RTHLEPHNSA-N 368.275 3.724 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3c(n2)SCC3)N1 587854328 DIRSQBKTFYKMGT-RTHLEPHNSA-N 368.275 3.514 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCN1CCOCC1 587860030 OOVVWIYYWYLLSW-UHFFFAOYSA-N 370.280 3.588 0 1 FHAF Cc1[nH]nc2c1[C@H](c1ccc(Cl)c(Cl)c1)c1c(O)nc(O)nc1O2 1772602306 VWSKRHGCNNDDJD-JTQLQIEISA-N 365.176 3.512 0 1 FHAF CC(=O)[C@@H]1[C@@H](N2CC2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857622481 YKAAPHAUSMBTTG-PVRUNILOSA-N 357.538 3.809 0 1 FHAF CCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@@H](CC)C2 1857650588 WOSXDWDYANCLKF-AWEZNQCLSA-N 371.433 3.908 0 1 FHAF Cc1ccc2c([C@@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)cc(=O)oc2c1 1857749049 WNXJHXISOKDIOI-HNNXBMFYSA-N 374.348 3.649 0 1 FHAF OC[C@@H](N=c1nc[nH]c2sc(-c3ccc(O)cc3)cc12)c1ccccc1 1857759133 FUKVPKLCQOMZPV-QGZVFWFLSA-N 363.442 3.631 0 1 FHAF COc1ccc([C@](C)(O)c2nc(-c3cccnc3)nc3ccccc23)cc1 1911574492 XOTRVGYKKAEDCT-QFIPXVFZSA-N 357.413 3.956 0 1 FHAF Cn1cc(CNC[C@@H]2Cn3c(-c4ccccc4)cnc3CO2)c2ccccc21 2356299720 NMWGYGZGDXZKEH-LJQANCHMSA-N 372.472 3.730 0 1 FHAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@H]2CC[C@H]3C[C@]21C[C@]3(C)O 2356554938 CIIDMMPURFCERH-OEOIFFENSA-N 364.526 3.684 0 1 FHAF O=C(O)CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 882169 BUXNRXGMCMJEOJ-UHFFFAOYSA-N 356.403 3.801 0 3 FHAF C[C@@H]1CCCN(C(=O)CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)C1 5625713 IUKOSEPLJGRTJW-CQSZACIVSA-N 374.916 3.654 0 3 FHAF CN[C@H]1C[C@H]2c3cc(-c4ccccc4C)ccc3CCN2C[C@H]1[C@H](C)O 203467248 CBUINMSCFDELBS-KKPKCPPISA-N 350.506 3.550 0 3 FHAF O=C1CN(C(=O)c2ccco2)[C@@H](c2ccccc2)c2cc(F)ccc2N1 2456718 HVFPJUOUOUTMLV-IBGZPJMESA-N 350.349 3.603 0 1 FHAF CSc1cccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 3906290 BRLKBSALTPHKRW-QGZVFWFLSA-N 356.447 3.778 0 1 FHAF CC1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 8661194 FGZDQVUMKWDSPP-OALUTQOASA-N 368.502 3.917 0 1 FHAF CC(C)CN1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 103231665 ATLIUJIEFAFYBZ-FQEVSTJZSA-N 371.912 3.667 0 1 FHAF Cc1cc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1Cl 28397347 PVCLTPCNVGGBGB-UHFFFAOYSA-N 373.888 3.916 0 1 FHAF Cc1cnsc1[C@H](c1ccc(C(C)C)cc1)N1CCN(C[C@@H](C)O)CC1 28253943 XYWOULVRZHKIPZ-XLIONFOSSA-N 373.566 3.663 0 1 FHAF CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl 28644680 SKWJHNLIUJBFAF-UHFFFAOYSA-N 350.813 3.632 0 1 FHAF CNc1nc2cc(-c3cccc(CNC(C)=O)c3)sc2n2c(C)cnc12 28950763 IPILWECSKGVOIC-UHFFFAOYSA-N 365.462 3.597 0 1 FHAF CC(=O)c1ccc(O[C@@]2(C)CCN(Cc3ccc4c(c3)OCCO4)C2)cc1 61908098 WSBXRHGAPKITNZ-QFIPXVFZSA-N 367.445 3.704 0 3 FHAF COc1ccc([C@]2(c3cccc(O)c3)C(=O)Nc3c2ccc(F)c3F)cc1 64548508 KGKGCYLZAHSBTR-OAQYLSRUSA-N 367.351 3.966 0 1 FHAF Cc1cc(NCC(C)(C)CN(C)C)n2nc(-c3cccc(F)c3)cc2n1 72101239 XXEIQHVCLCOEPS-UHFFFAOYSA-N 355.461 3.844 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1-c1ccoc1C 223414500 UFARADZVZUVRAW-UHFFFAOYSA-N 358.401 3.788 0 1 FHAF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)[C@@H](C)c1ccc(F)cc1Cl 40873816 LGURHLFOVULKNO-MEDUHNTESA-N 374.861 3.997 0 1 FHAF CSc1ccc([C@@H](O)c2nnc(Nc3ccc4c(c3)OCO4)s2)cc1 82078340 WMIMYCMXOBRANW-OAHLLOKOSA-N 373.459 3.814 0 1 FHAF CC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C[C@@H]1C 263590479 LJJAHPHAPWPSHP-DQLDELGASA-N 371.502 3.972 0 3 FHAF O=C(c1cc2cccnc2n1-c1ccc(Cl)c(F)c1)N1CC(F)(F)C1 2382224514 TVISHRILBQRJIP-UHFFFAOYSA-N 365.742 3.909 0 1 FHAF c1cc(-c2cc3c(ncn3CC3CC3)c(N3CCOCC3)n2)c2cc[nH]c2c1 299821962 CSHYMHUHOZSPJJ-UHFFFAOYSA-N 373.460 3.826 0 1 FHAF NC(=O)C[C@@H](C1CCCCC1)n1cc(Nc2ncnc3ccccc23)cn1 653847628 FIIIQUYOJPPRNY-SFHVURJKSA-N 364.453 3.567 0 1 FHAF O=c1c2c([nH]c3ccccc13)CN(Cc1ccc(OC(F)(F)F)cc1)C2 653782576 KVQSCCZFXYKABM-UHFFFAOYSA-N 360.335 3.943 0 1 FHAF CCCN1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@@]12OC(=O)c1ccccc12 653851591 YQIGBBYNOZXIQS-LJQANCHMSA-N 370.792 3.542 0 1 FHAF Cc1[nH]nc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595002 MDDVCVUVCZBCAT-WIYYLYMNSA-N 362.385 3.617 0 1 FHAF CN1CCN(c2ccc3nc([C@@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3c2)CC1 587150312 CEQOYVMKASMQHG-HZPDHXFCSA-N 368.431 3.864 0 1 FHAF CN1CCN(c2ccc3nc(Cc4ccccc4C(F)(F)F)[nH]c3c2)CC1 587107467 KJEBUIUAEWMTJR-UHFFFAOYSA-N 374.410 3.924 0 1 FHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587174254 IBUBSMWVNZUZDL-LLVKDONJSA-N 374.322 3.747 0 1 FHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3c(Cl)ccnc3[nH]2)C(F)(F)C1 587131610 AANIRFACKLNMGN-MRVPVSSYSA-N 358.776 3.581 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)c3ccccc3)CC1)O2 587393411 IBNLCKFPWXPWOT-JOCHJYFZSA-N 364.445 3.608 0 1 FHAF COCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587827501 JTFNEOUXYJGVMR-FVMDXXJSSA-N 354.219 3.951 0 1 FHAF CCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352841 YJTCPSQAHXJHEU-TZIWHRDSSA-N 372.392 3.992 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2N)N1 587731948 MEFZZWBPBXCHSL-BCTVWOGZSA-N 353.210 3.933 0 1 FHAF Cc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587592332 GQTILUUABZAXPR-AVRDEDQJSA-N 373.364 3.510 0 1 FHAF Oc1nc(O)c2ccc(-c3ccccc3OCc3cccc(F)c3)nc2n1 587368945 XVNHTFRUXLUQAJ-UHFFFAOYSA-N 363.348 3.821 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc[nH]c2n1 587591022 UBFXDNNZAHYZOI-PXNSSMCTSA-N 358.353 3.971 0 1 FHAF COC(=O)c1cccc2[nH]cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c12 587397068 RONOCJLEFXOUCD-QGZVFWFLSA-N 350.374 3.552 0 1 FHAF C[C@]1(CCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348549 DIHXWHPEJSCCBE-AZUAARDMSA-N 358.365 3.904 0 1 FHAF CCOC(=O)CC[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 587415358 ZDDHBIFJQAKADD-IBGZPJMESA-N 359.447 3.843 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2N)N1 587728927 UIJRHKCKTWGYPJ-BCTVWOGZSA-N 353.210 3.933 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3cncn3)cc1Cl)O2 587377759 YLFBHOJKSQRVQU-LJQANCHMSA-N 368.824 3.692 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(C(C)(C)C)cc21 587398962 GYOOBGUILZJMAV-NRFANRHFSA-N 350.418 3.688 0 1 FHAF CC[C@@]1(c2cnn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587762128 DKANVQOQTOKLKY-BMLIUANNSA-N 366.278 3.818 0 1 FHAF Cc1cnc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587768943 FEPBPLMJKGVBLL-XLFHBGCDSA-N 364.262 3.793 0 1 FHAF Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1NS(C)(=O)=O 31110362 LKEIICLJVBHILE-UHFFFAOYSA-N 372.368 3.638 0 1 FHAF O[C@@]1(c2ccc(OCc3ccccc3)cc2)c2ccccc2C2=NCCCN21 13491065 FKXRLYJEPQKQRH-DEOSSOPVSA-N 370.452 3.925 0 1 FHAF C[C@H](NC(=O)Oc1cccc2c1OC[C@H]1CCN(C)[C@@H]21)c1ccccc1 169360183 GDJCEUYIQJRPFO-ZSZQSSIHSA-N 352.434 3.921 0 1 FHAF CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@H](C)N[C@H]2C 1857584124 LEAHJAIHLLRHKK-IUCAKERBSA-N 358.492 3.973 0 1 FHAF O=C(O)[C@@H]1CCCN(CCOC=C(c2ccccc2)c2ccccc2)C1 3778935 QXZRDASZZSRLBB-HXUWFJFHSA-N 351.446 3.889 0 1 FHAF CCOc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCCC[C@@H]23)cc1 6769462 MHPBXPOESZCFMH-VQTJNVASSA-N 364.445 3.816 0 1 FHAF COC(=O)N1CCc2c(Cl)c(O)c(OC)c3c2[C@H]1Cc1ccccc1-3 13481267 FFSNCZHOAOMPLR-CYBMUJFWSA-N 359.809 3.943 0 1 FHAF endogenous,in-man CO[C@]1(C)C[C@@H]2N(C(=O)c3ccccc3)N=C(c3ccccc3)C[C@@]2(C)O1 17212996 NLFKESWQOLYPFY-NNWRFLSQSA-N 364.445 3.847 0 1 FHAF COC(=O)c1sccc1NC(=O)c1noc2c1CCc1sccc1-2 21538014 PRGGSVXBDCMYBE-UHFFFAOYSA-N 360.416 3.602 0 1 FHAF CCC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1 28237670 NIDNSGGKXKJNLV-UHFFFAOYSA-N 365.949 3.795 0 1 FHAF C[C@H]1CN(CC(=O)O)[C@H](C)CN1c1ccccc1Sc1ccc(F)cc1 28352112 MKKFPVZTAAVTDJ-CABCVRRESA-N 374.481 3.961 0 1 FHAF C[C@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(C(F)(F)F)=NN1 28710425 XEXAEFSDTXTJCE-LLVKDONJSA-N 373.684 3.968 0 1 FHAF COC(=O)CCSc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1 28965741 RWXGGIYJYAMLQN-UHFFFAOYSA-N 355.463 3.723 0 1 FHAF O=C(c1ccc2c(c1)[C@@H](C(=O)Nc1ccccc1)C(=O)O2)c1cccs1 29399528 NQMUGRZWPSEZGO-KRWDZBQOSA-N 363.394 3.620 0 1 FHAF CCOC(=O)Nc1ccc(N2CCN(CCc3ccccc3)CC2)cc1 40892138 YTXNYIGAWOEJRG-UHFFFAOYSA-N 353.466 3.620 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)nc2)c2c(F)cccc2c1=O 45374475 FMOKNFMLRHOHKO-UHFFFAOYSA-N 374.371 3.949 0 1 FHAF COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 53294126 BAHHPLVRJISHAN-UHFFFAOYSA-N 359.382 3.655 0 1 FHAF O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)CN1c1ccccc1 64559729 KIWCYIQJEGJEPP-UHFFFAOYSA-N 366.396 3.698 0 1 FHAF COc1cccc(NC(=O)c2cnc(N3CCCC3)c(C(F)(F)F)c2)c1 66074142 DBULYIKPPAKMMN-UHFFFAOYSA-N 365.355 3.962 0 1 FHAF Cc1cc(OCC(F)(F)F)cc(C[S@](=O)c2nc3ccccc3[nH]2)n1 71789444 VTTMKCKNXNGZDV-RUZDIDTESA-N 369.368 3.515 0 1 FHAF c1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3n2)cc1 73129806 ODOVVMAMPYGRFL-UHFFFAOYSA-N 355.445 3.702 0 1 FHAF C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(C(F)(F)F)c1O2 84672067 UWFPKTAVBDMQOD-JEIZZZKLSA-N 358.356 3.894 0 1 FHAF O=S(=O)(c1ccc(Oc2ccc(Cl)cc2O)cc1)N1CCCC1 95603319 VSQUKPAKDROVQV-UHFFFAOYSA-N 353.827 3.622 0 1 FHAF O=c1c(O)c(Nc2cc(Cl)c(Oc3ccc(O)cc3)c(Cl)c2)c1=O 101624931 QKNBIFZGIXRUTN-UHFFFAOYSA-N 366.156 3.537 0 1 FHAF CO/C(O)=C1\C(C)=Nc2nc(-c3ccccc3)nn2[C@@H]1c1ccc(C)o1 101664635 QNERVYYPLRJEBR-YWJBVVMDSA-N 350.378 3.958 0 1 FHAF C[C@@H]1CC[C@H](Nc2ncc(C(N)=O)c3sc(-c4ccccc4)cc23)CN1 136894933 YOBHCQJXGBXPSY-OCCSQVGLSA-N 366.490 3.615 0 1 FHAF N[C@H](Cc1nc2cncc(Cl)c2[nH]1)c1ccc(Br)cc1 586997290 POSHYIHOZMNSHY-LLVKDONJSA-N 351.635 3.616 0 1 FHAF Cc1ccnn1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342488 NVCIYDLOMLTADZ-CTNGQTDRSA-N 366.392 3.854 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)cc1N)O2 587377940 QNPJFOKCKKVGJJ-KRWDZBQOSA-N 361.239 3.803 0 1 FHAF CCc1ccccc1NC(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426998 BXVVLYZSMYMGIV-OPAMFIHVSA-N 365.429 3.793 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cccnc4O)c1)[C@@H](C2)C3=O 587436401 PSKBQVKKTMDLHL-UWJYYQICSA-N 359.381 3.952 0 1 FHAF Cn1ncc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587579597 FAEBPSNCIZQJSW-SIKLNZKXSA-N 372.380 3.982 0 1 FHAF COC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591878 FLDDYAYJQDVMCU-SIKLNZKXSA-N 362.381 3.896 0 1 FHAF COC(C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC 587594011 JZGIYEVHUYLGCF-GHTZIAJQSA-N 372.417 3.758 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H]2CCCCN2)N1 587799077 WCEDGJNHJTUTSQ-BTJLNZGRSA-N 355.295 3.870 0 1 FHAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccncc2F)N1 963190753 WTVZVYKKWXYLMJ-KBPBESRZSA-N 374.721 3.581 0 1 FHAF COc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc2n1 1857544967 QWKVPQREGQLXFO-CQSZACIVSA-N 353.397 3.730 0 1 FHAF CCC(CC)c1cc([C@@H]2CN3CC[C@H]2C[C@@H]3CO)nc(-c2ccncc2)n1 2356424950 AFYSCWJSGIIGGW-IPMKNSEASA-N 366.509 3.612 0 1 FHAF COc1cc(O)c(C[C@H](C)[C@@H](C)Cc2cc3c(cc2O)OCO3)cc1OC 2356549672 HWEDUYYNFQNDIU-STQMWFEESA-N 374.433 3.901 0 1 FHAF NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc2ccccc2c1 199710881 BMDRVQGXMMVQIS-UHFFFAOYSA-N 355.397 3.747 0 3 FHAF CC(C)(C)C(=O)N1[C@H](C(=O)O)Cc2ccccc2[C@@H]1Cc1ccccc1 5713537 CMKGUUIBQJOJPS-OALUTQOASA-N 351.446 3.854 0 1 FHAF O=C(Nc1ccc2c(c1)CNC2)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 13534223 AMOUHXSQTRSDEO-UTKZUKDTSA-N 372.415 3.552 0 1 FHAF CC(C)=CCC1(CC=C(C)C)C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O 13684040 NHPPQDVFIWYUPY-OAQYLSRUSA-N 366.498 3.953 0 1 FHAF COC(=O)CCc1ccc(Oc2ccc(CCC(=O)OC)cc2OC)cc1 14620418 SYWGPADQOCSBBG-UHFFFAOYSA-N 372.417 3.699 0 1 FHAF biogenic COc1cc2c(c3c1C[C@H](O)[C@@H](c1ccc(O)cc1)O3)CCC(C)(C)O2 14723954 SCBLRKVGVKFQKS-QFBILLFUSA-N 356.418 3.542 0 1 FHAF biogenic NC[C@@H]1[C@@H](c2ccccc2)[C@@]1(C(=O)N1CCc2ccccc21)c1ccccc1 29046905 ZAKNFBUXJCNYEX-GZGNHOFSSA-N 368.480 3.886 0 1 FHAF Cn1c(CN2C[C@@H]3C(COc4ccc(Cl)cc4)[C@@H]3C2)nc2ccccc21 40917272 ARALLKJJFONPRY-JWTNVVGKSA-N 367.880 3.984 0 1 FHAF COc1ccc(OC)c(-c2cc(NCCc3ccccc3OC)ncn2)c1 82161119 YMAURTCLSXKNCJ-UHFFFAOYSA-N 365.433 3.824 0 1 FHAF O=C1CCC[C@@H]2CC[C@@](Cc3ccccc3)(C(=O)OCc3ccccc3)N12 84671242 DHYDOGGNCHCNJT-NFBKMPQASA-N 363.457 3.886 0 1 FHAF COc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1c(F)cccc1F 100018482 OZKYCVOYECPCLK-UHFFFAOYSA-N 371.343 3.635 0 1 FHAF CNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 101105567 SGHKXPYOPVKZJP-DWLFOUALSA-N 354.494 3.873 0 1 FHAF CCCCc1ccc(C(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cc1 149104080 KYAGDWQXJICEFO-OAQYLSRUSA-N 364.489 3.953 0 1 FHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](O)(c1cccc(Cl)c1)C(=O)N2 219504533 LAVGVPLHLCEUFA-LJQANCHMSA-N 354.793 3.800 0 1 FHAF O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1CCOc2ncsc21 220850950 WTFZHHGXFICVFO-NSHDSACASA-N 357.262 3.675 0 1 FHAF COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CCOC5)[nH]c4c3)o2)cc1 586912414 RPLDHTRFXNYPSV-AWEZNQCLSA-N 362.389 3.792 0 1 FHAF c1ccc(Cn2c(SCc3nc4cccnc4[nH]3)nnc2C2CC2)cc1 586966443 NIWWCHAONBBGFM-UHFFFAOYSA-N 362.462 3.767 0 1 FHAF O=C(NCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1cc2c(s1)CCC2 587035726 YXJCNVHGJXBOQK-UHFFFAOYSA-N 367.261 3.745 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc(Br)c2[nH]1 587041863 HCKFGQKMQFRRDN-LLVKDONJSA-N 368.300 3.946 0 1 FHAF COc1cccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587044113 ZPVKNMDBYPCWEJ-CQSZACIVSA-N 359.838 3.880 0 1 FHAF COc1cc(OC)c2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 587078726 ALWPPPZFIPQRIQ-CQSZACIVSA-N 370.840 3.957 0 1 FHAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(S(=O)(=O)CC)ccc3[nH]2)n1 587080641 XDQIIGJBGJDLJV-JTQLQIEISA-N 366.874 3.844 0 1 FHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587111121 AMPYAOPSKDWHJU-ZDUSSCGKSA-N 374.366 3.709 0 1 FHAF Cn1nnc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1C(F)F 587129663 ZEEJQDXBCMRMOB-UHFFFAOYSA-N 351.666 3.968 0 1 FHAF Fc1ccc(-n2nnc(-c3nc4cncc(Cl)c4[nH]3)c2C2CC2)cc1 587168309 HWSLFATXHFZLSJ-UHFFFAOYSA-N 354.776 3.876 0 1 FHAF COC(=O)Nc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cn1 587244452 FPENLGIYOMRXHB-UHFFFAOYSA-N 365.162 3.705 0 1 FHAF CN1CCC[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342552 FJRGDRQWIARENE-PZJWPPBQSA-N 355.409 3.745 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)NCc1ccc(Cl)cc1)O2 587376964 DYZOSQGFPLVURZ-HXUWFJFHSA-N 372.852 3.661 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(F)(F)F)nc1C1CC1)O2 587382013 MLJJOYJJJOEAPT-HNNXBMFYSA-N 365.355 3.920 0 1 FHAF Cc1ccc(Cn2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2=O)cc1 587398470 HODZHJRILAZBKU-OAQYLSRUSA-N 374.440 3.802 0 1 FHAF CN(C)/C=C(\Br)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501860 ZDNFQPOMGCAVJJ-SCOADAFUSA-N 350.256 3.697 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(O)c1 587611801 UFKKXWKDEDXGRB-PXNSSMCTSA-N 350.326 3.506 0 1 FHAF CCn1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587766349 VOPKUSRPSVYWFF-HWPZZCPQSA-N 352.251 3.602 0 1 FHAF CCn1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587768107 ZYHHMSRBFJYPEK-HWPZZCPQSA-N 352.251 3.602 0 1 FHAF O=C(c1cncc(Br)c1)n1nc2cc1Oc1ccc(F)cc1-2 587872242 LHBPHIPEBAQOGU-UHFFFAOYSA-N 360.142 3.641 0 1 FHAF COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3Br)oc12 1857562861 SIDDNLPJKRCIDF-UHFFFAOYSA-N 363.163 3.642 0 1 FHAF N=c1cc(OCc2cc(-c3cccc(F)c3)ccc2Cl)c2nn[nH]c2[nH]1 1857615681 ZMHGTFZMJCIDLN-UHFFFAOYSA-N 369.787 3.804 0 1 FHAF CCCN(C)c1nc(O)c(C)c([C@H](OC)c2c(F)cccc2Cl)n1 1857617082 XCHUPALTVUYYID-OAHLLOKOSA-N 353.825 3.865 0 1 FHAF CC(C)[C@@H](CC1CCCCC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C 1857744656 SYABFUDGZTUVEB-NHCUHLMSSA-N 358.526 3.860 0 1 FHAF Fc1ccc2c(c1)nc1n2[C@H](CNCc2cnc3ccccc3c2)COC1 2356300413 WFBQXILUFCNPAQ-QGZVFWFLSA-N 362.408 3.585 0 1 FHAF COC(=O)CCCCCCC[C@H](O)[C@@H](CCCCCCCCO)OC 2356406129 NUFKGRYSSIJFND-RBUKOAKNSA-N 360.535 3.989 0 1 FHAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3C=Cc4c([nH]c5ccccc45)[C@H]3C[C@H]12 2356836061 KWQSIDFPQBLAMV-XXHPDZBISA-N 350.418 3.607 0 1 FHAF COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)cc2)cc1 1379462 WJDRYNQUJGHZBB-GOSISDBHSA-N 353.422 3.639 0 3 FHAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CC)cc1 775680 HKUCKTYYAGAFPX-AWEZNQCLSA-N 360.454 3.539 0 1 FHAF CCc1ccc([C@H]2C[C@H](c3cc(OC)ccc3OC)N3NC=NC3=N2)cc1 2915269 RZSVCBGACGRXGV-RTBURBONSA-N 364.449 3.657 0 1 FHAF C[C@H]1CN(CC(=O)O)[C@H](C)CN1c1ccccc1Sc1ccccc1 28369345 RNWWELXCECAMRH-CVEARBPZSA-N 356.491 3.821 0 1 FHAF Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccc(F)cc2N)cc1 114032618 BEFOBMGNAJJGSD-UHFFFAOYSA-N 357.429 3.645 0 1 FHAF O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 28233267 SLSMPCDNDAFDRP-UHFFFAOYSA-N 371.912 3.672 0 1 FHAF COc1ccc(-c2c(-c3cc(N)c(OC)c(OC)c3)ncn2C)cc1F 64436998 BQWVOXLQPFDJRS-UHFFFAOYSA-N 357.385 3.501 0 1 FHAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3cccn3C)cc2)C[C@H]2CC[C@@H]1N2C 36271196 NXORNPDSIJCZRC-QCFAMHMHSA-N 352.478 3.822 0 1 FHAF Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3c2)cn1 215926269 KAJLFKLHKCBRSD-UHFFFAOYSA-N 358.430 3.829 0 1 FHAF C[C@@H]1CCc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 49034676 VLGARHNNCOWEGF-BIBXISHDSA-N 351.837 3.941 0 1 FHAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ncccn2)c1 43011367 RDPYZNMGINLHJE-UHFFFAOYSA-N 351.454 3.648 0 1 FHAF CC[C@H]1[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC(=O)[C@@H]1C 40646430 WNPYNRMJONMARB-MFDRGKAFSA-N 353.506 3.922 0 1 FHAF CNC(=O)OC[C@@H](Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 45371368 IPIVVFVBOCKVJN-OAHLLOKOSA-N 369.446 3.661 0 1 FHAF Cc1cccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1 140128929 MECJGKXQCSYWOS-UHFFFAOYSA-N 369.428 3.568 0 1 FHAF O=C(O)c1ccccc1NC(=O)N1CCC2(CCc3ccccc32)CC1 299835134 LTJHJZHKOPRHQB-UHFFFAOYSA-N 350.418 3.897 0 1 FHAF CCOC(=O)[C@@H]1CC(=O)c2sccc2[C@H]1c1cc(OC)cc(OC)c1 653819608 GNORCNXUIKKJCH-NVXWUHKLSA-N 360.431 3.663 0 1 FHAF COc1ccccc1Nc1nnc(Cn2c(C)nc3ccccc32)s1 653831383 JJLQCGLAWNTTSY-UHFFFAOYSA-N 351.435 3.997 0 1 FHAF CO[C@H](C)COC1CCC(c2nc3ccnc(Br)c3[nH]2)CC1 587953070 ZCSZQONRVOSZQS-VOMCLLRMSA-N 368.275 3.798 0 1 FHAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H](C)CCO3)nc2c1 586918012 ZUYTWYVUXOXHCD-ZANVPECISA-N 367.243 3.990 0 1 FHAF Cc1oc2nc(Br)nn2c1-c1cc2c3c(cccc3n1)CC2 587209221 KHGBRQOCXHLARG-UHFFFAOYSA-N 355.195 3.707 0 1 FHAF COC(=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2n1 587052977 WOMNAXNIVFKQMM-UHFFFAOYSA-N 352.781 3.856 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587938042 SDOJENVZSPSMIV-YMTOWFKASA-N 351.328 3.822 0 1 FHAF COC(=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005183 AYUXWPWDYKGLTI-UHFFFAOYSA-N 366.602 3.827 0 1 FHAF COC(=O)CC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346505 CAMFYXXIBFQJNT-GQOVNHCKSA-N 370.376 3.602 0 1 FHAF COC(=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2n1 587061620 WGZAYQSBQKUHOK-UHFFFAOYSA-N 354.753 3.720 0 1 FHAF O=C(O)c1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612875 LBWCXXNNTMOUTO-WMLDXEAASA-N 368.366 3.855 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc(F)c2)N1 587740062 WACORJZOAGZVQX-ABKXIKBNSA-N 353.210 3.920 0 1 FHAF COC(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1OC 587108220 ZUWMOIFWQMVLNH-UHFFFAOYSA-N 364.323 3.968 0 1 FHAF Cc1cc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1Br 586977613 RYQPIQMRJTYYNF-UHFFFAOYSA-N 372.222 3.556 0 1 FHAF O=C(CNc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660172 OQWXCHIHKOMMHV-UHFFFAOYSA-N 373.387 3.955 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nccc2cc[nH]c12 587587118 FSRRWHWJFFBAJC-HRAATJIYSA-N 358.353 3.971 0 1 FHAF COC(=O)C[C@@]1(C2CC(F)(F)C2)CC(=O)c2ccc3c(c2O1)CCCC3 587504643 JRISPZKSHNXUIP-LJQANCHMSA-N 364.388 3.878 0 1 FHAF COc1ccc2cc(-c3ccc4c(O)nc(O)nc4n3)ccc2c1Cl 587369289 YUMFASMMPSLDOT-UHFFFAOYSA-N 353.765 3.918 0 1 FHAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587041523 WUCPWLOMPIWWTC-VIFPVBQESA-N 359.373 3.963 0 1 FHAF COc1ccc(C=O)c(-c2nc3c(Br)cccc3[nH]2)c1OC 587785588 CHRGIUQCZWZWLA-UHFFFAOYSA-N 361.195 3.822 0 1 FHAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1 587168429 VRNXECCXASWAJA-QGZVFWFLSA-N 364.384 3.947 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncn3ccccc23)N1 587774533 WEOZTAMQTLYSRM-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)N3)[C@H]1c1ccc(F)cc1 587350260 RPSPACAFTABYMK-NWJUEQOBSA-N 353.393 3.543 0 1 FHAF CCOC(=O)[C@H]1CSCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587538567 PMERBNVHNSBCPG-UZLBHIALSA-N 360.475 3.586 0 1 FHAF COc1ccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1SC 963039578 YMIPRTWVXVVWMX-XCLFUZPHSA-N 354.475 3.560 0 1 FHAF CC[C@]1(C)CCC2=C1CC[C@H]1[C@H]2C[C@@H](OC)C2=C[C@@H](O)[C@@H]3C[C@@]21C(=O)O3 1772586895 JLKFAPDEQPJKJG-HWFHFLMNSA-N 358.478 3.541 0 1 FHAF Cc1cc(C)n2nc(-c3ccc(CCCF)cc3)c(CC(=O)N(C)C)c2n1 1772585588 ZSOLQDPPCUMXOB-UHFFFAOYSA-N 368.456 3.546 0 1 FHAF Cc1c(C(=O)c2ccccc2F)c2ccccc2n1CCN1CCOCC1 13742544 LBVQZINEINQDHE-UHFFFAOYSA-N 366.436 3.652 0 1 FHAF C[C@H](Cn1c(O)cc(=O)n([C@H]2C[C@@H]3CC[C@@H]2C3)c1=O)c1ccc(Cl)cc1 169729795 QDBPUNLJMKEAQD-SMKXDYDZSA-N 374.868 3.534 0 1 FHAF Cc1ccc(CN2CCCC[C@H](NC(=O)c3c(F)cccc3F)C2=O)cc1 200052246 XFZKJOKFRDIYHH-SFHVURJKSA-N 372.415 3.584 0 3 FHAF CCOC(=O)c1sc(C)c2c1N[C@H](c1ccc(SC)cc1)NC2=O 2479342 MPUPIOGKHGTECH-HNNXBMFYSA-N 362.476 3.809 0 1 FHAF COc1ccccc1S[C@@H]1CC(=O)N1C(=O)N[C@H](C)c1ccccc1 1857540878 NHIBOTVVFUWMDN-FZKQIMNGSA-N 356.447 3.817 0 1 FHAF Cc1cc(OCc2nnc(-c3ccccc3)s2)ccc1OCC(=O)O 1857562500 VATATRKOMDMNKZ-UHFFFAOYSA-N 356.403 3.556 0 1 FHAF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc2oc(C)nc2c1 1857643726 DNJNJBZISONIGL-UHFFFAOYSA-N 368.824 3.930 0 1 FHAF O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)Nc1ccc(Cl)cn1 4920669 NXQLNUHJSKYNNM-UHFFFAOYSA-N 364.188 3.749 0 1 FHAF c1ccc(CN2CC[C@H](Nc3nccc(N4CCCCCC4)n3)C2)cc1 13976751 ITQKQTAFSZRQTM-IBGZPJMESA-N 351.498 3.543 0 1 FHAF COc1cc([C@H]2CN=C(c3cn(C)c4ccccc34)O2)cc(OC)c1OC 27524673 BCBOSWVGLOIWDO-LJQANCHMSA-N 366.417 3.722 0 1 FHAF C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(Cl)c4)cc3c21 28902046 SFNYYJNUCUHONX-JTQLQIEISA-N 353.809 3.921 0 1 FHAF Nc1ccc2ncnc(NCCc3ccc(OCc4ccccn4)cc3)c2c1 32089624 DTUFTDPBRNAGSL-UHFFFAOYSA-N 371.444 3.841 0 1 FHAF CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2)NC(=N)N1C#N 45285462 GHUFIBNLECYUCJ-KRWDZBQOSA-N 365.824 3.615 0 1 FHAF O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc(F)c(F)c2)o1 66139105 YMIOFJNNOCUPJI-UHFFFAOYSA-N 365.723 3.686 0 1 FHAF Fc1ccc(Cn2c[n+](Cc3ccc(Cl)cc3Cl)cn2)c(F)c1 72105983 VZFSCQGLTZYFAM-UHFFFAOYSA-N 355.195 3.852 0 1 FHAF CNc1ccc(-c2cnc3cc(I)ccc3n2)cc1 72110065 AOAKOIFWCFCYHD-UHFFFAOYSA-N 361.186 3.943 0 1 FHAF Cc1nc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCOCC3)c2)n[nH]1 73160260 WYJRHMPICZARGU-UHFFFAOYSA-N 374.444 3.756 0 1 FHAF Cc1ccc([S@](=N)(=O)NC(=O)Nc2ccc(Br)cc2)cc1 80852918 NICNOABGSGYORI-OAQYLSRUSA-N 368.256 3.900 0 1 FHAF c1ncn(-c2ccc(Oc3cncc(NCC4CCCCC4)n3)cc2)n1 82068559 JCMXRMLIAPSXJZ-UHFFFAOYSA-N 350.426 3.842 0 1 FHAF C=C(CNC(=O)[C@H](O)CCCCCCCCCCCCC)C(=O)OC 85893998 ZQZALSRIBAGOSY-GOSISDBHSA-N 355.519 3.894 0 1 FHAF biogenic Cc1ccc(CNCC2(F)C[C@@H]3CC[C@@H](C2)N3C(=O)c2ccsc2)nc1 102774702 PYKBXZYCKZDPNW-ROUUACIJSA-N 373.497 3.717 0 1 FHAF Cc1nc2cccc3c2nc1N[C@H](C)CCC[C@H]1CNC(=O)c2cc-3[nH]c21 150062522 ISSQSUGBRMTNBJ-YPMHNXCESA-N 361.449 3.745 0 1 FHAF CC(C)Oc1ccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)cc1F 204408898 XNYBQOURSLMEHE-IBGZPJMESA-N 364.436 3.921 0 1 FHAF COc1cc(O)c2c(c1C(=O)c1ccc(O)cc1)CCc1cc(O)ccc1-2 238735606 JWFYTGBXGKZYFE-UHFFFAOYSA-N 362.381 3.809 0 1 FHAF Cc1c(NC(=O)c2ccc(F)cc2)cccc1C(=O)C1CCN(C)CC1 473097867 CYRRPECAYRQUSC-UHFFFAOYSA-N 354.425 3.911 0 1 FHAF CN1CCN(c2ccc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)CC1 586887357 GHHCJAOIJUFBTH-DSZJKHHPSA-N 350.510 3.783 0 1 FHAF O=C(O)Cc1c(-c2ccc[nH]2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989798 QUMCFBOZLNGSAW-UHFFFAOYSA-N 370.364 3.774 0 1 FHAF Brc1c[nH]c2nccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c12 587004817 YWOHRTYHGBFHOQ-UHFFFAOYSA-N 371.194 3.640 0 1 FHAF O=C(O)c1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006674 QEQUMULODADICX-UHFFFAOYSA-N 356.179 3.943 0 1 FHAF Fc1cc(Cl)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587008740 NUCKSVZHSQXIDQ-UHFFFAOYSA-N 366.581 3.828 0 1 FHAF CCCc1sc(=N)[nH]c1-c1nc2cc(Br)c(F)cc2[nH]1 587013627 VGXKNQLRYIZKDQ-UHFFFAOYSA-N 355.236 3.953 0 1 FHAF Oc1c(F)cc(F)cc1-c1nc2ccc(I)cc2[nH]1 587134042 IVNHATQUTQNWFG-UHFFFAOYSA-N 372.112 3.818 0 1 FHAF N=c1ncc(-c2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)c[nH]1 587254981 TZLFUBZMMWWPGN-UHFFFAOYSA-N 357.204 3.801 0 1 FHAF COc1nc(N2CCCCC2)sc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587413904 RBGSWKYEVGJSSP-OAHLLOKOSA-N 373.478 3.739 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(CC)cccc21 587480765 GNFJTSBGVYLSEU-NRFANRHFSA-N 351.402 3.720 0 1 FHAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1N 587579747 OYDXPJHOPCBPHL-UWJYYQICSA-N 363.369 3.686 0 1 FHAF Cc1cc(C)n(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587582393 PEMBKIVXWRIKFZ-NQIIRXRSSA-N 364.401 3.626 0 1 FHAF Cc1[nH]c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C=O 587593012 ZWNMKDDGMFYXBD-WIYYLYMNSA-N 363.369 3.853 0 1 FHAF Cc1nccn1CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587753859 KAWABWSUZOJCFH-GTNSWQLSSA-N 366.278 3.933 0 1 FHAF Cc1ccn(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587766730 WVCOVULUQONKLI-ZBEGNZNMSA-N 352.251 3.543 0 1 FHAF COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587772856 PGEDMJKHLDCTFO-JDNHERCYSA-N 351.219 3.615 0 1 FHAF N[C@H]1CC[C@H](CNc2nccc(Nc3cc(C(F)(F)F)ccn3)n2)CC1 653895009 JSYZDAVILAKEPA-AULYBMBSSA-N 366.391 3.563 0 1 FHAF O=C(O)c1cccc2c1CCN[C@@H]2c1ccc(C(F)(F)C(F)(F)F)nc1 963132517 QPMUMKDYDLWXHW-CQSZACIVSA-N 372.293 3.669 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(F)c3C)C2)cc1 1772619498 UYYGKOWJAFNVIL-KXBFYZLASA-N 356.441 3.989 0 1 FHAF FC(F)(F)Oc1cccc(CNCCN[C@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@H]42)c1 1857608888 XUNMCAHVNYTWCU-WBOSRHFRSA-N 354.416 3.699 0 1 FHAF CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CC[N@]2C[C@@H]2C)c(C)c1 1857742112 NCVFXEZVQBNROF-LAUBAEHRSA-N 365.539 3.934 0 1 FHAF O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1 1911570404 CZZQPEHAKLEEHU-UHFFFAOYSA-N 358.825 3.537 0 1 FHAF O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN(c2ncccn2)C1 4375200 BGMWXHLGEISHRW-GOSISDBHSA-N 358.445 3.999 0 3 FHAF O=C(NCCCC1CCCC1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 12457515 RFTVPTOHGPQXBK-SFHVURJKSA-N 360.473 3.651 0 3 FHAF COc1ccc(NC(=O)c2cc(-c3cc(C)cc(F)c3)[nH]n2)cc1OC 61896830 DFTQSNLYOPTQLW-UHFFFAOYSA-N 355.369 3.794 0 3 FHAF Nc1nc(N)c2cc(CN(N=O)c3ccc(Cl)c(Cl)c3)ccc2n1 4772226 PVXUCJRLHRKXFJ-UHFFFAOYSA-N 363.208 3.789 0 1 FHAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OCCF)[C@H](c1ccc(Br)cc1)C2 101023159 LEEXJBMYTWENTA-QKPAOTATSA-N 370.262 3.528 0 1 FHAF CCCCNc1nc(N)c2c(n1)[nH]c(=O)n2-c1ccc(-c2ccccc2)cc1 28571712 DWSQEVDQBGSYEX-UHFFFAOYSA-N 374.448 3.570 0 1 FHAF CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(C(=O)O)cc1 28761245 LKQVMUITDMSGJH-UHFFFAOYSA-N 364.829 3.689 0 1 FHAF CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccccc2)O3)c1 61930091 HWWALCOSLSUKHJ-HXUWFJFHSA-N 358.397 3.893 0 3 FHAF O=c1c(O)cc2ccccc2n1Cc1nc2ccccc2n1CCCCF 28824455 VSYZKSYSTFBQNQ-UHFFFAOYSA-N 365.408 3.855 0 1 FHAF N=C(N)c1ccc2c(ccn2CCCCn2ccc3cc(C(=N)N)ccc32)c1 26750058 ZTBSRVFCHBNOEV-UHFFFAOYSA-N 372.476 3.645 0 1 FHAF COc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)csc2=O)cc1 45299589 IPTSSIOZWAQOHE-UHFFFAOYSA-N 373.430 3.600 0 1 FHAF CCOC(=O)c1n[nH]c2c1C[C@@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]21C 261182910 WMQJMIBEOIXGLX-MUUPZMKNSA-N 366.461 3.862 0 1 FHAF COc1ccc(-c2cc(NC(=O)c3cc(-c4ccccc4)[nH]n3)no2)cc1 299818723 AFGXFBDJFZYPCO-UHFFFAOYSA-N 360.373 3.993 0 1 FHAF c1ccc([C@H]2C[C@]3(N4CCOCC4)CNC[C@@H]2[C@H](c2ccccc2)C3)cc1 299853800 QDRFBNUPHMXBIU-NVPYSNMXSA-N 362.517 3.638 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)([C@H]1CCCNC1)O2 587401191 QRUBDCTZYSSSFM-HTAPYJJXSA-N 350.462 3.524 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(C)nn(C)c3nc1Cl)O2 587382638 QRSJNRMFURCTJH-HNNXBMFYSA-N 356.813 3.527 0 1 FHAF O=S(=O)(O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586897743 IPAQBUWCQSAESW-UHFFFAOYSA-N 366.398 3.849 0 1 FHAF Cc1cc(Br)cc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c12 587960418 CBVWAJAFHAASRJ-UHFFFAOYSA-N 359.223 3.852 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cccnc32)N1 587778250 LWEHVQKUMGSRSJ-DYZYQPBXSA-N 363.230 3.544 0 1 FHAF COc1ccc(-c2ccc(-c3nc4c(N)ncnc4[nH]3)c(F)c2)c(F)c1 587152543 POSCBBGHYFDCGH-UHFFFAOYSA-N 353.332 3.556 0 1 FHAF CCOC(=O)C(C)(C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597238 QFCDSUKDTWXMHR-KKSFZXQISA-N 370.401 3.702 0 1 FHAF COc1cccc2c1OC[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587530508 CSPSPCJJFAJCNM-QFIPXVFZSA-N 350.414 3.913 0 1 FHAF Cc1cc(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)ccc1Br 586975906 GXUYXIFNBUDPLS-UHFFFAOYSA-N 372.266 3.926 0 1 FHAF NC(=O)/C(=C\c1ccccc1O)c1nc(-c2cc(F)ccc2F)cs1 587921729 VROAYHWAIGIMRZ-NTUHNPAUSA-N 358.369 3.820 0 1 FHAF O=C1COc2cc3[nH]c(-c4[nH]c5ccc(F)cc5c4Cl)nc3cc2N1 587175175 RRPNHSUXOJGTSF-UHFFFAOYSA-N 356.744 3.835 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c(=S)n2C)N1 587846092 TVTWTCXSCGPLJT-XLKFXECMSA-N 370.291 3.618 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3c(Br)ccnc3[nH]2)c1C 587238547 CLASAAGQQCMSOZ-UHFFFAOYSA-N 359.227 3.518 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)o2)N1 587757013 UAGSWGWEXWUHFJ-FVMDXXJSSA-N 353.235 3.871 0 1 FHAF C[C@H](N)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575838 DQLWCDLGBCNROV-BANJIEJESA-N 361.397 3.597 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1cccn1 587862590 DKTKHZNFANXHFI-NSHDSACASA-N 364.327 3.675 0 1 FHAF CN(C)C(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 587971301 YQBKXVMUALXZJD-UHFFFAOYSA-N 361.445 3.694 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)c3ccoc3)CC1)CC2=O 587477446 RGSGYOIUXIQWFU-UHFFFAOYSA-N 369.417 3.578 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@H](c3cccc(-c4cccnc4O)c3)c3cccc1c32 963021503 HPAFWTMZTNFFJR-OPAMFIHVSA-N 371.440 3.597 0 1 FHAF CN1[C@H]2CC[C@@H](OC(=O)[C@](O)(c3cccs3)C3CCCCC3)[C@H]1CC2 169336884 WSRVGFQYBQVAJN-WOCWXWTJSA-N 363.523 3.684 0 1 FHAF CC[C@H](NC(=O)CCCN1C(=O)COc2ccc(C)cc21)c1ccccc1 203474477 ONDAXQIGIDHTRO-SFHVURJKSA-N 366.461 3.768 0 3 FHAF Cc1ccc(Cn2[nH]c(=NC(=O)c3scnc3C)c3ccccc32)cc1 1857577419 LVSPFTIYDZXUPB-UHFFFAOYSA-N 362.458 3.832 0 1 FHAF CN(C)Cc1ccccc1Cc1ccc(I)cc1N 13584120 BRZFVBLWHJLYPD-UHFFFAOYSA-N 366.246 3.526 0 1 FHAF C[C@H]1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1 589891 OXUTXRZFYPFZEZ-LLVKDONJSA-N 370.503 3.996 0 1 FHAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@@H]12 6067554 KYVPWJSGFKNNLD-ABEVXSGRSA-N 370.511 3.786 0 1 FHAF endogenous,world Fc1ccc(/C=C2\COCC3=C2NC(=S)N[C@@H]3c2ccc(F)cc2)cc1 6535123 WVZGCXLOPNABJQ-MOVXZBDNSA-N 370.424 3.852 0 1 FHAF Cc1nc2c(OCc3ccccc3)cccn2c1COC(=O)c1cccnc1 28001647 IUUJIXCLQIAZQY-UHFFFAOYSA-N 373.412 3.974 0 1 FHAF O=C(O)CCC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1 27324919 USNRGVMUWHNCIJ-UHFFFAOYSA-N 356.403 3.679 0 1 FHAF CN(C)CCN(Cc1ccccc1)C(=O)c1cc2ccc3cccnc3c2[nH]1 20575495 GAHYAUQCDULERG-UHFFFAOYSA-N 372.472 3.920 0 1 FHAF O=S(=O)(/N=c1/[nH]c(-c2ccc(C(F)(F)F)cc2)co1)c1ccccc1 28524438 WGTONQCOIHXYJF-UHFFFAOYSA-N 368.336 3.583 0 1 FHAF c1ccc(CCNCC2(N3CCCCC3)COc3ccccc3OC2)cc1 28821267 NXYSORJHLYHQML-UHFFFAOYSA-N 366.505 3.515 0 1 FHAF COc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)csc2=N)cc1 101883517 GVBUYMHXJQJZHN-UHFFFAOYSA-N 372.446 3.720 0 1 FHAF CC[C@@H]1Oc2cc(O)cc(O)c2N=C1c1ccc(O)c(Br)c1 26398311 LHDKIFNIDVFSRF-ZDUSSCGKSA-N 364.195 3.858 0 1 FHAF COc1ccc(C[C@@H](N)c2csc(NC(=O)Cc3ccccc3)n2)cc1 61903369 LBGALCFHBZRIHP-QGZVFWFLSA-N 367.474 3.575 0 3 FHAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1)c1cccs1 35259309 CXEMRKSMYCZKCH-OAHLLOKOSA-N 374.326 3.994 0 1 FHAF COC(=O)[C@@H]1[C@H](c2ccc(/C=C\Br)cc2)C[C@@H]2CC[C@H]1N2C 36093110 QRRDJSMVPRYYBA-MUPNGDNISA-N 364.283 3.792 0 1 FHAF COC(=O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CCC2 137015574 IAYIDTHYSFIKFX-CZTZKLFOSA-N 358.478 3.722 0 1 FHAF c1ccc2c(CCN3CCC[C@@H](c4ccnc(NC5CC5)n4)C3)c[nH]c2c1 40915070 BWRZYJMZRBKIAZ-QGZVFWFLSA-N 361.493 3.954 0 1 FHAF in-vitro O=C([C@H]1C[C@@H]2CC[C@H]1C2)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 95578354 PKEODQBLMLQVCV-WQGACYEGSA-N 357.841 3.752 0 1 FHAF O=C1CN=C(c2cccs2)C=C2c3cccc(C(F)(F)F)c3CCN12 149116450 MDTAHECBRZZGJE-UHFFFAOYSA-N 362.376 3.995 0 1 FHAF O=C1CCCCCC=CCCOC(=O)c2c(O)cc(O)c(Cl)c2C1 261180572 VZTAZMSAAIUZJV-UHFFFAOYSA-N 352.814 3.930 0 1 FHAF in-vivo COc1ccc([C@@H]2CC[C@H](Cc3ccc4c(c3)OCO4)[C@@H]2CO)cc1OC 33830833 XEJPIDQIKBBVKQ-NJAFHUGGSA-N 370.445 3.777 0 1 FHAF biogenic COc1cc(C(=O)c2ccn(-c3ccccc3F)c2)cc(OC)c1OC 299826737 HVWPALKTUKWSCO-UHFFFAOYSA-N 355.365 3.873 0 1 FHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5cn[nH]c5cc4[nH]3)cc2N1 587122162 AJUIBNBDPDMIFF-CPFSXVBKSA-N 361.331 3.610 0 1 FHAF CC(C)N1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587770285 SJRMTMRORXPCBJ-PXAZEXFGSA-N 355.295 3.822 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ncnc(Cl)c3n1C)CC2=O 587463036 VCPOOCZKCXNCHY-MRXNPFEDSA-N 371.824 3.986 0 1 FHAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587950806 CWFNVNGWKFPPNZ-WQGACYEGSA-N 352.456 3.856 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 586935025 FWJLHXWBZQWHJG-NSHDSACASA-N 363.870 3.960 0 1 FHAF COc1ccc(/C=C\Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)c(OC)c1 587928437 CLDNBMIHHYNFSH-ZRHASKPBSA-N 352.394 3.560 0 1 FHAF CC[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454876 ZDRSOJWQYVRWHD-QVKFZJNVSA-N 352.386 3.519 0 1 FHAF COc1ccc(S(=O)(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 586920555 MQJWIOQMDKLFJX-UHFFFAOYSA-N 370.352 3.564 0 1 FHAF COc1cccnc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587768444 CWKUFGCWRFZGMA-BMLIUANNSA-N 365.246 3.790 0 1 FHAF Cc1ccc(-c2[nH]c3cccc(F)c3c2[C@H](C(=O)O)n2cncn2)cc1 587636397 ZVFKBCSEHMHWGS-GOSISDBHSA-N 350.353 3.548 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1[nH]c(O)cc12 587588542 LCBZIDQZMYMCAB-GHTZIAJQSA-N 363.369 3.619 0 1 FHAF CCc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1CC 587763691 LJFRDQSAOSFFHX-QGHHPUGFSA-N 366.278 3.991 0 1 FHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(O)c2[nH]1 587112065 GNQAMUGBIUFCDR-QGZVFWFLSA-N 363.339 3.687 0 1 FHAF CCC[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452295 KORLNDSAUIISMI-OPAMFIHVSA-N 366.413 3.909 0 1 FHAF NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587076571 KLMMTMIHXHGVPZ-UHFFFAOYSA-N 364.792 3.750 0 1 FHAF CC(C)OC[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188114 VNZPHNQIVLRWDF-NHYWBVRUSA-N 365.779 3.598 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc3[nH]nc(C(=O)O)c23)N1 962941381 DTRXRAGBHKWTSK-ADLMAVQZSA-N 360.417 3.756 0 1 FHAF Clc1ccc(-c2ccc([C@H]3NCCc4nc5ccccn5c43)cc2)nn1 962980189 BYNCLMJIBWLWRA-LJQANCHMSA-N 361.836 3.680 0 1 FHAF Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 12749599 VYICTOMZIKPSSD-QGZVFWFLSA-N 359.491 3.523 0 3 FHAF O=C(N[C@@H]1CCc2ccccc21)[C@H]1CC(Cc2ccccc2Cl)=NO1 14988872 WULZGBSJUQZIHY-RTBURBONSA-N 354.837 3.831 0 1 FHAF CCCCn1c(O)c2n(c1=O)[C@H](c1cccnc1)c1[nH]c3ccccc3c1C2 169717805 NOTZSIPWQIUINI-HXUWFJFHSA-N 374.444 3.574 0 1 FHAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1COc2ncccc21 205614769 MJUQXVFIESWKTR-LLVKDONJSA-N 356.731 3.546 0 1 FHAF Nc1nc(Cl)cc(NCC2(CO)CC(CCCc3ccccc3)C2)n1 1485736 QTBFZRZEWHBMHT-UHFFFAOYSA-N 360.889 3.536 0 1 FHAF COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 2482188 NERYLXOVUKGIHT-UHFFFAOYSA-N 354.381 3.914 0 1 FHAF CN1CCN(Cc2ccc3c(=O)cc(-c4ccccc4Cl)oc3c2)CC1 103217652 AOYQTODNYHORER-UHFFFAOYSA-N 368.864 3.861 0 1 FHAF COc1ccccc1-c1cc(C(F)(F)F)c2c(N)c(C(N)=O)sc2n1 103241983 OHUXFUJPPAEHOI-UHFFFAOYSA-N 367.352 3.672 0 1 FHAF N=C(N)c1ccc2nc(Cc3nc4c(Cl)cc(Cl)cc4[nH]3)[nH]c2c1 28568828 SPMBNWBQBSODPD-UHFFFAOYSA-N 359.220 3.621 0 1 FHAF COc1ccccc1C=CC=C[C@@]12NC(=O)CN1c1ccccc1C2(C)C 2356561608 CAVPWUNTQPMSRW-HSZRJFAPSA-N 360.457 3.889 0 1 FHAF COC(=O)C[C@@H]1C(=O)O[C@@H]2O[C@H](C)C(=C[C@@]3(C)CCCC(C)(C)C3)[C@H]21 2356734419 NBWPFZAKGLLNHV-XIDCIJIPSA-N 350.455 3.616 0 1 FHAF Cn1c2c(c3ccc(-n4ccc(-c5ccccc5)cc4=O)cc31)CNCC2 64560290 LDNBLXMHRYRTRP-UHFFFAOYSA-N 355.441 3.642 0 1 FHAF CCCCNCC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(C)cc1 28220118 IQRVCTUMLBFZFF-FQEVSTJZSA-N 365.521 3.901 0 1 FHAF C=CC1=C(C(=O)NCCc2cccc(F)c2)[C@@H](c2ccc(F)cc2)OC1 73224200 DGBBOFZPEPLOJK-HXUWFJFHSA-N 355.384 3.878 0 1 FHAF Cc1cncn1CCCn1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 43200977 CTWINDSEZLAOLO-UHFFFAOYSA-N 360.508 3.595 0 1 FHAF NCCCN1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1c1cccc(O)c1 49820757 ORWYLXCPUPWKCU-FQEVSTJZSA-N 355.869 3.823 0 1 FHAF CNCc1nc(-c2cc(F)ccc2C)cc2cnc(NC(=O)C3CC3)cc12 144334050 NSFHDRKFVVDACI-UHFFFAOYSA-N 364.424 3.812 0 1 FHAF CC(=O)Nc1ccc(-c2cnc(N)c(-c3nc4ccc(F)cc4[nH]3)c2)cc1 230559917 BOYZKJDOHUCNOO-UHFFFAOYSA-N 361.380 3.972 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(C=O)c1Br)[C@@H](C2)C3=O 587411577 DXMVVZZFWVTEEG-UGSOOPFHSA-N 373.202 3.759 0 1 FHAF COc1cccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c1 587932286 RWGNMZZKYFYPHJ-UHFFFAOYSA-N 352.619 3.973 0 1 FHAF COC(=O)CCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587811947 YAQNQCSBHGOCJT-MEBBXXQBSA-N 358.251 3.897 0 1 FHAF CN1[C@H]2CC[C@H]1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335127 GRPDSKDPKCWSFI-KJLVNVKXSA-N 367.420 3.886 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(O)c1 587554033 CKSFQVGKHGJCFB-XLIONFOSSA-N 352.317 3.940 0 1 FHAF Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(O)c1 587659831 FHSXYNLECPMDRF-UHFFFAOYSA-N 374.371 3.905 0 1 FHAF CC[C@@]1(c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587758116 POZRUBQGOVKJBE-BMLIUANNSA-N 366.278 3.818 0 1 FHAF Cc1ncsc1CCc1nc2cccc(I)c2[nH]1 587028086 NTYLWOMMNPJEHL-UHFFFAOYSA-N 369.231 3.718 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]2OC1CCC1 587601550 SXQSZVVJPDFAKH-LVCYWYKZSA-N 352.386 3.824 0 1 FHAF COC(=O)c1ccc(/C=C\[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1 2178319816 ARTKCRWEWGWXJH-CKDIWJPDSA-N 361.438 3.858 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCN(Cc2ccccc2)[C@@H]1C 963636121 PINXKADVWSUYLO-YGKZAACZSA-N 366.505 3.728 0 1 FHAF Cc1ccc([C@@]2(CCn3ccnc3)c3ccsc3CCN2C(N)=O)cc1 962720820 YFJVIOMHEJRGLF-FQEVSTJZSA-N 366.490 3.524 0 1 FHAF S=C(NCc1ccco1)N1CCC(c2cccc(Br)c2)=N1 13474242 UNNMFHPMAUPGIQ-UHFFFAOYSA-N 364.268 3.527 0 1 FHAF CO[C@@]1(C(C)(C)O)/C=C\[C@](C)(O)CC/C=C(\C)CC(=O)C[C@@H](C)CC1 169290343 PUAPJGQBSUWLAY-ZBCTUJBSSA-N 352.515 3.955 0 1 FHAF O=C(Nc1cccc(F)c1)/C(=C\c1cccnc1)NC(=O)c1cccs1 5338052 GSQFYYVNRFVSDN-MHWRWJLKSA-N 367.405 3.692 0 3 FHAF O=C(O)COc1cc2c(c(Cl)c1Cl)S(=O)(=O)C1=C2CCCC1 26388265 MJQGSOBHOHBLHI-UHFFFAOYSA-N 363.218 3.529 0 1 FHAF COc1ccc2c(c1O)[C@@]13CCN(CC4CC4)[C@@H](C2)[C@H]1[C@@H](C)[C@H](C)C(=O)C3 29237238 KLDLDBNUSYRDQT-FADWTWCPSA-N 369.505 3.540 0 1 FHAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@H](c1ccc(F)cc1)O3 28867395 IUXSCGSRIMIJDJ-GOSISDBHSA-N 367.424 3.858 0 1 FHAF COc1cc(Nc2nccc(-c3sc(C)nc3C)n2)cc(OC)c1OC 35967092 WOHBHEXSHHPQIV-UHFFFAOYSA-N 372.450 3.986 0 1 FHAF CCCCN1C=Nc2cc(C(=O)NCc3ccc(OC)cc3)ccc2C1 45301488 KSMRMJQLXZOUQA-UHFFFAOYSA-N 351.450 3.901 0 1 FHAF CCCN(CCC)C(=O)C(Br)(C(F)(F)F)C(F)(F)F 68573971 BFWDRMDSZONKFZ-UHFFFAOYSA-N 358.120 3.893 0 1 FHAF biogenic Fc1cccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586970066 UERPUHDJRHNBFH-UHFFFAOYSA-N 370.365 3.773 0 1 FHAF COc1cnccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587773405 IIENYAABUYSTJU-BMLIUANNSA-N 365.246 3.790 0 1 FHAF C[C@@]1(c2cccc(CO)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611292 RZPLTJPMPLKIKN-KNQAVFIVSA-N 362.381 3.762 0 1 FHAF CSc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ncn1 587661714 SBWUNJCVGQJUMY-UHFFFAOYSA-N 364.405 3.704 0 1 FHAF O=C1CCc2cc3nc([C@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3cc2N1 587077554 WFRKLWRXXBHQOW-QGZVFWFLSA-N 366.808 3.718 0 1 FHAF C[C@]1(c2ccc(Cl)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552472 RRGNXSMGAKZUBB-VQIMIIECSA-N 368.776 3.713 0 1 FHAF C[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)n1cc(Cl)cn1 587078884 CMXRKWNIIMBIDX-RXMQYKEDSA-N 361.030 3.833 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1COc2ccccc2C1 587619838 ZUTOADBWFUCODG-XLHILCRZSA-N 374.392 3.974 0 1 FHAF O[C@H](c1ccc(Br)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 586998192 YUAUDEFJOYOWLX-LLVKDONJSA-N 372.144 3.821 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)nn1 587554447 XSWTUTSKTWKBHE-YJBOKZPZSA-N 354.749 3.539 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(C=O)c2)N1 587823601 VHYPCBBKRYBHFR-VVVCHXIZSA-N 364.214 3.730 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1nc2cc(C)c(C)cc2[nH]1 963614149 WGIQBOJMJIZKNJ-XCLFUZPHSA-N 351.450 3.821 0 1 FHAF COc1ccc(-c2ccncc2[C@@H]2NCCc3c2c(C(C)C)nn3C)cc1 962921310 SPFJSUIKISRRLP-QFIPXVFZSA-N 362.477 3.849 0 1 FHAF C=Cc1cccc(-c2nc(N[C@H](C)C3CC3)nc(N[C@H](C)C3CC3)n2)n1 223110397 OYMZLJQIWORYFQ-CHWSQXEVSA-N 350.470 3.997 0 1 FHAF FC1(F)CCN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)CC1 1772639265 WFOQUQZAIVXBLY-HDJSIYSDSA-N 374.439 3.611 0 1 FHAF Oc1nc2c(c3nc(-c4ccccc4F)cn13)CN(Cc1ccccc1)CC2 13492012 RYDWUZQWFYGKCX-UHFFFAOYSA-N 374.419 3.799 0 1 FHAF Ic1ccc(OCC2CCN(CC3CC3)CC2)cc1 13605804 JXQVMKWSWFFOHD-UHFFFAOYSA-N 371.262 3.792 0 1 FHAF Cc1cc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2cc1-c1ccccn1 205481538 PCRMBZWSXREWCO-UHFFFAOYSA-N 358.323 3.811 0 1 FHAF COc1ccc(C(=O)Nc2ccc3cc(C(=O)NC4CC4)ccc3c2)cc1 1857559824 URFCZGLVXGQNOI-UHFFFAOYSA-N 360.413 3.993 0 1 FHAF C[C@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)C1CCCCC1 1857607854 OHOBMHFMBUQBLU-HNNXBMFYSA-N 369.513 3.799 0 1 FHAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl 4309471 VJMRSAOJZSLDHY-YJNRSYRUSA-N 357.624 3.781 0 1 FHAF COc1ccc(CNc2ccnc(-c3ccc(N(C)C)cc3)n2)c(OC)c1 4239224 UOZPFNQXMXADLU-UHFFFAOYSA-N 364.449 3.839 0 1 FHAF CC(C)CC[C@@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27874859 JMCLDJHNMNGXFG-WUOIFLIFSA-N 356.503 3.771 0 1 FHAF C[C@H](CN1C(=O)CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1=O)c1cccc(Cl)c1 101677963 GTOBYXNRRUPZQS-GKLJAUDBSA-N 374.868 3.813 0 1 FHAF O=C(c1ccc(Sc2ccccc2)nc1)N1CCCN(C2CCC2)CC1 53299105 YDDDEZXNOIYYHK-UHFFFAOYSA-N 367.518 3.933 0 1 FHAF CCCCNc1ncc(-c2ccc(F)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 103242269 HTOALBYXWRQRAR-GASCZTMLSA-N 359.449 3.605 0 1 FHAF CC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)ccc1c2=O 61921297 ICXQWSXETMLJNY-QGZVFWFLSA-N 373.387 3.873 0 3 FHAF CCCN1C(=O)c2ccccc2[C@]1(O[C@@H]1CC[C@H](O)C1)c1ccc(F)cc1 66128608 QBTWQHLSEJRMBJ-NJNPRVFISA-N 369.436 3.823 0 1 FHAF O=C(O)C[C@@H]1[C@@H]2C=C[C@H]3[C@H]4[C@H](C=C[C@H]3c3ccc5c(c3)OCO5)C[C@@H]1[C@H]24 2356506060 ABOYVNQPUIGLSV-IHIYFOFESA-N 350.414 3.844 0 1 FHAF COC(=O)C1=CC[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2[C@@H](C)CC[C@@H](O)C(C)C 2356642861 XPCAEPWERCDOLA-RQJDQDMWSA-N 352.515 3.706 0 1 FHAF COc1ccc([C@@]2(c3cccc(O)c3)C(=O)Nc3c2ccc(F)c3F)cc1 64548507 KGKGCYLZAHSBTR-NRFANRHFSA-N 367.351 3.966 0 1 FHAF COc1cc2[nH]c3c(c2cc1OC)CCN(C)[C@@H]3Cc1ccc(O)cc1 14687701 YQWJJRCGIHXGJU-GOSISDBHSA-N 352.434 3.662 0 1 FHAF biogenic COc1ccc(-c2ccc3c(c2)n2ncc(-c4ccsc4)c2n[n+]3[O-])cc1 71295665 BOVYESPYCRTAPC-UHFFFAOYSA-N 374.425 3.920 0 1 FHAF Cc1ccc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)o1 40845206 NGJGTHAAKOGSAG-UHFFFAOYSA-N 371.872 3.549 0 1 FHAF O=C(Oc1ccc(Cl)cc1)N1CCN(c2ncccc2Cl)CC1 49249620 HZBVCRHOVMWXFJ-UHFFFAOYSA-N 352.221 3.709 0 1 FHAF CN1C(=N)N[C@@](CC2CC2)(c2cccc(-c3cccc(Cl)c3)c2)C1=O 84605136 PKPHSCAXKJAHAV-FQEVSTJZSA-N 353.853 3.999 0 1 FHAF C[C@H](Oc1ccccc1Cl)C(=O)N(C[C@H]1CCCN1)c1ccccc1 40949623 RRZBMLJADKLFNE-JKSUJKDBSA-N 358.869 3.893 0 1 FHAF CC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)c1cc2ccccc2o1 95601742 RQNFJMNPNKUOAA-UHFFFAOYSA-N 362.389 3.929 0 1 FHAF COc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140216770 IQAPZWWGXDDWNB-UHFFFAOYSA-N 369.428 3.699 0 1 FHAF COc1ccc(-c2nc3ncc(Cl)c(NC4CCN(C)CC4)c3[nH]2)cc1 653799633 YCSYRANYCZGGLN-UHFFFAOYSA-N 371.872 3.793 0 1 FHAF CCOC(=O)[C@@H]1CC(=O)c2sccc2[C@H]1c1ccc(OC)c(OC)c1 653823843 PELMLGNHBACQRC-CXAGYDPISA-N 360.431 3.663 0 1 FHAF COC(=O)c1cc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2cn1 587244555 PGWIBQOHAGSDHF-UHFFFAOYSA-N 372.384 3.664 0 1 FHAF O=C(O)c1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F 587075644 GDJTWXNCFHHZNG-OAHLLOKOSA-N 359.744 3.671 0 1 FHAF O=C(Nc1ccccc1Cl)c1nc2c(Br)cncc2[nH]1 587060932 WVVOLZJZDWQRJR-UHFFFAOYSA-N 351.591 3.626 0 1 FHAF CC[C@@]1(c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587765864 URBCOCJRVJHHBP-QFYYESIMSA-N 352.251 3.510 0 1 FHAF Cc1ccc(-c2nc3cc(I)cnc3[nH]2)c(F)c1 587146764 VQAHXSUESCYYMI-UHFFFAOYSA-N 353.138 3.677 0 1 FHAF CC(C)C1=C[C@@]2(CC(=O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 587834198 QVEGNBHGAJDAFR-QGHHPUGFSA-N 368.246 3.805 0 1 FHAF COc1cncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587775502 RDQDRIOLTCUHCE-JDNHERCYSA-N 351.219 3.615 0 1 FHAF COc1cc(OC)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587075090 CFTURPBZRNGUBY-MRXNPFEDSA-N 357.797 3.851 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(OC)c(OC)c3)nc2c1 587925512 BUJKKUQDRFUITN-UHFFFAOYSA-N 360.797 3.611 0 1 FHAF CC[C@@]1(C2CCNCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593936 JNADWKZPIFLHQH-NQIIRXRSSA-N 353.418 3.502 0 1 FHAF Cc1nn(-c2cccc(-c3nc4ccc(C(N)=O)cc4[nH]3)c2)c(C)c1Cl 587065647 UZPQESVRQJKWTL-UHFFFAOYSA-N 365.824 3.785 0 1 FHAF C[C@]1(c2ccc(F)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569105 KKEXTQOOGUXJGA-YLJYHZDGSA-N 351.333 3.803 0 1 FHAF COc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587775362 ZJNJLHOQHSHQJU-BTDLBPIBSA-N 365.246 3.924 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CCN(C(=O)OC(C)(C)C)C1)O2 587395848 OTAUHWGCRBDVJG-RNODOKPDSA-N 360.454 3.558 0 1 FHAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc2c(c1)OCO2 167677094 ZHJAIWAJKKDHFY-OAHLLOKOSA-N 369.417 3.686 0 1 FHAF COc1cccc(NC(=O)C[C@@]2(C)N=C(c3ccccc3Cl)N(C)O2)c1 205229682 XFUSBRWNURFXDI-IBGZPJMESA-N 373.840 3.717 0 3 FHAF CNc1ccn2cc(-c3cc(Br)c(OC)cc3OC)nc2c1 1857579697 UDLSGJARORANOY-UHFFFAOYSA-N 362.227 3.823 0 1 FHAF C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccccc2OC)cs1 1857598650 VAGSGMHXJMOQPE-UHFFFAOYSA-N 355.419 3.834 0 1 FHAF O=C1CCc2ccccc2N1CCCCN1CCN(C2CCCCC2)CC1 1857608781 HZVGBWBVVRIGJW-UHFFFAOYSA-N 369.553 3.696 0 1 FHAF CC(C)=CCC/C(C)=C/CCC[C@@H](P(=O)(O)O)[P@](=O)(O)CO 13742084 MOUIHKXMHOTURX-MAUPQMMJSA-N 354.320 3.573 0 1 FHAF COC1=C[C@]2(C=CC1=O)C[C@@H](C)[C@@H](C)Cc1cc3c(c(OC)c12)OCO3 15210825 HNPONWCHSOUHHO-QRQYBIJMSA-N 356.418 3.549 0 1 FHAF biogenic CCN1C[C@H](CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21 28571448 XKYLLYRSYNHDDE-KRWDZBQOSA-N 353.441 3.727 0 1 FHAF O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)cn1 28889256 PABZJFZRAJANGX-UHFFFAOYSA-N 359.397 3.978 0 1 FHAF CCn1c(Br)ccc1C(=O)NCc1c(F)cccc1Cl 29048076 JKDQPKWKXBIPIM-UHFFFAOYSA-N 359.626 3.993 0 1 FHAF FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1 53084151 BFQIOOYNLCWKIJ-UHFFFAOYSA-N 360.383 3.904 0 1 FHAF CN1CCC[C@@H]1CCNCc1coc(-c2ccccc2Br)n1 72101008 NRDCYMYTYXBOHX-CQSZACIVSA-N 364.287 3.678 0 1 FHAF CN(C)Cc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114336280 YKVGSJWLOZXWNB-NRFANRHFSA-N 363.509 3.701 0 1 FHAF CCCSc1nc(C)sc1C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 169312382 CDUSNQGFNPWPJQ-FVLPDPDASA-N 366.552 3.623 0 1 FHAF COc1ccc(N2C(=O)C[C@H]([C@H]3C[C@@H](C(C)(C)C)CCC3=O)C2=O)cc1 195467220 ZJAKQAZFSNFVHD-IAOVAPTHSA-N 357.450 3.606 0 1 FHAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccc(Cl)cc2O[C@@H]31 220302837 QZKFEGKZSVFTNX-IBGZPJMESA-N 354.793 3.919 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1CCCC1 222379316 POHFVNMGAPNFAB-UHFFFAOYSA-N 361.449 3.574 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1OC1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 253783088 SPRAISFZWHQEFO-QXWBOSQLSA-N 356.466 3.595 0 1 FHAF CCOc1n[nH]c(-c2nc3cc(F)cc(Br)c3[nH]2)c1Cl 587064779 FQSCBCGJEUDEFX-UHFFFAOYSA-N 359.586 3.907 0 1 FHAF COc1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2n1 587191332 TVECSZOXAKBNDB-MRXNPFEDSA-N 368.437 3.923 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4ccnc4)c(F)c1)[C@@H](C2)C3=O 587425607 FXODAKILWYVWOG-BTYIYWSLSA-N 364.376 3.683 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1nc(C)c(Br)s1)[C@@H](C2)C3=O 587452157 QTBUOHKGBOABRZ-TVQRCGJNSA-N 366.236 3.711 0 1 FHAF CCn1ncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587579667 FKHSKWIMULFLIX-RXVVDRJESA-N 364.401 3.794 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccn2ccnc2c1 587590406 ZXYXFCLMKAQDOM-WIYYLYMNSA-N 358.353 3.743 0 1 FHAF CCn1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587754596 FFUQIHAVHUIHDB-QGHHPUGFSA-N 366.278 3.911 0 1 FHAF CCCn1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587766735 WVTRCWPCKPREEM-QLJPJBMISA-N 352.251 3.818 0 1 FHAF COC(=O)[C@@H]1C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587810000 SOSUFJJNYCPSAH-NSTVUXKKSA-N 370.262 3.537 0 1 FHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587936943 NDOIWPMOYLLTFV-ABKXIKBNSA-N 362.332 3.730 0 1 FHAF Cc1ccccc1NC(=O)NC(=O)CSc1nc2ccccc2nc1C 653819713 ZUNAITMOASVAQA-UHFFFAOYSA-N 366.446 3.687 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(OC(F)(F)F)cc1)NCC2 962928610 SESATVADUKLPLU-KRWDZBQOSA-N 364.367 3.522 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(SC)nc2NC)N1 962950699 SKEXAMDIQKVBNC-APPDUMDISA-N 353.495 3.735 0 1 FHAF C[C@@H]1CN(C)C[C@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963816509 CUVVXVCXENNQCJ-MWTRTKDXSA-N 361.489 3.669 0 1 FHAF CC(C)(C(=O)Nc1ccccc1)n1cc(-c2ccc3c(c2)OCCO3)cn1 74387611 ZOXBPVGGYMNCRG-UHFFFAOYSA-N 363.417 3.695 0 3 FHAF CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N(C)C 4081342 DSADLHQOPNXWKP-IEBWSBKVSA-N 372.852 3.919 0 1 FHAF O=C(CCc1nc2cccnc2n1Cc1ccccc1)NCc1ccccc1 4901184 YSMOOBCKCPXXSC-UHFFFAOYSA-N 370.456 3.729 0 1 FHAF Cc1ccc(-c2nnc(COc3cnn(C(C)(C)C)c(=O)c3Cl)o2)cc1 103217299 KKTNSJHGLZKHLP-UHFFFAOYSA-N 374.828 3.589 0 1 FHAF CC(C)CNC(=O)[C@@]1(C)CCCN1C(=O)c1c(Cl)cccc1Cl 61904594 VRZODTIDLDZRHP-QGZVFWFLSA-N 357.281 3.760 0 3 FHAF CON(C)C(=O)c1cn2c(C)c(C)nc2c2c1CC[C@@H](c1ccccc1)O2 28867262 VXHJWTUWKPYDLP-SFHVURJKSA-N 365.433 3.651 0 1 FHAF COc1cc(-c2nnc(-c3ccc(N(C)C)cc3)s2)cc(OC)c1OC 27518321 VRHORHIONOURMS-UHFFFAOYSA-N 371.462 3.964 0 1 FHAF COc1ccc(C[C]2c3cc(OC)c(OC)c(OC)c3C=CN2C)cc1 2356817605 LIMWRBNLBYWZBR-UHFFFAOYSA-N 354.426 3.760 0 1 FHAF O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2)C(F)F 36381550 NRYSIYZIRHQJSQ-UHFFFAOYSA-N 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CCCCOC(=O)[C@@]1(Cc2ccccc2)OC(=O)C(=Cc2ccccc2)O1 2356738202 CTSYOHDUKYEQBK-JOCHJYFZSA-N 366.413 3.883 0 1 FHAF CN1CC[C@@]2(Cc3ccccc3CN(C(=O)c3ccc(Cl)cc3)C2)C1 71992978 XDGNOGWGOHKLRQ-OAQYLSRUSA-N 354.881 3.860 0 1 FHAF COc1cc2ccnc([C@@H](OC)c3ccc4c(c3)OCO4)c2cc1OC 14697177 UZTFBGXIIOSHFC-FQEVSTJZSA-N 353.374 3.717 0 1 FHAF biogenic CN1CCC[C@@H]1CCNC(=O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@H]21 40525609 NZYFTXGDQKJVTP-RKVPGOIHSA-N 362.901 3.973 0 1 FHAF Cc1ccc(CN2C[C@H]3CN(Cc4ccccc4Cl)CCN3C2=O)cc1 85436234 AJGGJHNOZCKIHR-LJQANCHMSA-N 369.896 3.770 0 1 FHAF CCCCNC(=O)[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(C)C 82082453 LEUCORXOLBVSPQ-MRXNPFEDSA-N 374.510 3.557 0 1 FHAF O=c1ccoc2cc(OCc3cn(Cc4ccc(Cl)cc4)nn3)ccc12 84670861 LJDKUNXJHXWNKX-UHFFFAOYSA-N 367.792 3.665 0 1 FHAF COCCn1c(CC(C)(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 82186078 IRSBHJUVVZRMRW-UHFFFAOYSA-N 371.460 3.813 0 1 FHAF CCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1 82141794 WXBPBQBUHVOUTC-GASCZTMLSA-N 356.470 3.749 0 1 FHAF COc1ccc(C(=O)n2nc(C)c3nnc4cc(Cl)c(F)cc4c32)cc1 95561807 ITDSGUVCDWZQBV-UHFFFAOYSA-N 370.771 3.778 0 1 FHAF CC1=C[C@@](C)(/C=C/C(=O)O)[C@H]2C(C)=C[C@@]3(C)[C@@H](/C(C)=C\CO)O[C@@H]1[C@@]23C 238737500 HCHYEJZGKDRAGI-AVLGNFFCSA-N 358.478 3.888 0 1 FHAF COc1ccc(-c2cnc3c(NC4CCNCC4)snc3c2)cc1OC 653766297 IJRBPMWYMVBJBO-UHFFFAOYSA-N 370.478 3.539 0 1 FHAF Nc1cccc(-c2cc(-c3c(-c4ccc(O)cc4)n[nH]c3N)ccc2O)c1 584904950 YIPHDXIYQIAWDD-UHFFFAOYSA-N 358.401 3.986 0 1 FHAF in-vitro COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc4c1OCOC4)[C@@H](C2)C3=O 587421189 KPMMOLVBOGUDTC-ORAYPTAESA-N 358.777 3.704 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn2ccccc2n1 587585125 BHALPYBXIQSEJD-NQIIRXRSSA-N 358.353 3.743 0 1 FHAF O=C(c1c[nH]c2ccccc12)c1c(CO)oc2cc(Br)cnc12 587276650 PLJVBATWMYKEMS-UHFFFAOYSA-N 371.190 3.795 0 1 FHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587934678 DSYXRXTWBANRHS-PSLIRLAXSA-N 351.328 3.822 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)nc1F 587572496 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BXJVXACCPAXXML-QAXSQSOOSA-N 357.450 3.756 0 1 FHAF NC(=O)c1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1 40413857 VIUJGVHTZASMHN-UHFFFAOYSA-N 364.188 3.721 0 1 FHAF CC1(C)C=Cc2c(c(O)cc3c2[C@@H]2Oc4cc5c(cc4[C@@H]2CO3)OCO5)O1 59182642 JNKQIPSRLIRVDJ-FKIZINRSSA-N 366.369 3.915 0 1 FHAF biogenic O=C(c1ncc[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1 64548656 BDIBMCJJUQAJCG-FQEVSTJZSA-N 373.456 3.883 0 1 FHAF C[C@H](c1ccccn1)N(CCCCN)Cc1ncccc1C(F)(F)F 66077631 NXOVWJQOIFZYII-CQSZACIVSA-N 352.404 3.798 0 1 FHAF C=CC1=C(C(=O)Nc2ccccc2OC)[C@H](c2ccc(OC)cc2)OC1 73223758 JQPQVUGVMQCVGG-FQEVSTJZSA-N 351.402 3.896 0 1 FHAF COCCn1c(C2CC2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188858 RCOAEUHIXJBIHI-CQSZACIVSA-N 351.454 3.566 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@H]2CC[C@@H]1C3 85489362 PTVDSZPMJVQUCE-JUOVRFQDSA-N 362.510 3.892 0 1 FHAF biogenic,in-vitro O=C(O)c1cc(-c2ccccc2Cl)nc2c1cnn2Cc1ccncc1 95582985 KMJIVVXQQMTYML-UHFFFAOYSA-N 364.792 3.893 0 1 FHAF Fc1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)cc1 100107088 ZYUCXIZFZOAHEH-CEQLMSFQSA-N 365.477 3.889 0 1 FHAF O=C(NC1C[C@H]2CC[C@H](C1)N2C[C@H]1CCCO1)c1ccc2ccccc2c1 101444636 VONACKKTKYGFTQ-YPAWHYETSA-N 364.489 3.744 0 1 FHAF CC[C@@H](Cc1ccc(O)cc1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251398 KIXSJEJHLVMNMZ-SFHVURJKSA-N 361.507 3.925 0 1 FHAF CCCC1=Nc2ncnn2[C@@H](c2cc(OC)ccc2OC)/C1=C(/O)OCC 103539240 FSJRLQXRLHSMDJ-HMNTXPNISA-N 372.425 3.577 0 1 FHAF CCCn1c(Oc2cccc(OC)c2)nc2nc(C3CCCC3)[nH]c2c1=O 117366009 YMYCBNUDQBLQGI-UHFFFAOYSA-N 368.437 3.988 0 1 FHAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1F 473168160 KRAVUTURLMCULG-UHFFFAOYSA-N 364.332 3.780 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)cc(C)cc3[nH]2)cc1 586939913 UCCYAKIYWXAWTC-CQSZACIVSA-N 357.479 3.924 0 1 FHAF Oc1nccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586984277 DRRIWWXZQZIZBK-HNNXBMFYSA-N 373.254 3.611 0 1 FHAF N=C(N)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587091137 FQSQVXNCUVVCNQ-UHFFFAOYSA-N 351.357 3.563 0 1 FHAF O=C1c2ccccc2C(=O)N1C[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 587212159 LFXLTTSKOSRSRI-CQSZACIVSA-N 368.436 3.735 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4ccnc4)c(F)c1)[C@@H](C2)C3=O 587426131 LNLZFOLCRJCBSG-VBKZILBWSA-N 350.349 3.509 0 1 FHAF COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1cccc(C)c1)[C@@H](C2)C3=O 587448168 ZSZZHBLAGQADRW-HTAPYJJXSA-N 366.413 3.901 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccoc2CC[C@H]1CC(=O)O 587485445 VULZHCQGQLWECL-QKVFXAPYSA-N 370.401 3.836 0 1 FHAF CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(F)cc21 587502001 BHRNXRAJQPSLIQ-NRFANRHFSA-N 351.377 3.542 0 1 FHAF CCn1ncc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546130 IKMOCXAUWGKARM-BEFAXECRSA-N 370.792 3.965 0 1 FHAF Cc1noc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587213 MUZGCDXGGRPEOS-YLJYHZDGSA-N 351.358 3.874 0 1 FHAF CCc1ccc(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652363 PYLTXMLUTKZYRS-GFCCVEGCSA-N 356.809 3.720 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(C)c2C(F)F)N1 587717719 MCSJDIRQRHBVLL-UHLUBPPHSA-N 374.204 3.883 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc3ccccn23)N1 587767333 AKMHHPTWZTXYMW-HWPZZCPQSA-N 360.230 3.860 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCC[C@H](C2)N3C)N1 587775157 RBRQMXBLOROKDC-IUWMUCMRSA-N 367.306 3.964 0 1 FHAF CCCOc1cccc(Cc2nc3ccc(S(=O)(=O)CC)cc3[nH]2)c1 587777780 BZNWLFQOHYFVDS-UHFFFAOYSA-N 358.463 3.736 0 1 FHAF COC[C@@]1(CC(=O)C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587789703 DHHRLWSHRFTRDM-PIGZYNQJSA-N 372.278 3.579 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2N[C@@H]2c2ccccc2)N1 587790705 HRBABUTWTXTMJP-MXPWSYDVSA-N 361.258 3.877 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cocn1 587859224 SYSAOGZPHWPWQA-UHFFFAOYSA-N 352.177 3.932 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(O)c2ccccc2n1 587871980 ROEMBJMAIAJIBM-UHFFFAOYSA-N 350.353 3.726 0 1 FHAF COc1ccc(/C=C/Cc2nc3cc(OC)c(OC)cc3[nH]2)c(OC)c1 587930187 QTBDPMLNQQRRSN-AATRIKPKSA-N 354.406 3.853 0 1 FHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3c(Br)ccnc3[nH]2)cc1 587936736 LUAMZSPNVVUONX-OTYXRUKQSA-N 362.227 3.566 0 1 FHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587938150 UALGXVJTEMAJQY-QZTNRIJFSA-N 354.303 3.965 0 1 FHAF COC(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(C(=O)OC)cc34)c2c1 1772627593 BPLKUPGRQZBQAS-UHFFFAOYSA-N 362.385 3.813 0 1 FHAF Cn1ncc2c(=O)n(-c3ccccc3)c(SCc3cccc(F)c3)nc21 1857755698 RAQHCWUOYDUPLI-UHFFFAOYSA-N 366.421 3.551 0 1 FHAF COc1cc(C(=O)c2cnn(-c3ccccc3Cl)c2)cc(OC)c1OC 1857771012 VEQHRNYQEBQXOK-UHFFFAOYSA-N 372.808 3.783 0 1 FHAF COc1ccc([C@@H]2CC[C@H](Cc3ccc4c(c3)OCO4)[C@H]2CO)cc1OC 2356615168 XEJPIDQIKBBVKQ-BPQIPLTHSA-N 370.445 3.777 0 1 FHAF O=C(N[C@H]1CCc2ccccc21)c1cc(COc2c(F)cccc2F)on1 11814516 ZCDNLANVQHHFKZ-KRWDZBQOSA-N 370.355 3.949 0 3 FHAF CC(C)CCNC(=O)c1cccn2c(=O)c3c4c(sc3nc12)CCCC4 4971755 WUIQLVJMSLASEB-UHFFFAOYSA-N 369.490 3.564 0 1 FHAF CCOC(=O)c1sc(C)c2c(=O)[nH]c(-c3ccc(SC)cc3)nc12 6380762 WVSFUJUQXNAOJR-UHFFFAOYSA-N 360.460 3.859 0 1 FHAF CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21 13455228 QSPHJSYDRTUERE-WDEREUQCSA-N 361.225 3.828 0 1 FHAF COc1c2c(c3ccoc3c1OC)O[C@H](c1ccccc1)[C@@H](OC)C2=O 13480687 RQFGLCAICBCPKW-BEFAXECRSA-N 354.358 3.781 0 1 FHAF biogenic OCCCNc1cncc(-c2cncc(Oc3cccc(Cl)c3)n2)c1 13648357 GGTQQIDOJIMFSO-UHFFFAOYSA-N 356.813 3.779 0 1 FHAF COc1ccc(-c2ccc3ncnc(NC[C@@H]4CCCO4)c3c2)cc1OC 66139542 XVIBRDDFKMWBKA-INIZCTEOSA-N 365.433 3.905 0 1 FHAF NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1 66156944 LRMYTINNXLFYRJ-UHFFFAOYSA-N 367.430 3.645 0 1 FHAF O=C(Nc1ccccc1)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 84615529 DQLLEORXWPVYGE-QSFXBCCZSA-N 367.449 3.565 0 1 FHAF CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1-c1ccc(CN)cc1 85597484 YBUOHQCLSUAANL-GOSISDBHSA-N 371.477 3.579 0 1 FHAF biogenic,in-vitro Nc1nccn2c(C3CCC3)nc(-c3ccc(OC4CCOCC4)cc3)c12 96168342 OPUGFORVJNFZJK-UHFFFAOYSA-N 364.449 3.804 0 1 FHAF O=C(c1cc2ccccc2[nH]1)N1CCc2nc(COc3ccccc3)oc2C1 113251740 BFGAMSMUFUMEPA-UHFFFAOYSA-N 373.412 3.933 0 1 FHAF CC/C=C\C/C=C\C[C@H](O)/C=C/[C@H](O)[C@@H]1C[C@H]1[C@H]1CC=CCCC(=O)O1 139554018 FGQRGNDJJATRPA-DVAKYMBBSA-N 360.494 3.855 0 1 FHAF COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1[C@]21N=C(N)N(C)O1 140724444 NKVLGUSRQMKUPI-FQUBMZHMSA-N 371.525 3.751 0 1 FHAF O=C(/C=C/c1cc2ccccc2nc1Cl)NC1=C(C(=O)O)CCCC1 169326326 IGTQKGWKKCOSPJ-MDZDMXLPSA-N 356.809 3.930 0 1 FHAF O=S(=O)(Nc1nccnc1Nc1ccccc1Cl)c1ccccc1 299823789 VIIDNPISRDFGRS-UHFFFAOYSA-N 360.826 3.674 0 1 FHAF O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1ccc(Cl)cc1Cl 473134095 FGAPLXSBLPGZGI-UHFFFAOYSA-N 363.248 3.524 0 1 FHAF COc1cncc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586914462 NSODZBWCEUZAOW-UHFFFAOYSA-N 361.357 3.735 0 1 FHAF Oc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586999023 SEEFDWGPQHBZKX-DAFODLJHSA-N 359.179 3.930 0 1 FHAF COc1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587042012 GPUPLSUJDXYDFP-OAHLLOKOSA-N 359.838 3.880 0 1 FHAF Oc1ncnc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587070797 JNUSVUPSJCCQSF-UHFFFAOYSA-N 352.781 3.958 0 1 FHAF Fc1cnc(Cl)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 587084574 CQXZNPOUDJACFU-UHFFFAOYSA-N 367.215 3.578 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](c1nc2nc(Cl)c[nH]c-2n1)C1CCCC1 587227506 YPBWJQWBOJSZKI-LLVKDONJSA-N 351.838 3.714 0 1 FHAF Cc1ccc2c(ccc3nc(-c4cccc(-c5cnc(=N)[nH]c5)c4)[nH]c32)n1 587254161 ICQJEXHIPONQFD-UHFFFAOYSA-N 352.401 3.956 0 1 FHAF C[C@]1(c2ncccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333785 CTWXBIZIMDQYQQ-XLIONFOSSA-N 350.349 3.596 0 1 FHAF CCOC(=O)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349634 QISVULRIWVTIJZ-GHTZIAJQSA-N 370.376 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1c(C)cccc1C)O2 587387426 PSITUVVRIHXLGQ-OAQYLSRUSA-N 352.434 3.947 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCCCN1C(=O)OC(C)(C)C)O2 587394817 JGYJOOVPHOBFDY-WBVHZDCISA-N 360.454 3.701 0 1 FHAF COC(=O)[C@@]1(C)CCc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587399356 KIXBBBHAMBKZRE-YADHBBJMSA-N 365.429 3.563 0 1 FHAF COc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC 587400318 QMKZBHNYATXOGW-OAHLLOKOSA-N 357.406 3.618 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)OC(C)C)cc1)O2 587401589 STFONXUWQSDWQU-IBGZPJMESA-N 369.417 3.614 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1nccn1CC(F)(F)F)CC2=O 587461616 NPBDDQOQVBXTMG-AWEZNQCLSA-N 354.328 3.810 0 1 FHAF O=C(O)C1=COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531753 LWSIDNUSLARCGQ-QFIPXVFZSA-N 362.381 3.787 0 1 FHAF C[C@]1(c2ccc(F)cc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567000 DIPWWMSFIITJQD-WIYYLYMNSA-N 365.360 3.991 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nc[nH]c12 587592502 YYSHGTHGLCMBPV-UTKZUKDTSA-N 358.353 3.971 0 1 FHAF CC(C)CCC[C@@H](C)NC(=S)n1ncc2ccc(Cl)cc2c1=O 587654115 ICOBVWKTKXJPNU-GFCCVEGCSA-N 351.903 3.987 0 1 FHAF CCOC(=O)[C@H](CC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795757 JDWHFQJKFMSFAY-ZMNCSTGQSA-N 372.278 3.927 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3nccnc23)N1 587797664 ROBQWHIHMXABSX-VFZGTOFNSA-N 373.229 3.550 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)OCO3)N1 587835882 REOZUWCVHOXMEI-VVVCHXIZSA-N 364.214 3.941 0 1 FHAF COc1cc2c(cc1OC)[C@]1(C[C@H]3CC[C@]1(C(=O)O)C3(C)C)N(C)[C@@H](C)C2 962576318 WSHJQKFPCALFIY-SJKXOZMPSA-N 373.493 3.686 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C=C(NC)NC)(c2ccccc2C)N1 962961665 XZGQDXIXBLDPSK-BXKMTCNYSA-N 374.532 3.924 0 1 FHAF Nc1ccc2c(n1)CCC[C@@]21c2ccsc2CCN1Cc1cccnc1 963007761 JWRRVCVDEXKEQR-NRFANRHFSA-N 362.502 3.759 0 1 FHAF COc1cc([C@@]2(C)NCCc3cc4cccc(OC)c4nc32)c(F)cc1O 963052978 FNVGFNIGYSUCRO-OAQYLSRUSA-N 368.408 3.506 0 1 FHAF CCOC(=O)[C@H]1C[C@]2(C=C1C)c1cccc(Br)c1CCN2C 963289683 QJDHHVXPLIHPPV-KBXCAEBGSA-N 364.283 3.662 0 1 FHAF Oc1cc(Cc2ncc[nH]2)cc(Oc2cc(Cc3ncc[nH]3)ccc2O)c1 2356726165 QOJGTWLFQCAXLE-UHFFFAOYSA-N 362.389 3.518 0 1 FHAF COC(=O)C[C@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)[C@@H](O)C[C@@]12C 2356781367 BAZOEJHKVVCKQS-LADBNDDESA-N 350.499 3.914 0 1 FHAF COC(C)(C)[C@@]12C=C[C@](C)(O)CCC=C(C)CC[C@H](O)[C@@](C)(CC1)O2 2356788667 CHALLPMOTDQGLN-OYNPSCLESA-N 352.515 3.908 0 1 FHAF CCn1c(C(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)cc2sccc21 5085261 RLJVNKMDNBKHRW-AWEZNQCLSA-N 373.522 3.634 0 1 FHAF O=C(NC[C@@H]1Cc2cccc(-c3cccnc3)c2O1)c1ccc2cc[nH]c2c1 11910948 OIVTYRIUXWNFEX-IBGZPJMESA-N 369.424 3.963 0 1 FHAF CCOC(=O)C[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O 13860454 WOSMMAUYVJHEPL-INIZCTEOSA-N 374.799 3.590 0 1 FHAF COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(C)cc32)c(N)c1OC 26667303 NDUBEMBIKKGWMG-QGZVFWFLSA-N 351.450 3.505 0 1 FHAF O=C(O)C[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26730336 KWJPOKMUQVOHCW-JOCHJYFZSA-N 358.397 3.715 0 1 FHAF CCCCC/C=C\C[C@H]1O[C@H]([C@@H](O)C/C=C\CCCC(=O)O)C[C@H]1O 28895955 AWZVRICAMPEGBC-JXPKPLELSA-N 354.487 3.594 0 1 FHAF CONC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2 49111130 TZOPVWJXHWKJDG-SFHVURJKSA-N 365.433 3.548 0 1 FHAF Cc1ccc(N(O)C(=O)NCCCCNC(=O)Nc2cccc(C)c2)cc1 68586754 NEMVKZHBXCTWMD-UHFFFAOYSA-N 370.453 3.811 0 1 FHAF biogenic CCC(CC)c1cc(C)n2nc(-c3ccc(OC)nc3C)n(C)c(=O)c12 73222021 UBEBBWADLAFLDN-UHFFFAOYSA-N 354.454 3.624 0 1 FHAF CCCCC/C(O)=C(/O)C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 87723024 XXNXRGMLZTWGBL-TWOCDYAESA-N 368.470 3.930 0 1 FHAF COc1ccc(Oc2c(N)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 95563412 HKEBBOQWTGVCIH-UHFFFAOYSA-N 351.406 3.739 0 1 FHAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)s1 100969827 AZGJPBSOUXXLFR-RDRANACKSA-N 368.296 3.550 0 1 FHAF CC(C)C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@H](CC(C)C)C(=O)N1 103267046 QWAYUNUQNGRNBW-VNTMZGSJSA-N 356.510 3.578 0 1 FHAF O=C(CSc1n[nH]c2c3ccccc3nc-2n1)Nc1ccc(Cl)cc1 104003696 SJDUNSRDKRFUKC-UHFFFAOYSA-N 369.837 3.842 0 1 FHAF O=C(CO)Nc1nccc2nc(-c3c(Cl)cccc3Cl)sc12 114602507 STNUKAAYPUXCSZ-UHFFFAOYSA-N 354.218 3.596 0 1 FHAF O=C(Nc1ccncc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 145419514 RDBAWPSCDKMICW-UHFFFAOYSA-N 351.454 3.673 0 1 FHAF CCCCC[C@H](O)CO[C@H]1[C@@H]2C[C@H](N=N2)[C@@H]1CCCCCCC(=O)O 169314876 SWLJVTZGLZBTFR-BRFLTPSNSA-N 354.491 3.961 0 1 FHAF O=C1CS[C@H](c2c(F)cccc2Cl)N1C(=O)Nc1ccncc1 169351027 ITUIEUDJELYFJN-CQSZACIVSA-N 351.790 3.680 0 1 FHAF C[C@H]1CN(c2nccnn2)CC[C@H]1Oc1cc(C(F)(F)F)ccc1Cl 261152736 PFTDBWKSVBQWLD-GXFFZTMASA-N 372.778 3.838 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1C[C@@H](C(=O)O)C[C@H]31 586990952 PAZNAGYJQBROPG-WDMOLILDSA-N 371.392 3.902 0 1 FHAF CCn1cc(Br)c(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)n1 587001382 XCMVFCREHMYIPM-UHFFFAOYSA-N 374.164 3.546 0 1 FHAF CCCc1sc(=N)[nH]c1-c1nc2c(Cl)c(Br)cnc2[nH]1 587013535 PMDPWXLUVAJFLQ-UHFFFAOYSA-N 372.679 3.862 0 1 FHAF COc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C(F)(F)F)c1 587097668 MSINIFAJRDCJHV-CQSZACIVSA-N 350.300 3.981 0 1 FHAF COc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1OC 587116929 CCTHIQXRXXHYAB-UHFFFAOYSA-N 366.343 3.721 0 1 FHAF Fc1ccc(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(F)c1 587150147 KMZYIWMMNOYGAD-ZZXKWVIFSA-N 355.388 3.844 0 1 FHAF CC1=C(c2ccc3nc(-c4cc(N)cc5ccccc45)[nH]c3c2)NNC(=O)C1 587251986 PUGSVOFFPNESNX-UHFFFAOYSA-N 369.428 3.721 0 1 FHAF C[C@@]1(Cc2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340420 SQPGMXPYJKDBHY-FPOVZHCZSA-N 364.376 3.682 0 1 FHAF CCN1C[C@H](C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347837 VDFRIIVSQCZHQX-NQZBTDCJSA-N 355.409 3.601 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(N)c1)[C@@H](C2)C3=O 587433723 VCIVTYFAEHRKCN-CVDCTZTESA-N 357.409 3.969 0 1 FHAF COc1cc2c3c(c1)OC1(CCN([C@H]4CCCC[C@H]4C)CC1)[C@@H](C2)C3=O 587439085 SUEPILFUAYKSRI-JLSDUUJJSA-N 355.478 3.856 0 1 FHAF CCC[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452297 KORLNDSAUIISMI-ZHRRBRCNSA-N 366.413 3.909 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1Cc3ccccc3C(=O)O1)CC2=O 587491144 NHEABKRPEVRVSY-UGKGYDQZSA-N 366.413 3.850 0 1 FHAF COC[C@@]1(C2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591245 BTAKPMQASCECSC-NQIIRXRSSA-N 354.402 3.929 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(N)cc32)N1 587746408 MWGHBWVLEXQXTA-MGNBDDOMSA-N 361.258 3.894 0 1 FHAF Cc1nsc(N)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587857549 KYEGTRGIRGLVDV-MLXNANBUSA-N 370.291 3.733 0 1 FHAF COc1cc2c(cc1OC)[C@]1(CCOc3ccc(C)cc31)N(C)[C@@H](C)C2 962625545 JFUOPDFSZYJCMA-NYHFZMIOSA-N 353.462 3.915 0 1 FHAF Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc4n[nH]cc4c3)c2)n1 1857642570 LMTYLZVEOVXAOX-UHFFFAOYSA-N 371.400 3.771 0 1 FHAF Cc1ccc(NC(=O)N=c2[nH]ccnc2OCc2cccc(F)c2)cc1 1857770965 JAWQDYUBALNSEU-UHFFFAOYSA-N 352.369 3.569 0 1 FHAF CC(C)N(C(=S)N[C]1SN(C)C(=S)N1c1ccccc1)C(C)C 2356313753 XNLQCJJOWOPSQO-UHFFFAOYSA-N 367.589 3.812 0 1 FHAF COC(=O)[C@@]12CCC[C@]3(CO[C@@H]1OC)[C@@H]2CC[C@H]1[C@@H](C)c2ccoc2C[C@H]13 2356649586 QWJSPZRTYDZCNG-FTVCGIJNSA-N 374.477 3.914 0 1 FHAF O=C(CCN1CCC[C@H]1Cc1ccccc1)c1ccc2c(c1)OCCO2 1185980 RPHXTNLAEXOZHL-IBGZPJMESA-N 351.446 3.738 0 3 FHAF aggregator N[C@@H](Cc1ccccc1)c1nnc2sc(SCc3ccccc3)nn12 2232727 NGXPYAVHTWHOGY-HNNXBMFYSA-N 367.503 3.721 0 3 FHAF COc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCC2)cc1 3039863 ZTYTWLIPBTUJIQ-OAQYLSRUSA-N 370.493 3.682 0 3 FHAF CC(C)C[C@H]1NC(=O)c2cc(Cl)ccc2-n2c1nc1ccccc1c2=O 61949361 VOPDPSMCOVITQO-MRXNPFEDSA-N 367.836 3.870 0 3 FHAF C[C@](O)(C(=O)Nc1ccc(C(=O)c2cccc(Cl)c2)cc1)C(F)(F)F 13760217 NMZBPVVMHBQLOY-INIZCTEOSA-N 371.742 3.823 0 1 FHAF CCO[C@@H]1C[C@@H](C2=CCOC2=O)C[C@H]2c3c(c4ccccc4n31)CCN2C 14415800 HUPABXKIDWFUOR-PNHOKKKMSA-N 366.461 3.599 0 1 FHAF biogenic CCC(=O)Nc1cccc2c(OC[C@@H](O)[C@H](C)NC(C)(C)C)cccc12 28768507 ILFWZUZIDVBQIT-KBXCAEBGSA-N 358.482 3.705 0 1 FHAF Cc1ccc(C2=Nc3c(N)ncnc3N[C@@H](c3ccc4c(c3)OCO4)C2)cc1 40422290 BQYTXPHSSBCJCD-MRXNPFEDSA-N 373.416 3.774 0 1 FHAF Cc1cccc(Cl)c1NC(=S)OCCN1C(=O)c2ccccc2C1=O 40939141 QHEWDZUYQXQAKQ-UHFFFAOYSA-N 374.849 3.658 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](c3cc(C)ccc3C)CN1CC2 45368335 ABNNSLREZPBYPJ-HKBOAZHASA-N 366.505 3.735 0 1 FHAF CC(C)c1nc2c(NCc3cccs3)ncnc2n1C[C@H]1CCCO1 82178118 OJGMOCRFGIIIQI-CYBMUJFWSA-N 357.483 3.802 0 1 FHAF COCCn1c(-c2cccnc2)nc2c(NC3CCCCCC3)ncnc21 82190010 MLFRSFURZGDEJG-UHFFFAOYSA-N 366.469 3.669 0 1 FHAF CCOC(=O)c1c(-c2cccc(C(C)=O)c2)[nH]c2cc(OC)ccc2c1=O 95554750 DWJFDJGZZZAEDS-UHFFFAOYSA-N 365.385 3.583 0 1 FHAF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccc(N)s3)cc2)C[C@H]2CC[C@H]1N2C 101008652 RHXJIBSDVXHTMJ-YYAJDYIMSA-N 356.491 3.737 0 1 FHAF CC(C)C[C@@H](NC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12)C(=O)O 103229312 JJQZLGHDHPDOEO-RKDVLTNBSA-N 363.457 3.899 0 1 FHAF O=C(Cc1ccc(Cl)cc1Cl)N[C@@H]1COc2c1ccnc2Cl 146637715 WDZCXBFAIRIGJC-GFCCVEGCSA-N 357.624 3.834 0 1 FHAF O=C1c2ccc(COc3cccc(F)c3)nc2CCN1Cc1ccccc1 169331117 LNWRCPWIKGWYIR-UHFFFAOYSA-N 362.404 3.998 0 1 FHAF C[C@H](Cc1ccc(Cl)cc1)n1c(O)cc(=O)n([C@H]2C[C@@H]3CC[C@@H]2C3)c1=O 169729791 NJGIWGDFJBKGJA-MMTVNHQJSA-N 374.868 3.534 0 1 FHAF COc1ccc(NC(=O)N2CCN(c3nsc4ccccc34)CC2)cc1 299823712 STUCWLIZYBYUOK-UHFFFAOYSA-N 368.462 3.659 0 1 FHAF CNC(=O)CCC[C@@H](C)C[C@@H](OC(=O)[C@H](C)CCCCO)C(C)(C)C 299831269 JANKFHNXBKVLFG-BRWVUGGUSA-N 357.535 3.686 0 1 FHAF Cc1ccc2c3c(cc([C@@H]4CN(C)CC[C@]4(C)O)nc13)-c1ccccc1C2=O 587096137 DTSUXNLJLFWJHV-CYFREDJKSA-N 372.468 3.925 0 1 FHAF NC(=O)c1cccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587111217 BDPSHUAYTRLLMU-UHFFFAOYSA-N 356.307 3.896 0 1 FHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(C)ccnc2[nH]1 587112060 GNMAOCKPPWKVCY-QGZVFWFLSA-N 362.355 3.685 0 1 FHAF COC(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116212 UJBICFNEVKYHQL-UHFFFAOYSA-N 372.306 3.979 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587153341 YTQMIYDQMUDEJS-QWHCGFSZSA-N 362.401 3.906 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](NC(=O)OC(C)(C)C)C1)O2 587389479 KSDWZTHMQKLMDM-RBZFPXEDSA-N 360.454 3.749 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)CC[C@H]1C)O2 587393424 IGNJUDYAPGCYII-SZNDQCEHSA-N 374.481 3.948 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCN(C(=O)OC(C)(C)C)C1)O2 587396522 UCPJRQRLMJTIMU-HXUWFJFHSA-N 360.454 3.702 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1cccc(C3OCCO3)c1)O2 587407750 DUCNOWQWFNMBKA-MRXNPFEDSA-N 353.418 3.589 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1csc(=N)[nH]1)(c1ccccc1)O2 587414350 UGYZOXZZFXYTSD-HXUWFJFHSA-N 365.458 3.550 0 1 FHAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427543 IPUDCOGCTFAGJW-BQEZGVCGSA-N 353.393 3.553 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccnc1NC(=O)C(C)(C)C)[C@@H](C2)C3=O 587433680 UFJABFLQNDVJNS-KSSFIOAISA-N 366.417 3.564 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ncc(C)s1)[C@@H](C2)C3=O 587449063 DQNIJFKUMRRNAR-SCLBCKFNSA-N 352.415 3.740 0 1 FHAF C[C@]1(c2ncncc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587506375 XORFEPLZKNBSPF-GOSISDBHSA-N 373.250 3.999 0 1 FHAF CCCc1sc(-c2ccc3c(O)nc(O)nc3n2)cc1Br 587562550 FFVMIBNUKWHLHG-UHFFFAOYSA-N 366.240 3.880 0 1 FHAF CCn1nc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583670 WMWMLTXRROFLOV-FXAWDEMLSA-N 350.374 3.620 0 1 FHAF O=C(O)CC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604303 SGKPFXGFKKPOEN-QZIMMCEPSA-N 368.385 3.758 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)nn2)N1 587704577 JPHSGGHTXPPQQW-JKYUHCHBSA-N 356.626 3.655 0 1 FHAF COC[C@@]1(C)CC[C@H]2[C@@H](CC[C@@H]3C[C@H](OS(=O)(=O)O)CC[C@]23C)C1 653903382 RUMZNPVKFWUUSM-IZPLOLCNSA-N 360.516 3.844 0 1 FHAF COc1cc2c(cc1OC)[C@](C)(Cc1ccccc1C(=O)O)N(C)[C@@H](C)C2 962631756 ODKQPALHZSOPPZ-FPTDNZKUSA-N 369.461 3.736 0 1 FHAF COc1cccc2cc3c(nc12)[C@]1(NCC3)[C@H]2CC=C[C@@H]2C1(Cl)Cl 963047422 PYMUQASWTLUDMD-SUNYJGFJSA-N 361.272 3.964 0 1 FHAF COc1ccc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)nc1OC 963101354 AQUKOMNXDDVVGR-KRWDZBQOSA-N 353.249 3.815 0 1 FHAF O=C(c1ccccc1Cl)n1nc(OCCN2CCCC2)c2ccccc21 1857592878 ZNFVRQSXKUHURV-UHFFFAOYSA-N 369.852 3.853 0 1 FHAF c1ccc2c(c1)Cc1c-2nc2ccccc2c1NCCCN1CCOCC1 1857601451 XTCHZZQMHLJHFF-UHFFFAOYSA-N 359.473 3.940 0 1 FHAF N=c1[nH]c2ccc(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2s1 1857608370 FEWIACLEPXGFDG-UHFFFAOYSA-N 373.286 3.990 0 1 FHAF C[C@H]1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3 2356767469 BUCDUNQNZRSMJJ-LBPRGKRZSA-N 352.386 3.694 0 1 FHAF COC(=O)C1=Cc2c([nH]c3ccccc23)C(=O)[C@@H](O)c2c1[nH]c1ccccc21 2356790485 FQAZUVYFBRRLTN-FQEVSTJZSA-N 372.380 3.593 0 1 FHAF Cn1cc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 3581738 KEWYZVKHGDWOBD-UHFFFAOYSA-N 354.431 3.680 0 3 FHAF CC(C)(CO)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773639 AJIKRUCGWXIYDS-UHFFFAOYSA-N 368.408 3.896 0 1 FHAF CNC(=O)Oc1ccc(C(=S)Nc2ccc(Br)cc2)cc1 6481677 LDRZPLZTLYXXKX-UHFFFAOYSA-N 365.252 3.955 0 1 FHAF Cc1c([C@@H](C)NCc2cccc3nonc23)cnn1-c1cccc(F)c1 55053034 LNAPCNZAGPAEFV-GFCCVEGCSA-N 351.385 3.707 0 1 FHAF COc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC)[nH]n2)c(C)c1 61926689 FWERJMABUGEKJH-UHFFFAOYSA-N 355.369 3.794 0 3 FHAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCC[C@@H]1C[C@H](O)[C@H](C)C(=O)O1 2356861461 UJFSPDOPSFJXRP-RNJTYBCJSA-N 352.471 3.863 0 1 FHAF CCOC(=O)[C@H]1CCCN(C(=O)c2cccnc2Oc2ccccc2)CC1 61905386 QZIMSXBQJQYIGW-INIZCTEOSA-N 368.433 3.679 0 3 FHAF COc1ccc2nc(-c3cc(-c4ccc(NC(C)=O)cc4)cnc3N)[nH]c2c1 45201873 BPYZSSUWXZODEY-UHFFFAOYSA-N 373.416 3.841 0 1 FHAF Cc1ccc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc2n1 40953283 NELMSVTWQFLKAL-UHFFFAOYSA-N 361.489 3.740 0 1 FHAF COc1ccc(-c2cc(=O)c3c(O)c(C)c(OC)c(C(C)(C)O)c3o2)cc1 238771642 VCYSFOZDUINRQM-UHFFFAOYSA-N 370.401 3.719 0 1 FHAF O[C@@]1(c2ccc3c(c2)Nc2ccccc2S3)CN2CCCC[C@H]2CO1 261094922 FDTHFZBIIQURTN-YWZLYKJASA-N 354.475 3.925 0 1 FHAF O=C1C=C2C(c3ccc(C(F)(F)F)cc3)=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 653861643 FLUURRHFIDOHTD-BJZITVGISA-N 361.363 3.951 0 1 FHAF CC(C)[C@]1(c2nccn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587753834 JXPALPAVENXSSX-DIFFPNOSSA-N 366.278 3.756 0 1 FHAF Cc1cc(C)n(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587764851 RNHJGJQOWKFAFE-BMLIUANNSA-N 366.278 3.851 0 1 FHAF CCCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)n1 587381225 DCBRNEXGAKFSBM-AWEZNQCLSA-N 353.344 3.909 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccn2ccnc2c1 587590405 ZXYXFCLMKAQDOM-RXVVDRJESA-N 358.353 3.743 0 1 FHAF COC(=O)[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354851 VYNCJQUPYZGSOI-LZHZSBQWSA-N 370.376 3.602 0 1 FHAF FC(F)=C(C[C@@H]1CCCN1)c1nc2c(F)cnc(Br)c2[nH]1 587088546 OLQZSGJXGSWYIO-LURJTMIESA-N 361.165 3.609 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCCCC1OCCO1)(C1CC1)[C@@H](C2)C3=O 587456687 XMIUBVWWRDTSNC-KKSFZXQISA-N 358.434 3.525 0 1 FHAF COc1ccc([C@@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527530 WEUYLWDQUZAEGO-OAQYLSRUSA-N 352.386 3.519 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](C(=O)O)C2)N1 587827093 NMPIYVKLQDHJNS-LSYCYVAJSA-N 356.235 3.593 0 1 FHAF COC(=O)CCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587807568 LUYILBCVLHFBSF-GXFFZTMASA-N 358.251 3.897 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3cn[nH]c3cc2[nH]1 587079218 HMSPWZPOJOOTRC-ZDUSSCGKSA-N 350.813 3.816 0 1 FHAF O=C(NC[C@H]1Cc2cccc(-c3nccs3)c2O1)c1ccnc(Cl)c1 12023791 SVCKJEJZARRCOA-CYBMUJFWSA-N 371.849 3.592 0 1 FHAF CCN(C)C(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681837 FINYZPNAEUFDRR-BJTMNOAGSA-N 369.505 3.912 0 1 FHAF CCOc1ccccc1-c1nnc2n1N=C(c1cccc(OC)c1)CS2 13828729 WEDQPCYUYCLNPO-UHFFFAOYSA-N 366.446 3.711 0 1 FHAF O=C(c1cc(F)ccc1F)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 14947867 CRRBBAXRFMHDCH-OAHLLOKOSA-N 373.399 3.855 0 1 FHAF COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)N(C)CC[C@@]314 169717160 JUUYNFHQKQIBCF-OEDAOFSRSA-N 372.468 3.981 0 1 FHAF CCCCN(C)C(=O)COc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2 1857594835 SAABAAFJFBUOJZ-UHFFFAOYSA-N 371.433 3.615 0 1 FHAF CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc(OC)ccc2[C@@H]1C 3827951 HONGXMZKVFQXBV-ZDUSSCGKSA-N 352.438 3.526 0 1 FHAF C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 12624863 YJFRCGBSROETFJ-QLTQBXOZSA-N 367.917 3.897 0 1 FHAF Fc1ccc([C@H]2C[C@H]3CC[C@H](N3)[C@@H]2COc2ccc3c(c2)OCO3)cc1 13776991 HAHQKXHPHSTOFJ-OWYHZJEWSA-N 355.409 3.858 0 1 FHAF COCc1c(CO)cc(OC)c(C/C=C(\C)C/C=C/C(C)(C)OC)c1O 15120515 ZDQPYKPEXKAJMI-BIUQSXLLSA-N 364.482 3.900 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 27873587 CTXLUMAOXBULOZ-CWPKATCVSA-N 366.498 3.641 0 1 FHAF CC(C)(CN)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 28571694 ZPUWHZPEHISDSA-IBGZPJMESA-N 356.416 3.917 0 1 FHAF c1ccc2cc(OCCO[C@@H]3CCCC[C@H]3N3CCOCC3)ccc2c1 28653626 GUACQORHQAFRFP-FGZHOGPDSA-N 355.478 3.879 0 1 FHAF Nc1ccc2nc(NCCNc3nc4ccc(N)cc4s3)sc2c1 28903408 KHTXZHBJGIYHTL-UHFFFAOYSA-N 356.480 3.594 0 1 FHAF C[C@H](NC1=NC(=O)[C@](C)(c2ccc(CCO)cc2)S1)c1ccc(F)cc1 40393301 QQTAFRHJQHHJSE-RBZFPXEDSA-N 372.465 3.556 0 1 FHAF Cc1ccc(C)c(N2c3ccc(Cl)cc3S(=O)(=O)c3c(N)n[nH]c32)c1 40420889 JUEMASCYWSNRJR-UHFFFAOYSA-N 374.853 3.878 0 1 FHAF COc1ccc(C(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1OC 45364344 MNCGVBKRYALHTK-UHFFFAOYSA-N 360.406 3.545 0 1 FHAF Cc1ncn2c1Cn1nc(C(C)(C)C)nc1-c1cc(Br)ccc1-2 49033977 SQKPTEWYIPLZTB-UHFFFAOYSA-N 372.270 3.861 0 1 FHAF C[C@H]1CCc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 49034674 VLGARHNNCOWEGF-YBTHPKLGSA-N 351.837 3.941 0 1 FHAF COc1ccc(NC(=O)C2=C(C)Nc3n[nH]cc3[C@@H]2c2cccs2)cc1 64447620 RUTBPHQNXTXXQF-QGZVFWFLSA-N 366.446 3.950 0 1 FHAF Cc1nc(C(=O)NC2CC2)cc(-c2ccc(Cl)cc2Cl)c1CN 66102171 IAQISNVRWOWSKD-UHFFFAOYSA-N 350.249 3.715 0 1 FHAF COC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 71318929 HNEAOQOOUVUUJR-UHFFFAOYSA-N 354.366 3.569 0 1 FHAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N2CCC(C)CC2)c1 82146664 QBGZFFWWALUPMU-UHFFFAOYSA-N 364.493 3.924 0 1 FHAF Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4CC3CCOCC3)cc2)c1 100106640 FVGLHLOPBIIONY-UBRQYEGLSA-N 362.517 3.828 0 1 FHAF C[C@H]1[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4C[C@H](O)[C@@]3(C2)CN1C 255214295 GYABRMDCDGXMRC-WXLKIZJSSA-N 372.597 3.780 0 1 FHAF O=C(c1ccccc1)c1nnc2n1-c1c(F)cc(-c3cccnc3)cc1CC2 299866712 WJSHAQYNCUAKKV-UHFFFAOYSA-N 370.387 3.798 0 1 FHAF CCO[C@H](CC(=O)O)c1ccc(OCc2cccc(OCOC)c2)cc1 473111433 ZKVWPGFKFZFVAJ-LJQANCHMSA-N 360.406 3.801 0 1 FHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(C)ccc(C)c3[nH]2)cc1 586940764 FPRJHDANWBPONP-KHPPLWFESA-N 355.463 3.578 0 1 FHAF Cc1ccc(-c2nnc(SCc3nc4c(C)nc(C)cc4[nH]3)n2C)cc1 586965856 SJMKHWBCGCKSRP-UHFFFAOYSA-N 364.478 3.971 0 1 FHAF Cc1c(Br)cc2nc(-c3nnn(C)c3C(F)F)[nH]c2c1C 587127976 CXXCEFVZYIUDMU-UHFFFAOYSA-N 356.174 3.675 0 1 FHAF Nc1cc(F)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1N 587136379 FAYLFKKVQYRXMZ-UHFFFAOYSA-N 357.133 3.574 0 1 FHAF N[C@H](Cc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Br)cc1F 587142605 HSHJKSZMUNXDCU-GFCCVEGCSA-N 370.172 3.985 0 1 FHAF Fc1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(N2CCCC2)n1 587177382 GQGADNNJWAUYGU-UHFFFAOYSA-N 366.375 3.689 0 1 FHAF Oc1nc(O)c2ccc(-c3cc(Br)c(Cl)cc3F)nc2n1 587368710 VVWJSKUHECHQGU-UHFFFAOYSA-N 370.565 3.658 0 1 FHAF COC(=O)C[C@]1([C@H](C)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587400140 ONHPBMIQUSICRZ-SZNDQCEHSA-N 353.418 3.648 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)N[C@@H](c3ccccc3)C1)CC2=O 587479517 CKLCTORDDMQBCP-VGOFRKELSA-N 365.429 3.700 0 1 FHAF CS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530841 HUQIJIXLIQUKII-IBGZPJMESA-N 356.443 3.675 0 1 FHAF Nc1cccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575329 JDTXXIJCMDVSNP-SIKLNZKXSA-N 359.381 3.778 0 1 FHAF CC(=O)OC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601953 VXFXJNNZUDFFCO-UARVQCNDSA-N 368.385 3.598 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)cccc2F)N1 587718654 IXYUFRWADZOZEQ-VPTHRUTESA-N 353.210 3.933 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(N)cccc32)N1 587746381 MUMNEFXEWCEGSY-MGNBDDOMSA-N 361.258 3.894 0 1 FHAF COc1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(OC)c1O 587785207 JFVWIYRRQQASEM-UHFFFAOYSA-N 354.284 3.851 0 1 FHAF COc1ccc(C(=O)CSc2ncnc3c2sc(=S)n3C)cc1 957877299 UHFYVOUGCKUCRK-UHFFFAOYSA-N 363.489 3.743 0 1 FHAF CCNC(=O)c1noc2c1C[C@]1(C)c3cc(OC)ccc3CC[C@H]1C2(C)C 1772585952 ISPQKLNXTWWSBT-HTAPYJJXSA-N 368.477 3.787 0 1 FHAF O=C1NCCN1c1cncc(-c2ccc3[nH]cc(-c4ccccc4F)c3c2)n1 1857636852 OUFYOWHGJCSWTJ-UHFFFAOYSA-N 373.391 3.961 0 1 FHAF C[C@@H]1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C(=O)C1 1857754955 LFXGWFKCPKGROF-CZUORRHYSA-N 372.415 3.692 0 1 FHAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=C[C@H](O)OC1=O 2356392773 OMPUFZJBZRIZHJ-JMUDTHNNSA-N 362.466 3.520 0 1 FHAF COc1oc(CC=C(C)CC[C@@H](OC)C(C)=C[C@@H](C)O)c(C)c(=O)c1C 2356831809 JRYSFTQQWLHNHH-CRAIPNDOSA-N 364.482 3.876 0 1 FHAF COc1cccc([C@](C)(O)c2nc(-c3cccc(C(=O)O)c3)cs2)c1 61928829 MFTWSKNYGUUILX-IBGZPJMESA-N 355.415 3.773 0 3 FHAF Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1ccc2c(c1)OCO2 6818456 CGAQERDJSYYDAJ-UHFFFAOYSA-N 352.365 3.788 0 1 FHAF Oc1ccc(C(F)(F)F)cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1 59278931 WPAHZTDETWKSNN-LBPRGKRZSA-N 374.366 3.795 0 1 FHAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCCn4ccnc4)c3)c12 28885202 TWZBZUQMTPTOIH-UHFFFAOYSA-N 374.448 3.522 0 1 FHAF CC[C@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 101804603 KRRDPQUROQJNSW-YMPRXVIZSA-N 353.506 3.979 0 1 FHAF CC(=O)N1CCN(c2nc(-c3cc(C(F)(F)F)ccc3F)cs2)CC1 103229163 XTHXDHOHLKOSHG-UHFFFAOYSA-N 373.375 3.637 0 1 FHAF CCC(=O)N(c1c(F)c(F)c(F)c(F)c1F)[C@H]1CCC[C@@H]1N(C)C 28239339 SAIDPJNHMVNROB-IUCAKERBSA-N 350.331 3.608 0 1 FHAF O=C1[C@H]2CCCN2[C@@H](c2ccc(Cl)c(Cl)c2)N1c1nccs1 36082190 IIFBFALIGGKRDZ-CHWSQXEVSA-N 354.262 3.960 0 1 FHAF Cc1ccc2c(c1)S(=O)(=O)N=[S@]2c1ccc(Br)cc1 73195952 SIFBEIJCZLHUQX-GOSISDBHSA-N 356.266 3.680 0 1 FHAF O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(F)cc1)O[C@H](CCC(F)(F)F)C2 72139926 FCVWXLHBBVCZFH-ZWNOBZJWSA-N 374.359 3.945 0 3 FHAF CC[C@@H](C)C(=O)O[C@H]1C(=O)c2c(O)cc(OC)cc2O[C@@H]1c1ccccc1 49089463 JAOSOUFNEUGWHA-BYYRLHKVSA-N 370.401 3.675 0 1 FHAF COc1cc(Cl)c(Nc2nc(C)nn([C@@H](C)C3CC3)c2=O)c(Cl)c1 49034059 FHRBLGNXGIAMBR-QMMMGPOBSA-N 369.252 3.977 0 1 FHAF O=C(Cc1ccc(Cl)cc1C(F)(F)F)N[C@@H]1COc2ncccc21 146666497 YANMOTFILUAEBF-CYBMUJFWSA-N 356.731 3.546 0 1 FHAF COC(=O)c1cccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1 95562125 DNLKEYDSXUTYLC-UHFFFAOYSA-N 357.365 3.937 0 1 FHAF CCOc1cc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(F)cn1 96172897 SAZAYSMIVMOTLQ-CQSZACIVSA-N 372.440 3.970 0 1 FHAF CCNCCc1cc(OC)c(OC)cc1CCc1ccc(OC)c(OC)c1 85642187 SRQXBTFBXQLFBQ-UHFFFAOYSA-N 373.493 3.658 0 1 FHAF biogenic CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 586936565 IUJXOKDNDNKDEA-INIZCTEOSA-N 363.870 3.892 0 1 FHAF O=S(=O)(c1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1)C(F)(F)F 587022980 HEDBASVNZSTUFJ-UHFFFAOYSA-N 367.761 3.633 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(C=O)c1)[C@@H](C2)C3=O 587419278 UFCUXABTFLWGBU-KSSFIOAISA-N 373.202 3.759 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c4c(c1)OCCCO4)[C@@H](C2)C3=O 587418530 BWPUWNYLMDLOQZ-DJJJIMSYSA-N 372.804 3.999 0 1 FHAF Cc1ccc([C@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587609645 OMTZNNXJKOMRRB-KNQAVFIVSA-N 362.381 3.550 0 1 FHAF COc1cncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587584507 APDSHNCTYMZSDF-GHTZIAJQSA-N 363.369 3.673 0 1 FHAF O=C(O)c1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587168640 KVNPVXRQNRPOFA-UHFFFAOYSA-N 363.352 3.525 0 1 FHAF COc1cc(C)ccc1OCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587563621 GPTCZUYIHCJLDD-UHFFFAOYSA-N 352.369 3.784 0 1 FHAF CC(C)N1CCC([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587580755 DIXXYETXQJJKCT-UGKGYDQZSA-N 367.445 3.843 0 1 FHAF Cc1ccc2c3c(cc(CC(=O)CCC(=O)O)nc13)-c1ccccc1C2=O 587100473 KZTUXDVUEZJWFO-UHFFFAOYSA-N 359.381 3.731 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2nc(O)[nH]c2c1 587590628 SWJGLHHMNHJOFT-FXAWDEMLSA-N 374.352 3.677 0 1 FHAF CCOC(=O)[C@@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105912 HAVPHJBWSYQAAG-IBGZPJMESA-N 359.381 3.682 0 1 FHAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccnc(Br)c3[nH]2)c1 587051518 YACYGKHONZHCII-UHFFFAOYSA-N 365.618 3.999 0 1 FHAF COc1cc2c(cc1OC)[C@]1(CC[C@@H](O)c3ccccc31)N(C)[C@@H](C)C2 962629819 QANDLFSUWWPPEM-BPSNYSSFSA-N 353.462 3.651 0 1 FHAF Cc1ccc([C@]2(c3cc(F)cc(F)c3)NCCc3c(C)ccnc32)cn1 963071526 JLJQZRCREOZTDT-OAQYLSRUSA-N 351.400 3.809 0 1 FHAF Cc1ccnc2c1CCN[C@H]2c1cnc(N(C)Cc2ccccc2)s1 963068395 KQDLNYVXDHUADR-IBGZPJMESA-N 350.491 3.718 0 1 FHAF CCc1oc2ccccc2c1[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963468951 JFEAADYJJAUWLE-MGPUTAFESA-N 351.402 3.698 0 1 FHAF CN(C)CCN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 12671596 TZYDTPVLMWSHME-ULGHJEHQSA-N 374.569 3.658 0 1 FHAF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc([C@H](C)O)cc2)cc1 13685958 KXKYKXBERNRULI-ZDUSSCGKSA-N 363.465 3.536 0 1 FHAF C[C@H](Cc1ccccc1)Nc1ncnc2c1nnn2CCc1ccccc1 13778562 XBEJTBQLWJTNCK-MRXNPFEDSA-N 358.449 3.507 0 1 FHAF Cc1cc2ccccc2n1CCNC(=O)c1cnc2ccc(F)cc2c1O 169352261 ITMGQBQIGINJDV-UHFFFAOYSA-N 363.392 3.773 0 1 FHAF Cc1noc(C)c1CSCC(=O)N1C[C@H](C)N(c2ccccc2)[C@H](C)C1 1857608536 MSVPDQQKVQBLHA-GASCZTMLSA-N 373.522 3.650 0 1 FHAF O=C(O)CCCN1CCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1 1857619197 PBNJVGIMXQAIIB-KRWDZBQOSA-N 351.406 3.892 0 1 FHAF O=C1Nc2c(COc3ccccc3O)ccnc2N(C2CC2)c2ncccc21 5933959 VWHVOQANFNSYFT-UHFFFAOYSA-N 374.400 3.627 0 1 FHAF CC(=O)c1ccc(O[C@H]2C=C[C@@H](c3ccc(Cl)cc3)O[C@@H]2CO)cc1 7992523 WAARVUWZNIKQDS-SLFFLAALSA-N 358.821 3.979 0 1 FHAF CCC[C@@H](C(=O)c1ccc(I)cc1)N1CCCC1 13682054 QXBWECFEEZMKTN-AWEZNQCLSA-N 357.235 3.738 0 1 FHAF in-vivo Cc1cc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)no1 23994057 SVWGHMQKZYGAIP-DLBZAZTESA-N 367.430 3.594 0 1 FHAF Cc1ccnnc1N1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 28390163 WLJFCEYTIGUBKF-UHFFFAOYSA-N 373.460 3.806 0 1 FHAF CC(C)N(CC[C@](CCN(C)C)(C(N)=O)c1ccccc1Cl)C(C)C 39254143 MDMJDPHBWLEHAF-FQEVSTJZSA-N 367.965 3.524 0 1 FHAF Cc1cnc(Nc2cccnc2)nc1Nc1ccccc1C(=O)NC(C)C 45228118 RWVYUHUJKUHONS-UHFFFAOYSA-N 362.437 3.805 0 1 FHAF C[C@@H]1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C(=O)O)C1 49036401 NZBHIMJNVRNYER-CYBMUJFWSA-N 353.418 3.753 0 1 FHAF CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(F)cc2)NC(=O)N1 73313995 GXHAWAFVASDLGT-SFHVURJKSA-N 360.429 3.967 0 1 FHAF Nc1cccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)c1 101394957 SOLKSGCXDJQTSK-UHFFFAOYSA-N 364.470 3.861 0 1 FHAF CN1CCC[C@@H]1CCN1CCOc2cc(NC(=N)c3cccs3)ccc21 142000560 YIEYZIOGVYDXMB-MRXNPFEDSA-N 370.522 3.869 0 1 FHAF CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C1(O)CCCC1)/C=C/C=C/3CO 169296447 HTKFJZJCVCZWBR-WWEXZVBMSA-N 372.505 3.787 0 1 FHAF Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccccc3)cc12 169350929 XGVWMRQNKQBTJA-UHFFFAOYSA-N 352.397 3.915 0 1 FHAF COc1ccc(NC(=O)[C@H]2C(C)=Nc3[nH]ncc3[C@H]2c2ccco2)cc1 169724243 XGLRBTZMZXTUSP-IRXDYDNUSA-N 350.378 3.504 0 1 FHAF CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1cnc2ccccc2c1 169730674 PCKGOMCYVCYQNX-OALUTQOASA-N 362.385 3.621 0 1 FHAF Cc1ccc(N2CCc3ncnc(NCc4ccc(C)cc4C)c3C2)nc1 202609475 RFTXAAAHBIEZSA-UHFFFAOYSA-N 359.477 3.972 0 1 FHAF CN1CCN(c2ccc3nc(-c4ccc5c(c4O)CCCC5)[nH]c3c2)CC1 586898538 OYMMCSCLVVKQMS-UHFFFAOYSA-N 362.477 3.566 0 1 FHAF COC(=O)C[C@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586990187 ASBNXSUDMRVYAO-LLVKDONJSA-N 359.381 3.745 0 1 FHAF COc1cc(/C=C\c2nc3cnnc(O)c3[nH]2)cc(Cl)c1OCC(C)C 587046930 PKSKYPDXHKOIGJ-PLNGDYQASA-N 374.828 3.926 0 1 FHAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccnc(O)c2[nH]1 587191485 VKRNLNCTBVVJSU-HNNXBMFYSA-N 354.410 3.620 0 1 FHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2nc(Cl)c[nH]c-2n1 587200813 ADNFJNBTOMMVKB-UHFFFAOYSA-N 353.854 3.539 0 1 FHAF CC[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342288 MOWNALRDKUZQCV-TZIWHRDSSA-N 366.392 3.929 0 1 FHAF C[C@@H]1C[C@@]2(CCN1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349391 YRUBALQHOVDDLH-WHIIXXIBSA-N 355.409 3.743 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(F)cc3)c1C)O2 587383686 DVOJKWYZRUARJW-IBGZPJMESA-N 351.381 3.917 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1ccc(F)cc1)O2 587386466 ZCEKXQUGBLHFSN-FQEVSTJZSA-N 357.381 3.832 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4ccccc4)c1C)[C@@H](C2)C3=O 587433605 ZLSHTHXNWDOROG-JTSKRJEESA-N 360.413 3.852 0 1 FHAF Nc1cc(F)cc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558372 ROUAYVWRYZPFII-XLIONFOSSA-N 369.323 3.956 0 1 FHAF C[C@@]1(c2ccnc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567879 FPSZCFBCAKPLOT-PXNSSMCTSA-N 351.333 3.803 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2[nH]1 587588369 KCPDSWWIFLFWGR-XLIONFOSSA-N 358.353 3.971 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)c(Cl)c2)N1 587700006 UEJHGAOSXPEAOZ-UOWDBTKRSA-N 371.637 3.966 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)nc2)N1 587708052 XPKMGMRTSKSPJH-CPFSXVBKSA-N 356.626 3.655 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N(C)C)N1 587755859 PTQJIAUXQUMYHB-QFYYESIMSA-N 364.262 3.673 0 1 FHAF Cc1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1C 587774751 XIMHXBDQSMRMJI-RBHXEPJQSA-N 364.262 3.927 0 1 FHAF COc1ccc(-c2cccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)cc1O 587787556 VEYVDTLGCQCKIE-UHFFFAOYSA-N 358.401 3.895 0 1 FHAF COC(=O)CCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587807566 LUYILBCVLHFBSF-GWCFXTLKSA-N 358.251 3.897 0 1 FHAF Cc1nsc(N)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587860119 ZYYBJIPQIWCHOT-NZFNHWASSA-N 370.291 3.733 0 1 FHAF CCOC(=O)[C@H](C)[C@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962716949 UHCDVYFLLRVLOP-IQUTYRLHSA-N 351.487 3.604 0 1 FHAF Cc1ccccc1C[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962956083 BHWAWTDRNXQTDF-LSDHHAIUSA-N 351.780 3.809 0 1 FHAF CCS[C@@H]1C[C@H]2C(=O)Nc3ccc(-c4ccccc4)cc3C(=O)N2C1 2356693098 XEFIMVCWHURTBU-QAPCUYQASA-N 352.459 3.642 0 1 FHAF CC(=O)Nc1c(C(=O)N2CCCCCC2)cnn1-c1ccccc1Cl 644290 GFPAFMSLOYGWCB-UHFFFAOYSA-N 360.845 3.500 0 3 FHAF CC(C)N(C(=O)CSc1nnc(CNc2ccc(F)cc2)o1)C(C)C 1328750 NEAALXGGDXEJQH-UHFFFAOYSA-N 366.462 3.558 0 3 FHAF Cn1c(=O)oc2cc([C@@H]3CCC(=O)N3Cc3ccc(Cl)cc3)ccc21 1624928 XFWTULNZDIIKDT-HNNXBMFYSA-N 356.809 3.649 0 1 FHAF O=C(O)C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356302727 VDHUJVZUQYFSNX-MSOLQXFVSA-N 363.461 3.718 0 1 FHAF COc1ccc2nc(C[C@@H]3CN(CC(C)(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356319296 UJTQJCSAEUAEQI-HUUCEWRRSA-N 373.497 3.573 0 1 FHAF O=c1/c(=C/c2ccccc2)sc2nc(-c3ccc(Cl)cc3Cl)nn12 2967419 FLFURIDWZHGMGU-ZSOIEALJSA-N 374.252 3.673 0 1 FHAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)C[C@@H]2N3)cc1 100106606 XIXFSANCWHPGSO-BKFWDETESA-N 355.485 3.997 0 1 FHAF Cc1cc2nc(-c3ccc(C(=N)N)cc3)cn2cc1-c1ccc(C(=N)N)cc1 29124213 YXUQWOWGTLVASX-UHFFFAOYSA-N 368.444 3.545 0 1 FHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](OCCO)(C1CCCCC1)C(=O)N2 219549481 LLCVVRKXBSZUEI-NRFANRHFSA-N 370.449 3.695 0 1 FHAF Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NCC(F)(F)F 1911581615 ONUJMPODIHBQHW-UHFFFAOYSA-N 365.277 3.620 0 1 FHAF Cc1ccc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CN1CCOCC1 45302675 KHXJDDCNFHQWOM-LSWJPFSZSA-N 370.537 3.772 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H](C)C(C)C 222370193 OLQLOEJZYFROOC-LBPRGKRZSA-N 363.465 3.676 0 1 FHAF CC[C@@H](COC)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C 45300932 YTAPRWQKBIKNCJ-HNNXBMFYSA-N 369.469 3.586 0 1 FHAF Cc1ccccc1CN1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1 96900124 CCTPGUQMKQKYAJ-DNQXCXABSA-N 364.533 3.810 0 1 FHAF CCOC(=O)CCN1CC[C@@]2(c3ccccc3)C[C@H]1Cc1ccc(O)cc12 299846639 IROPFOGSPUMRBG-XXBNENTESA-N 365.473 3.652 0 1 FHAF C[C@@H](C(=O)O)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1CN(CCN)C2=O 299839019 WWHFEXUPYPPAKQ-PEBXRYMYSA-N 372.509 3.647 0 1 FHAF O=C1c2ccccc2C(=O)N1CCCCCNCc1ccc(F)cc1F 299861482 LMFZZLKPWAMHLC-UHFFFAOYSA-N 358.388 3.521 0 1 FHAF CCOC(=O)c1ncn2c1c(C)c(C(=O)OC(C)(C)C)c1ccccc12 653827940 SYRQLFBVPVQCAR-UHFFFAOYSA-N 354.406 3.928 0 1 FHAF CS(=O)(=O)Nc1ccccc1Cc1nc2cccc(C(F)(F)F)c2[nH]1 586950119 QICDASCPEOKVOH-UHFFFAOYSA-N 369.368 3.544 0 1 FHAF COc1cc(/C=C\c2nc3ccnc(OC)c3[nH]2)ccc1Br 586976415 JSJDGEPUABVEDR-XQRVVYSFSA-N 360.211 3.908 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(N)c(N)c1)O2 587388851 HHTWSVFUEVHMFK-QFIPXVFZSA-N 359.429 3.651 0 1 FHAF O=c1c(-c2nc3c(Cl)ncnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170866 FZHZFQMQVIJSMT-UHFFFAOYSA-N 373.750 3.601 0 1 FHAF Cc1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C 587338237 BXDMLGQJOUEXKV-TZIWHRDSSA-N 366.392 3.848 0 1 FHAF CCN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C)C1 587344804 NSDQYVBSNAMQJC-XDCJIHQESA-N 369.436 3.991 0 1 FHAF Cc1ccc2c3c(cc(-c4cc(C(=O)O)n[nH]4)nc13)-c1ccccc1C2=O 587096093 GMNSHAWEKBOATC-UHFFFAOYSA-N 355.353 3.843 0 1 FHAF CCOC(=O)[C@@H](Cc1ccccc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397802 BAFCOYKPSIABHM-VGOFRKELSA-N 367.445 3.723 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 587235248 IUJIWKBDLJAIQL-DGCLKSJQSA-N 359.426 3.812 0 1 FHAF COc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 587073103 BELAWWVJXNOSPO-UHFFFAOYSA-N 353.813 3.840 0 1 FHAF Cc1cc2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2c(C)n1 587074005 OXXZYNZQZBFODX-UHFFFAOYSA-N 352.829 3.843 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CCC[C@H]3C2)N1 587794448 VALIJQPIOJPIGK-ZUCKAHLUSA-N 353.279 3.576 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(C)(C)C)nn2)N1 587758244 IDPPIZUYVHZUFJ-VFZGTOFNSA-N 367.266 3.558 0 1 FHAF COc1ccc(OC)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1OC 587925425 HKYBORYPYWTRGS-UHFFFAOYSA-N 356.275 3.812 0 1 FHAF CCOC(=O)[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798616 PNJFEXHPDRFYLF-QFYYESIMSA-N 358.251 3.537 0 1 FHAF C[C@@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175037 VOYRLYXDHQQKSC-INIZCTEOSA-N 365.286 3.744 0 1 FHAF Cc1nn(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587697671 ORGAHLGANXMPQZ-NXSYQRQQSA-N 372.669 3.907 0 1 FHAF COc1cc2c(cc1OC)[C@@]1(C[C@H]3CC[C@]1(C(=O)O)C3(C)C)N(C)[C@@H](C)C2 962576295 WSHJQKFPCALFIY-AFBWGOPGSA-N 373.493 3.686 0 1 FHAF Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(Cc3cc(C(C)C)n[nH]3)C2)n1 1772586374 UUDIYABFMNMWRN-MRXNPFEDSA-N 364.497 3.627 0 1 FHAF CN[C@H](COc1cnc(Cl)c(Br)c1)Cc1ccccc1 13819693 ZOEVWFQHSZTCCO-LBPRGKRZSA-N 355.663 3.707 0 1 FHAF OC1(CNCc2ccnc(-c3ccc(C(F)(F)F)cc3)n2)CCCC1 204412952 PVNBOTUJQIFILA-UHFFFAOYSA-N 351.372 3.557 0 1 FHAF CC[C@H](C)NC(=O)c1c(NC(=O)c2cccc(F)c2)nc2ccc(C)cn12 1857589988 XGNWZZKHLPZIBP-ZDUSSCGKSA-N 368.412 3.562 0 1 FHAF COc1ccc([C@@H]2CC(=O)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc1 27093833 YGGNBVAZKOYDGM-LBPRGKRZSA-N 369.804 3.814 0 1 FHAF NCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 28825827 ZZCOEWWKVXCNQQ-UXBLZVDNSA-N 361.489 3.991 0 1 FHAF CC(=O)c1nc2ccccc2n1CC(=O)c1ccc(Br)cc1 29127799 INSOHNQXXAHSKE-UHFFFAOYSA-N 357.207 3.884 0 1 FHAF COc1ccc2c(c1)c1oc(-c3nnn[nH]3)c(OC)c1n2-c1ccccc1 29393372 DCEMUONUJXUSHM-UHFFFAOYSA-N 361.361 3.574 0 1 FHAF O=C(NN1CCc2ccccc2C1)Oc1ccc(C(=O)c2ccccc2)cc1 29467490 HUAIQRGCPXVBHD-UHFFFAOYSA-N 372.424 3.979 0 1 FHAF O=C1NCc2ccccc2C[C@]12CCN(Cc1c(F)cccc1Cl)C2 71994174 UPSYBBLSOLVCLL-FQEVSTJZSA-N 358.844 3.544 0 1 FHAF CCNCCc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)cc1 72177248 GDVVORARMGIDKJ-UHFFFAOYSA-N 358.449 3.916 0 1 FHAF COc1cc2c(cc1OC)N(C)C(=O)CN=C2c1cc2ccccc2s1 73168877 BIFHZUCGQTZVPT-UHFFFAOYSA-N 366.442 3.732 0 1 FHAF COc1cc(OC)c2c(c1/C=C\[C@@H](C)O)O[C@H](c1ccccc1)CC2=O 95486272 XNQZHTLUJNFMIV-HZGJHGJUSA-N 354.402 3.804 0 1 FHAF biogenic,in-vitro CCOC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccn3CC)cc1)N2 253791667 TUTFNCHCPZEQJC-CTAFRAEOSA-N 352.478 3.962 0 1 FHAF COC(=O)c1oc(-c2ccc(O[C@H]3C[C@H](N4CCCCC4)C3)cc2)nc1C 299849315 HLHCBXACXOAEIP-SAABIXHNSA-N 370.449 3.832 0 1 FHAF CS(=O)(=O)c1cccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 586924910 CKGXGQMAGRHWRJ-UHFFFAOYSA-N 356.325 3.532 0 1 FHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1 586929893 CNEMFHUDUQMPNM-UHFFFAOYSA-N 365.405 3.539 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979526 ORPCOXKKWNCFRZ-GFCCVEGCSA-N 366.606 3.765 0 1 FHAF N[C@H](Cc1nc2ccc(Br)c(O)c2[nH]1)c1ccccc1Cl 587058409 VFFCTFJSUIEDLQ-LLVKDONJSA-N 366.646 3.927 0 1 FHAF Oc1nc(NCc2ccccc2)c2nc(CCc3ccccc3F)nc-2[nH]1 587150486 RUCLQMMAZCXQJF-UHFFFAOYSA-N 363.396 3.547 0 1 FHAF CCOC(=O)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587344000 BCZLXWPLSNUOCM-JKPXSAOISA-N 370.376 3.602 0 1 FHAF COc1ccc(-n2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587389953 DUMCJRBARDPNPM-HXUWFJFHSA-N 363.417 3.786 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(c3ccccc3C)CCOCC1)O2 587415283 ZKRXAKSCJIYHJO-HXUWFJFHSA-N 351.446 3.968 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)cc(C(=O)OC)c1)CC2=O 587477019 HFGOVDMEBSVFTF-LJQANCHMSA-N 370.401 3.846 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Cl)nn1 587655464 IITSXNHTQUOENL-UHFFFAOYSA-N 370.746 3.774 0 1 FHAF O=C(O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660024 MJJYMCUMOZCAGU-UHFFFAOYSA-N 360.344 3.890 0 1 FHAF CCCn1ccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757894 WCOVPNOUNBTGJE-BONVTDFDSA-N 352.251 3.818 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(O)c2)N1 587833827 PKRJDYJOAXPDFR-ZKANADHPSA-N 352.203 3.623 0 1 FHAF O=C1NNC(c2ccc(Cl)cc2)=C[C@H]1c1cccc(Br)c1 957574202 WLICRDREWBBSLG-AWEZNQCLSA-N 363.642 3.862 0 1 FHAF NC(=O)N1CCc2sccc2[C@@]1(c1ccccc1)c1ccc(O)cc1 962694861 BPDSXYKKBKMWLJ-HXUWFJFHSA-N 350.443 3.682 0 1 FHAF COc1ccc2c([C@@H]3NCCc4cc5cccc(OC)c5nc43)cn(C)c2c1 963041561 XWFXMDQYLURJMJ-QHCPKHFHSA-N 373.456 3.979 0 1 FHAF CCN(C[C@H]1NCCc2cc3cccc(OC)c3nc21)C(=O)OC(C)(C)C 963063051 YYQMHVRHHBFFSE-MRXNPFEDSA-N 371.481 3.687 0 1 FHAF Cc1ccccc1NC(=S)N[C@H](NC(=O)/C=C/c1ccccc1)C1CC1 1772620531 RIIKFDMALFGPIS-IXDOJHRFSA-N 365.502 3.847 0 1 FHAF CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1cccc(C(C)(F)F)c1 1857565785 XUAVQMWIVICCIW-INIZCTEOSA-N 357.360 3.776 0 1 FHAF O=C1CCCC2=Nc3nonc3N[C@H](c3ccc(Cl)cc3Cl)[C@H]12 1857593374 HFRIRNBBEHYYQZ-QWHCGFSZSA-N 351.193 3.985 0 1 FHAF O=C1C[C@@H]2O[C@@H](C=C[C@@H]2O)CC=CC[C@H](c2ccc3ccccc3c2)O1 1857742365 WOAFGLPKANJQPZ-MHTWAQMVSA-N 350.414 3.849 0 1 FHAF COc1ccccc1C(=O)N[C@H](CC(=O)O)c1ccc(Cl)cc1Cl 1857746584 CHZBGPGKLAZYIO-CQSZACIVSA-N 368.216 3.948 0 1 FHAF CC=C(CN(C)C)[C@H]1CC(=O)c2[nH]c3ccccc3c2C=C[C@H]1C(=O)OC 2356736969 GAEVJZYUDKVBCT-QZTJIDSGSA-N 366.461 3.681 0 1 FHAF CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccccc2)O3)c1 61930093 HWWALCOSLSUKHJ-FQEVSTJZSA-N 358.397 3.893 0 3 FHAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCC(C)(C)CO 4216535 RNEVKZSLZUEJBL-RTBURBONSA-N 360.498 3.835 0 1 FHAF Cc1cc(=O)c(-c2ccccc2F)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581179 ZGQDYDMRFRTLDT-UHFFFAOYSA-N 358.390 3.825 0 1 FHAF O=C(/C=C/c1ccc(C(F)(F)F)nc1)Nc1ccc2c(c1)OCCO2 13606943 DXKGHALLKWGYEQ-QHHAFSJGSA-N 350.296 3.524 0 1 FHAF COc1cc(O)cc(CC=C(C)C)c1[C@H]1COc2cc(O)ccc2C1=O 14819450 QADONRYPXLKOMO-QGZVFWFLSA-N 354.402 3.974 0 1 FHAF biogenic CCCCCC[C@H](C[C@H](O)CCc1ccc(O)c(OC)c1)OC(C)=O 15257030 SNEXTXLRTJGYIH-QZTJIDSGSA-N 352.471 3.987 0 1 FHAF biogenic O=C(O)COc1cc2onc(-c3ccccc3F)c2cc1Br 27518069 FMRDJCXZAPAANC-UHFFFAOYSA-N 366.142 3.860 0 1 FHAF C=CCOc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@@H](C)C(=O)N(CC)CC)CC2 33911251 BMCULPTWSXDPQL-FYINFDKHSA-N 359.510 3.969 0 1 FHAF biogenic CC[C@@H]1CN(Cc2c(C)nc3sccn23)Cc2cc(OC)ccc2O1 55368978 IOZPBRCYQUKSGF-OAHLLOKOSA-N 357.479 3.886 0 1 FHAF COCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccccc2)cs1 82195297 UKUDSCZHJGWTKE-INIZCTEOSA-N 361.511 3.789 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CC(=O)N[C@H]1COc2nccc(C)c21 146725093 QISDYTQCRBWQHI-AWEZNQCLSA-N 351.233 3.798 0 1 FHAF CCOC(=O)c1c(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3O2)sc2c1CCCC2 169691153 AWJBFLMUDGWLSD-GHMZBOCLSA-N 373.430 3.688 0 1 FHAF Oc1ccc(-c2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cc1 586899317 XXDOCPPGWQRCMC-UHFFFAOYSA-N 354.373 3.578 0 1 FHAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 586950007 LSWUIJAGUVPFLP-UHFFFAOYSA-N 369.368 3.544 0 1 FHAF CC1(C)Cc2nc3ccc(O)c4c3c(c2C[C@H]1C(=O)O)-c1ccccc1C4=O 586991074 QXGKMJBJNQBJIG-AWEZNQCLSA-N 373.408 3.977 0 1 FHAF O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)cncc2[nH]1 587070523 HLZODLOSAMHSJK-UHFFFAOYSA-N 350.603 3.799 0 1 FHAF Cc1csc([C@](O)(Cc2nc3c(C)ccc(C)c3[nH]2)C(F)(F)F)n1 587094713 UAUDJTMTNBOFQK-OAHLLOKOSA-N 355.385 3.937 0 1 FHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccnc(Br)c3[nH]2)cn1 587247450 MIEDQPJKJAGTKE-UHFFFAOYSA-N 374.242 3.767 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3OCCC[C@@H]32)[C@@H]1c1ccc(F)cc1 587355517 DQMDIBYQTWADIY-ROPHOZQPSA-N 354.377 3.828 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c3c(c1)CCO3)O2 587372733 RBPLUOKNJMYRCQ-MRXNPFEDSA-N 374.234 3.981 0 1 FHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1-n1cnc(C)c1 587388816 BGDBELSTFZCESP-IBGZPJMESA-N 363.417 3.786 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(N3CCCCC3)nc1C)O2 587398034 DKTKUCZQTDEQIE-OAQYLSRUSA-N 366.465 3.547 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCn1ccnc1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587429690 CKFCNGHWVZOHFA-CVDCTZTESA-N 374.440 3.933 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1nn(C)cc1Br)CC2=O 587461617 XUMZQCUDOARSNX-CQSZACIVSA-N 365.227 3.547 0 1 FHAF CC[C@@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582993 SLZZBPUAJYVEBB-NQIIRXRSSA-N 364.401 3.701 0 1 FHAF CCC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCOCC1 587613083 XKYNDIKUEUBXMG-XLIONFOSSA-N 354.402 3.929 0 1 FHAF Cc1ccn(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587764838 RLLFZVWKEOURDI-ZBEGNZNMSA-N 352.251 3.543 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nccn23)N1 587772706 GFQYROKFPKRUIZ-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H](C2)N3C)N1 587777019 YMVIVDHRFFSWHZ-XPZRHXQJSA-N 353.279 3.574 0 1 FHAF Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 1857747556 WXCKEBVXHYBOCL-UHFFFAOYSA-N 363.392 3.841 0 1 FHAF COC(=O)C=C1C[C@H](C)[C@@H]2C3(CC(=O)[C@H]4C(C)(C)CCC[C@]42C)OC1O3 2356659457 DZUJBZDHDGENTK-WFKYYCGJSA-N 362.466 3.616 0 1 FHAF Cc1cc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(Cl)c(Cl)c2)no1 253961390 UOHXLVYVKFLPNS-DZGCQCFKSA-N 352.221 3.800 0 3 FHAF Fc1ccc([C@H]2C[C@H]3CC[C@@H](N3)[C@H]2COc2ccc3c(c2)OCO3)cc1 100801364 HAHQKXHPHSTOFJ-OQIJWPOYSA-N 355.409 3.858 0 1 FHAF C/C=C/CN(C1=NCCN1)c1c(Br)cccc1Br 28230294 NVTPBJPMGSODFC-NSCUHMNNSA-N 373.092 3.553 0 1 FHAF CC(C)Oc1cc(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2n1 100643274 XPDZGZWEBKVBJM-GJZGRUSLSA-N 354.450 3.804 0 1 FHAF COc1ccc(CN2C[C@@H]3CC[C@H](OC)[C@H]2CN3Cc2ccccc2)cc1 28825445 POPWLHRAAOBVED-WWNPGLIZSA-N 366.505 3.559 0 1 FHAF Cc1cc(CCCCCCCOc2ccc(C3=N[C@H](CO)CO3)cc2)on1 28761189 UZLKTKMUKCZQRE-GOSISDBHSA-N 372.465 3.693 0 1 FHAF CCCCCC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)CCCCC)[C@@H](C1)N2C 28525982 AZSYRDPIBWFYBO-WNRNVDISSA-N 353.503 3.837 0 1 FHAF Cc1ccc2cc3cc(C(=O)NC[C@@H]4COc5ccccc5O4)oc3nc2c1 20209567 KUQNGPBZRHEBBM-MRXNPFEDSA-N 374.396 3.859 0 1 FHAF COC=C(C(=O)OC)[C@H](C)[C@@H](C=Cc1ccc(Cl)c(OC)c1)OC 2356538442 DPNYGWABRKPFDE-BLLLJJGKSA-N 354.830 3.716 0 1 FHAF COc1cc2c(cc1OC)C1=C(C)c3ccc(OC)c(OC)c3CN1CC2 2356826789 HKIDROLXYXYQOZ-UHFFFAOYSA-N 367.445 3.981 0 1 FHAF CN(C)C(=O)c1cccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 72184727 SQQNYAIDNSSHEM-NRFANRHFSA-N 366.848 3.721 0 1 FHAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2ccco2)C1 82142303 AILVZVFJXGUWCC-HZPDHXFCSA-N 368.481 3.988 0 1 FHAF CCCCNC(=O)[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(C)C 82082455 LEUCORXOLBVSPQ-INIZCTEOSA-N 374.510 3.557 0 1 FHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc3ccccc3o2)n1 142112393 YGCUYQQAFXDMSW-GXTWGEPZSA-N 367.409 3.772 0 1 FHAF Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)c4ccccn4)cn3)ccc12 98084087 MHIAOPWWGJQRSE-UHFFFAOYSA-N 373.368 3.936 0 1 FHAF Cc1ccnc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)C2)c1 95567575 SSNOTGZLCVCNPI-UHFFFAOYSA-N 366.412 3.885 0 1 FHAF CCN(CC)CCCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 299863029 KKGWFGLSDOMJAN-UHFFFAOYSA-N 374.510 3.846 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](C(=O)O)C2)N1 587827095 NMPIYVKLQDHJNS-XIZWVBILSA-N 356.235 3.593 0 1 FHAF O=C(O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587003587 MQOVEHSSAZLFHB-UHFFFAOYSA-N 357.167 3.567 0 1 FHAF CCn1cnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555269 ZPTZSAQXZFZDJD-KSSFIOAISA-N 370.792 3.965 0 1 FHAF O=C1C[C@@H](c2cnn(-c3ccc(F)cc3)n2)Oc2c1ccc1c2CCCC1 587510784 WPSPWGPJORKSTI-FQEVSTJZSA-N 363.392 3.992 0 1 FHAF O=C(c1[nH]c2ccccc2c1Cl)n1ncc2ccc(Cl)cc2c1=O 587651995 SHKHPBHPOQIALH-UHFFFAOYSA-N 358.184 3.873 0 1 FHAF CC(C)c1nn(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583022 SSNSSASKHDXXNZ-UTKZUKDTSA-N 364.401 3.952 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4ncc(Br)cc4[nH]3)oc12 586902730 BYXNXUMCBNPIJB-UHFFFAOYSA-N 372.178 3.955 0 1 FHAF COc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1F 587085181 OTXCYKGYGVXANJ-UHFFFAOYSA-N 361.808 3.538 0 1 FHAF CCn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587578447 AEVXVANRCMZJRK-NQIIRXRSSA-N 364.401 3.794 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@H]2CC3=O)N1 587816868 FEPZQICTRZUQLB-MEAVBRJHSA-N 352.247 3.707 0 1 FHAF CCOC(=O)[C@]1(c2cc(C)cc(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440768 IEIJUFPRIRDNED-VGOFRKELSA-N 366.413 3.518 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(SC)ccc21 587493006 POZWHKNYXPWKGJ-HXUWFJFHSA-N 369.442 3.879 0 1 FHAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(CCO)cc2[nH]1 587166838 BOSQYFIXUILUEO-SFHVURJKSA-N 368.412 3.606 0 1 FHAF CCOC(=O)[C@H]1CCCCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442962 RWVVGXJYFXAARM-ZOCZFRKYSA-N 358.434 3.715 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCC=C(NNc4ccccc4)C1)[C@@H](C2)C3=O 587432023 JLXWIWBZHQLYNQ-PGRDOPGGSA-N 362.429 3.866 0 1 FHAF CS(=O)(=O)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587209915 WXUVXBSWQGFORY-QGZVFWFLSA-N 363.438 3.868 0 1 FHAF COc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Cl 587043375 QCXYFSKVKIIRBU-GFCCVEGCSA-N 353.875 3.845 0 1 FHAF COc1cc(-c2n[nH]c(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC 199109974 DGDRLVYQOBQRSA-UHFFFAOYSA-N 364.405 3.656 0 1 FHAF CCOC(=O)c1sc2cc(Oc3ccnc(C(=O)NC)c3)ccc2c1C 1772572376 XGGWDJFVGDNYFQ-UHFFFAOYSA-N 370.430 3.933 0 1 FHAF O[C@]1(c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc2C2=NCCN21 13491092 JOBHARMVZDXCRY-MRXNPFEDSA-N 353.636 3.916 0 1 FHAF CCNC(=O)c1oc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N 1857638048 GWUHPXSESGDFSO-UHFFFAOYSA-N 355.341 3.907 0 1 FHAF CC(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc3nc[nH]c3c2)cc1 1857644724 QPWSPJYRGRHJBY-UHFFFAOYSA-N 365.437 3.983 0 1 FHAF Cc1cc2nc(N3CCNCC3)n(Cc3ccc(F)c(C)c3)c2cc1C 1857755205 FFLMWSQUXZITOI-UHFFFAOYSA-N 352.457 3.559 0 1 FHAF Nc1nc(Cl)cc(NC[C@]2(CO)CC[C@@H](CCc3ccccc3)C2)n1 1658373 GTKRXPJZARRCLS-BEFAXECRSA-N 360.889 3.536 0 1 FHAF CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3ccc(=O)[nH]c32)CC1 26014428 XIFQKLPIMPLRCU-UHFFFAOYSA-N 368.864 3.571 0 1 FHAF CCCc1c(NCc2ccc(C(=O)O)cc2OC)ccc(C(C)=O)c1O 27977860 RPYWCEOMHYZCEU-UHFFFAOYSA-N 357.406 3.866 0 1 FHAF O=S(=O)(c1ccc(F)cc1)n1cc(C2=CCNCC2)c2cc(F)ccc21 28129006 VZKZWLBHHVMCSG-UHFFFAOYSA-N 374.412 3.533 0 1 FHAF O=C(O)/C(=C/c1ccc(-c2ccc(F)cc2)o1)NC(=O)c1ccccc1 28521522 CFQYQVGJLAXOKC-ATVHPVEESA-N 351.333 3.941 0 1 FHAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(c3ncccn3)C[C@@H]2C1 29127796 LWUYMBKCCILSCM-UNMCSNQZSA-N 360.505 3.655 0 1 FHAF O=C(Cc1cccc(O)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1 34640720 KLJSGAQTZCCEGQ-UHFFFAOYSA-N 350.403 3.573 0 1 FHAF Cc1cc(OC[C@H](O)CNC(C)(C)C)ccc1-c1ncc(C(F)(F)F)[nH]1 39241340 KHFCJIWEOWRNCQ-GFCCVEGCSA-N 371.403 3.532 0 1 FHAF COc1cccc(-c2nc(CNCc3ccc(OC)c(OC)c3)co2)c1 72103784 HBOSTZKRXRKEDV-UHFFFAOYSA-N 354.406 3.657 0 1 FHAF COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 72110241 MLQLUFQBFMFXJO-QKKBWIMNSA-N 367.445 3.514 0 1 FHAF COCCn1c(-c2ccsc2)nc2c(NCc3cccs3)ncnc21 82222794 GLEWIOZYPULQFE-UHFFFAOYSA-N 371.491 3.875 0 1 FHAF C[C@H](CC(=O)O)NCCOCCN1c2ccccc2Sc2ccccc21 96929386 WNFXBXMZWZDKQF-OAHLLOKOSA-N 372.490 3.759 0 1 FHAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2cc(OC)cc(OC)c2)cc1 100106735 TVRJEEQVOVCIEH-HPPJCBFXSA-N 364.489 3.677 0 1 FHAF Cc1nn(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c(C)c1Br 586978766 GQIUHNMDQHSDEI-UHFFFAOYSA-N 374.164 3.601 0 1 FHAF CCOC(=O)C(F)(F)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987253 UVRLLJOCASOPCB-UHFFFAOYSA-N 369.323 3.807 0 1 FHAF Fc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1F 587120061 PFOFURICTCVICS-UHFFFAOYSA-N 356.298 3.984 0 1 FHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnccc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239371 JQQPGYHBFXYJTG-RAJNIJHNSA-N 372.469 3.513 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)[C@@H](C)C1)O2 587396923 XFHIYWSJADOITM-AOMKIAJQSA-N 350.462 3.966 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(S(=O)(=O)CC(C)C)c1)O2 587406763 FDDBMGZXIVPOTC-IBGZPJMESA-N 373.474 3.713 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(-n4nc(C)cc4C)c1)[C@@H](C2)C3=O 587430446 FSEVRZBJKIUEST-PGRDOPGGSA-N 360.413 3.986 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCC(=O)O)cc1)CC2=O 587484450 RVFBOCDJCAXVEH-IBGZPJMESA-N 370.401 3.905 0 1 FHAF Cc1nc(Nc2ccccc2)sc1-c1ccc2c(O)nc(O)nc2n1 587563060 CBWQXMANPCKMQG-UHFFFAOYSA-N 351.391 3.612 0 1 FHAF CC(C)COc1cccc(OCc2nc3c(S)nc(S)nc3[nH]2)c1 587566182 ZKWWIEUOGPNFTD-UHFFFAOYSA-N 362.480 3.544 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccncc12 587586033 ASHOXZZLMUMBTG-RXVVDRJESA-N 358.353 3.971 0 1 FHAF Cc1nc(O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590086 XORKILMKKJBVMD-NQIIRXRSSA-N 363.369 3.678 0 1 FHAF CCO[C@H](C)c1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2N)cc1 587650226 HJDODBHZSXOLDW-GFCCVEGCSA-N 358.463 3.918 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2nccn2C)(C2CC2)N1 587757837 WABSAWCBQTZTRG-DYZYQPBXSA-N 364.262 3.510 0 1 FHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 587788077 ZYHYGEAJVPDDHV-QWHCGFSZSA-N 361.323 3.920 0 1 FHAF Cc1[nH]nc2c1[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792951 IXOYBMKYNYGKGA-XYZCENFISA-N 364.262 3.734 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@](c1cnc3ccccc3c1)(C1CC1)NCC2 962926465 PBHVLDZGGRFRNN-XMMPIXPASA-N 371.484 3.736 0 1 FHAF O=C1/C(=C/c2cccc(OCCc3ccccc3)c2)N=C2SCCCN12 1857636703 XEFOIRYCPYDGGP-CYVLTUHYSA-N 364.470 3.984 0 1 FHAF Cc1cc2nc(CO[C@H]3CN(Cc4ccccc4)C[C@@H]3F)[nH]c2cc1C 2356451948 XZCOQSSUDLICAP-PXNSSMCTSA-N 353.441 3.919 0 1 FHAF CS[C@](O)(CNC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 2002845 PJYCVBMPEOJLKW-HXUWFJFHSA-N 365.458 3.587 0 1 FHAF in-vitro Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)nc1 3814681 ABFBGNCEKVSSJD-UHFFFAOYSA-N 360.385 3.650 0 1 FHAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCO 4213744 MFPAYBFIHNGOKB-DLBZAZTESA-N 370.852 3.602 0 1 FHAF O=C(COc1ccc(-c2ccccc2)cc1)NCCCN1CCCCC1 8278866 IYYRFRHVGUOBGU-UHFFFAOYSA-N 352.478 3.725 0 1 FHAF COc1ccc(CCN2CCC(NCc3cccc(N(C)C)c3)CC2)cc1 24886804 DAYCKTFSPUHBHK-UHFFFAOYSA-N 367.537 3.558 0 1 FHAF biogenic O=C1NCCc2c1[nH]c1ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21 28820118 VGMKPNBVRYPNKH-UHFFFAOYSA-N 363.461 3.609 0 1 FHAF O=C(O)CC[C@H](O)c1ccc(OCc2ccccc2Br)cc1 45497102 GTUIXHUWVLOALM-INIZCTEOSA-N 365.223 3.926 0 1 FHAF O=C(NC[C@H]1CCNC[C@H]1F)c1c(F)cccc1-c1cccc(Cl)c1 49047238 JGFRSSUKDACYEW-CXAGYDPISA-N 364.823 3.824 0 1 FHAF COC(=O)[C@@H]1C[C@]23C4=NC[C@@H](C)[C@]45CC[C@@]2(C)[C@H](CCC2=C3[C@@H]1CC2)[C@H]5O 59086390 XGNHYBVLNTWPIF-SVNJQFOBSA-N 369.505 3.534 0 1 FHAF COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 82081629 STZZPCSKSQCROO-QGZVFWFLSA-N 364.401 3.520 0 1 FHAF O=C(c1ccc(F)cc1)N1CCc2nc(COc3cccc(F)c3)oc2C1 113223055 AMAVJINBCBZRCC-UHFFFAOYSA-N 370.355 3.730 0 1 FHAF C#CCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 143413843 SFYNHGPEMQEONE-GFCCVEGCSA-N 362.273 3.529 0 1 FHAF O=C1CN=C(c2ccco2)C=C2c3cccc(-c4ccncc4)c3CCN12 149002829 RSQMLQSISPEWKA-UHFFFAOYSA-N 355.397 3.570 0 1 FHAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@H]2CCCC[C@@H]12 169350240 TYJSHDWVKFXKBY-UXHICEINSA-N 351.494 3.643 0 1 FHAF C[C@@H](Cn1c(O)cc(=O)n([C@@H]2C[C@@H]3CC[C@@H]2C3)c1=O)c1cccc(Cl)c1 169729784 LDOWZFMZLDFQIR-TZDHZFECSA-N 374.868 3.534 0 1 FHAF CC(C)(C)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 202064333 YFNQDJCUSQDOKQ-UHFFFAOYSA-N 372.472 3.976 0 1 FHAF COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2O 238760334 WLRZIPVGEMNPES-AKYGZRSFSA-N 374.477 3.864 0 1 FHAF CC(C)(NC(=O)c1nn(-c2ccccn2)c2c1C[C@H]1C[C@@H]21)c1ccccc1 299820465 BMCDDPYVIMQDFQ-GDBMZVCRSA-N 358.445 3.592 0 1 FHAF COc1cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cn1 587191262 SLXDOCIQBWFNFE-QGZVFWFLSA-N 368.437 3.923 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3[nH]nc(OC)c3c1)CC2=O 587481830 HWKRUHMHRBCKRB-SFHVURJKSA-N 352.390 3.936 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1[nH]c(C)c(C(=O)O)c1C)CC2=O 587483407 MGJMSVMNXAZHBS-HXUWFJFHSA-N 357.406 3.868 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(C)(C)C)(C(=O)O)N1 587825834 FQJPKHAYHGMOTK-JDNHERCYSA-N 358.251 3.839 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1ccccn1 587873263 XAHGJHWMHKVVFN-UHFFFAOYSA-N 357.410 3.915 0 1 FHAF Cc1c(F)ccc2c1[C@](C)(c1ccc(OCCCC(=O)O)cc1)NCC2 962372083 GWACFAODKIFHOA-NRFANRHFSA-N 357.425 3.787 0 1 FHAF CCOC(=O)[C@@H]1C[C@@]2(C=C1C)c1cccc(Br)c1CCN2C 963289684 QJDHHVXPLIHPPV-KDOFPFPSSA-N 364.283 3.662 0 1 FHAF Oc1ncnc2c1N=c1c(c3c(c4ccccc14)=Nc1ccccc1S3)O2 1857748388 KUDOBHGPHHOIDS-UHFFFAOYSA-N 370.393 3.808 0 1 FHAF CSC=CC(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@@]2(C)[C@@H]1C 2356780973 HFDMONMBQKMBPO-ZQRXOBFBSA-N 350.480 3.863 0 1 FHAF C[C]1C=C(C)C=CN1CC(=O)c1ccc(I)cc1 2356828472 IGZHWRZWCMNYKA-UHFFFAOYSA-N 352.195 3.801 0 1 FHAF CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1c(F)ccc(C)c1F 61895782 POZMVLYHZUBQOR-IBGZPJMESA-N 352.425 3.574 0 3 FHAF CCCCNC(=O)c1nc(-c2cnccn2)oc1-c1ccc(Cl)cc1 95600175 DEZNTUIWGGMVSR-UHFFFAOYSA-N 356.813 3.982 0 3 FHAF Cc1[nH]n(C)c(=O)c1C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 100548662 PVVNSIOEIBQRRU-UHFFFAOYSA-N 366.204 3.523 0 3 FHAF CN(C)C[C@@H]1CCCC[C@@]1(O)c1cccc(OC(=O)c2ccccc2O)c1 3975650 OLXCPJRIWXIFTH-HTAPYJJXSA-N 369.461 3.551 0 1 FHAF Cc1cc2c(cc1C)[C@@]1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21 103177615 LOKBLLJFRVKOEU-QHCPKHFHSA-N 356.425 3.924 0 1 FHAF Cc1ccccc1Nc1nnc(-c2c(NCc3ccncc3)ncn2C)o1 28571074 WXCPEWRWHRGFIR-UHFFFAOYSA-N 361.409 3.529 0 1 FHAF COc1ccc(C(=O)N2[C@H]3C=C[C@@H](C3)C2(C(F)(F)F)C(F)(F)F)cc1 100932897 SWQKKNXXDAZBQX-QWRGUYRKSA-N 365.273 3.959 0 1 FHAF CC[C@H]1[C@H](C)C(=O)C[C@@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]13 101193956 WNPYNRMJONMARB-NTTOZPHOSA-N 353.506 3.922 0 1 FHAF Cc1ccc(C(N)=O)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 101581776 ZUGQHWMWOSJZBO-GASCZTMLSA-N 352.434 3.904 0 1 FHAF COc1ccc(Cl)cc1N1C(=O)[C@H]2CCCN2[C@H]1c1ccccc1F 58046755 OCWSSWUBNZJSRH-CRAIPNDOSA-N 360.816 3.998 0 3 FHAF Cc1ccc(F)cc1NC(=O)c1nc(C)c(C)nc1C(=O)NCCC(C)C 103176969 QNJYZLGWWPWCFL-UHFFFAOYSA-N 372.444 3.569 0 1 FHAF O=C1CCC/C=C\C[C@H]2[C@@H](O)C[C@@H](O)[C@H]2/C=C\[C@@H](CCc2ccccc2)O1 100759280 RIBUBQDYGJHEOM-MMIQKHOZSA-N 370.489 3.575 0 1 FHAF Cc1nc(C)n(C[C@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 101433133 WDNOUFVJCUYSDQ-DLBZAZTESA-N 351.281 3.523 0 1 FHAF COc1cc2c(cc1OC)[C@H](Cc1cc(=O)oc3ccc(C)cc13)NCC2 64564656 BZHDMFUQKIWBBZ-SFHVURJKSA-N 365.429 3.548 0 1 FHAF O=C1Nc2ccccc2CN[C@H]1Cc1ccc(OCc2ccccc2)cc1 28956361 ORHZQYHCCPJBHX-QFIPXVFZSA-N 358.441 3.919 0 1 FHAF COc1cc(C(=O)c2cc(N)ccc2-c2ccco2)cc(OC)c1OC 64573997 ZLMAQSMZTYACFT-UHFFFAOYSA-N 353.374 3.786 0 1 FHAF O=C(O)c1cc2c([nH]c3ccc(O)cc32)c(C(=O)c2c[nH]c3ccccc23)n1 73129293 YNZGTWWKEIYCHU-UHFFFAOYSA-N 371.352 3.832 0 1 FHAF COc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1OC 42878485 NIAPOVDFZNARJZ-UHFFFAOYSA-N 361.405 3.861 0 1 FHAF Cc1c(Sc2ccccc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 45300594 GUHFHLOCDAIDRQ-UHFFFAOYSA-N 353.230 3.873 0 1 FHAF NC(=O)c1ccc(N[C@@H](CN2CCCC2)c2ccccc2)c2cccnc12 144936573 VAMKHDMXMWUETC-FQEVSTJZSA-N 360.461 3.583 0 1 FHAF N[C@@H]1CCC[C@@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)C1 95556836 JOMIQNQAGMOXQZ-VXGBXAGGSA-N 374.851 3.947 0 1 FHAF Nc1ccccc1C(=O)c1cn(-c2cccc(OCc3ccccc3)c2)nn1 96270225 OUDSAHHABPROFB-UHFFFAOYSA-N 370.412 3.660 0 1 FHAF N[C@H]1CCC[C@@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)C1 95556834 JOMIQNQAGMOXQZ-NWDGAFQWSA-N 374.851 3.947 0 1 FHAF COc1ccc(/C=C2\c3cc(OC)c(OC)c(OC)c3CC[C@H]2O)cc1C 299868321 ZVLAWVBRISAHDU-ZKTNYTPDSA-N 370.445 3.877 0 1 FHAF COc1ccc2nn(-c3ccc(OCCCC(C)(C)C(=O)O)cc3)nc2c1 653757184 ULTPRKNPCZFLFH-UHFFFAOYSA-N 369.421 3.699 0 1 FHAF C[C@@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)N(C)C 587192655 YJULEPIZGWZIDI-ZETCQYMHSA-N 350.182 3.837 0 1 FHAF CC(=O)C[C@@]1(c2ccco2)N[C@H](C)Cc2cc(Br)c(F)cc21 587828982 PLJWKLFXICDDIF-BMLIUANNSA-N 366.230 3.938 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(C)c(C)c4)c1)[C@@H](C2)C3=O 587433419 XTJWFHATFANCRQ-AVRDEDQJSA-N 360.413 3.986 0 1 FHAF O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586902914 NBUHIDHRPGIAOL-BXUZGUMPSA-N 373.206 3.593 0 1 FHAF COC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1CNC(=O)OC(C)(C)C 587626714 HLTQEYFJBCNVCV-UHFFFAOYSA-N 366.845 3.870 0 1 FHAF CN(C)c1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569070 FAXWLKSDZNACNJ-FXAWDEMLSA-N 362.385 3.556 0 1 FHAF O=C([C@@H](O)c1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658994 WVSCOOAXHIXXNI-FQEVSTJZSA-N 374.371 3.576 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)C[C@H]1F)O2 587387788 WZAPRNQQCPDVKB-TZIWHRDSSA-N 354.425 3.525 0 1 FHAF C[C@H](O)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615717 XPFBTCJOHFYGCL-RNCGHPTOSA-N 369.398 3.605 0 1 FHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)C(C)(C)C 587205767 UCCUWLYXZQHLQZ-CQSZACIVSA-N 361.442 3.743 0 1 FHAF N=c1[nH]c2nc([C@H](Nc3ccccc3)c3ccccc3F)nc-2c(Cl)[nH]1 587149822 MDOWJFLJCFYUQL-CYBMUJFWSA-N 368.803 3.711 0 1 FHAF Fc1cccc(Cn2nnc(-c3nc4ccnc(Cl)c4[nH]3)c2Cl)c1 587162377 WLIVFYLXNCAUOJ-UHFFFAOYSA-N 363.183 3.711 0 1 FHAF C/C(N)=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587706789 RGSIKMSTNKIMLU-ULFDXMMXSA-N 367.184 3.743 0 1 FHAF CCOC(=O)/C=C(\C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797178 MEVYJURTMMBUBN-MIGAUBLUSA-N 370.262 3.847 0 1 FHAF CSc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587841465 AYSPHGYNYBKYJF-XLKFXECMSA-N 368.275 3.724 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)c(Cl)c2)N1 587693735 FFZOWPFSNWCKCZ-WJWGPLDTSA-N 371.637 3.966 0 1 FHAF CC(C)(C)OC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598568 YDBPVRYHRNQVFB-UWJYYQICSA-N 370.401 3.844 0 1 FHAF Cc1cc(C(F)(F)F)nn1CC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873568 DYIDIYCCPHNSNE-UHFFFAOYSA-N 366.274 3.659 0 1 FHAF CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587457037 ZCECGOGVPLHFAM-JBYIUTFZSA-N 366.413 3.526 0 1 FHAF CCOC(=O)[C@]1(c2ccc(F)cc2)c2cc(OC)ccc2CCN1C(C)C 962092075 MFKIRVOGZQZUDQ-QFIPXVFZSA-N 371.452 3.908 0 1 FHAF CSCC[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962925975 KSMQTRAJMWLQDD-ICSRJNTNSA-N 373.474 3.752 0 1 FHAF Nc1ccc2c(n1)CCC[C@]21c2ccsc2CCN1Cc1cccnc1 963007767 JWRRVCVDEXKEQR-OAQYLSRUSA-N 362.502 3.759 0 1 FHAF COc1cc([C@]2(C)NCCc3cc4cccc(OC)c4nc32)c(F)cc1O 963052974 FNVGFNIGYSUCRO-NRFANRHFSA-N 368.408 3.506 0 1 FHAF CCCCC[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 13585530 VQNWSLIWEXGOQR-OALUTQOASA-N 361.482 3.640 0 1 FHAF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)C(C)C)cccc2-3)cc1 13862599 JKYJMEJOTVNJIB-UHFFFAOYSA-N 361.401 3.891 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@H]1c1ccc(F)cc1F 169723609 ANVDFHUXDDOQOT-DOTOQJQBSA-N 365.376 3.539 0 1 FHAF O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](c2cc3ncccc3[nH]2)C1 1857595759 OUPIDEAYKWCYML-ZDUSSCGKSA-N 374.366 3.997 0 1 FHAF NC(=O)c1c(F)ccc(OCc2cc(-c3ccc(Cl)cc3)on2)c1F 1857655847 KAMHEDANQVNLQG-UHFFFAOYSA-N 364.735 3.951 0 1 FHAF Cc1cccc(N[C@@H](NC(=O)c2ccccn2)C(Cl)(Cl)Cl)c1 836830 VMKAWQVYJQICSQ-AWEZNQCLSA-N 358.656 3.928 0 3 FHAF O=C(NC1CCCCC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2455957 RXEQRFFNURHODU-VXKWHMMOSA-N 374.484 3.972 0 1 FHAF CCCCCC[C@@H](C)C(=O)N[C@@H](COP(=O)(O)O)c1ccccc1 28001410 SVRZVILSFANXJP-ZBFHGGJFSA-N 357.387 3.560 0 1 FHAF Cc1ccc(Nc2ccc(F)c([C@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)cc1 114108514 LRCKYYWVNDOFGU-NRFANRHFSA-N 368.456 3.906 0 1 FHAF CCOC(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 28568969 SRWMNPAYNHYCEU-RIFRSIMTSA-N 356.462 3.997 0 1 FHAF in-vivo CC(C)c1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 28521548 LRBAQXJUBJTBSS-UHFFFAOYSA-N 368.458 3.820 0 1 FHAF C[C@@H]1CCN2C(=O)[C@](c3ccccc3)(C34CC5CC(CC(C5)C3)C4)NC2=N1 1911586043 MOBVMPLDZZTZAT-LHUZXXPUSA-N 363.505 3.678 0 1 FHAF CCOc1ccc(Nc2nsc(=O)n2-c2ccc(OCC)cc2)cc1 40913752 ZZLISQCDIGFOBF-UHFFFAOYSA-N 357.435 3.835 0 1 FHAF COCCn1c(CC(C)(C)C)nc2c(NCc3cccs3)ncnc21 82178031 QKWDGHSFVWHZGL-UHFFFAOYSA-N 359.499 3.735 0 1 FHAF CC1=C[C@@H]2[C@@H]3C(=O)O[C@@H]4[C@@H](O[C@H](c5ccccc5)[C@H]4O)[C@@H]3[C@H]1C[C@@H]2C(C)C 139598497 LTNUIRWCFRFMTE-LGCXBAODSA-N 368.473 3.513 0 1 FHAF COc1cc(OC)c2c(=O)cc(/C=C/c3ccc4c(c3)OCO4)oc2c1 43074236 YSNDXYNWDCFDBM-HWKANZROSA-N 352.342 3.709 0 1 FHAF O[C@@H](COc1ccc2[nH]c3ccccc3c2c1)CN1CCOc2ccccc21 96939736 YEYYCYXLMZEVRF-MRXNPFEDSA-N 374.440 3.960 0 1 FHAF C[C@@H]1CCC[C@@H](C)N1CCC[C@](C(N)=O)(c1ccccc1)c1ccccn1 253632665 CZVQBMXKFAJRAC-PWHSHALESA-N 365.521 3.896 0 1 FHAF CCN(CC)c1c(O)cccc1C[C@@H]1OC(=O)c2cc(OC)c(OC)cc21 2382222573 OYBXTRWBURYUBP-KRWDZBQOSA-N 371.433 3.710 0 1 FHAF COc1ccc(/C=C2\c3cc(OC)c(OC)c(OC)c3CC[C@@H]2O)cc1C 299868320 ZVLAWVBRISAHDU-RLGUWMIQSA-N 370.445 3.877 0 1 FHAF Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(F)cn1 299868581 RVTXORJISVBSNV-UHFFFAOYSA-N 364.327 3.968 0 1 FHAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@H]1C[C@H]2CC[C@H]1C2 587276944 VDKOEYCMYZKISI-QXEWZRGKSA-N 350.212 3.702 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(Cc3ccccc3)CC1)O2 587395446 MEFAXVKBJGLIMP-JOCHJYFZSA-N 350.462 3.967 0 1 FHAF COc1ccc([C@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527529 WEUYLWDQUZAEGO-NRFANRHFSA-N 352.386 3.519 0 1 FHAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(O)c3N)c([C@@H](N)C(=O)O)c2c1 587642893 PRSAVXZVHSTCHU-MLCYQJTMSA-N 353.422 3.721 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn2ccccc12 587589492 XBUCJLHSROKZTP-NQIIRXRSSA-N 358.353 3.743 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)cc1F)[C@@H](C2)C3=O 587420376 FXYPPCLUDKEYQJ-YVEFUNNKSA-N 350.292 3.924 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(F)cc1)CC2=O 587467304 QMZSONHDBXTPHS-OAQYLSRUSA-N 372.392 3.908 0 1 FHAF Cc1c(Br)ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c12 587249343 IMMRFTYUHIRVHB-UHFFFAOYSA-N 360.211 3.505 0 1 FHAF COc1cc2c3c(c1)O[C@](/C=C(\C)N(C)C)(c1cccs1)[C@@H](C2)C3=O 587450870 LKGZQTWPBJYTKQ-JCFHGJPSSA-N 355.459 3.865 0 1 FHAF COc1ccc(C=O)c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1OC 587786222 JXUXHVPYNVIOFQ-UHFFFAOYSA-N 366.295 3.958 0 1 FHAF Cn1ncc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587579598 FAEBPSNCIZQJSW-UGKGYDQZSA-N 372.380 3.982 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)c(O)c2)N1 587747265 KZTXJOHKRUJCPK-XLFHBGCDSA-N 365.246 3.674 0 1 FHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(Br)ccnc2[nH]1 586882477 VDOKCSVLYUBYFX-UHFFFAOYSA-N 372.222 3.649 0 1 FHAF CC(C)c1nn(C)c2c1[C@H](c1ccccc1C(=O)OC(C)(C)C)NCC2 962913010 QIPQEBCMOPLNED-IBGZPJMESA-N 355.482 3.734 0 1 FHAF O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1ncc(Cl)cc1O 1187036806 XWYWKASJYZDVNL-UHFFFAOYSA-N 367.641 3.689 0 1 FHAF CCOC(=O)c1cc2c(n1C)-c1nc(NC3CCCCC3)ncc1CCC2 1772577395 DKZNMHIMSUIVIN-UHFFFAOYSA-N 368.481 3.892 0 1 FHAF CC(C)NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 13122994 ZSYOYALYVPMOQR-JQWIXIFHSA-N 358.389 3.743 0 1 FHAF Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc(Cl)c2)n1C 14944726 UWQKADFGEHVACA-VKAVYKQESA-N 358.916 3.636 0 1 FHAF O=C(Nc1cccc2c1C[C@@H](O)C2)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 169704947 HQLJSFBVHMPCSV-OLMNPRSZSA-N 354.425 3.743 0 1 FHAF COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1 1857537249 RRGONONIXNMNQE-UHFFFAOYSA-N 354.494 3.903 0 1 FHAF COC(=O)c1ccc2c(c1)N(c1ccc(Cl)cc1)CCn1nnc(C)c1-2 1857745728 AYMBFUSITNSKHY-UHFFFAOYSA-N 368.824 3.845 0 1 FHAF COc1ccc(C(=O)c2cn(C[C@@H]3CCOC3)c3ccc(O)cc23)cc1 1857773289 HOGDOVSQOPDZSR-AWEZNQCLSA-N 351.402 3.623 0 1 FHAF COc1cccc([C@@H]2CCN(c3ccc(-c4cn[nH]c4)c(OC)c3)C2=O)c1 584629268 CFUXOCKTZIWRDT-IBGZPJMESA-N 363.417 3.614 0 1 FHAF O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1CNc1cc(Cl)ccc1Cl 658436 YFIXDYNMAZSAIG-WDEREUQCSA-N 359.640 3.881 0 1 FHAF C[C@@H]1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)C1 2460057 DATXYHWLIOTALJ-ZMYBRWDISA-N 368.502 3.917 0 1 FHAF C[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)N1CCOc2ccc(Cl)cc21 6797540 SITVVPGXJIDFFO-UKRRQHHQSA-N 364.873 3.541 0 3 FHAF Cc1cccc(C)c1-n1ncc(C(=O)NC2CCCC2)c1C1CCNCC1 7000478 NKZFBKUWUIWQEM-UHFFFAOYSA-N 366.509 3.629 0 3 FHAF CSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccncc1 101630077 LTQATRDGZPXAKD-LVLBFHFTSA-N 372.450 3.732 0 1 FHAF COC(=O)[C@@H]1C(c2ccc3occc3c2OC)=NO[C@H]1c1ccccc1 101039522 VYBMIDHEARFESN-AEFFLSMTSA-N 351.358 3.706 0 1 FHAF O=C1N[C@@H](CCN2CCN(c3ccc4ccccc4c3)CC2)c2ccccc21 29307595 GNYXSGLNCOUDJV-QHCPKHFHSA-N 371.484 3.837 0 1 FHAF CC1(C)Cc2nc(C(C)(C)C)ncc2[C@H](NC(=O)Cc2ccccn2)C1 20906277 NLBFKISCPOUHFA-MRXNPFEDSA-N 352.482 3.542 0 1 FHAF COC(=O)C/C=C/[C@@H](C)[C@@H](OC)c1c(Br)ccc2c1OCO2 66123291 WGONEYCOJVMLLL-NXJNVRQLSA-N 371.227 3.621 0 1 FHAF C[C@@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2C1=CC(=O)OC1 2356579237 VMPVNEMZRALGCT-BOCYSYSCSA-N 372.505 3.524 0 1 FHAF CCCCCCS(=O)(=O)c1ccc(C(=O)CCN(C)C)c(Cl)c1 42920462 BUOFMFBFLRBMKL-UHFFFAOYSA-N 359.919 3.828 0 1 FHAF CC(C)Oc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1 43119971 ZDHMHTKEGJLXMO-UHFFFAOYSA-N 365.477 3.732 0 1 FHAF CCOc1nc(Cc2ccccc2)oc1C(=O)Oc1cncc(Cl)c1 40957755 FVBABTXXJCZLBN-UHFFFAOYSA-N 358.781 3.932 0 1 FHAF CC(C)CNc1ncnc2c1nc(-c1ccoc1)n2CC[C@@H]1CCCN1C 82177948 BQOSJHTZPKFBMX-INIZCTEOSA-N 368.485 3.639 0 1 FHAF c1ccc(-c2nnc(-c3ccccn3)nc2NCCc2ccccn2)cc1 95571019 VLQJUAAEOYNRNR-UHFFFAOYSA-N 354.417 3.650 0 1 FHAF Cc1cc(=O)oc2cc(OC[C@@H]3CC(c4cccc(F)c4)=NO3)ccc12 2382219136 GIUSLHDEYATOJH-INIZCTEOSA-N 353.349 3.813 0 1 FHAF CCOc1cc2c(c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c1)O[C@H](C)C2 587448006 AUPKEHILMUWCFS-IKJWWVRKSA-N 366.413 3.906 0 1 FHAF CCOc1n[nH]c(-c2nc3cc(Br)c(F)cc3[nH]2)c1Cl 587065744 YDQHUUHACGYFKM-UHFFFAOYSA-N 359.586 3.907 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C3CC3)[nH]n2)N1 587799033 VVJSRPAZNNWBCD-BCTVWOGZSA-N 350.235 3.812 0 1 FHAF O=C1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 587607585 IBWHOVRDSXUKAM-SIKLNZKXSA-N 374.348 3.558 0 1 FHAF CCCCOc1cc2nc(CC(=O)OCC)[nH]c2cc1Br 587777468 MGQCVOAZLNNATG-UHFFFAOYSA-N 355.232 3.610 0 1 FHAF Brc1nccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587036795 NMPPUTFXRVSKDW-JTQLQIEISA-N 350.241 3.638 0 1 FHAF CCOC(=O)CCC[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587394142 QUEMWUGIUYRIKF-NRFANRHFSA-N 368.433 3.566 0 1 FHAF Cc1c(F)ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587193955 JVUWHPZSGLMGMP-CQSZACIVSA-N 350.438 3.528 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)C=C2Cl)N1 587704940 LOEDHORGMLSNTA-BJOHPYRUSA-N 357.654 3.857 0 1 FHAF CC(C)n1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575956 HGVOUPWMYXTBDD-VQIMIIECSA-N 350.374 3.873 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCN(C)C2)N1 587762873 UXTJIIZETUFJCA-BTJLNZGRSA-N 355.295 3.679 0 1 FHAF Oc1ccc(-c2nc3cc(I)cnc3[nH]2)c(Cl)c1 587053810 ISGHBWKAMPQIKN-UHFFFAOYSA-N 371.565 3.589 0 1 FHAF Cc1cc(F)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587507567 NIPAIZUYYKJWLB-OAQYLSRUSA-N 351.377 3.826 0 1 FHAF O=C1CC=C(c2nc3cc(Cl)cc(F)c3[nH]2)NN1Cc1ccc(F)cc1 587162486 CVZWFEOOCSLCTO-UHFFFAOYSA-N 374.778 3.773 0 1 FHAF COC(=O)[C@H](C)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807600 MBAXJVXTQSKDOM-LSYCYVAJSA-N 358.251 3.537 0 1 FHAF CCC[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798483 ONLZWGMAFYDRDT-MGPLVRAMSA-N 358.251 3.681 0 1 FHAF COC(=O)CCC[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 587413836 PTRCRHNHOGUHNR-IBGZPJMESA-N 359.447 3.843 0 1 FHAF C[C@@H]1C[C@@]2(CCN1Cc1ccccc1)c1ccsc1CCN2C(N)=O 962721491 ZPXKMKCUVRDUPV-QRWLVFNGSA-N 355.507 3.565 0 1 FHAF Cc1ccc([C@@](N)(C[C@@]2(C)NCCc3c(C)ccnc32)C(F)(F)F)cc1 963073450 QDJSXKWJDATOJB-MOPGFXCFSA-N 363.427 3.866 0 1 FHAF CCC[S@@](=O)c1sc2nc(-c3cccs3)cc(C(=O)O)c2c1N 1772601309 PFZBBZVFQSMOKW-HSZRJFAPSA-N 366.489 3.823 0 1 FHAF CSc1ccc(Oc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1 13744783 WFXOLKCDEJXUNV-UHFFFAOYSA-N 363.460 3.701 0 1 FHAF COC(=O)C[C@@H]1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1 13860518 PDYOMHGHMCZTPO-FQEVSTJZSA-N 353.462 3.541 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(OC)cc1 169723985 LYJQQIVPQUNOOS-SJLPKXTDSA-N 373.449 3.658 0 1 FHAF c1ccc(COc2cccc(-c3cn([C@@H]4CN5CCC4CC5)nn3)c2)cc1 1857551353 VJEPFPRUUZASOL-JOCHJYFZSA-N 360.461 3.791 0 1 FHAF CC1=CCC/C(=C/Cc2cc(O)ccc2O)C(=O)OC(C)(C)[C@H](O)CC1 1857628356 ZTMOTIPXGPJJIE-YMYWGFIISA-N 360.450 3.770 0 1 FHAF Cc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)o1 866229 LYSQRBZPNLFGHD-UHFFFAOYSA-N 372.461 3.820 0 1 FHAF COc1ccc(CNc2ncncc2-c2ccc(N(C)C)cc2)c(OC)c1 4258429 CRFKBHQGYXHOEV-UHFFFAOYSA-N 364.449 3.839 0 1 FHAF CC(C)C(CC(=O)OC[C@@]1(CO)C/C(=C\c2ccccc2)C(=O)O1)C(C)C 13704186 KULWAWWGKZEAHR-RJSQPESZSA-N 374.477 3.610 0 1 FHAF CC(C)=CCOc1cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc2c1 14759008 LRFYYSOXBOMSAE-UHFFFAOYSA-N 354.358 3.922 0 1 FHAF biogenic CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CCc3ccccc3)C(=O)N21 16042995 YWERZONPCWRCTM-LJQANCHMSA-N 373.456 3.835 0 1 FHAF biogenic CCc1noc(-c2ncn3c2CN=C(c2ccccc2)c2c(F)cccc2-3)n1 26391405 CLANIEFEODXXPW-UHFFFAOYSA-N 373.391 3.975 0 1 FHAF COc1ccc(CCC(=O)N[C@@H](CCN(C)C)c2ccc(C)cc2)cc1 28653980 LMVDOARECZMPPF-NRFANRHFSA-N 354.494 3.745 0 1 FHAF COc1cccc(CNC(=O)c2nc3ccc(-c4cn[nH]c4)cc3s2)c1 49033234 QNPPKDKWSZVWSH-UHFFFAOYSA-N 364.430 3.625 0 1 FHAF O=C(N[C@@H]1CC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66073992 OIGAFTWBRBUMAJ-MNOVXSKESA-N 374.746 3.657 0 1 FHAF CC1=CC[C@H]2[C@](C)(CCC[C@@]2(C)OC=O)[C@@]12CC[C@@](C)(CC(=O)O)O2 85695032 DGPNUZCTDIIYQO-AEEMCCEDSA-N 350.455 3.857 0 1 FHAF biogenic CO[C@H]1[C@@H]2C(=C3CCC(=O)c4c(O)ccc2c43)c2cccc(O)c2[C@H]1OC 85925189 DROORLDPDTXWFN-NNWRFLSQSA-N 364.397 3.798 0 1 FHAF biogenic C[C@H]1CCCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1 95573028 ALHVRPXIXOGVEB-LBPRGKRZSA-N 360.845 3.641 0 1 FHAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4CC3CCOCC3)cc2)c1 100106699 FVGLHLOPBIIONY-BKFWDETESA-N 362.517 3.828 0 1 FHAF C[C@@]1(c2cc(N[C@H]3CCc4cc(Cl)cnc43)ccc2F)COCC(N)=N1 143113974 JQWLQZLXFFDJIN-LPHOPBHVSA-N 374.847 3.576 0 1 FHAF CC(C)COc1ccc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1 143185205 AWWWPDPNSMZXCC-UHFFFAOYSA-N 354.328 3.681 0 1 FHAF c1ccc2c(CCn3cnc(-c4cc(-c5nn[nH]n5)ccn4)c3)cccc2c1 225949604 QXFLDYAUTAKVLB-UHFFFAOYSA-N 367.416 3.521 0 1 FHAF Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)CO)c(C)c2)cc1 299839182 QPGZCVGPJBNTHP-QHCPKHFHSA-N 369.505 3.735 0 1 FHAF FC(F)(F)c1ncc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc-2[nH]1 587120668 SBQJPAQYTOVOFS-UHFFFAOYSA-N 372.232 3.885 0 1 FHAF Cc1cc(-c2nc3ccnc(C)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125874 UWNNAYUYMDUDTF-UHFFFAOYSA-N 370.356 3.503 0 1 FHAF Nc1c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cnc2c(F)cccc12 587176274 JIRPZEUDDIETSU-UHFFFAOYSA-N 362.343 3.824 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2cncc(Cl)c2[nH]1)C[C@H]1CCCO1 587196974 FCEJYUSSSSOESB-LLVKDONJSA-N 366.849 3.527 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)cc1Br)O2 587378020 RHIWBAPWKRZIOJ-QGZVFWFLSA-N 362.223 3.926 0 1 FHAF COc1c(Cl)ncc(Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587378571 CKTJHZSZNGHGIS-LBPRGKRZSA-N 353.205 3.994 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)[C@H](C)C1)O2 587396926 XFHIYWSJADOITM-ZHRRBRCNSA-N 350.462 3.966 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@H]1N(C(=O)OC(C)(C)C)C3)O2 587397986 DDTGDTYQRNMDBN-QKAVXHIFSA-N 372.465 3.701 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC[C@H]4CCCO4)c1)[C@@H](C2)C3=O 587455179 KIGIYCDAJILYQE-NRJQMVOHSA-N 366.413 3.742 0 1 FHAF Cn1c(Br)cnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498641 PAEWPPIIQRSPMR-CQSZACIVSA-N 361.239 3.768 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(Cl)n1 587552114 NNSXFYYIJCHKEE-MAUKXSAKSA-N 354.749 3.539 0 1 FHAF Cc1ncc2c(n1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584835 BENDFCBNCRTBQC-KNQAVFIVSA-N 374.396 3.684 0 1 FHAF CCOC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2cccc(F)c12 587635541 MZHQCQLBCANSTH-UHFFFAOYSA-N 370.380 3.910 0 1 FHAF CC(C)n1ccnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587754305 LJZKYAQYZHAKBV-BONVTDFDSA-N 352.251 3.989 0 1 FHAF COCc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587768542 DGVXQBBZPQBISQ-BMLIUANNSA-N 365.246 3.753 0 1 FHAF COC(=O)[C@@H]1[C@H](C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587803735 BSYMAPOQMJTFMW-NSIISWKXSA-N 370.262 3.537 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)COC3)N1 587836430 URNKJHYMJPBOLZ-NSHDSACASA-N 354.263 3.908 0 1 FHAF COc1ccc(/C=C/Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(OC)c1 587930914 WVLFJOJIAIDYOC-ONEGZZNKSA-N 363.417 3.721 0 1 FHAF C[C@@H]1[C@@H](N2CC(=O)N(C3CC3)[C@H](c3ccc(F)cc3)C2=O)CCC[C@H]1C 621432900 PLBMVQZTGBBZFH-ZQCAWNDQSA-N 358.457 3.525 0 1 FHAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cs1 962704061 UDHKXWASSYAYEJ-KBPBESRZSA-N 359.344 3.903 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@H](c2c[nH]c3ccc(O)cc23)N1)C(F)(F)F 962759455 BJMGHEATJBKACM-DLBZAZTESA-N 360.335 3.609 0 1 FHAF CCC(=O)C[C@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963175468 BRYXDYIHZHONGK-ABAIWWIYSA-N 363.763 3.542 0 1 FHAF Cc1cc2c(cc1O)[C@@H](c1ccccc1OC(C)(C)C)N[C@H](C(=O)O)C2 963493812 XGTYYNHDFQOMDD-QFBILLFUSA-N 355.434 3.566 0 1 FHAF N=C1NC(=O)/C(=C/c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)S1 1857545156 JVAKUCDDWXWGQY-MLPAPPSSSA-N 365.336 3.786 0 1 FHAF CN(c1ccccc1F)c1nc2nonc2nc1N(C)c1ccccc1F 1857565501 UIEPPKMNQPAILR-UHFFFAOYSA-N 368.347 3.827 0 1 FHAF C[C@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3cn[nH]c3)nc21 1857591045 BGXSSKLFXBBSHD-LLVKDONJSA-N 359.368 3.513 0 1 FHAF O=C(NCCn1c2ccccc2c2ccncc21)Nc1ccc(C(=O)O)cc1 1857619068 RUZLQGKERRRDDI-UHFFFAOYSA-N 374.400 3.709 0 1 FHAF COc1cc([C@H](c2ccc(OC)c(OC)c2)[C@H](C)[C@@H](C)CO)ccc1O 2356391385 PURUHRMXNLKKNY-PXIJXODZSA-N 360.450 3.814 0 1 FHAF COc1cc(C[C@H](C)[C@@H](C)Cc2cc3c(cc2O)OCO3)c(O)cc1O 2356581574 AZKDNDQVWNXSHU-RYUDHWBXSA-N 360.406 3.598 0 1 FHAF CN(C)c1cccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)c1 12508615 ZITVWIKNABBEPG-HXUWFJFHSA-N 369.484 3.628 0 3 FHAF COc1ccc(NC(=O)[C@@]2(C)CCN2Cc2ccccc2Cl)cc1OC 61904678 PZCHIOOPDMHELE-HXUWFJFHSA-N 374.868 3.960 0 3 FHAF CS(=O)(=O)c1ccc(-c2nccc3[nH]nc(-c4cccc(F)c4)c23)cc1 82079018 WTTDOJDNMBYGPP-UHFFFAOYSA-N 367.405 3.835 0 3 FHAF CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1c(F)cccc1Cl 777220 IQULUXCFWBDFBJ-SNVBAGLBSA-N 368.836 3.932 0 1 FHAF CCN(CC)CCOc1ccccc1O[C@@H](Cc1ccccc1)[C@@H](C)O 1846824 IRAGMKKYEVTXEC-GCJKJVERSA-N 357.494 3.778 0 1 FHAF CC[C@H](C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1C2 2356403231 CQKLJJCVXBOQJX-ZBFPMXTCSA-N 362.466 3.817 0 1 FHAF C[C@]1(CC(=O)O)[C@H](CC(=O)O)CC[C@@H]2[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@]1(C)O 2356377616 GLMFZHFDUVUNOC-DGSQPECCSA-N 352.471 3.546 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215796 AOBKGJUWHPBGOH-FZDIXFNVSA-N 364.486 3.817 0 1 FHAF COc1ccccc1C(=O)[C@@H]1C(=O)N[C@]2(C)C[C@@H]1c1cc(Cl)ccc1O2 100303186 VEUYTYUFIYBKAF-ZTQAJYAQSA-N 371.820 3.560 0 1 FHAF C[C@H](Cc1ccc(Cl)cc1)N1C(=O)CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1=O 101677978 XRMFYWPUUCWBAI-DNNBLBMLSA-N 374.868 3.641 0 1 FHAF CCOC1(OCC)[C@@H]2c3ccc(OC)cc3[C@H]([n+]3ccccc32)C1(C)C 100714933 NVFLNAMHCOOEHX-UXHICEINSA-N 354.470 3.827 0 1 FHAF COc1cc2c(cc1OCc1ccccc1)N=C[C@@H]1C[C@H](F)CN1C2=O 26579675 IILIWQUYOBHKAQ-GJZGRUSLSA-N 354.381 3.543 0 1 FHAF O=C(c1cc(Oc2ccccc2)ccn1)N1CCCN(C2CCC2)CC1 53243981 HTZOBNAWSZQACH-UHFFFAOYSA-N 351.450 3.574 0 1 FHAF CCCCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Nc1ccc(F)cc1F 28637854 PQGBHTHCIHAEED-INIZCTEOSA-N 373.421 3.529 0 1 FHAF COc1ccccc1-c1cnc([C@@H](O)c2ccc(CN3CCCC3)cc2)[nH]1 61903885 RFLUXWJTORRQSV-NRFANRHFSA-N 363.461 3.763 0 3 FHAF CCCc1c(C(=O)OCC)cn2ncnc(Nc3ccc(C)c(O)c3)c12 28135825 LPNBNAQAHDDXSW-UHFFFAOYSA-N 354.410 3.616 0 1 FHAF C[C@]1(COC(=O)c2ccco2)Cc2ccccc2CN1C(=O)c1ccco1 72184171 UUYGZOQEXGAKDI-OAQYLSRUSA-N 365.385 3.687 0 1 FHAF O=C(CC1CCCCCC1)Nc1cccc2c(=O)n([C@H]3CCNC3)ccc12 43012138 JUSKFLHUVAWKQW-KRWDZBQOSA-N 367.493 3.835 0 1 FHAF CCCCSc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O 40848088 JJDYQYSPOPMSEO-UHFFFAOYSA-N 356.491 3.890 0 1 FHAF c1ccc(CNc2ncnc3c2nc(C2CC2)n3CCc2ccccn2)cc1 82178699 RCJIWZNTSYUEAT-UHFFFAOYSA-N 370.460 3.954 0 1 FHAF CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1 95593256 JHNQIJOFPJQWJX-UHFFFAOYSA-N 365.824 3.656 0 1 FHAF CC[C@@H](NC(=O)CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95575766 BIQLSSARYGLMJF-GOSISDBHSA-N 364.917 3.987 0 1 FHAF C[C@H]1CCCN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)[C@H]1C 96283039 OIKKWZUQICZOOT-RYUDHWBXSA-N 359.451 3.876 0 1 FHAF CC1(C)Nc2c(cc(-c3cccn4cnnc34)c3c2CCC3)C(C)(C)C1=O 473121118 FMUGCWYLRJWCAR-UHFFFAOYSA-N 360.461 3.936 0 1 FHAF COc1cc([C@@H]2OC[C@H](Cc3cc(OC)c(O)c(OC)c3)[C@H]2C)ccc1O 72107692 DHWYNFQVHPLJKU-PYDTXJQDSA-N 374.433 3.690 0 1 FHAF biogenic,in-vitro O=C(CCCCCOc1cccc(Br)c1)Nc1ccncn1 299869234 UHUCCJFVRSVRAZ-UHFFFAOYSA-N 364.243 3.817 0 1 FHAF Cc1n[nH]c(C)c1[C@H]1CCc2ccccc2N1C(=O)c1ccc(O)cc1O 653663446 PUHWWAJTHDKCGR-GOSISDBHSA-N 363.417 3.772 0 1 FHAF CCC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352128 NUZQCYIIXGAJOY-TZIWHRDSSA-N 372.392 3.992 0 1 FHAF COC(=O)C[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H]1C 586993229 VJKGBIXGANBBNN-VXGBXAGGSA-N 373.408 3.991 0 1 FHAF Cc1cc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2cc1C 587127383 RXXIWKSCSBOLFE-UHFFFAOYSA-N 355.341 3.535 0 1 FHAF Cc1ncncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350864 YSMSAAJNVXVYDW-PZJWPPBQSA-N 364.376 3.904 0 1 FHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587787426 VNKBVHXMGANHCG-VXGBXAGGSA-N 372.327 3.828 0 1 FHAF CCN1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C1 587762292 SDWVKUHNWXIRMB-JKDFXYPNSA-N 355.295 3.679 0 1 FHAF C[C@H]1[C@@H](CC(=O)O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587825397 CWCWBQOUTBICIO-WMEBDMIVSA-N 370.262 3.839 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(F)c1)[C@@H](C2)C3=O 587420989 JBIIOWWOZKGIKL-GTNSWQLSSA-N 350.292 3.924 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnc(SCC(C)C)nc1)[C@@H](C2)C3=O 587449132 BFUXVTJQYDLWEY-KBXCAEBGSA-N 356.447 3.722 0 1 FHAF O=C(O)C[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347965 BTQJHSJAFLLBKR-NQZBTDCJSA-N 370.376 3.904 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)ccnc2Cl)N1 587703156 FXEBKGQSJZLCLF-JKYUHCHBSA-N 370.653 3.842 0 1 FHAF CCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793562 NPJZLXIUNJCDRF-QFYYESIMSA-N 358.251 3.681 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](C1(NC(=O)OC(C)(C)C)CC1)CC2=O 587468357 FQADKBPZDWJIQF-INIZCTEOSA-N 361.438 3.736 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccnc1N1CCCCC1)[C@@H](C2)C3=O 587444441 PPMUYGSWUUZIAK-OXJNMPFZSA-N 350.418 3.569 0 1 FHAF CCOC(=O)[C@@H](CCOC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524491 RMBUJHJMWHWUDO-DYESRHJHSA-N 360.450 3.505 0 1 FHAF Cc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)c(C)c1 1309047801 VVFIHKUSVGNXSF-UHFFFAOYSA-N 355.459 3.814 0 1 FHAF O=C(Oc1ccccc1)N1CCN(CCn2ccc3ccc(F)cc32)CC1 1857634475 WEHQWVHLHCBFQO-UHFFFAOYSA-N 367.424 3.597 0 1 FHAF CCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC(C)(C)O2 2487693 VLYCLVXSLYAAOP-SJLPKXTDSA-N 360.498 3.587 0 1 FHAF CCS[C@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]12 8294982 VBNFZTUNESXHPQ-HOTGVXAUSA-N 358.488 3.703 0 1 FHAF biogenic COC(=O)CCCCCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2 13606173 MHIFVMWEGAPIQH-UHFFFAOYSA-N 354.402 3.509 0 1 FHAF CO[C@@H]1c2c(O)cccc2C2=C3CCC(=O)c4c(O)ccc(c43)[C@H]2[C@H]1OC 14724650 DROORLDPDTXWFN-CEMLEFRQSA-N 364.397 3.798 0 1 FHAF biogenic CCOC(=O)[C@H]1[C@@H](c2ccc(-c3cccn3C)cc2)C[C@@H]2CC[C@H]1N2C 27551149 NXORNPDSIJCZRC-ZSXPUABSSA-N 352.478 3.822 0 1 FHAF CCN(CC)CCCCCN1C(=O)C[C@@]2(CCCc3ccccc32)C1=O 27562259 HISOFZLPTTYKDW-JOCHJYFZSA-N 356.510 3.532 0 1 FHAF Cc1ccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 27862731 FGTWZUQEDNXLLZ-UHFFFAOYSA-N 373.456 3.658 0 1 FHAF CCCN(CCc1ccc(O)cc1)CCc1ccc(O)c2nc(O)ccc12 29481542 NPYQZPUDJANQNI-UHFFFAOYSA-N 366.461 3.849 0 1 FHAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(c3cncnc3)C[C@@H]2C1 36289099 GDPOVVOCCNPUOW-NZQKXSOJSA-N 360.505 3.655 0 1 FHAF CC1(C)CC(=O)c2sc(N3CCOC[C@@H]3Cc3ccccc3)nc2C1 40846175 MXZMBQXJWFWHNJ-HNNXBMFYSA-N 356.491 3.746 0 1 FHAF CC(C)Cn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1 49032042 YDDKBUNHUCXGEM-UHFFFAOYSA-N 350.451 3.855 0 1 FHAF COC(=O)Nc1ccc2c(CSc3nc(C)cc(C)n3)cc(=O)oc2c1 96910559 BCODSVHWNGHMGO-UHFFFAOYSA-N 371.418 3.670 0 1 FHAF CCn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@H]1CC[C@H](C2)N1 100632785 FCPDVNONMCOEMG-RDTXWAMCSA-N 366.486 3.843 0 1 FHAF Nc1cccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)c1 101073801 XGPIAZRYGMNLQL-UHFFFAOYSA-N 364.470 3.861 0 1 FHAF CN(C(=O)c1cccnc1)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 101403214 OPHYBCBINOHLIH-HEFCMCLBSA-N 373.447 3.561 0 1 FHAF COc1cc(CNC(=O)Nc2nc(-c3ccncc3)cs2)cc(OC)c1 165445648 RTWCAHWSXPQSTD-UHFFFAOYSA-N 370.434 3.544 0 1 FHAF COc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 169350873 CBORJEPFYKEYKA-VQTJNVASSA-N 356.441 3.665 0 1 FHAF COc1ccc(S(=O)(=O)Cc2nc3cccc(C(C)(C)C)c3[nH]2)cc1 586921123 YMMBOZUSHKAGBH-UHFFFAOYSA-N 358.463 3.843 0 1 FHAF CCOC(=O)[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586991230 IQXLXENYDUTVTF-GFCCVEGCSA-N 373.408 3.820 0 1 FHAF COc1cc(OC)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587075088 CFTURPBZRNGUBY-INIZCTEOSA-N 357.797 3.851 0 1 FHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)ncc2[nH]1 587174532 KGKRMHPJPOFIMM-LLVKDONJSA-N 374.217 3.583 0 1 FHAF CC(=O)N[C@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(C)cc1 587205419 ACSIFBXRLQUTBU-CYBMUJFWSA-N 363.248 3.993 0 1 FHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(F)cc(F)c3[nH]2)cc1 587245284 SYLKRFDVDUTGLL-UHFFFAOYSA-N 368.343 3.981 0 1 FHAF Nc1ccccc1-c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 587249531 NSGRQGPLCNTDHN-UHFFFAOYSA-N 351.460 3.847 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCNC(=O)OCc1ccccc1)O2 587385229 CFQRUHFNWNYTJD-MRXNPFEDSA-N 368.433 3.618 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1-n1cccn1)[C@@H](C2)C3=O 587429870 XKZRDFORCVKENU-YWZLYKJASA-N 350.349 3.509 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)N1C[C@H](C)O[C@H](C)C1)CC2=O 587473991 BLPSVBZIQDKFJO-KSMMKXTCSA-N 361.482 3.566 0 1 FHAF C[C@]1(c2ccc(N)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553397 APUXJNQPTMZCBQ-WIYYLYMNSA-N 365.360 3.991 0 1 FHAF C[C@]1(c2c(N)cccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554523 DPGLPNQGHMITME-GHTZIAJQSA-N 365.360 3.991 0 1 FHAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1N 587579744 OYDXPJHOPCBPHL-DYESRHJHSA-N 363.369 3.686 0 1 FHAF O=C(CC(F)(F)F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657833 AIKPDKFKCDPVGY-UHFFFAOYSA-N 350.271 3.795 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ncn2)N1 587703921 IBLMKDBCBLWHGZ-GLEZIHRCSA-N 370.653 3.829 0 1 FHAF COc1cncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587775500 RDQDRIOLTCUHCE-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@H]2CC3=O)N1 587818971 TXFJLJQJXJVNPT-WXRMMUBKSA-N 352.247 3.707 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc([C@@H](C)O)s2)N1 587852775 IRXGGRCAYTXERO-WGZSSWNPSA-N 371.275 3.722 0 1 FHAF COc1cc(C)ccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587925295 LHIWFWBAZJYQAC-UHFFFAOYSA-N 361.405 3.606 0 1 FHAF COC(=O)c1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c1 587951707 YIECFSXDYDBHQI-RKOMNEFPSA-N 368.433 3.503 0 1 FHAF Oc1nc(NCc2ccccc2)c2nc(C[C@@H]3C[C@H]3c3ccccc3)nc-2[nH]1 587959806 HXUOTWMSGLNNJD-IRXDYDNUSA-N 371.444 3.968 0 1 FHAF O=C(O)C[C@H]1COc2cc(OCc3nnc(-c4ccccc4)s3)ccc21 653737626 LPNYZFQHRPMOEJ-ZDUSSCGKSA-N 368.414 3.735 0 1 FHAF CNC(=O)c1ccc([C@H]2c3ccsc3CCN2Cc2ccco2)cc1 962701709 DOILQCQCRASHFV-IBGZPJMESA-N 352.459 3.848 0 1 FHAF C[C@@]1(c2cc(Cl)ccc2N)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730586 OGJQDUPBEBJVHF-DOTOQJQBSA-N 368.786 3.831 0 1 FHAF CC(C)c1nn(C)c2c1[C@@](C)(C(=O)c1cccc(C(F)(F)F)c1)NCC2 962922310 QZLZWEVSUZDXOL-SFHVURJKSA-N 365.399 3.806 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)OC)c(OC)c2)N1 962940938 DGZUTBFOKGLIHF-VLIAUNLRSA-N 364.445 3.977 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CC[C@H]3[C@H](C(=O)NCC(C)C)[C@H]32)N1 962951594 UERDTYIVGJJPTQ-GLPTWZQXSA-N 365.521 3.716 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(-c2cccs2)nn1C 963636340 QEIHOTVDBTUPTG-FKIZINRSSA-N 369.490 3.789 0 1 FHAF CN(C)CCOC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1 1857772967 WZJXOAMIYWOYNO-UHFFFAOYSA-N 356.451 3.824 0 1 FHAF CC=C1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356366576 LWZNDYKDUGVSBN-LJRCBVARSA-N 359.554 3.767 0 1 FHAF COc1cccc(CN2C(=O)COCc3ccc(Br)cc32)c1 74375798 FYEDRHVWOSYUPP-UHFFFAOYSA-N 362.223 3.521 0 3 FHAF C[C@H](N)C(=O)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 1543428 BLSRGJPGRJBHQK-YJBOKZPZSA-N 374.377 3.633 0 1 FHAF CC(C)[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1 3633117 FUQPSKOYLOJFMA-AWEZNQCLSA-N 358.419 3.873 0 1 FHAF CC[C@@H](C(=O)NC(C)(C)C)n1nc(C)c2sc3ccccc3c2c1=O 6799247 VXGOLGGERBXVCQ-ZDUSSCGKSA-N 357.479 3.785 0 1 FHAF COc1ccc2ccc(=O)oc2c1C(=O)[C@H](OC(=O)C=C(C)C)C(C)C 14611117 DYGOLEKLQJWOGJ-LJQANCHMSA-N 358.390 3.518 0 1 FHAF biogenic Cc1cccc2c1C(=O)N(CCOC(=S)Nc1ccc(Cl)cc1)C2=O 28520695 IMMWGQBFRFNJAB-UHFFFAOYSA-N 374.849 3.658 0 1 FHAF O=C(CCCCCCCCCc1ccccc1)CC(=O)N[C@H]1CCOC1=O 28572276 MZEXWAZDBPUILE-FQEVSTJZSA-N 373.493 3.741 0 1 FHAF Cc1cc(OC[C@@H](O)CCN2CCN(c3ccccc3)CC2)ccc1Cl 29486113 IUXPVVHSMQQCAP-IBGZPJMESA-N 374.912 3.600 0 1 FHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 34212561 JJUQMZALXVFLHF-SSPAMQFQSA-N 372.553 3.768 0 1 FHAF COc1ccccc1CC1CCN(C(=O)c2cc3ccc(O)cc3[nH]2)CC1 35259672 INIPPSWSAGXPOS-UHFFFAOYSA-N 364.445 3.977 0 1 FHAF COC(=O)c1cc(CCc2cc(OC)ccc2Br)ccc1O 40977423 IVBHSQLRPKYXQG-UHFFFAOYSA-N 365.223 3.735 0 1 FHAF CCOC(=O)c1c(C(=O)OCC)c2ccccn2c1C(=O)c1ccccc1 71282210 YBMZBQJBBHDGOQ-UHFFFAOYSA-N 365.385 3.524 0 1 FHAF COc1ccc(CNC[C@H](O)Cn2c3c(c4ccccc42)CCCC3)cc1 73157244 WKDDFROSQNVBSP-SFHVURJKSA-N 364.489 3.679 0 1 FHAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3)n2)C1 82133070 NDEMZDBCZOQDSX-IRXDYDNUSA-N 364.493 3.862 0 1 FHAF CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4)ncc3c2)ccn1 82150875 KLGCARLRFLDLDP-UHFFFAOYSA-N 371.400 3.920 0 1 FHAF COc1ccc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)cc1 84604222 SUSACZGFHZKCNH-HSZRJFAPSA-N 371.440 3.602 0 1 FHAF COc1cc2ccnc3c2c(c1O)-c1c(cc(OC)c(OC)c1OC)CC3 84651953 CISJIEZJNMIFDN-UHFFFAOYSA-N 367.401 3.740 0 1 FHAF CN1C(=O)[C@H](CN2CCCCC2)C[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 96248466 HTMFXDINJCEKDX-KSSFIOAISA-N 372.900 3.735 0 1 FHAF CCCN1C(=O)N2C[C@H](CC)N=C2c2[nH]c(C34C[C@@H]5CC3C[C@H](C5)C4)nc21 100642052 KWTCMZRWMFFRBW-VKDRYCRNSA-N 367.497 3.678 0 1 FHAF O=c1cccnn1-c1ccc2c(c1)CNC[C@H]2c1ccc(Cl)c(Cl)c1 114509359 KILSXJAEWHCKLW-INIZCTEOSA-N 372.255 3.774 0 1 FHAF Cc1ccc(O)cc1-c1nnc2c(C)nc3ccc(C(F)(F)F)nc3n12 145754796 KDIUPJCSYMXVFK-UHFFFAOYSA-N 359.311 3.681 0 1 FHAF O=C1c2ccccc2C[C@@H]1CCN1CCN(c2ccc(Cl)cc2)CC1 169350271 CPFAMVVFLCOFSK-KRWDZBQOSA-N 354.881 3.907 0 1 FHAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC[C@@]5(CCOC5)C4)c23)c1 210710058 RZRWSNMIDNLNTM-OAQYLSRUSA-N 359.433 3.503 0 1 FHAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OCCF)[C@@H](c1ccc(Br)cc1)C2 253665689 LEEXJBMYTWENTA-XUWVNRHRSA-N 370.262 3.528 0 1 FHAF CC(C)c1ccc2c(c1)[C@@H](C1CCCCC1)N(C(=O)CNC[C@@H](C)O)CC2 473096853 BZBYXFYFSMCKBS-UZUQRXQVSA-N 372.553 3.787 0 1 FHAF O=C(O)c1cccnc1SCc1nc2cccc(Br)c2[nH]1 586967189 QDKNOTJZXYEQGG-UHFFFAOYSA-N 364.224 3.711 0 1 FHAF N=C(N)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006989 VZSVADWCKDNNNA-UHFFFAOYSA-N 354.211 3.529 0 1 FHAF Cc1nc2[nH]c(C(C[C@H]3CCCN3)=C(F)F)nc2cc1Br 587088766 RCIYQJPFGCMUEL-MRVPVSSYSA-N 357.202 3.779 0 1 FHAF Cc1c(Br)cnc2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc12 587164346 SXVRPQKXYYGTRI-AWEZNQCLSA-N 363.234 3.819 0 1 FHAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587249344 INEOMBBBJGUOSX-UHFFFAOYSA-N 353.275 3.592 0 1 FHAF N=c1ncc(-c2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)c[nH]1 587254978 TUSBDRZOKGSGCR-UHFFFAOYSA-N 357.204 3.801 0 1 FHAF Cc1ccc(-n2nc(C)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2O)cc1 587390722 NLSCBSJCJVINTE-SFHVURJKSA-N 363.417 3.792 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OC[C@@H]1CCCO1)O2 587413594 SBBYCYAVCWCPTP-XOBRGWDASA-N 353.418 3.842 0 1 FHAF COc1cc2c3c(c1)O[C@H]([C@@H](C)Cc1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587427328 SOLSRHBYTHXTQR-DQLGPHAMSA-N 356.393 3.838 0 1 FHAF Cc1cccc(OCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1C 587564259 PQRMEJZDLGYHIM-UHFFFAOYSA-N 350.466 3.511 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(F)ccc1F 587567070 BXBWQKWMEGJITA-DNVCBOLYSA-N 355.296 3.768 0 1 FHAF CC(C)(C)c1noc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587588584 TYRBIJDFLUCUEK-RHSMWYFYSA-N 366.373 3.776 0 1 FHAF O=C1CC[C@H]2C[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601218 CIKKJCFEOQDVKC-ATBAPAGJSA-N 364.397 3.872 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2F)N1 587738619 PNKGYAJNYRHEJP-JDNHERCYSA-N 353.210 3.920 0 1 FHAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CCC[C@H](O)C2 961746370 DBQIWBRASDVLIW-AOMKIAJQSA-N 372.509 3.968 0 1 FHAF Cc1ccccc1[C@]1(c2c[nH]c(C(N)=O)c2)NCCc2c1sc(C)c2C 963016419 KUVXFMOVVWWMOB-NRFANRHFSA-N 365.502 3.538 0 1 FHAF CCOC(=O)CCCC[C@@]1(C(C)C)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023907 JAKBYLOAKXDZJY-AOMKIAJQSA-N 372.509 3.715 0 1 FHAF CCOC(=O)C[C@H](C)C[C@]1(c2ccccc2)NCCc2ccc(O)cc21 963329088 KXQQCQIEVSDDIY-KSFYIVLOSA-N 353.462 3.761 0 1 FHAF CCN(C(=O)c1ccc2c(OC)n(CC)nc2c1)c1ccc(OC)cc1 8762947 IKCRRPNBKRTPKR-UHFFFAOYSA-N 353.422 3.740 0 3 FHAF OCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccncc2)CC1 13595583 RWEICMQXWXCWCS-UHFFFAOYSA-N 364.411 3.918 0 3 FHAF CS(=O)(=O)c1ccc(Nc2nc([C@@H](N)Cc3ccccc3)cs2)cc1 61895467 JUKUARWRMZDQNL-INIZCTEOSA-N 373.503 3.533 0 3 FHAF CN1CC/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O 13558283 ZGZGEOFCTFUNPU-UVTDQMKNSA-N 351.512 3.993 0 1 FHAF CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CC)(CC[C@@H]12)[C@H]43 14857324 ROASJTKVYDJYTF-XYEHWOGUSA-N 354.494 3.814 0 1 FHAF biogenic C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1CCCCC1)c1ccc2ccccc2c1 27986516 QZBJDJBZGPHHCG-RVHYNSKXSA-N 354.494 3.676 0 1 FHAF CN1CCN2c3ccc(Cl)cc3C(c3ccc(Cl)cc3)=NC[C@H]2C1 28014711 ABTZEFCQMBPXON-INIZCTEOSA-N 360.288 3.965 0 1 FHAF NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1F 40380488 QBUKWINFURUTNN-UHFFFAOYSA-N 367.405 3.904 0 1 FHAF c1ccc2c(CCN3CCC[C@H](c4ccnc(NC5CC5)n4)C3)c[nH]c2c1 40915069 BWRZYJMZRBKIAZ-KRWDZBQOSA-N 361.493 3.954 0 1 FHAF in-vitro CCN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1 82141578 ANSZVDXLDHVASI-UHFFFAOYSA-N 356.445 3.611 0 1 FHAF O=C1/C(=C\c2ccccc2O)N=C(c2ccccc2)N1Cc1ccncc1 84634812 WDTUJQRFTGIYTE-XMHGGMMESA-N 355.397 3.617 0 1 FHAF O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1cccc(O)c1)c1ccccc1 101644930 NNGQTBXHBXQGOX-KXTWHKPSSA-N 351.446 3.787 0 1 FHAF COC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1[C@]21N=C(N)N(C)O1 142105679 GAEOZAGIDRVKPM-FQUBMZHMSA-N 369.509 3.505 0 1 FHAF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2c2ccncc2)n1)c1ccccc1 142128456 KRPIYQNABUKSLC-YOEHRIQHSA-N 361.405 3.743 0 1 FHAF COC(=O)c1ccnc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c12 587032630 LMJBBXLQTCTJQC-UHFFFAOYSA-N 364.430 3.752 0 1 FHAF Cc1ccc(Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1C(F)(F)F 587095761 UNSMOVLSXPQDDM-UHFFFAOYSA-N 368.380 3.884 0 1 FHAF OCCc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587126924 ITHOOAJEYURFBT-UHFFFAOYSA-N 362.311 3.540 0 1 FHAF O=C1C[C@@H]2C[C@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350078 HGMVMHYNRFKRND-UMYPPIJSSA-N 352.361 3.628 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4ccnc4C)cc1)[C@@H](C2)C3=O 587431967 SIJULYOQHQBQCK-AVRDEDQJSA-N 360.413 3.852 0 1 FHAF CCOc1cc2c(c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c1)O[C@H](C)C2 587448011 AUPKEHILMUWCFS-XRFBYRFRSA-N 366.413 3.906 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([S@@](C)=O)cc1)CC2=O 587493512 ROZTVOHDYLDDIR-NBGIEHNGSA-N 358.459 3.963 0 1 FHAF COc1ccccc1C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599689 HKOSFNTWQKJHLX-PMACEKPBSA-N 362.381 3.974 0 1 FHAF COc1cncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587776975 ZOQGBEBCCDFTBE-JDNHERCYSA-N 351.219 3.615 0 1 FHAF CCOc1ccc(OCC)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1 587779054 XEKJGVLDADLBLE-UHFFFAOYSA-N 369.465 3.968 0 1 FHAF COc1ccc(OC(C)(C)C)n1-c1cc(C(=O)O)ncc1Br 587938787 AGTVODDMQPAIPO-UHFFFAOYSA-N 369.215 3.519 0 1 FHAF Cc1ncc(-n2c(O)cc(C3CCCCC3)c2O)nc1Br 587939143 BVLSDVGDVAYRJK-UHFFFAOYSA-N 352.232 3.797 0 1 FHAF c1ccc(-c2ccccc2Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587959224 MZQNZWPLYMZHLK-UHFFFAOYSA-N 352.401 3.796 0 1 FHAF COC(=O)c1cc([C@@]2(C)c3ccsc3CCN2Cc2ccco2)c[nH]1 962699750 ANPFZCQPCCBSFT-IBGZPJMESA-N 356.447 3.778 0 1 FHAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)N[C@@H](C)c2ccccc2)cc1 2356289998 FYVPNPRZIYKDEL-UONOGXRCSA-N 366.417 3.895 0 1 FHAF CC1(C)OC(=O)C=CC2=CC3=C(CC[C@@H]21)[C@]1(C)[C@@H](O)CC(=O)[C@]1(C)CC3 2356326130 VAVPMWAWMDNSAO-ZQJQTPFGSA-N 356.462 3.651 0 1 FHAF O=C(Nc1ccc(Cl)cn1)N[C@H]1C[C@H]1c1c(F)ccc(O)c1Cl 6536596 NTNATEYJPONKDY-SCZZXKLOSA-N 356.184 3.911 0 1 FHAF COc1ccc(-c2nn(-c3ccccc3)c(=O)c3c2CCCC3)cc1OC 13863441 UNINBHSLMQMMCW-UHFFFAOYSA-N 362.429 3.796 0 1 FHAF COc1cc([C@@H]2CN=C(c3cccc4c3ccn4C)O2)cc(OC)c1OC 27523291 XBLBTPNODBDQNO-IBGZPJMESA-N 366.417 3.722 0 1 FHAF Nc1nc(N)c2c(n1)N[C@H](c1ccc(F)cc1)[C@H]1CCc3ccccc3C1=N2 53242676 DNVQIUSHIPXGAR-HZPDHXFCSA-N 374.423 3.630 0 1 FHAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(C)c1 62224594 JVCDYWSTZSHMIN-GOSISDBHSA-N 357.450 3.745 0 1 FHAF CN(C)[C@H]1CCC[C@@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1 63539675 VVEGARMQKNYDID-OLZOCXBDSA-N 370.888 3.958 0 1 FHAF CCn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@@H]1CC[C@H](C2)N1 82153132 FCPDVNONMCOEMG-KDOFPFPSSA-N 366.486 3.843 0 1 FHAF O=C(N1CC[C@H](c2c[nH]c3ncc(F)cc23)C1)C1(c2ccc(F)cc2)CC1 84687133 LWGBWAUPNPMWJQ-ZDUSSCGKSA-N 367.399 3.889 0 1 FHAF O=c1cc(Cn2cnc3ccccc32)nc2scc(-c3ccccc3)n12 96927742 IBUCPLUCFPXMJM-UHFFFAOYSA-N 358.426 3.821 0 1 FHAF CN(C)C(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100912701 KZGZRFUHUPKRGX-HUOBWIOCSA-N 365.304 3.948 0 1 FHAF COc1ccc([C@H](C)Nc2ncc(F)c(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 142165343 CIWHFKJZMUSPFL-BLLLJJGKSA-N 374.416 3.779 0 1 FHAF COc1ccc2c(c1CC=C(C)C)O[C@@]1(C)c3ccc(O)cc3OC[C@@]21O 238736919 AFVOSKFTETWUMH-FCHUYYIVSA-N 368.429 3.797 0 1 FHAF C[C@H]1[C@H](C)[C@@H](Cc2ccc3c(c2)OCO3)O[C@@H]1Cc1ccc2c(c1)OCO2 238738893 LAESRKLDVMTTQV-AFHBHXEDSA-N 368.429 3.969 0 1 FHAF COc1cc(/C=C/C(=O)n2c(C)nc3ccccc32)cc(OC)c1OC 299865780 UNCKSCKUMNOIOD-MDZDMXLPSA-N 352.390 3.724 0 1 FHAF Cc1cncc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018929 RHWKMQYUUWSPSS-UHFFFAOYSA-N 364.430 3.752 0 1 FHAF COc1cc(OC)c2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc2c1 587165253 NKLJBLSOKNYXKU-UHFFFAOYSA-N 352.369 3.631 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2ccnc(Cl)c2[nH]1)C[C@@H]1CCCO1 587197850 VOUXOVFPPJILAI-NSHDSACASA-N 366.849 3.527 0 1 FHAF CC(C)(C)OC(=O)N[C@H](c1nc2c(Cl)ncnc2[nH]1)C1CCCC1 587223638 CWZGWKKLVLHOOC-JTQLQIEISA-N 351.838 3.762 0 1 FHAF NC1CC(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C1 587255761 WBDSUIJXELJYIG-UHFFFAOYSA-N 364.165 3.504 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OCc3ccccc3)no1)O2 587394976 MSSDAXGCCCDVHI-KRWDZBQOSA-N 350.374 3.851 0 1 FHAF COc1cc2c3c(c1)O[C@](C)([C@@H]1CCN(Cc4ccccc4)C1)[C@@H](C2)C3=O 587435351 FQCFKNJJXPVWAX-HFJQGTKSSA-N 363.457 3.723 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)([C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587437820 LMFNRBRIXGTZRM-WDUKFBBWSA-N 373.449 3.601 0 1 FHAF O=C1C[C@H](c2cnc(Br)nc2)Oc2c1ccc1c2CCCC1 587495936 HAUMJWDYAUMKTD-OAHLLOKOSA-N 359.223 3.824 0 1 FHAF CCOC(=O)C[C@]1(c2ccoc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531401 FOLWOLZRAIPBEL-NRFANRHFSA-N 354.402 3.972 0 1 FHAF CC(C)(C)c1noc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587588583 TYRBIJDFLUCUEK-PBHICJAKSA-N 366.373 3.776 0 1 FHAF Cc1nn(C)c(C)c1-c1[nH]c2c(C)cc(Cl)cc2c1N1CCOCC1 587627279 RKROQUUEEGDUPQ-UHFFFAOYSA-N 358.873 3.984 0 1 FHAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1cn(C)c2ccccc12 587635546 KDWPGJWHVHQWMJ-UHFFFAOYSA-N 350.349 3.816 0 1 FHAF C/C(N)=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587705408 MIKOOKFELDBLRJ-ULFDXMMXSA-N 367.184 3.743 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCn2cccn2)N1 587755627 BCNUIZPVTIZIPJ-BZNIZROVSA-N 352.251 3.624 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(N(C)C)CC2)N1 587759035 ZXKNMFMRIYOWDZ-BLQFLSLASA-N 355.295 3.822 0 1 FHAF CC1=C(c2ccc3nc(COC/C=C\c4ccccc4)[nH]c3c2)NNC(=O)C1 587780494 ASRGTRDKCQQNJA-YVMONPNESA-N 374.444 3.548 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)OCO3)N1 587835881 REOZUWCVHOXMEI-HUTHGQBESA-N 364.214 3.941 0 1 FHAF CSc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587843591 IZYAUBPPDRTLNU-XLKFXECMSA-N 368.275 3.724 0 1 FHAF COCc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587852109 DDBLKFDCGHXWPA-RTHLEPHNSA-N 371.275 3.815 0 1 FHAF CC[C@@]1(Cc2nc3c(C(=O)OC)ccnc3[nH]2)CC(=O)c2ccccc2C1 587959874 INFHYAICAUYRSO-NRFANRHFSA-N 363.417 3.513 0 1 FHAF COc1ccc2c(c1)[C@]1(CCN(Cc3ccccc3)C1=O)N(C(C)C)CC2 962088229 FLSRURMFMLQMBI-QHCPKHFHSA-N 364.489 3.590 0 1 FHAF COc1cc2c(cc1OC)[C@@](C)(Cc1ccccc1C(=O)O)N(C)[C@H](C)C2 962631758 ODKQPALHZSOPPZ-JLCFBVMHSA-N 369.461 3.736 0 1 FHAF NC(=O)c1cccc(C2C[C@H]3CC[C@H](C2)N3CCCOc2ccccc2)c1 1772609314 DPRBBEOCXKSIHY-NHCUHLMSSA-N 364.489 3.965 0 1 FHAF CCN1CCC(c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)CC1 1857595411 CTGOENHVWDCQPG-UHFFFAOYSA-N 370.518 3.637 0 1 FHAF C[C@H](NCc1cccc(Cl)c1)c1onc(-c2cccnc2)c1C(=O)O 2356299458 HMJVOJBMVQXNEH-NSHDSACASA-N 357.797 3.939 0 1 FHAF CC1(C)CCCc2cc(Cl)cc(C(=O)N[C@@H]3CN4CCC3CC4)c2O1 3800298 JADVZCOADCMTQF-QGZVFWFLSA-N 362.901 3.658 0 1 FHAF Cc1ccc(CNC(=O)[C@@]2(CC(C)C)C=CCN2C(=O)c2ccccc2)o1 7992733 ILMHCVHOTNVPAI-QFIPXVFZSA-N 366.461 3.701 0 1 FHAF CCCCCC(=O)CCC=CC=CC=C[C@H](O)[C@@H](O)CCCC(=O)O 2356284509 FPRPRBFSKMFXRV-OALUTQOASA-N 352.471 3.561 0 1 FHAF CN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2F)[C@@H](c2ccccc2)C1 22939364 LMKVMFJSMPWXMG-HXUWFJFHSA-N 368.431 3.844 0 3 FHAF COc1cc2c(cc1OC)[C@H](O)[C@@H](C)[C@@H](C)[C@H]2c1ccc2c(c1)OCO2 14641100 JFWINFODWGRQNJ-LJNVALIGSA-N 356.418 3.884 0 1 FHAF biogenic Nc1cccc(C(=O)n2nc(C(=O)Nc3ccccc3)c3ccccc32)c1 72176551 UGDNEKLTLAVRFN-UHFFFAOYSA-N 356.385 3.559 0 1 FHAF COc1cccc(CNC(=O)c2cc3ccc(-c4ccnc(N)c4)cc3[nH]2)c1 73165461 ZVZXPIZWXYASPP-UHFFFAOYSA-N 372.428 3.751 0 1 FHAF Cc1cc(N2CCOCC2)cn2c(CSCCc3ccccc3)cnc12 40836176 UOVUTVXPIVYBTP-UHFFFAOYSA-N 367.518 3.955 0 1 FHAF COc1ccc(Cn2nc(C)cc2C[C@H](O)c2c(F)cccc2F)cc1 45287236 AHNKYDNTBBPKOI-IBGZPJMESA-N 358.388 3.803 0 1 FHAF O=c1[nH]c2ncc(-c3ccc(-c4cn[nH]c4)cc3)nc2n1CC1CCCCC1 82156618 PYCNDDRHPKYGKP-UHFFFAOYSA-N 374.448 3.757 0 1 FHAF Cc1ccc([C@H](C)Nc2cc(N3CCC[C@@H](C(C)(C)O)C3)ncn2)cc1 82150350 YKGDNQUBYPKJBK-FUHWJXTLSA-N 354.498 3.945 0 1 FHAF CC[C@@H](C)NC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 82140609 XVXAPGVDCCCSLK-CQSZACIVSA-N 358.461 3.903 0 1 FHAF Cc1cncc2c1[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1Cl)CO2 146562689 OLWVQYCBMDKTFO-LBPRGKRZSA-N 370.758 3.855 0 1 FHAF CCOC(=O)[C@H]1[C@H](C(=O)O)C2(C)c3ccccc3C1(C)c1ccccc12 68572269 GZXZKFKOUWYUNH-NFAVZRQZSA-N 350.414 3.506 0 1 FHAF biogenic O=C(Nc1ccc(F)cc1Cl)c1[nH]nc(Cl)c1Br 473107776 KQQCEIIKSNXSLI-UHFFFAOYSA-N 352.978 3.870 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cccnc1Br)[C@@H](C2)C3=O 587416570 BCYIOQCURIZXPK-YVEFUNNKSA-N 360.207 3.516 0 1 FHAF COC(=O)c1ccc2c([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c2c1 587396603 MRGRERVDGJALAZ-NRFANRHFSA-N 364.401 3.726 0 1 FHAF CCCn1ccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757891 WCOVPNOUNBTGJE-BMIGLBTASA-N 352.251 3.818 0 1 FHAF Cn1cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2n1 587583755 XNPMVVDTXWFUMH-KNQAVFIVSA-N 372.380 3.982 0 1 FHAF COc1cccc(-c2ccnc(-n3ncc4ccc(Cl)cc4c3=O)n2)c1 587652296 BPCJQDLNURZJHI-UHFFFAOYSA-N 364.792 3.505 0 1 FHAF Nc1ccc2oc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2c1 587251854 NQXAKIHMIMHSGU-UHFFFAOYSA-N 353.691 3.972 0 1 FHAF CCOC(=O)[C@@H](F)[C@]1(CC)NC2(CC2)Cc2ccc(Br)cc21 961316697 CPSGBHURWLLRPA-RHSMWYFYSA-N 370.262 3.634 0 1 FHAF O=C1[C@@H](N2CCC(c3ccc(O)c(F)c3)CC2)CCN1Cc1ccccc1 1772605967 FGYWBVVJUUWCLN-FQEVSTJZSA-N 368.452 3.512 0 1 FHAF Cc1nc(-c2ccc(Cl)s2)c(-c2ccc(S(N)(=O)=O)cc2)o1 13436267 RGANEMJXHWAHQI-UHFFFAOYSA-N 354.840 3.679 0 1 FHAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCO1 13449185 MCSBDSOJYAQJFT-AWEZNQCLSA-N 357.281 3.554 0 1 FHAF O=C(O)[C@@H]1CCCN(CCOCCN(c2ccccc2)c2ccccc2)C1 13801361 SDJIRAOLDYSMNA-LJQANCHMSA-N 368.477 3.638 0 1 FHAF C[C@H](c1ccc(F)c(Br)c1)c1n[nH]c(=O)c2c1CCCC2 167519648 RIFDMRFHBVMDOW-SECBINFHSA-N 351.219 3.702 0 1 FHAF NC(=O)c1cnc(S[C@@H]2CCCNC2)c2cc(-c3ccccc3)sc12 203902886 YELZIMYSGBRSRC-CYBMUJFWSA-N 369.515 3.906 0 1 FHAF NC(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccccc2)c1 205209372 NTGKQMFAUQDHSL-UHFFFAOYSA-N 372.424 3.516 0 3 FHAF C[n+]1ccc2c3ccccc3n(-n3c4ccccc4c4cc[n+](C)cc43)c2c1 1857537742 JUWHMEALFQFNMY-UHFFFAOYSA-N 364.452 3.863 0 1 FHAF NCCCCNCCCN(Cc1ccc(F)cc1)Cc1ccc(F)cc1 1857652103 GOPAQQAMTIGCPW-UHFFFAOYSA-N 361.480 3.686 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1ccccc1)N([C@@H]1CCC[C@H]1O)CC2 261311105 XVVWFQRUJUJHLI-KNKQGSTJSA-N 353.462 3.565 0 1 FHAF COc1ccc(-n2nc3c4cc(Br)ccc4[nH]cc-3c2=O)cc1 1489755 KEWDRFVYPRTDSN-UHFFFAOYSA-N 370.206 3.590 0 1 FHAF COc1ccc(CNc2ncnc3nc(-c4cccc(F)c4)n(C)c23)cc1 58608573 XGMONMIUONORKO-UHFFFAOYSA-N 363.396 3.790 0 1 FHAF CCCCC[C@]1(C)/C=C\[C@@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 100758514 HWOPMIJWXGQTJL-LYFZJRFCSA-N 350.499 3.913 0 1 FHAF CC(=O)c1cc(Cl)c(C)cc1OCC(=O)Nc1ccccc1C(=O)O 28644124 KZOIPDRGTAZXKV-UHFFFAOYSA-N 361.781 3.567 0 1 FHAF O=C(O)COc1ccc(-c2nocc3c(C(=O)c4ccco4)ccc2-3)cc1 28569160 YBGMTXDNDRBDOZ-UHFFFAOYSA-N 363.325 3.734 0 1 FHAF CC(C)c1ccc(C(C)C)c(C(=O)C[C@@H](SCC(=O)O)C(=O)O)c1 28472410 LIYXNOYPTOVXMO-MRXNPFEDSA-N 352.452 3.777 0 1 FHAF N=C(N)NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 28000878 WLKQZPJVHPJLJL-UHFFFAOYSA-N 361.445 3.828 0 1 FHAF COC(=O)c1ccc2[nH]c(C[C@H](CC(=O)O)c3ccc(Cl)cc3)nc2c1 72118931 ZSHHHUICTNESLO-CYBMUJFWSA-N 372.808 3.804 0 1 FHAF c1nc(NCC2CC2)c2nc(-c3ccsc3)n(C[C@H]3CCCO3)c2n1 82180765 ICAORVNEFAAQQQ-CQSZACIVSA-N 355.467 3.556 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@@H](Cc1ccc(CN3CCCC3)cc1)C2 40901040 XMCHSNBMJUOVNZ-IBGZPJMESA-N 365.473 3.897 0 1 FHAF COc1ccc([C@@H]2C=Cc3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 96908501 KDIOCIVEYUHICX-HNNXBMFYSA-N 358.390 3.877 0 1 FHAF O=C(Nc1cccc(C(F)F)n1)c1cc(F)cc(Oc2cncnc2)c1 96938951 IHADODBCYIFZQM-UHFFFAOYSA-N 360.295 3.993 0 1 FHAF Nc1nccn2c(-c3cccc(NC(=O)c4cc(F)cc(F)c4)c3)cnc12 653698586 BRLIJHQUGRRESL-UHFFFAOYSA-N 365.343 3.509 0 1 FHAF CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)c1cccs1 653822853 WHNSPBKCWAIAAI-BBWFWOEESA-N 360.431 3.541 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)ccc1C=O)CC2=O 587477721 GCTSHGOUDOPPEU-LJQANCHMSA-N 368.385 3.650 0 1 FHAF Brc1ccnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc12 587017794 ZOGSWIGDWZVROV-SECBINFHSA-N 351.229 3.695 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(O)ccc1C2 587613306 YEJSFPQYJGBCSS-REWPJTCUSA-N 374.392 3.987 0 1 FHAF Cc1cnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]1 587345045 IHKCMPJKHDUVIY-PXNSSMCTSA-N 352.365 3.837 0 1 FHAF COc1ccc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587943508 FYBZTRXOEIPRKK-UHFFFAOYSA-N 359.328 3.827 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(N4CCCC4)ccc1N)[C@@H](C2)C3=O 587442383 JBTLUJHMVLCZAA-JTSKRJEESA-N 364.445 3.540 0 1 FHAF Fc1cnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 586997370 BPAZTWDCNRMSFY-UPHRSURJSA-N 362.158 3.759 0 1 FHAF CC[C@]1(c2c[nH]ccc2=N)N[C@@H](C)Cc2cc(Br)c(F)cc21 587746362 MUBQGCLNKISTER-BTDLBPIBSA-N 364.262 3.584 0 1 FHAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232155 LTJOYINZNQREMJ-UHFFFAOYSA-N 365.364 3.950 0 1 FHAF O=Cc1cc(C=O)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604809 YVFNYIWWJRHAJA-DENIHFKCSA-N 374.348 3.720 0 1 FHAF CC1(C)[C@H](C(=O)O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355453 UYWFIRUIRINTMI-LUQKVYGDSA-N 370.376 3.760 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)nc2F)N1 587737266 DRUMNIPHVQXKQH-UOWDBTKRSA-N 357.173 3.885 0 1 FHAF COCC[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599661 YMNJACGVHLADQI-XQAUZQBESA-N 354.402 3.929 0 1 FHAF O=C(O)c1csc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587611102 FJVKEJFKQWQHLG-CRAIPNDOSA-N 368.366 3.855 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587445314 UTYZGHAWRZOCTQ-BTYIYWSLSA-N 373.449 3.602 0 1 FHAF COC(=O)CC[C@@]1(C)CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587445456 ZHDTZAPFICBIDS-IPHXSNPTSA-N 358.434 3.715 0 1 FHAF COc1ccc(CCCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1OC 587925356 NCZGAAQXZFCTRH-UHFFFAOYSA-N 366.343 3.516 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4ccnc4C)cc1)[C@@H](C2)C3=O 587431968 SIJULYOQHQBQCK-PGRDOPGGSA-N 360.413 3.852 0 1 FHAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 587108907 IQMUQOMCVKBZOP-UHFFFAOYSA-N 368.242 3.784 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN3CCC[C@H]32)N1 587789498 DOKBNRSFMRXVDQ-WHCBVINPSA-N 353.279 3.576 0 1 FHAF Fc1cc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2cc1C(F)(F)F 587129292 WGPSYUNZZCZPJR-UHFFFAOYSA-N 372.232 3.763 0 1 FHAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587162872 FQHNZAIDSJTVLD-JTQLQIEISA-N 373.741 3.767 0 1 FHAF Cc1ccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c(-c2cnn(C)c2)c1 963024358 MZITVOUTUABHPT-CMJOXMDJSA-N 372.472 3.538 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 169291199 FHWOSRUUSHMKKA-STDSJSIGSA-N 356.466 3.595 0 1 FHAF COC[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1 165926124 OTQBWQLVWMNWBE-OAHLLOKOSA-N 354.435 3.714 0 1 FHAF COc1cc(C(=O)c2cccc(-c3ccc(O)cc3)n2)cc(OC)c1OC 1857582680 RDSPTNNIYXJQQZ-UHFFFAOYSA-N 365.385 3.711 0 1 FHAF CC[C@H]1CCCCN1CCCNc1nnc2c3ccccc3n(C)c2n1 6781621 IVBDPGDTOMAQFB-HNNXBMFYSA-N 352.486 3.583 0 1 FHAF CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(-c2ccccc2)n1 13445139 OXCAZDXESXMABA-UHFFFAOYSA-N 374.404 3.988 0 1 FHAF CCCOc1cc2cc3[n+](cc2cc1OC)CCc1cc2c(cc1-3)OCO2 40876365 WTHGUPWUXAAMAX-UHFFFAOYSA-N 364.421 3.877 0 1 FHAF O=C(c1ccc(Oc2ccccc2F)cn1)N1CCCN(C2CCC2)CC1 53295467 FNRRHNPFKUIWCR-UHFFFAOYSA-N 369.440 3.713 0 1 FHAF Cc1ccc(OC(=O)NCCCCNC(=O)Oc2ccc(C)cc2)cc1 68586694 OAKNFWAXMSTFMB-UHFFFAOYSA-N 356.422 3.961 0 1 FHAF biogenic C[C@H](Nc1cc(N2CCC[C@@H](C(C)(C)O)C2)ncn1)c1ccc(F)cc1 73197878 GTDTUUSVQKFLHE-GOEBONIOSA-N 358.461 3.776 0 1 FHAF CCCNc1ncc2c(-c3ccccc3)nn(CC3CCC(N)CC3)c2n1 84669644 MQWWFFUKPGKZQF-UHFFFAOYSA-N 364.497 3.833 0 1 FHAF Fc1ccc(Cn2cc(CSc3nnc(C4CCCC4)o3)nn2)cc1 95872107 UHBVHTKFNCFECB-UHFFFAOYSA-N 359.430 3.798 0 1 FHAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3cccn3C)cc2)C[C@H]2CC[C@H]1N2C 100875756 NXORNPDSIJCZRC-UKAVVXHISA-N 352.478 3.822 0 1 FHAF COc1ccc(C(=O)/N=c2/scc(-c3ccccc3)n2C)cc1OC 103076159 PGABSAATLDVYEX-FMQUCBEESA-N 354.431 3.512 0 1 FHAF C[C@H]1CCCN1C1CCN(C(=O)c2cccc(Br)c2)CC1 152781718 MNLJIFWBXIOWCU-ZDUSSCGKSA-N 351.288 3.538 0 1 FHAF CC(=O)c1ccnc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1 222722731 LPVAPMSEQYAFMQ-UHFFFAOYSA-N 362.393 3.698 0 1 FHAF CC(C)[C@](C)(O)c1nc2cc(Br)c(Br)cc2[nH]1 586891760 VKOOLNXEQPYTFL-LBPRGKRZSA-N 362.065 3.951 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 586891842 QSKQSDACUBCFKZ-FZKQIMNGSA-N 358.463 3.502 0 1 FHAF Oc1cc(O)nc(SCc2nc3ccc(Oc4ccccc4)cc3[nH]2)n1 586967282 WINIHQIARQZOLQ-UHFFFAOYSA-N 366.402 3.849 0 1 FHAF Clc1ccc(-c2cnccc2-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587075984 GZUHOABUZLYZEU-UHFFFAOYSA-N 373.807 3.921 0 1 FHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)cnc2[nH]1 587112985 MYNIYLAAIJOGOM-MRXNPFEDSA-N 366.318 3.515 0 1 FHAF CNc1c(F)cccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587135568 HXLWYTYJTYBIPR-UHFFFAOYSA-N 364.174 3.871 0 1 FHAF Cc1ccc(C)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc12 587237268 PKMYFARTSMHMDB-UHFFFAOYSA-N 359.470 3.835 0 1 FHAF O=C(O)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349510 GCIJCDHYRJHGCR-JKPXSAOISA-N 370.376 3.904 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)cc1-n1cncn1)O2 587378830 QONVKKVAIPLADK-QGZVFWFLSA-N 354.797 3.518 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(Cl)cc1)O2 587380377 UBLISVPTSKOUML-IBGZPJMESA-N 358.825 3.983 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 587395457 MGXMSRURJHNIQW-SUMWQHHRSA-N 360.454 3.558 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587442379 JAKIZVLSIOKOBS-YCRPNKLZSA-N 373.449 3.602 0 1 FHAF Cn1cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2n1 587583757 XNPMVVDTXWFUMH-UGKGYDQZSA-N 372.380 3.982 0 1 FHAF Cc1ncn(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587754209 KPYVBTPNZWIIPA-BMLIUANNSA-N 366.278 3.851 0 1 FHAF COc1cc(C)nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587772062 NEVQJVPLRUDIQO-XYZCENFISA-N 365.246 3.924 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C(=O)O)N1 587825105 FQVLSNOQKQATFZ-FVMDXXJSSA-N 364.214 3.910 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(C2CC2)N1 587825823 FPLXHKWBSJYLBD-XXFAHNHDSA-N 356.235 3.593 0 1 FHAF COC(=O)c1ccoc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587829984 RVYPNBDXYKCMED-RTHLEPHNSA-N 368.202 3.591 0 1 FHAF O=C1C[C@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)CN1c1ccccc1 587876545 TWWMGAZBHHHXLT-LBPRGKRZSA-N 363.348 3.488 0 1 FHAF O=C(O)CCc1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O 587944483 CSWWPYQVLBJCFX-INIZCTEOSA-N 373.380 3.871 0 1 FHAF Cc1nc(-c2cccnc2)sc1[C@]1(C)NCCc2c1c(C(C)C)nn2C 962917283 MAFHXZFWGVICKI-HXUWFJFHSA-N 367.522 3.780 0 1 FHAF CC(C)Oc1cccc([C@@]2(C(F)F)NCCc3c(C(=O)O)cccc32)c1 963119402 DUEWKBLUXJAXRF-HXUWFJFHSA-N 361.388 3.826 0 1 FHAF O=C(CCN1CCC[C@@H]1Cc1ccccc1)c1ccc2c(c1)OCCO2 1185979 RPHXTNLAEXOZHL-LJQANCHMSA-N 351.446 3.738 0 3 FHAF aggregator O=C(N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1cccs1 199359029 PKZZJCTXSHSNSY-OAHLLOKOSA-N 362.882 3.713 0 3 FHAF CCc1ccccc1N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2109757 GAVSQXAABSWILU-JOCHJYFZSA-N 359.429 3.970 0 1 FHAF biogenic COC(=O)C[C@H](C)c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 13407823 XTKUXKSLSNDPOT-SDDRHHMPSA-N 374.433 3.843 0 1 FHAF biogenic O=C(O)CC[C@@H](O)c1ccc(OCc2ccccc2Br)cc1 45497100 GTUIXHUWVLOALM-MRXNPFEDSA-N 365.223 3.926 0 1 FHAF C[C@@H]1CCCN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)[C@@H]1C 96283036 OIKKWZUQICZOOT-VXGBXAGGSA-N 359.451 3.876 0 1 FHAF CC[C@H]1[C@@H]2[C@H]3Cc4ccc(O)cc4[C@]2(CCN3CC2CC2)CC(=O)[C@@H]1C 101192360 WNPYNRMJONMARB-SOMOSNFESA-N 353.506 3.922 0 1 FHAF O=c1[nH]nc(Cc2ccc(F)c(CNC3CCCCC3)c2)c2c1CCCC2 139500323 YMVMRHXGXNPKEF-UHFFFAOYSA-N 369.484 3.801 0 1 FHAF CNC(=O)CCC[C@@H](C)C[C@@H](OC(=O)[C@H](C)CCCC(=O)O)C(C)(C)C 299839528 SKLMRKWXCZJJAR-BZUAXINKSA-N 371.518 3.778 0 1 FHAF O=C(NCc1ccccc1)NC(=O)c1ccccc1OCc1ccccc1 299869510 UUZXJHFMRVOCFB-UHFFFAOYSA-N 360.413 3.905 0 1 FHAF O=c1c2c[nH]nc2c2ncc(-c3ccc(F)cc3)cc2n1CC(F)(F)F 473133204 YSIFLGLCLMIFIP-UHFFFAOYSA-N 362.286 3.641 0 1 FHAF Cn1cc(-c2ncc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)s2)cn1 587021201 GHSYMEBKGFNMTD-UHFFFAOYSA-N 351.222 3.789 0 1 FHAF COc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1C 587084607 DYIISCWQLFKXDM-UHFFFAOYSA-N 357.845 3.707 0 1 FHAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(Cl)ncnc2[nH]1 587192540 VIZBWHJNYOSXPT-ZDUSSCGKSA-N 373.844 3.963 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 587196004 OLFUHJFZEAACQY-CYBMUJFWSA-N 357.479 3.574 0 1 FHAF CN(C)C(=O)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 587258372 JAQQELWWXWYCDE-SFHVURJKSA-N 358.445 3.660 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3c[nH]nc32)[C@@H]1c1ccc(F)cc1 587349384 UOZCVNOIXUFPMR-NQIIRXRSSA-N 364.376 3.845 0 1 FHAF CC[C@]1(c2cn[nH]c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350178 WUVLFIOUXHJQNG-UYAOXDASSA-N 352.365 3.919 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nc3ncccn13)O2 587393770 LWWUWPYKQMTADT-GOSISDBHSA-N 370.412 3.993 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(Br)s1)O2 587412548 IUGYABOPDPNTGA-AWEZNQCLSA-N 353.241 3.677 0 1 FHAF CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587413163 QGDHQYSJMJTMBE-IIBYNOLFSA-N 353.418 3.626 0 1 FHAF COc1cccc(-c2n[nH]cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587438252 DMPHNGDEXIVDSF-QVKFZJNVSA-N 362.385 3.583 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1cccs1)[C@@H](C2)C3=O 587448695 BKHUTWBTCURVKN-ORAYPTAESA-N 358.415 3.655 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4cccnc4)s1)[C@@H](C2)C3=O 587451772 KMNOBVXFKABBLZ-UGSOOPFHSA-N 350.399 3.702 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ncnc1N(C)C)CC2=O 587462466 QIZNPTKDMHVIFN-AWEZNQCLSA-N 361.829 3.561 0 1 FHAF N=c1[nH]c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 587575660 KDFXYMNCSZSQRH-JXFKEZNVSA-N 374.352 3.649 0 1 FHAF COCCC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCC1 587594374 HCECRXDEDNZIJW-PXNSSMCTSA-N 354.402 3.929 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccnn2C)N1 587761182 TUZDDVSICCSUOX-WVFARQBBSA-N 364.262 3.785 0 1 FHAF CCn1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587761643 BORDPYYFSSSVGH-ABKXIKBNSA-N 352.251 3.737 0 1 FHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1 587787077 UPANPAOKHNSHIJ-ZIAGYGMSSA-N 352.390 3.524 0 1 FHAF COC(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587803736 BVRDWRLPJHKSAV-HWPZZCPQSA-N 358.251 3.537 0 1 FHAF COC(=O)C12CC([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)(C1)C2 587807092 KXVXKRBKHFKNFC-PCPDBVAHSA-N 368.246 3.507 0 1 FHAF COC(=O)[C@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587807136 LCJLTTHVXKYYRH-QLJPJBMISA-N 358.251 3.537 0 1 FHAF CC(=O)OC1=C(C)[C@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587807933 FOTLRMQGYAJJBE-XYZCENFISA-N 368.246 3.949 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc3C2=O)N1 587818623 RNEYPRMUGDFVBB-YPMLDQLKSA-N 360.226 3.757 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC2OCCO2)N1 587828916 AZTADIUYWCTAPI-MEBBXXQBSA-N 358.251 3.707 0 1 FHAF COc1ccc([C@@H](c2ccccc2)c2nc3c(O)nc(S)nc3[nH]2)cc1 587934063 ANVSRBDWXWHJBW-CQSZACIVSA-N 364.430 3.536 0 1 FHAF Oc1cc(-c2ccco2)c(O)n1-c1cc2cnccc2c(Br)n1 587940026 HFZYIRJELAKWSP-UHFFFAOYSA-N 372.178 3.854 0 1 FHAF COc1cnc2c(c1)[C@]1(CCC2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962566920 JLNPDECBOODWOO-JLCFBVMHSA-N 368.477 3.564 0 1 FHAF COC(=O)[C@@]1(c2c[nH]c3cc(F)ccc23)NCCc2cc(Cl)ccc21 963390328 HKHMFISACCXDPO-LJQANCHMSA-N 358.800 3.523 0 1 FHAF Clc1ccc2c(NCCNCc3ccc4c(c3)OCO4)ccnc2c1 1772623731 UFWHSUUUIWAKFP-UHFFFAOYSA-N 355.825 3.819 0 1 FHAF COc1ccc(Nc2ccc3c(c2)[C@@](O)(Cc2ccccc2)C(=O)N3)cc1 1857592253 FQVOZOGYGUMSFF-QFIPXVFZSA-N 360.413 3.821 0 1 FHAF CCOC(=O)CCc1ccc(Oc2cc(C=CC(=O)OC)ccc2O)cc1 2356496160 RPIFZBLUZMLYHZ-UHFFFAOYSA-N 370.401 3.866 0 1 FHAF Cc1cc(C)n2c(Br)c(CN3C[C@@H](C)C[C@H](C)C3)nc2n1 3354838 IBGJMJPNHBQYAM-QWRGUYRKSA-N 351.292 3.587 0 3 FHAF CC[C@H]1CC[C@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)C1 101678232 ASUPALFNMIVBLS-BBRMVZONSA-N 362.857 3.642 0 1 FHAF CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 100092802 LZNSCUPYUHJHPK-STZWWLEUSA-N 361.489 3.716 0 1 FHAF C[C@H](NC(=O)/C=C/c1ccc(F)cc1F)c1cccc(N2CCOCC2)c1 26729343 PXLXPITXDJKOHW-VFADXPBXSA-N 372.415 3.692 0 1 FHAF Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(O)nc(=O)n3C)cc1 103663582 HGRFOEUOFSYIEX-HNNXBMFYSA-N 365.433 3.644 0 1 FHAF CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2cccc(C(=O)O)c2)cs1 61908865 QKTXUNWHLRYDDM-QGZVFWFLSA-N 370.405 3.873 0 3 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(Cl)c(Br)c2)C[C@@H]2CC[C@H]1N2C 28466454 CLDUXOXUODATIA-RBDSIQFVSA-N 372.690 3.842 0 1 FHAF CC(C)CNC(=O)[C@@]1(C)CCCN1C(=O)Cc1cccc2ccccc12 61927298 WGQQYJBATCFYFI-JOCHJYFZSA-N 352.478 3.536 0 3 FHAF CNc1nc2cnc(Nc3ccc(OC(C)C)cc3)cc2n1CCOC 74388692 TUOKYVXCXHCYLB-UHFFFAOYSA-N 355.442 3.650 0 1 FHAF COCCn1c(CC(C)C)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188495 PMDVAGVXWGAPRF-MRXNPFEDSA-N 367.497 3.887 0 1 FHAF C[C@@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)C(F)(F)F 220636125 VMUSKNFYMVIPRG-ZYHUDNBSSA-N 352.316 3.537 0 1 FHAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3c(C)cc(C)cc32)c1 40899075 ZGCZMYJDFIRBHU-SFHVURJKSA-N 351.402 3.689 0 1 FHAF CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)C(=O)NC3)CC1 84687567 LFTBMVKQYIOACD-UHFFFAOYSA-N 373.497 3.769 0 1 FHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(F)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 40892709 QNPGKQWDLORNMM-QKWYZMCSSA-N 366.473 3.593 0 1 FHAF Nc1ccccc1C(=O)c1cn(-c2cccc(Oc3ccccc3)c2)nn1 96270226 XCAPCSTYYUONFZ-UHFFFAOYSA-N 356.385 3.873 0 1 FHAF Cn1c(CN2C[C@@H]3[C@@H](COc4cc(F)ccc4F)[C@@H]3C2)nc2ccccc21 253665781 HIZJQKRTPMIKGW-ZSHCYNCHSA-N 369.415 3.608 0 1 FHAF CC(=O)c1nnn([C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c1C 653740442 JJKKTZSPPSRGAB-HNNXBMFYSA-N 364.236 3.582 0 1 FHAF Cc1ccccc1-c1cc(O)n(-c2cnc(C)c(Br)n2)c1O 587939106 BMHUFOVVCSAELY-UHFFFAOYSA-N 360.211 3.725 0 1 FHAF Cc1cc(C)n(C[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587765304 SIWWSUSZMAFEGJ-XXFAHNHDSA-N 352.251 3.677 0 1 FHAF COC(=O)C(=O)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cc(F)ccc12 587633403 AUBHGASHJYCLQC-UHFFFAOYSA-N 363.291 3.931 0 1 FHAF COC(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809103 QJXQOAHUUABUEB-BTDLBPIBSA-N 372.278 3.927 0 1 FHAF CC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)c1 587751622 NEKGKSIHHAUQPU-HUTHGQBESA-N 365.246 3.753 0 1 FHAF CCOC(=O)CNc1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 587227053 IXOLYWNGOYZPHL-UHFFFAOYSA-N 364.327 3.619 0 1 FHAF Cc1nc2[nH]c(C[C@H]3OCCc4ccsc43)nc2cc1Br 587037113 SDIXQLJIAPWMBK-GFCCVEGCSA-N 364.268 3.947 0 1 FHAF O=C(O)c1ncccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987489 BSPYBISPGDIZRQ-UHFFFAOYSA-N 368.348 3.912 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(C)cc1-c1cnn(C)c1)[C@@H](C2)C3=O 587430376 DUSFAUHPPCYJEK-PGRDOPGGSA-N 360.413 3.893 0 1 FHAF CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1cc(Cl)ccc1C(=O)O 584905079 KOHMGERIGIVBEC-FZMZJTMJSA-N 352.862 3.781 0 1 FHAF in-vitro Oc1ncc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1Cl 961614261 JVIZDNADDOFYBW-CQSZACIVSA-N 365.658 3.971 0 1 FHAF CCOc1ccc(-c2n[nH]cc2[C@H]2NCCc3c2c(C(C)C)nn3C)cc1 962921644 UVGBTDYDVZZWTA-OAQYLSRUSA-N 365.481 3.567 0 1 FHAF CCCn1c(-c2cccc(C(=O)O)c2)nc2[nH]c(C3CCCC3)nc2c1=O 1772587643 MJBQBFNWIMVQKY-UHFFFAOYSA-N 366.421 3.552 0 1 FHAF COc1ccc(Cc2nc3ccc(C(=O)NCCSC)cc3o2)cc1 12437931 DFEPNPKFDWNMPD-UHFFFAOYSA-N 356.447 3.520 0 3 FHAF O=C(N[C@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 13451333 LDYMIBZOCSHLBG-WBAXXEDZSA-N 360.885 3.583 0 1 FHAF Oc1nc(N2CCC3(CC2)CNc2cccc(Cl)c23)nc2c1CCCC2 1857544895 VYNMMNYWFMDPRI-UHFFFAOYSA-N 370.884 3.678 0 1 FHAF COc1ccc(-c2cc(-c3ccc4c(c3)OCCO4)cc(O)n2)c(OC)c1 1857556797 YSTBALIMPSMNKT-UHFFFAOYSA-N 365.385 3.910 0 1 FHAF CCCCC[C@H](O)CC[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 27874950 OEDXRWPENJANEX-MLHJIOFPSA-N 356.503 3.699 0 1 FHAF CC(C)=CCC[C@](C)(O)CC(=O)c1cc(O)c(Br)cc1O 13430772 YBJQYGUPGUBPII-INIZCTEOSA-N 357.244 3.931 0 1 FHAF biogenic CCCN(C)C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 13529281 OVJLBHULUOXYFR-IBGZPJMESA-N 355.478 3.584 0 1 FHAF N[C@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@@H]1c1ccc(F)cc1Cl 14958721 NPRMBEFOHOIZLG-ZBFHGGJFSA-N 374.872 3.929 0 1 FHAF CCCCc1c(OC(C)=O)c2cccnc2n(-c2ccc(F)cc2)c1=O 26186552 VBHJPOAOMXHNFR-UHFFFAOYSA-N 354.381 3.793 0 1 FHAF CCN(CC)CCOc1ccccc1O[C@@H](Cc1ccccc1)C(C)=O 27880516 AFESENZIXIFHHG-QFIPXVFZSA-N 355.478 3.986 0 1 FHAF CCCCOC(=O)Cc1cc(Br)c(O)c(Br)c1 28872176 AWZUMAYFUIJDOZ-UHFFFAOYSA-N 366.049 3.803 0 1 FHAF biogenic COc1cc2ncnc(N3CCO[C@H](c4ccc(C)cc4)C3)c2cc1OC 43193792 MKZPZJHRWMNYJL-FQEVSTJZSA-N 365.433 3.533 0 1 FHAF COCCCNc1nc2cc(C)c(C)cc2n1CC(=O)c1ccc(O)cc1 45387707 KHBJEOULIKDIFS-UHFFFAOYSA-N 367.449 3.690 0 1 FHAF CSc1ccc(Oc2ccc(C(=O)N3CCN(C(C)C)CC3)cn2)cc1 53229567 LTHROSCZBPRQEK-UHFFFAOYSA-N 371.506 3.762 0 1 FHAF COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(CO)cs1 82074780 YYJBQNJMXAEAQT-UHFFFAOYSA-N 369.446 3.692 0 1 FHAF O=C1N(Cc2ccccn2)c2ccccc2[C@]12COc1cc(F)c(F)cc12 103191011 MYQDQFCMCMXVDJ-NRFANRHFSA-N 364.351 3.585 0 1 FHAF CC1(C)c2cc(OC3COC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114801736 ANGXOLUWLHRSIP-UHFFFAOYSA-N 358.397 3.687 0 1 FHAF COc1ccc(-c2nnc([C@H](NCc3ccccc3)c3ccc[nH]3)o2)cc1 169307893 QMBBPUZJBZGPGW-LJQANCHMSA-N 360.417 3.953 0 1 FHAF OCCCCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 216325727 HTVIFUZQDNXMBT-UHFFFAOYSA-N 364.453 3.933 0 1 FHAF O=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2ccccn2)nc1 261169268 SOCQNJJCWRZOOG-UHFFFAOYSA-N 367.405 3.843 0 1 FHAF Cc1ccc(C2=C[C@@H](c3oc(CO)cc(=O)c3O)c3ccccc3O2)cc1 299871776 ZFQHULBCUDOMHJ-QGZVFWFLSA-N 362.381 3.712 0 1 FHAF O=C1CCc2cc3nc(-c4c(F)c(F)c(S)c(F)c4F)[nH]c3cc2N1 587133950 FYZCKXWWPIKJFF-UHFFFAOYSA-N 367.327 3.960 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587134529 MOWORWMOKJUAGR-ZDUSSCGKSA-N 356.304 3.799 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(N)c(Br)c31)O2 587373381 USJAXVHPVOEEHO-GOSISDBHSA-N 373.250 3.729 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCN(Cc3ccccc3)CC1)O2 587395512 NLJNNBPIZGKHRG-NRFANRHFSA-N 350.462 3.823 0 1 FHAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587577431 NOULCEMIAQZYSQ-RXVVDRJESA-N 372.380 3.982 0 1 FHAF COC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1-c1cc(F)c(F)cc1F 587637210 FDSHPHSYKRWMCP-UHFFFAOYSA-N 363.291 3.666 0 1 FHAF CNc1ncccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587743452 OPBDZNPADPPVEU-PSLIRLAXSA-N 350.235 3.649 0 1 FHAF CCCCNS(=O)(=O)c1ccc2nc(-c3c(C)cccc3OC)[nH]c2c1 587786659 JQCLMDXGCXJBPA-UHFFFAOYSA-N 373.478 3.625 0 1 FHAF CCOC(=O)[C@H](CC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587795755 JDWHFQJKFMSFAY-YOIRWDDOSA-N 372.278 3.927 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC(=O)C[C@H]3C2)N1 587817983 OAJQBPRUGNPTGS-OFVQYIOZSA-N 352.247 3.707 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCCO1 587866325 YDPFEWMYNJXFEP-CQSZACIVSA-N 354.328 3.787 0 1 FHAF COc1cc(NC(=O)Nc2nccs2)cc(-c2cccnc2)c1OC 653766941 KNHKFZXMTYARSM-UHFFFAOYSA-N 356.407 3.866 0 1 FHAF COc1ccc2c(c1)[C@](C(=O)O)(c1c[nH]c3ccccc13)N(C(C)C)CC2 962088352 GZHFNAHHKADOLK-JOCHJYFZSA-N 364.445 3.771 0 1 FHAF COc1cc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)ccn1 962714409 ONVRKOTYILDNBE-FOIQADDNSA-N 358.482 3.856 0 1 FHAF CCOC(=O)Nc1ccc(NCc2ccc(OC(F)(F)F)cc2)nc1N 1772607644 AADDBCKTCWTRAK-UHFFFAOYSA-N 370.331 3.743 0 1 FHAF Cc1cc(N)nc(CCc2cc(F)cc(CC[C@@H]3C[C@H](F)CN3C)c2)c1 1857572736 ASCMQTSVWSFRKT-AZUAARDMSA-N 359.464 3.871 0 1 FHAF CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CC[N@]2C[C@H]2C)c(C)c1 1857742111 NCVFXEZVQBNROF-DYESRHJHSA-N 365.539 3.934 0 1 FHAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cc1 2356301728 CTSMAVLYJNXCMS-LPHOPBHVSA-N 356.397 3.576 0 1 FHAF COc1ccc2nc(CO[C@@H]3CN(Cc4ccc(C)cc4)C[C@@H]3F)[nH]c2c1 2356302521 XNKAYVAJIXNHAL-FXAWDEMLSA-N 369.440 3.619 0 1 FHAF COC(=O)C=C(C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2[C@@H](O)C[C@@]1(C)O 2356635843 MDVKJBFHLSNOIH-UAOIFFKFSA-N 352.515 3.850 0 1 FHAF CC(=CCCC(C)=CCC[C@@]1(C(=O)O)CC(=O)c2cc(O)ccc2O1)CO 2356746117 VLXRBLIWOFMVDW-NRFANRHFSA-N 374.433 3.626 0 1 FHAF COc1ncnc2c1ncn2CCCN[C@H](C)c1cccc2ccccc12 61922660 NGFBANXMJUXFKL-OAHLLOKOSA-N 361.449 3.729 0 3 FHAF CN1O[C@@](C)(CC(=O)N(C)c2ccccc2)N=C1c1cccc(Cl)c1 74373582 QREZZXMAAQIRMC-IBGZPJMESA-N 357.841 3.733 0 3 FHAF Cc1ccnc2c1nc(N1CCN(Cc3ccccc3)CC1)c1cccn12 13762464 ZHKBEFRQNFTOHD-UHFFFAOYSA-N 357.461 3.513 0 1 FHAF COCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C 26724181 BPQBOYKVKMDZQU-UGKGYDQZSA-N 366.505 3.619 0 1 FHAF COC(=O)[C@@H]1[C@@H](OC(c2ccccc2)c2ccccc2)C[C@@H]2CC[C@H]1N2C 27205772 JHZOGWJGKSOSOG-WOZUAGRISA-N 365.473 3.817 0 1 FHAF COc1ccc(-c2ccc[nH]2)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c1 64564862 VDWNKWKPOSVOMC-UHFFFAOYSA-N 367.401 3.947 0 1 FHAF COc1cccc(CCc2nnc(-c3ccc4[nH]cnc4c3)s2)c1OC 72317052 PGOIBMREWDPPGV-UHFFFAOYSA-N 366.446 3.884 0 1 FHAF Fc1ccc(-c2nnc(SCc3cn(Cc4ccccc4)nn3)o2)cc1 95872098 WUHMYQKOOWWXNO-UHFFFAOYSA-N 367.409 3.808 0 1 FHAF O[C@@H](c1ccccc1)[C@H](Cn1ccnn1)c1ccc(Br)cc1 96286431 FZMGJYBCPDAGRU-SJORKVTESA-N 358.239 3.558 0 1 FHAF CCCCC[C@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 101791193 OMZWQYNMKBPQOL-ZDYWXSKUSA-N 369.505 3.740 0 1 FHAF Cc1cc2c(NC(=O)C(=O)O)cccc2n1Cc1ccc(O)c(C(C)C)c1 103239820 NUVOUOHXOKZTQW-UHFFFAOYSA-N 366.417 3.850 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1cnc(NCc2c(F)cccc2F)nc1 149818774 XDUZVXZUJVTOIO-UHFFFAOYSA-N 369.297 3.786 0 1 FHAF Cc1noc(C)c1-c1ccc2c(c1)[C@H](OCCCN1CCOCC1)CC2 169322588 LXBJSSDJAGOMTP-HXUWFJFHSA-N 356.466 3.685 0 1 FHAF CN1CCC[C@H]1CCNC(=O)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@@H]21 169342019 NZYFTXGDQKJVTP-RLFYNMQTSA-N 362.901 3.973 0 1 FHAF CC(C)(SCC(=O)O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586959272 MRGQVCDWIIQUTP-UHFFFAOYSA-N 369.315 3.665 0 1 FHAF COC(=O)c1ccc2nc(-c3cc(NC(C)=O)ccc3Cl)[nH]c2c1OC 587049959 KQFNUXOUOCPWHJ-UHFFFAOYSA-N 373.796 3.637 0 1 FHAF N[C@@]1(c2nc3cc(Br)c(F)cc3[nH]2)C[C@H]1c1ccccc1F 587155198 IMMLQBZLWDJSDF-FVMDXXJSSA-N 364.193 3.945 0 1 FHAF O=C(/C=C\c1nc2c(F)c(F)c(F)c(F)c2[nH]1)Nc1ccc(F)cc1 587166636 FRZSYLVQHPJWNX-WAYWQWQTSA-N 353.250 3.910 0 1 FHAF CCOC(=O)C[C@@]1(Cc2cccc(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587384583 NAWHRRSGFZEEFZ-OAQYLSRUSA-N 371.408 3.616 0 1 FHAF CCCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2[nH]c(=N)oc12 587392455 ZPSSFUSICFRYNO-INIZCTEOSA-N 367.405 3.626 0 1 FHAF COc1ccc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(O)nc2c1 587395056 NNQWERUCEWKJST-SFHVURJKSA-N 350.374 3.546 0 1 FHAF CCOc1ccc(CN(C)C)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428616 LALOUOGMKQPGQH-VGOFRKELSA-N 367.445 3.644 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(Br)n1C)CC2=O 587458971 MJIOMHHWSFVHRH-CYBMUJFWSA-N 365.227 3.547 0 1 FHAF CCCc1c(O)ccc2c1OC(c1cccn1C)(c1cccn1C)CC2=O 587469392 DMHGMWOIGQFXQI-UHFFFAOYSA-N 364.445 3.931 0 1 FHAF O=C(c1cccc(C(F)(F)F)c1)n1ncc2ccc(Cl)cc2c1=O 587652006 STMCBYNBTGQWNG-UHFFFAOYSA-N 352.699 3.757 0 1 FHAF O=C([C@H](O)c1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658995 WVSCOOAXHIXXNI-HXUWFJFHSA-N 374.371 3.576 0 1 FHAF CC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587700313 ALEQVOARZOLOCQ-WPPNPWJKSA-N 368.168 3.859 0 1 FHAF CCN(CC)C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587742145 QFQUSCVENSDFGN-DIFFPNOSSA-N 371.294 3.596 0 1 FHAF CC[C@]1(c2nccn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587752800 GFBLZYHZGGYIPM-QFYYESIMSA-N 352.251 3.510 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)[C@H]3CCC[C@@H]32)N1 587768591 KXFIESILSYYYOJ-NZAYIMIOSA-N 367.306 3.822 0 1 FHAF CCCOc1cc2nc(COCCOCC)[nH]c2cc1Br 587779173 VNQDRJAPKDIRIN-UHFFFAOYSA-N 357.248 3.667 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2CCO)N1 587828051 QZZOVIYXFSCUNY-NDGTYSDOSA-N 356.279 3.890 0 1 FHAF COC(=O)c1coc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587831038 VMKQEGCPVJABJS-VXJOIVPMSA-N 368.202 3.591 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2ccc(O)cc2)N1 587831777 IESBXOFIJAEKRH-XXFAHNHDSA-N 364.214 3.752 0 1 FHAF CSc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587841459 AYSPHGYNYBKYJF-CLAHSXSESA-N 368.275 3.724 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C)o1 587868639 NTZLEUBFKHPQCO-UHFFFAOYSA-N 351.284 3.562 0 1 FHAF CC(C)(C)n1ncc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Cl)c1=O 587874308 UJXPXSRYDRPGEW-UHFFFAOYSA-N 360.776 3.749 0 1 FHAF COc1ccc(CCCc2nc3cc(OC)cc(OC)c3[nH]2)c(OC)c1 587928506 HTRTZDSQBFXTRP-UHFFFAOYSA-N 356.422 3.773 0 1 FHAF CCOc1ccc([C@@]2(C)NCCc3c2c(C(C)C)nn3C)c(OCC)c1 962922193 VXCFXKSHSQWSDA-OAQYLSRUSA-N 357.498 3.750 0 1 FHAF Cc1cnc([C@@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)[nH]1 962950970 FIHMUFDVODPHIR-KRWDZBQOSA-N 365.399 3.652 0 1 FHAF Cc1cccc2nc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)ccc12 963226163 KNKMCQWCCWPPJP-YADHBBJMSA-N 369.424 3.780 0 1 FHAF COc1ccc2oc([C@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cc2c1 963233595 PAKPLRJNQCRUNP-RXVVDRJESA-N 374.396 3.678 0 1 FHAF COc1ccc(-c2cc3c(cn2)[nH]c(=NCc2cccc(C)c2)n3C)cc1 1857606754 BRKWGPUTMDSLKE-UHFFFAOYSA-N 358.445 3.986 0 1 FHAF COc1cc(C(=O)c2cnn(-c3cc(C)ccc3C)c2)cc(OC)c1OC 1857653518 KIDOZKUBYDOYLJ-UHFFFAOYSA-N 366.417 3.746 0 1 FHAF Cc1nc2ccccc2c(-c2cncnc2)c1[C@@H](OC(C)(C)C)C(=O)O 1857765660 IVVSQRCPOLZLSR-GOSISDBHSA-N 351.406 3.941 0 1 FHAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)O 2356346650 VSRXYLYXIXYEST-SQNIBIBYSA-N 352.471 3.683 0 1 FHAF Cc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)n1 2356759012 ZGCOSQFRCVRPAY-PXNSSMCTSA-N 368.456 3.622 0 1 FHAF COc1cc([C@@H](O)c2nc(-c3cccc(NC(C)=O)c3)cs2)ccc1F 61895601 MQWZRUPTCSYFLX-GOSISDBHSA-N 372.421 3.998 0 3 FHAF CCCCCC[C@H]1CC[C@@]2(NC(=O)NC2=O)[C@@H]1CCCCCCC(=O)O 4214336 FFUQYYWTQVXVNM-RZQQEMMASA-N 366.502 3.986 0 1 FHAF in-man CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4C5=C(CC[C@@]4(C)[C@@H]2CC[C@@H]1C3)OCC5 29207520 PFBDJHPYAAHUPA-WPOGFBIBSA-N 360.494 3.972 0 1 FHAF Cc1ccc(C)c(N2c3cc(Cl)ccc3S(=O)(=O)c3c(N)n[nH]c32)c1 42889095 RGFLGAFVOLRECG-UHFFFAOYSA-N 374.853 3.878 0 1 FHAF C[C@H]1CCc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 49034678 VLGARHNNCOWEGF-PRWKNARSSA-N 351.837 3.941 0 1 FHAF CN(C)C(=O)Oc1cccc(-c2cn3c(C(F)(F)F)cccc3[n+]2C)c1 49047810 AARUDAJTDANRJK-UHFFFAOYSA-N 364.347 3.510 0 1 FHAF COc1ccc([C@H]2c3ccc4ccccc4c3O[C@H]3NC(=O)NC(=N)[C@H]23)cc1 64453378 MIDSAJAJOYYSFS-BBTUJRGHSA-N 373.412 3.605 0 1 FHAF COc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1 71340370 LRYZFFQIBWKGEK-UHFFFAOYSA-N 350.209 3.590 0 1 FHAF CC(C)C(=O)N[C@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C 95579782 BLASTQMPHSPAPH-SFHVURJKSA-N 364.917 3.843 0 1 FHAF C/C=C/c1ccc([C@@H]2[C@H]3CN(Cc4cc(OC)cc(OC)c4)C[C@@H]2N3)cc1 100106821 BPJJYZPHSQMGQT-DPTAYEOSSA-N 364.489 3.677 0 1 FHAF CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1cc(OC)ccc1OC 101616385 AMDVXHRQEAMYFN-HVESIFNPSA-N 372.425 3.577 0 1 FHAF O=C1NC(=S)N/C1=C/c1ccc(-c2ccc(Br)cc2)s1 103224329 DDERLRYSNWDQIC-YRNVUSSQSA-N 365.277 3.523 0 1 FHAF O[C@@H]1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 138984733 CSZJRBHFDVKIKS-QGZVFWFLSA-N 362.433 3.974 0 1 FHAF CCCC(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 169315428 AWHHKTZQXWPGKA-IBGZPJMESA-N 356.809 3.799 0 1 FHAF CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CCCCCC=CCc2ccccc21 253652204 WLMKUHSUSVRAIJ-XMSQKQJNSA-N 372.461 3.633 0 1 FHAF COc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 587013926 GDMCQWNTGULFTQ-UHFFFAOYSA-N 360.439 3.720 0 1 FHAF COc1cccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587133184 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COCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587618546 UPBDYNVJMAVVTM-YLJYHZDGSA-N 352.342 3.835 0 1 FHAF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@H](NC(=O)OC(C)(C)C)C(=O)O 587631600 QGCXDMBTGDJBGL-ZDUSSCGKSA-N 356.781 3.919 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1-c1ncc2c(n1)-c1ccccc1CC2 587653409 VMOXMUNRIWSOSS-UHFFFAOYSA-N 360.804 3.595 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)c(Cl)c2)N1 587700003 UEJHGAOSXPEAOZ-JKYUHCHBSA-N 371.637 3.966 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)nn2)N1 587707440 VSTHALUULBFQDO-UOWDBTKRSA-N 356.626 3.655 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2C(F)F)N1 587715590 HYUGAYJOLIURHJ-UHLUBPPHSA-N 374.204 3.883 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cn2)N1 587736600 WMGNHJWSWAUZJD-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(N)ccc32)N1 587743598 DTAHCWUFPFOOQV-MLCYQJTMSA-N 361.258 3.894 0 1 FHAF Cc1n[nH]c(C)c1C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801911 IDUINHKGIKAZBA-HUTHGQBESA-N 366.278 3.920 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)o2)N1 587826970 HORPGVOAKOVVPN-JKYUHCHBSA-N 354.175 3.503 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(O)c2)N1 587836082 ZKXOEUFUWQNNBO-ZKANADHPSA-N 352.203 3.623 0 1 FHAF Cc1[nH]c(=N)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587849575 AYBBRIIHDIJXNE-ZIDLFYJRSA-N 370.291 3.563 0 1 FHAF COc1cccc2cc3c(nc12)[C@H](c1ccccc1-c1cncnc1)NCC3 963055671 JIUDUSYGDSEUJY-QHCPKHFHSA-N 368.440 3.936 0 1 FHAF CC(C)(C)OC(=O)N[C@H](CC1CCC1)[C@@H]1NCCc2c(C(=O)O)cccc21 963125771 UMJYTHMCRPEAHB-QZTJIDSGSA-N 374.481 3.655 0 1 FHAF CC(C)Nc1nccc(-c2c(C3CC3)nc3cc(CN(C)C)ccn23)n1 1857598575 CFHJUJFEDYKNBD-UHFFFAOYSA-N 350.470 3.551 0 1 FHAF CN1CCC(c2nc(-c3ccc(F)cc3)c(-c3cc[nH]c(=N)n3)s2)CC1 1857764190 RRIILXJVADXRLD-UHFFFAOYSA-N 369.469 3.628 0 1 FHAF COc1cc(CCc2ccc(OCC=C(C)CO)cc2)cc2c1OCO2 2356316505 SJLGMDBWJJNQEB-UHFFFAOYSA-N 356.418 3.527 0 1 FHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)[C@H]1C(C)(C)CCC[C@@]1(O)CC2 2356572372 ZLVNAIYYLQTROQ-PZJWPPBQSA-N 362.466 3.916 0 1 FHAF COc1ccc(-c2ccc3c(c2)COCC(=O)N3CC2CC2)cc1OC 74375840 VYFYMOKWTOVDKC-UHFFFAOYSA-N 353.418 3.644 0 3 FHAF CCOC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(Cl)ccc1Cl 1008950 QFRIDTBJWUZYAR-UHFFFAOYSA-N 368.220 3.829 0 1 FHAF CC[C@@H](C)C(=O)C(=O)NCCc1cn(Cc2ccccc2)c2ccccc12 1547145 AQXQYGDGGAXTKI-QGZVFWFLSA-N 362.473 3.964 0 1 FHAF COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)C2CC2)C3)c1 14986454 VDKLYKZESMCAGX-UHFFFAOYSA-N 353.418 3.502 0 1 FHAF N=c1ncccn1CCCCCCCCCCCCn1cccnc1=N 28865363 FSHMTDIPAYWPHN-UHFFFAOYSA-N 356.518 3.640 0 1 FHAF O=C(Nc1ccc(C(=O)O)c(O)c1)Nc1nc2ccc(Cl)cc2s1 40567237 AWHIKYUHICXWFI-UHFFFAOYSA-N 363.782 3.998 0 1 FHAF Nc1nc2c(-c3cc(Cc4ccccc4)c(Br)[nH]3)nccc2[nH]1 45302235 XHWBZAYNHPMGGO-UHFFFAOYSA-N 368.238 3.889 0 1 FHAF CCCCCCC(=O)OC[C@]1(CO)C/C(=C/C2CCCCC2)C(=O)O1 45497446 YOHGGNOICHXJBN-MJLBXUHQSA-N 352.471 3.685 0 1 FHAF O=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CCNCC1 49068807 BGLAQBRFGVAOTM-UHFFFAOYSA-N 361.848 3.947 0 1 FHAF C=CC1=C(C(=O)NCCc2ccccc2F)[C@H](c2ccc(F)cc2)OC1 73240389 XRBCJNYXHMRRDP-FQEVSTJZSA-N 355.384 3.878 0 1 FHAF CC1(C)CCc2c(cc(O)c3c2O[C@@H](c2ccc(O)cc2O)CC3=O)O1 85989338 ACVUCXHKACKHFE-MRXNPFEDSA-N 356.374 3.614 0 1 FHAF biogenic NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2(c3ccccc3)CC2)c1 101366425 DFAQDDJMQNABPJ-CEQLMSFQSA-N 362.473 3.849 0 1 FHAF CCCCCn1cc(C(=O)N[C@H]2CC[C@H](C)CC2)c(=O)c2c(C)nn(C)c21 101658378 SGCIQRTVVCWDMN-FZNQNYSPSA-N 372.513 3.542 0 1 FHAF FC(F)(F)c1cnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587041992 REPXTUFFFJPWIT-KBPBESRZSA-N 364.396 3.923 0 1 FHAF C[C@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)N(C)C 587192709 ZSNUCUCXXLKWIN-SSDOTTSWSA-N 350.182 3.837 0 1 FHAF O=C(c1ccccc1Cl)c1c(CO)oc2cc(Br)cnc12 587275488 CBJSNMCVEFRXPX-UHFFFAOYSA-N 366.598 3.967 0 1 FHAF COc1ccc([C@]2(CCN(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587381284 GJHAZUOKLPWHSR-NRFANRHFSA-N 372.440 3.537 0 1 FHAF COc1ccc(-n2cccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431381 OIQZTVZMIISYME-VGOFRKELSA-N 361.397 3.983 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCCC[C@H]1Cn1ccnc1)[C@@H](C2)C3=O 587431683 QICRMDJTQLZJSR-HZUJVAHNSA-N 352.434 3.658 0 1 FHAF CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC)c1 587444516 ZZGIXHZAXHRFHN-IERDGZPVSA-N 354.402 3.981 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@@H]1Cn1cncn1)CC2=O 587474218 CXYOAYMIOJCQTJ-VFNWGFHPSA-N 369.465 3.921 0 1 FHAF CCN(CC)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574630 YBJBFHUSVIKUBV-WIYYLYMNSA-N 355.434 3.844 0 1 FHAF CC(=O)C12CC([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)(C1)C2 587603413 OJJXGGKEFXXKPJ-XALWFJFJSA-N 364.397 3.872 0 1 FHAF Cc1nn(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587699922 SYVQOGQWAKEPFS-WJWGPLDTSA-N 372.669 3.907 0 1 FHAF COc1ncccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587772846 PDQJIUJLGVLOFY-BJOHPYRUSA-N 351.219 3.615 0 1 FHAF COC(=O)C12CC([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)(C1)C2 587807095 KXVXKRBKHFKNFC-QGKZNYPCSA-N 368.246 3.507 0 1 FHAF CCn1nc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1C(F)(F)F 587874064 PHNJSPJZEDRJCJ-UHFFFAOYSA-N 366.274 3.719 0 1 FHAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2nc(Br)c[nH]c-2n1 587931272 RRVHXEPBCIUVDB-QFYYESIMSA-N 359.227 3.521 0 1 FHAF COC(=O)C[C@@]1(c2ccc(OC)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963108723 XZIPRMHBTHPUHX-XMSQKQJNSA-N 369.436 3.662 0 1 FHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12c1ccccc1CCC2(CO)CO 963244942 YINILEMROQITIC-MHECFPHRSA-N 365.517 3.504 0 1 FHAF O[C@@H](c1ccc(-n2cnc3c(NCc4ccccc4)ncnc32)cc1)C1CC1 1857559698 TYCIRUVIKHELLN-HXUWFJFHSA-N 371.444 3.871 0 1 FHAF CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc2oc(C)nc2c1 1857631302 RAYHJSWEXYHVRH-UHFFFAOYSA-N 368.824 3.930 0 1 FHAF O=C(O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1F 1857633851 QQCQJRCXBZYLDB-CQSZACIVSA-N 355.287 3.790 0 1 FHAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2cccs2)C1 1911573179 FLJSCZKFBCJGPG-LLVKDONJSA-N 369.273 3.724 0 1 FHAF CC=CC=C[C@@H]1C[C@@H]2OC(C)(C)[C@@H]3CCC(C)=C[C@@H]3[C@@H]2[C@@H](O)[C@H]1C(=O)O 2356333217 ORVJFPWLYFLWRB-SXWOMNNJSA-N 360.494 3.966 0 1 FHAF C[C@@H]1OC(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@@H]1CC[C@H](C(=O)CO)[C@]1(C)CC3 2356597221 ZKSNNZWTKZKEGU-PPEGMEEKSA-N 360.494 3.813 0 1 FHAF Cc1ccccc1CN1CCCC[C@H](NC(=O)Nc2ccccc2F)C1=O 200051652 YHIBPYBZQZDNML-IBGZPJMESA-N 369.440 3.837 0 3 FHAF C[C@@H]1CN=C(c2cc(Cl)c(N)c(Cl)c2)c2c3ccccc3[n+]([O-])n21 206061330 AJZCAZRQBMUUSM-SECBINFHSA-N 361.232 3.576 0 3 FHAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC 775784 HELZSVKQMOLPAF-UKRRQHHQSA-N 374.481 3.785 0 1 FHAF O=C(Nc1ccccc1)N1CCC2(CC1)CCN(C(=O)c1ccco1)CC2 3956166 KWQNASYEZPEFCL-UHFFFAOYSA-N 367.449 3.830 0 1 FHAF CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N(C)C 4211340 WFOVKPRWVZEVGE-MJGOQNOKSA-N 372.852 3.919 0 1 FHAF O=C(NC[C@@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1)c1ccccc1 2356417860 OGHCCECAEQIGGH-QGZVFWFLSA-N 367.836 3.532 0 1 FHAF C[C@H]1CCCN([C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)C1 4564896 XEGOBYSRTDSXFT-YWZLYKJASA-N 352.434 3.827 0 3 FHAF COc1nc2nccnc2c(NCC(C)C)c1-c1ncc(Cl)cc1F 103166724 KCYCBEILFJARDI-UHFFFAOYSA-N 361.808 3.956 0 1 FHAF CCCn1c(=O)n(-c2ccc(Br)cc2)c(=S)n1CCC 103190502 VVHYJOBKXROBRX-UHFFFAOYSA-N 356.289 3.752 0 1 FHAF CCOC(=O)CCCCCCN1N=C2c3ccccc3CC[C@H]2CC1=O 103301555 VOFYTYUAEYGJMN-KRWDZBQOSA-N 356.466 3.699 0 1 FHAF Cc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)cc1 28192395 ANEYEOULSIHKKF-UHFFFAOYSA-N 366.446 3.687 0 1 FHAF C[C@H]1CC=CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 2356550308 MAIXLHSZNVDUIV-NSHDSACASA-N 352.814 3.928 0 1 FHAF O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1cc(-c2ccccc2Cl)[nH]n1 2356587650 SERYUISYWJSLJX-AUUYWEPGSA-N 372.900 3.724 0 1 FHAF C[C@](O)(c1cncc(-c2nc3ccc(C#N)cn3c2C2CC2)c1)C(F)(F)F 221926533 GEQUZEFCHLVDGF-SFHVURJKSA-N 372.350 3.915 0 1 FHAF c1ccc(CN2CCN(CCCOc3ccc4ncccc4c3)CC2)cc1 43072355 VFNNKQWLHYLVLJ-UHFFFAOYSA-N 361.489 3.822 0 1 FHAF CCC(CC)Nc1nc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 40939372 LLQODZTYTMHLOD-UHFFFAOYSA-N 367.501 3.778 0 1 FHAF COC(=O)c1ccc(CN(C)Cc2ccc(C3=CCCN(C)C3)cc2)cc1 653801229 APPVWWYMHICPQH-UHFFFAOYSA-N 364.489 3.824 0 1 FHAF COC(=O)C1=C[C@]2(CCC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587808734 PDBGRYKUKUQOQJ-BTDLBPIBSA-N 368.246 3.601 0 1 FHAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc[nH]c(=N)c2[nH]1 587033768 AQXRNRAOQIJHTL-CYBMUJFWSA-N 365.462 3.856 0 1 FHAF Cc1cn2c(n1)[C@@]1(CC=C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587775788 UEMOVJBJNOMQAT-BTDLBPIBSA-N 362.246 3.745 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)O2 587386835 LNOLUTQYPBKARB-ZDUSSCGKSA-N 362.470 3.947 0 1 FHAF Nc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1N 587032920 VWSXUDPZWCDWAP-UHFFFAOYSA-N 374.267 3.954 0 1 FHAF COC(=O)c1cccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005833 VNXJPRCDGYQGBB-UHFFFAOYSA-N 366.602 3.827 0 1 FHAF CCN1CC[C@]2(C[C@H]1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587757821 BMISDOHHNOVEDL-XWCIJXRUSA-N 355.295 3.822 0 1 FHAF N[C@@H](Cc1cccc(Br)c1)c1nc2c(F)cnc(Cl)c2[nH]1 586984324 PUMJQXVYBODTSB-JTQLQIEISA-N 369.625 3.755 0 1 FHAF CC(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccccc1 587651033 ZRWUSHFTXZNOHB-UHFFFAOYSA-N 356.447 3.947 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(-c4cccs4)nn1C)[C@@H](C2)C3=O 587452649 SIXCASWOCFGATR-BUXKBTBVSA-N 352.415 3.646 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ncc1F)O2 587387437 RMGHNRZOGHBFBL-ZDUSSCGKSA-N 351.175 3.580 0 1 FHAF Cc1nc(N(C)C)ncc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 587194686 LBNNVQKXUXQLAS-UHFFFAOYSA-N 360.259 3.774 0 1 FHAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1CC=C[C@H]2C[C@@H](C(=O)O)C1 587529275 MQOCNCAUZYLMEF-YDGQEPMXSA-N 352.430 3.956 0 1 FHAF CN1CCN(c2ccc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)CC1 586887363 GHHCJAOIJUFBTH-IBOUEWTGSA-N 350.510 3.783 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1Cn1cncn1)CC2=O 587474940 IMMSGKFXYCINBP-VLIAUNLRSA-N 355.438 3.531 0 1 FHAF NNc1nc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2s1 587876512 PZMPZARXIJKAOZ-UHFFFAOYSA-N 367.365 3.379 0 1 FHAF CNc1cc(Oc2ccc(NC(=O)Nc3nccs3)c(C)c2)ncn1 1772619946 QLRVUAWHXYPDCL-UHFFFAOYSA-N 356.411 3.720 0 1 FHAF COC(=O)c1cc2occc2n1CC(=O)c1ccc(Br)cc1 1772579776 IJGZPZKAJDWBIE-UHFFFAOYSA-N 362.179 3.666 0 1 FHAF COc1cccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn12 1772627920 RJTTXXBVFHDBJK-UHFFFAOYSA-N 359.385 3.694 0 1 FHAF Nc1nnc(-c2ccc(C(F)(F)F)cc2)n1-c1cc(Cl)ccc1O 13558797 DXNXQWQRUUJIHA-UHFFFAOYSA-N 354.719 3.894 0 1 FHAF Nc1nc(N)c2c(Sc3ccc(OC4CCOCC4)cc3)cccc2n1 13743225 CBGLAWXOMZABBE-UHFFFAOYSA-N 368.462 3.503 0 1 FHAF CNC(=O)c1cc2c(Oc3ccc(-n4ccnc4)cc3)cncc2s1 13864415 LXJBCXBKCCFOCZ-UHFFFAOYSA-N 350.403 3.634 0 1 FHAF Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C[C@@]12O 14615431 AFPPVJHFFGBKOB-GTOLBJCXSA-N 372.461 3.695 0 1 FHAF endogenous,in-man COc1ccc(/C=C(C(=C/c2ccc(OC)cc2)\[N+](=O)[O-])/[N+](=O)[O-])cc1 1653368 YWCRACKPLKNGNL-JYFOCSDGSA-N 356.334 3.639 0 1 FHAF Clc1ccc(Cl)c2c1C[C@@H](N1CCN(c3ncccn3)CC1)S2 1857535272 DYUAPUGAJTXWOS-AWEZNQCLSA-N 367.305 3.580 0 1 FHAF CC(C)(CCCCCCCCCCC(C)(C)[C@@H](O)C(=O)O)[C@H](O)C(=O)O 26171028 KZIQOIQRKKXONA-IYBDPMFKSA-N 374.518 3.831 0 1 FHAF CNCc1cc(-c2ccc(F)cc2)n(S(=O)(=O)c2ccc(C)cc2)c1 115355707 SDMOMHBQHTZHJA-UHFFFAOYSA-N 358.438 3.559 0 1 FHAF COc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(OC)c3)[C@H](OC)CO2)cc1O 2356566173 WTCGOQUMVRSMDU-PAXLWEDBSA-N 374.433 3.678 0 1 FHAF COC(=O)CCC(C)=C[C@H](O)C[C@](C)(O)C=C[C@H](CCC(C)=O)C(C)C 2356617401 BPWLFOMOKYQCNL-IRFCIJBXSA-N 368.514 3.586 0 1 FHAF Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccnc2)C1 8623986 LNILOIJYAIEEIZ-TZIWHRDSSA-N 372.472 3.785 0 1 FHAF biogenic CN[C@@H]1CCN(c2nc(C(F)(F)F)nc3c2oc2ccc(Cl)cc23)C1 49073407 WBBJYCNZUHEQHO-SECBINFHSA-N 370.762 3.846 0 1 FHAF CCCC[C@@H](/C=C1/C[C@@](CO)(COC(=O)c2ccccc2C)OC1=O)CC 40423094 WFEVCGXGHAEORJ-AAURWFKWSA-N 374.477 3.973 0 1 FHAF CC(C)(C(=O)NCc1ccc(Br)cc1)[C@H](O)c1ccccc1 40893234 WPHMSBQFBIHAMN-MRXNPFEDSA-N 362.267 3.825 0 1 FHAF CN1Cc2ccc(NS(=O)(=O)c3ccc(-c4ccoc4)cc3)cc2C1 45303017 MZUZKDVEXZNIPJ-UHFFFAOYSA-N 354.431 3.693 0 1 FHAF OCc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140134352 VNXCVOQUEILDLL-UHFFFAOYSA-N 368.440 3.788 0 1 FHAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2O)O3)O1 95561584 OBECBPJJXYKUJE-HNNXBMFYSA-N 354.358 3.694 0 1 FHAF biogenic Oc1nncc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587041404 YYHYVGYRJXONHA-UHFFFAOYSA-N 361.430 3.904 0 1 FHAF O=C(O)c1cc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2cc1F 587108596 DSXMULLGDSNWKQ-UHFFFAOYSA-N 368.242 3.784 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccnc1SC 587872917 SRBMMINBIOSLOZ-UHFFFAOYSA-N 357.410 3.893 0 1 FHAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587447459 SECCVSBZIPKFOU-HTAPYJJXSA-N 366.413 3.820 0 1 FHAF COC(=O)C[C@@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587812418 ZAAUDAQVNGZPEJ-QGHHPUGFSA-N 370.262 3.681 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)C[C@@H]1C)O2 587396256 REJGTZIGIJREMI-KSFYIVLOSA-N 350.462 3.823 0 1 FHAF FC(F)(F)c1nc(Cl)[nH]c2nc(C[C@H]3OCCc4ccsc43)nc1-2 587034322 DXMMJFMCEYOBRP-SSDOTTSWSA-N 374.775 3.895 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C1)CC2=O 587475138 JRGCVNBZUPGMMH-JOCHJYFZSA-N 351.446 3.955 0 1 FHAF Cc1nc2[nH]c(-c3ccccc3/C=C\C(=O)O)nc2cc1Br 586880680 BBJFKZXCKIEOLA-SREVYHEPSA-N 358.195 3.794 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cccc1O 587607278 HGFYALHWALMZNG-YLJYHZDGSA-N 350.326 3.506 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1cc(C)c(O)c(C)c1)O2 587403341 GSUADAIEQVQKRX-OAQYLSRUSA-N 369.417 3.625 0 1 FHAF COc1ccc(NS(=O)(=O)c2ccc3nc(C4CCC4)[nH]c3c2)cc1 586884526 OLIUDUSWYNXLLD-UHFFFAOYSA-N 357.435 3.640 0 1 FHAF COc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2cc1F 586948246 MAUZWXNGZFINLK-UHFFFAOYSA-N 363.414 3.528 0 1 FHAF COC(=O)c1ccc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c1OC 587196877 ZYHVQOPYLXBDKX-LBPRGKRZSA-N 353.422 3.576 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(C(F)(F)F)n1 587871038 OBSJTKHCANSWDF-UHFFFAOYSA-N 352.291 3.886 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCN(C3CC3)C1)N(Cc1ccc(F)cc1)CC2 963304737 VITREGFXLOEQFR-QHCPKHFHSA-N 366.480 3.956 0 1 FHAF COc1ccc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)cc1CO 963120508 JCEFPMVXNAKFDM-GOSISDBHSA-N 352.261 3.904 0 1 FHAF Cc1nn(C(C)C)c(C)c1[C@@H]1C[C@H]2CN(C3CCCC3)C(=O)[C@]23CCCN13 12091026 VAAOTFNCXKTTSR-JLMWRMLUSA-N 370.541 3.761 0 1 FHAF C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 169354200 QITUJUVRRULAQB-LLBVYWAGSA-N 373.456 3.803 0 1 FHAF CC1=NC(=O)N[C@H](c2ccc(O)cc2)[C@@H]1C(=O)OC1CCCCCCC1 169687886 MRFXDWPEGGXWFA-QZTJIDSGSA-N 358.438 3.890 0 1 FHAF O=C(Nc1cccc2c1C[C@@H](O)CC2)N[C@H]1CC[C@@H](c2ccccc2)C1 169705002 VDZTXFMUUMHYNW-QYZOEREBSA-N 350.462 3.994 0 1 FHAF Cc1cn(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc12 1857534620 LSOLDNQAQRHMKA-UHFFFAOYSA-N 360.479 3.677 0 1 FHAF COC(=O)[C@@H]1C(c2ccc3occc3c2OC)=NO[C@@H]1c1ccccc1 101039519 VYBMIDHEARFESN-SJLPKXTDSA-N 351.358 3.706 0 1 FHAF CCCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccc(OC)c(OC)c1)C2 101507391 MBUKBAGZJPOJON-QZTJIDSGSA-N 360.498 3.619 0 1 FHAF O=C(O)/C(=C/c1ccc(-c2ccccc2F)o1)NC(=O)c1ccccc1 28523585 MKPUFNGFXMMNGH-ATVHPVEESA-N 351.333 3.941 0 1 FHAF O=C(O)COc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 20340629 AQQSPLITZACIIG-UHFFFAOYSA-N 354.387 3.526 0 1 FHAF CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)c2ccncc2)C=C1C 2356309391 BSTZJININODUKU-OTWHNJEPSA-N 358.482 3.619 0 1 FHAF CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 63539643 XUFLBSMTYMFOQH-UHFFFAOYSA-N 370.888 3.958 0 1 FHAF CCCCO[C@@H]1CCC[C@@H](C)OC(=O)c2c(O)cc(O)cc2CC(=O)C1 2356323083 HUNPRLTYJQUZDJ-CXAGYDPISA-N 364.438 3.514 0 1 FHAF CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1 28704203 GGAQZJOAVWSKSS-UHFFFAOYSA-N 372.534 3.860 0 1 FHAF COc1ccc2c(c1CC=C(C)CO)O[C@@H](c1ccc(O)cc1O)CC2 2356507700 ZWYKFLRPPQSGJI-HXUWFJFHSA-N 356.418 3.654 0 1 FHAF C[C@@H]1OC(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@@H]1CC[C@@H](C(=O)CO)[C@@]1(C)CC3 2356597223 ZKSNNZWTKZKEGU-WIIVOVAUSA-N 360.494 3.813 0 1 FHAF COC(=O)[C@@H]1C[C@@]23C4=NC[C@H](C)[C@@]45CC[C@@]2(C)[C@@H](CCC2=C3[C@@H]1CC2)[C@@H]5O 2356726533 XGNHYBVLNTWPIF-JIJAKRIRSA-N 369.505 3.534 0 1 FHAF CC[C@@H](C)CN1C[C@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 66129513 LZBCXHGIIMSXTK-CTRGQFNUSA-N 355.309 3.947 0 1 FHAF O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(O)cc2)CC1 1911582782 WXSKEBBSFHVDNG-UHFFFAOYSA-N 358.825 3.537 0 1 FHAF CC(C)(O)CCC[C@]1(C)CC(=O)c2cc(O)c(Br)cc2O1 13430758 QZDDHLKGAQQTLO-MRXNPFEDSA-N 357.244 3.820 0 1 FHAF biogenic CC[C@H](C)CN1CCN(c2cc(NC(=O)c3cccs3)ccn2)[C@H](C)C1 45227040 SHPAVHNYNUXNEN-JKSUJKDBSA-N 372.538 3.952 0 1 FHAF COC(=O)c1nc(Br)c2cccnc2c1OCc1ccccc1 96168498 OUKBAQRKKLAPRM-UHFFFAOYSA-N 373.206 3.758 0 1 FHAF Clc1ccc2c(NCc3cn(CCN4CCCCC4)nn3)ccnc2c1 473083766 PLPAXILOVBOTOX-UHFFFAOYSA-N 370.888 3.578 0 1 FHAF C[C@@]1(c2cc3c(cc2N)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587511192 NWNQTNZABAVWPV-NRFANRHFSA-N 351.402 3.757 0 1 FHAF COc1ccc(-c2ncc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 587394712 ZHVFEBFSCZVLRM-IBGZPJMESA-N 361.401 3.749 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc3nc(C)ccc3c2[nH]1)C(C)C 586933934 ZQFNNYXXBRGDNP-QGZVFWFLSA-N 374.510 3.836 0 1 FHAF CC(=O)OC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587379419 USNXJYCZQWVODB-LJQANCHMSA-N 359.809 3.654 0 1 FHAF COC(=O)c1cccc2nc(COc3cccc(OCC(C)C)c3)[nH]c12 587565507 CKFJFDNQBXNRGG-UHFFFAOYSA-N 354.406 3.963 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1COc1ccc(F)cc1 587570806 LXSLCCFGJQQRBV-RTBURBONSA-N 366.344 3.941 0 1 FHAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(C(N)=O)cc4[nH]3)c2)c1 587932173 PCMRSOBHVZJWGO-UHFFFAOYSA-N 359.385 3.710 0 1 FHAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(O)nc(=N)[nH]c2[nH]1 587074121 QOTJYUSSXIRJFZ-UHFFFAOYSA-N 351.797 3.767 0 1 FHAF Nc1cc(F)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1N 587136791 VYRHFYXZXTULEE-UHFFFAOYSA-N 361.249 3.583 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccccc3C2=O)N1 587818621 RNEYPRMUGDFVBB-MLCYQJTMSA-N 360.226 3.757 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(C(OC)OC)c1F)[C@@H](C2)C3=O 587426155 LVFDUIRXTOGOKF-LIRRHRJNSA-N 358.365 3.614 0 1 FHAF C[C@H](O)[C@@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587847255 JYQGWHPELNSSGC-KCWFYHRYSA-N 370.287 3.808 0 1 FHAF CCn1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587763556 KALXVPDXZIPQJJ-QLJPJBMISA-N 352.251 3.602 0 1 FHAF O=C(O)[C@@H]1CC[C@H](C[C@]2(c3ccc(F)cc3)NCCc3ccc(O)cc32)C1 963329336 MBLPHXKJKUMXLM-GZWGPKMKSA-N 369.436 3.812 0 1 FHAF COc1cccc2c1CCN(Cc1ccc([C@H](C)NC(=O)C3CC3)cc1)C2 1772576198 VHWWLKYEIRKRHH-INIZCTEOSA-N 364.489 3.841 0 1 FHAF CC(C)OC(=O)[C@H]1C[C@H](O)[C@@]2(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]12 13518488 DZHVLQYMBZETLE-DOEDBZELSA-N 358.478 3.787 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@]1(F)COc2ncccc21 205613857 UPYNKNFIYBQHDQ-INIZCTEOSA-N 355.196 3.570 0 1 FHAF OC12C[C@@H]3CC(C[C@H](C3)C1)N2CCNc1ccnc2cc(Cl)ccc12 1857642924 MMFHVHSAUQFVIA-YHLAAPATSA-N 357.885 3.883 0 1 FHAF CC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NC(=O)Cc2ccccn2)C1 20906278 NLBFKISCPOUHFA-INIZCTEOSA-N 352.482 3.542 0 1 FHAF CC(=O)O[C@H]1C[C@]2(C)CC(=O)CC[C@H]2[C@](C)(CCC2=CCOC2=O)[C@H]1C 34095601 QDTUSVHHDVBLPZ-FUESZREHSA-N 362.466 3.603 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C/C=C/CF 34008154 LMVDJMCDHZLBFE-MBHMRJJTSA-N 351.849 3.975 0 1 FHAF c1ccc2nc(N3CC(c4nccnc4N4C[C@H]5CCC[C@H]5C4)C3)ccc2c1 139363405 HHZVYIJDUWINPD-HDICACEKSA-N 371.488 3.865 0 1 FHAF COC(=O)c1ccc(CC[C@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 45231187 YVTGNCFOBBVCIR-IFXJQAMLSA-N 361.869 3.771 0 1 FHAF CCc1nc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2c1C 223416647 ALVCBZKUFZQTBZ-UHFFFAOYSA-N 359.429 3.935 0 1 FHAF NC(=O)c1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccccn3)n2)cc1 43072225 PWUOIUVSQWEZHV-UHFFFAOYSA-N 358.376 3.839 0 1 FHAF COc1cccc(OC)c1-c1cnnc(N[C@@H](C)c2nc(C)c(C)s2)n1 95581091 YCEJJVVFPCHCCZ-NSHDSACASA-N 371.466 3.802 0 1 FHAF Nc1cc(-c2cccnc2Nc2cccc3[nH]ncc23)nc(C(F)(F)F)n1 95553986 CNVZEXBATVQXBV-UHFFFAOYSA-N 371.326 3.760 0 1 FHAF O=c1oc(-c2cc(Cl)ccc2O)nn1-c1ccc(C(F)(F)F)cc1 96902233 AJCSNOSWPBAMCW-UHFFFAOYSA-N 356.687 3.870 0 1 FHAF Cc1ccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)cc1 140119579 SQXWMXUPJYJLNN-UHFFFAOYSA-N 353.429 3.999 0 1 FHAF Cc1nn(C(C)(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565102 GXXAARCZUCJHQV-UHFFFAOYSA-N 351.853 3.906 0 1 FHAF O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsn3)c2C1 2382216408 YTSQQYPZBYQRLO-UHFFFAOYSA-N 359.842 3.777 0 1 FHAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 587191627 NRSYTVAPZIDQJE-ZDUSSCGKSA-N 373.844 3.914 0 1 FHAF O=S(=O)(O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023734 GDOQYXCWCXOVRN-UHFFFAOYSA-N 363.445 3.662 0 1 FHAF C=Cn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587767339 YEADJSAOVGBWAX-XXFAHNHDSA-N 350.235 3.817 0 1 FHAF Clc1cnn(COc2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)c1 587082598 SXMWKZVZSPPSJV-UHFFFAOYSA-N 361.192 3.560 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccnc1C(C)C 587868982 ZFNDKAKJPZORMM-UHFFFAOYSA-N 363.343 3.875 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cncc2F)N1 587729753 HOHYMMIRSVCANY-MLXNANBUSA-N 357.173 3.885 0 1 FHAF COC(=O)c1cccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c12 587950572 MURKLKPOXOTQLF-RKOMNEFPSA-N 368.433 3.503 0 1 FHAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1O 587423191 TWGZURSUYHWBCY-BLVKFPJESA-N 360.793 3.942 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCN(C)C2)N1 587762876 UXTJIIZETUFJCA-NDGTYSDOSA-N 355.295 3.679 0 1 FHAF C[C@H](c1nc2cc[nH]c(=N)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129706 ZSKIDOCEPNQUPP-SCSAIBSYSA-N 362.718 3.705 0 1 FHAF CCOC(=O)c1scnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536173 SXYNSDHPZWJKOE-HNNXBMFYSA-N 357.431 3.905 0 1 FHAF C[C@]1(c2ccnc(Cl)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553889 WKUOGGMZXFXDPF-HNAYVOBHSA-N 368.776 3.713 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1 587108593 DKYYMNWASALMMV-ZDUSSCGKSA-N 364.283 3.671 0 1 FHAF CCOC(=O)[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800242 WGXLRZSYWRJJAR-MGPLVRAMSA-N 358.251 3.537 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCN(C)C)cc1)O2 587387179 NUZYVIDSWVLFRR-FQEVSTJZSA-N 354.450 3.614 0 1 FHAF COc1ccc(/C=C\Cc2nc3c(Br)ccnc3[nH]2)c(OC)c1 587929351 NWPSQYXOGLITIH-ARJAWSKDSA-N 374.238 3.994 0 1 FHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1nc(-c2ccccc2)no1 587651210 NMBDOAJJJQJGGC-UHFFFAOYSA-N 353.403 3.597 0 1 FHAF Cc1ccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)cc1C 587650811 UEDLTWFQVJRWFN-UHFFFAOYSA-N 356.447 3.749 0 1 FHAF C[C@]1(Cc2ccc(Br)cc2F)NCCc2ccc(O)cc21 963351584 GXWVJSQLDHODOA-QGZVFWFLSA-N 350.231 3.897 0 1 FHAF Cc1nc(-c2cccc3ccccc23)sc1C(=O)N1CCN(C)CC1 1772613483 VSAPOZMERHDMFC-UHFFFAOYSA-N 351.475 3.659 0 1 FHAF COC(=O)c1cccc(Oc2ncccc2C(=O)NCc2ccccc2)c1 13860719 UPDCLFUWDJXXLO-UHFFFAOYSA-N 362.385 3.591 0 1 FHAF O=C(Cn1sc2ccccc2c1=O)Nc1ccc(-c2ccccn2)cc1 169311140 QLVAHCHYICCOMF-UHFFFAOYSA-N 361.426 3.764 0 1 FHAF CCc1cccc2c1[C@H](N=O)C(=O)N2Cc1cc(F)cc2c1OCOC2 169722210 YNAKNLXNQMTXCI-KRWDZBQOSA-N 356.353 3.609 0 1 FHAF C[C@H]1CN(C(=O)c2cccc(C#N)c2)Cc2cc(COc3ccccc3)nn21 168080028 OIQCUBIJVNLQOQ-INIZCTEOSA-N 372.428 3.551 0 1 FHAF COc1cccc(NC(=O)C[C@]2(C)N=C(c3cccc(Cl)c3)N(C)O2)c1 205208682 XNZITLKKNVJGQI-LJQANCHMSA-N 373.840 3.717 0 3 FHAF COc1ccc(-c2cnc3[nH]cc(NC(=O)c4ccncc4)c3c2)cc1OC 1857577300 IZGIDJOQCSRNED-UHFFFAOYSA-N 374.400 3.894 0 1 FHAF CCCCNC(=O)c1c(NC(=O)c2cccc(F)c2)nc2ccc(C)cn12 1857608954 IEZZPLZZFJFZLO-UHFFFAOYSA-N 368.412 3.564 0 1 FHAF COc1cc(C(=O)c2cnn(-c3cccc(Cl)c3)c2)cc(OC)c1OC 1857764142 GCPIRAPJALHEMR-UHFFFAOYSA-N 372.808 3.783 0 1 FHAF Cc1noc(NS(=O)(=O)c2ccccc2-c2cccc(N(C)C)c2)c1C 833987 IRGOLZQDQJNOFK-UHFFFAOYSA-N 371.462 3.825 0 1 FHAF COc1ccc(Sc2ncnc3cc(OC)c(OC)cc23)cc1OC 27424379 SZTVCYCQIWQZCI-UHFFFAOYSA-N 358.419 3.815 0 1 FHAF CN1[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1[C@@H](O)C2 101038315 NRKFYDQWSIYFGJ-WCIQWLHISA-N 359.416 3.667 0 1 FHAF CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1N1CCCC1 27899127 MGFYCLMWDMGUQD-QZTJIDSGSA-N 350.890 3.584 0 1 FHAF O=S1N=C(Nc2cc(Cl)cc(Cl)c2)C(NC2CCCCC2)=N1 26269191 RVNAIMGPZHLZBM-UHFFFAOYSA-N 359.282 3.717 0 1 FHAF Cc1n[nH]c(-c2c(C)csc2NC(=O)Cc2cccc3ncccc23)n1 66079870 YPUXXNJBUOZMOQ-UHFFFAOYSA-N 363.446 3.879 0 1 FHAF COc1cc([C@@H]2CN=C(c3ccc4cc[nH]c4c3)O2)cc(OC)c1OC 27523824 FRAHVLZDMGVBCM-SFHVURJKSA-N 352.390 3.712 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1Oc3ccc4[nH]c(C)cc4c3CN1CC2 29569748 KPZUVZJSQLBQHD-NRFANRHFSA-N 350.418 3.943 0 1 FHAF CC[C@@H]1C(=O)C[C@H]2CCN(C(=O)c3ccc(OC)cc3)[C@H]3CCC[C@@H]1[C@@H]32 211060637 IJMMHVOMUYNKBM-KQGMHSTHSA-N 355.478 3.941 0 3 FHAF COc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2cc1O)C(=O)OC3 14726767 ILDXUUAZBUVRDX-UHFFFAOYSA-N 350.326 3.620 0 1 FHAF biogenic Fc1ccc([C@H]2NC(N3CCOCC3)=NC3=C2CCc2ccccc23)cc1 45254932 OZNDKOIZAIPFGG-HXUWFJFHSA-N 363.436 3.516 0 1 FHAF COc1ccc2c(c1)C(=O)c1c-2c(NCCCN(C)C)nc2ccccc12 84758425 JABMALRNMHHOAJ-UHFFFAOYSA-N 361.445 3.818 0 1 FHAF COc1ccc(C(=O)Cn2c3c(sc2=N)C[C@H]2CCCC[C@H]2C3)cc1 137158775 YNEUZJLJVACODT-LSDHHAIUSA-N 356.491 3.826 0 1 FHAF CC(C)Cc1nc2c(NCc3cccs3)ncnc2n1C[C@@H]1CCCO1 82178051 OJARZMOXQXEOGW-AWEZNQCLSA-N 371.510 3.877 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CC(=O)N[C@@H]1COc2cncc(C)c21 146644787 ISXKLUAWPBEDMB-CQSZACIVSA-N 351.233 3.798 0 1 FHAF C[C@H]1CN(Cc2cccn2-c2ncccn2)Cc2cc(Cl)ccc2O1 95603399 SHSRWVVSSGQIIA-AWEZNQCLSA-N 354.841 3.704 0 1 FHAF CC(C)N(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccccn1 95555419 WHQXEGKAFBEKSG-UHFFFAOYSA-N 372.490 3.865 0 1 FHAF COC(=O)C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593685 MTGSHDJOXXSRSB-DYESRHJHSA-N 370.401 3.702 0 1 FHAF CCCn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578583 ARUMSJNOEPHEMU-XLIONFOSSA-N 350.374 3.702 0 1 FHAF COC(=O)[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504487 KETDEDLVVILPLR-OAQYLSRUSA-N 372.367 3.877 0 1 FHAF COc1cccc(OCc2ccc(-c3nc4cc(N)c(N)cc4[nH]3)cc2)c1 587781418 UXSUSNUIVLOREW-UHFFFAOYSA-N 360.417 3.982 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(F)c1 587567505 AZKLFVPVEJUWMA-XLIONFOSSA-N 352.317 3.940 0 1 FHAF CN1CCC(n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1 587656268 ILBGANWZXATDEL-UHFFFAOYSA-N 355.388 3.608 0 1 FHAF CCc1ccc([C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587446635 CTIBNCHVZLYOFO-VGOFRKELSA-N 366.413 3.765 0 1 FHAF Cc1nccn1CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587753860 KAWABWSUZOJCFH-PIGZYNQJSA-N 366.278 3.933 0 1 FHAF FC(F)(F)Oc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br 586912010 NZKQZQNQJVLHSC-ZCFIWIBFSA-N 351.122 3.728 0 1 FHAF CN(C)CCCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569248 FYFNBPKFBJUXGG-WIYYLYMNSA-N 355.434 3.844 0 1 FHAF Cc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587590867 ZQZRQFZZCLJYDC-WIYYLYMNSA-N 362.385 3.676 0 1 FHAF CCOC(=O)[C@H]1c2nc3ccc(O)c4c3c(c2C[C@@H]1C)-c1ccccc1C4=O 586989609 MGOQHOIYIMKEMZ-APPDUMDISA-N 373.408 3.991 0 1 FHAF CN1[C@H]2CC[C@H]1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335118 GRPDSKDPKCWSFI-CNWYBHPASA-N 367.420 3.886 0 1 FHAF O=C1[C@@H](N2CCC[C@@H](c3ccc(O)cc3)C2)CCN1Cc1ccc(F)cc1 1772608952 CVKSVTHKTSNIGJ-NQIIRXRSSA-N 368.452 3.512 0 1 FHAF O=C1[C@@H]2C=CC=C[C@H]2[C@H](c2ccc3c(c2)OCO3)N1c1ccc2nc[nH]c2c1 1772652135 UHULLJMZEXMKEN-ZOCZFRKYSA-N 371.396 3.738 0 1 FHAF CS(=O)(=O)c1ccc(C(=O)CC2CCN(Cc3ccccc3)CC2)cc1 13729906 ZFNICZSXJSDSLP-UHFFFAOYSA-N 371.502 3.575 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(C)c1 169723942 VGSUAGXLTLOJBS-FUHWJXTLSA-N 357.450 3.958 0 1 FHAF Nc1nc(Cl)cc(NCC2(CO)CC(CCCCc3ccccc3)C2)n1 1654598 ZWBCGNQLJXYUEO-UHFFFAOYSA-N 374.916 3.926 0 1 FHAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccccc1 13446269 LZMJPLNFPWMYJE-SFHVURJKSA-N 373.493 3.549 0 1 FHAF O=C(O)CCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 13864228 VHNSXDCQMLZOCL-UHFFFAOYSA-N 354.358 3.799 0 1 FHAF COC(=O)[C@@]1(CCc2ccoc2)[C@H]2CC(=O)C=C(C)[C@@]2(C=O)CC[C@H]1C 15159545 IVIOCNUIBXTJCP-BLEKSLEDSA-N 358.434 3.522 0 1 FHAF biogenic CC(=O)c1[nH]c(C)c(-c2nc([C@@]3(c4ccc(F)cc4)CCOC3)no2)c1C 20999666 QLJWPARNJANXMN-FQEVSTJZSA-N 369.396 3.730 0 1 FHAF O=C(O)COc1cccc2c1CC[C@@H](C/C=C/[C@H](O)Cc1ccccc1)C2 26011028 ZHYVXDSUFDWWIN-OLBNYNTESA-N 366.457 3.805 0 1 FHAF CC[C@H](NC(C)=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 28011600 VPDLPOGVAQMHTH-QFIPXVFZSA-N 351.494 3.596 0 1 FHAF O=C(Nc1ccc(F)cc1)N1CCN(Cc2ccc3ccccc3n2)CC1 34635035 QDNSBKHJRLPXBF-UHFFFAOYSA-N 364.424 3.724 0 1 FHAF CC1(C)Cc2nc(N3CCOc4ccc(C5CC5)cc43)sc2C(=O)N1 40395371 GXKCHXAPRAOLLG-UHFFFAOYSA-N 355.463 3.616 0 1 FHAF CS(=O)(=O)c1ccc(-c2nc3ccccn3c2Nc2ccccn2)cc1 40877044 NKZWFGWUGRTESM-UHFFFAOYSA-N 364.430 3.543 0 1 FHAF COc1cccc(CNC(=O)c2nc3cc(-c4cc[nH]n4)ccc3s2)c1 73195593 ZUORJMYVIBRGPQ-UHFFFAOYSA-N 364.430 3.625 0 1 FHAF CC1CCN(c2ncc(C(=O)NCC3CC3)c(-c3ccc(F)cc3)n2)CC1 82139851 AIGBHLVYQCCIGM-UHFFFAOYSA-N 368.456 3.659 0 1 FHAF CC(C)CN1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)CC1 95552164 HQTDMSVGXLSYNF-JOCHJYFZSA-N 350.506 3.813 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1CCC2 141717113 LUYGHURNISJMBZ-UHFFFAOYSA-N 358.459 3.950 0 1 FHAF N#C[C@@H](c1ccnc(OCc2ccccn2)n1)c1nc2ccccc2s1 142235021 JGHBCDVGNOLSCY-AWEZNQCLSA-N 359.414 3.716 0 1 FHAF NC(=O)[C@H](N)Cc1c[nH]c2cc(-c3ccc(Oc4ccccc4)cc3)ccc12 146927861 KEOBCIPCYYWVHT-OAQYLSRUSA-N 371.440 3.982 0 1 FHAF C[C@@H](Cn1c(O)cc(=O)n([C@@H]2C[C@@H]3CC[C@@H]2C3)c1=O)c1ccc(Cl)cc1 169729792 QDBPUNLJMKEAQD-TZDHZFECSA-N 374.868 3.534 0 1 FHAF N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)c2ccccc2[C@@H]1c1cc(F)ccc1F 208089695 SYLWVEJLFFJUCN-CEWLAPEOSA-N 366.415 3.608 0 1 FHAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC[C@]5(CCOC5)C4)c23)c1 210710023 RZRWSNMIDNLNTM-NRFANRHFSA-N 359.433 3.503 0 1 FHAF C/C=C(\COC(C)=O)C(=O)O[C@H](C)c1ccc2c(c1)C(=O)CC(C)(C)O2 238789011 JDGHCZZJPFSXSA-CHJAJTDHSA-N 360.406 3.544 0 1 FHAF O=C(OCCCF)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(Br)cc1)N2 261099821 GBXCFQBRUJWAGV-CAOSSQGBSA-N 370.262 3.576 0 1 FHAF Cc1nc2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2cc1Br 586909304 YBCIEZVHQCLUKW-VIFPVBQESA-N 360.211 3.610 0 1 FHAF Cc1nc2nc(-c3ccc4oc(=O)ccc4c3)[nH]c2cc1Br 586916613 NBYTXKMYMQVJKN-UHFFFAOYSA-N 356.179 3.802 0 1 FHAF O=Cc1cc(Br)cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 586983041 UJMIJWWQJFGXHC-UHFFFAOYSA-N 354.566 3.992 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587070022 OUXYRXSDPYNOMZ-HNNXBMFYSA-N 371.868 3.607 0 1 FHAF CC(C)C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354478 QTKYNRCLVMXQAI-FXAWDEMLSA-N 358.365 3.760 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C)C[C@@H]1n1cncn1)CC2=O 587478803 SZZIIRDQUDBVRG-YHJVDBJQSA-N 355.438 3.702 0 1 FHAF CCn1nccc1[C@@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587517906 WZKFCQAIXHYEHM-XSEIIIHRSA-N 365.477 3.718 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnccc2N(C)C)N1 587758036 WUDDGXXCNKBPRY-BMLIUANNSA-N 364.262 3.673 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2NC=Cn3cccc32)N1 587775311 ZBSDLDKKSKRMGR-LWNYNHHKSA-N 362.246 3.738 0 1 FHAF Cc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587775478 QYTWAHTTWCBOGL-BCTVWOGZSA-N 350.235 3.619 0 1 FHAF Cc1nn(C)c([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1Br 963118525 ZRAWCZFDJAAHRT-BBRMVZONSA-N 364.262 3.740 0 1 FHAF COc1cc(-c2c(-c3ccc(O)cc3)cnn2C(C)=O)cc(OC)c1OC 1857542686 QECOAZOMPDHQHP-UHFFFAOYSA-N 368.389 3.609 0 1 FHAF CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 2663896 XFJHEHPHORXYCO-VQTJNVASSA-N 350.462 3.635 0 3 FHAF Cc1nc2ccccc2c2oc(C(=O)NCCN3CCCC[C@@H]3C)cc12 4902792 UTJCXGBYVFOGTA-AWEZNQCLSA-N 351.450 3.894 0 3 FHAF O=C1c2c(O)cccc2C(C(=O)CCc2ccccc2)c2cccc(O)c21 600368 LMVOEPVFPJXPBF-UHFFFAOYSA-N 358.393 3.976 0 1 FHAF O=C(Nc1ccc(F)cc1)c1cccc2c1C(=O)N(Cc1cccnc1)C2 4920067 SYXNMGLZEKYDKV-UHFFFAOYSA-N 361.376 3.629 0 1 FHAF COc1ccc(OC)c(-c2nc(CN(C)[C@H](C)c3ccncn3)c(C)o2)c1 55042272 CRVAAOXUTHLZLB-CYBMUJFWSA-N 368.437 3.650 0 3 FHAF O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccs2)[C@@H]1C(=O)c1cccs1 100275967 NEENZGLTVOMNJO-CABCVRRESA-N 371.439 3.554 0 1 FHAF CCCn1c(=N)n(C[C@@H](O)c2ccc(Br)cc2)c2ccccc21 103217937 UXXDYTSWIXXMPH-QGZVFWFLSA-N 374.282 3.828 0 1 FHAF Cc1ccccc1OC(=O)C[C@@H]1C=NN2c3cc(Cl)ccc3[N+]([O-])=N[C@@H]12 27649774 HBHPMBBEMKFGNY-KZULUSFZSA-N 370.796 4.000 0 1 FHAF COc1ccccc1N1CCN(CCCOc2cc(C)ccc2C)CC1 61803493 YQFKGNJRWQYUBU-UHFFFAOYSA-N 354.494 3.903 0 1 FHAF Cc1ccccc1OC(=O)C[C@H]1C=NN2c3cc(Cl)ccc3[N+]([O-])=N[C@H]12 27649769 HBHPMBBEMKFGNY-SGTLLEGYSA-N 370.796 4.000 0 1 FHAF COc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(OC)cc2)cc1 66074815 NYHUNUXCWYCUNU-FGZHOGPDSA-N 354.494 3.894 0 1 FHAF COc1ccccc1N1CCN(CCCOc2c(C)cccc2C)CC1 199917428 SVPBRNHKKDLPOM-UHFFFAOYSA-N 354.494 3.903 0 1 FHAF O=NC=C1C=CN(COCCCCOCN2C=CC(=CN=O)C=C2)C=C1 137892926 OEQKTENYDBDYOE-UHFFFAOYSA-N 358.398 3.701 0 1 FHAF O=C1C[C@@H](Sc2ccc(F)cc2F)N1C(=O)Nc1ccccc1F 299868614 RXGNHTIYBJVWQK-OAHLLOKOSA-N 352.337 3.987 0 1 FHAF CSc1cnc2n1C[C@](C)(COc1ccc(OC(F)(F)F)cc1)O2 653743769 OADMXBRANBPWPC-CQSZACIVSA-N 360.357 3.734 0 1 FHAF CCn1cc(C(=O)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 653825283 VJDBAEREMWDLIU-UHFFFAOYSA-N 359.429 3.684 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](O)C2(C)C)N1 587821856 KDUXGZXRZGEZNU-SIMVJXQJSA-N 356.279 3.889 0 1 FHAF Cc1c(Br)cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2c1C 587248065 BMZHPUSNXJWATG-UHFFFAOYSA-N 360.211 3.890 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc2ccccc2n1 587868944 XKRIRPMPWNKREK-UHFFFAOYSA-N 371.322 3.905 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C=O)n(C)c2)N1 587752045 PSFVDXWGESRRNV-BTDLBPIBSA-N 365.246 3.537 0 1 FHAF CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)[nH]c2cccc(F)c12 587636756 HOBLZTKAPLJGET-UHFFFAOYSA-N 362.401 3.818 0 1 FHAF C[C@@]1(c2ccncc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573134 XVEBPSITCBHBBC-XLIONFOSSA-N 351.333 3.803 0 1 FHAF COC(=O)CC[C@@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440639 AEYNFRFCUZBLBG-VGSWGCGISA-N 366.413 3.600 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4cc(C(=O)O)ccc14)[C@@H](C2)C3=O 587438976 SHENMCNVELEPIS-QKKBWIMNSA-N 363.369 3.538 0 1 FHAF COC(=O)c1cccc2nc(CCCNc3cc(C)ccc3OC)[nH]c12 587228349 BMOBSLMRJNMUDS-UHFFFAOYSA-N 353.422 3.711 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(F)c1O)O2 587381288 GKOMDWAHBKNRPS-CYBMUJFWSA-N 366.186 3.891 0 1 FHAF COC(=O)[C@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354840 VYNCJQUPYZGSOI-FPSMJMQUSA-N 370.376 3.602 0 1 FHAF CCOC(=O)[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794157 GBMZXAMLICUUJT-PUTJDCORSA-N 358.251 3.537 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3cc(-c4ccc(F)cc4)n(C)c3C)nc12 587165957 IWHCFTWTZAXIRF-UHFFFAOYSA-N 364.380 3.865 0 1 FHAF Cc1cc(OCC(F)(F)F)cc(C[S@@](=O)c2nc3ccccc3[nH]2)n1 71789443 VTTMKCKNXNGZDV-VWLOTQADSA-N 369.368 3.515 0 1 FHAF Cc1ccc(-c2ccccc2[C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)o1 963494208 YJSILVASWSTULP-LAUBAEHRSA-N 363.413 3.957 0 1 FHAF COc1ccc(F)c([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2OC)c1 1772577294 MVTQJLVXODOUEE-GFCCVEGCSA-N 369.396 3.724 0 1 FHAF Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2C(=O)O)cc1 1772647632 YFDABTUGWQEMTC-UHFFFAOYSA-N 359.325 3.513 0 1 FHAF CN(c1cncnc1)c1cc(C(=O)Nc2cccc(Cl)n2)ccc1F 166471138 REEDXIZQVOCVDO-UHFFFAOYSA-N 357.776 3.684 0 1 FHAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2cccc(Cl)c2)cc1OC 203675824 XFFOAZVEEKHYGR-DOTOQJQBSA-N 360.837 3.932 0 1 FHAF O=C(NCc1ccc2[nH]ccc2c1)c1ccn(Cc2ccc(F)c(F)c2)n1 1857639992 SSRPOOGNOBDKBD-UHFFFAOYSA-N 366.371 3.621 0 1 FHAF Cc1nnc2sc(C(=O)N3C[C@H](c4ccccc4)[C@@H]3C)c(N)c2c1C 1857753795 BLGSHGFWEVNFQT-JSGCOSHPSA-N 352.463 3.518 0 1 FHAF CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1C[C@H](C)C[C@@H](C)C1 6797144 XIQWHFLGGWAWRD-VXGBXAGGSA-N 352.887 3.791 0 1 FHAF COc1cccc2c1CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117412974 IGHSTADROFWTPQ-UZLBHIALSA-N 361.445 3.906 0 1 FHAF C[C@@H]1OC(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@@H]1CC[C@H](C(=O)CO)[C@@]1(C)CC3 2356597222 ZKSNNZWTKZKEGU-PQRQZJRWSA-N 360.494 3.813 0 1 FHAF CCCCC(=O)N(Cc1ccco1)[C@@H](CC)C(=O)NCc1ccccc1 2356863134 VDTYDDBXWCYUBR-IBGZPJMESA-N 356.466 3.893 0 1 FHAF CCCN1CCN(c2nccc(NCc3cccc4ccccc34)n2)CC1 72123155 XCJNYXHURPREPK-UHFFFAOYSA-N 361.493 3.774 0 1 FHAF COc1ccc(-c2cc3cc(C=O)cc(C)c3oc2=O)c(OC)c1OC 71317004 RMDCKXZGTNFAOK-UHFFFAOYSA-N 354.358 3.607 0 1 FHAF CO[C@@H]1[C@H](OC)c2c(O)cccc2C2=C3CCC(=O)c4c(O)ccc(c43)[C@H]21 14724648 DROORLDPDTXWFN-FCEUIQTBSA-N 364.397 3.798 0 1 FHAF biogenic Cc1cc(Cl)cc2c([C@H](O)c3ccnc(F)c3)c3c(C)n[nH]c3nc12 82155065 AVRCXDPCPXUSED-QGZVFWFLSA-N 356.788 3.997 0 1 FHAF CN(C(=O)c1cnc(N2CCCC2)nc1-c1ccco1)C1CCCCC1 82142424 PUBCEYLHDIAVHL-UHFFFAOYSA-N 354.454 3.742 0 1 FHAF CCO[C@@H](Cc1cccc(C2=NO[C@@H](c3ccc(F)cc3)C2)c1)C(=O)O 40937590 SHEXHMGVCDIUNB-MOPGFXCFSA-N 357.381 3.724 0 1 FHAF CN1C(=O)N(c2ccc(C#Cc3cc(F)ccc3F)cn2)CCC1(C)C 144441924 QRDLZBLGRAZEKJ-UHFFFAOYSA-N 355.388 3.800 0 1 FHAF O=C1OCC(OCCOC(=O)c2ccc3ccccc3c2)=C1c1ccccc1 96914273 KGWCRXRYXVZOJG-UHFFFAOYSA-N 374.392 3.981 0 1 FHAF Brc1cncc(-c2nnc(/C=C/c3ccc4c(c3)OCO4)o2)c1 96284410 LMSFCHFDQRMMOL-DUXPYHPUSA-N 372.178 3.793 0 1 FHAF CCCCNc1ncc(-c2ccc(F)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 261109229 HTOALBYXWRQRAR-SHTZXODSSA-N 359.449 3.605 0 1 FHAF O=C(c1cccc(F)c1)N1CCCn2nc(COc3ccccc3)cc21 473152339 SXHQNAYNRIKCLU-UHFFFAOYSA-N 351.381 3.652 0 1 FHAF Cc1c2c(n3c1CCOc1cc(C(N)=O)c(Cl)cc1-3)CC(C)(C)CC2=O 299865638 OAURDSXLNBKZDU-UHFFFAOYSA-N 372.852 3.628 0 1 FHAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299878975 KALISVBWZTZWPV-NXWXRZEISA-N 362.470 3.713 0 1 FHAF O=C(c1nc2cc(Cl)ccc2s1)N1CCN(c2ccccc2)CC1 653846192 DYMXMGLDICYXEG-UHFFFAOYSA-N 357.866 3.912 0 1 FHAF CCCCOC(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790784 GOGHVXFMCKFSJD-MGPLVRAMSA-N 358.251 3.681 0 1 FHAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1F 587568596 HRULKRPJGCMUEL-VQIMIIECSA-N 351.333 3.938 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(C3OCCO3)s1)CC2=O 587493279 CZTOIZAREBLPMM-AWEZNQCLSA-N 361.419 3.553 0 1 FHAF CCOC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1 587514847 KJRYNMBUQFJPAW-IBGZPJMESA-N 351.402 3.844 0 1 FHAF Cc1nc2[nH]c(-c3ccccc3/C=C/C(=O)O)nc2cc1Br 586880687 BBJFKZXCKIEOLA-VOTSOKGWSA-N 358.195 3.794 0 1 FHAF CN(C)CCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331251 ARULAZUOPWZGLS-CTNGQTDRSA-N 357.425 3.991 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(C(F)F)n2)N1 587713044 BUZCNZOESFDWSA-WPPNPWJKSA-N 360.177 3.803 0 1 FHAF N=c1[nH]cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc-2[nH]1 587159619 RAKFVWLLPMPFCQ-OAHLLOKOSA-N 369.787 3.678 0 1 FHAF CCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587391092 RXCBDGILTGXBJJ-RNODOKPDSA-N 362.470 3.995 0 1 FHAF Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc(C)n1 587657424 WJXUAKXWYAVAHS-UHFFFAOYSA-N 364.355 3.738 0 1 FHAF C=CN1CC[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1=O 586988175 MPTYXUAVZCVKKN-AWEZNQCLSA-N 356.381 3.611 0 1 FHAF CC[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430348 GVNRIYIGFZQZRI-ZHRRBRCNSA-N 363.413 3.945 0 1 FHAF OCCc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120641 RGOVJIKTPSAXOB-UHFFFAOYSA-N 364.249 3.525 0 1 FHAF Cc1cc(Br)cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c12 587249007 FCMDYIRAXKOCSR-UHFFFAOYSA-N 360.211 3.505 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@H]1CN3C(=O)OC(C)(C)C)O2 587398065 DUWVIUOVBHJEKT-DGCWBMGLSA-N 372.465 3.701 0 1 FHAF CCc1ccc2[nH]c(-c3ccc(S(=O)(=O)N[C@@H](C)CC)cc3)nc2c1 586937493 FOLGNOVPQYFXDX-ZDUSSCGKSA-N 357.479 3.869 0 1 FHAF Nc1ccc2oc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2c1 587252472 WTLSBAJXTNECME-UHFFFAOYSA-N 372.388 3.618 0 1 FHAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CC(=O)NC[C@H]41)-c1ccccc1C2=O 587096270 ILEBPFUDORGULR-WBMJQRKESA-N 354.409 3.530 0 1 FHAF Nc1c(F)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1F 587134825 NSSPUFWLNVYTLJ-UHFFFAOYSA-N 359.561 3.901 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1F 587555186 FULWODBWOVRBIB-FXAWDEMLSA-N 352.317 3.940 0 1 FHAF CCOC(=O)C[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587516286 VIQBTOWVOJBBEB-QFIPXVFZSA-N 365.429 3.774 0 1 FHAF COc1ccc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(OC)nc2c1 587394869 KVWWJDAXCMFUGJ-IBGZPJMESA-N 364.401 3.849 0 1 FHAF CC(=O)c1cc(N)cc([C@]2(C)c3cccc(Br)c3CCN2C)c1 963278430 BCLKSFSTHBZAFP-LJQANCHMSA-N 373.294 3.985 0 1 FHAF CCn1cc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)n1 962713670 SMAXWBZZRKBEJZ-YWZLYKJASA-N 359.514 3.978 0 1 FHAF Cc1ccc2c([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c[nH]c2n1 962759682 CRJWUFFFAVNWHM-HOTGVXAUSA-N 359.351 3.606 0 1 FHAF Cc1cccc2c1[C@@]1(C(=O)N2)c2ccsc2CCN1Cc1cccn1C 962376132 UARXJIAVAVBBSU-OAQYLSRUSA-N 363.486 3.649 0 1 FHAF Cc1cccc(C)c1-c1cccc(OCn2cc(CCC(=O)O)nn2)c1 1772637190 DAQGHPCFKCWNJE-UHFFFAOYSA-N 351.406 3.616 0 1 FHAF COc1ccc([C@@H]2Cc3ccccc3N(CCN(C)C)C(=O)[C@@H]2C)cc1 13450641 JZAAQYRBEZYMNY-OXQOHEQNSA-N 352.478 3.566 0 1 FHAF CCCCC(C)(C)[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCOCC(=O)O 169316659 CVWUEAVZYKFDAH-UDPCZSIHSA-N 368.514 3.987 0 1 FHAF COc1cc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1 169347549 YZGFCOICQDTBTL-CMDGGOBGSA-N 364.445 3.797 0 1 FHAF COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(Cl)c(O)c2)n1 206762413 BFNCNWIKJXRJMF-UHFFFAOYSA-N 374.803 3.700 0 1 FHAF Cc1occc1COc1ccc(Cc2cc(-c3cccnc3N)on2)cn1 1857543324 NVQFBTKJCWCJJX-UHFFFAOYSA-N 362.389 3.785 0 1 FHAF COc1ccc(C(=O)n2nc(-c3ccncc3)c(-c3ccc(F)cc3)n2)cc1 13489713 SQJUIHIHAXILEI-UHFFFAOYSA-N 374.375 3.843 0 1 FHAF O=c1[nH]c(Nc2cccc(C(Cl)=C(Cl)Cl)c2)nc2[nH]cnc12 13740074 KBBVZLCYVDAZBG-UHFFFAOYSA-N 356.600 3.732 0 1 FHAF Cc1cccc(CN2CC[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C2)c1 22940535 AOZCHKRVWHUCEP-DNQXCXABSA-N 364.533 3.810 0 1 FHAF NCC(=O)Nc1ccc(Cl)cc1C(=O)c1c(Cl)cccc1Cl 25997201 DQDLJDCSJFQOHI-UHFFFAOYSA-N 357.624 3.775 0 1 FHAF C[C@@H](O)CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28098776 IWUPUFYAMCDDIO-UPKQVVFYSA-N 372.459 3.540 0 1 FHAF NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 28825755 PYDXVLHZFREGOX-UHFFFAOYSA-N 357.457 3.851 0 1 FHAF C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 40423574 BETCEOCHSYZOAW-FUHWJXTLSA-N 372.896 3.888 0 1 FHAF CN(C)CCCN(C)c1ccnc2cc(-c3ccc(N(C)C)cc3)ncc12 40896835 CYYLTISBIUULLU-UHFFFAOYSA-N 363.509 3.751 0 1 FHAF C=CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(OC)c(OC)c2)OC1 73224536 DUJKSPFNUMAIPB-HXUWFJFHSA-N 351.402 3.896 0 1 FHAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CCC2=O 85589891 ZMITXKRGXGRMKS-QOFVRUKASA-N 370.511 3.786 0 1 FHAF endogenous,in-man COCCNC(=O)c1c(NC(=O)CC(C)(C)C)sc2c1C(C)(C)CC2 95563795 IFDNPDHNPZKLBU-UHFFFAOYSA-N 366.527 3.723 0 1 FHAF COC1CCC2(CC1)Cc1ccc(OCC(C)C)cc1[C@@]21N=C(C)C(N)=N1 95575502 BQDUISPSAOQZDJ-IVXJCAOYSA-N 369.509 3.837 0 1 FHAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCCCC3)[C@H]2CNC(C)=O)cc1 95872043 QPTVJUAMDJDBEQ-OHOCOBLPSA-N 370.537 3.565 0 1 FHAF O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)[C@@H]1CC1(F)F 96174706 OUAWWSNFVKSBFD-ZDUSSCGKSA-N 352.344 3.508 0 1 FHAF CCOC1(OCC)[C@@H]2c3cccc(OC)c3[C@H]([n+]3ccccc32)C1(C)C 100714961 HMIGSSGDKYOUFK-UXHICEINSA-N 354.470 3.827 0 1 FHAF COP(=O)(OC)[C@H](OC(=O)COc1ccccc1)c1ccccc1 103214108 OVPRLDDYELAVAZ-KRWDZBQOSA-N 350.307 3.793 0 1 FHAF COc1ccc2cccc(CCNC(=O)CC3(CC(=O)O)CCCC3)c2c1 169312001 DEGDCKUZMMJHPC-UHFFFAOYSA-N 369.461 3.932 0 1 FHAF O=C(c1ccc(F)cc1)N1CCc2ncc(COc3ccccc3)cc2C1 169326806 UDNFTGPNINXXKJ-UHFFFAOYSA-N 362.404 3.998 0 1 FHAF O[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(c2ccccn2)CC1 169334380 PPOROOFLUNLTLP-PKTZIBPZSA-N 359.473 3.679 0 1 FHAF COc1ccc(C[C@H]2COC(=O)[C@H]2Cc2ccc(Cl)cc2)cc1OC 203674734 DCKRUYAVEILBBV-RDJZCZTQSA-N 360.837 3.932 0 1 FHAF CC[C@@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)[C@H](C)O 204413389 OLJXCSWLXLONEA-GXFFZTMASA-N 357.351 3.551 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@]1(F)CCOc2ncccc21 205613895 HXBZTCDIUICWPT-KRWDZBQOSA-N 369.223 3.961 0 1 FHAF CC(C)N(CC[C@]1(c2ccccc2)C(=O)N[C@@H](C)N2CCCC[C@H]21)C(C)C 253862541 FEKYBEXKIPSLIU-UNWVZKJWSA-N 371.569 3.764 0 1 FHAF CCc1ncccc1Oc1cc(CCCCOC)cnc1NC(=O)NC 299835127 LSXSKCCBGGKZIS-UHFFFAOYSA-N 358.442 3.552 0 1 FHAF COc1cc(CNCCCN2CCC(Cc3ccccc3)CC2)ccc1O 299857649 OHQYAUCGQQKTST-UHFFFAOYSA-N 368.521 3.835 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)ccc(C)c3[nH]2)cc1 586938055 IKILLCPYRWRIRN-AWEZNQCLSA-N 357.479 3.924 0 1 FHAF CC(C)(C)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 586950621 ZZVADAZRDUBIQV-UHFFFAOYSA-N 357.479 3.823 0 1 FHAF COc1cccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12 587060691 MAOMOCKQCFJZQO-UHFFFAOYSA-N 351.797 3.761 0 1 FHAF OCc1ccc(F)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587141062 WFDGFMVPZAHGKU-UHFFFAOYSA-N 356.582 3.672 0 1 FHAF Fc1ccc(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(F)c1 587150145 KMZYIWMMNOYGAD-UTCJRWHESA-N 355.388 3.844 0 1 FHAF C[C@H](C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O 587347548 BHPHPWZXQOVHOZ-CZYCVGMRSA-N 358.365 3.760 0 1 FHAF COC(=O)C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352604 PJQJCQXMVVRMIO-CTNGQTDRSA-N 372.392 3.848 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccccc1C(=O)O)O2 587390702 NGEFOGQHYYHNRO-LJQANCHMSA-N 362.385 3.773 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCc4c(OC)ccc(C)c41)[C@@H](C2)C3=O 587443622 RLMSIZDQGBYACJ-AOMKIAJQSA-N 350.414 3.991 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](C)Nc2ccccc21 587483676 LJQSARTXHYMODY-XUSGNXJCSA-N 351.402 3.589 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(N)=S)cc1)CC2=O 587491778 NFQLGIKGDTXIBP-FQEVSTJZSA-N 370.474 3.881 0 1 FHAF O=C1C[C@@](Cc2ccc(F)cc2)(C(=O)O)Oc2c1ccc1c2CCCC1 587502085 BOJKHNPCDPFLDK-NRFANRHFSA-N 354.377 3.736 0 1 FHAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 587586662 JICNMOGUGQUEES-GHTZIAJQSA-N 363.369 3.673 0 1 FHAF Cc1nc(-n2ncc3ccc(Cl)cc3c2=O)ccc1Br 587651369 RNXXWZGPWBLOQT-UHFFFAOYSA-N 350.603 3.505 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(CC(F)F)c2)N1 587718302 NLJFJHVHPSUHPG-ANRSDYALSA-N 374.204 3.673 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)OC(C)(C)C)N1 587751950 CEFMOFLGZIFDKL-CABZTGNLSA-N 373.266 3.688 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)Cc2ccnn2C)N1 587759354 KJLQDKKVAMTLJI-AGKHESDQSA-N 366.278 3.776 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@H](c3ccnc(-c4ccsc4)c3)c3cccc1c32 963021545 HXOYQZVRSYBPES-QVKFZJNVSA-N 361.470 3.953 0 1 FHAF CC[C@@H](NC(=O)c1cnn2cccnc12)c1ccc(OC(F)(F)F)cc1 1772646021 HEJVBPWTLHJFHW-CQSZACIVSA-N 364.327 3.509 0 1 FHAF Cc1ccc([C@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)s1 1857754521 MLMPTNMMEBBTIG-SFHVURJKSA-N 360.442 3.798 0 1 FHAF NC(=O)c1c(F)ccc(OCc2cc(-c3ccc(Cl)cc3)no2)c1F 1857773819 CCMXZXCVTVMNHF-UHFFFAOYSA-N 364.735 3.951 0 1 FHAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)OC 2356306628 OSDWCUBYCGMKAM-CEXWTWQISA-N 366.498 3.772 0 1 FHAF CC1=C(C=C[C@]23NC(=O)CN2c2ccccc2C3(C)C)C=C2C=CC=C[C@@H]2O1 2356525107 JXSGLNRZTNLMMK-URXFXBBRSA-N 372.468 3.892 0 1 FHAF CC1(C)C=Cc2c(ccc3c2OC[C@H]2c4c(CO)cc(O)cc4O[C@H]32)O1 2356586569 FZLIKSWBUHMHRZ-MGPUTAFESA-N 352.386 3.678 0 1 FHAF CCc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)NCc1ccccc1 1379682 CXCUHIPPDUKZHW-LJQANCHMSA-N 365.477 3.870 0 3 FHAF C[C@@H](CN1C(=O)CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1=O)c1cccc(Cl)c1 101677960 GTOBYXNRRUPZQS-TZDHZFECSA-N 374.868 3.813 0 1 FHAF CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 101638170 JUTLWWKUPLIXDQ-UEDWGHLCSA-N 358.482 3.888 0 1 FHAF NCCCCN(C[C@H]1CCc2ccccc2N1)[C@H]1CCCc2cccnc21 103242147 KRKPKZOTZGHYAF-IRLDBZIGSA-N 364.537 3.927 0 1 FHAF CC1(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)CCCCC1 28235187 BSOHQWLHOBZOOU-UHFFFAOYSA-N 363.933 3.549 0 1 FHAF Cc1nccn1CCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 103290689 YTKUPAIRSKRRQG-UHFFFAOYSA-N 362.385 3.750 0 1 FHAF COc1ccc(C[C@@H](N)c2csc(NC(=O)c3cccs3)n2)cc1 61927502 OUTHXABFONQTQP-CYBMUJFWSA-N 359.476 3.708 0 3 FHAF NC[C@H]1[C@H](c2ccccc2)[C@@]1(C(=O)N1CCc2ccccc21)c1ccccc1 29046913 ZAKNFBUXJCNYEX-UMXIMWEHSA-N 368.480 3.886 0 1 FHAF CCc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569471 ZXSQHTDULMSNMS-UHFFFAOYSA-N 354.250 3.798 0 1 FHAF CC[C@@H]1c2cc(OC)c(OC)cc2N2C(=O)C[C@]34C=CCN(C)[C@]23[C@H]1CC4 2356711844 CEKNPBOCKIXUJV-NSAJDELNSA-N 368.477 3.542 0 1 FHAF CCOC(=O)/C=C/c1cn(-c2ccc(O)cc2)nc1-c1cccc(O)c1 49808209 RRDKOEWNYXWPHG-IZZDOVSWSA-N 350.374 3.527 0 1 FHAF Cc1cc2nc(C)c(CN3CCN(c4ccc(Cl)cc4)CC3)n2c(C)n1 43016478 AQHZNVAMLJSYRQ-UHFFFAOYSA-N 369.900 3.630 0 1 FHAF CN(C)C(=O)CCC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 299820576 BRTQQOZXMMJNLX-SNVBAGLBSA-N 374.662 3.695 0 1 FHAF COc1ncccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587775385 ZRVISNNMAQSHGB-BJOHPYRUSA-N 351.219 3.615 0 1 FHAF CCOC(=O)[C@H](C)[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 587412221 IEZLQHPTWWXLDB-HXPMCKFVSA-N 359.447 3.699 0 1 FHAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnc1O 587773219 XTJMDKGYMPAFOO-PSLIRLAXSA-N 351.219 3.621 0 1 FHAF Cc1[nH]nc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594998 MDDVCVUVCZBCAT-RXVVDRJESA-N 362.385 3.617 0 1 FHAF Oc1nc(O)c2ccc(-c3ccc(Br)c(Cl)c3)nc2n1 587367111 SRNWLDUUEADLEQ-UHFFFAOYSA-N 352.575 3.519 0 1 FHAF COc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1OC 587116918 MHBABXWKMDAQIY-UHFFFAOYSA-N 360.723 3.653 0 1 FHAF COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2c(C(=O)O)cccc12 587639055 ZRCILLQLUKKOOE-NSHDSACASA-N 362.426 3.641 0 1 FHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 587785823 OYTQZYDFHGQNSE-VXGBXAGGSA-N 372.222 3.664 0 1 FHAF CN1CCN(c2ccc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)CC1 586887367 GHHCJAOIJUFBTH-LYNVYRENSA-N 350.510 3.783 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccn1C 587865578 BQJYDVYOGKXHHA-UHFFFAOYSA-N 363.339 3.995 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C2CC2)nc1 587590029 ZJTDXUARPQOFLJ-PXNSSMCTSA-N 360.369 3.763 0 1 FHAF CC[C@]1(c2cn[nH]c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350163 WUVLFIOUXHJQNG-AZUAARDMSA-N 352.365 3.919 0 1 FHAF Cc1ccc(C(=O)C[C@]2(C(F)F)NCCc3c(C(=O)O)cccc32)cc1 963131666 NLOHWEDRZSJVOK-FQEVSTJZSA-N 359.372 3.572 0 1 FHAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(C)c(C(=O)c2ccccc2)c1F 1772637975 OJCZUXUECLPSTI-WMLDXEAASA-N 356.441 3.670 0 1 FHAF Fc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(Br)o3)C2)cc1 13124844 YLYCAJQQHIQZQJ-GFCCVEGCSA-N 361.174 3.887 0 1 FHAF FC(F)(F)c1cnc(Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)nc1 150019859 ICCTXZZZLREYCW-ZDUSSCGKSA-N 358.751 3.553 0 1 FHAF Cc1ccnc(N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)c1 169310213 KKMBVOPXHIOLBE-QGZVFWFLSA-N 357.885 3.619 0 1 FHAF COc1nc2cccnc2n1C1CC(Nc2nc3ccccc3s2)C1 169352733 QSZCDYHTHAAFAW-UHFFFAOYSA-N 351.435 3.865 0 1 FHAF in-vitro C[C@H]1[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)[C@H]1COc2ccccc2O1 201100038 VHXMRQPEDURYLP-DYOKRDNJSA-N 363.457 3.577 0 1 FHAF CC(C)c1ccc(CN2CCN(c3nc4cc(N)ccc4o3)CC2)cc1 1857557353 XFVIEGMDZJQTNS-UHFFFAOYSA-N 350.466 3.856 0 1 FHAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCO 4213667 PPDNJQXESFNZPJ-LEWJYISDSA-N 368.477 3.962 0 1 FHAF N[C@H]1CC[C@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)CC1 101556567 ZDXQLMBSNKHXCJ-TXEJJXNPSA-N 374.851 3.947 0 1 FHAF COC(=O)C[C@H](C)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C 2356667816 QITUJLTUQMLIPF-QVWLALMTSA-N 352.515 3.708 0 1 FHAF COc1ccc(F)c(-c2c[nH]c(-c3cccc(CN4CCOCC4)c3)n2)c1 66259691 RTFYVHUBOHLBKA-UHFFFAOYSA-N 367.424 3.724 0 1 FHAF O=C(c1ccc(Cl)c(Cl)c1)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 74378525 COTRLQWRDRCQLZ-CJNGLKHVSA-N 361.228 3.869 0 3 FHAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@@H]1CCCc2ncsc21 220892133 AOXCAPNBKDAULM-BXUZGUMPSA-N 371.289 3.720 0 1 FHAF COc1ccc(F)cc1-c1cc(NCc2ccc3c(c2)OCO3)ncn1 82160201 CSCDQACYCAGPHC-UHFFFAOYSA-N 353.353 3.632 0 1 FHAF COc1cccc(CCNc2cncc(Oc3ccccc3)n2)c1OC 82068581 GPCDESZBGWBYKI-UHFFFAOYSA-N 351.406 3.941 0 1 FHAF O=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(Cl)ccn23)c1 147367865 VBQHSJBFIWGXIL-UHFFFAOYSA-N 369.734 3.734 0 1 FHAF N[C@H]1CC[C@H](Nc2cc(Nc3ccccc3Cl)n3nccc3n2)CC1 254091762 FISPOMCKBOYLEG-JOCQHMNTSA-N 356.861 3.808 0 1 FHAF O=c1c(-c2ccnc(NC3CCCCC3)n2)cnc2sc(Cl)cn12 299849431 NLVNAOAIISBXMZ-UHFFFAOYSA-N 361.858 3.611 0 1 FHAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2[nH]ncc2c1 299856485 JAPPIMUULVMDTB-SNVBAGLBSA-N 364.232 3.953 0 1 FHAF CC[C@H](C)[C@@H]1CN([C@@H](CNC)Cc2ccccc2)CCN1CC(C)(C)C 653918471 DXYCBCUVRRTFJY-NNWRFLSQSA-N 359.602 3.896 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]c3cc(Br)ccc13)O2 587374634 ZKQXZXARMXHJPB-HNNXBMFYSA-N 372.222 3.923 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3n[nH]c(Cl)c3c1)CC2=O 587459629 DYSNNRKMSWAIMS-OAHLLOKOSA-N 357.797 3.976 0 1 FHAF COC(=O)C(C)(C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803452 AQRVAPFKTBFXHK-FVMDXXJSSA-N 358.251 3.537 0 1 FHAF COc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1C 586983861 KHKZEJQZQKKPMB-CYBMUJFWSA-N 360.255 3.885 0 1 FHAF COC(=O)c1cc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2cc1OC 587950064 JCCJESQZWLNMJX-UHFFFAOYSA-N 370.449 3.844 0 1 FHAF C[C@H](O)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610487 GFFOQEAIRKUZCF-LCIZUOBNSA-N 368.410 3.692 0 1 FHAF O=C1COc2cc3[nH]c(Cn4ccc5ccc(Cl)cc54)nc3cc2N1 587081162 WLQXKNZOWSDHNE-UHFFFAOYSA-N 352.781 3.550 0 1 FHAF Cc1cc(-c2nc3c(O)nncc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144562 LBCLMUGXYWNPIK-UHFFFAOYSA-N 364.336 3.538 0 1 FHAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 586950090 POWYSDHRRAZBMP-UHFFFAOYSA-N 370.261 3.832 0 1 FHAF COC(=O)c1cccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12 587114850 XOGKDEIVUWKRQI-ZDUSSCGKSA-N 363.339 3.611 0 1 FHAF COc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cn1 586999351 YBJIEPXYROITJB-NSCUHMNNSA-N 374.194 3.628 0 1 FHAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1N 587750248 SGJLZMLROIZSER-VVVCHXIZSA-N 365.246 3.803 0 1 FHAF C[C@]1(c2ccccc2[C@H](O)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587533981 TWEXBIHYRSFWPV-SIKLNZKXSA-N 366.413 3.564 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3[nH]c(O)cc32)N1 587801442 GJKXTGBOEUPAFU-XYZCENFISA-N 365.246 3.736 0 1 FHAF Cc1cc([C@]2(C)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(C)o1 962628817 FZCJJTKOPFHQBM-GUYCJALGSA-N 369.339 3.657 0 1 FHAF C[C@]1([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)CCCS1 962636898 KCMHSCYLTQBZST-PWIZWCRZSA-N 356.491 3.660 0 1 FHAF CCOC(=O)[C@@]1([C@@H]2CCCC2=O)c2ccsc2CCN1Cc1ccco1 962709981 KSEADWUKDHLUJH-FOIQADDNSA-N 373.474 3.527 0 1 FHAF COCCN(C)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 12431824 YTGICYMTGNHLFE-UHFFFAOYSA-N 358.825 3.790 0 1 FHAF CN(CCCCc1ccccc1)C[C@H](O)c1ncc(-c2ccccn2)o1 14980165 DTLJRCZJLMKFGO-IBGZPJMESA-N 351.450 3.725 0 1 FHAF O=C1CCCN1c1cccc(NC[C@@]2(c3ccc(F)cc3)CCOC2)c1 19146312 YDHKBUUVNHAULO-NRFANRHFSA-N 354.425 3.723 0 1 FHAF CN(C)c1ccc(-c2cc3c(cn2)[nH]c(=NCc2ccccc2)n3C)cc1 1857602319 YSDNWARQOMQPFP-UHFFFAOYSA-N 357.461 3.735 0 1 FHAF Cc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc2c1OCO2 2356405224 LODNQAFUIQQIPG-PBFVBANWSA-N 368.385 3.528 0 1 FHAF CC(C)[C@]1(O)CC[C@]2(C)C=C[C@](C)(O)C[C@H](OC(=O)c3ccccc3)[C@@H]21 2356421699 RLHMEXGBDMGLGZ-OOOLTRJPSA-N 358.478 3.726 0 1 FHAF CC[C@@H]1C=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 2356475132 QBUNWYIRJPTIPL-UVSIJDHLSA-N 364.482 3.549 0 1 FHAF Cc1ccc(OCCCC(=O)O)c(C(=O)c2ccc(-n3ccnc3)cc2)c1 28395422 BFBWMJNLUPYOJY-UHFFFAOYSA-N 364.401 3.655 0 1 FHAF C[C@@H](CN1C(=O)CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1=O)c1ccc(Cl)cc1 101677996 FNLOYSHYLCJHER-SHFYGJNESA-N 374.868 3.813 0 1 FHAF Cc1cc2cc(C(=O)Nc3cnn(Cc4c(C)noc4C)c3)ccc2o1 115732247 MNFKCCXCAXGWKZ-UHFFFAOYSA-N 350.378 3.843 0 1 FHAF COc1ccc(-n2ccc3c(sc4nccc(OC)c43)c2=O)c(C)c1 35285472 SAUGHCXILOWEQR-UHFFFAOYSA-N 352.415 3.926 0 1 FHAF COc1cccc([C@H](NC(C)=O)c2nc(-c3cccc(O)c3)cs2)c1 61927101 FCLJPOJBTIQRDF-SFHVURJKSA-N 354.431 3.750 0 3 FHAF O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)c1cccc(O)c1 36351902 KPPPBQZYPYSZDU-UHFFFAOYSA-N 360.457 3.940 0 1 FHAF COc1ccc(-c2nc3cnc(Nc4ccccn4)cc3n2C)cc1OC 74388890 ICARCYAMQIOQLZ-UHFFFAOYSA-N 361.405 3.791 0 3 FHAF C=CC1=C(C(=O)NCCc2ccccc2F)[C@@H](c2ccc(F)cc2)OC1 73240392 XRBCJNYXHMRRDP-HXUWFJFHSA-N 355.384 3.878 0 1 FHAF Cc1cc(Nc2nc(-c3cccnc3)cn3c(-c4cn[nH]c4)cnc23)sn1 72111210 OAJNZHZQLRZZSC-UHFFFAOYSA-N 374.433 3.690 0 1 FHAF Fc1ccccc1[C@@H](Cc1ccccc1OC(F)F)N1CCNCC1 49035910 FCEXIPULXFOGIW-QGZVFWFLSA-N 350.384 3.616 0 1 FHAF in-vitro COc1cc2c(cc1OC)CN1CCc3cc(OC)c(OC)cc3C1=C2 196528141 VCMGDCLRDVRTFI-UHFFFAOYSA-N 353.418 3.591 0 1 FHAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccc(Cl)cc2O[C@H]31 220302772 QZKFEGKZSVFTNX-LJQANCHMSA-N 354.793 3.919 0 1 FHAF O=C1Nc2ccccc2[C@@H]1CCCCN1CCN(c2ccc(F)cc2)CC1 84466495 YNDUSHJSFHOHRB-FQEVSTJZSA-N 367.468 3.854 0 1 FHAF COc1ccc(OC)c(CCNc2cc(-c3ccccc3F)ncn2)c1 82161570 NCNOYXMTNOIECP-UHFFFAOYSA-N 353.397 3.955 0 1 FHAF Oc1nc(O)c(Cc2ncccn2)c([C@H]2CC[C@@H](c3ccccc3)CC2)n1 254086103 FHWVHJREWMBQJT-IYBDPMFKSA-N 362.433 3.710 0 1 FHAF COc1ccc(-c2n[nH]c(N3C(=O)CS[C@H]3c3ccc(C)cc3)n2)cc1 2382220279 MVOQBRRGBMZUPZ-SFHVURJKSA-N 366.446 3.567 0 1 FHAF COc1ccccc1/C=C/CN1C[C@@H]2CCC[C@H](C1)[C@]2(O)c1cccnc1 299855826 GPOIPVRAQNIIHX-CJBBIGKCSA-N 364.489 3.723 0 1 FHAF COc1cccc(-c2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)on2)c1 587438654 POQZRDXZAHWAIC-VFNWGFHPSA-N 363.369 3.848 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(=O)O)cc1OC 587871716 NTAKVDAUWYOKJF-UHFFFAOYSA-N 356.353 3.784 0 1 FHAF OCc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587029461 OZRURPWTLCVYNZ-UHFFFAOYSA-N 361.430 3.577 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(OC)cc1C)[C@@H](C2)C3=O 587440679 AJNHZGHWXPEALU-BTYIYWSLSA-N 354.402 3.684 0 1 FHAF Cc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587587305 MGGCBAGNCMKFFF-WIYYLYMNSA-N 362.385 3.810 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn3ccccc23)N1 587791757 GLPYHDMCIHHODQ-BMLIUANNSA-N 360.230 3.860 0 1 FHAF Fc1cc(-c2nc3ccnc(Br)c3[nH]2)cc(N2CCCC2)n1 587177169 ARZIPDSWRXFGDT-UHFFFAOYSA-N 362.206 3.522 0 1 FHAF COC(=O)c1cc2[nH]c([C@H](C)c3ccc(N(C)C)cc3)nc2cc1OC 587196571 WCJLACUTIDPWHM-GFCCVEGCSA-N 353.422 3.576 0 1 FHAF CCCC(Br)(CCC)c1nc2ccc(C(=O)OC)nc2[nH]1 586971292 QOBJVIWVZNBPLG-UHFFFAOYSA-N 354.248 3.935 0 1 FHAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cnnc(O)c4[nH]3)c2)c1 587051127 XSGHJCGECXVUBA-UHFFFAOYSA-N 350.765 3.858 0 1 FHAF Fc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)nc1Br 587154615 CKHZCIZDYBEXMZ-UHFFFAOYSA-N 361.096 3.940 0 1 FHAF Cc1ncc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(C)c1Br 586979499 NYHTVAFJCWZKEW-UHFFFAOYSA-N 360.211 3.775 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CC[C@H]2N3C)N1 587773548 ZNWHOKSTTKUNHU-RPTSFBHLSA-N 353.279 3.574 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(C(=O)OC)c1)CC2=O 587479041 MBDTUJPKMUVNMJ-IBGZPJMESA-N 370.401 3.846 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)O2 587401115 SOHINIBKNRNFAU-CGSMKXTHSA-N 372.465 3.558 0 1 FHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(F)c(F)c3[nH]2)C(F)(F)C1 587131877 FFWYRSABZMIMRW-MRVPVSSYSA-N 359.323 3.811 0 1 FHAF Cc1nc2[nH]c(-c3cnc4c(F)cccc4c3N)nc2cc1Br 587176797 RTYQJMDDEDNBSS-UHFFFAOYSA-N 372.201 3.965 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 586950793 MLFNPBHYLWLLSV-UHFFFAOYSA-N 356.234 3.908 0 1 FHAF CCOc1cc(Cl)c([C@H]2NCCc3c2c(C(C)C)nn3C)cc1OC 962915111 FTQPLYUZKYBNCP-LJQANCHMSA-N 363.889 3.839 0 1 FHAF O=C(c1ccc2occc2c1)c1cn(CCN2CCOCC2)c2ccccc12 13742603 SRGDBDFYMXFTMR-UHFFFAOYSA-N 374.440 3.951 0 1 FHAF CCOC(OCC)c1cn(Cc2ccc(C(=O)c3ccccc3)cc2)nn1 15935024 FRCJKPFKDSNJFZ-UHFFFAOYSA-N 365.433 3.629 0 3 FHAF N#Cc1ncc(F)c(N(Cc2ccc3c(c2)OCO3)C2CCCCC2)n1 201767582 QTVPDZJZFZDWSN-UHFFFAOYSA-N 354.385 3.555 0 1 FHAF COc1cc(C(=O)c2cnn(-c3cc(C)cc(C)c3)c2)cc(OC)c1OC 1857648321 GQTVPYGVXCUKJI-UHFFFAOYSA-N 366.417 3.746 0 1 FHAF CC=CC=C[C@@H]1C[C@@H]2OC(C)(C)[C@@H]3CCC(C)=C[C@@H]3[C@@H]2[C@H](O)[C@H]1C(=O)O 2356333214 ORVJFPWLYFLWRB-JUSAMEGKSA-N 360.494 3.966 0 1 FHAF O=C(NCCNc1ccnc2c(F)cc(F)cc12)Nc1ccccc1F 103179517 YNNIGIKCGAIBEO-UHFFFAOYSA-N 360.339 3.886 0 1 FHAF CC(C)(C(=O)O)[C@H]1CC[C@@]23C[C@@H](CC[C@H]2[C@]1(C)CC(=O)O)[C@@]1(C)O[C@H]31 104373499 QGTMYAPGXJWNQR-PLKSQBKLSA-N 350.455 3.562 0 1 FHAF in-man C[C@@H]1CN(Cc2ccc(F)cc2)CCN1CCC[C@@H](O)c1ccc(F)cc1 26737961 GTYCNWYIXLEGCJ-VGOFRKELSA-N 374.475 3.985 0 1 FHAF O=C(O)CC[C@@H]1C[C@@H]1c1ccc(OCc2ccc3c(n2)NCCC3)cc1 28648201 ZLQCBMOQODJIPC-VQIMIIECSA-N 352.434 3.987 0 1 FHAF OCCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 22937807 ZTECBXOHIVSPQL-TZIWHRDSSA-N 374.887 3.666 0 1 FHAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 2356442806 QLPYHQHJKMTHED-HLNWXESRSA-N 368.514 3.564 0 1 FHAF COc1cc(C[C@@H](C)[C@@H](C)Cc2cc3c(cc2O)OCO3)c(O)cc1O 2356581573 AZKDNDQVWNXSHU-NEPJUHHUSA-N 360.406 3.598 0 1 FHAF N=C(N)c1ccc2oc(CCCc3cc4cc(C(=N)N)ccc4o3)cc2c1 28870090 CKJSCALCKBEFRW-UHFFFAOYSA-N 360.417 3.922 0 1 FHAF CNC(=N)NC[C@@]1(C)[C@H]2CC3=C(C(=O)O)CC[C@]31[C@@H](C)CC21CCCC1 2356777590 ZKDWDFRZWOXPNM-QZMRNICNSA-N 359.514 3.518 0 1 FHAF CC(C)=CCC/C(=C\CC/C(=C/CCC1=CCOC1=O)C(=O)O)C(=O)O 34577396 PNULYALODGNHHJ-BAEUGAPFSA-N 362.422 3.798 0 1 FHAF CCCN1CCc2cc3sc(=O)n(C)c3cc2[C@@H]1c1cccc(OC)c1 45347393 DUOFEVDVQQKFMG-FQEVSTJZSA-N 368.502 3.966 0 1 FHAF COc1cc(-c2cnc(C)nc2-c2ccccc2O)cc(OC)c1OC 40394899 VXJYXYYKXOSJQJ-UHFFFAOYSA-N 352.390 3.850 0 1 FHAF O=C(N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1cccc(F)c1 199358145 YEFCTKMIFXAVAT-GOSISDBHSA-N 374.843 3.790 0 3 FHAF O=C1C=C(c2ccc(O)c(Br)c2)/C(=C/c2ccc(O)cc2)O1 95571860 IXURNKCVCIQLGL-APSNUPSMSA-N 359.175 3.842 0 1 FHAF COc1ccccc1N(C)C(=O)c1ccc(N2CCc3ccccc3C2)nc1 95591717 DYHRJAAKBCTMQP-UHFFFAOYSA-N 373.456 3.930 0 1 FHAF C/C=C(/C)C(=O)Oc1cc(C)c(OC)cc1[C@]1(COC(=O)/C(C)=C/C)CO1 238748779 IVFOHELPDWAVAV-FORWPWMXSA-N 374.433 3.610 0 1 FHAF CCOC(=O)[C@@H]1c2c(c3ccccc3n2C)CCN1C(=O)OC(C)(C)C 95557758 DAPHQHGCQZOEHD-KRWDZBQOSA-N 358.438 3.576 0 1 FHAF CC(C)(C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21 96271928 VLUXRHRHCFJTLC-KRWDZBQOSA-N 371.868 3.682 0 1 FHAF Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(N(C)C)cc3)c2n1 473151216 OFLMPYLNOLFYDY-UHFFFAOYSA-N 358.449 3.778 0 1 FHAF CSc1nccc(N2CCC(N(C)Cc3ccccc3Cl)CC2)n1 299862245 MSQDCMZCQNGZCB-UHFFFAOYSA-N 362.930 3.953 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ncc(C)cc1Br)[C@@H](C2)C3=O 587413678 OSYIHQCLZXSJOP-APPDUMDISA-N 360.207 3.650 0 1 FHAF Oc1c(-c2ccccc2)cccc1-c1nc2c(S)nc(S)nc2[nH]1 586896635 GGCLOZZQTXBUMS-UHFFFAOYSA-N 352.444 3.970 0 1 FHAF CCN(CC)CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661341 XPEVZENOEMUSJK-UHFFFAOYSA-N 367.424 3.575 0 1 FHAF COc1cc(OC)c2[nH]c(-c3cc(OC)n(-c4ccccc4F)n3)nc2c1 587155806 HMZSMSSAJQJONY-UHFFFAOYSA-N 368.368 3.581 0 1 FHAF Cc1[nH]c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C=O 587791265 KRVQVLBXWNCLKX-RBHXEPJQSA-N 365.246 3.969 0 1 FHAF CC[C@H](c1nc2ccccc2[nH]1)n1cc(I)c(C)n1 587184799 NDXWWTUOUNBQLJ-CYBMUJFWSA-N 366.206 3.672 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 586916179 KXNFTVDPUWGNRD-RBZFPXEDSA-N 368.364 3.617 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn(C)c1 587860491 VHMBEGLTNWWIKP-UHFFFAOYSA-N 365.220 3.678 0 1 FHAF CC(=O)Nc1cccc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587242227 JWYLSZXQIAPCLY-UHFFFAOYSA-N 371.444 3.944 0 1 FHAF CC(C)OC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792648 LTDBDRDNSSDBTQ-MGPLVRAMSA-N 358.251 3.679 0 1 FHAF Fc1cc(C(F)(F)F)c2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2c1 587128381 MJJWQSAOXBGGKZ-UHFFFAOYSA-N 372.232 3.763 0 1 FHAF CCOC(=O)C(C)(C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796551 LFYFHYTWFNMXAS-BTDLBPIBSA-N 372.278 3.927 0 1 FHAF COc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1F 587132206 MUUWDISYSKGMLH-VIFPVBQESA-N 371.359 3.680 0 1 FHAF CCn1nc(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587763531 JXCUZKZHDVKOKZ-FVMDXXJSSA-N 352.251 3.737 0 1 FHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1O 587591139 FYSRNQYXCIKESI-WIYYLYMNSA-N 364.353 3.809 0 1 FHAF Cc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587589903 YPRHUIIOUFIVGP-JXFKEZNVSA-N 351.358 3.874 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3OC(C)(C)O[C@H]32)N1 587839520 SSHUMFGTMAGFPA-QEPDGOKGSA-N 370.262 3.632 0 1 FHAF Cc1c(F)ccc2c1[C@@]1(NCC2)C2CCN(CC2)[C@@H]1Cc1ccccc1F 962095216 WMXWVLSZLAVZMB-FYYLOGMGSA-N 368.471 3.951 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1cc3cc(CO)oc3cc1[C@H](O)CC2 1772616929 PGOYKKNSEFAFGI-MRXNPFEDSA-N 370.401 3.598 0 1 FHAF Clc1ccc2c(N3CCN(CCN4CCCCCC4)CC3)ccnc2c1 1772655699 ZDQMXQHAGMKRLA-UHFFFAOYSA-N 372.944 3.886 0 1 FHAF Nc1nnc(-c2ccc3[nH]cc(-c4cccc(N5CCCC5)n4)c3c2)s1 204763285 WHKBERSELXLKHK-UHFFFAOYSA-N 362.462 3.931 0 1 FHAF O=C(O)Cc1cn2nc(-c3ccc(OCc4ccccc4)cc3)ccc2n1 1857608615 AUVOIDSPJBYSAY-UHFFFAOYSA-N 359.385 3.602 0 1 FHAF CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)N2CCOCC2)nn1-c1ccccc1 630638 LPPFLTHBSKJODI-KSFYIVLOSA-N 365.477 3.520 0 3 FHAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)[C@@H]1c1cccs1 2460016 WSIRVTNFBYMQFO-MSOLQXFVSA-N 363.442 3.692 0 1 FHAF Cn1cccc1C(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 22933706 UPLINKDANHNJMJ-HSZRJFAPSA-N 373.500 3.767 0 1 FHAF O=C1[C@H]2CCC[C@@H]2N=C(c2ccccc2O)N1CCc1cccc(F)c1 28522633 RVUYYDYEDLCXFG-WMZOPIPTSA-N 352.409 3.532 0 1 FHAF O=C(O)c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620840 GJDPQQPJIWRNQY-FPOVZHCZSA-N 374.440 3.978 0 1 FHAF c1cnn(Cc2ccc(Nc3cc4[nH]c(-c5cn[nH]c5)cc4cn3)cc2)c1 103250526 XSJWROYTYXTZKU-UHFFFAOYSA-N 355.405 3.941 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3cccnc3)cc2)c2cccc(F)c2c1=O 45391766 RWAHKTYMXPBNIM-UHFFFAOYSA-N 374.371 3.949 0 1 FHAF C[C@H](NC(=O)c1cccs1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356732693 OYHMTQYYUOTCJP-VIFPVBQESA-N 360.366 3.731 0 1 FHAF OCc1ccccc1-c1cnc2sc(NCc3ccc(F)cc3)nn12 61903654 LBVAMEXOOMDLRL-UHFFFAOYSA-N 354.410 3.701 0 3 FHAF CC(=O)O[C@@H](C)c1cncc2c(=O)n3c(cc12)-c1[nH]c2ccccc2c1CC3 6030437 WQJMGTHQJZQNTK-LBPRGKRZSA-N 373.412 3.725 0 1 FHAF biogenic CC(C)N1CCN(C(=O)N(C)Cc2ccc(-c3ccccc3)cc2)CC1 36188069 IBDZHVJBQBHARX-UHFFFAOYSA-N 351.494 3.931 0 1 FHAF O=Cc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@@H]2c1cc(O)cc(O)c1 15262173 OQPLDSDBGSRXSC-CTNGQTDRSA-N 364.353 3.587 0 1 FHAF biogenic COc1cc(-c2nc(CN(C)Cc3ccco3)co2)cc(OC)c1OC 72184807 NCUAQTITZQBXPB-UHFFFAOYSA-N 358.394 3.592 0 1 FHAF CCCn1c(-c2ccco2)nc2c(N)nc(NCCc3ccccc3)nc21 147617297 VPLUNXFWUCASHO-UHFFFAOYSA-N 362.437 3.733 0 1 FHAF O=C([C@@H](Cc1ccccc1)c1ccccc1)N1CCN(c2ccncc2)CC1 95556016 IUSILDXGJIMQTD-QHCPKHFHSA-N 371.484 3.757 0 1 FHAF COc1c(O)c2c(c3c1[C@@H](CO)OC3=O)CC[C@H]1C(C)(C)CCC[C@]21C 653708725 GAPWIFLZVGQCDL-BHVCSQLQSA-N 360.450 3.635 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2ccc(O)cc2)N1 587831770 IESBXOFIJAEKRH-FVMDXXJSSA-N 364.214 3.752 0 1 FHAF N[C@H](N=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 587080394 CFFOEIWOIPTJDA-QGZVFWFLSA-N 357.801 3.541 0 1 FHAF Cc1nn(C)cc1[C@]1(/C=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587515653 NMVVSEJQBRDSOR-GJCOWUBNSA-N 365.477 3.543 0 1 FHAF O=C1C[C@](Cc2ccc(F)cc2)(C(=O)O)Oc2c1ccc1c2CCCC1 587502088 BOJKHNPCDPFLDK-OAQYLSRUSA-N 354.377 3.736 0 1 FHAF Cc1c(-c2nc3nccc(Cl)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029878 UZDLXBPYVQLPFA-UHFFFAOYSA-N 357.826 3.761 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCCc3c[nH]nc32)[C@@H]1c1ccc(F)cc1 587349395 UOZCVNOIXUFPMR-WIYYLYMNSA-N 364.376 3.845 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(C)nccc3[nH]2)cc1 587041590 ZRCWACPYVZALDM-INIZCTEOSA-N 368.462 3.553 0 1 FHAF COc1cnccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587556 OJJYULCNNBYEDB-WIYYLYMNSA-N 363.369 3.673 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3cc(C)nn3c1C)CC2=O 587481632 HANOFDKCEBPUEI-NRFANRHFSA-N 365.433 3.885 0 1 FHAF COC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587080971 WCMGZIHEOWCUNX-CQSZACIVSA-N 368.824 3.727 0 1 FHAF OCC12CCC(c3nc4ccc(Br)c(O)c4[nH]3)(CC1)CC2 586895727 WALVWBVTKCLMKP-UHFFFAOYSA-N 351.244 3.615 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 586967461 YILXDKPZTYLZAB-UHFFFAOYSA-N 371.315 3.960 0 1 FHAF CCn1ncc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587763328 JHSGMKHCLHEXOT-BMLIUANNSA-N 366.278 3.911 0 1 FHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc(C(=O)O)c3[nH]2)c1 587241669 GUQGFRFLSHYXEI-UHFFFAOYSA-N 369.377 3.981 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1COc1ccc(F)cc1 587570803 LXSLCCFGJQQRBV-MOPGFXCFSA-N 366.344 3.941 0 1 FHAF COc1cc2c(cc1OC)[C@@]1(CCc3cc4c(cc31)OCC4)N(C)[C@H](C)C2 962572699 QEVQFOXBFDEADI-FATZIPQQSA-N 365.473 3.705 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]31CCc2cc(Cl)c(N)cc21 963062111 WGSXJGHPILGLOR-OAQYLSRUSA-N 365.864 3.815 0 1 FHAF COc1ccc(Br)cc1CCc1ccccc1C1=NCCN1 13559856 UGEWWDGQZJPIRF-UHFFFAOYSA-N 359.267 3.593 0 1 FHAF C[C@]12CC[C@@H]3[C@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 14904308 AZEYSSQIWVQIBS-OMOIRISLSA-N 356.462 3.773 0 1 FHAF COc1ccc(Cn2c(=NCc3ccco3)[nH]c3ccccc32)cc1F 1857593886 GJKNVFZNTXRTIE-UHFFFAOYSA-N 351.381 3.859 0 1 FHAF CNCc1ccccc1Sc1ccc(I)cc1N 13472756 CWUIGDTZNNNLBE-UHFFFAOYSA-N 370.259 3.744 0 1 FHAF c1cc(Oc2ccc(C3=NCCO3)cc2)ccc1OCCN1CCCC1 587640 OOFLUGQLPZSRDT-UHFFFAOYSA-N 352.434 3.730 0 1 FHAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCC(C)(C)CO 775819 DRNNHMUJQDJBEG-UHFFFAOYSA-N 374.481 3.786 0 1 FHAF CO[P@](=O)(O)/C=C/[C@@H](NC(=O)C(Cl)(Cl)Cl)c1ccccc1 1863480 PMHATEDYHTVLRG-QROSGCPLSA-N 372.572 3.560 0 1 FHAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 4043187 VPFOJNUOWNTJNQ-IEBWSBKVSA-N 371.506 3.822 0 1 FHAF CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 6724136 NDDCAUFLATXOBO-QZTJIDSGSA-N 356.491 3.821 0 1 FHAF CC(C)NC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 7992664 WDOGXNCKAXIVDS-AQNXPRMDSA-N 366.461 3.815 0 1 FHAF COc1cc2c(cc1O)[C@@H]1[C@@H](C)c3ccc(OC)c(OC)c3CN1CC2 13408573 UABBYTGYXLXVNA-YUNKPMOVSA-N 355.434 3.635 0 1 FHAF biogenic C[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(F)c(N2CCOCC2)c1 26733930 CGYAPKNMCALELZ-JCVNQNCUSA-N 354.425 3.553 0 1 FHAF Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1 35683248 PEXQMYKPVANJKN-UHFFFAOYSA-N 363.461 3.559 0 1 FHAF CCCCC(=O)N(Cc1ccc(OC)cc1)c1cccc(-c2nnn[nH]2)c1 84707815 NWQGBNZUYPMVQJ-UHFFFAOYSA-N 365.437 3.599 0 1 FHAF C[C@@H]1CCCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1 95573027 ALHVRPXIXOGVEB-GFCCVEGCSA-N 360.845 3.641 0 1 FHAF COc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2 95588452 NYVGBMADPQWZJM-UHFFFAOYSA-N 374.444 3.609 0 1 FHAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@@H](C)C3=O 95909188 LULOWBNDQZZTNH-DDTFWELISA-N 362.510 3.748 0 1 FHAF biogenic,in-vitro CCNc1nc2cc(OC)c(Cl)cc2nc1NCCCN1CCCC1 115765949 HOJCENDEYQMRRC-UHFFFAOYSA-N 363.893 3.621 0 1 FHAF COc1ccc2c(c1)CC[C@]1(CCCCN1CC(=O)c1ccccc1)C2=O 207877589 OGQYPJIMVYVGOQ-HSZRJFAPSA-N 363.457 3.932 0 1 FHAF CCOC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3c(C)ccn3C)cc1)N2 253644176 HBQKMASEGGGNBY-VNTMZGSJSA-N 352.478 3.788 0 1 FHAF COc1c(NC(=O)c2ccc(F)cc2)cccc1C(=O)C1CCN(C)CC1 473090068 URVFZUFGMKDWLJ-UHFFFAOYSA-N 370.424 3.611 0 1 FHAF COC(=O)c1cccc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c12 586915270 BWXNCRGNVMBWNP-YCRPNKLZSA-N 364.401 3.566 0 1 FHAF CS(=O)(=O)c1cccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 586927202 VJGOIXMYFLHJRD-UHFFFAOYSA-N 356.325 3.532 0 1 FHAF COC(=O)C[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993640 YUFFNYMFRXLIMN-NSHDSACASA-N 359.381 3.745 0 1 FHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Cl)nc4[nH]3)cc2N1 587125374 DQMIWIWCRMYGJB-RCOVLWMOSA-N 356.739 3.782 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn([C@@H](C)C(=O)O)c3ccccc13)O2 587389339 HMZASEMZGJIAMB-HXPMCKFVSA-N 364.401 3.884 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CCC1)([C@@H](C)NC(=O)OC(C)(C)C)O2 587392109 WRSXOBPESYMCAY-LRTDBIEQSA-N 374.481 3.995 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1C)O2 587396421 SEJJLSAFIONOPC-RNODOKPDSA-N 360.454 3.558 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1n[nH]c(C)c1Br)CC2=O 587457373 HNKBWBVCFLOYLY-ZDUSSCGKSA-N 365.227 3.845 0 1 FHAF COc1ccccc1C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599697 HKOSFNTWQKJHLX-VQTJNVASSA-N 362.381 3.974 0 1 FHAF C[C@H](N)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587750895 VGEYLTAWOUNKTE-FTLABTOESA-N 363.274 3.713 0 1 FHAF COc1cnccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587771035 BDPVFQLPHBCZDP-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF COc1ccc(C=O)c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c1OC 587785567 BYBCHWVFZOZTTQ-UHFFFAOYSA-N 352.177 3.761 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C(=O)O)C[C@H]2C)N1 587825771 IJKSYSPTEDMWON-LSGKAKCFSA-N 370.262 3.839 0 1 FHAF NC(=O)C[C@@H](C1CCCCC1)n1cc(Nc2ncnc3sccc23)cn1 653849048 BXNPNBZPRDEEKY-HNNXBMFYSA-N 370.482 3.628 0 1 FHAF COc1ccc(Cl)cc1-c1cncc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772582992 VVWQAQRYBOOMPY-OAHLLOKOSA-N 373.796 3.709 0 1 FHAF COc1cc2c(C(=O)N3CCCCCC3)cn(C(C)C)c(=O)c2cc1OC 1857757141 RXQXLILGMJEYLC-UHFFFAOYSA-N 372.465 3.616 0 1 FHAF CCOC(=O)C1=C(N)Oc2c(ccc3c2CCN3)[C@@H]1c1cccc(Cl)c1 1857765779 RCHJYBPTTUAXHR-INIZCTEOSA-N 370.836 3.566 0 1 FHAF c1cc(-c2cc(N3CCNCC3)nc3sc4c(c23)CCCC4)ccn1 1911573568 QYGVSGKQZXVLLH-UHFFFAOYSA-N 350.491 3.647 0 1 FHAF C[C@H](CCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 2356484961 NRXYKCLIMLPUIO-BFMVXSJESA-N 374.518 3.624 0 1 FHAF COC(=O)C[C@H](C)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](O)[C@]2(C)O 2356553249 SIPUAJNOWFIDSZ-TZOOJHKXSA-N 354.531 3.930 0 1 FHAF O=C(Cc1ccccc1)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 198422134 XJHRZIVGSPMPFJ-GOSISDBHSA-N 367.399 3.887 0 3 FHAF CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc(OC)ccc2[C@H]1C 1545943 HONGXMZKVFQXBV-CYBMUJFWSA-N 352.438 3.526 0 1 FHAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCC(=O)O)[C@@H](O)C[C@@H]1O 2356345349 ODXIHYQVXXYLQK-JPLJXNOCSA-N 374.518 3.626 0 1 FHAF COc1cc(Nc2ncnc3c2oc2cccnc23)cc(OC)c1OC 103244382 GGNAPQLKQZZUNJ-UHFFFAOYSA-N 352.350 3.540 0 1 FHAF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1OC(=O)c1cccnc1 103204261 KWUXXZVUVBCBOA-OXFYSEKESA-N 353.374 3.615 0 1 FHAF CCOC1(OCC)[C@H]2c3ccc(OC)cc3[C@H]([n+]3ccccc32)C1(C)C 27517817 NVFLNAMHCOOEHX-PMACEKPBSA-N 354.470 3.827 0 1 FHAF CC1(C)OC(=O)C(Sc2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1 26939498 KFKIOJSNPDLTTQ-UHFFFAOYSA-N 374.483 3.929 0 1 FHAF COC1=CC=C(C[C@@H]2NCCc3c2n(C)c2ccc(C)cc32)C[C@@H]1OC 26671620 MEAYKEROHTYIJB-RXVVDRJESA-N 352.478 3.939 0 1 FHAF Cc1ccc(N2CCN(CC[C@H]3c4ccccc4C(=O)N3C)CC2)cc1C 29243964 XFXYHGUUKCNNDR-QFIPXVFZSA-N 363.505 3.642 0 1 FHAF COc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4o3)C2)c1 2356538620 LMYLYIPDWSHCIX-LPHOPBHVSA-N 356.397 3.576 0 1 FHAF COC(=O)C[C@H](C)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]12C 2356667814 QITUJLTUQMLIPF-GANPKANLSA-N 352.515 3.708 0 1 FHAF O[C@H](CNCc1ccccc1F)Cn1c2c(c3ccccc31)CCCC2 73157253 QWUKAZDQBKYARM-QGZVFWFLSA-N 352.453 3.810 0 1 FHAF CN1CCN2c3ccc(Cl)cc3C(c3ccccc3Cl)=NC[C@@H]2C1 36080403 IRGZDKKZLNATHN-CQSZACIVSA-N 360.288 3.965 0 1 FHAF Brc1ccc2nc(/C=C/c3ccccc3)n3nnnc3c2c1 1911581842 JBFXBUSXFPEXCG-RMKNXTFCSA-N 352.195 3.605 0 1 FHAF O=C(NCC1CCOCC1)c1cnc(Nc2cccc(F)c2)cc1C1CC1 40934468 PDIYGSQRAFCEIJ-UHFFFAOYSA-N 369.440 3.998 0 1 FHAF COc1ccc([C@@H]2N(C(C)=O)N=C3c4cc(OC)ccc4CC[C@@]32C)cc1 84669556 KMSGPTLHBMKRCL-VXKWHMMOSA-N 364.445 3.964 0 1 FHAF Cc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2cccc3[nH]ccc23)c(C)c1 148291393 NTISAFDHJRPFCN-INIZCTEOSA-N 372.490 3.839 0 1 FHAF COC(=O)CCCCN(C)[C@]1(c2ccccc2Cl)CCCCC1=O 96911387 FRANGXMVILSKAR-IBGZPJMESA-N 351.874 3.954 0 1 FHAF COc1cc(OC(C)=O)ccc1-c1oc2cc3c(cc2c1C=O)OCO3 40414209 GPYDUSJZIYFWHD-UHFFFAOYSA-N 354.314 3.575 0 1 FHAF biogenic Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCC5)nc34)cc2)cn1 653838514 KDZLCWBDQVILHC-UHFFFAOYSA-N 369.428 3.543 0 1 FHAF CCCn1c(Br)nc2c(NCCc3ccccc3)ncnc21 653783804 YQBFVKMIEBRWHH-UHFFFAOYSA-N 360.259 3.653 0 1 FHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 587241779 JDMOZHILOPGEAC-MRXNPFEDSA-N 351.410 3.938 0 1 FHAF Fc1ccc(-c2nc3cnc(Br)cc3[nH]2)nc1Br 587155490 MJVLSWDVKLYIEN-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587511616 QRRPBQFPLYKDJA-VJBWXMMDSA-N 367.489 3.971 0 1 FHAF COCCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574027 AEZRBWDJYJFSHY-NQIIRXRSSA-N 365.385 3.543 0 1 FHAF COC(=O)c1cc(OC)n(-c2ccc(O)c(-c3ccccc3)c2)c1OC 587924930 CDRHQCZAQBRZRI-UHFFFAOYSA-N 353.374 3.654 0 1 FHAF C[C@@]1(c2ccc(Cl)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552466 RRGNXSMGAKZUBB-APWZRJJASA-N 368.776 3.713 0 1 FHAF CN(C)CCCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569243 FYFNBPKFBJUXGG-NQIIRXRSSA-N 355.434 3.844 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(OCCCN(C)C)c1)[C@@H](C2)C3=O 587428935 NPUUJFLVIKEGIM-PGRDOPGGSA-N 367.445 3.514 0 1 FHAF C[C@]1(C(=O)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602936 LREDZRUGHWQBHL-GCJKJVERSA-N 360.365 3.995 0 1 FHAF Cc1ccc2c3c(c4c(nc13)-c1c[nH]c(=N)nc1CC4)-c1ccccc1C2=O 587098089 NDMZJJCLTXXAME-UHFFFAOYSA-N 364.408 3.723 0 1 FHAF CCn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2N2CCOCC2)c(C)n1 587632188 RZMAUORUZXNMAM-UHFFFAOYSA-N 362.836 3.989 0 1 FHAF O=C(CCc1cc2c(O)nc(O)nc2nc1-c1ccccc1)c1ccccc1 587560906 IOWAJNRWHIUWNL-UHFFFAOYSA-N 371.396 3.919 0 1 FHAF CCOC(=O)[C@H](C)[C@@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962716955 UHCDVYFLLRVLOP-NJSLBKSFSA-N 351.487 3.604 0 1 FHAF CC(C)c1nn(C)c2c1[C@@H](c1ccc(Br)c(F)c1)NCC2 962921411 TUHXICFFRSMDGM-MRXNPFEDSA-N 352.251 3.680 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1c(F)ccc(Cl)c1F)NCC2 962933075 HBCCTLKQVSWZJH-KRWDZBQOSA-N 350.796 3.555 0 1 FHAF COc1ccc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2C)cc1OC 15217742 JRYJEMVPVZEOPW-IDVZPQIDSA-N 356.418 3.955 0 1 FHAF endogenous,in-man CC[C@H]1[C@@H](OC(=O)NCc2ccccc2)C[C@@H]2CCN3C(=O)CCC[C@H]1[C@H]23 15935326 MPTINIVPLHSKDQ-KKKDIUQISA-N 370.493 3.729 0 3 FHAF COc1cccnc1C1CCN([C@@H]2CCCN(c3ccncc3)CC2)CC1 1857548778 UZQMOVXSJNXSIN-LJQANCHMSA-N 366.509 3.724 0 1 FHAF CCCCNC(=O)c1c(NC(=O)c2ccc(Cl)cc2)nc2ccccn12 1857598391 VNVVWOQLBMXIHG-UHFFFAOYSA-N 370.840 3.770 0 1 FHAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl 4309472 VJMRSAOJZSLDHY-OSLXUSTOSA-N 357.624 3.781 0 1 FHAF CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773466 GBIPSSHFVFWLCK-INIZCTEOSA-N 354.381 3.648 0 1 FHAF CCNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1 103242311 ZKLYQVGQKCJXRD-UHFFFAOYSA-N 365.477 3.577 0 1 FHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1c(F)cccc1Cl 100018871 KBVQWNQUDGWFCF-XYGUXCPDSA-N 353.777 3.900 0 1 FHAF CC[C@H](C)n1c(=O)c2cnc3c(OC)cccc3c2n(C2CCCC2)c1=O 117790768 NBFTZVSMVCSLPI-ZDUSSCGKSA-N 367.449 3.806 0 1 FHAF CCCNc1nc(C)c(C(=O)Nc2cc(C(=O)NCC)ccc2C)s1 29041480 LOAVGPVCMJLVCB-UHFFFAOYSA-N 360.483 3.584 0 1 FHAF CN[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cn2)C1 28125489 DOKSQMPMAHUKLJ-NRFANRHFSA-N 372.472 3.799 0 1 FHAF CN(C)C[C@@H]1CCCC[C@]1(O)c1cccc(OC(=O)c2ccccc2O)c1 34034063 OLXCPJRIWXIFTH-JTSKRJEESA-N 369.461 3.551 0 1 FHAF COCCN1C(=O)COCc2cc(-c3cc(Cl)ccc3OC)ccc21 74375499 PTRAVDGQYRMOSK-UHFFFAOYSA-N 361.825 3.525 0 3 FHAF CN1CC[C@]2(Cc3ccccc3CN(C(=O)Cc3cccc(Cl)c3)C2)C1 71993218 CEUDBFYIGUKTLN-QFIPXVFZSA-N 368.908 3.789 0 1 FHAF COc1cc(O)c([C@H]2COc3cc(O)ccc3C2=O)cc1CC=C(C)C 14819434 QRGFRUURCOOJEV-QGZVFWFLSA-N 354.402 3.974 0 1 FHAF biogenic Cc1cccc(NC(=O)Nc2ccc(-c3cnc4ccnn4c3N)cc2)c1 40915281 QQKMHMVISILPIQ-UHFFFAOYSA-N 358.405 3.931 0 1 FHAF CC(C)=C(c1cc(Cl)ccc1OC[C@@H](O)CNC(C)C)n1ccnc1 40641294 CUKJUMZIHFFAJF-INIZCTEOSA-N 363.889 3.573 0 1 FHAF O=C1CS(=O)(=O)[C@H](c2ccccc2)N1c1ccc(-c2ccccc2)cc1 95784744 SWZWKXBIBQZODQ-OAQYLSRUSA-N 363.438 3.814 0 1 FHAF CC1=CC[C@@H]2[C@@H](C)CC[C@@H]3[C@@H](CC(=O)O)[C@@H](O)[C@@]4(C)CC(=O)[C@H]1[C@H]4[C@@]23C 238759535 ZSUVPFNZNXWINV-XWYKYBJYSA-N 360.494 3.682 0 1 FHAF COc1c([C@H]2COc3cc(O)cc(O)c3C2=O)ccc2c1C=CC(C)(C)O2 59729243 OZWAYRPZCFAHRV-CQSZACIVSA-N 368.385 3.650 0 1 FHAF biogenic C[C@@H](Cc1ccc(Cl)cc1)N1C(=O)CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 299849122 XRMFYWPUUCWBAI-QEWYBTABSA-N 374.868 3.641 0 1 FHAF C[C@@](O)(CSc1nc2sccc2c(=O)n1C1CC1)c1ccccc1 653740707 OLNJHIYRMPFNMP-GOSISDBHSA-N 358.488 3.793 0 1 FHAF C[C@@H]1CN(C2CC2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350471 ZJKJUGDWGCWFDC-ZTHZXAOBSA-N 367.420 3.743 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@]1(C(=O)O)C2(C)C 587493005 ZZEPCSVCSNLTCL-YFMVFKIRSA-N 358.434 3.960 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cncc1Br)O2 587385265 BOWAJFYZDRYKJW-ZDUSSCGKSA-N 351.175 3.580 0 1 FHAF COC(=O)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587809418 RILNEAFHBPZFAX-QAGHZCBJSA-N 370.262 3.681 0 1 FHAF Clc1ccc(C2=C[C@H](c3nc4cc5c(cc4[nH]3)OCCCO5)ON2)cc1 587076587 MXWVNMDPSQPUJU-GOSISDBHSA-N 369.808 3.995 0 1 FHAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccc(C)c4[nH]3)CC2)cc1 586954544 FIZRDVDOJWXLMA-UHFFFAOYSA-N 369.490 3.748 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)cn2)N1 587706655 RMZZSWCWDFIUOA-UOWDBTKRSA-N 356.626 3.655 0 1 FHAF CC(=O)c1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 587040099 ZTEBFGYBNAWBKV-UHFFFAOYSA-N 359.411 3.631 0 1 FHAF CC(C)n1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587757163 GALYBMMHGVHIIW-QFYYESIMSA-N 352.251 3.989 0 1 FHAF Cc1ccc([C@]2(CN)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587579453 NOJOIRJEODFITN-KNQAVFIVSA-N 361.397 3.516 0 1 FHAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(CO)cc2[nH]1 587166870 CIYKJCSNLSPWOL-KRWDZBQOSA-N 354.385 3.563 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1-c1ncnc2sc3c(c12)CCC3 587653782 KYMUZZMJDPFWNL-UHFFFAOYSA-N 354.822 3.533 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nonc23)N1 587796855 QUPGRDCIAPMVSU-AYVTZFPOSA-N 362.202 3.748 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2cccnc2)(C2CCNCC2)N1 962946332 LLEBIIBHCWBXAZ-JPYJTQIMSA-N 360.505 3.730 0 1 FHAF C[C@]1([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)CCCS1 962636891 KCMHSCYLTQBZST-DBVUQKKJSA-N 356.491 3.660 0 1 FHAF C[C@@]1(Cc2ccc(Br)cc2F)NCCc2ccc(O)cc21 963351583 GXWVJSQLDHODOA-KRWDZBQOSA-N 350.231 3.897 0 1 FHAF C[C@]1(c2ncc(Cl)cc2Br)NCCc2ccc(O)cc21 963328402 FPWNVHAYJWVBDG-HNNXBMFYSA-N 353.647 3.612 0 1 FHAF CS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCCCCC2)cc1 13560509 WQGQTFVBTHEUHB-UHFFFAOYSA-N 362.495 3.731 0 1 FHAF COc1cc2cc3c(c(O)c2c(O)c1/C=C/C(C)C)C(=O)C[C@@](C)(O)C3 14883292 QEMNROQOCQGNHL-LYSGITKLSA-N 356.418 3.809 0 1 FHAF CO[C@@]1(C)C[C@H]2N(C(=O)c3ccccc3)N=C(c3ccccc3)C[C@@]2(C)O1 17212999 NLFKESWQOLYPFY-CEMLEFRQSA-N 364.445 3.847 0 1 FHAF O=C1COCc2ccc(-c3cccc(CO)c3)cc2N1CCc1ccccc1 206018803 YOBDHRPBPNNIND-UHFFFAOYSA-N 373.452 3.952 0 3 FHAF CC(=O)Nc1ccc2nc(O)n([C@H]3CC[C@H](C(C)(C)F)CC3)c(=O)c2c1 1857544625 WKQVEEGWCPTJKC-MQMHXKEQSA-N 361.417 3.540 0 1 FHAF COc1ccc(-n2ccc(O[C@H](C)COc3ccccc3)cc2=O)cc1 1857611846 NUESXZYGSOAJKX-MRXNPFEDSA-N 351.402 3.692 0 1 FHAF Cc1cc2ncc(-c3ccnc(SCC(=O)C(C)(C)C)n3)c(C)n2n1 1038397 XCFWJOZRLOUKBY-UHFFFAOYSA-N 355.467 3.510 0 1 FHAF CN1CC[C@H](c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)C1 6013424 GYFABGMYDPKBEU-AWEZNQCLSA-N 374.893 3.951 0 1 FHAF COc1ccc(C2=C[C@H](COC(=O)c3ccc(Cl)cc3)OC2=O)cc1 6484243 JLAGAQHIHOBYPK-MRXNPFEDSA-N 358.777 3.514 0 1 FHAF C[C@@]12CC[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 7997638 XZTUSOXSLKTKJQ-CSPOUQCHSA-N 374.521 3.604 0 1 FHAF CC(C)[C@@H]1C(=O)C2=C3C4=C5C(=CCC[C@@]5(C)CC[C@]31C)C(=O)N4CCO2 15265344 XEMIVKIPBNRHQX-GBSMKCJWSA-N 353.462 3.749 0 1 FHAF biogenic CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4[C@H]5CCO[C@H]5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 29212047 RHAGZIUYLFSMDE-GIFKPNJNSA-N 362.510 3.702 0 1 FHAF O=C(c1ccc(Cl)cc1)c1cc(Cc2ccc(=O)[nH]n2)cc2ccoc12 40395592 MFQQDPLHFTYLGU-UHFFFAOYSA-N 364.788 3.991 0 1 FHAF c1ccc(-c2cn(-c3ccc4[nH]ncc4c3)nn2)c(NCc2ccncc2)c1 40874286 GREWWCXABQVHPU-UHFFFAOYSA-N 367.416 3.818 0 1 FHAF C[C@@]1([C@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(F)cc2)C1=O 72178076 MATLSIAJUHWSQN-PBHICJAKSA-N 365.813 3.620 0 1 FHAF CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccccc2)n1 82214687 PLDYMBWEENIJER-YJBOKZPZSA-N 352.482 3.908 0 1 FHAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)N(C)C)cc1 95589352 XVYVJUKUAYSJOQ-UXKPLKHMSA-N 367.445 3.984 0 1 FHAF O=C(c1cccc(-c2cccc(C3CCCCC3)c2O)c1)[PH](O)(O)O 169730449 UYLPVQCELYNRJI-UHFFFAOYSA-N 362.362 3.719 0 1 FHAF NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 206051192 PRKXYBUUUINRTA-UHFFFAOYSA-N 356.385 3.581 0 1 FHAF CCc1cc(C)c2[nH]ccc2c1[C@@](C)(NC)c1nc2ncc(C#N)cc2[nH]1 219492996 HYWUNGUFGLSNOH-OAQYLSRUSA-N 358.449 3.665 0 1 FHAF Oc1nc2sccc2c(NC2CCNCC2)c1-c1nc2ccccc2[nH]1 299824273 GLRJALDZUZJDJY-UHFFFAOYSA-N 365.462 3.709 0 1 FHAF CCOC(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 299870332 SRWMNPAYNHYCEU-QAMYQUNZSA-N 356.462 3.997 0 1 FHAF in-vivo CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)s1 587022888 CUHHXXXRGQHCMW-GFCCVEGCSA-N 374.426 3.757 0 1 FHAF CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3ccsc3)[nH]c2c1 587026180 SCKHSFUKGVNMFD-QPJJXVBHSA-N 361.492 3.873 0 1 FHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)cnc4[nH]3)cc2N1 587126698 MCKUMAJICBCBBW-WKEGUHRASA-N 356.739 3.782 0 1 FHAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(O)ncnc3[nH]2)c(F)c1 587144000 DSKJMVXRTUERNM-UHFFFAOYSA-N 364.336 3.538 0 1 FHAF Cc1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2c1 587259483 IPLCFUQGBKMPOD-INIZCTEOSA-N 352.438 3.578 0 1 FHAF C[C@H]1CN(C)[C@H](C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342482 DYHHJLDAQXTLRW-WPCGYXSLSA-N 369.436 3.989 0 1 FHAF C[C@]1(C2=COCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360812 WONXRZATRZKUFW-AZUAARDMSA-N 356.349 3.537 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Br)ccc1F)O2 587386621 VNUQZIOKBNGPJD-GFCCVEGCSA-N 351.175 3.580 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCCCC4)s1)[C@@H](C2)C3=O 587454363 WKNIOTYEPVXBQE-SCLBCKFNSA-N 356.447 3.631 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1F 587555191 FULWODBWOVRBIB-YLJYHZDGSA-N 352.317 3.940 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn2nccc12 587584931 CBLFIBZLBMMLLU-RXVVDRJESA-N 358.353 3.743 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2F)N1 587730131 WUFSNEJMNJTGSZ-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF C/C(=C\[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)NC1CC1 587740007 CAPLTFICFHMFFS-SHIHGYNVSA-N 353.279 3.993 0 1 FHAF CCc1nn(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587765807 UHRMESIGLNCAEB-JDNHERCYSA-N 352.251 3.508 0 1 FHAF Cc1cnc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587768998 FUWURSJQLGEANJ-HUTHGQBESA-N 364.262 3.793 0 1 FHAF Cc1cc2cc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)ccc2[nH]1 1772578224 QIASHDRGDBMNGW-UHFFFAOYSA-N 355.401 3.957 0 1 FHAF O=C1[C@@H]2C=CC=C[C@@H]2[C@H](c2ccc3c(c2)OCO3)N1c1ccc2nc[nH]c2c1 1772652133 UHULLJMZEXMKEN-MRUHUIDDSA-N 371.396 3.738 0 1 FHAF O=C(O)Cc1cn2nc(-c3cccc(OCc4ccccc4)c3)ccc2n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c1ccc(Br)cc1S2(=O)=O 36388415 ZBHJNVWDNOPZEP-OLZOCXBDSA-N 355.253 3.534 0 3 FHAF C[C@@H]([C@@H](O)c1ccc2c(c1)CC(=O)N2)N1CCC(Cc2ccccc2)CC1 598161 FCXXSNGUDWIOQU-QMHKHESXSA-N 364.489 3.558 0 1 FHAF Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2=CCCC2)c1 6521895 JTVGTLWDQVRWPA-UHFFFAOYSA-N 366.461 3.618 0 1 FHAF CCOc1ccc(CNc2nc3nc(-c4ccccc4)cc(O)n3n2)cc1 6752698 JWBLHZKKZGODSD-UHFFFAOYSA-N 361.405 3.508 0 1 FHAF Cc1cc(C(N)=O)ccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 101363787 DIBOAEDLUWGCBT-PMOLBWCYSA-N 350.462 3.668 0 1 FHAF CCOc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1OC 8581978 AAHKGRWRYBCWDL-UHFFFAOYSA-N 353.426 3.598 0 1 FHAF CCOc1ccc(C[C@H]2CC(c3ccc(OC)cc3OC)=NO2)cc1OC 103213600 SMZAMPMSBLUVOI-INIZCTEOSA-N 371.433 3.847 0 1 FHAF C[C@@H](c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cccc[n+]1[O-] 27526648 HVFPXQODCNVQMR-VIFPVBQESA-N 365.760 3.527 0 1 FHAF NCCN1[C@H]2CC[C@H]1CC(NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101060901 DEBMLCCWWGKBJP-SFTDATJTSA-N 371.475 3.598 0 1 FHAF C[C@]1(C(=O)NC2CCCCCC2)CCN1C(=O)C1(c2ccccc2)CC1 61927265 DZSHVIOAMQPGBN-OAQYLSRUSA-N 354.494 3.548 0 3 FHAF C[C@@]1(C(=O)NCCc2ccccc2)Cc2c(-c3ccccc3)ccnc2O1 61907427 DCJXQKBWLCSAGO-QHCPKHFHSA-N 358.441 3.801 0 3 FHAF O=C(c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1 28874960 FRBJVLSQTZFTED-UHFFFAOYSA-N 351.427 3.718 0 1 FHAF in-vivo C[C@@](O)(c1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1)C(F)(F)F 64235679 PBTLIUUMEYQLCW-CQSZACIVSA-N 364.772 3.943 0 1 FHAF C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1)c1ccccc1 36387731 PQZZFYSFCMAQMG-GFCCVEGCSA-N 368.824 3.806 0 3 FHAF CC[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)N(C)c1ccc(Cl)cc1 38929821 ABANHPVMOWARPS-WFFDWFOESA-N 350.890 3.723 0 1 FHAF CN(CCCc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccn1 40915868 UHNBBKCHPZLRHF-FQEVSTJZSA-N 363.461 3.821 0 1 FHAF Nc1nc2c(s1)[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)CCC2 220871659 OYGYPTFWDIYVCY-JTQLQIEISA-N 356.278 3.768 0 1 FHAF Cc1cccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)c1 140107866 JMBIWKMJFJTHAE-UHFFFAOYSA-N 353.429 3.999 0 1 FHAF CN(CC[C@H](c1ccc(F)cc1F)N1CCOCC1)Cc1ccccc1 148976521 GPZZVYRXCADSAJ-OAQYLSRUSA-N 360.448 3.860 0 1 FHAF CCO[C@@H]1C[C@@H](O)C2=C3c4cccc(O)c4C(=O)C[C@@H]3c3ccc(O)c1c32 85925151 DSVFBOXMAJTYHV-CSMYWGQOSA-N 364.397 3.534 0 1 FHAF biogenic CCc1cnc(Oc2ccc(NC(=O)c3ccncc3N)cc2Cl)nc1 653852818 KSPDJPOUSYZYOV-UHFFFAOYSA-N 369.812 3.714 0 1 FHAF COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC(F)F)c1 587421826 MBZXLOPJBXUXRA-FZKQIMNGSA-N 362.328 3.794 0 1 FHAF Cc1nn(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587699920 SYVQOGQWAKEPFS-UOWDBTKRSA-N 372.669 3.907 0 1 FHAF CC(C)CCOC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598451 UTUZRPHOFGKLAS-LAUBAEHRSA-N 370.401 3.702 0 1 FHAF COc1cccc([C@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587437040 VRWVAVFLNVMOFM-AUSIDOKSSA-N 373.408 3.790 0 1 FHAF CSc1ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 587193505 BZMYWEBFEQISDO-AWEZNQCLSA-N 364.515 3.802 0 1 FHAF CC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)c1 587577170 MOTRVJLHRFUQGG-WIYYLYMNSA-N 363.369 3.636 0 1 FHAF C[C@]1([C@@H]2CCCNC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346141 LGIPNAHYOGZODA-YFZFPPMRSA-N 355.409 3.649 0 1 FHAF Cc1ccc([C@]2(CN)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587749656 PXVNYPKCWMAUKP-XIKOKIGWSA-N 363.274 3.633 0 1 FHAF CC(C)[C@]1(c2nccn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754371 LXLCJDFLDXBSSO-GTNSWQLSSA-N 366.278 3.756 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)nc1F 587572497 VNGKUHMRCNACAK-YJBOKZPZSA-N 355.296 3.768 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(C=O)c2)N1 587820799 FJTOZFGALHARJO-VVVCHXIZSA-N 364.214 3.730 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587936947 NDOIWPMOYLLTFV-JDNHERCYSA-N 362.332 3.730 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cncc2F)N1 587736438 VXWYNPJYBGPKBZ-KWKYVRJSSA-N 357.173 3.885 0 1 FHAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(O)c1OC 587521517 CFELEIRLHHDFCE-SFHVURJKSA-N 354.402 3.995 0 1 FHAF CC(C)(C)OC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598557 YDBPVRYHRNQVFB-DYESRHJHSA-N 370.401 3.844 0 1 FHAF CCCc1ncc([C@H]2c3ccsc3CCN2Cc2cccn2C)cn1 962380660 XRKRJEKUQDYPEW-FQEVSTJZSA-N 352.507 3.977 0 1 FHAF CC(C)c1nn(C)c2c1[C@@H](c1ccc(F)c(OC(F)(F)F)c1)NCC2 962923073 URJWRUJXHBXJFF-MRXNPFEDSA-N 357.351 3.816 0 1 FHAF O=C1OC2(C[C@H]1C1(O)C3CC4CC(C3)CC1C4)C1CC3CC(C1)CC2C3 5566586 LLHZVXNVHFKRNL-XTPJQFLNSA-N 356.506 3.932 0 1 FHAF CCOC(=O)CCc1ccc(Oc2cc(/C=C/C(=O)OC)ccc2O)cc1 13383422 RPIFZBLUZMLYHZ-XYOKQWHBSA-N 370.401 3.866 0 1 FHAF biogenic,in-vitro CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2ccccc21 13471171 FVZCUOAEJAWIKG-XMMPIXPASA-N 374.484 3.764 0 1 FHAF C[C@H]1C2=C(CC=CC2)C(=O)N1CC1CCN(CCc2ccccc2)CC1 13475700 GFEHKHWLVNFFRC-SFHVURJKSA-N 350.506 3.818 0 1 FHAF COc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1 14962698 RULBQJYTXYLQOK-ZDLGFXPLSA-N 374.400 3.674 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Br)c(Cl)c2)C[C@@H]2CC[C@@H]1N2C 169349249 CKYZQAZVIFDTJK-JLUCKKNBSA-N 372.690 3.842 0 1 FHAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)N1CCC1 169720789 IROBRIAPKMUEAZ-HZPDHXFCSA-N 363.248 3.734 0 1 FHAF COc1cc(-n2c(O)c3c(c2O)[C@]2(C)CC[C@]3(C)O2)ccc1-c1cnco1 169727154 JHNPBNMMBIQXHB-PMACEKPBSA-N 368.389 3.807 0 1 FHAF Cc1cc(NC(=O)Cn2nncc2-c2ccccc2)n(C2CCCCC2)n1 1857551852 OMLKEGKBIMPMII-UHFFFAOYSA-N 364.453 3.594 0 1 FHAF Cc1cccc(CN2CCN(C(=S)Nc3cc(C)cc(C)n3)CC2)c1 1857753015 IKUNQLFLXBIGIL-UHFFFAOYSA-N 354.523 3.521 0 1 FHAF O=C(CSc1nnc(Cc2ccccc2)o1)Nc1nc2ccccc2o1 1857758386 JXRGBAICJQVWPI-UHFFFAOYSA-N 366.402 3.532 0 1 FHAF NS(=O)(=O)c1ccc(C2=C(c3cc(F)c(F)c(F)c3)CCC2)cc1 13744270 DVFONKNOKNLESB-UHFFFAOYSA-N 353.365 3.846 0 1 FHAF CC(=O)C(=O)N(c1ccccc1C(=O)O)c1ccccc1N1CCCCC1 103222620 WVLFFIICCPOJOF-UHFFFAOYSA-N 366.417 3.629 0 1 FHAF CCCN1C(=O)c2ccccc2[C@@]1(O[C@H]1CC[C@H](O)C1)c1ccc(F)cc1 66128614 QBTWQHLSEJRMBJ-SPEDKVCISA-N 369.436 3.823 0 1 FHAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)sc2c1 28644475 VJTHKHCHTCXNAV-UHFFFAOYSA-N 373.430 3.749 0 1 FHAF C[C@@H]1[C@H](O[C@]2(C)OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H]2C)OC(=O)[C@H]2[C@H](C)CC[C@@H]21 2356629505 HXFBSJZTEMCZFX-HEXRXQFTSA-N 364.482 3.756 0 1 FHAF CSC[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 61923646 GOGRRMCILXKOIY-CRAIPNDOSA-N 354.475 3.657 0 3 FHAF CC1=C(C(=O)OC(C)C)[C@H](c2ccns2)N2C(=N1)Nc1ccccc12 1911576125 ORPHSPQPSURTFX-INIZCTEOSA-N 354.435 3.712 0 1 FHAF C[Si](C)(C)CC[C@](O)(Cn1cncn1)c1ccc(Br)cc1 196062079 NUFCJUSUINRZQG-HNNXBMFYSA-N 368.351 3.657 0 1 FHAF COc1cccc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)c1OC 95755593 HHGZIJABTUKTIM-UHFFFAOYSA-N 374.418 3.893 0 1 FHAF O=C(OCC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 473090415 OTGCKJVBBQXLRK-UHFFFAOYSA-N 371.408 3.623 0 1 FHAF O=c1cc(-c2ccc(C(F)(F)F)cc2)[nH]c2c(-c3ccccn3)cnn12 653668352 QFJGNZPESFSISS-UHFFFAOYSA-N 356.307 3.770 0 1 FHAF C[C@@H]1C[C@]2(CC[C@H]1O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349214 FLKGSOKALSZGCP-ZGJUZXCWSA-N 356.393 3.810 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)c(OC)c1)[C@@H](C2)C3=O 587445338 VLCCGMPVHKCIQT-AOMKIAJQSA-N 365.429 3.793 0 1 FHAF CC[C@]1(c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587758117 POZRUBQGOVKJBE-BTDLBPIBSA-N 366.278 3.818 0 1 FHAF Cc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1F 587038319 QOXYMIPUMCXXHD-JTQLQIEISA-N 371.441 3.758 0 1 FHAF FC(F)(F)c1ccn(CCc2nc3cccc(Br)c3[nH]2)n1 587118327 LTRUEACKYZAUKW-UHFFFAOYSA-N 359.149 3.783 0 1 FHAF CCCCCc1[nH]c2ccc(F)c(Cl)c2c1C(=O)N[C@@H]1CCOC1=O 587630936 FHVANCRNMCDWCZ-CYBMUJFWSA-N 366.820 3.738 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccn3)c1Cl)O2 587380275 SKJPIWHPPSUHPD-HNNXBMFYSA-N 368.824 3.826 0 1 FHAF Cc1ccnn1C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587760758 QLEMSEYPKHUKDR-HWPZZCPQSA-N 352.251 3.543 0 1 FHAF Clc1cnn(COc2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)c1 587082517 RGFQHNUSKLEGIV-UHFFFAOYSA-N 368.780 3.845 0 1 FHAF Cc1cc(Br)c2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc2c1 587093807 HDTWSGWKNZNCKL-ZETCQYMHSA-N 364.165 3.763 0 1 FHAF Cc1nccc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 586997078 ASTWPGYDCXSLBC-IHWYPQMZSA-N 358.195 3.928 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)c(F)c(N)c3F)nc2c1 587137231 VISASVSFULPIAV-UHFFFAOYSA-N 355.703 3.669 0 1 FHAF CC(C)(C)OC(=O)Nc1c(C2CC2)[nH]c2ccc(S(C)(=O)=O)cc12 587650589 OJAFJYRPKDNDFH-UHFFFAOYSA-N 350.440 3.796 0 1 FHAF CC[C@@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]1C 587355902 GVZMMTXUGKNCRZ-GMICNFFISA-N 370.376 3.601 0 1 FHAF CC(C)N1C[C@@H](C)[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587759330 FXDITXIYUBGMEI-QFSBIZTOSA-N 355.295 3.678 0 1 FHAF CN(C)Cc1ccc(-c2cnc(NCc3cccs3)n3cnnc23)cc1 1772602606 OXNNFTKMVOEGMX-UHFFFAOYSA-N 364.478 3.527 0 1 FHAF OCCCNc1cc(-c2cncc(Nc3cccc(Cl)c3)n2)ccn1 13612177 FANRZXFLTSHAKQ-UHFFFAOYSA-N 355.829 3.730 0 1 FHAF CCc1cc(-c2ccsc2)cc(S(=O)(=O)c2cnc(CN)s2)c1 1857543537 JAADYFPVUWHICL-UHFFFAOYSA-N 364.517 3.726 0 1 FHAF O=C(NCc1ccncc1)c1cc(C(=O)c2cccc(Cl)c2Cl)c[nH]1 1857545149 ICWKCGCHCWYISU-UHFFFAOYSA-N 374.227 3.878 0 1 FHAF O=C1NC(=O)[C@@H](Cc2cnc3cc(OCc4ccccc4)ccc3c2)S1 1485591 AZKFGOQRYCSQPK-GOSISDBHSA-N 364.426 3.708 0 1 FHAF in-vivo COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4055351 QAEZLBCBRWDDSB-MJGOQNOKSA-N 372.852 3.585 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCO 4213692 CUQZUIVGIAJNPV-SJORKVTESA-N 370.852 3.602 0 1 FHAF CCn1cc(NC(=O)N[C@@H]2CCc3ccccc32)c(=O)c2ccc(C)nc21 6746994 UYEIPAJJRGUQHN-QGZVFWFLSA-N 362.433 3.534 0 1 FHAF CN1c2ccccc2Oc2nnc(N3CCN(c4ccccc4)CC3)cc21 6786387 ZIEUQXQIQWYZKF-UHFFFAOYSA-N 359.433 3.677 0 1 FHAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@@H](CCC(=O)O)C(=O)O 13742385 BLLKEMRRIDEHKU-QNKSZLNVSA-N 365.470 3.840 0 1 FHAF O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCCN(C2CCOCC2)C1 15073873 FVKAIFNJIJHBMV-MRXNPFEDSA-N 371.506 3.640 0 1 FHAF Cn1nnnc1Sc1ncnc2scc(-c3cccc(Cl)c3)c12 36380183 UCPHDGROVFOLTK-UHFFFAOYSA-N 360.855 3.686 0 1 FHAF COc1cccc(CN2C[C@@]3(CC(C)(C)Oc4ccccc43)OCC2=O)c1 40379491 PMWVNEFERJUJDM-JOCHJYFZSA-N 367.445 3.511 0 1 FHAF Cc1ccc2oc(=O)c(Cc3c(O)c4cc(C)ccc4oc3=O)c(O)c2c1 45258649 DLPTXAHVYPPGPQ-UHFFFAOYSA-N 364.353 3.518 0 1 FHAF COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 45498312 QSNQXCLTDBTOIU-UHFFFAOYSA-N 357.425 3.677 0 1 FHAF OC[C@@H]1CCCN1Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 140353304 DNVVPFZYKKHGFR-KRWDZBQOSA-N 355.869 3.695 0 1 FHAF O=N[C@@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2ccc(Cl)cc21 169722199 ZCLHYILVMNBSNR-HNNXBMFYSA-N 362.744 3.700 0 1 FHAF CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(-c3nn[nH]n3)cnc12 205649094 CHILEOYFCZUBDL-UHFFFAOYSA-N 374.235 3.529 0 1 FHAF c1ccc2c(-c3ncnc4c3cnn4CCN3CCCCC3)cncc2c1 207162599 WGJJNLXFZBPSLW-UHFFFAOYSA-N 358.449 3.527 0 1 FHAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](N(C)C)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23CN1C 238734138 QESDNCVYXJTJRY-LJKLSJKCSA-N 372.597 3.780 0 1 FHAF O=c1nc(O)ccn1CCOc1ccccc1Oc1cccc2ccccc12 299838554 VEVWWSLWYLIBFO-UHFFFAOYSA-N 374.396 3.973 0 1 FHAF CN1CCC(C(=O)c2ccc(F)c(NC(=O)c3ccc(F)cc3)c2)CC1 473104911 PTPSZVFWHZLONY-UHFFFAOYSA-N 358.388 3.742 0 1 FHAF CN1CC[C@@](C)(O)[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587104434 HJFOVYBLQAOPMR-FDDCHVKYSA-N 358.441 3.616 0 1 FHAF COc1c(F)ccc(F)c1-c1nc2c(F)cnc(Br)c2[nH]1 587132315 AFOHUVKGAUIOPL-UHFFFAOYSA-N 358.117 3.813 0 1 FHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(Cl)cc2[nH]1 587203109 NRSUCXSTUMABNE-HNNXBMFYSA-N 373.796 3.659 0 1 FHAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cccc(C(C)(C)C)c2[nH]1 587225769 SYFKGFIMYOLGAV-CQSZACIVSA-N 351.450 3.944 0 1 FHAF COC(=O)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587231671 DSNZGVOZAXFRRS-UHFFFAOYSA-N 361.401 3.899 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](NC(=O)OC(C)(C)C)C1)O2 587389484 KSDWZTHMQKLMDM-ZUOKHONESA-N 360.454 3.749 0 1 FHAF CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441126 JCMWWYZQMRJOML-GZOOOWMASA-N 366.413 3.537 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3oc(=N)[nH]c3c1)CC2=O 587472976 PICUWYDFGDUZEE-HXUWFJFHSA-N 352.390 3.779 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C1)CC2=O 587474483 FMZMSTRPMDMGNC-FQEVSTJZSA-N 361.438 3.690 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3nc(O)[nH]c3c1)CC2=O 587488259 ZFMVXGWYJKMUOR-FQEVSTJZSA-N 352.390 3.807 0 1 FHAF Cn1ncc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587579595 FAEBPSNCIZQJSW-KNQAVFIVSA-N 372.380 3.982 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccncc2[nH]1 587589438 OQGRWLISWFVLQL-NQIIRXRSSA-N 358.353 3.971 0 1 FHAF CSc1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587614179 RBFYCTMSWHMTSE-YJBOKZPZSA-N 366.398 3.607 0 1 FHAF COCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587618543 UPBDYNVJMAVVTM-FXAWDEMLSA-N 352.342 3.835 0 1 FHAF CCc1nccn1C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755007 NPIJORDTTBIDND-GTNSWQLSSA-N 366.278 3.797 0 1 FHAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587774579 WQMRGBGGWCMPJO-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF CN(C)CCOc1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 587781101 PEZOPVWVXVQEND-TWGQIWQCSA-N 351.450 3.733 0 1 FHAF Cc1ncc(-n2c(O)cc(-c3ccccc3F)c2O)nc1Br 587940718 KYVHLLUVABMKQB-UHFFFAOYSA-N 364.174 3.556 0 1 FHAF COC(=O)[C@]1(c2c[nH]c3cc(F)ccc23)NCCc2cc(Cl)ccc21 963390327 HKHMFISACCXDPO-IBGZPJMESA-N 358.800 3.523 0 1 FHAF Cc1c(-c2ccc(N3CCN(C)CC3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772606471 IKXWWOFNVPVSEO-UHFFFAOYSA-N 369.415 3.534 0 1 FHAF O=C(CCN1CCc2ccccc2C1)Nc1cccc(OC(F)(F)F)c1 1857569238 CGYPOKDRNUIRKU-UHFFFAOYSA-N 364.367 3.972 0 1 FHAF O=C(O)c1ccccc1SCc1cn(CCCc2ccccc2)nn1 1857572404 IPEROFCEYLUPLB-UHFFFAOYSA-N 353.447 3.901 0 1 FHAF CC(C)(C)CN1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 2356305801 HYSBITGMWBFSHD-UONOGXRCSA-N 361.461 3.703 0 1 FHAF COC(=O)[C@]1(C)CCC[C@]23[C@H]4[C@H](O[C@H]2O)c2occc2[C@H](C)[C@@H]4CC[C@@H]31 2356565140 QHXCPQZUMLSNGR-XBSQHZLDSA-N 360.450 3.778 0 1 FHAF COc1cccc(C[C@@]2(CO)CCCN(Cc3cc4ccccc4[nH]3)C2)c1 13593993 HBDRUYIKYFKALI-QHCPKHFHSA-N 364.489 3.994 0 3 FHAF CC[C@H]1CCCCN1C(=O)CSc1ncccc1C(=O)OC(C)C 3048958 NMMMFPUXRGYSRK-AWEZNQCLSA-N 350.484 3.530 0 1 FHAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCO 4213664 PPDNJQXESFNZPJ-NHCUHLMSSA-N 368.477 3.962 0 1 FHAF O[C@H](Cn1c(Cn2nnc3ccccc32)nc2ccccc21)c1ccccc1 26258532 NCXSSYVYXNVLIX-OAQYLSRUSA-N 369.428 3.563 0 1 FHAF O=C(NCc1ccccc1)c1ccc(-n2sc3ccccc3c2=O)cc1 64586075 DYGUVFFVBFETJZ-UHFFFAOYSA-N 360.438 3.982 0 1 FHAF NC(=O)N1c2ccccc2C[C@H](OC(=O)c2cccnc2)c2ccccc21 26575756 XNFYWJBHABLCLD-IBGZPJMESA-N 359.385 3.753 0 1 FHAF CSc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1 29047460 QPYVOTKYHJQJIY-UHFFFAOYSA-N 365.418 3.566 0 1 FHAF O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 38463322 MBTBKQZQTIGPMG-UHFFFAOYSA-N 353.161 3.684 0 1 FHAF COc1cc(-c2cnc3ccc(NC(=O)NC(C)(C)C)nc3c2)ccc1O 72316155 ZCHJWXKREFTWSX-UHFFFAOYSA-N 366.421 3.931 0 1 FHAF O=C(CCCCCCc1ccccc1)c1ncc(C(=O)N2CCOCC2)o1 35259965 JJBQFKVDMOACJR-UHFFFAOYSA-N 370.449 3.523 0 1 FHAF COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2cccc(Cl)c2c1=O 40900446 HLKJKWZEWWFCSO-UHFFFAOYSA-N 351.793 3.763 0 1 FHAF C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)[C@H]2CCCN(C)C2)c1 40898681 NZKUMDPOFJTNBC-ZFWWWQNUSA-N 373.888 3.583 0 1 FHAF C[C@H]1CC[C@@H](O)C(C)(C)[C@@]12Cc1cc(C(=O)O)cc(Br)c1O2 40766919 NJMIHRXETPDQBA-VNQQYTOKSA-N 369.255 3.638 0 1 FHAF CCN1CCN(CCCCCOc2ccc(CN(CC)CC)cc2)CC1 49109959 GNJQUDFEDYEQKH-UHFFFAOYSA-N 361.574 3.715 0 1 FHAF COC(=O)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96173956 AKKBHYDWGOQCJA-UHFFFAOYSA-N 369.384 3.840 0 1 FHAF CN(C)C[C@@H]1OC(=O)C2=C1[C@H]1CC[C@@]34CC(=O)[C@@](C)(CC[C@H]3[C@]1(C)CC2)C4 2382216919 JZIFXWFIKCVSRD-DMTRFCGMSA-N 371.521 3.746 0 1 FHAF CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@H](C(N)=O)[C@@H]2c1ccc(Cl)cc1 299872470 MPGYYTRANFDYAU-PREXVCJDSA-N 360.885 3.611 0 1 FHAF CCOC(=O)Cc1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1 587056690 KXDZFNUWOLPDGR-OAHLLOKOSA-N 357.841 3.564 0 1 FHAF N[C@@H](Cc1nc2ccc(F)c(F)c2[nH]1)c1ccc(Br)cc1F 587144308 LKJHLKPYBANPSS-NSHDSACASA-N 370.172 3.985 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2cc(Br)ccc2[nH]1 586967351 UWLWZDVQRIYIAY-UHFFFAOYSA-N 364.224 3.564 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCOC1 587858543 JRPUYLJUJWNRNP-JTQLQIEISA-N 355.221 3.932 0 1 FHAF Cc1cncc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587004561 WVWWMJUTJSRDTC-SNVBAGLBSA-N 372.222 3.664 0 1 FHAF COc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1OC 587077016 QTYBFWZONQVKHA-QGZVFWFLSA-N 357.797 3.851 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c(CO)c1)CC2=O 587482724 VESVAALIARUCTN-FQEVSTJZSA-N 356.418 3.942 0 1 FHAF Cc1[nH]c2c(C(=O)O)cccc2c1-c1nc(-c2ccc3c(c2)OCO3)no1 587639258 QMHNQRRURJDQJC-UHFFFAOYSA-N 363.329 3.620 0 1 FHAF O=C1C[C@@H](c2ccccc2N2CCNCC2)Oc2c1ccc1c2CCCC1 587516195 ZWYKNRCEHSRHAI-QFIPXVFZSA-N 362.473 3.682 0 1 FHAF CCC[C@]1(CNC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428289 JKRCJKRQYQDCTE-JLTOFOAXSA-N 361.438 3.506 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC(C)=O)ccc1OC)CC2=O 587478899 KTQBUABUESTMGG-FQEVSTJZSA-N 370.401 3.985 0 1 FHAF FC(F)(F)c1ccccc1Cc1nc2nc(Br)c[nH]c-2n1 587098104 NKCKDYZUBAUDAN-UHFFFAOYSA-N 357.133 3.677 0 1 FHAF Cc1nc(Br)sc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 587011154 LLBCBLQSXMDCKS-UHFFFAOYSA-N 356.176 3.595 0 1 FHAF CCc1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2c1 586940954 LJAZDLLEYMCLKA-ZHACJKMWSA-N 355.463 3.524 0 1 FHAF COC(=O)c1occc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587828582 OJKGLPFTFVAEET-RTHLEPHNSA-N 368.202 3.591 0 1 FHAF CC[C@@]1(c2ccn(C)n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587762830 GJUCPICLTQIBNW-QFYYESIMSA-N 352.251 3.510 0 1 FHAF N[C@@H](Cc1nc2cccc(F)c2[nH]1)c1ccc(Br)cc1F 587142673 KMUQRJJRTJRDOY-LBPRGKRZSA-N 352.182 3.846 0 1 FHAF CC(C)O[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658147 ICZPBXYAKBUMPJ-ZDUSSCGKSA-N 354.381 3.656 0 1 FHAF CCOC(=O)[C@H](Sc1ncnc2sc3c(c12)CCCCC3)C(C)=O 958066024 UQTLUGJGLSXUPP-CQSZACIVSA-N 364.492 3.573 0 1 FHAF c1ccc(-c2nc3n(c2[C@@H]2NCCc4nc5ccccn5c42)CCS3)cc1 962989455 QENWHAUXJJCELR-GOSISDBHSA-N 373.485 3.539 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(Br)[nH]2)N1)C(F)(F)F 962761173 GVRZKXKOJZPOEH-WCQYABFASA-N 373.172 3.512 0 1 FHAF C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NC1COC1 1772600416 JJKNTWZITITEHD-SJORKVTESA-N 365.477 3.567 0 1 FHAF CNCc1cc(Br)cc(OCc2ccc3ccc(N)nc3c2)c1 1772641022 OZFKPMDWVUAQBH-UHFFFAOYSA-N 372.266 3.878 0 1 FHAF O=C1[C@@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(F)cc1 1772598218 KOQYBHVHTCKDIZ-NRFANRHFSA-N 368.452 3.512 0 1 FHAF CCOc1ccc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)cc1Cl 12711808 MABMETUFHHVSIN-RTBURBONSA-N 366.933 3.550 0 1 FHAF CN1CCCC[C@]12CCCN(C(=O)c1cccc(Br)c1)C2 1857579012 NVONPXVWJHNPKK-QGZVFWFLSA-N 351.288 3.540 0 1 FHAF c1nnc(SC2CCCC2)nc1-c1cnnc(SC2CCCC2)n1 1857600258 OMBGRQPAXLDAHG-UHFFFAOYSA-N 360.512 3.793 0 1 FHAF Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ncc12 1857628406 FQQAQMBKNVNIQY-UHFFFAOYSA-N 358.401 3.808 0 1 FHAF CCc1c(C)nn(CCNC(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C2(C)C)c1C 1857642201 GQZOLOMMBPRALU-MOPGFXCFSA-N 357.473 3.757 0 1 FHAF CC(=O)N1c2ccc(-c3cnn(C(C)C)c3)cc2N(C(=O)C2CC2)C[C@@H]1C 1857761735 OCYHSSHUJWVLMA-AWEZNQCLSA-N 366.465 3.629 0 1 FHAF CO[C@H]1C(=O)c2c(cc3c(c2O)C=CC(C)(C)O3)O[C@H]1c1ccccc1O 13380049 SHVNMDGYHQHAIC-PMACEKPBSA-N 368.385 3.613 0 1 FHAF biogenic CC1CCN(CCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 13531194 DOGKOAYINOKDKA-UHFFFAOYSA-N 358.507 3.861 0 1 FHAF COc1ccc(CC(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)cc1 28653896 LAGVMDHZYRQGHN-LJQANCHMSA-N 360.885 3.700 0 1 FHAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC[C@@H](C)O)c2)[nH]1 40935454 FIKQEBVZFVOWKT-LLVKDONJSA-N 358.442 3.792 0 1 FHAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C(=O)O)CS2)cc1 66260108 QQGIACMPSDVFRS-PKOBYXMFSA-N 365.458 3.636 0 1 FHAF NC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1cc(-c3ccn[nH]3)ccc12 72124963 HCVISALGHUEHJA-UHFFFAOYSA-N 374.448 3.950 0 1 FHAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccco1 82141840 FQTFDEQUYTVKOH-GDBMZVCRSA-N 354.454 3.645 0 1 FHAF O=C(O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(Cl)cc1 96273174 YJSMNPPWLDFFMQ-UHFFFAOYSA-N 363.801 3.904 0 1 FHAF CCCSc1nc(NCCC(=O)O)ccc1C(=O)NC1CCCCC1 117758753 TWSMMGCFKFUITI-UHFFFAOYSA-N 365.499 3.533 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(O)c3)cc2)C[C@H]2CC[C@H]1N2C 136800899 TTXGYEDMFZIQNY-WLRLJWMZSA-N 351.446 3.799 0 1 FHAF CCCn1c(Oc2cc(C)ccn2)nc2nc(C3CCCC3)[nH]c2c1=O 205178019 UCAPLRHXBPTPKN-UHFFFAOYSA-N 353.426 3.683 0 1 FHAF Cc1ccc(NC(=O)CSc2nnc(C)n2Cc2ccco2)cc1C 299824703 WQQLZJJJQLSIRJ-UHFFFAOYSA-N 356.451 3.575 0 1 FHAF Cc1c(-c2nc3cccc(C(=O)O)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587074068 QNEGFSPYMOXQIO-UHFFFAOYSA-N 367.796 3.530 0 1 FHAF COc1c(F)ccc(-c2nc3ccc(F)c(Br)c3[nH]2)c1N 587133560 SJKYNUIWHINWJR-UHFFFAOYSA-N 354.154 3.861 0 1 FHAF COc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cn1 587172328 FWRIUDQASCDKFD-UHFFFAOYSA-N 368.343 3.562 0 1 FHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)C(C)(C)C 587205322 PIDJZDIKIREMSO-OAHLLOKOSA-N 357.458 3.921 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]c(C(=O)O)c(C)c31)CC2=O 587485380 RZHYJSACNSASRN-OAQYLSRUSA-N 369.417 3.876 0 1 FHAF CCCn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578580 ARUMSJNOEPHEMU-PXNSSMCTSA-N 350.374 3.702 0 1 FHAF C[C@H](O)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610480 GFFOQEAIRKUZCF-CYFODOTGSA-N 368.410 3.692 0 1 FHAF Cc1c(Cl)cccc1NCC(=O)n1ncc2ccc(Cl)cc2c1=O 587650632 APTKIQSUNGLPFQ-UHFFFAOYSA-N 362.216 3.764 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C)c2C(F)F)N1 587714003 DSNXZBMFIIJXNK-UHLUBPPHSA-N 374.204 3.883 0 1 FHAF CCOCCOCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587778191 IDHFXFHLQNBFTA-UHFFFAOYSA-N 367.165 3.897 0 1 FHAF COC(=O)[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587810544 URBRAHWNAUDCJU-BFCNOCSMSA-N 370.262 3.681 0 1 FHAF CN1CCc2cnn(C)c2[C@@H]1c1ccc(COc2ccc(Cl)cc2)o1 963956104 UXDVBFNDUMXFDP-IBGZPJMESA-N 357.841 3.823 0 1 FHAF COc1ccc(NC(=O)c2ccnc(N(C)Cc3ccc(F)cc3)n2)cc1 1772604714 AQUNPRSLYWGINZ-UHFFFAOYSA-N 366.396 3.513 0 1 FHAF COc1ccc(-c2nc(NCC(=O)O)sc2-c2ccc(OC)cc2)cc1 1772635479 YBNBDNHSPNKSSM-UHFFFAOYSA-N 370.430 3.991 0 1 FHAF CCOC(=O)c1[nH]nc2c1C[C@]1(C)c3cc(OC)ccc3CC[C@@H]1C2(C)C 1857619116 CHEHDMNADSKOKJ-VGOFRKELSA-N 368.477 3.949 0 1 FHAF C[C@@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N(C)Cc1ccccc1 2356302825 DFGMOTWQLPZYIL-CYBMUJFWSA-N 354.381 3.806 0 1 FHAF COc1cc(CC[C@@H](C[C@H](O)C2CCC(C)CC2)OC(C)=O)ccc1O 2356365951 VXHKXDWRWQUAIY-NXFLIZTESA-N 364.482 3.842 0 1 FHAF O=C(Nc1ccccn1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2466532 GMINBRNEPLYLJJ-SFTDATJTSA-N 369.424 3.557 0 1 FHAF Cc1c(Sc2ccccc2)n(C/C=C/c2ccccc2)c(=O)[nH]c1=O 6520172 DJYIGLXJQVOCGM-DHZHZOJOSA-N 350.443 3.710 0 1 FHAF CC1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 8661193 FGZDQVUMKWDSPP-MOPGFXCFSA-N 368.502 3.917 0 1 FHAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc2c1 13612047 KHHZVSIVKKGELQ-UHFFFAOYSA-N 365.414 3.670 0 1 FHAF CC[C@]12CCCN3CC[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@@H]32 27203003 SVUIZQADVWZKGH-ZIBCJSCZSA-N 372.896 3.829 0 1 FHAF O=C([C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccccc1)N1CCCCC1 72176076 OYFARCDWBWBBGC-LEWJYISDSA-N 362.473 3.697 0 1 FHAF CCCN(CCC)c1nc(N2CCCC2)c2cc(OC)c(OC)cc2n1 95771784 FGYKLTSBIMLGNT-UHFFFAOYSA-N 358.486 3.874 0 1 FHAF OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(F)c(Br)c2)CCC1 100782054 XDQBQXFADPWQNY-AWEZNQCLSA-N 363.190 3.851 0 1 FHAF COc1cccc(-c2nccnc2C2CN(c3ccc4cnccc4n3)C2)c1 144320187 RDHIVJNWOKDLLZ-UHFFFAOYSA-N 369.428 3.699 0 1 FHAF Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1C1=CCCC1 146513002 JMXZJWLQQXRYCF-UHFFFAOYSA-N 361.441 3.914 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1C 169723936 BVIZLNPECFEXCN-WMZOPIPTSA-N 357.450 3.958 0 1 FHAF O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccncc3)cccc2c1 206116711 XAQNSUHVAPBEMX-UHFFFAOYSA-N 368.443 3.554 0 1 FHAF COc1nccc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1 221748565 ORIZHSWHRATWPB-UHFFFAOYSA-N 350.382 3.504 0 1 FHAF O=C(O)[C@@H]1CCCN1C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 299841342 ZIHYPADJFCDURR-HNNXBMFYSA-N 370.371 3.554 0 1 FHAF CCS(=O)(=O)c1ccc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c1 586911721 LUHVLRHXKRIFMW-UHFFFAOYSA-N 356.447 3.694 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Cl)cc(C)c2[nH]1)C(C)C 586933944 ZUISNRCCHFJIAN-AWEZNQCLSA-N 357.907 3.941 0 1 FHAF Cc1ncc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C)c1Br 586979132 HPIDDWJKMRYYDW-UHFFFAOYSA-N 371.238 3.889 0 1 FHAF CCOC(=O)[C@@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991917 LDUQBSOGUPRWAY-CYBMUJFWSA-N 359.381 3.745 0 1 FHAF Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cs2)o1 587017730 YJGSHTKOUBQOLI-UHFFFAOYSA-N 352.375 3.586 0 1 FHAF CCOc1ccccc1[C@@](N)(c1nc2cc(Cl)ncc2[nH]1)C(F)(F)F 587093819 YCAAFIQQZMWGBU-OAHLLOKOSA-N 370.762 3.775 0 1 FHAF Cc1cc(-c2nc3cc(O)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124883 MVEWOIZVEQPULV-UHFFFAOYSA-N 371.340 3.505 0 1 FHAF N=c1ncc(-c2cccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)c[nH]1 587253677 CMMIMWBGUVDSIA-UHFFFAOYSA-N 371.322 3.998 0 1 FHAF CC[C@@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1C 587355903 GVZMMTXUGKNCRZ-KQRRRXHLSA-N 370.376 3.601 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1N1CCOCC1)O2 587377717 XTPWHTBMTNZNHF-SFHVURJKSA-N 372.852 3.774 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cnc1F)O2 587386987 NNECSVQUSBQSOI-CYBMUJFWSA-N 351.175 3.580 0 1 FHAF COc1ccc(OC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1N 587509630 HZIKAIKFUNDNHS-SFHVURJKSA-N 353.418 3.871 0 1 FHAF CC(=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604820 YXVCUJITLVVGJM-UGKGYDQZSA-N 360.365 3.838 0 1 FHAF COC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1CNC(=O)OC(C)(C)C 587631581 PNSVRAKIMFDICV-UHFFFAOYSA-N 370.808 3.701 0 1 FHAF O=C(COc1ccc(F)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651538 LQFRLUJOEMJEEO-UHFFFAOYSA-N 367.163 3.562 0 1 FHAF CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(N3CCCCC3)cc21 653866768 RPOSNIDVZFRXMD-UHFFFAOYSA-N 372.469 3.857 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccccc1C(=O)O 962368684 BVFXUSWSFRHXKG-IBGZPJMESA-N 352.459 3.933 0 1 FHAF Cc1ccnc2c1CCN[C@@H]2c1ccnc2cc(Br)ccc12 963065443 DPWZDWGLNQJTBX-GOSISDBHSA-N 354.251 3.936 0 1 FHAF Cc1ccnc2c1CCN[C@@]2(c1ccsc1)c1ccc(CC(=O)O)s1 963073642 WYYSKGCSXITDRG-IBGZPJMESA-N 370.499 3.578 0 1 FHAF CC(C)N1C(=O)N/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O 1857558402 XOFSNWGPOPTYBO-ZROIWOOFSA-N 368.418 3.608 0 1 FHAF COCC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 11817070 NHEFCCHRBPBFQY-KRWDZBQOSA-N 353.418 3.547 0 3 FHAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2c(F)cccc2F)C1=O 200049624 MOPCDRMHSYMDMU-GOSISDBHSA-N 372.415 3.584 0 3 FHAF CCc1c(Sc2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O 6424924 GVPDABAMJMXFEH-UHFFFAOYSA-N 356.491 3.833 0 1 FHAF COc1cc([C@H]2Oc3c(OC)cc([C@H](OC)[C@@H](C)O)cc3[C@H]2C)ccc1O 13340380 DHRVKFSLKMAPEL-DRLYEABHSA-N 374.433 3.715 0 1 FHAF endogenous,in-man CSc1nn(-c2c(C)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12 13585084 RCULYTAJQXRXPR-UHFFFAOYSA-N 355.250 3.754 0 1 FHAF CCc1cc(C(C)=O)c(O)cc1OCCCCCCC(C)(C)c1nn[nH]n1 13650562 FFBXXZSZNZOOBV-UHFFFAOYSA-N 374.485 3.977 0 1 FHAF C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C 13977226 FYGUXILZNQKUCD-MRXNPFEDSA-N 362.477 3.611 0 1 FHAF CCCCOc1ccccc1[C@@H](c1cc(C)ns1)N1CCN(C)CC1 28248942 PZEDHANKHCPZMI-FQEVSTJZSA-N 359.539 3.967 0 1 FHAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCNC(=O)c3ccccc3)ccc21 28567895 IQUOQKZCXOOEPP-AZUAARDMSA-N 367.445 3.636 0 1 FHAF O=C(O)CC[C@@H]1C[C@H]1c1ccc(OCc2ccc3c(n2)NCCC3)cc1 28648206 ZLQCBMOQODJIPC-APWZRJJASA-N 352.434 3.987 0 1 FHAF O=C(CCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 39471457 XDFPJEPCZSJPQC-UHFFFAOYSA-N 359.416 3.911 0 1 FHAF CCN(CC)C(=O)NCCC[C@H](C)Nc1cc(OC)cc2cccnc12 40380037 HVQBNNONQOHPFI-HNNXBMFYSA-N 358.486 3.875 0 1 FHAF CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CCN2C[C@@H]2C)c(C)c1 43079260 NCVFXEZVQBNROF-PBVYKCSPSA-N 365.539 3.934 0 1 FHAF COc1ccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 96928129 VVLMAZDTUCFVIT-UHFFFAOYSA-N 360.461 3.508 0 1 FHAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(C(F)(F)F)cc1 100912778 DDASMJFFKOSRQN-VRFRFPCOSA-N 351.368 3.745 0 1 FHAF Nc1ccccc1NC(=O)C/C=C/CCNC(=O)c1cccc(Cl)c1 117586702 DBJIGNJHAZGQEV-OWOJBTEDSA-N 357.841 3.627 0 1 FHAF CC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12CCN(C)c1ccccc12 141824955 RPUYDKPZKMDJFX-IBGZPJMESA-N 373.428 3.915 0 1 FHAF O=C(Cc1ccc(C(F)(F)F)cc1Cl)N[C@H]1COc2ncccc21 146636114 QJCCNDVXUKXRTD-ZDUSSCGKSA-N 356.731 3.546 0 1 FHAF CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccccc1)CCCC3 169686268 HSWTUAONRDQBHN-QZTJIDSGSA-N 363.461 3.960 0 1 FHAF CC(C)[C@]1(O)CC[C@]2(C)C=C[C@@](C)(O)C[C@H](OC(=O)c3ccccc3)[C@H]21 238786238 RLHMEXGBDMGLGZ-ZQONDGBOSA-N 358.478 3.726 0 1 FHAF CCOCCN(CC[C@H]1C[C@H]2CC[C@H]1C2)C(=O)NCCCc1ccncc1 253651095 KRSDJLKUOZHTKR-ACRUOGEOSA-N 373.541 3.889 0 1 FHAF Oc1cccc([C@@H](O)c2nc3cc(Br)cc(Cl)c3[nH]2)c1 586887967 ARKFWQZOXZXSFL-CYBMUJFWSA-N 353.603 3.766 0 1 FHAF CC(C)Oc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1Br 586960649 XGMWTBJVXKJMLK-NRFANRHFSA-N 371.300 3.771 0 1 FHAF CC(=O)c1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587094321 PQCUNLOIOXQKOJ-OAHLLOKOSA-N 369.368 3.523 0 1 FHAF O=C(NCc1nc2ccc(F)c(F)c2[nH]1)c1cccc(C(F)(F)F)c1 587111153 KAOSERYHTZYGQW-UHFFFAOYSA-N 355.266 3.790 0 1 FHAF O=C(O)[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350466 HTSCFOXRYNUKFZ-ZINOCKGTSA-N 356.349 3.514 0 1 FHAF CCC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352119 NUZQCYIIXGAJOY-FPOVZHCZSA-N 372.392 3.992 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(F)c(Cl)c3)nn1)O2 587382640 SVDFHHFJEVVDSS-KRWDZBQOSA-N 372.787 3.657 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccoc2CC[C@H]1CC(=O)O 587485442 VULZHCQGQLWECL-LAJNKCICSA-N 370.401 3.836 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCC1CCOCC1 587609597 OEHOACACQSKLAA-PKOBYXMFSA-N 354.402 3.929 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCN(C)C2)N1 587762630 UJEDVJPNEUKUTJ-BTJLNZGRSA-N 355.295 3.679 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn3nccc23)N1 587789629 AEGVZJJVDHJQOL-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1[nH]cnc1C 587859412 IXNIZCGWECTEHT-UHFFFAOYSA-N 365.220 3.976 0 1 FHAF COc1cc(CNCCc2c(C)[nH]c3ccc(F)cc23)cc2c1OCO2 1857536834 RCQCYOJUOJNNRN-UHFFFAOYSA-N 356.397 3.685 0 1 FHAF CC(C)[C@@H](CC1CCCCCC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857635810 ZZIFBPFNHOPLSK-NHCUHLMSSA-N 358.526 3.908 0 1 FHAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1)c1onc2c1CCCC2 1911586704 OBJBHYSTPOEYTF-QGZVFWFLSA-N 362.433 3.547 0 1 FHAF CCOc1ccccc1O[C@H](c1ccccc1)[C@H](OC)C1=NCCN1CC 2356318784 YPNVONJTSSWPPO-RTWAWAEBSA-N 368.477 3.954 0 1 FHAF C[C@@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C)C1=CC[C@H]2C1=CC(=O)OC1 2356579240 VMPVNEMZRALGCT-VZPKLHRHSA-N 372.505 3.524 0 1 FHAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]34CCC[C@@H]3[C@@H]3NCCC[C@@H]3C[C@]14[C@H](O)C2 2356655247 CLTUMOCOASTNOP-OGVZGBAZSA-N 359.554 3.627 0 1 FHAF Cn1c(SCC(=O)Nc2ccccc2)nc2c3ccccc3nc-2c1O 100705147 XZRTVGGCYSSLMM-UHFFFAOYSA-N 364.430 3.510 0 1 FHAF CCc1cc2n(Cc3ccc(C(=O)OC)cc3)c3ccccc3[n+]2nc1CC 26829805 HQQVSKHPVHOSKM-UHFFFAOYSA-N 374.464 3.735 0 1 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CC4)[C@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 101741309 QKEMXTZZPULBCH-HWPFHSGUSA-N 353.506 3.835 0 1 FHAF CCCC[C@H]1NC(=O)OC12CCN(CCc1c[nH]c3ccccc13)CC2 28760966 VGVKAHGAYMCWGK-LJQANCHMSA-N 355.482 3.844 0 1 FHAF Cc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2n1 29048004 NFJKMBLLJLHDJR-UHFFFAOYSA-N 352.071 3.533 0 1 FHAF COc1ccc(-c2cn3c(n2)CO[C@H](CNCc2ccccc2C)C3)cc1 2356301908 HJMJQIUEZRFEAU-HXUWFJFHSA-N 363.461 3.556 0 1 FHAF COc1ccc(NC(=O)[C@]2(C)CCN2Cc2ccccc2Cl)cc1OC 61904679 PZCHIOOPDMHELE-FQEVSTJZSA-N 374.868 3.960 0 3 FHAF COc1ccc([C@@]2(O)CCN(C(=O)c3ccccc3)[C@H]3CCCC[C@@H]32)cc1 71317283 VSQNJGXBXWSODW-FUDKSRODSA-N 365.473 3.988 0 1 FHAF CCCc1nc2c(NCc3cccc(Cl)c3)ncnc2n1CCOC 82181356 IXRZQMSCAYUREM-UHFFFAOYSA-N 359.861 3.691 0 1 FHAF CC(C)(C)C(=O)N[C@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O 199411121 PFTVYZLGAMGDDZ-HNNXBMFYSA-N 370.415 3.749 0 3 FHAF C[C@@H](O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1-c1cn[nH]c1 223795108 XRCQVMGYIXAQNO-CHWSQXEVSA-N 353.397 3.760 0 1 FHAF CC1CCN(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)CC1 82152496 BRDFGOCRUYWIKK-UHFFFAOYSA-N 368.456 3.755 0 1 FHAF CCCCCCCC(=O)C1=C2C=C3C=C(C)OC=C3[C@H](O)[C@]2(C)OC1=O 85775071 LWWKRRPNDFSENZ-PZJWPPBQSA-N 358.434 3.647 0 1 FHAF biogenic C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 299821131 VFTOBPQVFABRND-NIGNBFPUSA-N 359.510 3.963 0 1 FHAF COc1cc(C)c(N)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587249226 KMJVDUNYBXHPSY-UHFFFAOYSA-N 367.634 3.940 0 1 FHAF CC(=O)C[C@@]1(c2ccco2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587828984 PLJWKLFXICDDIF-DYZYQPBXSA-N 366.230 3.938 0 1 FHAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587151992 WKJVUUJMEXBPKD-CYBMUJFWSA-N 373.403 3.813 0 1 FHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587927802 UTUDJIPRCSRBCA-LBPRGKRZSA-N 358.369 3.959 0 1 FHAF Fc1c(F)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c(F)c(F)c1S 587135202 VVYWGNNOCAPQKL-UHFFFAOYSA-N 356.300 3.846 0 1 FHAF COc1ccc(F)cc1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587500451 BZCYQUXCZAWCEN-NRFANRHFSA-N 370.376 3.658 0 1 FHAF C[C@]1(c2ccc(O)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340408 SNJVXFBPDFEOHP-PZJWPPBQSA-N 365.360 3.906 0 1 FHAF Cc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587590865 ZQZRQFZZCLJYDC-NQIIRXRSSA-N 362.385 3.676 0 1 FHAF Fc1cc2nc(C(F)(Br)Br)[nH]c2c(F)c1F 587088418 NFPOIJALCREGTQ-UHFFFAOYSA-N 361.918 3.850 0 1 FHAF CC1(C)Cc2nc[nH]c(=N)c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587509761 IWQFMXOWGVTISO-QFIPXVFZSA-N 363.461 3.601 0 1 FHAF Cc1[nH]c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)O 587794397 UQPHRIWGHNHFAJ-NZFNHWASSA-N 367.218 3.547 0 1 FHAF Cc1ccc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1C 587652570 VKVQDPPDCLXJRY-ZDUSSCGKSA-N 356.809 3.774 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(N)CC(C)(C)C2)N1 587745076 JJQLGOGWBPMCEU-BTDLBPIBSA-N 353.279 3.980 0 1 FHAF Cc1nc(Br)sc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587010622 FGSXFJCEFUDSHB-UHFFFAOYSA-N 364.150 3.518 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn3cccc(Br)c3n1)O2 587374333 WTUDYSCXGCVHFB-OAHLLOKOSA-N 372.222 3.694 0 1 FHAF CNCCc1ccc(Oc2ccc(F)cc2)c(I)c1 13681067 JENBSUFCESWJDB-UHFFFAOYSA-N 371.193 3.985 0 1 FHAF O=C(CCc1ccccc1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 206058878 PAQLEULJWUETTM-PBHICJAKSA-N 372.827 3.673 0 3 FHAF Cc1ccccc1CSCCC(=O)N1CCN(c2ccccc2)CC1 3031991 ADURJICZENDLGC-UHFFFAOYSA-N 354.519 3.967 0 1 FHAF CCCCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 28232036 KWXDZKMCZUIKDA-UHFFFAOYSA-N 365.949 3.795 0 1 FHAF COc1cc(-c2cn(-c3ccc(Cl)cc3)c(=O)[nH]2)cc(OC)c1OC 29038181 SKNXIDOLEXJJAT-UHFFFAOYSA-N 360.797 3.512 0 1 FHAF COc1cc(-c2nccnc2-c2ccc(N(C)C)cc2)cc(OC)c1OC 29413955 FKSMRRWFDHHZFR-UHFFFAOYSA-N 365.433 3.902 0 1 FHAF O=c1cnnc2n1-c1ccc(Oc3ccc(Cl)cc3Cl)cc1CC2 40405287 DZNJNQSQEUCLFB-UHFFFAOYSA-N 360.200 3.825 0 1 FHAF CCN(C)c1ncc(C(=O)NCC2CCCCC2)c(-c2ccccc2)n1 82132849 HTHDFRRMOBESSC-UHFFFAOYSA-N 352.482 3.910 0 1 FHAF CC1CCN(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2)CC1 82133336 XELFHGHPFQNNRP-UHFFFAOYSA-N 350.466 3.616 0 1 FHAF CCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1 82141797 WXBPBQBUHVOUTC-GJZGRUSLSA-N 356.470 3.749 0 1 FHAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3ccccc3)n2)C1 82214632 CENSAHVTHGUIBI-HOTGVXAUSA-N 364.493 3.766 0 1 FHAF CCC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 84633750 NVWRPIGSBGEKRA-UHFFFAOYSA-N 352.394 3.739 0 1 FHAF CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccncc3)N2C1=O 84763392 MCKYWXAYWISPGY-ICSRJNTNSA-N 374.444 3.641 0 1 FHAF COc1ccccc1N1CCN(Cc2cc(CO)c3cccccc2-3)CC1 95558613 NUTCIQIPIDPFOT-UHFFFAOYSA-N 362.473 3.615 0 1 FHAF O=c1[nH]c2ccc(F)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 115716147 WLVVKUAGVPJCQB-UHFFFAOYSA-N 373.472 3.579 0 1 FHAF C[C@H]1CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21 168074581 WPYXCCUZWTVDCS-HNNXBMFYSA-N 365.408 3.818 0 1 FHAF CC[C@H](C)[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204407642 PCTXAJKBMRKWDZ-LRDDRELGSA-N 353.388 3.659 0 1 FHAF Cc1nc2ccc(F)c(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C 206117354 YIZTXYBSHMFWTH-UHFFFAOYSA-N 367.428 3.569 0 1 FHAF COC(=O)CCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1 238739925 YVVNRWRNHDXTIV-UHFFFAOYSA-N 354.358 3.943 0 1 FHAF O=C1c2ccccc2C(=O)N1CCCCCCNCc1ccc(F)cc1 299861180 KSCFZHJXBZDDOT-UHFFFAOYSA-N 354.425 3.772 0 1 FHAF CC(=O)N(Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(C)=O 586995600 IVSPBXYCAIMKEK-UHFFFAOYSA-N 358.397 3.650 0 1 FHAF CCOC(=O)C(=O)Cc1nc2cccc3c2c(c1CC)-c1ccccc1C3=O 587105635 BYBFFPIYCRUMBK-UHFFFAOYSA-N 373.408 3.683 0 1 FHAF O=C(O)c1cc(Br)cc2nc(-c3cc(F)cc(F)c3O)[nH]c12 587134938 WYQXOLBZISYWNW-UHFFFAOYSA-N 369.121 3.674 0 1 FHAF Fc1cc(Br)cnc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587158393 XKHGENLDWQOIDS-UHFFFAOYSA-N 364.174 3.688 0 1 FHAF CSc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587163888 MYZFUBBSTZCPEW-UHFFFAOYSA-N 368.437 3.702 0 1 FHAF Cc1nn(C)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343012 QWGXYOUFPUEWPD-FPOVZHCZSA-N 366.392 3.848 0 1 FHAF CC(C)(C)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354696 RAPOUUFLWIPDJE-UZLBHIALSA-N 358.365 3.760 0 1 FHAF COC(=O)[C@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354858 VYNCJQUPYZGSOI-WMHILYHISA-N 370.376 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](COc1cccc(Br)c1)O2 587370214 CHNISINBUBYAMV-CYBMUJFWSA-N 362.223 3.753 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCCc3occ(C(=O)OC)c31)CC2=O 587484256 SCLNYOKBRSKOIG-OAQYLSRUSA-N 370.401 3.921 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CC=C[C@H]1C[C@@H](C(=O)O)C2 587491882 WMFJDPBVFRMZNR-IDGQHGNYSA-N 356.418 3.736 0 1 FHAF Cn1ccnc1[C@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587510530 AWUSOCUGTYLPTD-JOCHJYFZSA-N 366.461 3.586 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)cn1 587551761 JGESTXORJKGSSI-QAPCUYQASA-N 354.749 3.539 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccccn12 587587572 OMWZQFAGURSTEA-RXVVDRJESA-N 358.353 3.743 0 1 FHAF O=C(c1ccccc1Br)n1ncc2ccc(Cl)cc2c1=O 587650895 HCLZTFXWWQTTGZ-UHFFFAOYSA-N 363.598 3.501 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1Cc1cccc(OC(F)(F)F)c1 587651392 IPTPDSIRGNIMRC-UHFFFAOYSA-N 354.715 3.997 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(C)c2C(F)F)N1 587717716 MCSJDIRQRHBVLL-FUXBKTLASA-N 374.204 3.883 0 1 FHAF CCc1nccn1C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587753045 HLLQPPDJCJRMHH-APPDUMDISA-N 366.278 3.797 0 1 FHAF CC[C@]1(c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587765862 URBCOCJRVJHHBP-MGPLVRAMSA-N 352.251 3.510 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN3CCC[C@@H]32)N1 587789497 DOKBNRSFMRXVDQ-JDSLSITLSA-N 353.279 3.576 0 1 FHAF Cc1[nH]nc2c1[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792942 IXOYBMKYNYGKGA-HUTHGQBESA-N 364.262 3.734 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(-c2ccccc2)[nH]n1 963038202 RRGAQGGEVQLHNJ-QFIPXVFZSA-N 356.429 3.869 0 1 FHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](CCc2cnoc2)N1 963183205 OBGUIYZUIAAIMT-NEPJUHHUSA-N 374.746 3.620 0 1 FHAF CCOc1cccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)no2)c1 1857648625 WDBVWKWOVOINNS-UHFFFAOYSA-N 374.343 3.696 0 1 FHAF COc1cccc(-c2nc(C)c(COc3ccc(CC(=O)O)cc3)o2)c1 1857760488 BTEJSQVRGFHBMU-UHFFFAOYSA-N 353.374 3.865 0 1 FHAF COCc1c(-c2ccc(O)c(OC)c2)oc2c(O)cc(C=CCO)cc12 2356684639 VSJXKWCBZNUAQF-UHFFFAOYSA-N 356.374 3.672 0 1 FHAF O=C(O)[C@H]1[C@@H]2C[C@@H]3[C@H](CCCc4ccc5c(c4)OCO5)[C@@H]4[C@@H]3[C@H]2C=C[C@H]14 2356728702 SMOQNODVPACIFX-MAVKNWRVSA-N 352.430 3.753 0 1 FHAF Cc1cc(=O)oc2cc(OC[C@H]3CC(c4cccc(F)c4)=NO3)ccc12 2382219137 GIUSLHDEYATOJH-MRXNPFEDSA-N 353.349 3.813 0 1 FHAF COc1ccc(C(=O)NCC23CC(CN2Cc2ccccc2)C3)cc1Cl 2382223096 DULJFLPSEFHURM-UHFFFAOYSA-N 370.880 3.743 0 1 FHAF Cc1ccc(CNC(=O)O[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)cc1 205711114 YRNRLIOIBIKBPN-CNNODRBYSA-N 370.493 3.935 0 3 FHAF C[C@@H](CCc1ccccc1)NC(=O)Cc1c(C(=O)O)[nH]c2ccccc12 201626 SESMMNJLRXONBQ-AWEZNQCLSA-N 350.418 3.546 0 1 FHAF O=C1NC(=O)[C@H](Cc2ccc(OCc3nc4ccccc4s3)cc2)S1 26579545 JECICJBEODLEAY-HNNXBMFYSA-N 370.455 3.769 0 1 FHAF COc1cc2c(cc1S)O[C@@H](C[C@H](c1ccc3c(c1)OCO3)[C@H](C)O)C2 29392616 PDDJIPBOFGXVEP-GLQYFDAESA-N 374.458 3.571 0 1 FHAF CC(C)C(=O)CC[C@@H]1C(C(=O)O)=CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O 2356693067 WIPXPVFNXVTASQ-HIBPSGHXSA-N 350.455 3.920 0 1 FHAF CC(C)c1ccc(-c2c(NCCCN3CCC[C@@H](C)C3)c(=O)c2=O)cc1 20510300 IPHMFNVTBSZBCI-MRXNPFEDSA-N 354.494 3.607 0 1 FHAF Clc1cccc([C@H](c2ccc(CN3CCNCC3)cc2)n2ccnc2)c1 29135284 GBDXIBWIVZCVKE-NRFANRHFSA-N 366.896 3.579 0 1 FHAF CC(C)CCn1c(CN2C(=O)[C@](C)(O)c3ccccc32)nc2ccccc21 28824405 AKUMIEJKCUXQJL-JOCHJYFZSA-N 363.461 3.837 0 1 FHAF CS(=O)(=O)c1nc(-c2ccc3ccccc3c2)cc(C(F)(F)F)n1 64637987 CKGWZCSHFVAWNB-UHFFFAOYSA-N 352.337 3.719 0 1 FHAF CC(C)c1ccc(S(=O)(=O)Nc2ccc([C@@]34C[C@@H]3CN(C)C4)cc2)cc1 35309186 XIDSCJTYNIXZGW-NQIIRXRSSA-N 370.518 3.814 0 1 FHAF O=c1[nH]nc(O)c2cc(Nc3cccc(O)c3)c(Nc3ccccc3)cc12 73169908 VGYRNENCHYJBJO-UHFFFAOYSA-N 360.373 3.822 0 1 FHAF CC1(C)C=Cc2c(cc3c(c2O)[C@H]2Oc4cc5c(cc4[C@H]2CO3)OCO5)O1 14613190 NMOUYFFKLRGDSS-ODXCJYRJSA-N 366.369 3.915 0 1 FHAF biogenic COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCC3CC3)ncnc21 82184973 KXOVEIPWVZYJHQ-HNNXBMFYSA-N 365.481 3.641 0 1 FHAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCCC3)c(Cl)c21 1911573258 KIHHMVUQQQHGJI-UHFFFAOYSA-N 352.793 3.502 0 1 FHAF COC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2ccc(F)c(Cl)c2)cc1 45301926 LDARYHYLQKXGTR-SGTLLEGYSA-N 365.832 3.520 0 1 FHAF Cc1cc(F)c(Sc2nccn2C)cc1C(=O)Nc1cccc(N)c1 84758411 FGZLRAIOKZQEDP-UHFFFAOYSA-N 356.426 3.853 0 1 FHAF Cc1[nH]nc2ncc(-c3ccc(Cl)c(NC(=O)/C=C/N(C)C)c3)cc12 221013621 HZXFVDJXOKIZTO-VOTSOKGWSA-N 355.829 3.601 0 1 FHAF COc1ccc(-c2cc(NC(=O)CCCN3CCCCCC3)[nH]n2)cc1 95578153 KOTAZQOZDGBEDN-UHFFFAOYSA-N 356.470 3.680 0 1 FHAF NC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1 653869553 PPRJOMHKRXELRQ-UHFFFAOYSA-N 358.199 3.627 0 1 FHAF CCCOc1cccc(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)c1 587778244 ISGIKBDBXPFMIB-UHFFFAOYSA-N 353.466 3.883 0 1 FHAF Cn1nccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336752 ALKPHABETPTELN-AZUAARDMSA-N 352.365 3.539 0 1 FHAF CC(=O)C12CC([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)(C1)C2 587603409 OJJXGGKEFXXKPJ-JTVPTGRASA-N 364.397 3.872 0 1 FHAF CCOC(=O)c1ccc(CC[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443981 XIENRDFHRNSECJ-ROUUACIJSA-N 366.413 3.621 0 1 FHAF Cc1cc2nc(-c3cncc(I)c3)[nH]c2cc1F 587185302 RNHCATSFHUBKLS-UHFFFAOYSA-N 353.138 3.677 0 1 FHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(C(F)(F)F)cnc2[nH]1 587175186 QQVKRHXNEQXFCO-LBPRGKRZSA-N 363.318 3.840 0 1 FHAF CCCOc1cccc(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 587777845 DECXIVQBJGFXKU-UHFFFAOYSA-N 364.493 3.694 0 1 FHAF CC1(C)[C@@H]2OCCC[C@@H]2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587613399 XQJODQPIJXLMJO-AWSYCSROSA-N 366.413 3.928 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCN(C[C@@H]3CCCO3)C[C@H]1C)CC2=O 587481032 XKMABVHZEDMMLI-ZMPRRUGASA-N 373.493 3.570 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(C(C)(C)C)no2)N1 587798891 XIYWNDRYNCZBAO-AMIZOPFISA-N 368.250 3.892 0 1 FHAF COc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1F 587038685 KZHVWGARIXTWOF-UHFFFAOYSA-N 365.390 3.576 0 1 FHAF NC(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133764 CAEZRXVRNYJLOG-DUXPYHPUSA-N 353.250 3.528 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CC3(CC3)C2)N1 587819261 UUYRBYORPVAWBG-BTDLBPIBSA-N 352.247 3.851 0 1 FHAF Cc1c(Sc2cccc(C(=O)O)n2)c2ccccc2n1-c1cnn(C)c1 1772615690 RTYRYVXTGFVBQX-UHFFFAOYSA-N 364.430 3.917 0 1 FHAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1cccc3ccccc13)CN2 5856305 RLVGQJXBQBYMBI-UHFFFAOYSA-N 361.405 3.932 0 1 FHAF CSCCCN[C@H]1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1 12099259 GYSDYQNOUMHPII-INIZCTEOSA-N 362.518 3.779 0 1 FHAF CCN(CC)c1nc2sc3c(c2c(=O)o1)CCN(Cc1ccccc1)C3 13678146 YZLZJIGRDKNKGZ-UHFFFAOYSA-N 369.490 3.654 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(N)s3)cc2)C[C@@H]2CC[C@@H]1N2C 168407679 RHXJIBSDVXHTMJ-RCJHGTSTSA-N 356.491 3.737 0 1 FHAF CC1=C[C@H](CNCc2cccnc2)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356318378 LGUDFBPLFTXUMY-AQNXPRMDSA-N 354.498 3.960 0 1 FHAF O=C(Cn1c2c(c(-c3ccccc3)cc1=O)CCCC2)N1CCCCCC1 3030600 BQBWBLNEWUYIBI-UHFFFAOYSA-N 364.489 3.797 0 3 FHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4213254 YUUMXWVTUXKIMX-QGTPRVQTSA-N 365.543 3.828 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21 100654078 FHWOSRUUSHMKKA-MBBONTPASA-N 356.466 3.595 0 1 FHAF Cc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)cc1 100632196 ACTCFROLKGYJMD-RDTXWAMCSA-N 366.486 3.669 0 1 FHAF Cc1ccc(Cn2cc(CCC(=O)N3CCOCC3)c3ccccc32)cc1 28704749 FFZDXZFHHALQDO-UHFFFAOYSA-N 362.473 3.789 0 1 FHAF COc1c(C=CC(C)(C)O)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 2356488874 CDCIKAPGWWMGGE-UHFFFAOYSA-N 370.401 3.956 0 1 FHAF O=c1[nH]c2c(n3ccnc13)[C@]1(CCCN1Cc1ccccc1)c1ccccc1-2 26738780 GDNAMHMFENXFHI-QHCPKHFHSA-N 368.440 3.543 0 1 FHAF COc1ccc([C@@H]2CC(=O)c3c(O)c(C)c(OC)c(C)c3O2)cc1OC 2356734900 DVMTYNYBXLUSPY-HNNXBMFYSA-N 358.390 3.741 0 1 FHAF COc1cc(CNCc2coc(-c3ccccc3C)n2)cc(OC)c1OC 72185544 IFOUVPYBCAQFPN-UHFFFAOYSA-N 368.433 3.966 0 1 FHAF CCCC[C@@H](/C=C1/C[C@](CO)(COC(=O)c2ccc(C)cc2)OC1=O)CC 42922334 URMIFSQXHSBVND-NKUOZVKISA-N 374.477 3.973 0 1 FHAF Cc1ccnc(OCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)c1 221364443 OOOSUQOVFLBJFW-UHFFFAOYSA-N 359.429 3.940 0 1 FHAF Cc1cc(=O)oc2cc(N3C(=O)CS[C@@H]3c3ccc(O)cc3)ccc12 49723170 YUKHOUNRELQCRN-LJQANCHMSA-N 353.399 3.586 0 1 FHAF CC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 142037640 MDZNRNZABFBMBZ-UHFFFAOYSA-N 359.429 3.824 0 1 FHAF Nc1scc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCOCC1 144065686 IPBYVADTPAHBJS-UHFFFAOYSA-N 357.262 3.777 0 1 FHAF CCOc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 95554874 JGZJRGKLOZBSON-OALUTQOASA-N 361.445 3.699 0 1 FHAF O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc(F)c2)C1 95565697 LVWGHNNWQAYBDM-UHFFFAOYSA-N 374.778 3.533 0 1 FHAF CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3c(C)ccn3C)cc1)N2 253644174 HBQKMASEGGGNBY-HAGHYFMRSA-N 352.478 3.788 0 1 FHAF CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cccc(Br)c1 617959059 UWLHXRQFKQSCMI-RVROTUBLSA-N 355.257 3.645 0 1 FHAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](CO)[C@@]2(C)C[C@H](O)c1ccoc1 85674856 MDRPZJALROIKMT-BMOGTECYSA-N 362.466 3.627 0 1 FHAF biogenic OB1OCc2ccc([C@H](O)c3ccc(SCC4CCCCC4)cc3)cc21 2382219721 ZJIVVNSVPZMQMT-OAQYLSRUSA-N 368.307 3.658 0 1 FHAF COc1cccc(-n2ccc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2)c1 299828138 LLRSQVPCUDDGLA-UHFFFAOYSA-N 367.401 3.743 0 1 FHAF Cn1ccc2cc(-c3cnc4cnc(-c5cccc(C(N)=O)c5)cn34)ccc21 653778405 MQRYRORVQMOZNN-UHFFFAOYSA-N 367.412 3.654 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C3CC3)CC2)N1 587771744 XKNVSIHCDSOFOJ-NSHDSACASA-N 353.279 3.576 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(C)cc1)[C@@H](C2)C3=O 587446633 COXLCCXFXKGAHR-JTSKRJEESA-N 366.413 3.901 0 1 FHAF Fc1cc(F)c(-c2nc3cc4c(cc3[nH]2)OCO4)cc1Br 587136638 UAXSORPPZNUWMJ-UHFFFAOYSA-N 353.122 3.999 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn2ccccc2n1 587585123 BHALPYBXIQSEJD-GHTZIAJQSA-N 358.353 3.743 0 1 FHAF Cc1ccc(C)c2[nH]c([C@@H](N)CCCNC(=O)OCc3ccccc3)nc12 587259492 IXBHCDKDIBWWQT-KRWDZBQOSA-N 366.465 3.886 0 1 FHAF Cn1cc(Cl)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587552380 QXDYJYLSTUPBDH-KXBFYZLASA-N 370.792 3.656 0 1 FHAF Cc1c(-c2nc3ccc(C(=O)O)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074385 URTWKHDZKSJKKG-UHFFFAOYSA-N 367.796 3.530 0 1 FHAF CC[C@@]1(c2c[nH]ccc2=N)N[C@H](C)Cc2cc(Br)c(F)cc21 587746361 MUBQGCLNKISTER-BMLIUANNSA-N 364.262 3.584 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587792290 BIRPGKSGJCOGMG-MOCULFSLSA-N 370.262 3.681 0 1 FHAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587059323 PCXYBHIGNJFXMP-AWEZNQCLSA-N 355.804 3.784 0 1 FHAF COc1cc2nc(-c3ccc(F)c(Br)n3)[nH]c2cc1OC 587155827 TVZBIFURVQKESR-UHFFFAOYSA-N 352.163 3.544 0 1 FHAF CC[C@]1(C2=NCCS2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587856574 NJZMVVFOANZACQ-VFZGTOFNSA-N 357.292 3.873 0 1 FHAF Cc1cc(Br)cc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c12 587250314 RLBKRIVZACIFJB-UHFFFAOYSA-N 360.211 3.510 0 1 FHAF CCn1nccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587762396 YHYDUVXNICZSJB-HWPZZCPQSA-N 352.251 3.602 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(F)ccc2F)N1 587739046 SNSXPUGJANLJFY-KWKYVRJSSA-N 357.173 3.885 0 1 FHAF Cc1oc(-c2ccccc2)nc1COc1ccc(CN(O)C(N)=O)cc1F 13604005 SNWABSRRPSNILX-UHFFFAOYSA-N 371.368 3.638 0 1 FHAF CCC[C@H](C[C@H](CCc1ccc(OC)c(OC)c1)OC(C)=O)OC(C)=O 15256899 RZUBQNIFCCXJPU-MSOLQXFVSA-N 366.454 3.690 0 1 FHAF biogenic,in-vitro CCCCNc1cc(C(=O)O)cc2c1C(c1ccccc1)=CS2(=O)=O 169341379 GABOMXNFAUJHEP-UHFFFAOYSA-N 357.431 3.773 0 1 FHAF CN1[C@H]2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1C[C@H]2O 169344955 NRKFYDQWSIYFGJ-LWYYNNOASA-N 359.416 3.667 0 1 FHAF COc1cc(O)cc(C)c1C(=O)c1c(O)c(Cl)c(OC)c(Cl)c1O 1857555319 ZSNQZCIDICZCNA-UHFFFAOYSA-N 373.188 3.667 0 1 FHAF C[C@@]1(C(=O)NCCc2ccccc2F)CON=C1c1ccc(Cl)cc1 769239 CHNZQTKGUBXOEQ-LJQANCHMSA-N 360.816 3.579 0 1 FHAF CCN1C(=O)N(Cc2cccc(Cl)c2)S(=O)(=O)c2cscc21 6385243 MAFKRLACWBOZIH-UHFFFAOYSA-N 356.856 3.552 0 1 FHAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CN1CC=CC1 13449180 MKUSUAHBXSHVJF-OAHLLOKOSA-N 353.293 3.789 0 1 FHAF COC(=O)c1cc2c(cc1OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1C=C2 27524905 BQFKINPPMBTYMM-UIFIKXQLSA-N 358.434 3.746 0 1 FHAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@@H](Cc2ccccc2)C3=O)S1 29552856 GQSUDXNKQFXKOH-FUHWJXTLSA-N 365.454 3.569 0 1 FHAF Brc1cccc2c1ccn2CCN1CCN2CCCC[C@H]2C1 58668483 BGGMTWWGWCVIGN-HNNXBMFYSA-N 362.315 3.574 0 1 FHAF CC(C)(C)Cc1nc2c(NCC3CC3)ncnc2n1CCc1ccccn1 82185562 IYGMKXSWXOTFGP-UHFFFAOYSA-N 364.497 3.875 0 1 FHAF Cc1ccccc1S(=O)(=O)c1ccc2c(c1)c1c(n2C)C[C@@H]2CC[C@H]1N2 96175157 QHSDKVDOUICUFL-WMLDXEAASA-N 366.486 3.669 0 1 FHAF CCCCOc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O 103204851 NANUQZJLHGTUFL-SFHVURJKSA-N 358.390 3.992 0 1 FHAF NC(CO)(CO)CCc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 103301125 HXPWKVRJLLDXSJ-UHFFFAOYSA-N 363.457 3.761 0 1 FHAF Cc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 140214487 NXOUSGIOCZEXJY-UHFFFAOYSA-N 353.429 3.999 0 1 FHAF O=C(Cc1ccc2c(c1Cl)OCO2)Nc1nc(-c2ccncc2)cs1 473122384 IZBXLPNFYAKSMH-UHFFFAOYSA-N 373.821 3.768 0 1 FHAF COC(=O)c1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1OC 586898074 LARGVFQPGDVILY-UHFFFAOYSA-N 352.390 3.610 0 1 FHAF COc1ccc(S(=O)(=O)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 586920766 QTGIXWVUZHKQLJ-UHFFFAOYSA-N 370.352 3.564 0 1 FHAF Cc1cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br 587092993 CLGRHZDAQYQHTP-ZETCQYMHSA-N 364.165 3.763 0 1 FHAF COc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 587143639 CISSQDDECINPEB-ZDUSSCGKSA-N 364.218 3.716 0 1 FHAF Sc1nc(S)c2nc(-c3cccnc3NCc3ccccc3)[nH]c2n1 587230265 QTIRTVUOZYRILG-UHFFFAOYSA-N 366.475 3.604 0 1 FHAF CCOC(=O)[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352407 XFCURSOMVKQKBO-PXNSSMCTSA-N 358.365 3.602 0 1 FHAF COC(=O)CC[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587383854 HCRCULOCAOKIJQ-HXUWFJFHSA-N 357.381 3.530 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)C(C)(C)C(=O)N4)[C@@H](C2)C3=O 587440126 OKNHIIGULJEJOA-OYHNWAKOSA-N 363.413 3.588 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCN(Cc4ccccc4)CC1)[C@@H](C2)C3=O 587443932 NAIFWRZNYBAHSK-CVDCTZTESA-N 363.457 3.868 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c1ccc(O)c3F)CC2=O 587470200 FHNYZBLAJDMENQ-HXUWFJFHSA-N 358.365 3.833 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)[C@@H]1C 587475205 KHSMGHMLYICNAS-MPBGBICISA-N 361.438 3.688 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)([C@H]1Cc3ccccc3C(=O)O1)CC2=O 587491136 NHEABKRPEVRVSY-DENIHFKCSA-N 366.413 3.850 0 1 FHAF CC1(C)C[C@]2(CC[C@@H]1O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587609637 OLQDNHVPISUKME-FVJLSDCUSA-N 354.402 3.664 0 1 FHAF C[C@@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587650322 RUFCDCQOFGELSV-SNVBAGLBSA-N 361.394 3.566 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H]2CCCCN2)N1 587799832 ZAYVDTMPWADMKY-BTJLNZGRSA-N 355.295 3.870 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)OCO3)N1 587835888 REPGCZRKPXUTIP-XYZCENFISA-N 364.214 3.941 0 1 FHAF Cn1c(N2C[C@H]3CC[C@H]2[C@H](c2ccccc2)C3)nc(-c2ccncc2)cc1=O 653685369 WICVCRKZHDSYPN-LRQRDZAKSA-N 372.472 3.615 0 1 FHAF O=C(O)C[C@@H]1COc2cc(OCc3cc(-c4ccccc4)on3)ccc21 653737565 GKSNXXYIIXOQGL-CQSZACIVSA-N 351.358 3.871 0 1 FHAF COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1N[C@H](C)Cc2c(OC)ccc(OC)c21 963632669 GNPOLWLWKSPQBU-GTJPDFRWSA-N 367.449 3.659 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)NCc3ccc(F)c(Cl)c3)ncc12 1772655723 YUENHLUZDXJENE-UHFFFAOYSA-N 362.796 3.504 0 1 FHAF COC(=O)C=Cc1ccc(OC(=O)C[C@@H](C)OC(C)=O)c(CC=C(C)C)c1 2356635576 CCOYEMUNRDWWND-OAHLLOKOSA-N 374.433 3.629 0 1 FHAF Cc1ccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)c(C)c1 2451824 QNXDIZXJRBAMGF-JOCHJYFZSA-N 353.506 3.998 0 3 FHAF O=S(=O)(NC1CCCCC1)c1ccc2[nH]c(-c3ccccc3)nc2c1 2467947 GFJMMYZIRHQEHU-UHFFFAOYSA-N 355.463 3.841 0 1 FHAF CCOc1ccccc1[C@@H]1C2=C(O)OCC2=Nc2cc3c(cc21)OCO3 101675807 MTLWDRFVKKEAFT-SFHVURJKSA-N 351.358 3.832 0 1 FHAF O[C@H](CCOc1cccc2[nH]ccc12)CNC12CC3CC(CC(C3)C1)C2 28823885 GSFWJKZNVNNKLE-DQYWGJDHSA-N 354.494 3.856 0 1 FHAF in-vitro Cc1ccc(Cl)cc1NC(=O)c1nc(C)c(C)nc1C(=O)NC(C)(C)C 103168879 HPMAPLVHEFDXHD-UHFFFAOYSA-N 374.872 3.836 0 1 FHAF O=C1NC[C@H](c2cc(C(F)(F)F)ccc2F)N1c1ccc2[nH]cnc2c1 116195326 YWAXQEVHXLZLMM-OAHLLOKOSA-N 364.302 3.992 0 1 FHAF C[C@@H](O)c1onc(-c2cccs2)c1C(=O)NCc1cc(F)cc(F)c1 2356303262 PDKHVELVRBOACM-SECBINFHSA-N 364.373 3.665 0 1 FHAF COc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1CC2 117448999 JOMXVEJVUKFCMM-UWJYYQICSA-N 361.445 3.906 0 1 FHAF C[C@@H](CCCC(=O)Nc1ccc(C(F)(F)F)cc1)NCCc1c[nH]cn1 26187461 BCZAHYKUHLEQBO-ZDUSSCGKSA-N 368.403 3.758 0 1 FHAF CC(C)(C(=O)O)c1ccc2c(c1)OC[C@H](Cc1ccc(F)cc1F)[C@H]2O 26382518 LMCQXCZQAOCJRX-KPZWWZAWSA-N 362.372 3.612 0 1 FHAF COc1c2c(cc3oc4ccc(Cl)c(O)c4c(=O)c13)O[C@@H]1OCC[C@@H]21 13374556 ROKZKWUTWDHMJV-VIIUKITBSA-N 360.749 3.536 0 1 FHAF biogenic O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1)c1noc2c1CCCC2 1911572027 NHZOXLBODXISMQ-KRWDZBQOSA-N 362.433 3.547 0 1 FHAF COc1ccc(-c2cnn(C(C)(C)C(=O)NC3CCCCC3)c2)cc1OC 74387599 YIVDNOGDHZJWGH-UHFFFAOYSA-N 371.481 3.751 0 3 FHAF c1ccc(Oc2ncnc3ncn([C@H]4COc5ccccc5CO4)c23)cc1 40393221 JFEMPOZNANYFLG-QGZVFWFLSA-N 360.373 3.726 0 1 FHAF CCCCCNc1ncnc2c1nc(CCc1ccccc1)n2CCOC 82186663 MXAFHPJPGNSMPM-UHFFFAOYSA-N 367.497 3.860 0 1 FHAF C/C=C1/[C@@H](OC)O[C@@H]2C[C@H]1C[C@H]1c3c(c4cc(O)ccc4n32)CCN1C 40877940 GNHJRZWCDXRDDL-HSQPBGLJSA-N 354.450 3.734 0 1 FHAF COc1cc2c(cc1OC)-c1c(C)c3cc(OC)c(OC)cc3c[n+]1CC2 199402179 FKEQUIIMWJWJEW-UHFFFAOYSA-N 366.437 3.693 0 1 FHAF CC[C@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23 95556067 JDKSZSKJOBLXNT-HNNXBMFYSA-N 354.450 3.798 0 1 FHAF C/C=C\c1cc(OC)c(OC)cc1C(=O)c1cc(OC)c(O)c(OC)c1 238788256 OXFHUPHQXLDGKO-SREVYHEPSA-N 358.390 3.691 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)C4CC4)[C@H]3CC[C@@H]12 253691678 SNGXJCVQBMSSNF-FIONBPGRSA-N 372.553 3.839 0 1 FHAF COc1cccc(S(=O)(=O)N2CCc3cc(-c4cccnc4)ccc32)c1 299828440 REKAHBWZEGGCQO-UHFFFAOYSA-N 366.442 3.509 0 1 FHAF COc1cc(OC)c2[nH]c(-c3ccccc3C(C(C)=O)C(C)=O)nc2c1 586882575 YNUASJIYCGTERT-UHFFFAOYSA-N 352.390 3.509 0 1 FHAF Cc1cc(F)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc2c1 587237254 OIRWGQSFWIPJLL-UHFFFAOYSA-N 363.433 3.665 0 1 FHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(Cl)c2[nH]1 587201712 BLEHGUDTBJKBBU-AWEZNQCLSA-N 373.796 3.659 0 1 FHAF OCC12CCC(c3nc4c(Cl)c(Br)cnc4[nH]3)(CC1)CC2 586895423 GJGOSIVQRCRGHF-UHFFFAOYSA-N 370.678 3.958 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CC[C@H](C1)N2C(=O)OCC 587487811 ODJHYBFIHRHPBJ-GFENJXEQSA-N 373.449 3.832 0 1 FHAF FC(F)(F)c1nn(Cc2nc3ccnc(Cl)c3[nH]2)c2c1CCCC2 587120310 XNDDXLCUBCIVEN-UHFFFAOYSA-N 355.751 3.754 0 1 FHAF Cc1ccc([C@]2(CN)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587751399 YJODJVQYOZDRHI-SGTLLEGYSA-N 363.274 3.633 0 1 FHAF COC(=O)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2n1 586980164 MAVQVEGAUYCKOQ-UHFFFAOYSA-N 366.602 3.827 0 1 FHAF Cn1nc(C2CC2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580445 HZXZARNKSGIPET-RXVVDRJESA-N 362.385 3.706 0 1 FHAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccco2)c1O 587944128 CBTNUWAQUAXSIQ-AWEZNQCLSA-N 350.277 3.782 0 1 FHAF CCOC(=O)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352406 XFCURSOMVKQKBO-FXAWDEMLSA-N 358.365 3.602 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587800229 WDDHIALVQDQIMY-YOIRWDDOSA-N 370.262 3.681 0 1 FHAF COC(=O)C1=C[C@@]2(NCCc3ccc(F)c(C)c32)c2cc(Cl)ccc2O1 962378799 UNZVDHXYWNMLFI-HXUWFJFHSA-N 373.811 3.626 0 1 FHAF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc(C(F)(F)F)c1 962896223 JIXRBKALVHKZKQ-HOCLYGCPSA-N 369.314 3.541 0 1 FHAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1ccnc2cn[nH]c12 962696908 HDPHBPOHDXPGPG-BUXKBTBVSA-N 354.454 3.550 0 1 FHAF OCc1c(CO)c2n(c1-c1ccc(F)cc1)CCc1c-2[nH]c2ccccc12 1772632747 GFOXTTCHDJYDOJ-UHFFFAOYSA-N 362.404 3.983 0 1 FHAF Cc1nc(N2CCC[C@H]2C(=O)N[C@@H](C)c2cccs2)nc2ccccc12 12453348 HSYMMPVHLDHCDZ-YOEHRIQHSA-N 366.490 3.846 0 1 FHAF O=S(=O)(Nc1ccncc1Oc1ccc(Cl)cc1)C(F)(F)F 13586685 JJMVXONVEGKMAM-UHFFFAOYSA-N 352.721 3.789 0 1 FHAF CCN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 13738607 ABYLWTIWGBIVQQ-UHFFFAOYSA-N 350.462 3.975 0 1 FHAF Cc1ccc(SC[C@@H](c2ccccc2)N2CCN(C)CCC2=O)cc1 13830508 MUWQDOWWRPLKCU-FQEVSTJZSA-N 354.519 3.993 0 1 FHAF Fc1ccc(/C=C2\CNC[C@@H]3C2=NC(=S)N[C@H]3c2ccc(F)cc2)cc1 169729945 XDEMWJWHQRINAV-UMYNOAJGSA-N 369.440 3.638 0 1 FHAF FC(F)(F)c1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2ccnc2)cc1 1857655120 DQNNDIUMELMZSH-UHFFFAOYSA-N 356.311 3.738 0 1 FHAF COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 2487410 NICMABFJGORXJK-LJQANCHMSA-N 374.525 3.977 0 1 FHAF Fc1cccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccnc3)cc2)c1 100106692 HGFAEOKQYVMWDP-NUNAXRQHSA-N 359.448 3.828 0 1 FHAF O=S1(=O)C[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)C1 103278847 XDDLYWOSAJDFKL-HZPDHXFCSA-N 356.274 3.794 0 1 FHAF CC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](O)C(C)(C)O2 26745950 MKZLNLDWNBISMJ-MSOLQXFVSA-N 373.836 3.546 0 1 FHAF COc1cc2c(cc1CC=C(C)C)[C@@]1(O)COc3cc(O)ccc3[C@H]1O2 2356487559 DTGTZDVJTVSZDV-RTWAWAEBSA-N 354.402 3.623 0 1 FHAF Cc1ccc(-c2oc(=O)oc2CCN2CCN(c3ccccc3)CC2)cc1 27884424 QCFPYXJYLFYGMP-UHFFFAOYSA-N 364.445 3.573 0 1 FHAF COc1cccc(Nc2nc([C@@H](N)COCc3ccccc3)cs2)n1 61906963 BSEATIOFJZYCAZ-AWEZNQCLSA-N 356.451 3.507 0 3 FHAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@](C)(NC(=O)[C@@H]1CC(=O)N(C3CCCCC3)C1)C2 35015274 UCFMNAYGTGRZRO-AJAKECSLSA-N 360.542 3.889 0 1 FHAF COCC(=O)NCCN1C(C)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 72124986 QOYJYGFUURRQIC-HXUWFJFHSA-N 371.868 3.558 0 1 FHAF Cc1c(Cc2c(F)cccc2F)nc(SCc2ccccn2)[nH]c1=O 40836168 APOGHWVHMQYBFF-UHFFFAOYSA-N 359.401 3.635 0 1 FHAF Cc1cnc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)cn1 49071897 ZULJZBWKPRSCTD-UHFFFAOYSA-N 373.884 3.921 0 1 FHAF NC1=N[C@@]2(CO1)c1cc(C3=CCCCC3)ccc1OC1(CCC1)C21COC1 149415213 GTVHCOSZWNNPFK-QFIPXVFZSA-N 366.461 3.516 0 1 FHAF O=C(CCc1ccc(Cl)cc1Cl)N[C@H]1CCOc2ncccc21 146647758 HGNBWCAZZAKLSS-HNNXBMFYSA-N 351.233 3.961 0 1 FHAF CC(C)=CC[C@@H](O)[C@@H](C)CCC/C(C)=C/CC[C@H](C)C[C@@H](O)[C@@H](N)CO 96095121 ASNURABVVXFZSH-LAVABCQDSA-N 369.590 3.943 0 1 FHAF in-vitro COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587588201 PMPVIDXGTQOCCH-NQIIRXRSSA-N 363.369 3.807 0 1 FHAF Oc1nc2cc3nc(-c4cc5cnccc5nc4C(F)(F)F)[nH]c3cc2[nH]1 587116026 KKUZIGIFZGZMOB-UHFFFAOYSA-N 370.294 3.774 0 1 FHAF O=C(/C=C/c1nc2c(F)c(F)c(F)c(F)c2[nH]1)Nc1ccc(F)cc1 587166634 FRZSYLVQHPJWNX-AATRIKPKSA-N 353.250 3.910 0 1 FHAF COC(=O)c1cc2[nH]c([C@H](O)[C@H](C)c3ccc(C)cc3)nc2cc1OC 586885631 CRXGHXUVWRGOGT-KZULUSFZSA-N 354.406 3.504 0 1 FHAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c[nH]c(=N)[nH]c-4n3)c21 587032079 YUQOOTGAGJGOAA-SNVBAGLBSA-N 350.451 3.676 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)s1)CC2=O 587495789 UFIXKAJLHBQJJT-QGZVFWFLSA-N 373.474 3.949 0 1 FHAF CC[C@]1([C@H](C)CN(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571604 LZTWTODRALAECV-YMTYPPQLSA-N 355.434 3.700 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN[C@H]1CCCC[C@H]12 587597189 UEQCNTMRHURMCN-VFIVLBOOSA-N 365.429 3.645 0 1 FHAF O=C(c1ccnc(Br)c1)n1nc2cc1Oc1ccc(F)cc1-2 587872529 MFULCCIUDBXLEW-UHFFFAOYSA-N 360.142 3.641 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncn2ccccc12 587589625 WFLBCQGUURIATH-DYESRHJHSA-N 358.353 3.743 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn3c(Br)cccc3n1)O2 587372150 JUZFTTGRPPNPKX-AWEZNQCLSA-N 372.222 3.694 0 1 FHAF Cc1ccc(C(=O)O)c(NC(=O)Nc2ccc(C(F)(F)F)cc2N)c1 584904809 MGEJAPSNKAYTQE-UHFFFAOYSA-N 353.300 3.938 0 1 FHAF in-vitro COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1O)[C@@H](C2)C3=O 587417516 LJGAJRLBCIEGBY-YVEFUNNKSA-N 361.191 3.652 0 1 FHAF COC(=O)c1cc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2cc1OC 587149778 BCYLPYCNODMSQG-WDEREUQCSA-N 358.344 3.907 0 1 FHAF C[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](n2cncn2)C1 587516363 CHCTUCYEHSGXNI-MMACOIQUSA-N 351.450 3.922 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](CC(=O)O)C2)N1 587825488 DTVSFBLIGFFAAO-KCWFYHRYSA-N 356.235 3.593 0 1 FHAF c1ccc(-c2csc(=Nc3cccc(-c4nc5cnncc5[nH]4)c3)[nH]2)nc1 587022211 WBORGAQNHXWMBX-UHFFFAOYSA-N 371.429 3.704 0 1 FHAF C[C@@H]1CCCN(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587584386 XJHVJIOVQLZTGQ-QOEFQVSFSA-N 367.445 3.844 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4cccc(C)c4)nc1)[C@@H](C2)C3=O 587436499 PYENVMZZKNZZRC-LAUBAEHRSA-N 358.397 3.949 0 1 FHAF Oc1nc(O)c2ccc(-c3c(Br)ccc(Cl)c3F)nc2n1 587368276 MHTRLTQMEWMXJK-UHFFFAOYSA-N 370.565 3.658 0 1 FHAF CCOC(=O)Cc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398235 CXYKFCLKEBWASJ-OAQYLSRUSA-N 353.418 3.563 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(C)C)cc1O)[C@@H](C2)C3=O 587442615 RJHUQPTUAWLUOD-HRAATJIYSA-N 354.402 3.924 0 1 FHAF Cn1nc2c(C=O)cccc2c1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963127207 ZUTRXEIIRCZXJM-KRWDZBQOSA-N 360.244 3.928 0 1 FHAF COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1 1772650079 MVQIIUYTULUULJ-UHFFFAOYSA-N 354.494 3.847 0 1 FHAF CC(=O)N[C@@H](C)c1nc(-c2ccc3nc(Oc4ccccc4)[nH]c3c2)no1 1772598060 PHCVLGORNBRRHM-NSHDSACASA-N 363.377 3.602 0 1 FHAF O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OC1CCCCC1 13442424 ZMLPGOTZQCYELQ-UHFFFAOYSA-N 372.396 3.728 0 1 FHAF Cc1ccc(/C=C2\CNC[C@@H]3C2=NC(=S)N[C@H]3c2ccc(C)cc2)cc1 169729953 PBAUMKNLCRWIBL-AQKLWOLUSA-N 361.514 3.977 0 1 FHAF O=C(NCc1ccccc1)Nc1nccnc1OCc1cccc(F)c1 1857774729 UIEMMIYUSVDYSL-UHFFFAOYSA-N 352.369 3.516 0 1 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NC[C@H](O)CC 4213343 ZUWVZCCWAJUVPP-HYVNUMGLSA-N 352.500 3.649 0 1 FHAF CCc1cccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)c1 13676102 IIRGOGGQTCHRKN-UHFFFAOYSA-N 350.447 3.624 0 1 FHAF Nc1n[nH]c2nccc(-c3ccc(NC(=O)NCC4CCCCC4)cc3)c12 29129384 RNIRVIXBTXYRQN-UHFFFAOYSA-N 364.453 3.909 0 1 FHAF CCN(CC)C[C@H](O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 40918526 GYEMEFWAKNTCTE-KRWDZBQOSA-N 367.445 3.542 0 1 FHAF CCCc1nc2c(NCc3ccccc3)ncnc2n1C[C@H]1CCCO1 82178655 VVJLYNGVDVZKJC-MRXNPFEDSA-N 351.454 3.570 0 1 FHAF Cc1ccnc(C(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 103254376 UTBGCRCZWBAZKQ-UHFFFAOYSA-N 365.424 3.907 0 1 FHAF c1cc(Cn2[nH]cc3nc(-c4ccc([C@H]5CCCO5)s4)nc2-3)ccn1 103584577 AWQWMMNJJNUAAI-CQSZACIVSA-N 351.435 3.734 0 1 FHAF CCOc1ccc(Oc2ccc(F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1 143213710 LNRALXGEGPHUEQ-UHFFFAOYSA-N 368.364 3.957 0 1 FHAF O=C(O)CCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144774718 GDXNQXWAWPRUDW-KRWDZBQOSA-N 352.308 3.709 0 1 FHAF C[C@@H]1CC/C=C/CCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 169690475 QYZGDPJIVMGJDY-KXMPLOMGSA-N 352.814 3.928 0 1 FHAF Cc1ccnc([C@@H](C)O)c1-c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1 169700134 PZTMYTIVXKJTBY-DQYPLSBCSA-N 365.408 3.955 0 1 FHAF Nc1cnc(-c2ccc(-c3ccccc3Oc3ccnc(N)n3)cc2F)cn1 224725492 URQRPVXXNBBUJP-UHFFFAOYSA-N 374.379 3.696 0 1 FHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4Nc5[nH]ncc5C[C@]4(C)[C@H]3CC[C@]12C 254201109 TXIDYABROZTEFW-OZFZSNIHSA-N 357.498 3.921 0 1 FHAF COc1ccc(/C=C/C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC1CCCC1 299829610 KOPUSUFGPWIJPG-HLZWWYGYSA-N 359.466 3.666 0 1 FHAF Nc1ncc(Cl)nc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587086436 KCGJABYPSVPONO-UHFFFAOYSA-N 359.014 3.671 0 1 FHAF COc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587126504 YAFQJYMLULEQMI-ISVAXAHUSA-N 351.332 3.743 0 1 FHAF COc1ccccc1-c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)on1 587394973 MLNBLMGFJWQHLI-SFHVURJKSA-N 350.374 3.947 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(O)cccc21 587405011 UEICGYUYDZXWTH-HSZRJFAPSA-N 371.392 3.736 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=N)N)c1)CC2=O 587468266 CYZVYMGWIGQASA-HXUWFJFHSA-N 353.422 3.531 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2ccc(CC)cc21 587487872 OPBDQCCHQUGQCP-JOCHJYFZSA-N 365.429 3.744 0 1 FHAF Cc1cn2c(n1)[C@]1(CC=C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590857 ZPQQIULALGNAJP-LAUBAEHRSA-N 360.369 3.629 0 1 FHAF CN1[C@H]2CCC[C@@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592045 HFISLEQMTXDECI-YJHYTUISSA-N 365.429 3.739 0 1 FHAF Cc1[nH]nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587693853 FVBPOQSDWRFKOJ-UANNBLPKSA-N 358.642 3.897 0 1 FHAF CCOC(=O)[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798955 QIEAAMMGRFMQGW-LSYCYVAJSA-N 358.251 3.537 0 1 FHAF CC[C@]1(Cc2nc3c(C(=O)OC)ccnc3[nH]2)CC(=O)c2ccccc2C1 587959877 INFHYAICAUYRSO-OAQYLSRUSA-N 363.417 3.513 0 1 FHAF CC(C)[C@H]1CC[C@@H](Cn2c(N)nc3cc(-c4ccccc4)ccc3c2=O)O1 653703965 SVSLBCXWKJJSEH-FXAWDEMLSA-N 363.461 3.849 0 1 FHAF COc1ccc(NC(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)cc1 653705981 IJWAZBBKAQAEER-UHFFFAOYSA-N 374.404 3.631 0 1 FHAF COc1ccc2c(c1OC)[C@](C)(c1cnc3ccoc3c1)N(C)[C@H](C)C2 962639470 WGADPISQOCRGLR-ASSNKEHSSA-N 352.434 3.985 0 1 FHAF Cc1cc([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)oc1C 962648905 XEEQLQIWFHCVLU-YADHBBJMSA-N 364.445 3.807 0 1 FHAF CC(C)c1nn(C)c2c1[C@@](C)(C13C[C@H]4C[C@@H](CC(C(=O)O)(C4)C1)C3)NCC2 962924240 WPPDNMOQOSDPNP-FSOXMVHBSA-N 371.525 3.576 0 1 FHAF COc1cc(OC)c([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c(OC)c1 963097389 DZIUXNMAULRKEK-BTYIYWSLSA-N 357.425 3.961 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)N[C@@H](C)c3ccc(F)c(F)c3)ncc12 1772649261 HVTKIDSCSMCLKY-VIFPVBQESA-N 360.368 3.551 0 1 FHAF CN1CCC[C@H](Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)C1 1857552362 LAOXNVXANWTNDU-SFHVURJKSA-N 351.406 3.582 0 1 FHAF Cc1c([C@@H](C)n2cnc3ncc(-c4cnn(C)c4)nc32)ccc2ncccc12 1857586741 XEVUGCYBUXIWNB-CQSZACIVSA-N 369.432 3.693 0 1 FHAF 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@H]12 2356681605 ZXELCOUFXAXDQB-GPMSGKNDSA-N 372.461 3.552 0 1 FHAF CCCCC[C@](C)(O)C=C[C@H]1[C@H](CC=CCCCC(=O)O)C(=O)C[C@H]1O 2356696410 XSGQFHNPNWBVPT-NEOGFGCTSA-N 366.498 3.641 0 1 FHAF CN(C)CCN=c1cc(/C=C/c2cccnc2)[nH]c2ccc(Cl)cc12 2382225547 FCBYZTKOSVKFHM-FNORWQNLSA-N 352.869 3.849 0 1 FHAF CC(C)(C)C(=O)N[C@@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O 199411107 PFTVYZLGAMGDDZ-OAHLLOKOSA-N 370.415 3.749 0 3 FHAF COc1cccc(NC(=O)C[C@]2(C)N=C(c3ccccc3Cl)N(C)O2)c1 205229703 XFUSBRWNURFXDI-LJQANCHMSA-N 373.840 3.717 0 3 FHAF C/C=C/C[C@H](C(C)=O)n1cc([C@@](C)(NC(=O)c2ccccc2)C(C)C)nn1 16052155 OEHUTYXPQSSKAK-RVLLMHTFSA-N 368.481 3.676 0 1 FHAF in-vivo CCOC(=O)C1=CC[C@@H](COCc2ccc(-c3ccccc3)cc2)NC1 26832990 JWINUVCJZHJYBD-NRFANRHFSA-N 351.446 3.722 0 1 FHAF Cc1ccc2c(c1C)CN(C(=O)N1CCOCC1)C[C@@H]2c1ccccc1 28572222 VWCKJFFQQRCDKT-OAQYLSRUSA-N 350.462 3.703 0 1 FHAF C=CC1=C(CO)[C@@H]2C[C@@H](O)[C@H]3[C@](C)(COC(C)=O)CCC[C@]3(C)[C@H]2CC1 38345325 PAKBXHOEKOBBDP-BGOZWBLRSA-N 362.510 3.628 0 1 FHAF COc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1OC 42964592 PPIJYZSGRSKZDM-LLVKDONJSA-N 363.845 3.937 0 1 FHAF COc1c(O)cc2oc(-c3cc(O)cc(O)c3)cc2c1CC(=O)C(C)C 43080736 WMDVTEYZKOEFEB-UHFFFAOYSA-N 356.374 3.993 0 1 FHAF biogenic Cc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1 49071895 RVHUTADMAUFBCK-UHFFFAOYSA-N 373.884 3.921 0 1 FHAF COc1cccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)c1 49785170 LTUJYOWFDBYEOV-KRWDZBQOSA-N 356.422 3.502 0 1 FHAF Cc1c(C(=O)Nc2ccccc2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 59701169 ZVETXXWUGSPYNY-UHFFFAOYSA-O 365.196 3.661 0 1 FHAF COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)ccc1F 71315762 CWJKYYDHEMDTGZ-INIZCTEOSA-N 350.349 3.684 0 1 FHAF COc1ccc(-c2cc(NCCc3ccccc3)ncn2)c(OC)c1OC 82167502 BBMGGRIPJYZMKT-UHFFFAOYSA-N 365.433 3.824 0 1 FHAF Cc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cn2)cc2cccnc12 115595837 IXRFXQITJITZJD-LKAUBKCLSA-N 364.836 3.845 0 1 FHAF COC(=O)/C1=C\CC[C@@H]2O[C@H]2CC/C(C(=O)OC)=C/C=C(/C(C)C)CC1 169370764 NJAATXWPYRPTPP-YXZORJNGSA-N 362.466 3.889 0 1 FHAF COc1ccc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 221303858 YGHHZROONVTWLB-CZUORRHYSA-N 356.426 3.640 0 1 FHAF CC(=O)OC[C@]1(O)C[C@]23CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]2CC[C@H]1C3 238732015 PTVDSZPMJVQUCE-QJJLMYLWSA-N 362.510 3.892 0 1 FHAF Cc1ccc(CSCCc2nc3nc(Br)c[nH]c-3n2)cc1 586970572 MKQBWQKQGKKOBC-UHFFFAOYSA-N 363.284 3.851 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006631 PEEHKUAQFRLUGU-OAHLLOKOSA-N 370.210 3.969 0 1 FHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ncc[nH]c-2n1)c1cccc(Cl)c1 587071487 NCQOFBQNSOBYIH-CYBMUJFWSA-N 373.844 3.766 0 1 FHAF CN1CCN(c2ccc3[nH]c(-c4ccc(OC(F)F)cc4)nc3c2)CC1 587130175 GGYFRAWSUKGPRP-UHFFFAOYSA-N 358.392 3.583 0 1 FHAF COc1ccc(-n2cccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431386 OIQZTVZMIISYME-VGSWGCGISA-N 361.397 3.983 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC(C)C)c1)[C@@H](C2)C3=O 587441466 UCPQYWHRUUVADH-YCRPNKLZSA-N 354.402 3.980 0 1 FHAF CN(C)c1ncnc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499318 LVNNMASDSTWLTC-OAHLLOKOSA-N 357.841 3.781 0 1 FHAF COC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2c(C(=O)O)cccc12 587639284 ZSQGWEHTQCWYEA-UHFFFAOYSA-N 357.749 3.542 0 1 FHAF CC[C@@]1(c2ccn(C)n2)N[C@H](C)Cc2ccc(F)c(Br)c21 587762826 GJUCPICLTQIBNW-HWPZZCPQSA-N 352.251 3.510 0 1 FHAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587773733 RSYOFQRXISTMJY-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF COC(=O)C[C@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587806024 IJQYIIFZPLYWJA-BMLIUANNSA-N 370.262 3.681 0 1 FHAF O=C(O)C[C@H]1COc2cc(OCc3cc(-c4ccccc4)on3)ccc21 653737564 GKSNXXYIIXOQGL-AWEZNQCLSA-N 351.358 3.871 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@](CC(F)(F)F)(C2CC2)N1)C(F)(F)F 962730153 LYDSHFUDYPCNAR-OCCSQVGLSA-N 351.290 3.890 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnc(SC)nc2NC)N1 962950701 SKEXAMDIQKVBNC-DIFFPNOSSA-N 353.495 3.735 0 1 FHAF COc1cccc([C@]2(CC3OCCO3)NCCc3c2sc(C)c3C)c1 963026990 PVNLDXJDFQWPOK-FQEVSTJZSA-N 359.491 3.526 0 1 FHAF Cc1cc2[nH]c3nc(N)nc(NCc4cccc(Cl)c4)c3c2cc1O 1772582065 LNFFGVKNHZLPQP-UHFFFAOYSA-N 353.813 3.973 0 1 FHAF Nc1ncnn2c(-c3cccnc3)cc(-c3ccnn3C3CCCCC3)c12 1857594881 AVERIZLGWRHWFS-UHFFFAOYSA-N 359.437 3.742 0 1 FHAF c1ccc(CN2CC[C@@H](NCCN3CCC[C@@H](c4ccccc4)C3)C2)cc1 1857601475 CCYAENBYIJKXJM-DNQXCXABSA-N 363.549 3.730 0 1 FHAF COc1oc(CC=C(C)CC[C@@H](OC)C(C)=C[C@H](C)O)c(C)c(=O)c1C 2356831810 JRYSFTQQWLHNHH-MAUKXSAKSA-N 364.482 3.876 0 1 FHAF COc1ccc(CN2CC[C@@H]3CC(=O)N(c4ccccc4)CC[C@H]3C2)cc1 2356847432 OWBICFVPJZVFGB-UXHICEINSA-N 364.489 3.960 0 1 FHAF CCCC(=O)Nc1cc(OC)c(NC(=O)NC2CCCCC2)cc1OC 1324303 UFMLUMQUGNJISO-UHFFFAOYSA-N 363.458 3.897 0 3 FHAF Cc1ccc(CN2CCCC[C@@H](NC(=O)Nc3ccccc3F)C2=O)cc1 200053710 YJMHWBGZFNXAFJ-LJQANCHMSA-N 369.440 3.837 0 3 FHAF CCCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCO3)c(O)cc1O 3984097 OLPMQMKSKFCDRC-UHFFFAOYSA-N 352.390 3.879 0 1 FHAF Cc1ncc(CN2CC[C@@]3(CCCN(CCCc4ccccc4)C3)C2)cn1 12475050 UYCRSSBMNIPBOC-HSZRJFAPSA-N 364.537 3.706 0 1 FHAF C[S@@](=O)c1ccc(C(=O)[C@@H](Nc2nccs2)c2ccccc2)cc1 13588948 OBSDSXVVARSSEP-FYSMJZIKSA-N 356.472 3.917 0 1 FHAF Cc1cccc2oc(=O)c(Cc3c(O)c4c(C)cccc4oc3=O)c(O)c12 15254000 JUCUEMBIORWHSB-UHFFFAOYSA-N 364.353 3.518 0 1 FHAF endogenous,in-man Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 26173947 PMUGSFJFKNRORH-INIZCTEOSA-N 356.809 3.555 0 1 FHAF O=c1c2ccccc2cc2n1Cc1c-2nc2ccccc2c1Cn1ccnc1 40874530 RAKSINJCWRHGRK-UHFFFAOYSA-N 364.408 3.823 0 1 FHAF CCCN(CCC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 40914735 XPHKPHLBNPVQLG-UHFFFAOYSA-N 368.485 3.747 0 1 FHAF COc1cccc(/C=C2\CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C2=O)[C@@H]45)c1 84739248 ZLUUVHDDRUOABP-QAUCBGJHSA-N 366.505 3.574 0 1 FHAF COc1cc(CCc2cc(CO)c(CCCCCCCN)o2)ccc1O 85624455 BRSQUAXCSLHICZ-UHFFFAOYSA-N 361.482 3.723 0 1 FHAF biogenic,in-vitro Cc1cc(NC(=O)[C@H]2C(=O)N3c4ccccc4Cc4cccc2c43)sn1 100658599 DZYHKOIYXBPCOS-KRWDZBQOSA-N 361.426 3.756 0 1 FHAF COC(=O)c1c(O)cc(OC)c(CO)c1OC/C=C(/C)CCC=C(C)C 205004110 VCIDBPJGNGIQDM-ZROIWOOFSA-N 364.438 3.751 0 1 FHAF COc1ccn2nc(-c3ccccc3)c(Cc3cccc(C(=O)O)n3)c2c1 216339571 WDIYGCMLWLYDPG-UHFFFAOYSA-N 359.385 3.694 0 1 FHAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CCC2=O 261499511 ZMITXKRGXGRMKS-FKLUBVLPSA-N 370.511 3.786 0 1 FHAF endogenous,in-man COc1ccc(CN2C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCO)cc1 299836938 OUFOPRTUJBVVNQ-ADHNFCLRSA-N 372.553 3.533 0 1 FHAF CCOC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1 299869049 TVLFFISEXBADGH-UHFFFAOYSA-N 374.849 3.694 0 1 FHAF O=C1c2ccccc2-c2cc([C@]3(Cl)CCOC3=O)nc3ccc(O)c1c23 586985427 GZCCRMHKGHSMAN-HXUWFJFHSA-N 365.772 3.533 0 1 FHAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccnc(Cl)c2[nH]1 587064571 COXICTPQPYUPSM-UHFFFAOYSA-N 352.177 3.665 0 1 FHAF O=S(=O)(c1ccc2nc(CCc3ccccc3F)[nH]c2c1)C(F)(F)F 587149293 KPEKDGMZRUUPBH-UHFFFAOYSA-N 372.343 3.781 0 1 FHAF CCS(=O)(=O)c1ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175682 XYNZVCWXDJFUHA-UHFFFAOYSA-N 357.410 3.568 0 1 FHAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(CCO)cc2[nH]1)c1ccccc1 587218548 JPQIVWZHWANXDW-NRFANRHFSA-N 371.440 3.617 0 1 FHAF CCOC(=O)[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353264 YPGLWALRVZEPGY-SVLFDBIPSA-N 372.392 3.848 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(cc1OC(F)F)OCO3)O2 587382965 QBBQOIZZSWQYCJ-CYBMUJFWSA-N 363.316 3.614 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(Cl)cc1)[C@@H](C2)C3=O 587421487 MSKZDNAVDBJNSQ-MGPUTAFESA-N 371.820 3.884 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc3[nH]cnc(Cl)c1-3)CC2=O 587463334 WZDWQCSHEPPXPA-AWEZNQCLSA-N 357.797 3.928 0 1 FHAF O=C1C[C@@H](c2ncc(C3OCCO3)s2)Oc2c1ccc1c2CCCC1 587534083 ASSATPYZQBUWPN-HNNXBMFYSA-N 357.431 3.774 0 1 FHAF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587637526 BQLVZYURVFSNCN-UHFFFAOYSA-N 371.776 3.932 0 1 FHAF Cc1cccc(C)c1NC(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 587649887 DJICOHKKCXLFBG-UHFFFAOYSA-N 356.447 3.749 0 1 FHAF Cc1ccnn1C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587760759 QLEMSEYPKHUKDR-MGPLVRAMSA-N 352.251 3.543 0 1 FHAF COC(=O)C[C@@H]1CC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806031 IKNKXJBRMBOVRL-PSVSLLHZSA-N 370.262 3.681 0 1 FHAF COc1ccc(Cc2nc3ccc(Br)c(O)c3[nH]2)cc1OC 587927711 SUXUVBVUGJZSKE-UHFFFAOYSA-N 363.211 3.639 0 1 FHAF COc1cc2c(cc1OC)[C@@](CCCC(=O)O)(C1CCC1)N(C)[C@H](C)C2 962633522 KDIWHQXBRAXHNA-SPLOXXLWSA-N 361.482 3.831 0 1 FHAF c1coc(CN2CCc3sccc3[C@H]2Cc2nc3cccnc3[nH]2)c1 962704175 JCHJEXUXUVGSDC-MRXNPFEDSA-N 350.447 3.955 0 1 FHAF COc1cc2ccnc([C@H](OC)c3ccc4c(c3)OCO4)c2cc1OC 14697179 UZTFBGXIIOSHFC-HXUWFJFHSA-N 353.374 3.717 0 1 FHAF biogenic C=CC[C@]12C=C(OC)C(=O)C=C1O[C@H](c1ccc(OC)c(OC)c1)[C@@H]2C 15119337 CMTIOXAVRNUFAG-SKOKVVANSA-N 356.418 3.971 0 1 FHAF biogenic CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCCCC1 28134321 JYWLJOOWUDORAZ-UHFFFAOYSA-N 361.873 3.732 0 1 FHAF O=C(CCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1F 28647154 SYXMHMLQJXJBDO-UHFFFAOYSA-N 373.447 3.501 0 1 FHAF Cn1c(C(=O)c2ccc(Cl)cc2)cnc1OCCCN1CCCCC1 35846533 SHFDHLCZYVHWPN-UHFFFAOYSA-N 361.873 3.559 0 1 FHAF Nc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 49792455 UEJUFRKRCLMBAK-LIKPIUCQSA-N 366.420 3.665 0 1 FHAF CN(Cc1ccccc1)C(=O)c1[nH]c(-c2cccc(Cl)c2)nc1C(=O)O 58631435 BSLQMHNPFUHRKP-UHFFFAOYSA-N 369.808 3.701 0 1 FHAF in-vitro COc1ccccc1CNC[C@H](O)Cn1c2c(c3ccccc31)CCCC2 73141507 RQXOMUHUWFYRKL-SFHVURJKSA-N 364.489 3.679 0 1 FHAF CC(C)NC[C@H](O)C[C@@](O)(c1ccccc1)c1ccc(C(C)(C)C)cc1 84740951 JNUMEIKEYHOYMY-FYYLOGMGSA-N 355.522 3.969 0 1 FHAF O=C(c1nc2ccccc2[nH]1)N1CC(c2ncccc2-c2ccccc2)C1 95574598 IRDYXJLMBIXWOA-UHFFFAOYSA-N 354.413 3.865 0 1 FHAF Cc1oc(-c2ccccc2)nc1CCCC[C@H]1CO[C@@](C)(C(=O)O)OC1 101455310 CKMOMMWDPGJJAW-SGNKCFNYSA-N 359.422 3.827 0 1 FHAF NC1(c2ccc(-c3nc4c(=O)[nH]ccn4c3-c3ccccc3)cc2)CCC1 205128938 YRJOCSPCUOAQGY-UHFFFAOYSA-N 356.429 3.695 0 1 FHAF CSc1ccc(S[C@H]2CC(=O)N2C(=O)NCc2ccccc2)cc1 299871706 ZAKKPMXWLOOKFJ-KRWDZBQOSA-N 358.488 3.969 0 1 FHAF OC1(c2nc3cc(C(F)(F)F)cnc3[nH]2)CCC(C(F)(F)F)CC1 587126026 JGSXILZEGZSCBQ-UHFFFAOYSA-N 353.266 3.917 0 1 FHAF CCOC(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587126896 OLJHDKQCOVVZRL-UHFFFAOYSA-N 356.344 3.680 0 1 FHAF Fc1ccc(-c2nc3c(Br)cncc3[nH]2)nc1Br 587155897 VBYFXCOWHALWHD-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF C[C@@]1(c2ccc(O)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340404 SNJVXFBPDFEOHP-CTNGQTDRSA-N 365.360 3.906 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(C1CCOCC1)[C@@H](C2)C3=O 587451343 HJSFNEONFRAHJU-AVRDEDQJSA-N 350.414 3.765 0 1 FHAF O=C1CC2(CCN(C(=O)c3ccco3)CC2)Oc2c1ccc1c2CCCC1 587512266 BWXDDNNFECUCSQ-UHFFFAOYSA-N 365.429 3.799 0 1 FHAF CCn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587579996 GPDGIWCZCSPQOH-FXAWDEMLSA-N 350.374 3.620 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(O)ccc12 587608572 LRNBVMYJVSVZIM-SIKLNZKXSA-N 360.365 3.901 0 1 FHAF CCN1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)C1 587762295 SDWVKUHNWXIRMB-QFSBIZTOSA-N 355.295 3.679 0 1 FHAF Cc1nc(O)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774550 WIOVZSCORBXMHK-HUTHGQBESA-N 365.246 3.795 0 1 FHAF O=C1CCC(c2ccccc2)(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC1 587970555 KHAQEYJBJZECDN-UHFFFAOYSA-N 360.339 3.753 0 1 FHAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(C[C@@H]3C=CC[C@@H]32)N1 963173479 LMDHRWZCJRERAX-RATQPLAUSA-N 357.759 3.749 0 1 FHAF COC(=O)C[C@@]1(C/C=C(\C)CCC=C(C)C)C[C@H](OC(C)=O)C=C[C@H]1O 1857549197 LOCHIJJHKAVDIR-GCJJDYHJSA-N 364.482 3.871 0 1 FHAF CCCCCC=C[C@@H](O)C=CCCCCCCCC(=O)OC[C@H](O)CO 2356711664 MRBYNZWOAUWCJR-WOJBJXKFSA-N 370.530 3.667 0 1 FHAF Cc1nc(N2CCCC[C@H]2C)c2c(C)c(C(=O)N3CCCC3)sc2n1 753896 PFCWAYUGFNZJIW-GFCCVEGCSA-N 358.511 3.923 0 1 FHAF CCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=O)CC1 13488530 UKGSOOLBHCJVBI-UHFFFAOYSA-N 351.446 3.896 0 1 FHAF O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1cccs1 13674427 GVMGFZJINUTVNQ-AZUAARDMSA-N 368.502 3.926 0 1 FHAF c1ccc2c(c1)C[C@H]2CCCN1CCN(c2cccc3c2OCCO3)CC1 13743660 LLKWFNZPBXIJAX-LJQANCHMSA-N 364.489 3.700 0 1 FHAF Cc1cc(Cl)nnc1N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 28396622 CYZDSLHDYANTKM-UHFFFAOYSA-N 373.888 3.916 0 1 FHAF COc1ccccc1CNc1cc(-n2ccccc2=O)cn2c(C)c(C)nc12 40976500 IXGNTQQGMMPWEG-UHFFFAOYSA-N 374.444 3.723 0 1 FHAF CC(C)Nc1cc(-c2cc3cnccc3c(NCC(C)(C)N)n2)ccn1 95563547 RNYFYIRYVORHDX-UHFFFAOYSA-N 350.470 3.661 0 1 FHAF CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)noc21 95595501 KSNNTOPCPZZHSP-UHFFFAOYSA-N 359.470 3.941 0 1 FHAF CN(c1cccc(-c2cccc(O)c2)c1)S(=O)(=O)c1cccc(O)c1 96285189 CJDUVKSVPAJUGB-UHFFFAOYSA-N 355.415 3.590 0 1 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@H](C2)[C@H]1[C@@H](C)CC(=O)C3 101199968 VDSHRIABCYXDCJ-UXVKIGTPSA-N 353.506 3.979 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(\O)OCC)[C@@H]1c1nc2ccccc2[nH]1 102051254 BQQKUFSBVPHZQM-STZPCZCHSA-N 369.421 3.764 0 1 FHAF CCCn1c(Oc2cccnc2C)nc2nc(C3CCCC3)[nH]c2c1=O 117412956 POQLXHUEHZSOCW-UHFFFAOYSA-N 353.426 3.683 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H]2C[C@@H](O)[C@H]1C/C=C/CCCC(=O)O2 169290080 QVNXPVRCJMCIQT-STIQMIDKSA-N 350.499 3.913 0 1 FHAF O=C(O)COc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 220478669 DLHNDAXAEIZHON-UHFFFAOYSA-N 372.380 3.516 0 1 FHAF Cc1c(Br)cnc2[nH]c(-c3ccccc3/C=C/C(=O)O)nc12 586880925 DDMIFJUWQONRRC-VOTSOKGWSA-N 358.195 3.794 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 586891844 QSKQSDACUBCFKZ-UGSOOPFHSA-N 358.463 3.502 0 1 FHAF Cc1cncc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 586920940 AECLHKIPARGCEZ-UHFFFAOYSA-N 363.442 3.907 0 1 FHAF CCCC(Br)(CCC)c1nc2c(C(=O)OC)ccnc2[nH]1 586970675 IHZMICDSEKAZQB-UHFFFAOYSA-N 354.248 3.935 0 1 FHAF COc1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 587020404 RHABGDMIRZASFR-UHFFFAOYSA-N 360.439 3.966 0 1 FHAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 587072726 VOUPWOMMQNVJLU-UHFFFAOYSA-N 363.870 3.962 0 1 FHAF O=C(O)c1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587092797 HFAGTYONEMLXBQ-UHFFFAOYSA-N 353.325 3.978 0 1 FHAF CC1(C(=O)O)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347312 AAQJOCVLLVNRKA-DZIBYMRMSA-N 356.349 3.514 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)[nH]c(=N)n1-c1ccccc1)O2 587378128 ACIIIZOWMLRWKV-OAHLLOKOSA-N 368.824 3.535 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C)c1Oc1cccnc1)O2 587391631 SQBXPRRYRVLZSJ-KRWDZBQOSA-N 364.405 3.513 0 1 FHAF C/C=C/C[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H]1CC(=O)OC 587401879 ZNGWYHYXMKVTIF-OTTAJHKBSA-N 357.450 3.837 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4nc(C)cc4C)cc1)[C@@H](C2)C3=O 587430901 HVVNCVLCNXOQRY-PGRDOPGGSA-N 360.413 3.986 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)c(F)c1)CC2=O 587468339 WJVSJYHCWJJERV-GOSISDBHSA-N 358.365 3.977 0 1 FHAF CC(C)(C)OC(=O)N[C@H]1CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511563 LROCSMOFDXFWJQ-LAUBAEHRSA-N 357.450 3.957 0 1 FHAF C[C@H](O)c1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615014 UUELCYGFMAHZMD-WQFPPAFTSA-N 369.398 3.605 0 1 FHAF O=C(c1cc2cc(Cl)ccc2[nH]1)n1ncc2ccc(Cl)cc2c1=O 587651247 FQZMUUDZAWGIMP-UHFFFAOYSA-N 358.184 3.873 0 1 FHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 587787442 VSGQQRARAWJJNS-NWDGAFQWSA-N 372.222 3.664 0 1 FHAF COc1cc(C(C)=O)c(OC)n1CC1CCN(Cc2ccc(F)cc2)CC1 587946958 OKMZMKBZKZBCCW-UHFFFAOYSA-N 374.456 3.759 0 1 FHAF CC(C)c1nn(C)c2c1[C@@H](c1ccc(-c3ccccc3C(=O)O)o1)NCC2 962922961 XJJGVZUIUWSDIE-HXUWFJFHSA-N 365.433 3.737 0 1 FHAF COc1ccc([C@@H]2[C@@H]3CCCC3=NN2S(=O)(=O)c2ccc(C)cc2)cc1 1857595103 QGALVWOWVDVKHZ-UYAOXDASSA-N 370.474 3.905 0 1 FHAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)C4CC4)nc3[C@@H](C)[C@@H]21 2356590750 ZVTRWKMQEMZCDI-WWPPTIERSA-N 374.506 3.745 0 1 FHAF CC=Cc1ccc(O[C@@H](C)[C@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 2356606780 DIEIEAKVQCTJFH-RBZFPXEDSA-N 374.433 3.952 0 1 FHAF CO[C@H](C=Cc1ccccc1)[C@H](C)[C@H](OC)[C@H](C)C=CC(C)=CC(N)=O 2356699207 JCMQQWWEDGWMJB-BAYUQKDNSA-N 357.494 3.990 0 1 FHAF CCCCNC(=O)c1onc(CSc2ccc(C)c(C)c2)c1C(=O)O 8691318 NQWWBKPXDOCBNP-UHFFFAOYSA-N 362.451 3.812 0 3 FHAF N[C@@H](c1ccccc1)c1csc(NC(=O)NCCc2ccccc2)n1 61905448 DERQMGHMSXMSBX-KRWDZBQOSA-N 352.463 3.555 0 3 FHAF C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1c1ccccn1)OCO3 3941502 XHUJDYMSGQPXDT-CQSZACIVSA-N 372.428 3.596 0 1 FHAF CN1[C@H]2CC[C@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccsc4)cc13)C2 100632658 SMOFOLADDUHJJG-SJCJKPOMSA-N 372.515 3.764 0 1 FHAF CC[C@H]1C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@H](C(C)C)C(=O)N1 100087828 CQYQOVCXZAQFHL-TXGMUJQVSA-N 372.509 3.795 0 1 FHAF OCC[C@@H]1CN(Cc2ccccc2-c2ccco2)CCN1C1CCCC1 22932592 YGJCQOJRENCGPY-HXUWFJFHSA-N 354.494 3.758 0 3 FHAF CCC(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccccc1C(=O)O 28644268 IEFUPNFYHYQRTJ-UHFFFAOYSA-N 360.797 3.682 0 1 FHAF Cc1ccccc1[C@H](O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1 116021802 HWVDIKCLIDWHAO-HXUWFJFHSA-N 357.413 3.719 0 1 FHAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@@H](C)[C@@H]2CC[C@@H]34)C1 2356566575 MFYNPKUAXIUSHE-WXRGJOJSSA-N 371.521 3.996 0 1 FHAF CCCN1C(=O)C(C)=C(C)[C@]1(OCC1(CO)CC1)c1ccc(Cl)cc1 72123415 JCIMEQBFJMOHAN-FQEVSTJZSA-N 363.885 3.871 0 1 FHAF CN1CCN(NCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 33858303 FCJWPLVHJGKUHJ-UHFFFAOYSA-N 374.941 3.695 0 1 FHAF in-vitro C[C@@]1([C@@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(Cl)cc2)C1=O 72178061 OONQWFUJHNJNJX-YOEHRIQHSA-N 365.813 3.620 0 1 FHAF CN(C/C=C/c1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccn1 40403979 NUFSAZSMSFQENI-YJJPMGAVSA-N 361.445 3.901 0 1 FHAF CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc(F)cc2)n1 82141089 QPLQTZHWIRRRLX-GASCZTMLSA-N 370.472 3.857 0 1 FHAF COc1ccc(OC)c(CCNc2cncc(Oc3ccccc3)n2)c1 82068455 DGHFOIRTFCUZHR-UHFFFAOYSA-N 351.406 3.941 0 1 FHAF Cc1cc(C)c(S(=O)(=O)c2ccc(OC3CCNCC3)cc2)c(C)c1 95594605 REYDJSAJBYOGQA-UHFFFAOYSA-N 359.491 3.575 0 1 FHAF CC1(C)[C@@H]2CC[C@]1(C)[C@](C)(NC(=O)[C@H]1CC(=O)N(C3CCCCC3)C1)C2 253684959 UCFMNAYGTGRZRO-VYXDICFBSA-N 360.542 3.889 0 1 FHAF CCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253695564 BQWMLHMOZSVPKK-NRQSBEMSSA-N 360.542 3.602 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4[C@H]5CCO[C@H]5CC[C@@]4(C)[C@@H]2CC[C@H]1C3 299812327 RHAGZIUYLFSMDE-ILEJNFISSA-N 362.510 3.702 0 1 FHAF CNC1CCN(c2nc(NCc3ccc(F)cc3)c3ccccc3n2)CC1 299840807 WHKVNMNGTJDLRA-UHFFFAOYSA-N 365.456 3.569 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2F)N1 587730123 WUFSNEJMNJTGSZ-ABKXIKBNSA-N 353.210 3.920 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCCN3CCC[C@@H]32)[C@H]1c1ccc(F)cc1 587349896 VXXWDQXNDSCQTA-URVUXULASA-N 367.420 3.887 0 1 FHAF CC[C@]1(c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587765866 URBCOCJRVJHHBP-QLJPJBMISA-N 352.251 3.510 0 1 FHAF CCc1nccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588972 SOHGWDWHDLKDQI-UWJYYQICSA-N 362.385 3.622 0 1 FHAF Cc1c(Br)cnc2[nH]c(/C=C\C(=O)Nc3ccccc3)nc12 587244548 PCSXIXNSSBKXQX-FPLPWBNLSA-N 357.211 3.681 0 1 FHAF COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)NC(C)C 587221614 IBSUDLLTAIBLAD-UHFFFAOYSA-N 367.449 3.759 0 1 FHAF CCOC(=O)[C@@H]1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587792796 CZLFXKYNXHUYJC-AGKHESDQSA-N 370.262 3.681 0 1 FHAF O=C1C[C@@H]2C[C@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350062 HGMVMHYNRFKRND-NBEPNCHPSA-N 352.361 3.628 0 1 FHAF CCOC(=O)[C@@H]1[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@H]21)-c1ccccc1C5=O 586992749 SVFGEWWMXSIHSN-NXOUGTEYSA-N 371.392 3.601 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)c1 586921795 GAZNUFFPOZJAJD-UHFFFAOYSA-N 368.380 3.966 0 1 FHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587928225 YOTDNRZEURCAJR-SNVBAGLBSA-N 366.343 3.882 0 1 FHAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 587770915 KOTYJCCCYAQLHG-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF COc1cc2c3c(c1)O[C@](c1cccc(F)c1)(c1ccccn1)[C@@H](C2)C3=O 587428763 PHPQSIMDEHLRBA-JTSKRJEESA-N 361.372 3.921 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)nc1OC)CC2=O 587486865 MVAUWEDXNWDHHE-HXUWFJFHSA-N 357.406 3.638 0 1 FHAF CO[C@@H]1[C@H](C)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C12CCC2 587599890 IQJOFGBRAOYHMQ-XRGLSBNVSA-N 366.413 3.928 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(OC(F)F)c1)[C@@H](C2)C3=O 587419562 CTQBAIWPSQZZMU-GTNSWQLSSA-N 350.292 3.924 0 1 FHAF Cc1nccc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc12 586922300 SKULNURNXJKZNW-UHFFFAOYSA-N 363.442 3.907 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)([C@@H]1CCN(Cc4ccccc4)C1)[C@@H](C2)C3=O 587435349 FQCFKNJJXPVWAX-FHJLPGHOSA-N 363.457 3.723 0 1 FHAF Cc1nccc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 587000123 GBDBTKJFEMKOMF-IHWYPQMZSA-N 372.222 3.970 0 1 FHAF N[C@@H](Cc1ccccc1Cl)c1nc2cncc(Br)c2[nH]1 587059129 OBEKGBWMVWNDKY-NSHDSACASA-N 351.635 3.616 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ncsc1C(=O)OCC)CC2=O 587495202 NVQFMRBCIAZQAN-CQSZACIVSA-N 361.419 3.684 0 1 FHAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)c1=S 587610844 DZXJPYBKLDSFFD-YJBOKZPZSA-N 368.414 3.502 0 1 FHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccnc(Cl)c3[nH]2)cc1 587243995 FYJISACZZKZEPR-UHFFFAOYSA-N 367.796 3.751 0 1 FHAF Cc1nn(C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552194 OHRXIKGYFZDNAE-MAUKXSAKSA-N 370.792 3.790 0 1 FHAF CC(C)OC(=O)C1(c2nc3ccc(C(C)(C)C)nc3[nH]2)CC(F)(F)C1 587131761 SPWWNVOZIRBVFG-UHFFFAOYSA-N 351.397 3.874 0 1 FHAF COc1cccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1OC(C)=O 963103727 OACRLYNRUKFCTC-MGPUTAFESA-N 355.409 3.870 0 1 FHAF COc1ccc2c(c1)[C@]1(C=CO2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962634520 KNRMLURRFXMOFK-PEBXRYMYSA-N 367.445 3.739 0 1 FHAF CCCN(CCCO)CCc1ccc(OC)c(OCCc2ccccc2)c1 13795858 WDJQJNKOSAYQGG-UHFFFAOYSA-N 371.521 3.954 0 1 FHAF Cc1cc(=N)[nH]c2cc(-c3ccc(OCc4cocn4)c(CN)c3)ccc12 1857602392 JUUSNAFIFJKARW-UHFFFAOYSA-N 360.417 3.648 0 1 FHAF O=S(=O)(c1cccc2cccnc12)N1CCCC[C@H]1c1cccnc1 2465283 NDLDUDGVPMDBSD-KRWDZBQOSA-N 353.447 3.546 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NC[C@H](O)CC 4213344 ZUWVZCCWAJUVPP-PVAVHDDUSA-N 352.500 3.649 0 1 FHAF NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c1 101366349 GIEKCIRAZIHHMU-VTYHHJSWSA-N 364.489 3.793 0 1 FHAF COc1ccc2sc(NC(=O)NCc3nc4ccccc4[nH]3)nc2c1 28864062 TYBRGTOCRZCDLR-UHFFFAOYSA-N 353.407 3.503 0 1 FHAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@@H]1Cc2ccccc21 28568983 XWOWAOGKMPUIDL-JOCHJYFZSA-N 374.528 3.813 0 1 FHAF COCCn1cc2c(n1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C2 28526856 YSZGTYAHCXJWGC-KEZQHZCBSA-N 352.478 3.805 0 1 FHAF CCC=CCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@H]1CC=CCCC(=O)O1 2356674363 FGQRGNDJJATRPA-HGJUEJDCSA-N 360.494 3.855 0 1 FHAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3C=Cc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12 2356836060 KWQSIDFPQBLAMV-RXMXQMHTSA-N 350.418 3.607 0 1 FHAF Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)C(F)(F)F)s1 34512456 CIJYDCGGLRNCFP-JAIQZWGSSA-N 354.275 3.856 0 1 FHAF CC(C)c1ccc(COCc2ccc(-n3cc(C(=O)O)cn3)nc2)cc1 40584417 YTNMSECAXMDBJG-UHFFFAOYSA-N 351.406 3.806 0 1 FHAF Cc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2)sc1C 82163044 LXHXPERVYSXUFB-UHFFFAOYSA-N 366.490 3.845 0 1 FHAF CCCCOc1cnc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)cn1 145412741 WCRZDULJXSERSJ-UHFFFAOYSA-N 366.450 3.905 0 1 FHAF CC(C)N1CCCN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CC1 95552093 MRMHKPMMJUGFOQ-QFIPXVFZSA-N 350.506 3.956 0 1 FHAF COc1ccc([C@H]2COc3cc(O)cc(O)c3C2=O)cc1CC=C(C)C 95572082 MGSNGDMLFQANLV-MRXNPFEDSA-N 354.402 3.974 0 1 FHAF biogenic Cc1[nH]c2cc(Cl)c(F)cc2c1[C@@H](NC(=O)OC(C)(C)C)C(=O)O 587631599 QGCXDMBTGDJBGL-CYBMUJFWSA-N 356.781 3.919 0 1 FHAF N[C@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F 587157302 SGBMWYGUYUTTAK-MGPLVRAMSA-N 351.303 3.942 0 1 FHAF COc1ccc(C[C@H](C)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1OC 587926270 MDSCUWZRRATVTP-BBATYDOGSA-N 354.410 3.650 0 1 FHAF COC(=O)c1ccc(C=O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523456 IXRSYNSZVAKOPY-HXUWFJFHSA-N 364.397 3.871 0 1 FHAF Cc1ccc2c(n1)NCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595913 PVLQDYROIZZVQB-AVRDEDQJSA-N 374.396 3.768 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)c(N)c2)N1 587747222 KRAGSOJSNWWTCR-XYZCENFISA-N 364.262 3.550 0 1 FHAF COC(=O)Cc1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1 587783000 BYAYHSJDIWFTLS-UHFFFAOYSA-N 363.186 3.847 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)OC)cc1)CC2=O 587481448 MKCPGQHAOQPVMN-LJQANCHMSA-N 370.401 3.603 0 1 FHAF COc1ccc(-c2ccc(-c3nc4cnnc(O)c4[nH]3)c(F)c2)c(F)c1 587153344 YUSVZAVMRLZNBT-UHFFFAOYSA-N 354.316 3.679 0 1 FHAF Cc1cc(Br)c2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2c1 587961624 MDCBNRZLGMAUMD-UHFFFAOYSA-N 359.223 3.852 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](O)C2(C)C)N1 587821857 KDUXGZXRZGEZNU-SVKFGRERSA-N 356.279 3.889 0 1 FHAF Cc1nc(N(C)C)ncc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587194454 GHBLAWLJJXMLRC-UHFFFAOYSA-N 366.650 3.810 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@@]1([C@H]1CCOC1)C(F)(F)F 962371977 IMCILLCAESJPIT-GUYCJALGSA-N 370.440 3.939 0 1 FHAF COc1cc(CC(=O)O)ccc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963116254 WDQLLKJJZPNYNX-IERDGZPVSA-N 355.409 3.571 0 1 FHAF CN(C)c1ccnc2sc3c(=O)n(-c4ccc(C5CC5)cc4)cnc3c12 13676112 KPZFXWLIJHOOKE-UHFFFAOYSA-N 362.458 3.939 0 1 FHAF Cc1cccc(N2CCN(CCc3c(C)n4c5c(cccc35)CCC4)CC2)n1 13740396 XOKSCHCXXBHOGH-UHFFFAOYSA-N 374.532 3.964 0 1 FHAF COc1ccc2c(c1)CC[C@H](C(=O)c1ccc(OC)c(OC)c1OC)C2 1857758846 BVTBSIHMHZKEDS-HNNXBMFYSA-N 356.418 3.709 0 1 FHAF C[C@](O)(/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O)Cc1ccccc1 13488387 IGVPZJXNGDQLRO-LPMGRZKESA-N 373.493 3.562 0 1 FHAF Nc1nc(N)c2cc(CNc3cc(Cl)c(Cl)c(Cl)c3)cnc2n1 13529611 YBAHCADCDYNXKD-UHFFFAOYSA-N 369.643 3.762 0 1 FHAF CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCCN1CC(C)=O 26746406 CFPTVYJKMJFLGL-OSCSJMNISA-N 356.510 3.674 0 1 FHAF C[C@H](Nc1nc(F)nc(NCCOc2ccccc2)n1)c1ccccc1 28336917 VWNSZGBGZLGNLF-AWEZNQCLSA-N 353.401 3.675 0 1 FHAF CC(C)c1ccc(S(=O)(=O)Cc2ccc([C@]34CNC[C@H]3C4)cc2)cc1 35309413 VYMPWSGDTBOYFF-CTNGQTDRSA-N 355.503 3.645 0 1 FHAF Cc1cccc(C)c1CNc1cc(-n2cnccc2=O)cn2c(C)c(C)nc12 40430105 XIZBFDTZSLSHTR-UHFFFAOYSA-N 373.460 3.726 0 1 FHAF COc1ccc(C(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)cc1F 66074247 RFHYIXYQGMIPAC-UHFFFAOYSA-N 359.353 3.572 0 1 FHAF COc1ccc(Oc2c(Cl)cnn(-c3cccc(OC)c3)c2=O)cc1 66103619 AKNGGPYBXULRJE-UHFFFAOYSA-N 358.781 3.695 0 1 FHAF COc1ccc(/C=C(/c2cc(OC)c(OC)c(OC)c2)[C@@H](C)O)cc1OC 71330601 LGCWXFIFBIMJIM-BPKVKKHESA-N 374.433 3.651 0 1 FHAF CCc1cc(Nc2nc3ncn(CCCCCOC)c3c(=O)[nH]2)ccc1C 72170640 ARSXHLHLQPFYFG-UHFFFAOYSA-N 369.469 3.551 0 1 FHAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2ccco2)C1 82142301 AILVZVFJXGUWCC-HOTGVXAUSA-N 368.481 3.988 0 1 FHAF COc1ccc(NC(=O)[C@@H]2C(C)=Nc3[nH]ncc3[C@H]2c2ccccc2)cc1 169724306 LNEHQIIXFLTJKG-RTBURBONSA-N 360.417 3.911 0 1 FHAF COc1cc2c(c(OC)c1OC)[C@H](c1cc(Cl)ccc1F)NC(=O)N2 208133918 MSRQGOKANUJOMV-AWEZNQCLSA-N 366.776 3.729 0 1 FHAF CCOC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)nn1C 299864224 QWNBLFQEPWDBTP-UHFFFAOYSA-N 371.437 3.685 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 586915726 HAOXUJCTCMCNDR-VOJFVSQTSA-N 359.788 3.967 0 1 FHAF Oc1nc2cc3nc(-c4cccnc4NCc4ccccc4)[nH]c3cc2[nH]1 587229143 AFNMXSKQFCTYFD-UHFFFAOYSA-N 356.389 3.819 0 1 FHAF CN1CCC[C@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 587342717 GTNQFCAJFQJZBS-ZAOYMGCJSA-N 369.436 3.991 0 1 FHAF COC(=O)C1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587349011 IAXKXFBKXWXEOG-YLJYHZDGSA-N 370.376 3.602 0 1 FHAF CCOC(=O)C(F)(F)[C@@H]1CCC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587383281 VMEWJDDYESDAMX-KZULUSFZSA-N 367.392 3.670 0 1 FHAF CCOC(=O)c1[nH]c2c(c1C)[C@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587397125 SWLNGRPBVUNKPC-NRFANRHFSA-N 368.433 3.587 0 1 FHAF C/C=C\C[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1CC(=O)OC 587401882 ZNGWYHYXMKVTIF-UURDDVFASA-N 357.450 3.837 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)O[C@H](C)c1ccccc1)O2 587402223 VZLVFOBCVTXXOG-SZNDQCEHSA-N 353.418 3.996 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OC(=S)N(C)C)c1)O2 587408631 CJHTYBKNQFHAOD-QGZVFWFLSA-N 356.447 3.509 0 1 FHAF CCCCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 587414221 RMGFBRGQNYWHHA-LJQANCHMSA-N 359.495 3.857 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)NC(=O)CO3)CC2=O 587480662 FTFAIGRGFRUBCO-NRFANRHFSA-N 367.401 3.556 0 1 FHAF COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1N 587749666 PZLAHENNOSTWNI-HUTHGQBESA-N 365.246 3.803 0 1 FHAF COCCn1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757933 WEYHGTYHNGGCFI-APPDUMDISA-N 367.262 3.660 0 1 FHAF CCCn1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587761392 BAGJHCQEBUGQLZ-DIFFPNOSSA-N 366.278 3.992 0 1 FHAF C=Cn1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587763646 KWRRJNVSTSFBBA-JDNHERCYSA-N 350.235 3.817 0 1 FHAF Cc1cnc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587768940 FEPBPLMJKGVBLL-HUTHGQBESA-N 364.262 3.793 0 1 FHAF COCC(=O)C[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798411 ZWILWTCAAZIPDA-PIGZYNQJSA-N 372.278 3.579 0 1 FHAF COCc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587850970 GZGCCIMSSURTHJ-ANRSDYALSA-N 371.275 3.815 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)n(C(F)F)n1 587871418 WLNZGJQSDQSWME-UHFFFAOYSA-N 364.327 3.676 0 1 FHAF COc1ccc(C[C@@H](C)c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1OC 587926203 KNOPHIKNSACLEJ-SNVBAGLBSA-N 352.394 3.508 0 1 FHAF COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1N[C@@H](C)Cc2c(OC)ccc(OC)c21 963632670 GNPOLWLWKSPQBU-LAJNKCICSA-N 367.449 3.659 0 1 FHAF C[C@H](O)c1cc(C(=O)N[C@@H](C)c2c(F)cccc2F)ccc1-c1cn[nH]c1 1772653066 YVTWDJQRSGSDSG-RYUDHWBXSA-N 371.387 3.899 0 1 FHAF O=C(Nc1ccn2cc(-c3cccc(F)c3F)nc2c1)N1CC[C@H](F)C1 1772654073 SVANJFMDRQUFJB-NSHDSACASA-N 360.339 3.855 0 1 FHAF COc1ccc(C(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1OC 1857600292 XDKXEEXTLWFEGQ-HNNXBMFYSA-N 365.433 3.600 0 1 FHAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2C1CCCC1 1911576644 VGSWXAWKWAMEKH-UHFFFAOYSA-N 364.331 3.730 0 1 FHAF CC(=O)[C@H](O)C(=CCO)[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)O1 2356610400 ZRCMCFDZTMUNHB-KPYMMKSZSA-N 364.526 3.645 0 1 FHAF NC(=O)c1cccc(-c2ccc3c(c2)N(Cc2ccccc2)C(=O)COC3)c1 205220877 OUNBMJMYTRPZJU-UHFFFAOYSA-N 372.424 3.516 0 3 FHAF CONC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 103176992 NVAHIMFGCBTOOZ-SECBINFHSA-N 357.193 3.626 0 1 FHAF Cc1noc(NCc2ccncc2)c1C(=O)Nc1cnc2ccccc2c1 28890133 UDHKODIVPIKFSC-UHFFFAOYSA-N 359.389 3.791 0 1 FHAF COc1cc([C@H]2CN=C(c3ccc4ccn(C)c4c3)O2)cc(OC)c1OC 27523304 LXZGOXXECDFFQU-LJQANCHMSA-N 366.417 3.722 0 1 FHAF COc1cccc2c1CC[C@@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117412972 IGHSTADROFWTPQ-OXQOHEQNSA-N 361.445 3.906 0 1 FHAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cccc(O)c3)cc2)C[C@H]2CC[C@H]1N2C 100801932 TTXGYEDMFZIQNY-GFOJFJKKSA-N 351.446 3.799 0 1 FHAF CSc1ccc(-c2cc(-c3ccncc3)nc(N3CCOCC3)n2)cc1 28128802 ZRFDUIMUXADOCL-UHFFFAOYSA-N 364.474 3.764 0 1 FHAF O=C(c1ccc(Cl)c(Cl)c1)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 74378524 COTRLQWRDRCQLZ-XJKSGUPXSA-N 361.228 3.869 0 3 FHAF COc1cc(O)c2c(c1CCC(C)(C)O)O[C@@H](c1ccccc1)CC2=O 14721585 OHGGGSHTYPJICB-QGZVFWFLSA-N 356.418 3.811 0 1 FHAF biogenic O=C(O[C@H](C(=O)NCc1ccccc1)c1cccs1)c1ccccc1 34170606 XFPVZVGJSNSZAF-SFHVURJKSA-N 351.427 3.963 0 1 FHAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H]1C[C@H]1C3=O 45244878 AVTPWFGFXAGIEH-OLZOCXBDSA-N 352.386 3.893 0 1 FHAF CC[C@H](C)N(C[C@@H](O)CNc1cc(OC)cc2cccnc12)[C@@H](C)CC 40933587 CMUQIECDLISBIR-BQFCYCMXSA-N 359.514 3.915 0 1 FHAF COc1cccc(Cn2[nH]c(C(F)(F)F)c(Cc3ccccc3)c2=O)c1 148072085 UPVLQPSBHRWJKS-UHFFFAOYSA-N 362.351 3.843 0 1 FHAF COc1ccc(CN2CCO[C@H](COc3cccc(F)c3)C2)cc1Cl 653714963 JDELRIWFPMBFNY-KRWDZBQOSA-N 365.832 3.768 0 1 FHAF O=Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587608910 NJXWVQUZXOASJL-GHTZIAJQSA-N 362.337 3.613 0 1 FHAF COc1ccc(C[C@H](C)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1OC 587926736 OJPPAJRBMUFMIU-VIFPVBQESA-N 366.343 3.687 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(C[C@@H](N)c3ccccc3Cl)nc2c1 587058383 UUBSIHVZJPLTIY-CYBMUJFWSA-N 364.232 3.899 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587232069 SJJXRLCRPHSNJB-WDEREUQCSA-N 370.280 3.906 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C2CC2)nn1 587867804 BTERHSARHGAWEU-UHFFFAOYSA-N 361.327 3.629 0 1 FHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C)cnc2[nH]1 587113631 QUEBCGNURYTBGB-QGZVFWFLSA-N 362.355 3.685 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3c(n2)SCC3)N1 587857546 RPGFLHIYQZAZPI-CLAHSXSESA-N 368.275 3.514 0 1 FHAF COc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cn1 587241528 FFBARNOSDOITFC-UHFFFAOYSA-N 356.382 3.686 0 1 FHAF Cc1nccn1CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587755089 ODNTUHGGICEXGG-GTNSWQLSSA-N 366.278 3.933 0 1 FHAF Cc1c(Br)cnc2[nH]c([C@@H](C)Sc3ncccn3)nc12 586961796 LVJBDDLRQMRUJV-MRVPVSSYSA-N 350.245 3.672 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CCO[C@H]1C21CCC1 587837865 LDDJZTYQTWFVGH-QRNKATFGSA-N 366.274 3.907 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1csc4cnc(Cl)nc14)[C@@H](C2)C3=O 587452421 MVIRNZZFKBOEJF-XXFAHNHDSA-N 358.806 3.842 0 1 FHAF CCOC(=O)[C@@H]1CCc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587401813 YXAPLCYDNXHZGE-HTAPYJJXSA-N 365.429 3.563 0 1 FHAF O=C1C[C@@H](c2ccc(CN3CCOCC3)o2)Oc2c1ccc1c2CCCC1 587518098 AMFLXTUMRRNLMF-NRFANRHFSA-N 367.445 3.697 0 1 FHAF Oc1nc(O)c2cc3c(nc2n1)C=CC(c1ccccc1)(c1ccccc1)C3 587562158 QCBFWQKDUNZRKH-UHFFFAOYSA-N 367.408 3.992 0 1 FHAF CCC[C@H](C[C@@H]1NCCc2c1c(C(C)C)nn2C)NC(=O)OC(C)(C)C 962915044 SZFAUGOCQZEXBK-CABCVRRESA-N 364.534 3.814 0 1 FHAF Cn1c([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc2cc(Cl)ccc21 962919658 KHCRLGUDJXUBRE-YJBOKZPZSA-N 358.800 3.659 0 1 FHAF COCCN1CCC(CN(Cc2ccncc2)Cc2ccsc2)CC1 11820662 SRIFFQCZFXZFJZ-UHFFFAOYSA-N 359.539 3.504 0 1 FHAF CC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3ccc(Cl)cc3)nc21 13475182 HEXWBQZHTKQNAU-UHFFFAOYSA-N 354.797 3.508 0 1 FHAF COc1ccc2ccc(=O)oc2c1-c1c(OC)ccc2ccc(=O)oc12 13482080 IOLIWNMGVYEBIW-UHFFFAOYSA-N 350.326 3.584 0 1 FHAF biogenic,in-vitro C/C=C\c1ccc(O[C@@H](C)[C@@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 14647933 DIEIEAKVQCTJFH-ZYNMUTKFSA-N 374.433 3.952 0 1 FHAF endogenous,in-man C[C@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 17252788 JKQJZONEAFJYTO-SKOKVVANSA-N 353.418 3.703 0 1 FHAF O[C@@]1(c2ccc3c(c2)Nc2ccccc2S3)CN2CCCC[C@@H]2CO1 169307084 FDTHFZBIIQURTN-QRWLVFNGSA-N 354.475 3.925 0 1 FHAF CNc1nc(Nc2cc3c(cc2Cl)C(=O)N(C)C3)ncc1C(F)(F)F 169704566 VZOGMVPYPPPATA-UHFFFAOYSA-N 371.750 3.520 0 1 FHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CCO)cc21 1857596701 YYUZHMZMPXWWQN-UHFFFAOYSA-N 372.468 3.875 0 1 FHAF CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)c1 4081795 ZHOFIIWDXHXMFA-IEBWSBKVSA-N 372.852 3.919 0 1 FHAF CCCN(C/C=C/I)[C@H]1CCc2c(O)cccc2C1 13739884 LYFXQSOWXVVQIV-MDDUGHTDSA-N 371.262 3.910 0 1 FHAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccncc2)C2=C(O)CCCC2=N1 19761227 WBAMGZSSYGJFAC-BEFAXECRSA-N 368.433 3.612 0 1 FHAF Cc1ccc(-c2cc(-c3ccncc3)nc(N3CCN(C)CC3)n2)cc1C 28473664 VBTVTNSJDCYICW-UHFFFAOYSA-N 359.477 3.574 0 1 FHAF Cc1cc(CCCCCCCOc2ccc(C3=N[C@@H](CO)CO3)cc2)on1 28761187 UZLKTKMUKCZQRE-SFHVURJKSA-N 372.465 3.693 0 1 FHAF Clc1ccc(-n2ccc(OCCCCN3CCOCC3)n2)cc1Cl 35942509 MANNXHNTCUQPLH-UHFFFAOYSA-N 370.280 3.670 0 1 FHAF O=C(N[C@H]1CC[C@@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66066585 OIGAFTWBRBUMAJ-WDEREUQCSA-N 374.746 3.657 0 1 FHAF CCN(CC)CCCNc1cc(C)nc2cc(-c3cccc(F)c3)nn12 72100973 NJZJNJOIHYUUTQ-UHFFFAOYSA-N 355.461 3.988 0 1 FHAF Cc1nnc(N2CCCC2)c2nn(-c3ccc(OC(C)C)cc3)c(C)c12 72110387 GPVQFLNMUGKFCX-UHFFFAOYSA-N 351.454 3.820 0 1 FHAF CCOC(=O)/C=C/c1cccc(OC)c1OCc1nc(C)c(C)nc1C 73139092 WLBAROJSOQLANN-ZHACJKMWSA-N 356.422 3.566 0 1 FHAF Cc1ccc(Cn2cnc(C(=O)N(C#N)Cc3ccc(F)cc3)c2C)cc1 82151292 UUYLQUVIAOYHCD-UHFFFAOYSA-N 362.408 3.811 0 1 FHAF CC(C)Cc1nc2c(NCc3ccccc3)ncnc2n1C[C@@H]1CCCO1 82178551 PYFNMDASHRSMEK-KRWDZBQOSA-N 365.481 3.816 0 1 FHAF COCCn1c(CC(C)C)nc2c(NCc3cccc(Cl)c3)ncnc21 82221804 TURDUVPOHBIIKP-UHFFFAOYSA-N 373.888 3.937 0 1 FHAF COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 139655767 KLDLDBNUSYRDQT-JRQYWZTFSA-N 369.505 3.540 0 1 FHAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@]12C1CCC1 299830881 YNXNMBVNUGTWOS-OAQYLSRUSA-N 368.383 3.530 0 1 FHAF Cc1cnc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2c1 586999523 FIVXRASSVZQMLW-UHFFFAOYSA-N 372.178 3.508 0 1 FHAF O=C1C[C@@H](Cc2nc3cccc(O)c3[nH]2)c2c(Br)cccc2O1 587004094 QPJTZRJIOBKZFQ-SECBINFHSA-N 373.206 3.666 0 1 FHAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 587026225 BJMRENXYHBTAJT-UHFFFAOYSA-N 351.391 3.761 0 1 FHAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncnc(N)c4[nH]3)c21 587030961 MTHACMLVDMBECQ-SNVBAGLBSA-N 350.451 3.894 0 1 FHAF Cc1n[nH]cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349484 UVRVKFOYEJVRQM-UYAOXDASSA-N 352.365 3.837 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1OC)C[C@H](C)O4)[C@@H](C2)C3=O 587456628 WFIZKUVIXZPNTQ-QYAMTVPHSA-N 352.386 3.516 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(NC(C)=O)nc1C)CC2=O 587493402 GUQJZTZMKONHOM-IBGZPJMESA-N 374.462 3.949 0 1 FHAF CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587580923 JXAYIZZNPZVEHM-YLJYHZDGSA-N 350.374 3.702 0 1 FHAF Cc1[nH]nc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594994 MDDVCVUVCZBCAT-NQIIRXRSSA-N 362.385 3.617 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cnn2C)N1 587697249 NCDVFLRTLVSXNP-UHLUBPPHSA-N 358.642 3.599 0 1 FHAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587773632 RBSVCUWLFXNHDQ-BMLIUANNSA-N 365.246 3.790 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)cc2)N1 587824682 CLEDKXSNJIZNCR-FVMDXXJSSA-N 364.214 3.910 0 1 FHAF O=C(N[C@H]1COc2ccccc2NC1=O)c1cccc(Oc2ccccc2)c1 653726480 AWXYMMISTIIAIH-IBGZPJMESA-N 374.396 3.608 0 1 FHAF COc1ccc2c(c1OC)[C@](C)(c1ccc3nn(C)cc3c1)N(C)[C@H](C)C2 962617206 BUJZJAQEVARTMI-PEBXRYMYSA-N 365.477 3.730 0 1 FHAF CCCCOc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)ccc1OC 962905074 YFBHXVWVEDSJCX-PXNSSMCTSA-N 373.424 3.702 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc3[nH]nc(C(=O)O)c23)N1 962941387 DTRXRAGBHKWTSK-BBATYDOGSA-N 360.417 3.756 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@](C)(c3cccc(N4CCCC4)c3)c3cccc1c32 963021372 GRBRPLXVPZQBAV-MWTRTKDXSA-N 361.489 3.604 0 1 FHAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)o1 1857647908 QQMRBUUPHPWYOK-LJQANCHMSA-N 358.401 3.583 0 1 FHAF C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356415637 QTNGLMWAVBOBLJ-ISNZBQNRSA-N 363.586 3.927 0 1 FHAF COC(=O)[C@]1(C)CCC[C@@]23[C@@H]1CC[C@H]1[C@@H](C)c4ccoc4[C@@H](O[C@H]2O)[C@H]13 2356565139 QHXCPQZUMLSNGR-ROWCJYAZSA-N 360.450 3.778 0 1 FHAF CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc2ccccc2n1 61897288 MWHPDDYCSPUEKW-NRFANRHFSA-N 353.466 3.536 0 3 FHAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(C3CCCCC3)C2)O1 96018971 HGLILSBGTRAIRX-FPOVZHCZSA-N 350.547 3.981 0 3 FHAF CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(O)ccc23)C1(C)C 14975824 YKPXWJVHLHTGOJ-UHFFFAOYSA-N 370.493 3.544 0 1 FHAF O=C(C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1)N1CCCCC1 21714264 GCAPEJCRURJDML-UHFFFAOYSA-N 374.872 3.619 0 1 FHAF Cc1nc2c(C(=O)N3CCc4[nH]nc(CC5CCCC5)c4C3)cccc2[nH]1 23231739 GYUTUYDHWOIIDD-UHFFFAOYSA-N 363.465 3.526 0 1 FHAF Cc1cc(OC[C@H](O)CCN2CCN(c3ccccc3)CC2)ccc1Cl 29486116 IUXPVVHSMQQCAP-LJQANCHMSA-N 374.912 3.600 0 1 FHAF O=c1oc2ccc(Cl)cc2c(=O)n1Cc1ccc(Cl)c(Cl)c1 33816207 KUSPJHISYTXOKV-UHFFFAOYSA-N 356.592 3.963 0 1 FHAF Cc1cc(-c2cccc(F)c2)ncc1[C@H]1CCCN1C(=O)c1cnccn1 72176016 MPHZGUFVXAWBHR-HXUWFJFHSA-N 362.408 3.963 0 1 FHAF O=C(NCC1CC1)c1cnc(NC2CCCC2)nc1-c1ccccc1F 82217090 HZSXTSAGPFHZJU-UHFFFAOYSA-N 354.429 3.777 0 1 FHAF CNC(=N)NC[C@]1(C)[C@H]2CC3=C(C(=O)O)CC[C@]31[C@H](C)CC21CCCC1 85549103 ZKDWDFRZWOXPNM-SAIJHRFQSA-N 359.514 3.518 0 1 FHAF biogenic,in-vitro COc1cc([C@@H]2COc3cc4occc4cc3C2=O)cc(OC)c1OC 95486069 UVOSYRNAYALXRL-AWEZNQCLSA-N 354.358 3.818 0 1 FHAF biogenic,in-vitro CCn1cc(-c2ccccc2)nc1[C@H]1C[C@H]1c1nc2c(C)ncc(C)n2n1 96177982 CISKNCAOUCLBQG-SJORKVTESA-N 358.449 3.896 0 1 FHAF Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)cc(F)c3F)sc2n1 96934911 RKFVBOWXWMJUEM-UHFFFAOYSA-N 365.380 3.843 0 1 FHAF CC1(C)CC2=Nc3nc(S)nc(O)c3[C@@H](c3cccnc3)C2=C(O)C1 103896637 ALGHATRFKBQRID-LBPRGKRZSA-N 354.435 3.716 0 1 FHAF Cc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3nc(O)nc(O)c32)cc1 104090417 IMOALRSTYBYANI-AWEZNQCLSA-N 357.369 3.745 0 1 FHAF CCCCC[C@H](O)C[C@H](CCc1ccc(OC)c(OC)c1)OC(C)=O 146527258 FMCCXDZGPAZABL-ROUUACIJSA-N 352.471 3.899 0 1 FHAF COc1cc2ncnc(Nc3ccc(NC(C)=O)c(C)c3)c2cc1OC 169324387 WHVPFYPTUQJKGH-UHFFFAOYSA-N 352.394 3.657 0 1 FHAF C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 257767871 ZICGJBPBLVXOBM-ZSMYUXGJSA-N 372.505 3.524 0 1 FHAF CCn1c(-c2ccc(Oc3ncccc3Cl)cc2)c(C)c(O)nc1=O 261183108 WMXDMVBUWPLYFX-UHFFFAOYSA-N 357.797 3.785 0 1 FHAF O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccc[nH]1 473153620 BTNXCWBPIAGXEU-UHFFFAOYSA-N 365.776 3.721 0 1 FHAF O=C1COc2cc3[nH]c(-c4ccc5cc(Cl)ncc5c4)nc3cc2N1 587085436 SLCOSNVLXGGWNT-UHFFFAOYSA-N 350.765 3.762 0 1 FHAF CC(C)OC(=O)C1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CC(F)(F)C1 587129927 AALPOCFZZWFDOB-UHFFFAOYSA-N 364.179 3.883 0 1 FHAF C[C@@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)C=C(c2ccccc2F)NO1 587154678 GBDLUJGIESDUJM-INIZCTEOSA-N 364.302 3.907 0 1 FHAF CN(C)C(=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587161579 XVHHBIMQMRVPIR-UHFFFAOYSA-N 362.202 3.833 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2cc(F)cc(F)c2[nH]1)C[C@H]1CCCO1 587196837 CVXDVFZGDWKBPO-GFCCVEGCSA-N 367.396 3.757 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(-n4nc(C)cc4C)c1)[C@@H](C2)C3=O 587430445 FSEVRZBJKIUEST-AVRDEDQJSA-N 360.413 3.986 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CC(=O)OC)s1)CC2=O 587493427 HFLCYOQXEPODIF-MRXNPFEDSA-N 360.431 3.828 0 1 FHAF C[C@]1(COC(=O)c2ccccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587511601 QOOORYZBDHPEGZ-JOCHJYFZSA-N 365.429 3.729 0 1 FHAF CC(C)(C)OC(=O)N1CC[C@@H]1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518011 YTAJGQYYVMCUFA-SJLPKXTDSA-N 357.450 3.909 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(Cl)n1 587552010 MCVPZNOTTCEIMG-YJBOKZPZSA-N 369.760 3.849 0 1 FHAF COc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587730716 XSXKHNUEHHDKCH-VXJOIVPMSA-N 369.209 3.755 0 1 FHAF COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1N 587749670 PZLAHENNOSTWNI-XYZCENFISA-N 365.246 3.803 0 1 FHAF CCc1nccn1C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755008 NPIJORDTTBIDND-PIGZYNQJSA-N 366.278 3.797 0 1 FHAF CCOC(=O)[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795270 IGEKLOVWQPCBIE-GTNSWQLSSA-N 372.278 3.927 0 1 FHAF COc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587856211 WTRJYPUJGCSMEI-FUXBKTLASA-N 357.248 3.677 0 1 FHAF COc1cc2c(cc1OC)[C@@](C)(c1nc3c(s1)CCC3)N(C)[C@H](C)C2 962618808 DWTGFOXDCNZBLK-ODXCJYRJSA-N 358.507 3.789 0 1 FHAF CCCCn1c([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)nc2ccccc21 963032853 TZEZMXXPNBJHJY-NYHFZMIOSA-N 374.488 3.979 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(Br)cn1 963062774 XMZRUYJWXPMTOM-GOSISDBHSA-N 370.250 3.636 0 1 FHAF C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3cnn4cccnc34)cc21 1857534890 AMFUWYFQXATMRX-QFIPXVFZSA-N 354.413 3.849 0 1 FHAF COc1cc(-c2cnc3c(NC4CCOCC4)snc3c2)ccc1N 1857749364 HCKOHFRTFNXAFI-UHFFFAOYSA-N 356.451 3.540 0 1 FHAF COC(=O)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356565365 ASEMPYULZYUTQF-QTNKNIOLSA-N 360.494 3.957 0 1 FHAF COc1cc(O)c2c(c1C=CC(C)(C)O)O[C@H](c1ccccc1)CC2=O 2356568027 DTIQAJRSEBJNKG-KRWDZBQOSA-N 354.402 3.891 0 1 FHAF CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(C)c(C)c1 2382217903 DHLQAEGABGRECV-XJKSGUPXSA-N 358.463 3.515 0 1 FHAF CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1cc(C)on1 4093156 HPILOPASTLEWIC-UHFFFAOYSA-N 357.435 3.833 0 3 FHAF O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CCCCC1 2466662 HOMMVEDPAZBKRL-NHCUHLMSSA-N 360.457 3.536 0 1 FHAF CC(=O)c1ccc(O[C@@H]2C=C[C@@H](c3ccc(Cl)cc3)O[C@@H]2CO)cc1 7992522 WAARVUWZNIKQDS-XUVXKRRUSA-N 358.821 3.979 0 1 FHAF Cc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)[C@@H]2N3C)cc1 13470189 HSSFUESYZZQIIN-CTNGQTDRSA-N 351.450 3.975 0 1 FHAF Cc1ccc2c(c1)[C@@H](O)[C@H](N1CCC(c3cccc4c3OCCO4)CC1)C2 13471802 FIMQQCSPXAMCSD-IFMALSPDSA-N 365.473 3.604 0 1 FHAF CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 13905023 ZFOBGKZKFOAYTR-MMAISAOVSA-N 350.842 3.521 0 1 FHAF CCCC(=O)c1c2c(c(O)c3c(CCC)cc(=O)oc13)C[C@@H](O)C(C)(C)O2 14586087 JKOPHYFSGRCMOF-CQSZACIVSA-N 374.433 3.508 0 1 FHAF endogenous,in-man CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3ccccc23)on1 40404890 BXFIYGZRMUTKJA-UHFFFAOYSA-N 366.295 3.997 0 1 FHAF CN1CC[C@@]2(Cc3ccncc3)c3ccccc3N(Cc3ccncc3)[C@H]12 40845339 NQWMDCHHKKVXGW-XZOQPEGZSA-N 356.473 3.639 0 1 FHAF COc1ccc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)cc1 45391543 JSZIPAHIENKVNY-UHFFFAOYSA-N 371.396 3.856 0 1 FHAF Cc1nn(C(=O)c2ccc(F)cc2)c2c1nnc1cc(Cl)c(F)cc12 95560506 LARHRPSRRMYGJI-UHFFFAOYSA-N 358.735 3.908 0 1 FHAF Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCCCCc2cccc(F)c2)c1 95921096 AQTALODLFZOZJL-GHTZIAJQSA-N 371.500 3.671 0 1 FHAF in-vitro CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1nc2ccccc2[nH]1 101725940 BQQKUFSBVPHZQM-BYFYWULKSA-N 369.421 3.764 0 1 FHAF C[C@H](C(=O)O)[C@@]1(CCc2ccoc2)O[C@@H](O)[C@H]2C(C)(C)CCC[C@@]21C 238784726 ILDYTTOXFAJMBX-SYOYXXOUSA-N 350.455 3.853 0 1 FHAF Oc1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 586999880 CXQUPHAGQQPYIB-PLNGDYQASA-N 373.206 3.973 0 1 FHAF Cc1c(Br)cc2nc([C@H](N)Cc3cscn3)[nH]c2c1C 587027497 DYQYHAJSJKEKIG-LLVKDONJSA-N 351.273 3.641 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Cl)ncc2[nH]1 587044095 YZKKIVNMPSVECZ-LBPRGKRZSA-N 365.245 3.920 0 1 FHAF COc1cc(-c2nc3cncc(Br)c3[nH]2)cc(Cl)c1O 587045714 DNQPVNRCLXXHGZ-UHFFFAOYSA-N 354.591 3.755 0 1 FHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Cl)nc3[nH]2)C(F)(F)C1 587132743 UPZKLUSGWQQDFM-MRVPVSSYSA-N 358.776 3.581 0 1 FHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(Cl)c3[nH]2)cc1 587225427 QTAMTPNRTWWCGQ-UHFFFAOYSA-N 372.812 3.715 0 1 FHAF CC[C@]1([C@@H](C)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350910 LVAWJQQTZWWAOE-JPHFQCMKSA-N 372.392 3.848 0 1 FHAF CC1(C)CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351231 ZLZBGOFKDQCBPC-WIYYLYMNSA-N 355.409 3.649 0 1 FHAF CC(C)C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354488 QTKYNRCLVMXQAI-XLIONFOSSA-N 358.365 3.760 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3CC(C)(C)C3=O)c1)O2 587396260 REYMJBBSUOPYGF-QFIPXVFZSA-N 364.445 3.831 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(OC)c1)[C@@H](C2)C3=O 587420165 DTIDQHDTTSBRQB-KPZWWZAWSA-N 362.328 3.794 0 1 FHAF CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443145 UPLJUXTYUFAIGX-VGSWGCGISA-N 366.413 3.518 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cc(O)cc1OC)CC2=O 587476166 DVYUGXMUYBCRSD-GOSISDBHSA-N 358.390 3.774 0 1 FHAF CCO[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCOCC2 587536928 YRNIGIHFNULWEG-DENIHFKCSA-N 356.462 3.875 0 1 FHAF Cn1ncc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc21 587581767 MLWUGYXENGPLJC-KNQAVFIVSA-N 372.380 3.982 0 1 FHAF C[C@@H]1C[C@H](C(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587611333 SGGMNWGCTRJHTB-APVNGSAXSA-N 368.385 3.613 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)OCCO3)N1 587837008 CVXCZOWZDQTSMW-NSHDSACASA-N 370.262 3.635 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3OC(C)(C)O[C@H]32)N1 587839523 SSHUMFGTMAGFPA-ZGCAUMFFSA-N 370.262 3.632 0 1 FHAF NC(=O)N1CCc2sccc2[C@]1(c1ccccc1)c1ccc(O)cc1 962694857 BPDSXYKKBKMWLJ-FQEVSTJZSA-N 350.443 3.682 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]31CCCC[C@@H]1C(=O)C(C)C 963035240 MXHVKYZSMORZLS-VGOFRKELSA-N 352.478 4.000 0 1 FHAF O=C1c2nccc3c2C[C@H]1N[C@@]31CCc2ccc(OCc3ccccc3)cc21 963288888 HDKLJKUPOAISRX-QPPBQGQZSA-N 368.436 3.561 0 1 FHAF CCOC(=O)[C@@]1([C@H]2CCC(C)(C)CC2=O)NCCc2cccc(Cl)c21 963391046 PAJCLMPNJGXNBO-XOBRGWDASA-N 363.885 3.640 0 1 FHAF CCOc1ccc2c(c1)CCN(Cc1ccc([C@@H](C)NC(C)=O)cc1)C2 1772638275 ZXLZZAKFCJVPJJ-MRXNPFEDSA-N 352.478 3.841 0 1 FHAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]34CCC[C@@H]3[C@@H]3NCCC[C@@H]3C[C@]14[C@@H](O)C2 2356655248 CLTUMOCOASTNOP-PFDJCYPPSA-N 359.554 3.627 0 1 FHAF COC[C@@H](OC(C)=O)[C@H]1OCc2ccccc2[C@@H]1/C=C/c1ccccc1 36381878 SSAJXUFJYJHGDQ-YCWBKLQFSA-N 352.430 3.961 0 3 FHAF Cc1cccc(C(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)c1 74377935 NPVJUHMKSVXSRB-CJNGLKHVSA-N 358.800 3.663 0 3 FHAF CC(C)n1c(=O)c2ccccc2n1Cc1cn(-c2ccc(Cl)cc2)nn1 95603018 OAZWVUMJNOUKRO-UHFFFAOYSA-N 367.840 3.666 0 3 FHAF COc1cccc(-c2nccc(NCc3ccc(OC)cc3OC)n2)c1 4266841 RULIAUGJMVIUMH-UHFFFAOYSA-N 351.406 3.782 0 1 FHAF NCCc1c[nH]c2ccc(CCCc3nc(Cc4ccccc4)no3)cc12 13827461 JTBDYCCVUAQYMO-UHFFFAOYSA-N 360.461 3.818 0 1 FHAF COc1cc2c(cc1OC)Sc1ccccc1[C@H](N1CCN(C)CC1)C2 22460896 DAPHHFZZMZLBQM-QGZVFWFLSA-N 370.518 3.700 0 1 FHAF O=C(C1CCCC1)N1CCCC[C@@H]1c1nnn(-c2cccc(Cl)c2)n1 34999327 JZKLCRLGOXZBRB-MRXNPFEDSA-N 359.861 3.560 0 1 FHAF COc1nc(Nc2ccc(Cl)c(OCC=C(C)C)c2)nc(OC)n1 35010600 SVWLGVSAICXLEE-UHFFFAOYSA-N 350.806 3.631 0 1 FHAF Nc1ccc2c3c(cccc13)C(=O)N(c1cccc(Br)c1)C2=O 35996453 HBYABNYRGBTRJO-UHFFFAOYSA-N 367.202 3.985 0 1 FHAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 62224623 HCHHFDNCRHXZPI-KRWDZBQOSA-N 361.413 3.575 0 1 FHAF COc1cc(NC(=O)[C@@H]2CCCO2)ccc1NC(=O)c1ccccc1Cl 66076608 IMVLLDUKTUXHTD-INIZCTEOSA-N 374.824 3.718 0 1 FHAF C[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cn1 66105135 VYJBUWRWDPVJKR-QMMMGPOBSA-N 374.811 3.576 0 1 FHAF COC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1 71330977 KBEAISSUPZOCOV-UHFFFAOYSA-N 355.350 3.618 0 1 FHAF CN1Cc2ccc(NC(=O)N[C@@H]3CCc4cc(F)ccc43)cc2NC1=O 145754495 NIVBWFVCDVAXSV-MRXNPFEDSA-N 354.385 3.612 0 1 FHAF O=C(CCNC(=O)c1cccc(Cl)c1)N[C@@H]1CCCc2ccccc21 169304540 LXHPHNFAUGOFHE-GOSISDBHSA-N 356.853 3.654 0 1 FHAF C[C@H](NC[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@]3(C)[C@H](O)[C@@H]21)c1ccccc1 504568112 YSIINEYFHDVBCW-WDSWQIECSA-N 369.505 3.622 0 1 FHAF biogenic CC(C)Oc1cc2nc([C@@H](O)C3CCOCC3)[nH]c2cc1Br 586913442 LAZWWADACQCINL-HNNXBMFYSA-N 369.259 3.573 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3cc(OC)c(Cl)cc3[nH]2)c1 586922597 QFZHGBDUHGGSEF-UHFFFAOYSA-N 364.854 3.609 0 1 FHAF CCCC(Br)(CCC)c1nc2cc(C(=O)OC)ncc2[nH]1 586971180 OBEUTXRXCUMPIZ-UHFFFAOYSA-N 354.248 3.935 0 1 FHAF CC(C)Oc1cc2nc(-c3csc(O)n3)[nH]c2cc1Br 587017101 HVTPBJRWFRONOI-UHFFFAOYSA-N 354.229 3.942 0 1 FHAF CCOc1ccccc1[C@@](N)(c1nc2c(C)nc(C)cc2[nH]1)C(F)(F)F 587091193 BYINMJLOAXUUBN-QGZVFWFLSA-N 364.371 3.738 0 1 FHAF O=C1c2ccc(O)cc2OC2(C[C@H]3C=C[C@@H](C2)O3)[C@@H]1c1ccc(F)cc1 587360738 WETCAZJLIWYMJH-URVLICCLSA-N 352.361 3.746 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCN(c3ccccc3)C(=O)C1)CC2=O 587474292 DUGGBIGTXUPKID-JOCHJYFZSA-N 365.429 3.876 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c3c(c1)OCO3)CC2=O 587486631 MANANFQUWVPQHT-MRXNPFEDSA-N 356.374 3.789 0 1 FHAF N=c1[nH]c2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc(O)c2o1 587509817 JKHGSPHEYADOSK-KRWDZBQOSA-N 350.374 3.531 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccnc2Cl)N1 587701269 ATYYRNKTKYXYLL-JMCQJSRRSA-N 356.626 3.655 0 1 FHAF CCN(CC)C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587742148 QFQUSCVENSDFGN-GTNSWQLSSA-N 371.294 3.596 0 1 FHAF Cc1cc(C)n(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587764854 RNHJGJQOWKFAFE-QGHHPUGFSA-N 366.278 3.851 0 1 FHAF CCOC(=O)c1ccc2[nH]c(-c3ccc([C@@H]4C[C@@H]4C(=O)OC)cc3)nc2c1 587785945 PVYKMFBIVRXQSN-HOTGVXAUSA-N 364.401 3.683 0 1 FHAF Cc1[nH]c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)O 587794398 UQPHRIWGHNHFAJ-ZIDLFYJRSA-N 367.218 3.547 0 1 FHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Br)ncc3[nH]2)cc1 587935260 HKQXPHMTCHKFMX-PSLIRLAXSA-N 362.227 3.566 0 1 FHAF O=C(O)c1cccc2c1CCN[C@H]2c1ccc(C(F)(F)C(F)(F)F)nc1 963132514 QPMUMKDYDLWXHW-AWEZNQCLSA-N 372.293 3.669 0 1 FHAF Cc1cnc([C@H](CC(=O)O)c2cccc(-c3ccccc3C(N)=O)c2)s1 1772602313 WDLUKBKVGLMITO-QGZVFWFLSA-N 366.442 3.824 0 1 FHAF C[C@@H](O)CO[C@H](C)Cn1cc(-c2cccc(C(N)=S)c2)c2ccccc21 1857614961 ABAQNXPLLZCQAL-HUUCEWRRSA-N 368.502 3.728 0 1 FHAF CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N[C@H]1CC[C@H](NCCC(=O)O)CC1 1911577133 FUUWBKZJOJEMKI-KZRIWZHQSA-N 356.510 3.834 0 1 FHAF Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N(C)C)cc1 8582771 UHOVZIPGALZOJK-UHFFFAOYSA-N 363.461 3.829 0 3 FHAF COC(=O)[C@]1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1=O)CCC3 1646117 YKSOYPDYFJXGDF-XMMPIXPASA-N 360.453 3.805 0 3 FHAF CC=CC=Cc1c(CC=C(C)C)cc2c(c1CO)OC(C)(C)[C@H](O)C2=O 2356326694 ZNFQXDMVJMBYTQ-OAQYLSRUSA-N 356.462 3.992 0 1 FHAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 2356345350 ODXIHYQVXXYLQK-XFKSJGNHSA-N 374.518 3.626 0 1 FHAF Cc1ccc(Cn2c3ccccc3c3nnc(NC[C@@H]4CCCO4)nc32)cc1 6781699 BIXSSSAWJJPSIL-KRWDZBQOSA-N 373.460 3.927 0 1 FHAF CCOc1ccccc1O[C@@H](CCN1CCN(C)CC1)c1ccccc1 22459448 MUZUHEGUCNOBRX-FQEVSTJZSA-N 354.494 3.843 0 1 FHAF COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 101217562 VQKLFYFQQYOFJU-OUJGAGHGSA-N 367.537 3.808 0 1 FHAF CCOc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1F 103260548 GPSXNRCLSLTAAH-SFHVURJKSA-N 353.397 3.827 0 1 FHAF COc1ccc(OC)c(-c2nc(CN(C)[C@@H](C)c3ccncn3)c(C)o2)c1 55042271 CRVAAOXUTHLZLB-ZDUSSCGKSA-N 368.437 3.650 0 3 FHAF COc1cccc(-c2c3c(c(O)c4cc5c(cc24)OCO5)COC3=O)c1 103221116 UBNNDZSABULTFU-UHFFFAOYSA-N 350.326 3.620 0 1 FHAF COc1c(C)cc2c(c1O)C(=O)O[C@@H]2c1c(O)ccc2c1OC(C)(C)C=C2 2356827184 HOBJUJAJXSZOAT-IBGZPJMESA-N 368.385 3.859 0 1 FHAF COc1ccc(-c2ccc(C(=O)NCCN(C)C)c3occc23)c(C)c1 61926434 IEESRELBSLNBJI-UHFFFAOYSA-N 352.434 3.708 0 3 FHAF CNC(=O)C[S@](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 66077350 HYCJMYSQXYRGGS-JOCHJYFZSA-N 356.274 3.578 0 1 FHAF COc1cc(OC)c([C@H]2COc3cc4occc4cc3C2=O)cc1OC 14613434 JEBAYRCLJJUGFS-CQSZACIVSA-N 354.358 3.818 0 1 FHAF biogenic CCOC(=O)C[C@@H](C)Nc1cc(-c2ccccc2C(F)(F)F)ncn1 82160832 QFZDZFKMUIBLEH-LLVKDONJSA-N 353.344 3.916 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C\C[C@@H]21 40465042 ZTMJVNGXHMSKDT-IFJJZZHHSA-N 350.499 3.913 0 1 FHAF c1nc(-c2n[nH]c3ccc(-c4ccsc4)cc23)cc(N2CCOCC2)n1 225559787 SLYUZOLCGREEFV-UHFFFAOYSA-N 363.446 3.585 0 1 FHAF C/C=C/c1c(C)cccc1C(=O)N[C@@]1(C(=O)O)Cc2ccc(F)cc2C1 146782269 RCKNFKFXUYXQGD-GUWAZMKPSA-N 353.393 3.519 0 1 FHAF COc1cccc(-c2c(C(=O)N3CCCC[C@H]3CO)cc3ccccn23)c1 95557485 CORFFCKGBFFQAQ-SFHVURJKSA-N 364.445 3.602 0 1 FHAF CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccc(OCC)c(OCC)c1 617966457 KNSOWTKKMJAMKF-UYTDBDHRSA-N 364.467 3.680 0 1 FHAF Cc1cc(F)c2[nH]c3c(c2c1)CN(C(=O)c1cc(C(F)(F)F)n[nH]1)CC3 2382224891 CYILWGKYOXDMND-UHFFFAOYSA-N 366.318 3.556 0 1 FHAF COc1cccc(-c2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)on2)c1 587438653 POQZRDXZAHWAIC-QVKFZJNVSA-N 363.369 3.848 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3oc(=N)[nH]c13)CC2=O 587468883 FAKNBNSRTSAQKJ-FQEVSTJZSA-N 352.390 3.779 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)c(O)c2)N1 587740592 BGZJZKUQWXWVBO-HUTHGQBESA-N 365.246 3.674 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCc4cc(NC(C)=O)ccc41)[C@@H](C2)C3=O 587433705 UWHYEVYSJHQOFZ-AVRDEDQJSA-N 363.413 3.633 0 1 FHAF COc1cc(/C=C/c2nc3nc(Cl)c[nH]c-3n2)ccc1Br 586977076 NBSWTVQLDJWNQN-HWKANZROSA-N 365.618 3.899 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c[nH]nc1C 587859430 JFNVRQYBHZYOLY-UHFFFAOYSA-N 365.220 3.976 0 1 FHAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cnccc3[nH]2)c(O)c1 587239982 CXXSWOUTBXXSBN-UHFFFAOYSA-N 358.401 3.820 0 1 FHAF COc1cc2c3c(c1)OC(c1ccc(N)cc1)(c1ccc(N)cc1)[C@@H](C2)C3=O 587433997 YWTVGEKPFSYNMU-IBGZPJMESA-N 372.424 3.551 0 1 FHAF O=C1CC2(CCN(Cc3ccncc3)CC2)Oc2c1ccc1c2CCCC1 587513202 IQUNOACLCNMONZ-UHFFFAOYSA-N 362.473 3.960 0 1 FHAF CCC[C@]1([C@@H](C)C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587804681 DZHQPTHMJKNLTQ-VGTOOOLASA-N 372.278 3.927 0 1 FHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(Br)nc2[nH]1 587174198 GEFNRGRJGNHVIZ-LLVKDONJSA-N 374.217 3.583 0 1 FHAF COc1cc(/C=C\c2nc3cncc(OC)c3[nH]2)ccc1Br 586976390 JAGSCPXWTKHSRU-XQRVVYSFSA-N 360.211 3.908 0 1 FHAF COc1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1O 587785659 DYPYVSOEYBCQCE-UHFFFAOYSA-N 355.138 3.985 0 1 FHAF COc1c(F)ccc(-c2nc3cc(Br)cc(F)c3[nH]2)c1N 587132794 HTQAPZBFQMMVIC-UHFFFAOYSA-N 354.154 3.861 0 1 FHAF COc1ccc2c(c1OC)[C@]1(CCc3ccc4c(c31)CCO4)N(C)[C@@H](C)C2 962619583 DSKUOGYLLPIPNL-LFVRLGFBSA-N 365.473 3.705 0 1 FHAF COc1cc2c(cc1OC)[C@@]1(CCc3cccc(OC)c31)N(C)[C@H](C)C2 962622173 JKIHASYWFDOXTR-JLCFBVMHSA-N 353.462 3.779 0 1 FHAF COC(=O)C[C@]1(c2ccc(OC)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963108715 XZIPRMHBTHPUHX-AVRDEDQJSA-N 369.436 3.662 0 1 FHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc(OC(F)(F)F)c(F)c2)N1 962906675 YUNNOZPCEOBFEY-DZGCQCFKSA-N 373.277 3.552 0 1 FHAF COc1ccc2cc(C(=O)C[C@@]3(C)c4c(cnn4C)CCN3C)ccc2c1 963955608 QTIWIVBIDPAUBG-QFIPXVFZSA-N 363.461 3.558 0 1 FHAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc(C(F)(F)F)ccc12 1772644854 BZCGCJHCEHUGHY-UHFFFAOYSA-N 352.356 3.829 0 1 FHAF COC[C@@H]1CCN(C(=O)c2ccc3oc(Cc4ccccc4)nc3c2)C1 12301388 JVNACMIMZGJAIH-MRXNPFEDSA-N 350.418 3.527 0 3 FHAF CC(C)C[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204407322 JMOUNGWQZPPXKP-MRXNPFEDSA-N 353.388 3.659 0 1 FHAF CNCc1ccc(NS(=O)(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 1857570392 RYDUJLOIUQVIRQ-MDZDMXLPSA-N 370.396 3.837 0 1 FHAF CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3sccc3C)N2C1=O 1857766227 ZJCXRZRYBPCBNM-DOTOQJQBSA-N 365.458 3.836 0 1 FHAF Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)ccn1 586501 HZPZUNBCOVBWIQ-UHFFFAOYSA-N 356.328 3.683 0 1 FHAF COc1ccccc1N1CCN(CCCCC(=O)c2ccc(O)cc2)CC1 13493243 PEWCXBPTRJHDGN-UHFFFAOYSA-N 368.477 3.576 0 1 FHAF C/C=C\c1ccc(O[C@H](C)[C@@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 14647929 DIEIEAKVQCTJFH-QMJTTXMUSA-N 374.433 3.952 0 1 FHAF endogenous,in-man CN1CCN(CCCNc2c3c(nc4ccccc24)CCCCC3)CC1 22930430 CGXWJDRFKHUDIK-UHFFFAOYSA-N 352.526 3.553 0 1 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@H]1C[C@H](C)C(=O)C3 26716003 JKRWGJJCQQNKLV-DPXGSNEPSA-N 353.506 3.979 0 1 FHAF CCN(CC)C(=O)c1c(NC(=O)c2cncs2)sc2c1CCCC2 28707870 YQVBEKRFNJZQJP-UHFFFAOYSA-N 363.508 3.818 0 1 FHAF CCCCS(=O)(=O)Nc1cccc(OCc2nc3ccccc3n2C)c1 40639868 WITUQEVVEXWWKT-UHFFFAOYSA-N 373.478 3.694 0 1 FHAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1 68151795 XIWFPNSSTOCGHV-GOSISDBHSA-N 359.473 3.926 0 1 FHAF CCN(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O 95560851 HYYHWRBHSOQRNP-UHFFFAOYSA-N 359.466 3.566 0 1 FHAF O=C(Nc1ccnc(NC(=O)[C@H]2C[C@@H]2F)c1)c1c(Cl)cccc1Cl 96928698 RBNYBLHXBHWSCZ-CABZTGNLSA-N 368.195 3.937 0 1 FHAF C[C@@H](Cc1ccc(Cl)cc1)N1C(=O)CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1=O 101677973 XRMFYWPUUCWBAI-DPAVQSFQSA-N 374.868 3.641 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(SCC)nc(O)c2[C@H]1c1cccnc1 104056783 VMKKIIQOAUJNEW-IGWPVBGESA-N 372.450 3.733 0 1 FHAF Cc1nc2cc(-c3ccccc3)nn2c(C)c1[C@H](OC(C)(C)C)C(=O)O 113874071 HQQFAUVXPCIXSL-SFHVURJKSA-N 353.422 3.954 0 1 FHAF Cc1cncn1CCCn1c(=S)[nH]c2sc3c(c2c1=O)CCCCC3 138325444 NLQKTJPRILIYSB-UHFFFAOYSA-N 374.535 3.985 0 1 FHAF O=C(O)c1ccnc(-n2nccc2OCc2ccc(C(F)(F)F)cc2)c1 146631291 SPGCFZXNJYGZNU-UHFFFAOYSA-N 363.295 3.563 0 1 FHAF Cc1noc(-c2c(NC(=O)C3=C(C(=O)O)CCC3)sc(C)c2C2CC2)n1 146992616 WHGPXCCUBCVBSO-UHFFFAOYSA-N 373.434 3.796 0 1 FHAF COc1ccc2c(c1)CCC1=C2[C@@H]2C[C@]3(CC[C@H]2O)[C@@H](OC(C)=O)CC[C@@H]13 169324928 XHUISAWHXNRHIF-YBNCXLCVSA-N 368.473 3.898 0 1 FHAF C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC 211396027 VAMJZLUOKJRHOW-DJKCVZKDSA-N 366.461 3.737 0 1 FHAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)s1 253687843 AZGJPBSOUXXLFR-OAYKTPRCSA-N 368.296 3.550 0 1 FHAF COc1cc(C(=O)c2ccn(Cc3ccccc3)c2)cc(OC)c1OC 299825290 FMQDRARKOKSTNM-UHFFFAOYSA-N 351.402 3.793 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586917173 RERODFGZNHYXSE-DCPHZVHLSA-N 364.405 3.503 0 1 FHAF COc1ccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C(F)(F)F)c1 587096843 CEENTKSQEJVNPX-UHFFFAOYSA-N 372.324 3.504 0 1 FHAF COC(=O)c1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cn1 587135348 XKNAIPVTZHTOMV-IHWYPQMZSA-N 369.249 3.610 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(C)cnc4[nH]3)c2)c1 587236470 WPHRVDQIQAHPRF-UHFFFAOYSA-N 356.429 3.884 0 1 FHAF CCN(C)C(=O)Oc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587388130 WQOHTKSMBWEUCE-OAQYLSRUSA-N 368.433 3.908 0 1 FHAF COc1ccccc1N1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587396875 WUCWYADHEBDFKT-UHFFFAOYSA-N 352.434 3.590 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OCC)ccn1)CC2=O 587487759 NSHLFMCESGDUND-GOSISDBHSA-N 355.390 3.623 0 1 FHAF Cc1nn(C)cc1[C@@]1(/C=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587515655 NMVVSEJQBRDSOR-SSSWZJSRSA-N 365.477 3.543 0 1 FHAF CCOC(=O)c1scnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536174 SXYNSDHPZWJKOE-OAHLLOKOSA-N 357.431 3.905 0 1 FHAF O=C(COc1cccc2ccccc12)n1ncc2ccc(Cl)cc2c1=O 587651645 BYZSJIUQJNJEQB-UHFFFAOYSA-N 364.788 3.922 0 1 FHAF COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587767244 ADKVPPHUUJEVBK-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3CC[C@H]2N3C)N1 587773544 ZNWHOKSTTKUNHU-OFPHWGNKSA-N 353.279 3.574 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn3ccnc3c2)N1 587776624 YJBKTIHEADYJPW-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF Oc1ccc(OCc2ccccc2)n1-c1n[nH]c(-c2ccccc2F)n1 587944539 BRQZATNFGWECGR-UHFFFAOYSA-N 350.353 3.686 0 1 FHAF NC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O 653692093 CZBUHFFVQRWPLQ-UHFFFAOYSA-N 351.383 3.557 0 1 FHAF Nc1c(-c2nc3ccccc3s2)c(O)cn1-c1ccc(C(=O)O)cc1 958064279 ANFGHZVZABFTIN-UHFFFAOYSA-N 351.387 3.740 0 1 FHAF Cc1ccccc1NC(=O)c1c(NC(=O)C(=O)O)sc2c1CCCCC2 1772624148 UIVXWYKGSTZLJE-UHFFFAOYSA-N 372.446 3.601 0 1 FHAF CC1(C)CCC[C@@]1(C)c1ccc(C(=O)OCC[C@](C)(O)CC(=O)O)cc1 2356723640 PMMJBYVOCQEGKR-SFTDATJTSA-N 362.466 3.927 0 1 FHAF COc1ccc(C[C]2c3cc(OC)c(OC)cc3C=CN2C)cc1OC 2356838339 HQBNEUNQOUUFSM-UHFFFAOYSA-N 354.426 3.760 0 1 FHAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1ccccc1)CCCC3 13837565 YCDSRUWGEDPILI-GOSISDBHSA-N 364.445 3.904 0 1 FHAF CCN(CC)CCCn1c(Cn2nnc3ccccc32)nc2ccccc21 26189206 RPFDRMGQUCUZCI-UHFFFAOYSA-N 362.481 3.561 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@H]3CC[C@@H]12 26395855 YJVVSONFMRLWTH-PLIQBZMSSA-N 359.510 3.926 0 1 FHAF CCOC1(OCC)[C@@H]2c3c(OC)cccc3[C@@H]([n+]3ccccc32)C1(C)C 27517900 VFHUXKMKHQJWCZ-VQTJNVASSA-N 354.470 3.827 0 1 FHAF COc1cc(C)c2c(c1)[C@@H]1CN(C(=O)OCc3ccccc3)CC[C@@H]1N2 28572605 PFNMCSHGKNEKMO-OALUTQOASA-N 352.434 3.924 0 1 FHAF CC(C)Oc1ccc(C(=O)N(CCc2ccccc2Cl)C2CNC2)cc1 28823648 OLHLUYFSUUHSSV-UHFFFAOYSA-N 372.896 3.784 0 1 FHAF CC(C)c1ccc(O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1 28950525 HISBJLBMPIBCDT-UHFFFAOYSA-N 363.421 3.892 0 1 FHAF COCCn1cc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2 36177109 YSZGTYAHCXJWGC-AQCRLBJHSA-N 352.478 3.805 0 1 FHAF COc1ccc2c(c1)C[C@H](c1nc3ccc(-c4ccnc(N)n4)cc3o1)CO2 40861944 PZWKXWPMVNKURA-AWEZNQCLSA-N 374.400 3.594 0 1 FHAF COc1cc(C(=O)c2ccc(-c3nccs3)cc2N)cc(OC)c1OC 64553588 JQYMCOVMWUEDOK-UHFFFAOYSA-N 370.430 3.649 0 1 FHAF C[C@@H](c1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1)N(C)C 167000949 XEDLCCZVCWCDTK-NSHDSACASA-N 350.401 3.777 0 1 FHAF O=C(c1cccc(Cl)c1)N1CCc2oc(-c3ccc(F)cn3)nc2C1 219627899 NZJPQHNBSVEQFL-UHFFFAOYSA-N 357.772 3.728 0 1 FHAF O=C(c1ccccc1)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12 473087561 KQGMUUYYFGZQDW-UHFFFAOYSA-N 371.444 3.582 0 1 FHAF C[C@@H](O)Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586890475 JUJIDEFQPYXFKV-SNVBAGLBSA-N 363.339 3.757 0 1 FHAF COc1cc(/C=C/c2nc3ccnc(OC)c3[nH]2)ccc1Br 586976414 JSJDGEPUABVEDR-GQCTYLIASA-N 360.211 3.908 0 1 FHAF COc1cc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2cc1C 587065036 KPJQVGPELBHRNO-UHFFFAOYSA-N 360.797 3.933 0 1 FHAF CN(C)C(=O)C[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104672 UNGWYMUFDBXCLN-CYBMUJFWSA-N 356.425 3.954 0 1 FHAF COC(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1OC 587138007 BLCIGOZYLACHIO-UHFFFAOYSA-N 364.323 3.561 0 1 FHAF Fc1cccc(Cn2nnc(-c3nc4cc(Cl)cnc4[nH]3)c2Cl)c1 587162569 XDGDZCRKWKSYBA-UHFFFAOYSA-N 363.183 3.711 0 1 FHAF Cc1cc2[nH]c(-c3cc(I)ccc3F)nc2c(C)n1 587182047 CJIRCENGINPTML-UHFFFAOYSA-N 367.165 3.985 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCC(=O)O)c3ccccc13)O2 587392564 ZNZVAYKLBVRCBC-IBGZPJMESA-N 364.401 3.713 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC[C@H]3CCCO3)cc1)O2 587407179 ANLKOGHMYNPIPK-OXQOHEQNSA-N 353.418 3.842 0 1 FHAF C[C@@]1(c2[nH]nc3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590717 AIHZIOKFFFSIBU-IIBYNOLFSA-N 373.368 3.541 0 1 FHAF C[C@@H]1CCc2c(C(=O)n3ncc4ccc(Cl)cc4c3=O)csc2C1 587654162 OYCDSJBSEIFQFD-SNVBAGLBSA-N 358.850 3.925 0 1 FHAF Cc1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cs1 587660815 HBCCJKYXZRVXMO-UHFFFAOYSA-N 365.389 3.656 0 1 FHAF C/C(=C/[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)NC1CC1 587740009 CAPLTFICFHMFFS-YFNTUCEMSA-N 353.279 3.993 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N(C)C)N1 587754388 JNBANRBZRINFMR-HWPZZCPQSA-N 364.262 3.673 0 1 FHAF CCOCCOCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 587777888 FJUSMDHLQXNRPT-UHFFFAOYSA-N 357.248 3.666 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(C)(C)C)(C(=O)O)N1 587828343 OTPFWQYTSROJFC-FVMDXXJSSA-N 358.251 3.839 0 1 FHAF Cc1sc(=N)[nH]c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587852828 NFSTZQWRRQAXDJ-NZFNHWASSA-N 370.291 3.563 0 1 FHAF CC(C)c1nn(C)c2c1[C@@](c1cc(F)cc(F)c1)(C(F)(F)F)NCC2 962917508 FHJLRDILTSRDOY-INIZCTEOSA-N 359.342 3.773 0 1 FHAF CC(C)c1ccc(N2CNC(=O)C23CCN(Cc2ccccc2)CC3)cc1 1857636463 LBRDCFFRLLAQTE-UHFFFAOYSA-N 363.505 3.739 0 1 FHAF O=C(O)CCCCC=CCC(=O)CCC=CC=C[C@@H](O)CCCC(=O)O 2356574886 RYMSXFPLTLWXCK-GOSISDBHSA-N 366.454 3.655 0 1 FHAF COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N(C)C 769324 JQSYGZFHFUYJQF-SJLPKXTDSA-N 358.825 3.529 0 1 FHAF CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)c1 772769 JAZYWZJANYIPBN-HKUYNNGSSA-N 372.852 3.919 0 1 FHAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 101142511 UTYYWKJUOSJCDE-OHHBCXFOSA-N 356.381 3.806 0 1 FHAF CSc1nc2cc(-n3nc(C)n(C(F)F)c3=O)c(Cl)cc2s1 103195214 ZTCXDRVSCJAIBD-UHFFFAOYSA-N 362.814 3.723 0 1 FHAF CCCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 40393010 GYIPCSNGCWSESD-MRXNPFEDSA-N 374.861 3.826 0 1 FHAF O=C(Nc1ccc(F)cc1)c1csc([C@@H](O)Cc2ccc(F)cc2)n1 82078887 UGMNGPHYDVPKBE-INIZCTEOSA-N 360.385 3.950 0 1 FHAF COc1cc(Oc2c(C3CCC3)ccc(-c3ccc(N)nn3)c2F)ncn1 224559745 DYQBJABPJPHBPO-UHFFFAOYSA-N 367.384 3.723 0 1 FHAF CC(=O)Nc1ccccc1NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 40860628 JMHGGCOFEWTIEP-VDESZNBCSA-N 350.374 3.582 0 1 FHAF Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)c(F)c1F 95566095 CQVSLOQKVIUCOO-UHFFFAOYSA-N 373.378 3.765 0 1 FHAF COC(=O)[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504482 KETDEDLVVILPLR-NRFANRHFSA-N 372.367 3.877 0 1 FHAF Cc1cnc(Cl)c2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc12 587116012 JPLIHCIHARMHGE-UHFFFAOYSA-N 350.131 3.992 0 1 FHAF CC(C)[C@]1(c2nccn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578647 ROPONMVMPFIHAY-UTKZUKDTSA-N 364.401 3.639 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2F)N1 587738618 PNKGYAJNYRHEJP-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1nc4ccc(OC)cc4s1)[C@@H](C2)C3=O 587453557 RATQSSVDWHSEDA-SGTLLEGYSA-N 353.399 3.802 0 1 FHAF C[C@@H]1C[C@]2(CC[C@@H]1O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349208 FLKGSOKALSZGCP-IQXLRZELSA-N 356.393 3.810 0 1 FHAF Nc1cc(Cl)ncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551696 IOXWQPSXAHVDOQ-VQIMIIECSA-N 368.776 3.726 0 1 FHAF O=Cc1cc(C=O)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604811 YVFNYIWWJRHAJA-SIKLNZKXSA-N 374.348 3.720 0 1 FHAF O=S(=O)(Cc1ccccc1-c1nc2cccc(O)c2[nH]1)c1ccccc1 586922080 QKXHCQIVARWJLZ-UHFFFAOYSA-N 364.426 3.909 0 1 FHAF COc1cc2nc(-c3cc4c(C=O)ccc(OC)c4o3)[nH]c2cc1OC 586903009 FGVXOZYVKPDDJC-UHFFFAOYSA-N 352.346 3.814 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C)(C)[C@H]2CC[C@@]1(C(=O)O)C2 587478250 ADWABHHVKJOBOG-IOSSYPJHSA-N 358.434 3.960 0 1 FHAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1C 587342952 QVHFNHYVRRYEGG-FPOVZHCZSA-N 366.392 3.848 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@@H](c2cc(O)ccc2Cl)N1)C(F)(F)F 962764292 LGESXPRJNMDIPD-GJZGRUSLSA-N 355.743 3.781 0 1 FHAF Cc1cc([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)o1 962966340 LYPGXEFSJFJTTG-DYVFJYSZSA-N 355.768 3.690 0 1 FHAF C[C@H]1CCC[C@@H](C)N1CCCNc1ccc2nnc(-c3ccccc3)n2n1 5051442 CNVCRXUSVMKSFR-CALCHBBNSA-N 364.497 3.856 0 1 FHAF O=c1cc(N2CCOCC2)oc2c(-c3ccc4ncccc4c3)cccc12 13677249 OAMOZWBXYNTFKA-UHFFFAOYSA-N 358.397 3.845 0 1 FHAF CC1(C)C(=O)c2ccc(Br)cc2[C@@H](Oc2ccccn2)[C@@H]1O 13832208 DHUUYGWWHDRGKB-ZBFHGGJFSA-N 362.223 3.548 0 1 FHAF COC(=O)Nc1ccn2cc(-c3cc(Cl)c(OC)cc3OC)nc2c1 1857609860 REZOKIQRVDEUNG-UHFFFAOYSA-N 361.785 3.850 0 1 FHAF COCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(F)cc1Cl 2483879 IVGAUJDSOXRBST-UHFFFAOYSA-N 354.809 3.808 0 1 FHAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 10450454 IYHVJDWMCZYYNH-NSHDSACASA-N 350.777 3.986 0 1 FHAF O[C@H](CCc1ccccc1)CN1CCC2(CCc3cc(F)ccc3O2)CC1 13472084 JPTJNKGXZCFAFQ-OAQYLSRUSA-N 369.480 3.979 0 1 FHAF O=C(Cc1ccccc1)N[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 13586752 HIRYXRSGVDWVGH-INIZCTEOSA-N 363.288 3.927 0 1 FHAF Nc1ccc2cccc(OCCCNC(=O)c3cccc(Cl)c3)c2n1 28360034 DXLYZIDAWUFPLS-UHFFFAOYSA-N 355.825 3.669 0 1 FHAF COc1cc(Br)c2c(c1)NC(=O)[C@@](C)(c1ccccc1)C2=O 28978296 PMNPFAQQRRXRTF-KRWDZBQOSA-N 360.207 3.550 0 1 FHAF COc1ccc2[nH]c3c(c2c1)[C@@H]1CCN(C1)[C@H]3C(=O)OCc1ccccc1 34804543 GJRDOKLPYMRLFW-QVKFZJNVSA-N 362.429 3.764 0 1 FHAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(c3cncnc3)C[C@H]2C1 36289100 GDPOVVOCCNPUOW-NFBKMPQASA-N 360.505 3.655 0 1 FHAF COc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1OC 40848155 UTWGFIMJBOZKAO-UHFFFAOYSA-N 364.810 3.954 0 1 FHAF in-vitro Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@H]1CCC[C@@H](C2)N1 96175217 LPKJVTVKWPHUTQ-KBXCAEBGSA-N 366.486 3.750 0 1 FHAF Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1S(=O)(=O)N(C)C 96283179 SVSSCJZXCABQGT-UHFFFAOYSA-N 367.858 3.543 0 1 FHAF CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])nc2)cc1 100090643 YNDIAUKFXKEXSV-CRYLGTRXSA-N 359.432 3.675 0 1 FHAF in-man CC(=O)NCCc1c(-c2cccc(O)c2)oc2ccc3c(c12)CCCO3 103234078 TWVZCZJRRSBSIR-UHFFFAOYSA-N 351.402 3.809 0 1 FHAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1OC 103964037 VPBPLIINLKZPEG-MRXNPFEDSA-N 372.450 3.689 0 1 FHAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2ccn3C(C)C)nc1 142244725 XIHNOPIBKSFWQM-HNNXBMFYSA-N 351.450 3.703 0 1 FHAF Cc1c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cnc(CO)c1F 144311081 GLUGUUHXZDUMOL-UHFFFAOYSA-N 351.381 3.585 0 1 FHAF CCC(CC)(NC(=O)c1cccc(-c2cccc(Cl)c2)n1)C(=O)N(C)C 207727078 SOYPYEJSHCHOCO-UHFFFAOYSA-N 373.884 3.779 0 1 FHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C)cc(F)c3[nH]2)c1 586931067 UFRBBPOBHJUOQI-UHFFFAOYSA-N 361.442 3.708 0 1 FHAF Cc1cc(Br)ccc1OCc1nc2ccc(CCO)cc2[nH]1 586980663 CNPGCPCPMINQON-UHFFFAOYSA-N 361.239 3.748 0 1 FHAF O=C(CCc1nc2c(Cl)c(Cl)cnc2[nH]1)Nc1cccc(F)c1 587163183 NYKTXEACQJXKEF-UHFFFAOYSA-N 353.184 3.975 0 1 FHAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(C(=N)N)cc2[nH]1)C1CCCC1 587227268 XUTULKCKRCLXKS-HNNXBMFYSA-N 357.458 3.603 0 1 FHAF CCc1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2c1 587259923 PBKJSFPTPCABPS-KRWDZBQOSA-N 366.465 3.832 0 1 FHAF CC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354536 UXFNHKFLCGZQIK-ICSRJNTNSA-N 358.365 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1CC[C@@H](C(=O)O)C1)O2 587409505 VZDFIEBNLOHZTG-RQVMVGKASA-N 365.429 3.939 0 1 FHAF C[C@@H]1CCCCN1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582527 LYJGOOYWGIXQBF-YOMUGFJLSA-N 367.445 3.987 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ncc[nH]1)c1ccco1 587586005 ANVAULZYIWOEGP-UWJYYQICSA-N 374.352 3.614 0 1 FHAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 587769412 GCRBCRZMGRSNJL-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF CCOC(=O)/C=C(\C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587795393 ISEJRBKTDLVJAQ-XTFCEBELSA-N 356.235 3.673 0 1 FHAF COC(=O)C(C)(C)C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587808609 OQGCCXRIBKGOEP-YMTOWFKASA-N 358.251 3.753 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1F 587870793 IXUNJLZTNJVOJV-UHFFFAOYSA-N 358.344 3.946 0 1 FHAF CO[C@H](C)COC1CCC(c2nc3c(Br)ccnc3[nH]2)CC1 587953098 ZKSWDMOLLDRFST-VOMCLLRMSA-N 368.275 3.798 0 1 FHAF COc1ccc2c(c1OC)[C@](C)(CC(=O)N1CCCC[C@H]1C)N(C)[C@H](C)C2 962628456 MIMKBSWCAHKQTN-MCFFVMPBSA-N 374.525 3.587 0 1 FHAF Cc1ccc(C)c([C@@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1 962645043 UEWWTDKLJUXMLW-PBHICJAKSA-N 365.351 3.890 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cn(-c3ccccc3)nn2)N1 962943848 CYYCEQALKBMGBZ-IVZQSRNASA-N 357.461 3.936 0 1 FHAF C[C@]1(c2ccc(CNC3CC3)c(Cl)c2)NCCc2c(C(=O)O)cccc21 963128988 CPALPEKWZDXSJK-OAQYLSRUSA-N 370.880 3.699 0 1 FHAF Cc1cc2c(cc1O)[C@H](c1ccccc1OC(C)(C)C)N[C@H](C(=O)O)C2 963493811 XGTYYNHDFQOMDD-LPHOPBHVSA-N 355.434 3.566 0 1 FHAF Cc1ccc(-n2nc(-c3ccco3)cc2C(=O)NCc2cccnc2)cc1 734593 CCPMHMQIGLZQJR-UHFFFAOYSA-N 358.401 3.766 0 3 FHAF Fc1ccc([C@@H]2C[C@@H]3CC[C@@H](N3)[C@H]2COc2ccc3c(c2)OCO3)cc1 13776977 HAHQKXHPHSTOFJ-DSLXNQLJSA-N 355.409 3.858 0 1 FHAF COC(=O)[C@@H]1[C@@H](OC2c3ccccc3-c3ccccc32)C[C@@H]2CC[C@H]1N2C 27213366 JMAILUWJFFEWNB-MGNXDGSBSA-N 363.457 3.797 0 1 FHAF O=C1[C@H]2CCCC[C@@H]2N=C(c2ccccc2O)N1CCc1cccc(F)c1 28522406 ZUJOBRTTXXDEKQ-HKUYNNGSSA-N 366.436 3.922 0 1 FHAF COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(Br)nc3)c1C2 28954411 XBSOJGGGKSOODO-UHFFFAOYSA-N 372.222 3.823 0 1 FHAF Cc1n[nH]c(C(F)(F)F)c1CCC(=O)NCc1ccc(F)cc1Cl 58480251 DLQCNYJIGJDQHB-UHFFFAOYSA-N 363.742 3.778 0 1 FHAF COc1ccc(/C=C/Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)cc1 71340457 WBMSYXAOBYXAOC-ONEGZZNKSA-N 353.349 3.561 0 1 FHAF Cn1nccc1-c1ccc(Cl)c(C(=O)NCC2(O)CCCCCC2)c1 72177958 BZNYFRDRHORFCT-UHFFFAOYSA-N 361.873 3.556 0 1 FHAF CN(c1ccc(-c2cccc(O)c2)cc1)S(=O)(=O)c1cccc(O)c1 96285191 XAUKOQDTIZJUFD-UHFFFAOYSA-N 355.415 3.590 0 1 FHAF OCCOc1ccc(C2(c3ccc(OCCO)cc3)C[C@@H]3CC[C@@H]2C3)cc1 101144260 OHBQNPOQGFFFTL-YLJYHZDGSA-N 368.473 3.535 0 1 FHAF CCNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C 169708375 OYFKXBMYUKZJTA-UHFFFAOYSA-N 371.466 3.675 0 1 FHAF CCCC[C@H]1C[C@@]2(C[C@@H](CCCC)N1)C(=O)NC(=O)N2c1ccccc1 253667892 VWIMYKRRLMTELI-LFUKPOHLSA-N 357.498 3.983 0 1 FHAF CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3ccccc3)ccc21)C(=O)O 299835239 WMYNSUOIPBOTFG-IBGZPJMESA-N 364.445 3.924 0 1 FHAF COc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cn1 586914448 LTGMOHFMGJCSQO-UHFFFAOYSA-N 361.357 3.735 0 1 FHAF O=S(=O)(/C=C/c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1 586924146 JEXYPCQZNPOTAC-VOTSOKGWSA-N 354.218 3.709 0 1 FHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(Cl)c3[nH]2)cc1 586940790 GCUYUODEDFBGCV-KTKRTIGZSA-N 361.854 3.615 0 1 FHAF Cc1ccc(NC(=O)CSCCc2nc3cc(Cl)cnc3[nH]2)cc1 586970000 FQZZJOJXOUMZMW-UHFFFAOYSA-N 360.870 3.834 0 1 FHAF O=C(O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979084 GGQCKDQADHFRLT-UHFFFAOYSA-N 352.575 3.739 0 1 FHAF CCOC(=O)[C@@H]1[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]21 586990855 GXRHDHWMJRFNLH-JBBXEZCESA-N 371.392 3.601 0 1 FHAF Clc1ccc(C2(c3nc4ccc(-n5cnnn5)cc4[nH]3)CCC2)cc1 587073919 NSWLDXCTFIVCHN-UHFFFAOYSA-N 350.813 3.662 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 587232079 SNZDGOJIMMOXQR-CHWSQXEVSA-N 369.387 3.618 0 1 FHAF CN(C)S(=O)(=O)c1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1 587279284 QOQPSFGZKYQSKS-UHFFFAOYSA-N 363.822 3.568 0 1 FHAF CC1(C)[C@H](C(=O)O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355454 UYWFIRUIRINTMI-WJPUGNRLSA-N 370.376 3.760 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2OC(=O)[C@H]1C 587378591 CVMGFUNEBBLOIM-GIGQVBGESA-N 357.793 3.646 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cccc(Cl)c1)[C@@H](C2)C3=O 587419861 MYNAUXYGJDMFDE-MGPUTAFESA-N 371.820 3.884 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Oc4ccc(OC)cc41)[C@@H](C2)C3=O 587455098 INHBHWZEYKGOIM-KSFYIVLOSA-N 366.413 3.908 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2F)N1 587733930 PIDCYMFHIJYTDZ-ABKXIKBNSA-N 353.210 3.920 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncn3ccccc23)N1 587771987 MRRMTOBNVKTCQX-QFYYESIMSA-N 360.230 3.860 0 1 FHAF CC(=O)OC[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587790132 FMXLTZRIPFTABN-QGHHPUGFSA-N 372.278 3.927 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](C(=O)O)CC2)N1 587827435 OSBHHFLVMVQBSC-CZIZLABSSA-N 370.262 3.983 0 1 FHAF Cc1[nH]c(=N)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587853356 QFXJDSLXZVCONU-NZFNHWASSA-N 370.291 3.563 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2cccnc2)no1 587871448 HOXCHQSAPHFCGC-UHFFFAOYSA-N 351.341 3.522 0 1 FHAF Cc1ccc([C@@]2(c3ccccn3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963039588 YOQQYCOAIZIVPG-BXKMTCNYSA-N 369.468 3.735 0 1 FHAF Cc1nn(C)c([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c1Br 963118532 ZRAWCZFDJAAHRT-CZUORRHYSA-N 364.262 3.740 0 1 FHAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(C[C@@H]3C=CC[C@@H]32)N1 963173476 LMDHRWZCJRERAX-MWHPYXBMSA-N 357.759 3.749 0 1 FHAF COc1cc(COC(C)C)c(Br)c(Br)c1O 1772614256 ODWLMSCLKVQBIK-UHFFFAOYSA-N 354.038 3.851 0 1 FHAF Fc1ccc(Nc2nc3nonc3nc2Nc2ccccc2F)c(F)c1 1857541190 WPGUEKBOWLUBPZ-UHFFFAOYSA-N 358.283 3.917 0 1 FHAF CC(C)c1nc2c(N3CCNCC3)ccnc2n1Cc1ccc(Cl)cc1 1857760779 KZEQWEHAFLKFMH-UHFFFAOYSA-N 369.900 3.666 0 1 FHAF CC(=O)O[C@@H](CO)COC(=O)C=C(C)CCC=C(C)CCC=C(C)C 2356456348 AGTWDMOYYUBVGR-IBGZPJMESA-N 352.471 3.873 0 1 FHAF COc1ccc(C=CC(=O)OC[C@@H]2CCCN3CCCC[C@@H]23)cc1OC 2356734469 QROSMYNPMUCJFW-ROUUACIJSA-N 359.466 3.525 0 1 FHAF O=C(NC1C[C@@H]2CCC[C@H](C1)N2C1CC1)NC12CC3CC(CC(C3)C1)C2 4882523 SDHNJUOQWNVJRO-PTFQPBJHSA-N 357.542 3.802 0 3 FHAF NC(=O)c1ccc2[nH]c(-c3ccc4nc(-c5ccccc5)[nH]c4c3)nc2c1 13652028 SDQCQNMFYYZZOV-UHFFFAOYSA-N 353.385 3.872 0 1 FHAF CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc3c(cc2N1C)C(C)(C)CCC3(C)C 13779358 TXTPQHMKEMQYBG-JXFKEZNVSA-N 372.553 3.530 0 1 FHAF CC1(C)C=C(n2ccccc2=O)c2cc(Br)ccc2[C@]1(C)O 13832200 FSJFMTKALOSOLM-SFHVURJKSA-N 360.251 3.747 0 1 FHAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(C)cc3N)c(C)nn12 28365356 HQCGEPIYJUYCFK-UHFFFAOYSA-N 352.486 3.925 0 1 FHAF COc1ccc(-n2ccc3c(sc4nccc(N(C)C)c43)c2=O)cc1 35283124 KBKYZXCTHJUCOC-UHFFFAOYSA-N 351.431 3.675 0 1 FHAF in-vitro C[C@]12C=CC(=O)C=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2C=C[C@]2(C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 40786192 KOFNPSQJLODDNK-BGEVSPHQSA-N 362.469 3.858 0 1 FHAF c1csc(-c2nc3c(NCC4CC4)ncnc3n2C[C@@H]2CCCO2)c1 82180846 MXWCIPGOXKRWGA-ZDUSSCGKSA-N 355.467 3.556 0 1 FHAF C[C@@]1(c2cccc(CC(=O)c3ccc(Cl)cn3)c2)CCSC(N)=N1 96174338 JHFFXOSBRSNCEL-SFHVURJKSA-N 359.882 3.827 0 1 FHAF CC(C)NC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 100092040 WPNICHAHANJMTC-CILZCVJLSA-N 361.489 3.715 0 1 FHAF O=C1CS[C@@H](c2cccc(Br)c2)N1c1ccc(O)cc1 169334411 QIDJFIWQWKRBPY-HNNXBMFYSA-N 350.237 3.933 0 1 FHAF O=C1c2ccccc2C[C@H]1CCN1CCN(c2ccc(Cl)cc2)CC1 169350273 CPFAMVVFLCOFSK-QGZVFWFLSA-N 354.881 3.907 0 1 FHAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCC[18F])[C@@H](c1ccc(Br)cc1)C2 169363387 LEEXJBMYTWENTA-ZXLLQDDSSA-N 369.265 3.528 0 1 FHAF C[C@@H](O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1 224995625 YJTZEIXDWJALDU-LJQANCHMSA-N 370.562 3.508 0 1 FHAF CO[C@@]12C[C@H]3CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]3(C)CC1=C(C)C(=O)O2 238780626 JRMPASZWXGEACK-HWIQRTGZSA-N 362.466 3.927 0 1 FHAF C[C@H](CSc1nnc(-c2ccncc2)s1)C(=O)NCc1ccccc1 473084525 RFLGQTPAHZBUNA-CYBMUJFWSA-N 370.503 3.645 0 1 FHAF CN1CCN(c2ccc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)CC1 586887351 HZSSTYJJKORWFH-WMZHIEFXSA-N 358.489 3.686 0 1 FHAF CC1=C(c2ccc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)NNC(=O)C1 586890804 PHBSZIBEPRSGGV-VVWDNSBVSA-N 362.477 3.786 0 1 FHAF Cc1nc2[nH]c(C34CCC(CO)(CC3)CC4)nc2cc1Br 586895485 JHIKFIIVSHTVOM-UHFFFAOYSA-N 350.260 3.613 0 1 FHAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 587076301 VJLKQQQSRFPAAL-UHFFFAOYSA-N 364.796 3.959 0 1 FHAF FC(F)(F)c1nn(Cc2nc3c(Cl)ccnc3[nH]2)c2c1CCCC2 587119239 AJKUYDBMNQKVJI-UHFFFAOYSA-N 355.751 3.754 0 1 FHAF COC(=O)[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351975 NQPORCUSWRALBN-NQIIRXRSSA-N 372.392 3.848 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1c(F)cccc1F)O2 587380697 BQGHWMHXLRHGJK-MRXNPFEDSA-N 355.344 3.952 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C)C(=O)O)(c1cccc(F)c1)O2 587386408 XWOVFBLFSCNOQH-MPBGBICISA-N 357.381 3.688 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(OC)cc1C)[C@@H](C2)C3=O 587440683 AJNHZGHWXPEALU-YCRPNKLZSA-N 354.402 3.684 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC(C)C)c1)[C@@H](C2)C3=O 587441465 UCPQYWHRUUVADH-BTYIYWSLSA-N 354.402 3.980 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ncccc12 587587366 GEYOMQSYQJXUEM-XLIONFOSSA-N 358.353 3.971 0 1 FHAF O=C(O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587607287 HKCSMMQFYUNWNY-XLIONFOSSA-N 362.337 3.793 0 1 FHAF CC(C)(C)OC(=O)CCn1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660022 MJCKENIBLUTROS-UHFFFAOYSA-N 368.408 3.934 0 1 FHAF CCn1ncc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587763745 LTPGFCMAJBICAT-BTDLBPIBSA-N 366.278 3.911 0 1 FHAF COc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)c(OC)c1C 587788368 ZYTDBYRAZRJCIQ-UHFFFAOYSA-N 366.190 3.852 0 1 FHAF Cc1[nH]c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)O 587788933 ARZBIFNUYUEXFF-NZFNHWASSA-N 367.218 3.547 0 1 FHAF COC(=O)[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587804216 DANURWOCYSXXNM-CZIZLABSSA-N 370.262 3.681 0 1 FHAF COC(=O)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587808127 NEPLHNXTPFGQLJ-QAGHZCBJSA-N 370.262 3.681 0 1 FHAF Cc1cc2cc(NC(=O)c3ncc[nH]c3=NCc3ccccc3)ccc2[nH]1 618012700 XXNAECSAJNEZDB-UHFFFAOYSA-N 357.417 3.553 0 1 FHAF CCOC(=O)[C@@H](Sc1ncnc2sc3c(c12)CCCCC3)C(C)=O 958066023 UQTLUGJGLSXUPP-AWEZNQCLSA-N 364.492 3.573 0 1 FHAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1cn2c(n1)SCC2 962711506 PNEWBMNPVWGHTO-PXAZEXFGSA-N 361.511 3.581 0 1 FHAF COc1ccc(CCNc2cc(-c3ccc(C)cc3)nc3ncnn23)cc1 1772630685 KXTNRCZRZOIIBN-UHFFFAOYSA-N 359.433 3.763 0 1 FHAF CC[C@H](C)[C@@H]1OC(=O)[C@@H]2C[C@@]3(CC=C(C)C)c4ccccc4N[C@@H]3N2C1=O 2356788014 WEQVDRJVVSLJPA-UXVDKCGKSA-N 368.477 3.605 0 1 FHAF Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNC[C@@H](C)O 12751155 WYBQMECHWPPUCC-CQSZACIVSA-N 357.404 3.596 0 3 FHAF CN(Cc1ccccc1)C(=O)C[C@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 74373450 XUQQHOFJVRDKHN-HXUWFJFHSA-N 371.868 3.729 0 3 FHAF CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)sc3ncnn23)cc1 3814778 BPMWHRGUWKLDJO-UHFFFAOYSA-N 355.444 3.528 0 1 FHAF C/C(=C\[C@@](C)(O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(C)C 27893351 AMBDIWVYPNQJPH-RCHKLYIZSA-N 368.558 3.995 0 1 FHAF O=c1[nH]c2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC2 28714160 PSLNEDDFOIXXGT-DKZVUGQWSA-N 352.478 3.980 0 1 FHAF in-vivo Fc1ccc2c(c1)nc1n2[C@H](CNCc2c[nH]c3ccccc23)COC1 2356304568 RAEKPMCXGAVSNV-OAHLLOKOSA-N 350.397 3.518 0 1 FHAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC(=O)[C@H]1[C@@H](C)C(=CC(=O)O)CC[C@H]12 2356737638 LXJSFBJEYLPDJS-YDRDBBOJSA-N 362.466 3.618 0 1 FHAF COc1cccc(-n2nc(C)c3c(=O)c4cc(Cl)ccc4n(O)c32)c1 63539471 ITSBKPPNNBPRHM-UHFFFAOYSA-N 355.781 3.548 0 1 FHAF OC(c1cccnc1)(c1cccnc1)[C@@H](c1ccccc1)N1CCCCC1 35900356 VFOJZCCGUHQKDE-JOCHJYFZSA-N 359.473 3.940 0 1 FHAF Cc1c(OCCN2CCOCC2)nn(-c2ccc(Cl)c(Cl)c2)c1C 38238497 DDCOJLWCGGUJJE-UHFFFAOYSA-N 370.280 3.507 0 1 FHAF O=c1cc(Cn2c(C3CCC3)nc3cnccc32)c2ccc(F)c(F)c2[nH]1 72110221 QUUHTHLMYJGRAQ-UHFFFAOYSA-N 366.371 3.867 0 1 FHAF COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(O)cc2C)c1=O 43075165 YUBKTSIORXXQNZ-AWEZNQCLSA-N 363.845 3.560 0 1 FHAF Cc1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccccc2F)o1 82175552 NFSAGNQOYGIXQO-ZDUSSCGKSA-N 354.385 3.837 0 1 FHAF O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CCCN1C1CCOCC1 147458294 UPHSNPFOQHMZEB-AWEZNQCLSA-N 365.886 3.532 0 1 FHAF C[C@@H]1OCc2sc(NC(=O)CC(C)(C)C)c(C(=O)N3CC(F)(F)C3)c21 95562517 MWFWGBCEXJTOQK-VIFPVBQESA-N 372.437 3.805 0 1 FHAF CCN1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)CC1(C)C 95552185 XESVBRHBHNFPBB-OAQYLSRUSA-N 350.506 3.956 0 1 FHAF CCC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95877982 YQBGGQMUOBBMST-OZOXKJRCSA-N 354.425 3.579 0 1 FHAF CC(=O)c1cc2c3c(c1C(C)=O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 45347658 QBCMSGDOKGQABG-KRWDZBQOSA-N 363.413 3.573 0 1 FHAF biogenic,in-vivo CCc1ccc(NC(=O)C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587433317 QJZFHLSYYJFGKQ-VGOFRKELSA-N 365.429 3.793 0 1 FHAF CCCn1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587763478 JMKOMDVYIOEBSV-QLJPJBMISA-N 352.251 3.818 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC(F)F)c1)[C@@H](C2)C3=O 587424018 WGIAZGPTLHBFGE-SGTLLEGYSA-N 362.328 3.794 0 1 FHAF Cc1c(F)ccc2nc(-c3cncc(I)c3)[nH]c12 587185092 PSLAVLCASCHYPA-UHFFFAOYSA-N 353.138 3.677 0 1 FHAF N[C@@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1cccc2ccccc12 587258347 HXBRUVFROAEUEA-KRWDZBQOSA-N 356.429 3.843 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4nccc(Cl)c14)[C@@H](C2)C3=O 587420883 JQPTUCSTYFCJFZ-JEOXALJRSA-N 354.793 3.888 0 1 FHAF COc1ncccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587772851 PDQJIUJLGVLOFY-VFZGTOFNSA-N 351.219 3.615 0 1 FHAF CO[C@H](C)COC1CCC(c2nc3ccc(Br)nc3[nH]2)CC1 587952316 OQMXZVUHWSZAMD-VOMCLLRMSA-N 368.275 3.798 0 1 FHAF Oc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587018979 SEFGMDPGKFQDBJ-UHFFFAOYSA-N 365.414 3.754 0 1 FHAF CCn1cnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555271 ZPTZSAQXZFZDJD-RDTXWAMCSA-N 370.792 3.965 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCSCC4)s1)[C@@H](C2)C3=O 587452032 QDOYOYUSKPHFLJ-DJJJIMSYSA-N 373.499 3.799 0 1 FHAF O=S(=O)(O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587028658 ZADNEYAFFGXUIB-UHFFFAOYSA-N 357.416 3.600 0 1 FHAF COc1ccc(C2(c3nc4c(O)nc(S)nc4[nH]3)CC3(CCC3)C2)cc1 587935467 LPBREIWMOZCGIG-UHFFFAOYSA-N 368.462 3.606 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cccc(Cl)c21 587458711 ASROCXVXOAYBQB-LJQANCHMSA-N 357.793 3.811 0 1 FHAF CCN(CC)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574629 YBJBFHUSVIKUBV-RXVVDRJESA-N 355.434 3.844 0 1 FHAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1F 587568356 HRULKRPJGCMUEL-APWZRJJASA-N 351.333 3.938 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(O)cc1O)[C@@H](C2)C3=O 587449886 JWONKCIWOZDUCQ-FDDCHVKYSA-N 374.392 3.798 0 1 FHAF COc1ccccc1[C@@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962919596 JPVFATYMAUSKFX-UWJYYQICSA-N 357.425 3.723 0 1 FHAF Cc1ccccc1[C@@]1(c2c[nH]c(C(N)=O)c2)NCCc2c1sc(C)c2C 963016442 KUVXFMOVVWWMOB-OAQYLSRUSA-N 365.502 3.538 0 1 FHAF Cc1cc2c(cc1F)[C@@](C)(c1ccc(N3CC(C)(C)C3=O)cc1)NCC2 962150394 ZGGLRLXLEWCNDC-JOCHJYFZSA-N 352.453 3.916 0 1 FHAF NC[C@]1(c2c(F)cccc2F)NCCc2cccc(-c3ccccc3)c21 962657534 BWTBOTPOGNUSIF-QFIPXVFZSA-N 350.412 3.980 0 1 FHAF CCC(CC)N1CCn2c(=O)n(-c3ccc(OC)cc3)c3nc(C)cc1c32 13652929 OFEBEMWDYPSPFH-UHFFFAOYSA-N 366.465 3.513 0 1 FHAF CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12CCNc1ccccc12 200379847 COOSTJOIJYTLGF-GOSISDBHSA-N 359.401 3.890 0 1 FHAF NC(=O)c1cccc(-c2cccc3c2COCC(=O)N3Cc2ccccc2)c1 205212972 OWIVWEWQYGBCNP-UHFFFAOYSA-N 372.424 3.516 0 3 FHAF c1ccc(N2CCN(CC[C@H]3CC[C@@H](Nc4ncccn4)CC3)CC2)cc1 103230682 OUUMPVSFLSOGJZ-MXVIHJGJSA-N 365.525 3.660 0 1 FHAF CCCN(C/C=C/c1ccc(O)c(OC)c1)[C@H]1CCc2[nH]c(=N)sc2C1 1857621312 KMNNNCPLXWQXDG-RGDDUWESSA-N 373.522 3.553 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@@H](C[C@H]1CCN1Cc1ccccc1)C2 1857628156 ADXPNWDIQYFMRM-QZTJIDSGSA-N 351.446 3.723 0 1 FHAF COc1c(Cl)ccc2oc3cc4c(c(OC)c3c(=O)c12)[C@@H]1C=CO[C@H]1O4 5998667 POXKBPUNCDMQMW-RLBGWGEZSA-N 372.760 3.963 0 1 FHAF biogenic CCCCC[C@H](C[C@H](O)CCc1ccc(OC)c(OC)c1)OC(C)=O 15256964 MVMCYBCRYZSVDR-QZTJIDSGSA-N 352.471 3.899 0 1 FHAF biogenic CC1=C(C(=O)OC(C)C)[C@@H](c2cccc3nonc23)C([N+](=O)[O-])=C(C)C1 26577356 DWHIMROOJFHDDM-OAHLLOKOSA-N 357.366 3.529 0 1 FHAF CN1C[C@H](CNC(=O)c2ccccc2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 34800962 MJSUQPQBXGYQHP-NYSBEXSLSA-N 359.473 3.558 0 1 FHAF CNCC[C@H](c1ccccc1)n1c(=O)n(-c2ccccc2)c2ccccc21 34986462 LYBIOYSWEAGQEQ-HXUWFJFHSA-N 357.457 3.991 0 1 FHAF CCc1c(Oc2cc(C)cc(C)c2)n(CC[C@@H]2C=CCC2)c(=O)[nH]c1=O 43060235 ZZCRQXHKYYPPLB-MRXNPFEDSA-N 354.450 3.864 0 1 FHAF COc1ccc(C(=O)C[C@@H](C(=O)Nc2ccccc2)N2CCCCC2)cc1 45386046 WAVWZXOIGCOVHU-FQEVSTJZSA-N 366.461 3.761 0 1 FHAF O=C(COc1ccc2c(c1)CCC2)N(Cc1cccs1)c1cc[nH]n1 146192825 CFRMVQKSZLVPEH-UHFFFAOYSA-N 353.447 3.572 0 1 FHAF O=C1CCCN1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1 147747601 JOCWCPHOGRCPDZ-GMAHTHKFSA-N 362.473 3.954 0 1 FHAF O=C(Nc1ccc(NC(=O)N2Cc3ccncc3C2)cc1)C1CCCC1 166912179 USYJZSAZOGKKSR-UHFFFAOYSA-N 350.422 3.758 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C4CC4)n3)C2)cc1 169709226 ZRHHGZUAFXLPEV-YWZLYKJASA-N 365.477 3.814 0 1 FHAF CN1[C@H]2C[C@H](O)[C@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 195273212 NRKFYDQWSIYFGJ-WTGUMLROSA-N 359.416 3.667 0 1 FHAF Oc1ccc(C2(c3nc4ccnc(Br)c4[nH]3)CCOCC2)cc1 586912063 CJGJBQMPUOAHTK-UHFFFAOYSA-N 374.238 3.523 0 1 FHAF COc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1F 586984150 NKBIDEIDHNYLIL-GFCCVEGCSA-N 364.218 3.716 0 1 FHAF Fc1cnc(Br)c2nc(-c3ccc(Br)o3)[nH]c12 587008248 RKHLAVFQSAAWIV-UHFFFAOYSA-N 360.968 3.882 0 1 FHAF Clc1ccccc1-c1nc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)co1 587060892 QEFQNFQOQMCXHP-UHFFFAOYSA-N 363.768 3.514 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cnc1F)O2 587386988 NNECSVQUSBQSOI-ZDUSSCGKSA-N 351.175 3.580 0 1 FHAF CCO[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H]1Oc1ccccc1 587403390 LQABIALSNDGDHP-NRSPTQNISA-N 353.418 3.538 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCN(C)C)cc1)CC2=O 587467667 GDUAIZYFXZJVDK-OAQYLSRUSA-N 369.461 3.992 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)[C@H]1C 587475203 KHSMGHMLYICNAS-FKIZINRSSA-N 361.438 3.688 0 1 FHAF CS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529917 CMEBEJAXKBKYNN-IBGZPJMESA-N 356.443 3.675 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccn(CC(F)F)n1 587558867 XUHKPEUXTJYVDG-APWZRJJASA-N 372.327 3.557 0 1 FHAF CN(C)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587573112 RPOZAXRUQSGZQH-NQIIRXRSSA-N 362.385 3.556 0 1 FHAF CCc1nccn1C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755006 NPIJORDTTBIDND-DIFFPNOSSA-N 366.278 3.797 0 1 FHAF CC(C)n1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587760397 PKDNMMBWOUBDDD-QLJPJBMISA-N 352.251 3.989 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C3CC3)[nH]n2)N1 587799072 WBILACLHORFWCE-ZKANADHPSA-N 350.235 3.812 0 1 FHAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587828966 PJANGSNKXMWGFT-ANRSDYALSA-N 368.202 3.591 0 1 FHAF COCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587831476 XGRJLHVJRDIXHW-FVMDXXJSSA-N 354.219 3.951 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC3(C2)OCCO3)N1 587837484 HPYCSIYWFXUFBZ-BZNIZROVSA-N 370.262 3.635 0 1 FHAF CSCCC[C@H](N)C(=O)OB(Cc1ccccc1)Cc1ccccc1 957558466 RDWLXJUPIMTVHA-IBGZPJMESA-N 355.312 3.555 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(Br)[nH]2)N1)C(F)(F)F 962761172 GVRZKXKOJZPOEH-DGCLKSJQSA-N 373.172 3.512 0 1 FHAF CC1(C)Cc2nc(O)c(C(=O)O)cc2[C@]2(C1)NCCc1cccc(Cl)c12 963391450 TXSGTRNNFGYSHS-FQEVSTJZSA-N 372.852 3.501 0 1 FHAF Cc1ccc(CN2CC[C@H](N3CCC[C@H](c4ccc(O)cc4)C3)C2=O)cc1 1772609034 IOZDYULPBYTTHU-UNMCSNQZSA-N 364.489 3.681 0 1 FHAF COc1cc(O)c(C(=O)CC(=O)c2ccc(OC(C)C)cc2)c(OC)c1 1857611019 LQRXBWMUGXVUCL-UHFFFAOYSA-N 358.390 3.652 0 1 FHAF CC[C@@H]1Cc2cc(OCC(C)C)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857652422 AQGIQEWWSOXMFF-CQSZACIVSA-N 371.433 3.764 0 1 FHAF CCCCC[C@H](O)C=CC=C(CCCCCCCC(=O)O)C[C@@H](O)CO 2356746425 VEDXQLNICSIAQV-VQTJNVASSA-N 370.530 3.969 0 1 FHAF CC(C)N(C(=O)N1CCC(c2nc(-c3ccncc3)no2)CC1)C(C)C 1359370 QDFNKVTTWPELCC-UHFFFAOYSA-N 357.458 3.550 0 3 FHAF CCSc1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@@H](O)CO 13139554 OYTJAOJMSXMYPC-QGZVFWFLSA-N 354.475 3.682 0 3 FHAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccccc3C(F)(F)F)C[C@H]12 205216386 KNQFQDFCZLVDOP-RDJZCZTQSA-N 374.362 3.889 0 3 FHAF CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2ccc(Cl)cc2N)C1 3296877 XGWYJHQRZQXMAE-DJJJIMSYSA-N 364.873 3.506 0 1 FHAF CCOc1ccc2nc3c(O)n(CCc4ccc(OC)cc4)cnc-3c2c1 101475307 GWPJNUWBGCVNLL-UHFFFAOYSA-N 363.417 3.892 0 1 FHAF COc1cccc([C@]2(CCN(C)C)Cc3cc(C)c(C)cc3C(=O)O2)c1 53229378 RYBZXBLSRSGKOS-QFIPXVFZSA-N 353.462 3.872 0 1 FHAF CC(C)N(C)c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1 29338861 YTGYWWJUXXQSSF-UHFFFAOYSA-N 372.371 3.812 0 1 FHAF O=C(c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1)N1CCOCC1 28562992 UQGWPOKQQKXNNN-UHFFFAOYSA-N 368.216 3.964 0 1 FHAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)c(Cl)c1 117724398 KVEVLQHABPKJPX-MRXNPFEDSA-N 351.233 3.907 0 1 FHAF CCCCNC[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 29557819 GRSLVSKGQYDPLW-QGZVFWFLSA-N 367.445 3.589 0 1 FHAF CC1(C)N=C(N)N=C(N)N1c1ccc(CSc2ccccc2)c(Cl)c1 29216331 MCUOQEQDMKEQTF-UHFFFAOYSA-N 373.913 3.818 0 1 FHAF COc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)n1 33504933 HDFAANFHMOANOW-CQSZACIVSA-N 370.261 3.879 0 1 FHAF COc1cn[nH]c1-c1cc(C(=O)N2CC(c3ccc(C#N)cc3)C2)ccc1C 219060572 LNYJIGYLUSDGPA-UHFFFAOYSA-N 372.428 3.505 0 1 FHAF Cc1ccc(S(=O)(=O)Nc2ccc(N)c(-c3ccccc3O)c2)cc1 35000927 ZYYOQSXLANGODL-UHFFFAOYSA-N 354.431 3.751 0 1 FHAF Nc1cccc(Nc2ncnc3c2ncn3Cc2cccc(Cl)c2)c1 40874472 SQRWOLPXPMUQHR-UHFFFAOYSA-N 350.813 3.854 0 1 FHAF CCOC(=O)c1cc(-c2ccc([C@@H](O)c3cccc(OC)c3)cc2)on1 45245615 IDVDZVIBVRPZOO-LJQANCHMSA-N 353.374 3.609 0 1 FHAF Clc1ccc2c(c1)N=C(NCCN1CCCCC1)c1cccnc1O2 84619440 JQWKOVNMSGDRRQ-UHFFFAOYSA-N 356.857 3.995 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3cccc(C(F)(F)F)n3)C2)cc1 149961634 DDIWUVNOKPEAFN-LBPRGKRZSA-N 363.383 3.901 0 1 FHAF CCCOc1cc(N2CC(c3ccc(C[C@H](C)NC(C)=O)cc3)C2)ccn1 149630267 XXKKANRLJKGXDQ-INIZCTEOSA-N 367.493 3.541 0 1 FHAF Fc1ccccc1NCn1nc(-c2ccc3c(c2)OCCO3)oc1=S 96934982 LCTFEDLZDVAJND-UHFFFAOYSA-N 359.382 3.852 0 1 FHAF O=C(NC1CCCCC1)c1nc(C2CCNCC2)oc1-c1ccccc1 95569577 HZBSWGAEQBJIOF-UHFFFAOYSA-N 353.466 3.871 0 3 FHAF O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1cccc(F)c1 95586935 NMIMNNFWSUROHT-UHFFFAOYSA-N 364.340 3.928 0 1 FHAF COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(O)cc2)cc1 473088014 HKOXGZHPQGTGTL-UHFFFAOYSA-N 355.415 3.869 0 1 FHAF CC(C)N1C[C@H](C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346513 RTNUMCSIJSENQC-PRPYNDMISA-N 369.436 3.989 0 1 FHAF CN1[C@H]2CC[C@H]1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335131 GRPDSKDPKCWSFI-WWMNNVMHSA-N 367.420 3.886 0 1 FHAF CC1(C)C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCO1 587618276 TVJMOXMMSDMQQI-DUXSXAKTSA-N 354.402 3.928 0 1 FHAF O=C1CSc2ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cc2N1 587044200 RRIIWHCHGGYHNL-UHFFFAOYSA-N 351.218 3.976 0 1 FHAF CCOC(=O)[C@@H]1[C@H]2Cc3nc4cccc5c4c(c3[C@@H]21)-c1ccccc1C5=O 587107274 RKHRTTWIGNMKRP-PNHOKKKMSA-N 355.393 3.895 0 1 FHAF COc1ccc(CCCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1OC 587925298 LHZINSYXASZBOI-UHFFFAOYSA-N 358.369 3.593 0 1 FHAF CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3C[C@@H]2C1)CC5 587213678 YXWUSHGXXJXAOG-HUUCEWRRSA-N 350.462 3.915 0 1 FHAF Cc1cn2c(n1)[C@]1(CC=C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590856 ZPQQIULALGNAJP-DYESRHJHSA-N 360.369 3.629 0 1 FHAF O=C(Cc1cccc(C(F)(F)F)c1)n1ncc2ccc(Cl)cc2c1=O 587652015 TYSBQTGJKAWPMO-UHFFFAOYSA-N 366.726 3.952 0 1 FHAF CO[C@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC1 587950324 BAISZMVMEGORER-DNOWBOINSA-N 357.454 3.525 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C)C[C@H]1n1cncn1)CC2=O 587478794 SZZIIRDQUDBVRG-CYFNAFFESA-N 355.438 3.702 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4ccccc4C)c1)[C@@H](C2)C3=O 587430455 FZCNNNPFOLSFMZ-HTAPYJJXSA-N 360.413 3.852 0 1 FHAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C2CC2)n1 587582404 PHRSPBLKDHYCSC-DYESRHJHSA-N 362.385 3.706 0 1 FHAF C[C@]1(c2cccc(OCC(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587526433 XPTNBLNDCZZMNB-JOCHJYFZSA-N 366.413 3.909 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(N)ccc32)N1 587747878 SRLOINOGVBZTNV-XTZNXHDOSA-N 361.258 3.894 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@](C)(c3ccc(-n4cccc4)cc3)c3cccc1c32 963033217 QIKQBLNPSFBICL-WAIKUNEKSA-N 357.457 3.794 0 1 FHAF CCN(C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714329 YVIDYXUZAGTSTP-SMKPUJKUSA-N 358.526 3.737 0 1 FHAF COc1ccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)cc1OC 165907728 WYXUUYVDGIFLQA-UHFFFAOYSA-N 370.434 3.544 0 1 FHAF CCCC1=Nc2ncnn2[C@@H](c2cccc(OC)c2OC)/C1=C(/O)OCC 103538871 PNJIKGOKTZTGCJ-UKJPIOLTSA-N 372.425 3.577 0 1 FHAF CCOc1ccc(C(=O)c2cc(OC)c(OCC)c(OC)c2)c(OC)c1 2356283916 GPWXMIJZCMZYCH-UHFFFAOYSA-N 360.406 3.741 0 1 FHAF CCCN(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C)cc1 28823142 PLCUFCIVSDOHPP-UHFFFAOYSA-N 353.871 3.746 0 1 FHAF CCOC(=O)c1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2 29562488 BXTHFJVBAFRCRI-PMACEKPBSA-N 373.880 3.697 0 1 FHAF COCCCN(CC[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)NCCCc1ccncc1 64637980 VQANCEKQLAYJEV-PWRODBHTSA-N 373.541 3.889 0 1 FHAF Nc1ncnc2c1c(-c1ccccc1)cn2[C@@H](CO)CCc1ccccc1 27995142 YWPFOIGAJAFXPL-GOSISDBHSA-N 358.445 3.847 0 1 FHAF CCCCC[C@H](O)C=CC=C(CCCCCCCC(=O)O)C[C@H](O)CO 2356746423 VEDXQLNICSIAQV-PMACEKPBSA-N 370.530 3.969 0 1 FHAF CNCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 38459315 NFSWESOWDXVPBY-HXUWFJFHSA-N 363.509 3.837 0 1 FHAF COc1c(O)cc([C@H]2COc3cc(O)cc(O)c3C2=O)cc1CC=C(C)C 4716516 GYRNAYOOXNCAQM-OAHLLOKOSA-N 370.401 3.680 0 1 FHAF biogenic COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1)c1ccco1 35259292 FZLXQAWYEBSNHR-HNNXBMFYSA-N 358.258 3.525 0 1 FHAF CC(C)CN(C)c1ncc(C(=O)N2CCCC2)c(-c2ccccc2F)n1 82151300 LKPGFINHFAHOIY-UHFFFAOYSA-N 356.445 3.611 0 1 FHAF COC(=O)C1(N2C(=O)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C2CC2)CCCC1 95798336 FHMIMVMRMGCREH-VVZAMHAXSA-N 369.461 3.871 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(C)c(CC(=O)O)c1C)CC2=O 587479711 AFLXVOLAXGORHC-QGZVFWFLSA-N 357.406 3.623 0 1 FHAF Cn1cc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587342891 QIPBOGKRMZCXJG-CTNGQTDRSA-N 366.392 3.625 0 1 FHAF C[C@@]1(c2ncc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568036 JZBRGTVPGCDAFQ-OXQOHEQNSA-N 369.323 3.942 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@H]1C[C@H]4[C@H]3[C@H]12 587603249 LHIQDJLFHLBIRD-HPJYVIJVSA-N 372.420 3.870 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(C3OCCO3)s1)CC2=O 587492810 CFUBVAZSWNIALY-CQSZACIVSA-N 361.419 3.553 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2c(Cl)ccnc2[nH]1)C[C@H]1CCCO1 587195959 KVFPJWTVFINCLZ-LLVKDONJSA-N 366.849 3.527 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC)c(Cl)cc2[nH]1)C(C)C 586932627 IDEXWFQAXFYVNB-OAHLLOKOSA-N 373.906 3.642 0 1 FHAF Cn1cnc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587575248 FBOFJSGAJSRYEP-KNQAVFIVSA-N 372.380 3.982 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587451945 CCXFHGKYPBJAGO-YCRPNKLZSA-N 352.386 3.605 0 1 FHAF CCOC(=O)CNc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587227410 MBMBPBUSNXOSGE-UHFFFAOYSA-N 367.302 3.761 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2cncn12 587585808 GMIKLGXHNBVKOJ-WIYYLYMNSA-N 358.353 3.743 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@H](c3cc(-c4cccc(F)c4)no3)c3cccc1c32 963025285 JTPBWRGSVUJPMY-LRTDBIEQSA-N 363.392 3.623 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@]2(CCC23CCCC3)N1 962632515 IZIDNJLTYUPUBG-YVEFUNNKSA-N 355.356 3.734 0 1 FHAF C[C@@H]1NC(c2ccc(C(F)(F)F)cc2)=Nc2nc3ccccn3c2C1=O 1772623190 YIKBCRMVIBWZOV-JTQLQIEISA-N 358.323 3.606 0 1 FHAF COCc1ccc(C(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)s1 11840763 DMNRBYJGHBMMFI-KRWDZBQOSA-N 358.507 3.631 0 3 FHAF CC(=O)Oc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@H](C)OC2=O 14887355 CTKJAUGEWDLMLQ-GBVBUYCNSA-N 360.406 3.799 0 1 FHAF endogenous,in-man CCOC(=O)C1=C(N)Oc2cc3c(cc2[C@H]1c1cccc(Cl)c1)CCN3 1857653465 SGFFGTFFQUCDTH-QGZVFWFLSA-N 370.836 3.566 0 1 FHAF CCn1cc(C(=O)N2CC=C(c3ccccc3)CC2)c(=O)c2ccc(C)nc21 3017570 MOOZWTRXZAGZGI-UHFFFAOYSA-N 373.456 3.654 0 3 FHAF O=C(Nc1cccnc1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 4192716 KWZJSEIGYQNKLC-RTWAWAEBSA-N 369.424 3.557 0 1 FHAF COC(=O)[C@]1(C(F)(F)F)[C@@H]2C=C[C@@H](C2)N1c1nc2ccccc2s1 4597937 KTAFDVDXSBFXOK-FTGAXOIBSA-N 354.353 3.535 0 1 FHAF CN(c1ccc(C(=O)Nc2cccs2)cc1)S(=O)(=O)c1ccccc1 29056970 ZGFQBZJNUOODAM-UHFFFAOYSA-N 372.471 3.826 0 1 FHAF Nc1nc(N)c2c(n1)N[C@@H](c1ccc(F)cc1)[C@H]1CCc3ccccc3C1=N2 53242680 DNVQIUSHIPXGAR-CVEARBPZSA-N 374.423 3.630 0 1 FHAF COc1ccc2c(c1)Oc1ncn(C)c(=N)c1[C@@H]2c1ccc(Cl)cc1 103102850 WTTMQHAWCYAMRS-MRXNPFEDSA-N 353.809 3.847 0 1 FHAF O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2ccccc2CC1 27719238 YABITBYMJYNNDT-UHFFFAOYSA-N 368.521 3.577 0 1 FHAF COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCC4)ccc32)cc1 28818068 ZOQAPWIJYCXCQM-HSZRJFAPSA-N 366.505 3.747 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](N(C=O)C5CC5)CC[C@@H]4[C@@H]3CC[C@@H]12 36189718 SNGXJCVQBMSSNF-YLJYOXEESA-N 372.553 3.839 0 1 FHAF COc1cccc(CN2C(=O)COCc3ccc(-c4cccnc4)cc32)c1 74375587 QAELXMFAMRCBTQ-UHFFFAOYSA-N 360.413 3.821 0 3 FHAF C=CC1=C(C(=O)NCCc2cccc(F)c2)[C@H](c2ccc(OC)cc2)OC1 73219524 NBIIDAIWQNEXBG-NRFANRHFSA-N 367.420 3.747 0 1 FHAF C[C@@H](CO)NC(=O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 40409744 GPRZPRFYHAPMHT-NSHDSACASA-N 354.233 3.683 0 1 FHAF COc1cccc(C2=CN3C(=O)c4cc(OC)c(OC)cc4N=C[C@@H]3C2)c1 49803665 GUFNVILRGOMSGD-HNNXBMFYSA-N 364.401 3.684 0 1 FHAF C[C@@]12CC[C@H](O)CC1=CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 82123192 ZICGJBPBLVXOBM-XXDIBGJSSA-N 372.505 3.524 0 1 FHAF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@H]3C=C[C@]12O 257375473 AFPPVJHFFGBKOB-YODYKAKKSA-N 372.461 3.695 0 1 FHAF endogenous,in-man COC(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587114041 QHVRVSBMMTZYFI-ZDUSSCGKSA-N 363.339 3.611 0 1 FHAF CCCc1sc(=N)[nH]c1-c1nc2c(C)c(Br)cnc2[nH]1 587013602 SQRRUEMSYMMJNQ-UHFFFAOYSA-N 352.261 3.517 0 1 FHAF COc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(Cl)c1O 587046441 USMHOELHLGWRSR-UHFFFAOYSA-N 354.696 3.919 0 1 FHAF CC(=O)C[C@@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587718156 HUXCLHAWSAHBOD-JKYUHCHBSA-N 350.178 3.562 0 1 FHAF Fc1cncc(Cl)c1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587176561 WAFYOBOHUWNQFO-UHFFFAOYSA-N 366.105 3.755 0 1 FHAF Cc1nccc2[nH]c(-c3cc(I)ccc3F)nc12 587182665 MZVCIRJYVIOJOB-UHFFFAOYSA-N 353.138 3.677 0 1 FHAF COC(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2n1 587195026 AZHCRBGHOHCZJM-UHFFFAOYSA-N 372.428 3.951 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cc(F)ccc1F)CC2=O 587468477 XDCXTUGSOHCKEA-LJQANCHMSA-N 362.328 3.568 0 1 FHAF Cc1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 587038949 VOAIGEHQQNCJPQ-NSHDSACASA-N 353.451 3.619 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3ccc(Cl)nn13)CC2=O 587463309 WLSMONHSVSAAHG-OAHLLOKOSA-N 357.797 3.747 0 1 FHAF O=C(O)/C=C\c1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1 586878505 FODMKKGQVZJDMG-WAYWQWQTSA-N 362.158 3.624 0 1 FHAF Cc1c(-c2nc3ncc(Br)c(C)c3[nH]2)oc2c1[C@@H](O)CCC2 586904854 CHRVUGLGHNRHSH-JTQLQIEISA-N 362.227 3.967 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(CCNC(=O)OC(C)(C)C)CC2=O 587470043 LDRQXWQAZOYRAH-FQEVSTJZSA-N 363.454 3.983 0 1 FHAF CC(C)OC[C@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186706 VNZPHNQIVLRWDF-ABAIWWIYSA-N 365.779 3.598 0 1 FHAF COc1ccc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c(N)c1OC 963105007 MMBXGJGUOBVKNX-QVKFZJNVSA-N 356.441 3.709 0 1 FHAF CN(C)C(=O)Cc1c(-c2ccc(C(F)(F)F)cc2)nc2ccc(F)cn12 1772615170 ADXSCPHEGRVZQC-UHFFFAOYSA-N 365.330 3.790 0 1 FHAF Cc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12 13581554 AGCKHWQMNGDPJJ-UHFFFAOYSA-N 359.473 3.953 0 1 FHAF Cc1c(CCN2CCN(c3ccccn3)CC2)c2cccc3c2n1CCC3 13740399 PXBYABMFCXENFV-UHFFFAOYSA-N 360.505 3.656 0 1 FHAF Cc1cc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccc(Cl)c(Cl)c2)no1 169299252 UOHXLVYVKFLPNS-ZFWWWQNUSA-N 352.221 3.800 0 3 FHAF NC(=S)N1N=C(Nc2nc(-c3ccccc3)co2)C[C@@H]1c1ccccc1 169350070 RJTDNJZGTNOTDE-MRXNPFEDSA-N 363.446 3.758 0 1 FHAF CCOc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1 165451970 NVVKFCFAEMFCSU-UHFFFAOYSA-N 354.435 3.926 0 1 FHAF COc1ccc(-c2cc(=N)[nH]n2C(=O)c2c(-c3ccccc3)noc2C)cc1 1857557493 PICZDDYQXHMXMO-UHFFFAOYSA-N 374.400 3.623 0 1 FHAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccccc3C)CC2)c1 1857638165 XVDMYJCSZGEGAQ-UHFFFAOYSA-N 354.523 3.521 0 1 FHAF Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2nocc12 1857759819 IJWLRLCVCXSLAI-UHFFFAOYSA-N 363.217 3.720 0 1 FHAF Cc1cc(C)c2c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c(=O)oc2c1 6521878 XBRMVHHPNUDZON-UHFFFAOYSA-N 364.806 3.602 0 1 FHAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCCOC 2356564613 VWEVSUSNDAHANL-HGJUEJDCSA-N 354.531 3.605 0 1 FHAF COc1ccc(-c2csc([C@@H](NC(C)=O)c3cccc(F)c3)n2)cn1 61925833 KKLJBDYAMUOCNR-KRWDZBQOSA-N 357.410 3.578 0 3 FHAF COc1ccc(C[C@H](N)c2csc(NC(=O)c3ccc(F)cc3)n2)cc1 61896956 GRXVBCINUVIVTM-INIZCTEOSA-N 371.437 3.786 0 3 FHAF CC1CCN(C(=S)N2CCC(c3cccc(Br)c3)=N2)CC1 35982887 VFQCANMKSGZVOZ-UHFFFAOYSA-N 366.328 3.876 0 1 FHAF COc1cccc(OC)c1O[C@@H](C)[C@@H](O)c1ccc2c(c1)OC(F)(F)O2 84739086 CQWUVEFKZGIXFL-MGPLVRAMSA-N 368.332 3.526 0 1 FHAF C[S@](=O)c1ccc(N=c2nc(-c3ccncc3)[nH]c3ccccc23)cc1 653702280 LYDXUAZFPFHHFC-SANMLTNESA-N 360.442 3.595 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cn4cc(C)cc(Cl)c4n1)[C@@H](C2)C3=O 587422869 VOIRNRGCYXJBDQ-KPZWWZAWSA-N 354.793 3.793 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cccnc1)[C@@H](C2)C3=O 587427475 IBSVGRXKTUCUTM-AVRDEDQJSA-N 361.372 3.921 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1cccc(C)c1)[C@@H](C2)C3=O 587448169 ZSZZHBLAGQADRW-JTSKRJEESA-N 366.413 3.901 0 1 FHAF O=S(=O)(/C=C\c1nc2cccc(Br)c2[nH]1)c1ccccc1 586926415 PMSURZLNTQFBIH-KTKRTIGZSA-N 363.236 3.770 0 1 FHAF CCOC(=O)C(F)(F)[C@H]1CCC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587383285 VMEWJDDYESDAMX-SGTLLEGYSA-N 367.392 3.670 0 1 FHAF CCOC(=O)[C@@H](C)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441130 JCMWWYZQMRJOML-NYFKNOIKSA-N 366.413 3.537 0 1 FHAF CCN1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)C1 587759198 FDSHUNIDMMEIFP-PEBVRCNWSA-N 355.295 3.679 0 1 FHAF COc1ccc(/C=C\Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(OC)c1 587931248 ZWSDZLHYLNDRPU-WAYWQWQTSA-N 365.433 3.538 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn3ccnc23)N1 587770566 AMGKUCDMIYHFMY-QLJPJBMISA-N 360.230 3.860 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)ncn1C)CC2=O 587461102 WPSCTEJNTXAUPR-ZDUSSCGKSA-N 365.227 3.547 0 1 FHAF O=C(O)[C@@H]1CCC[C@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587613347 YTKLKFCFVJQGIA-QKAVXHIFSA-N 368.385 3.758 0 1 FHAF CCOC(=O)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800261 WKNRIMYPJAOSRZ-MGPLVRAMSA-N 358.251 3.681 0 1 FHAF CCN1CCC([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587770655 SMBWXOHFBQCQDH-DIFFPNOSSA-N 355.295 3.895 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)O2 587393422 IGNJUDYAPGCYII-QKKBWIMNSA-N 374.481 3.948 0 1 FHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(F)c(C(=O)O)cc2[nH]1 587147810 SDDDFEUVYWXBQN-UHFFFAOYSA-N 372.306 3.746 0 1 FHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2ncco2)(C2CCCCCC2)N1 962903540 MMZXEAJADGYDTC-PXNSSMCTSA-N 358.413 3.627 0 1 FHAF COc1ccc(C[C@H]2CC[C@](O)(Cc3cc(-c4cn[nH]c4)on3)CC2)cc1 1772624919 FPZWRKGJZUKONT-NBEIKUQISA-N 367.449 3.780 0 1 FHAF CCCCOn1c(Sc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O 5973731 NFHFRTIAZUVNRL-UHFFFAOYSA-N 362.495 3.657 0 1 FHAF O=C(C1CC1)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1 11789282 PIJSBZXHUKZDMZ-UHFFFAOYSA-N 374.488 3.790 0 1 FHAF Cc1ccc(CN2CCCC[C@H](NC(=O)c3ccc(C)cc3)C2=O)cc1 200053005 WXFHUDPKMRUKCT-FQEVSTJZSA-N 350.462 3.615 0 3 FHAF O=C(NCCCc1ccc(Cl)cc1Cl)[C@@H]1COc2ncccc21 205628379 ICVYFJUGDDMKTI-CQSZACIVSA-N 351.233 3.613 0 1 FHAF C[C@@H]1C[C@@H](C)CN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1 766871 NPNXVDAIEHULFX-ZIAGYGMSSA-N 366.440 3.943 0 1 FHAF CC1=CC[C@@H]2[C@H](C)CC[C@@H]3[C@H](CC(=O)O)[C@H](O)[C@]4(C)CC(=O)[C@@H]1[C@@H]4[C@@]32C 2356381076 ZSUVPFNZNXWINV-MIQMTCBQSA-N 360.494 3.682 0 1 FHAF CCCCO[C@@H]1CC[C@](C)([C@H]2COC(C)(C)O2)O[C@@H]1CCC(C)=CCO 2356450752 ILAZJBNDAIHSRE-ANTGDGSKSA-N 370.530 3.980 0 1 FHAF CC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(F)cc1c2=O 61921295 JNYMDLLCUYPKNY-QGZVFWFLSA-N 373.387 3.873 0 3 FHAF CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCOCC3)c(=S)o2)cc1 64453539 DRBVKLRSTQKXLR-OAHLLOKOSA-N 361.511 3.846 0 1 FHAF NCCNC(=O)c1nccc2c3ccccc3n(CCCc3ccccc3)c12 64755074 IPCVJRPTFODLGH-UHFFFAOYSA-N 372.472 3.511 0 1 FHAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(c3cncnc3)C[C@H]2C1 29127793 GDPOVVOCCNPUOW-OFNKIYASSA-N 360.505 3.655 0 1 FHAF CC1=C(C(=O)OC(C)C)[C@@H](c2nccs2)N2C(=N1)Nc1ccccc12 1911584437 SMVLZERZQULSLE-HNNXBMFYSA-N 354.435 3.712 0 1 FHAF CCOC(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3OCC)n2)C1 72185618 JAHYAWLVSRQKOV-HNNXBMFYSA-N 358.438 3.515 0 1 FHAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)O)c(Cl)c2)n1 72123238 LAUOIISFYDWVAF-UHFFFAOYSA-N 368.784 3.523 0 1 FHAF CCN(C(=O)c1ccccc1OCc1ccccc1)[C@@H]1CCC[C@H](N)C1 96286343 FXOYOOYJFZTVMN-RBUKOAKNSA-N 352.478 3.998 0 1 FHAF CC(=O)O[C@@H]1C[C@]2(C)CC(=O)CC[C@@H]2[C@@](C)(CCC2=CCOC2=O)[C@H]1C 85884722 QDTUSVHHDVBLPZ-QVYGPBMOSA-N 362.466 3.603 0 1 FHAF biogenic COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587446888 HNDXGLKPBMJILY-HRAATJIYSA-N 352.386 3.593 0 1 FHAF CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)CC1 587632149 QBUIFSCTSYYPBP-UHFFFAOYSA-N 366.820 3.684 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cn(C(C)=O)c4ccccc14)[C@@H](C2)C3=O 587432303 WBLHYSSZFXRWRL-KSFYIVLOSA-N 361.397 3.973 0 1 FHAF N=c1[nH]ccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541042 DDGUHQMQWNLKLO-YJBOKZPZSA-N 368.776 3.556 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)C1CCCC1 587225594 MEBBSEJUAGFUFW-OAHLLOKOSA-N 371.441 3.901 0 1 FHAF Cc1cncc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587004560 WVWWMJUTJSRDTC-JTQLQIEISA-N 372.222 3.664 0 1 FHAF C[C@@]1(c2ccncc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330494 BTAZZADMDKUQQU-FPOVZHCZSA-N 364.376 3.783 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ccnn12 587585689 GUYRUGCUOFTDNU-RXVVDRJESA-N 358.353 3.743 0 1 FHAF CCOC(=O)[C@@H](C(C)=O)c1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587107614 RWSUDVUJWOZYED-IBGZPJMESA-N 373.408 3.990 0 1 FHAF CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc21 587503109 CQZPXQBYPSLVMD-NRFANRHFSA-N 351.377 3.542 0 1 FHAF Cc1ccnc([C@@]2(c3ccccc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963035533 RXURBWNPOYFNDB-OSPHWJPCSA-N 369.468 3.735 0 1 FHAF COc1ccccc1N1CCN(CCCCC(=O)c2cccc(O)c2)CC1 13493238 VRSBIIKXTBNKRP-UHFFFAOYSA-N 368.477 3.576 0 1 FHAF COc1cc2cc(c1OC)-c1cc(ccc1O)C(=O)C[C@@H](O)CCCC2 14686747 HBPMCGRQMGSKIQ-HNNXBMFYSA-N 356.418 3.737 0 1 FHAF biogenic OC1CCN(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1 14970887 DAGIKZZLKORVEA-UHFFFAOYSA-N 354.841 3.753 0 1 FHAF CC(=O)O[C@@H](CO)COC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C 15214136 AGTWDMOYYUBVGR-BNAHBJSTSA-N 352.471 3.873 0 1 FHAF COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccc(F)cc2)cc1Cl 169298079 YCPYCLJRNNXUFV-WMZOPIPTSA-N 360.816 3.998 0 3 FHAF Cc1cnc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cn1 4264642 ZYPDDDVHNCSAHH-UHFFFAOYSA-N 371.400 3.736 0 1 FHAF CCCC(=O)Oc1c(OC)cc(O)c2c(=O)c(O)c(-c3ccccc3)oc12 14757311 HVJUOMVSARTYMR-UHFFFAOYSA-N 370.357 3.585 0 1 FHAF biogenic CCOc1c(F)cc2c(=O)c(C(=O)O)cn(C(C)(C)CF)c2c1Cl 26960714 JTROVMYEHLSWGS-UHFFFAOYSA-N 359.756 3.596 0 1 FHAF O=S1(=O)N=C(O)CN1c1c(Cl)sc(-c2ccccc2)c1Cl 28886905 WAMDTAMGZONJDY-UHFFFAOYSA-N 363.247 3.743 0 1 FHAF Cc1ccc(N2CCN(CC[C@@H]3c4ccccc4C(=O)N3C)CC2)cc1C 29243971 XFXYHGUUKCNNDR-JOCHJYFZSA-N 363.505 3.642 0 1 FHAF CCOC(=O)c1[nH]c2ccccc2c1Cc1cc(OC)c(OC)c(OC)c1 45260925 ZJFVTDBKKGFIAA-UHFFFAOYSA-N 369.417 3.961 0 1 FHAF C[C@@]1(c2ccccc2)CCCN(C(=O)NCCc2ccc3nccnc3c2)C1 49013890 DFXLYUBDPQCNSA-HSZRJFAPSA-N 374.488 3.936 0 1 FHAF c1csc(CNc2ncnc3c2nc(C2CC2)n3C[C@H]2CCCO2)c1 82178172 ZPGJJDPUIDGXAP-CYBMUJFWSA-N 355.467 3.556 0 1 FHAF Cc1cc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)ccn1 95594004 JXTBOJKQARYDRS-UHFFFAOYSA-N 360.870 3.782 0 1 FHAF Cn1c(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)nc2ccccc21 95605868 SVGVQUXKUFFTGZ-UHFFFAOYSA-N 363.442 3.915 0 1 FHAF CC(C)(C(=O)O)[C@@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]1(C)CC(=O)O)[C@@]1(C)O[C@@H]31 100782189 QGTMYAPGXJWNQR-FYEVZXGNSA-N 350.455 3.562 0 1 FHAF endogenous,in-man O=c1cc(-c2ccccc2OCc2ccccc2)oc(N2CCOCC2)c1 101074797 WTBJFFHLMLEZKK-UHFFFAOYSA-N 363.413 3.722 0 1 FHAF CCOc1ccccc1NC(=O)[C@@H](CC)Sc1nc2cc[nH]cc-2n1 102401910 KCXNTMSSUBYTFU-MRXNPFEDSA-N 356.451 3.818 0 1 FHAF Cc1ccc(/C(=C/C(=O)NCCc2ccc(O)cc2)c2ccncc2)cc1 103185960 JBFQZYPZKWIPTI-JWGURIENSA-N 358.441 3.886 0 1 FHAF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(F)cc3)cc1)CC2 115603400 QACAURHEZMYCGU-QGZVFWFLSA-N 369.352 3.828 0 1 FHAF Cn1cc(-c2cc(C(=O)O)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144810086 USBGNNNKGFLMJI-SFHVURJKSA-N 374.318 3.564 0 1 FHAF O=C(O)[C@@H]1CCCN(CCO/N=C/c2ccccc2-c2ccc(F)cc2)C1 147047530 RMGSDZUVGUENSJ-UEIZDATPSA-N 370.424 3.640 0 1 FHAF COC(=O)c1[nH]nc([C@H](O)c2ccc(Cl)cc2)c1-c1ccc(OC)cc1 169690323 CPBULYPIENLSMT-GOSISDBHSA-N 372.808 3.607 0 1 FHAF C[C@@H](c1c(F)cc2ncccc2c1F)c1nnc2ccc([C@@H](C)N=O)nn12 169694298 CLJYQQITDCCBCJ-VHSXEESVSA-N 368.347 3.930 0 1 FHAF CSc1ccc(S[C@@H]2CC(=O)N2C(=O)NCc2ccccc2)cc1 299871707 ZAKKPMXWLOOKFJ-QGZVFWFLSA-N 358.488 3.969 0 1 FHAF Clc1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 587070306 RXBJSKUGJAWSKA-UHFFFAOYSA-N 355.566 3.883 0 1 FHAF N=c1nc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2c(Cl)[nH]1 587159285 WZMZDIVCMWUOMS-UHFFFAOYSA-N 367.771 3.704 0 1 FHAF Cc1ccc(C)c2[nH]c([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)nc12 587203688 RKXPQYCZQFNJFZ-OAHLLOKOSA-N 367.405 3.622 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587232121 UGFGIQFAPQKITQ-NWDGAFQWSA-N 369.387 3.618 0 1 FHAF Nc1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1C(=O)O 587248802 WOHVHTJJZDFYMM-UHFFFAOYSA-N 357.369 3.741 0 1 FHAF N[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C1CC1 587255306 CRMUWDRNYQTBRG-SNVBAGLBSA-N 350.138 3.634 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(C)n1)[C@@H](C2)C3=O 587412032 GUCILELGCMIHLD-GTNSWQLSSA-N 360.207 3.650 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1oc4nc(C)cc(C)c4c1N)[C@@H](C2)C3=O 587431802 GUQFIXVIEDFACH-ZSEKCTLFSA-N 364.401 3.698 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cn(C(C)=O)c4ccccc14)[C@@H](C2)C3=O 587432301 WBLHYSSZFXRWRL-AOMKIAJQSA-N 361.397 3.973 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4cccs4)nn1C)[C@@H](C2)C3=O 587452650 SIXCASWOCFGATR-HXPMCKFVSA-N 352.415 3.646 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(Cn1nnc3ccccc31)CC2=O 587482451 ZVFWAGMBTWXEQV-HXUWFJFHSA-N 351.406 3.514 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2n[nH]cc2c1 587594145 KMNOYSGIJVBIPJ-WIYYLYMNSA-N 358.353 3.971 0 1 FHAF COCC(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587796693 UNMBLSVVRGPVDX-DIFFPNOSSA-N 372.278 3.579 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC(=O)C[C@H]3C2)N1 587819210 UFHDVMCNGNEVTL-USWWRNFRSA-N 352.247 3.707 0 1 FHAF COCc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852110 DDBLKFDCGHXWPA-XLKFXECMSA-N 371.275 3.815 0 1 FHAF COc1ccccc1CC(=O)c1nc2c(OC(F)(F)F)cccc2[nH]1 587928939 FCOPYFOMLDIYDT-UHFFFAOYSA-N 350.296 3.896 0 1 FHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](Cc2ccncc2)N1 963185730 SEOOINXYAYXNGJ-QWHCGFSZSA-N 370.758 3.637 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c[nH]c2ncc(Cl)cc12 963636492 RJYANNPEOONHOL-XTZNXHDOSA-N 357.841 3.857 0 1 FHAF C[C@@H](c1ccccc1)N1CC[C@@H](N2CCC(c3ccc(O)cc3)CC2)C1=O 1772574791 WKOQGHBYQWAKIH-HTAPYJJXSA-N 364.489 3.934 0 1 FHAF Clc1cccc(-n2cc(CN3CCc4c([nH]c5ccccc45)C3)nn2)c1 1857601711 KJLWOPFHIVZPST-UHFFFAOYSA-N 363.852 3.960 0 1 FHAF CC(=O)Oc1cc(O)c2c(c1)C=CCCC[C@@H](O)CCC[C@H](C)OC2=O 1857627604 YZEOCIDFBYMBCT-XJKSGUPXSA-N 362.422 3.591 0 1 FHAF CCN(C(=O)c1ccc2c(c1)N(C1CC1)[C@@H](C)C(=O)N2C)C1CCCCC1 1857646363 DKRMGTXAFIWBPE-HNNXBMFYSA-N 369.509 3.815 0 1 FHAF c1ccc(CNCCCn2cnc3c(OCc4ccccc4)ncnc32)cc1 61936013 VMSAPPJUCRPLSH-UHFFFAOYSA-N 373.460 3.585 0 3 FHAF CCN(Cc1ccccc1)C(=O)CCCN1C(=O)COc2ccc(C)cc21 203474488 ZISVQVGCOZXNCG-UHFFFAOYSA-N 366.461 3.549 0 3 FHAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCC(C)(C)CO 4216539 RNEVKZSLZUEJBL-OALUTQOASA-N 360.498 3.835 0 1 FHAF CCOC(=O)c1nc(Nc2ccc(F)c(Cl)c2)c2c(C)noc2n1 21645916 PAOMSGKJAKBLKL-UHFFFAOYSA-N 350.737 3.639 0 1 FHAF Oc1cccc2c1C[C@@H]1CCCN(C/C=C/I)[C@@H]1C2 27413655 VLADFNAJLNALFZ-PFORQJHVSA-N 369.246 3.520 0 1 FHAF COc1ccc(-c2ccc(C(N)=O)nc2)cc1OCCCc1ccccc1 27853267 NEVFUCXQFFIKTJ-UHFFFAOYSA-N 362.429 3.868 0 1 FHAF CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2)[nH]1 28220449 XRROKBKWPJYGAX-UHFFFAOYSA-N 350.802 3.940 0 1 FHAF Cc1cnsc1[C@@H](c1ccc(C(C)C)cc1)N1CCN(C[C@@H](C)O)CC1 28253954 XYWOULVRZHKIPZ-YLJYHZDGSA-N 373.566 3.663 0 1 FHAF C[C@@](O)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F 34641025 HEYYMMKRFXWVJQ-CQSZACIVSA-N 364.772 3.943 0 1 FHAF C[C@H]1CCc2nc(CCCN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2C1 40412889 FHITVFDYWLZSRT-KRWDZBQOSA-N 363.505 3.617 0 1 FHAF CC[C@@H]1C(=O)N2C=CSC2=[N+](Cc2ccc(-c3ccccc3)cc2)C1=O 40554742 BGZULEMVJLVKNZ-GOSISDBHSA-N 363.462 3.835 0 1 FHAF CCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1 40952202 QVTJBUGLMQTEPZ-HXUWFJFHSA-N 372.440 3.910 0 1 FHAF CN1[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1[C@H](O)C2 101038317 NRKFYDQWSIYFGJ-IYWMVGAKSA-N 359.416 3.667 0 1 FHAF C[C@H](Cn1c(O)cc(=O)n([C@@H]2C[C@@H]3CC[C@@H]2C3)c1=O)c1cccc(Cl)c1 169729785 LDOWZFMZLDFQIR-GKLJAUDBSA-N 374.868 3.534 0 1 FHAF C[Si](C)(C)CC[C@@](O)(Cn1cncn1)c1ccc(Br)cc1 196062070 NUFCJUSUINRZQG-OAHLLOKOSA-N 368.351 3.657 0 1 FHAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 586923008 VJVZWTAFKHHAOX-UHFFFAOYSA-N 356.234 3.725 0 1 FHAF Cc1ccc(-c2nnc(SCc3nc4ccc(C)nc4[nH]3)n2C)cc1 586965875 TWRGFUUGXAARNM-UHFFFAOYSA-N 350.451 3.663 0 1 FHAF CCOC(=O)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586993685 ZCQMQSIJWIXFJJ-GFCCVEGCSA-N 373.408 3.820 0 1 FHAF COC(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1OC 587081404 UUQYUMKCVPXKHK-AWEZNQCLSA-N 358.781 3.688 0 1 FHAF Clc1cccc(C2(c3nc4ccc(CN5CCOCC5)cc4[nH]3)CC2)n1 587084677 QLDFHEYBVKSYHL-UHFFFAOYSA-N 368.868 3.523 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](n1cnnc1)C3 587105290 XAKXBHIJQFLUTL-ZDUSSCGKSA-N 352.397 3.768 0 1 FHAF FC(F)(F)c1ccn(CCc2nc3cc(Cl)nc(Cl)c3[nH]2)n1 587118202 KTOXVZPVNSELMO-UHFFFAOYSA-N 350.131 3.723 0 1 FHAF COC(=O)c1cccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232623 WRKCMNHSQLEEPT-UHFFFAOYSA-N 361.401 3.899 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(c3ncc4c(Cl)nccn34)C1)O2 587382778 SCLHMMGCIWEHOM-UHFFFAOYSA-N 368.824 3.555 0 1 FHAF CCCCCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587401103 SLWAHOIOAJCQSV-JOCHJYFZSA-N 364.445 3.975 0 1 FHAF O=C(NC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCc1ccccc1 587511277 JQBIKPCDRMCCEB-QGZVFWFLSA-N 365.429 3.826 0 1 FHAF COc1cncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587584508 APDSHNCTYMZSDF-NQIIRXRSSA-N 363.369 3.673 0 1 FHAF Cc1ncc2c(n1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584839 BENDFCBNCRTBQC-UGKGYDQZSA-N 374.396 3.684 0 1 FHAF O=C(CCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CC1 587602609 KDVSDJGPVKUGCZ-PKOBYXMFSA-N 352.386 3.872 0 1 FHAF O=Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587610069 PLEUOTAHIRSFIC-UTKZUKDTSA-N 362.337 3.613 0 1 FHAF CN1CCC[C@H]1CCn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656312 JOTRGZKWOYBSHE-HNNXBMFYSA-N 369.415 3.826 0 1 FHAF CC(C)[C@@]1(c2nccn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587754373 LXLCJDFLDXBSSO-PIGZYNQJSA-N 366.278 3.756 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cncn23)N1 587770010 HMDJUGAOQVMROO-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF Cc1nc2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2cc1Br 587968350 ANQVXVKANWUBIO-UVAGUKSRSA-N 360.255 3.676 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C=C(NC)NC)(c2ccccc2C)N1 962961670 XZGQDXIXBLDPSK-MZNJEOGPSA-N 374.532 3.924 0 1 FHAF Cc1ccnc2c1CCN[C@@]2(CC(=O)C(F)F)c1ccc(Cl)cc1 963073510 QKXSSXIDLMTTDI-SFHVURJKSA-N 350.796 3.657 0 1 FHAF CC=C(CN(C)C)[C@@H]1CC(=O)c2[nH]c3ccccc3c2C=C[C@H]1C(=O)OC 2356736968 GAEVJZYUDKVBCT-MSOLQXFVSA-N 366.461 3.681 0 1 FHAF CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(C)c2)c1 1343576 JJQUYOUTODVREX-IBGZPJMESA-N 365.433 3.833 0 3 FHAF CC1=C[C@H](C)[C@H](C)O[C@H]1CC(=O)c1c(O)ncc(-c2ccc(O)cc2)c1O 2356454958 BUBCXTSXJBEQKQ-FNFWKMNBSA-N 369.417 3.808 0 1 FHAF O=C1c2ccccc2C(=O)N1CCn1c(-c2ccccc2)nc2ccccc21 29465840 NQWZGNAMSUOGIK-UHFFFAOYSA-N 367.408 4.000 0 1 FHAF COc1ccc(-c2cscc2-c2ccc(S(N)(=O)=O)cc2)cc1F 26742038 DDLFHUMKBIUTAS-UHFFFAOYSA-N 363.435 3.877 0 1 FHAF CCc1nc2c(OCCn3cccc3)cccn2c1N(C)C(=O)CC(C)C 61904752 DNXLQBAXNHPLQV-UHFFFAOYSA-N 368.481 3.786 0 3 FHAF C[C@H](CO)[C@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 28476523 GBDKABQMLPYTIM-QLJPJBMISA-N 360.809 3.762 0 1 FHAF COC=C(C(=O)OC)[C@H](C)[C@H](C=Cc1ccc(Cl)c(OC)c1)OC 2356538443 DPNYGWABRKPFDE-LRDDRELGSA-N 354.830 3.716 0 1 FHAF Cc1cc(C[C@H]2NC(=O)NC2=O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 62260350 YQQIKAFMFXBDEB-QGZVFWFLSA-N 368.433 3.675 0 1 FHAF CCC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(O)cc2)NC(=O)N1 73314336 UWMZKGGZGIBTDI-GOSISDBHSA-N 358.438 3.534 0 1 FHAF O=S(=O)(c1ccccc1)N1c2ccccc2-c2n[nH]cc2[C@@H]1C1CC1 45260108 YEPOEURJNMOUOI-IBGZPJMESA-N 351.431 3.737 0 1 FHAF COc1cccc(-c2cc3c4c(cccc4c2)C(=O)N(CCN(C)C)C3=O)c1 96939253 XATHFMDNDYGQFT-UHFFFAOYSA-N 374.440 3.673 0 1 FHAF Cc1nc2sc(C(=O)NCCc3ccncc3)c(N)c2c(C)c1Cl 95597593 HAWNQZRMYJRVQT-UHFFFAOYSA-N 360.870 3.516 0 1 FHAF Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NC2CC2)cn1 143925261 ZSIMYOZDODKNHZ-UHFFFAOYSA-N 367.380 3.655 0 1 FHAF O=C(O)CCc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1 147448975 ZMFSFVPWWUDQFF-UHFFFAOYSA-N 365.414 3.954 0 1 FHAF Cc1cccc(-c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)n1 587649255 GKTVNZNYYOJERH-UHFFFAOYSA-N 354.353 3.961 0 1 FHAF CCOC(=O)C[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794801 GRRFKUVKWHQXPG-PIGZYNQJSA-N 372.278 3.927 0 1 FHAF CCOC(=O)c1ccc(C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440822 IFKAYQAUDZRHBR-VGSWGCGISA-N 366.413 3.621 0 1 FHAF Brc1ccnc2[nH]c(C[C@H]3OCCc4ccsc43)nc12 587036895 PAVYSDASFBLVDC-SNVBAGLBSA-N 350.241 3.638 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCC1CCOCC1 587609594 OEHOACACQSKLAA-HKUYNNGSSA-N 354.402 3.929 0 1 FHAF COc1ccccc1CN1C[C@H](c2cn(C)c3ccccc23)[C@@H](N(C)C)C1 584905614 CXQQECCQTKSQKN-IRLDBZIGSA-N 363.505 3.717 0 1 FHAF in-vitro CN1CCC[C@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 587342712 GTNQFCAJFQJZBS-GJULWVSJSA-N 369.436 3.991 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C=O)n(C)c2)N1 587753053 HMERBSWKQZNPMZ-BMLIUANNSA-N 365.246 3.537 0 1 FHAF COc1cc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1F 586973699 QRVZNBCWVWUGLT-KRWDZBQOSA-N 373.453 3.821 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC3(C2)OCCO3)N1 587837485 HPYCSIYWFXUFBZ-MEDUHNTESA-N 370.262 3.635 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587231604 PLTIMLQFMKPMHM-GJZGRUSLSA-N 357.498 3.897 0 1 FHAF COc1c(C)cc(O)n1-c1nn(COc2ccccc2F)cc1Cl 587946866 YEQBNMWZHLFJKD-UHFFFAOYSA-N 351.765 3.525 0 1 FHAF O=C(/C=C\c1nc2ccc(Br)c(O)c2[nH]1)Nc1ccccc1 587245295 VHSARIHRCJBNBS-HJWRWDBZSA-N 358.195 3.683 0 1 FHAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(C)sc1C)[C@@H](C2)C3=O 587453922 VGARQBQIFSIBKE-MGPUTAFESA-N 372.442 3.881 0 1 FHAF COc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2cc1C 586950419 GTWWLJJTBKRVEJ-UHFFFAOYSA-N 359.451 3.697 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(C(=O)OC)c1)CC2=O 587468320 UCKYMSDCBORQTM-GOSISDBHSA-N 358.365 3.977 0 1 FHAF COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587772852 PGEDMJKHLDCTFO-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF CCOc1cc(C=O)c(OCC)n1-c1cnc(Cc2ccc(F)cc2)nc1 587946383 SCFPXXUYCKGNNZ-UHFFFAOYSA-N 369.396 3.607 0 1 FHAF Cc1[nH]nc2ccc(C(=O)N3CCOC[C@@H]3c3ccc(Cl)cc3)cc12 1155568301 VZPGERSMGVRRCU-GOSISDBHSA-N 355.825 3.738 0 1 FHAF C[C@]1(c2cccs2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962635063 ODIFJEZBQFRNJV-ZUZCIYMTSA-N 357.353 3.509 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1cccc(F)c1)(C1CCC1)NCC2 962932079 DKODDUNWHXKTEC-QFIPXVFZSA-N 352.453 3.717 0 1 FHAF COc1cc(C2=Cc3ccccc3C3=NCCCN23)cc(OC)c1OC 13555236 VMLBRFHPYQRERG-UHFFFAOYSA-N 350.418 3.676 0 1 FHAF COc1ccc2sc(C(=O)NCCCCC(=O)O)c(OC(C)C)c2c1 13603764 MIZMZEKNLCQHCI-UHFFFAOYSA-N 365.451 3.682 0 1 FHAF COc1cc2c(C)[nH]c(=O)c(Cc3cnc4ccccc4c3)c2cc1OC 169703366 JOUWTJUNTDKBBC-UHFFFAOYSA-N 360.413 3.993 0 1 FHAF O=S(=O)(c1cccc2cccnc12)N1CC=C(c2ccccc2)CC1 2465229 KOGYTNYPHNTUBW-UHFFFAOYSA-N 350.443 3.713 0 1 FHAF CC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2466682 ZEGFHYHEFJVNMT-SFTDATJTSA-N 362.473 3.686 0 1 FHAF CCOC(=O)c1cnc2ccc(OCC)cc2c1NCCN(CC)CC 4562985 VGLCXOLJLKCSDE-UHFFFAOYSA-N 359.470 3.564 0 1 FHAF CS(=O)(=O)c1cnc2c(c1)CC[C@H](c1ccc(Cl)c(Cl)c1)O2 6019582 PLUZLNCQMIQXML-CQSZACIVSA-N 358.246 3.858 0 1 FHAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccc(Br)s1 28464184 NIMTZKSGBLZWFL-LYRGGWFBSA-N 366.280 3.559 0 1 FHAF O=C(O)C[C@H]1C[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)c(F)c1 28648134 ZWPCJINLOLYZBQ-NVXWUHKLSA-N 370.424 3.779 0 1 FHAF C[C@@H](Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccc(Cl)cc1 40414397 PSEXTHONOJODRR-NVXWUHKLSA-N 358.869 3.893 0 1 FHAF Cn1c(CN2C[C@@H]3C(COc4cc(F)ccc4F)[C@@H]3C2)nc2ccccc21 40916690 HIZJQKRTPMIKGW-XYPWUTKMSA-N 369.415 3.608 0 1 FHAF c1ccc2sc(Oc3ccc(OCCN4CCOCC4)cc3)nc2c1 40919289 XHNDRMFJEUDOIJ-UHFFFAOYSA-N 356.447 3.800 0 1 FHAF COc1ccc(/C=C2\CO[C@@H](c3cc(OC)cc(OC)c3)[C@H]2C(=O)O)cc1 49070776 SUVKPLCUUSSDHW-ASWVGASOSA-N 370.401 3.568 0 1 FHAF C/C=C\C(=O)N1CCN(c2nccc(-c3ccc(C(C)(C)C)cc3)n2)CC1 64245695 VSZQBJFVAVSVMK-WAYWQWQTSA-N 364.493 3.666 0 1 FHAF CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(C(F)(F)F)nc1 84655091 FWZLJNGQOYKVDM-INIZCTEOSA-N 364.367 3.590 0 1 FHAF COCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccncc2)s1 95563299 MYTCZISHASLIHD-UHFFFAOYSA-N 374.853 3.547 0 1 FHAF COc1ccc([C@]2(c3cccc(-c4cccnc4)c3)C[C@H](OC)C(N)=N2)cc1 96906040 XBWQSEBJKSPBBV-GMAHTHKFSA-N 373.456 3.777 0 1 FHAF CCCn1c(NC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)nc2ccccc21 100492525 IKQXQSPZBBKREC-LDSOLPTJSA-N 353.466 3.716 0 1 FHAF CCOC(=O)[C@]12C[C@]1(Cc1ccccc1)c1cc(Cl)ccc1NC2=O 101052109 TWBYZAQKOBNUBW-WOJBJXKFSA-N 355.821 3.726 0 1 FHAF COC(=O)[C@H](C)C1=C([C@@]2(C)CCCC(C)(C)C2)CC[C@H]2C(=O)O[C@@H](O)[C@@H]12 136458853 SDGGWXWGWPCOKT-ZEFAKGJLSA-N 364.482 3.600 0 1 FHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCCC2)cn1 143128290 RPFYRYJYWKHVAR-UHFFFAOYSA-N 363.417 3.860 0 1 FHAF CSc1nn(-c2ccccc2)c2cc([C@H](O)C3CCNCC3)ccc12 165939146 LNQJNRYWEQLFND-LJQANCHMSA-N 353.491 3.780 0 1 FHAF COc1cc(O)c(/C=C\C(C)(C)O)c2c1C(=O)C[C@H](c1ccccc1)O2 198885246 YSYPNKZOQYHUSV-DOOKAGJSSA-N 354.402 3.891 0 1 FHAF CC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12CCNc1ccccc12 200379811 COOSTJOIJYTLGF-SFHVURJKSA-N 359.401 3.890 0 1 FHAF COc1cc(C(C)=O)ccc1O/C=C/c1ccc(OC(C)=O)c(OC)c1 238741540 ZLCSJOPDZMBUBJ-MDZDMXLPSA-N 356.374 3.881 0 1 FHAF CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@H](N)CC(C)C 254134738 YICPFUCSYSAEOE-RQGSJKACSA-N 358.526 3.597 0 1 FHAF O=S(=O)(O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586895404 ZMBBLXUUUBHZBA-UHFFFAOYSA-N 368.499 3.855 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC)cc(OC)c2[nH]1 586918678 ZQDPLIRDNDDLKR-YCRPNKLZSA-N 366.417 3.797 0 1 FHAF NC(=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587017286 ISTOPVHROQSMAL-UHFFFAOYSA-N 355.810 3.501 0 1 FHAF C[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)n1cc(Cl)cn1 587078885 CMXRKWNIIMBIDX-YFKPBYRVSA-N 361.030 3.833 0 1 FHAF Fc1ccc(-c2cnn(Cc3nc4cc(Br)ncc4[nH]3)c2)cc1 587164993 HRXWDCNQPBJKRB-UHFFFAOYSA-N 372.201 3.771 0 1 FHAF CC(=O)NC1(c2nc3c(C)c(Br)cnc3[nH]2)CCC(C)CC1 587233710 ARCGMMUADBJAJA-UHFFFAOYSA-N 365.275 3.570 0 1 FHAF Cn1cncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345153 YOYRZTSSNAUESX-AZUAARDMSA-N 352.365 3.539 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1nc(C)cc(Cl)n1)O2 587380677 WYZILOKILATKPV-MRXNPFEDSA-N 368.824 3.826 0 1 FHAF COc1cccc(-n2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 587390846 JMXNLJXCJNRVST-NRFANRHFSA-N 363.417 3.652 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C)CN(Cc3ccccc3)C1)O2 587396902 WVIIASLRYOMNHH-OPAMFIHVSA-N 350.462 3.823 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccccn1)(c1ccccc1OC)[C@@H](C2)C3=O 587437254 YUROSCKJKODKIX-GAJHUEQPSA-N 373.408 3.790 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccncc1)CC2=O 587490212 PGYNJMHJXQELIW-OAQYLSRUSA-N 369.417 3.554 0 1 FHAF COC(=O)c1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C 587512872 PGCCMVLVZDNVOG-NRFANRHFSA-N 353.418 3.571 0 1 FHAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(=O)O)c1 587524998 OJVZCGICTUQKOH-LJQANCHMSA-N 352.386 3.979 0 1 FHAF Cc1nc(O)nc(S)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587530828 FDHKPSNZWFTWFB-LJQANCHMSA-N 356.447 3.539 0 1 FHAF O=C1C[C@@H]([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CO1 587536760 WGODZRLUKMIZAF-UZUQRXQVSA-N 362.425 3.989 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(CC(F)F)c1 587557762 SULBGIRINCNKMX-LPHOPBHVSA-N 372.327 3.557 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1ccncc12 587589192 WCSLKSDCIGTFBA-KNQAVFIVSA-N 359.381 3.981 0 1 FHAF COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2cc(Cl)c(F)cc12 587631622 QZSNSNFIFCHTGW-UHFFFAOYSA-N 370.808 3.814 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(N)c2)N1 587713031 BADVTJZEVUAHBY-BCTVWOGZSA-N 353.210 3.933 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3nccnc23)N1 587797659 ROBQWHIHMXABSX-PSLIRLAXSA-N 373.229 3.550 0 1 FHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(CC3(CCCC3)Oc3ccccc32)N1 962901865 UGKQMCBRHQOGPD-PGRDOPGGSA-N 367.420 3.764 0 1 FHAF Cc1cc(NC(=O)Cn2cc(-c3ccccc3)nn2)n(C2CCCCC2)n1 1857559915 KQASIPQPLDSXIN-UHFFFAOYSA-N 364.453 3.594 0 1 FHAF COc1ccc(-c2cccc3c2nc2n3C[C@@]3(CN4CCC3CC4)O2)cc1 1857755038 LJYIHDSSKZSGKS-JOCHJYFZSA-N 361.445 3.569 0 1 FHAF CCCCCC(=O)CCC=CC=CC=C[C@@H](O)[C@H](O)CCCC(=O)O 2356284511 FPRPRBFSKMFXRV-RTBURBONSA-N 352.471 3.561 0 1 FHAF COc1c(CC=C(C)C)c(O)cc(O)c1[C@H]1COc2cc(O)ccc2C1=O 2356604268 WDCACCCXVAPXGB-OAHLLOKOSA-N 370.401 3.680 0 1 FHAF COc1cc(-c2ccc3ncc(-c4ccoc4)n3n2)cc(OC)c1OC 74386211 GLRLNVVIQVCRRI-UHFFFAOYSA-N 351.362 3.682 0 3 FHAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCO 4310678 JWNYNQYZDKHBEP-IAGOWNOFSA-N 370.852 3.602 0 1 FHAF O[C@@H](c1ccc(Cl)cc1)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1 26004817 SWBGCNUQZWWMRM-ROUUACIJSA-N 363.244 3.811 0 1 FHAF O[C@]1(c2ccc(-c3nc4ccccc4s3)cc2)CN2CCCC[C@H]2CO1 100059781 ZTONOAATDZXAON-LAUBAEHRSA-N 366.486 3.993 0 1 FHAF in-vitro CC(C)[C@@H]1CC[C@H]2[C@H]3CC[C@]45[C@@H](O)CC[C@H]4[C@@]2(CCCC(=O)O)[C@H]1N5C3 2356572759 NBPLSEUAFUURJP-ZQCUCNCGSA-N 361.526 3.527 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@@H]3CC[C@H]12 34801430 YJVVSONFMRLWTH-HTKHRXMQSA-N 359.510 3.926 0 1 FHAF Nc1cnc(-c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)cn1 224710879 FSDLPNDBBXJIDR-UHFFFAOYSA-N 358.380 3.571 0 1 FHAF NC1(c2ccc(-c3nn4ccc(=O)nc4cc3-c3ccccc3)cc2)CCC1 84709013 KTGRXAXPOKGURD-UHFFFAOYSA-N 368.440 3.761 0 1 FHAF Nc1cc(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)ccn1 96175042 FCBCXLYBVJUGRO-UHFFFAOYSA-N 354.373 3.714 0 1 FHAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)cc1OC 587441548 LCWPVMBSSYSACD-QVKFZJNVSA-N 354.402 3.900 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC)c(F)cc2[nH]1 586918396 XYSATYVWPXYYSN-XCLFUZPHSA-N 354.381 3.927 0 1 FHAF COc1cc(C)c(N)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587250106 TWLIXFAZRPMKST-UHFFFAOYSA-N 357.723 3.543 0 1 FHAF C[C@@]1(c2ccc(N)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553395 APUXJNQPTMZCBQ-RXVVDRJESA-N 365.360 3.991 0 1 FHAF Cc1csc(SCc2ccc(-c3nc4ncnc(N)c4[nH]3)cc2)n1 587022272 VYPWUVYJVLAZEU-UHFFFAOYSA-N 354.464 3.659 0 1 FHAF Oc1nccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587018380 XPJOOFCHBCXFNZ-UHFFFAOYSA-N 360.402 3.501 0 1 FHAF COc1ccc(/C=C\Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c(OC)c1 587929775 PZBSLSMKVLVBJZ-ARJAWSKDSA-N 356.353 3.673 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)nc2)N1 587755457 OMQLMOGQXQLVFN-DYZYQPBXSA-N 364.262 3.673 0 1 FHAF CC(C)(C)Oc1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(N)cc1F 587136851 XLAVLJZFRABKMP-UHFFFAOYSA-N 361.348 3.966 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc4nc(C)ccc4c3[nH]1)C2 587247626 VHFAAEZONHFKHR-JOCHJYFZSA-N 358.445 3.771 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C)O2 587393372 HGXZFQBWWXYSEV-YPENRWOSSA-N 374.481 3.947 0 1 FHAF CN1C(=O)C[C@H]2CN[C@@H](c3c[nH]c4c(Cl)cccc34)c3cccc1c32 963025546 ONARVSYXOICPSN-JEOXALJRSA-N 351.837 3.964 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(-c2cccs2)nn1C 963636344 QEIHOTVDBTUPTG-ODXCJYRJSA-N 369.490 3.789 0 1 FHAF CC[C@@H](C)[C@@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cccc(F)c21 962923564 RFCSVEQMQKTCIX-JRQSSSKMSA-N 357.425 3.723 0 1 FHAF 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)CC[C@]12O 5535118 XZTUSOXSLKTKJQ-MVZFSSRHSA-N 374.521 3.604 0 1 FHAF Cn1c(-c2ccc(O)cc2)cc2c(N3CCCC3)nc(N3CCCC3)nc21 13651942 LMMVALFLUHXSME-UHFFFAOYSA-N 363.465 3.541 0 1 FHAF O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12 13672081 VPJSDBCWKVHQQA-UHFFFAOYSA-N 363.396 3.527 0 1 FHAF CCNC(=O)Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12 13674795 MEQVZIVHTTYRNS-UHFFFAOYSA-N 358.405 3.828 0 1 FHAF C[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948240 QSPZQXQPHWUNPV-UVIMBBFXSA-N 362.395 3.633 0 1 FHAF Cc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)C(=O)N3C)cc1 1857564881 NZOBOBNNIMOUNN-UHFFFAOYSA-N 352.415 3.539 0 1 FHAF C(=C/c1cc2cc(C3=NCCN3)ccc2s1)\c1ccc(C2=NCCN2)cc1 6535147 JYUMQXUGMMDJIM-XVNBXDOJSA-N 372.497 3.771 0 1 FHAF Oc1ccccc1N1CCN(CC[C@@H](O)c2ccc3ccccc3c2)CC1 13861800 LKSRGMMIWINIRJ-JOCHJYFZSA-N 362.473 3.791 0 1 FHAF C/C(=C\CCC1=C[C@@H](O)OC1=O)C[C@H](O)C[C@H](C)CCCc1ccoc1 15222764 BJFBZKHHDKIUIC-GMZFBRLKSA-N 362.466 3.908 0 1 FHAF O=C(N[C@H]1CCN(CCc2cccc(F)c2)C1)C12CC3CC(CC(C3)C1)C2 26498030 MLEAHYSIISPZEO-FCSDKFEESA-N 370.512 3.775 0 1 FHAF COC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)OC)c[nH]c1=S 28334077 GKGBSAVFXGVREQ-LBPRGKRZSA-N 361.250 3.875 0 1 FHAF C[C@]1(c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)C[C@H]1CC(=O)O 28648298 QWFBDKQUFNWYSN-VGOFRKELSA-N 366.461 3.814 0 1 FHAF C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1 40898672 NZKUMDPOFJTNBC-DZGCQCFKSA-N 373.888 3.583 0 1 FHAF O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccncc1 66128898 UITBQJQWPZYMLL-HXUWFJFHSA-N 350.805 3.584 0 1 FHAF COc1cccc(-c2csc(NCC(=O)NCc3ccccc3)n2)c1 82192108 XWXZFCNKIZNZOW-UHFFFAOYSA-N 353.447 3.547 0 1 FHAF CCN(c1ccc([C@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 84670791 MGGHOCNLYXUIGU-INIZCTEOSA-N 373.396 3.672 0 1 FHAF c1cc(OCC[C@H]2CCCCN2)c2nc(-c3nnc4ccccn34)ccc2c1 96174960 DIIUODQRBMKWMI-QGZVFWFLSA-N 373.460 3.856 0 1 FHAF CCNC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1 96282832 SHWAYLFZFJFUFD-UHFFFAOYSA-N 353.209 3.782 0 1 FHAF O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1ccccc1C2)c1ccc(Cl)cc1 102002616 SFQFCLCHGLZBPQ-MNZLEMJZSA-N 361.894 3.812 0 1 FHAF O=C1CCC/C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@H]2/C=C\[C@@H](CCc2ccccc2)O1 169290105 RIBUBQDYGJHEOM-DJRFPWENSA-N 370.489 3.575 0 1 FHAF O=c1c2cn[nH]c2c2ccc(-c3ccncc3)cc2n1C[C@H]1CC1(F)F 205505474 BFOBPTGJRCVESL-CYBMUJFWSA-N 352.344 3.595 0 1 FHAF COC(=O)Nc1nc2cc([S@@](=O)c3c(C)[nH]c4ccccc34)ccc2[nH]1 299822167 HKBDQAVUOCHXBT-AREMUKBSSA-N 368.418 3.698 0 1 FHAF COc1cc(N2CC[C@@H](c3cccc(F)c3)C2=O)ccc1-c1cn[nH]c1 584629652 KXGHXYFGWYUQQX-SFHVURJKSA-N 351.381 3.745 0 1 FHAF COC(=O)c1ccc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2c1 586915288 CDMVARJFKOISKO-BTYIYWSLSA-N 364.401 3.566 0 1 FHAF N[C@H](Cc1cccc(Br)c1)c1nc2c(Cl)ccnc2[nH]1 586983855 KCKIIMHSCZRPGC-LLVKDONJSA-N 351.635 3.616 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587070449 OUXYRXSDPYNOMZ-OAHLLOKOSA-N 371.868 3.607 0 1 FHAF CC(C)[C@@H](c1nc2cc(N)c(N)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587197774 NSGCESHRUZTQLX-SFHVURJKSA-N 367.453 3.693 0 1 FHAF NC(=O)Nc1cccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587242171 OIWKTGGGKOMOJN-UHFFFAOYSA-N 358.405 3.552 0 1 FHAF COC(=O)[C@H](C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350444 KIWPXVIPYFCBGL-CECALHEMSA-N 372.392 3.848 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)C(C)C)O2 587387212 OPSKPRBJMLNICS-WMLDXEAASA-N 362.470 3.708 0 1 FHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)C(C)C 587399215 JVECNFJEEVKBPK-SFHVURJKSA-N 369.417 3.854 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(O)cc1Br)[C@@H](C2)C3=O 587414906 YKYCVVNXUURLKT-SJCJKPOMSA-N 361.191 3.652 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(Br)cn1)[C@@H](C2)C3=O 587419096 SFKBKOAGYRWYQW-APPDUMDISA-N 360.207 3.650 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(F)cc1)[C@@H](C2)C3=O 587429988 YHAWRCZYWKVYCS-VBKZILBWSA-N 350.349 3.713 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(O)c1 587554020 CKSFQVGKHGJCFB-FXAWDEMLSA-N 352.317 3.940 0 1 FHAF C[C@]1(c2ccc(N)c(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576123 FZQVSKLZILKLHN-GHTZIAJQSA-N 363.369 3.557 0 1 FHAF Cc1ncsc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662079 UHXFNXNESASECR-UHFFFAOYSA-N 365.389 3.656 0 1 FHAF CC(C)n1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587757162 GALYBMMHGVHIIW-MGPLVRAMSA-N 352.251 3.989 0 1 FHAF Cc1cc(Br)cc2nc(CC(=O)OCc3ccccc3)[nH]c12 587782684 WRHFKYFJROCEAA-UHFFFAOYSA-N 359.223 3.920 0 1 FHAF CCN(c1ccc(-c2csc(-c3cccnc3)n2)cc1)S(C)(=O)=O 587922527 DGPQOQLEKQYULC-UHFFFAOYSA-N 359.476 3.658 0 1 FHAF COc1cc2c(cc1OC)[C@@H](c1ccc3ncn(C)c3c1)N(C)[C@H](C)C2 962625790 FUWASBUHRNBFAW-LRTDBIEQSA-N 351.450 3.556 0 1 FHAF CCOC(=O)[C@@H]1COC(C)(C)[C@]12NCCc1cccc(-c3ccccc3)c12 962670184 VFNIAHFBNQXTRP-CVDCTZTESA-N 365.473 3.683 0 1 FHAF CCC[C@@H](C[C@@H]1NCCc2c1c(C(C)C)nn2C)NC(=O)OC(C)(C)C 962915046 SZFAUGOCQZEXBK-GJZGRUSLSA-N 364.534 3.814 0 1 FHAF Cc1c(O)ccc2c1[C@@](C)(c1ccc(Cl)c(Cl)c1)N[C@H](C(=O)O)C2 963465250 AMOOBBGACQYDHT-KBXCAEBGSA-N 366.244 3.870 0 1 FHAF CCCn1c(SCc2ccc(C(C)C)cc2)nc2c1c(O)nc(=O)n2C 1857583697 SNIXSLOBMNXQLC-UHFFFAOYSA-N 372.494 3.661 0 1 FHAF O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(O)cc(F)c2)CC1 1857620251 OQTFRVYWXATAHR-UHFFFAOYSA-N 361.800 3.920 0 1 FHAF Cc1cc(C)c2cc(C(=O)NC3CN(c4cccc(Cl)n4)C3)ccc2n1 1857643558 JVZWFRRJDIPIDX-UHFFFAOYSA-N 366.852 3.519 0 1 FHAF Cc1cccc([C@H]2CC[C@@H](N3CCN(Cc4ccc(O)nc4)CC3)CC2)c1 2382218929 GNTPANYIJLPNBS-GRGXKFILSA-N 365.521 3.940 0 1 FHAF Cc1ccccc1C[C@]1(CO)CCCN(C(=O)c2ccccc2N(C)C)C1 12448982 MMHPAUQYRGGMME-HSZRJFAPSA-N 366.505 3.518 0 3 FHAF COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc1ccc(-c2ccccc2)cc1 13660941 WTXUTKYEZVYCHY-MBDNFAEBSA-N 365.473 3.631 0 3 FHAF O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1 169341617 MVRCSOVXGPLTGN-KRWDZBQOSA-N 353.372 3.958 0 3 FHAF CCCN1CCCC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O 199262005 FZLCLGWWPQGRGK-HXUWFJFHSA-N 350.462 3.875 0 3 FHAF COc1ccc(-c2nc3cc(C)ccn3c2NC[C@@H]2CCCO2)cc1OC 883861 DBDZASWEWQLYTL-INIZCTEOSA-N 367.449 3.918 0 3 FHAF O=C(O)[C@@H]1C[C@@H](C2=CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 1487655 HHTLVPAQTPCANE-AEFFLSMTSA-N 368.820 3.666 0 1 FHAF COc1ccc2nc(C[C@@H]3CN(CC(C)(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 2356319297 UJTQJCSAEUAEQI-LSDHHAIUSA-N 373.497 3.573 0 1 FHAF O=C(O)C[C@H]1C[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1 28648098 DPFLAGDMGNKRSD-APWZRJJASA-N 352.434 3.639 0 1 FHAF C[C@H](CO)[C@@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 28476517 GBDKABQMLPYTIM-HWPZZCPQSA-N 360.809 3.762 0 1 FHAF CC(C)=CCCC(C)=C[C@@H]1C[C@H](C[C@@H]2C(=O)[C@H](O)CC[C@@H]2O)[C@](C)(O)C1 2356534357 ARWRGDYUCCALTP-DOEDBZELSA-N 364.526 3.547 0 1 FHAF CCNC(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72102982 PTDDBUURIQKJBG-IBGZPJMESA-N 372.900 3.608 0 1 FHAF C/C(=C\COc1c2occc2cc2ccc(=O)oc12)C[C@@H]1C=CC(=O)O1 33831895 LJOQBYPPAKFCAK-MFMIUCCHSA-N 352.342 3.736 0 1 FHAF COc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc(Cl)c2)cc1 40422557 XSQNZUXNBTZEKA-QGZVFWFLSA-N 363.885 3.699 0 1 FHAF CCC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 40897949 MDAUINVHTWWWPZ-LLVKDONJSA-N 354.458 3.721 0 1 FHAF COCCn1c(-c2cccs2)nc2c(NCc3ccccc3)ncnc21 82178524 QFCSUXOTMGQOLA-UHFFFAOYSA-N 365.462 3.813 0 1 FHAF Cc1cccc(NC(=O)C(Br)(C(F)(F)F)C(F)(F)F)n1 68574000 JFBILJBBDFCODR-UHFFFAOYSA-N 365.071 3.587 0 1 FHAF biogenic CCN1C(=O)C[C@@H](c2nc3cc(F)cnc3[nH]2)[C@@H]1c1ccccc1Cl 587062610 YINRMPAREGNAGK-WBMJQRKESA-N 358.804 3.828 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(F)(F)F)nc1)O2 587381176 GYDMDPBBOJBUMZ-CQSZACIVSA-N 352.312 3.620 0 1 FHAF Nc1ncc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550738 BQQXCDMNJWDXPA-MAUKXSAKSA-N 368.776 3.726 0 1 FHAF COc1cc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2cn1 587044917 WLOVIDPYAIUFJG-UHFFFAOYSA-N 354.193 3.958 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCN(C)C2)N1 587762632 UJEDVJPNEUKUTJ-NDGTYSDOSA-N 355.295 3.679 0 1 FHAF CCc1ccc2[nH]c(-c3ccc(S(=O)(=O)N[C@H](C)CC)cc3)nc2c1 586937492 FOLGNOVPQYFXDX-CYBMUJFWSA-N 357.479 3.869 0 1 FHAF COc1cccc(C[C@H]2C[C@H]3Cc4c(cccc4OC)C[C@@H]3N(C)C2)c1 584905620 QZUPQRHYHMMHGC-JLMWRMLUSA-N 351.490 3.982 0 1 FHAF in-vitro CC1=C(c2ccc3nc(-c4cccc5c4OCC5(C)C)[nH]c3c2)NNC(=O)C1 586910955 DIYKGCAXJHRIPF-UHFFFAOYSA-N 374.444 3.655 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nccnc1Cl 587553766 VSVNVAUSBZFPIY-GUYCJALGSA-N 354.749 3.539 0 1 FHAF Cc1nc2[nH]c(-c3csc4c3CCOC4)nc2cc1Br 587032353 UGEOOINEQSJXLZ-UHFFFAOYSA-N 350.241 3.830 0 1 FHAF Oc1ncnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 587039936 GZGJYLCUDVDEFE-UHFFFAOYSA-N 361.430 3.904 0 1 FHAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1 586882455 UGHHGOUEZBXGTG-YVMONPNESA-N 359.179 3.796 0 1 FHAF CC[C@]1([C@@H](C)CN(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587740877 LGOLIBOSRMUZCA-NVGCLXPQSA-N 357.311 3.925 0 1 FHAF COc1cc2c3c(c1)O[C@@H](CCc1cncc(Br)c1)[C@@H](C2)C3=O 587419781 ZNRWPWIDFXPQLR-CABCVRRESA-N 374.234 3.602 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2c1 586907015 ISQLFDNKMSGHQG-VIFPVBQESA-N 358.781 3.584 0 1 FHAF COc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1C 586983862 KHKZEJQZQKKPMB-ZDUSSCGKSA-N 360.255 3.885 0 1 FHAF O=Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587610068 PLEUOTAHIRSFIC-LAUBAEHRSA-N 362.337 3.613 0 1 FHAF CCOC(=O)[C@H](C1CCCC1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441412 KGYIYCZWLGYJLM-FYINFDKHSA-N 358.434 3.571 0 1 FHAF Cc1c(Br)cnc2[nH]c(C[C@H]3CCc4occc4C3=O)nc12 586907512 MHBLAGFBQZDNKU-SECBINFHSA-N 360.211 3.610 0 1 FHAF COC(=O)Nc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cn1 587244219 BMUIRXNFXYMGER-UHFFFAOYSA-N 352.272 3.702 0 1 FHAF CCCC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590512 CKWRSEWLMRBVFG-GHTZIAJQSA-N 370.401 3.846 0 1 FHAF CN1C(=O)C[C@H]2CN[C@@](Cc3ccccc3)(c3cccnc3)c3cccc1c32 963035630 SHWSMRGPOPSQRG-UUOWRZLLSA-N 369.468 3.621 0 1 FHAF COc1ccc2c(c1OC)[C@H](c1c(OC)ccc(F)c1F)N(C)[C@H](C)C2 962565544 HTHQNRMVTREJQO-NSPYISDASA-N 363.404 3.956 0 1 FHAF CC(C)=CC[C@H]1C(=O)c2ccccc2[C@@]2(NCCc3c(C)ccnc32)C1=O 963071512 JJMHCFKUBLICIG-MBSDFSHPSA-N 360.457 3.517 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)cc3)ncc12 1772588060 NWODFDQSMRWXQH-SNVBAGLBSA-N 358.833 3.926 0 1 FHAF CS(=O)(=O)c1nc2cc(OCc3ccc(Cl)cc3)ccc2s1 1772605645 ULRNBLDRWSWOQS-UHFFFAOYSA-N 353.852 3.932 0 1 FHAF COc1cncc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c1 169254942 GTKGWJKBBJXNPG-UHFFFAOYSA-N 374.448 3.901 0 1 FHAF CCOC(=O)C1=C(c2cccc(F)c2)N=C(C)[C@H](C(=O)OCC)[C@H]1CC 169721222 HGIDWFZGXBJNNB-CVEARBPZSA-N 361.413 3.780 0 1 FHAF COc1ccc(-c2n[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1OC 1857541161 MMMIKGSUWQQDEZ-UHFFFAOYSA-N 370.405 3.787 0 1 FHAF COC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]1CC(C)C 1857576457 WTFDRRPGQNVNFT-INIZCTEOSA-N 356.466 3.920 0 1 FHAF O=C(Nc1ccc(F)cc1)c1cccc(NS(=O)(=O)C2CCCC2)c1 1857748840 PBKLJLZMCYNCOP-UHFFFAOYSA-N 362.426 3.762 0 1 FHAF CC1(C)CCc2c(O)cc3c(c2O1)[C@H]1Oc2cc4c(cc2[C@H]1CO3)OCO4 13378612 BNJPLSYAABGQMS-BLVKFPJESA-N 368.385 3.834 0 1 FHAF biogenic CC(C)=CC[C@](C)(O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O 27893474 MAHJYISXLQEIJP-JPLKOTGRSA-N 354.531 3.749 0 1 FHAF COc1c(OC)c(OC(=O)C(C)C)c2ccccc2c1OC(=O)C(C)C 29317155 ORTAHIQGDCXAIM-UHFFFAOYSA-N 360.406 3.980 0 1 FHAF COc1cccc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)c1 40423655 RREMYBUOZONATG-UHFFFAOYSA-N 360.373 3.871 0 1 FHAF CCCOc1ccc(CN2C(=O)[C@@H](C)[C@@]2(Cc2ccccc2)C(=O)O)cc1 72118367 LEVNFXGWXQMAAN-ZHRRBRCNSA-N 367.445 3.520 0 1 FHAF O=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)O)c1 73280819 YOAWWJYNFIIHJK-UHFFFAOYSA-N 373.372 3.967 0 1 FHAF COCCn1c(CC(C)C)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185095 NCTBXVXNAFYJOO-UHFFFAOYSA-N 373.888 3.937 0 1 FHAF O=c1cc(-c2cccc(OCc3ccccc3)c2)oc(N2CCOCC2)c1 101078672 NQVXBNYJXVKZBA-UHFFFAOYSA-N 363.413 3.722 0 1 FHAF O=C(NCC1CCCC1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167132122 SVDGPMUHRMNVGE-UHFFFAOYSA-N 364.449 3.549 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(O)c3)cc2)C[C@@H]2CC[C@@H]1N2C 169311828 TTXGYEDMFZIQNY-FYZZASKESA-N 351.446 3.799 0 1 FHAF NC(=O)c1nc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2s1 206013082 HVTAVZVSCBHBPP-UHFFFAOYSA-N 373.800 3.875 0 1 FHAF Cc1nc(C(C)(C)NC(=O)c2cccc(-c3ccc(Cl)c(F)c3)n2)no1 206688094 CXHQPLRBPXFHEG-UHFFFAOYSA-N 374.803 3.898 0 1 FHAF COc1ccc(/C=C/C(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC1CCCC1 299829613 KOPUSUFGPWIJPG-YZRPTBRLSA-N 359.466 3.666 0 1 FHAF CCOC(=O)c1sc2ccc(N)cc2c1NC(=O)c1ccc(OC)cc1 299869820 VJWGMVXADKAYPL-UHFFFAOYSA-N 370.430 3.921 0 1 FHAF CCS(=O)(=O)c1ccccc1-c1nc2ccc3nc(C)ccc3c2[nH]1 586921491 AYDWYUVXDSLCSB-UHFFFAOYSA-N 351.431 3.880 0 1 FHAF COc1cncc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c12 587020016 BXKWTYHVOXRUDP-UHFFFAOYSA-N 352.419 3.977 0 1 FHAF CCN1C(=O)C[C@@H](c2nc3cncc(OC)c3[nH]2)[C@@H]1c1ccccc1Cl 587060634 BLPDSIFQTVVIOA-XIKOKIGWSA-N 370.840 3.697 0 1 FHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587071207 XJVMBOGDOHOSFU-JTQLQIEISA-N 354.763 3.915 0 1 FHAF CCC(=O)[C@H](C(=O)OC)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587106217 JMNCUBSEIZKQSI-FQEVSTJZSA-N 373.408 3.990 0 1 FHAF FC(F)(F)c1nc2ccncc2cc1-c1nc2c(Cl)ncnc2[nH]1 587115788 AVDHWJITBIOGAV-UHFFFAOYSA-N 350.691 3.635 0 1 FHAF CCc1ccccc1NC(=O)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427004 BXVVLYZSMYMGIV-ZHRRBRCNSA-N 365.429 3.793 0 1 FHAF COC[C@@]1(CCCCC2OCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536806 WSYPERKTPNEZKX-JOCHJYFZSA-N 374.477 3.849 0 1 FHAF Cn1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C(F)F 587554419 IBKRVZXPUUPIGA-KSSFIOAISA-N 372.327 3.766 0 1 FHAF Nc1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570939 MUDSNZGIGVQFFS-FXAWDEMLSA-N 351.333 3.816 0 1 FHAF Cc1nc(-n2ncc3ccc(Cl)cc3c2=O)c2c3c(sc2n1)CCC3 587654613 WANSFJAMLIONAG-UHFFFAOYSA-N 368.849 3.841 0 1 FHAF CC(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587704691 JKKAFNPCTKMBKZ-UHLUBPPHSA-N 368.168 3.859 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)cn2)N1 587707444 VSXHANOHDWUCMD-UOWDBTKRSA-N 356.626 3.655 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cncn23)N1 587774722 XBPXJSVNBBOKND-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF CC(=O)OC[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587790127 FMXLTZRIPFTABN-BMLIUANNSA-N 372.278 3.927 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2N[C@@H]2c2ccccc2)N1 587790706 HRBABUTWTXTMJP-TUYIQCLLSA-N 361.258 3.877 0 1 FHAF COC(=O)[C@H](C)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587805159 GZPZPHXOGPFQBF-LYGAQUJYSA-N 358.251 3.537 0 1 FHAF COC(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810228 UFLHLNXIXDNYKB-DYZYQPBXSA-N 372.278 3.927 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2cccc(O)c2)N1 587831399 HDZKIUGCPHGVTQ-JDNHERCYSA-N 364.214 3.752 0 1 FHAF Cc1ccc2nn(-c3ccc(OCCCC(C)(C)C(=O)O)cc3)nc2c1 653755598 FILQLEUGSSDIFU-UHFFFAOYSA-N 353.422 3.999 0 1 FHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc3ccccc3[nH]2)N1 962961493 SADBQGXKVXJKGA-PBHICJAKSA-N 362.763 3.788 0 1 FHAF COc1ccc(Cl)c2c1CCN[C@H]2c1cccc(Br)n1 963260535 XVVKMNPCRWXOPI-HNNXBMFYSA-N 353.647 3.741 0 1 FHAF CC(=O)c1cc2c(nc1C)sc1c(=O)n(-c3ccccc3Cl)nnc12 1772589888 YNKCQGBBOYJNAV-UHFFFAOYSA-N 370.821 3.555 0 1 FHAF CC(C)=Cc1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1 1772590861 WVOATLASLUXFNF-JTQLQIEISA-N 367.280 3.790 0 1 FHAF Cc1cc(N[C@H]2CCc3cc(F)ccc3C2)n2nc(C(C)(F)F)nc2n1 2382221921 CVWRIJKCARXPJK-AWEZNQCLSA-N 361.371 3.653 0 1 FHAF CC[C@@](C)(NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1 12472552 QBLQEHPETAHYER-LLVKDONJSA-N 360.690 3.533 0 3 FHAF CCCNC(=O)[C@]1(C)CCCN(Cc2csc(-c3ccccc3)n2)C1 61906880 WNXXKESYDWBFSV-HXUWFJFHSA-N 357.523 3.938 0 3 FHAF COc1cccc(CNC(=O)c2c(-c3ccccc3F)noc2C)c1OC 775166 DAXPGSNUSABARF-UHFFFAOYSA-N 370.380 3.736 0 1 FHAF O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccncc1)CC2 3955809 WNQVJOXDWAOWHB-UHFFFAOYSA-N 353.441 3.744 0 1 FHAF Cc1c(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc2n1C 13447812 YJRJNBLRNPBJDL-UHFFFAOYSA-N 369.424 3.546 0 1 FHAF COc1cc2[nH]c3c(c2cc1OC)CCN(C)[C@H]3Cc1ccc(O)cc1 14687703 YQWJJRCGIHXGJU-SFHVURJKSA-N 352.434 3.662 0 1 FHAF biogenic Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1CCC1 27880850 ZOOCDCMOGMAXPN-UHFFFAOYSA-N 374.423 3.925 0 1 FHAF C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 40952280 ONEBFVOLCNKTSV-VQIMIIECSA-N 372.896 3.888 0 1 FHAF COc1ccc(OC)c(-c2cc(=O)c3c(OC)c(OC)cc(OC)c3o2)c1 40973638 CQPMEFLLFKGIJL-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF biogenic,in-vitro CN(C)Cc1nc2c(sc3ccc(-c4cccc(O)c4)cc32)c(=O)[nH]1 45319509 WYEFEPXWDJQFFI-UHFFFAOYSA-N 351.431 3.572 0 1 FHAF O=C1C(=O)N(CCCNc2ccnc3cc(Cl)ccc23)c2ccccc21 64516728 BKVMANBSWKIWAK-UHFFFAOYSA-N 365.820 3.920 0 1 FHAF COc1cc2c(cc1OC)[C@@H](Cc1cc(=O)oc3cc(C)ccc13)NCC2 64553212 UYKWGHYFHRWDNE-GOSISDBHSA-N 365.429 3.548 0 1 FHAF CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCc2ccccc21 84669450 WJPODXNCZRPNIO-SFTDATJTSA-N 363.457 3.623 0 1 FHAF O=C(C1CC1)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO 95877403 XBCCLMQJAKAFTB-YYWHXJBOSA-N 366.436 3.579 0 1 FHAF Fc1cccc(NCn2nc(-c3ccc4c(c3)OCCO4)oc2=S)c1 96933706 NKTYOQLOZWGMSB-UHFFFAOYSA-N 359.382 3.852 0 1 FHAF CCOc1cc(Cl)c(CS(=O)(=O)C2=NOC(C)(C)C2)cc1Cl 98085326 ACDZDIIWZVQMIX-UHFFFAOYSA-N 366.266 3.819 0 1 FHAF CC[C@@H]1C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@@H](C(C)C)C(=O)N1 100086893 CQYQOVCXZAQFHL-JFDOBCTDSA-N 372.509 3.795 0 1 FHAF CCOC(=O)c1c2n(c3c(SCc4ccccc4)ncnc13)CCC2 103233023 PRJKKJDZKJVGAM-UHFFFAOYSA-N 353.447 3.847 0 1 FHAF Cc1cccc(C#CC=C2CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)n1 141633581 YUJYDHJYCTZBKX-UHFFFAOYSA-N 366.411 3.811 0 1 FHAF Cc1cc(O)ccc1NC(=O)c1cc(N(C)C2CCC(C)CC2)ncn1 143891107 GXCITMVJYVEOLA-UHFFFAOYSA-N 354.454 3.758 0 1 FHAF Cc1ccc(CN2C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCO)cc1 169333629 NPSWLRNCZGIJHP-ODAXIHTASA-N 356.554 3.832 0 1 FHAF O=C1CCC/C=C/C[C@H]2C(=O)C[C@@H](O)[C@@H]2/C=C/[C@@H](CCc2ccccc2)O1 194868758 WWHYWVRAJPRWHZ-XMVUMXPYSA-N 368.473 3.784 0 1 FHAF NC1=N[C@](c2cccc(-c3cccnc3)c2)(C2CC2)C(=O)N1C1CCCCC1 218764724 XDWUXRTXFPUVJX-QHCPKHFHSA-N 374.488 3.844 0 1 FHAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(O)ccc2[nH]1 586999502 DEEWTCGOHRLBAD-UHFFFAOYSA-N 373.162 3.510 0 1 FHAF CC(=O)Nc1ccc(Cl)c(-c2nc3cncc(Br)c3[nH]2)c1 587048898 CCCOPRSWZUHNKZ-UHFFFAOYSA-N 365.618 3.999 0 1 FHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(Br)nc3[nH]2)cn1 587247695 QZNIQICBDMPRSS-UHFFFAOYSA-N 374.242 3.767 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCC3)nc1F)O2 587385670 FQAHJVLMSQYXFA-HXUWFJFHSA-N 355.413 3.592 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(CC(C)C)c1Cl)[C@@H](C2)C3=O 587420817 JGSYRPBAURPHFQ-SCLBCKFNSA-N 360.841 3.998 0 1 FHAF Cc1noc(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793784 KZUUKRLPRVAMLC-BCTVWOGZSA-N 353.235 3.991 0 1 FHAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587805512 GGEZLFXEOZZBNL-XYZCENFISA-N 366.230 3.926 0 1 FHAF COC(=O)[C@H](C)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587807602 MBAXJVXTQSKDOM-LYGAQUJYSA-N 358.251 3.537 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](CC(=O)O)C2)N1 587829107 QORSVCZQGLAMGK-LYGAQUJYSA-N 356.235 3.593 0 1 FHAF CCOc1ccc(O)n1-c1c(Br)cccc1-c1cnn(C)c1 587936297 RVBMSXZPLLETPO-UHFFFAOYSA-N 362.227 3.745 0 1 FHAF O=C(O)/C=C/C=C\c1nc2c(Br)ccc(Br)c2[nH]1 587965299 JLMBSAZIXOOSBC-HSFFGMMNSA-N 372.016 3.742 0 1 FHAF CC(=O)Oc1cc(O)c2c(c1)/C=C/CCC[C@H](O)CCC[C@H](C)OC2=O 653823327 YZEOCIDFBYMBCT-RAHZPIGOSA-N 362.422 3.591 0 1 FHAF Cc1c(O)ccc2c1[C@H](c1ccc3c(c1)Cc1ccccc1-3)N[C@H](C(=O)O)C2 963507665 IXFUOXZQUISNBI-REWPJTCUSA-N 371.436 3.960 0 1 FHAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356431160 DXINWPCQBUXMER-ZZSMVDNWSA-N 350.414 3.529 0 1 FHAF Cc1nc2ccccc2c2oc(C(=O)NC[C@@H]3COc4ccccc4O3)cc12 4902097 QQTLLZHRWJKKQK-CQSZACIVSA-N 374.396 3.859 0 3 FHAF CNC(=O)c1ccc2c(c1)nc(CCc1ccccn1)n2Cc1ccccc1 53243471 OYHAHODBPWOIBB-UHFFFAOYSA-N 370.456 3.624 0 1 FHAF O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@@H]1c1ccccc1 103211761 CGBVXXQCJLJGNI-HXUWFJFHSA-N 367.412 3.949 0 1 FHAF C/C(=C\Nc1nsc(Nc2ccc(Cl)cc2)n1)NCCCCO 104110967 WNBKBCJZPNTRHA-ZHACJKMWSA-N 353.879 3.570 0 1 FHAF Fc1ncccc1[C@H](Nc1nnc(-c2c[nH]c3ncccc23)o1)C1CC1 103247492 LNXSSTKGTQNUBH-CQSZACIVSA-N 350.357 3.710 0 1 FHAF COc1cc([C@H]2CN=C(c3c[nH]c4ccccc34)O2)cc(OC)c1OC 27524576 JKXNMQHEJHITOZ-GOSISDBHSA-N 352.390 3.712 0 1 FHAF CCNC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26393063 BQWMLHMOZSVPKK-UBPCEGBCSA-N 360.542 3.602 0 1 FHAF COc1ccc([C@H]2O[C@@H](COc3ccc(Cl)cc3)CN2C(C)=O)cc1 27521767 PGEMHRBKBSVUTH-RTBURBONSA-N 361.825 3.674 0 1 FHAF COc1ccc2c(c1CC=C(C)C)O[C@]1(C)c3ccc(O)cc3OC[C@@]21O 2356649122 AFVOSKFTETWUMH-FGZHOGPDSA-N 368.429 3.797 0 1 FHAF C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(Cl)c2c(=O)o1 26498773 BGQSTIUKAKOYRE-NSHDSACASA-N 358.781 3.829 0 1 FHAF O=C(CNC(=O)c1ccc2ccccc2c1)N[C@H]1CCCc2ccccc21 31483494 UBIKJGRVXIINFB-NRFANRHFSA-N 358.441 3.763 0 1 FHAF Clc1nc(Cl)c2ncn(C[C@@H]3COc4ccccc4S3)c2n1 72179357 XFAFNWBCCHEGMQ-MRVPVSSYSA-N 353.234 3.686 0 1 FHAF COC(=O)Oc1cccc(-c2cc3cc(OC(=O)OC)ccc3oc2=O)c1 40834047 JSUOGSLJCNMJRX-UHFFFAOYSA-N 370.313 3.750 0 1 FHAF CC(C)(O)c1cc(Nc2n[nH]c3ncc(F)cc23)nc(C2CCCCC2)n1 43199902 QOWGEVKZOPOWLW-UHFFFAOYSA-N 370.432 3.906 0 1 FHAF O=C(O)Cc1ccccc1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 95585039 XXBXRJDBCMCGGD-UHFFFAOYSA-N 370.401 3.953 0 1 FHAF C[C@H](CN1C(=O)CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1cccc(Cl)c1 299847629 GTOBYXNRRUPZQS-RPCCPQHDSA-N 374.868 3.813 0 1 FHAF C[S@@](=O)c1ccc(N=c2nc(-c3ccncc3)[nH]c3ccccc23)cc1 653702279 LYDXUAZFPFHHFC-AREMUKBSSA-N 360.442 3.595 0 1 FHAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCN)cc12 653737471 GXJVJVQFHPNRQD-UHFFFAOYSA-N 352.434 3.512 0 1 FHAF COC(=O)C[C@@]1(c2c(C)cc(C)cc2C)CC(=O)c2cc(C)cc(N)c2O1 587399406 KPNIZRDAHFGOJX-JOCHJYFZSA-N 367.445 3.926 0 1 FHAF CC(C)n1cncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575555 FQOPMRREVMXGAL-YLJYHZDGSA-N 350.374 3.873 0 1 FHAF CCc1ccccc1NC(=O)c1nc2c(O)c(Br)ccc2[nH]1 587241209 QTVIUKXWPUGCDJ-UHFFFAOYSA-N 360.211 3.846 0 1 FHAF Cc1c(-c2nc3c(Cl)nccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030130 YTRCGXLCYYMNLT-UHFFFAOYSA-N 357.826 3.761 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 587196005 OLFUHJFZEAACQY-ZDUSSCGKSA-N 357.479 3.574 0 1 FHAF COc1ncc(F)cc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 587175742 GPCFPCLWSXHWCX-UHFFFAOYSA-N 362.233 3.822 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(Cc3ccco3)CC1)CC2=O 587475156 MQMJLDBRVDAZTP-UHFFFAOYSA-N 355.434 3.938 0 1 FHAF Cc1cnn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587339823 FRLSVMZHGLMEKD-PZJWPPBQSA-N 366.392 3.854 0 1 FHAF O=C1C[C@]2(CCN3Cc4ccccc4N[C@@H]32)Oc2c1ccc1c2CCCC1 587521092 AEYHXQXEGLULEI-GOTSBHOMSA-N 360.457 3.927 0 1 FHAF O=C(O)c1ccc(-c2cc(-c3nc4cnncc4[nH]3)ccc2F)cc1F 587138419 HZEZCGIHKDLMOK-UHFFFAOYSA-N 352.300 3.663 0 1 FHAF CCOC(=O)[C@]1([C@H]2CCCC2=O)c2ccsc2CCN1Cc1ccco1 962709989 KSEADWUKDHLUJH-YWZLYKJASA-N 373.474 3.527 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc3cc(Cl)ccc3n1)NCC2 962924647 LCLZOKZEWLWXBV-HXUWFJFHSA-N 365.864 3.825 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCCC[C@H]1C(=O)C(C)(C)C)NCC2 962931586 OMBZEMQWALMPLN-JTSKRJEESA-N 356.510 3.535 0 1 FHAF CC(C)(C)OC(=O)N1[C@@H](C2=CCCC2)c2scnc2C[C@@H]1C(=O)O 963152092 UATZBSAVSXJQDE-OLZOCXBDSA-N 350.440 3.541 0 1 FHAF CC(C)[C@@H]1CC[C@@]2(C1)N[C@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962638846 NSBDTLGVKODTQY-PJQXDXOGSA-N 357.372 3.836 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc(OC)c1 628410 YWQBSSHDDPKVNB-CQGUWYRNSA-N 359.422 3.897 0 1 FHAF N=C(N)c1cc2[nH]c(-c3cccc(OC4CCCC4)c3O)nc2cc1F 13444367 HGCWQYNOYKMTPT-UHFFFAOYSA-N 354.385 3.680 0 1 FHAF O=C(O)c1ccn(Cc2cc(Cl)cc3cc(-c4ccccc4)nn23)n1 206933696 YFIGFCKYLLZSPI-UHFFFAOYSA-N 352.781 3.598 0 1 FHAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3nn[nH]n3)ccc12 203424022 DEEJHEPZVXORGD-UHFFFAOYSA-N 373.247 3.804 0 1 FHAF [O-][n+]1cccc2c1Nc1ccc(F)cc1[C@@]2(OCC1CC1)C(F)(F)F 591150 SQMUNJMATGMRRH-MRXNPFEDSA-N 354.303 3.749 0 1 FHAF investigational CCOC(=O)c1cnc2c(cnn2/C=C/c2ccccc2)c1N1CCCC1 13491863 HRSUARNEVMOEEP-JLHYYAGUSA-N 362.433 3.836 0 1 FHAF O=C(CCN1CCCC1)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 28902596 IEJKCZFVBCODNC-UHFFFAOYSA-N 371.440 3.871 0 1 FHAF COc1ccc2[nH]c3c(c2c1)[C@H]1CCN(C1)[C@@H]3C(=O)OCc1ccccc1 28948233 GJRDOKLPYMRLFW-BTYIYWSLSA-N 362.429 3.764 0 1 FHAF C[C@H](O)CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 39409793 IWUPUFYAMCDDIO-GNSUPJDDSA-N 372.459 3.540 0 1 FHAF Cn1nc(C2CCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccco1 39560673 LYOLGCTZKPMWLW-NSHGMRRFSA-N 368.525 3.638 0 1 FHAF biogenic CN1C[C@H](NC(=O)C(C)(C)C)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@@H]21 60027331 QXOFQMUQMXGKGQ-KFNAQCHYSA-N 359.901 3.696 0 1 FHAF in-vitro O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1 64573024 BGGSTZPBQKGLOJ-UHFFFAOYSA-N 352.444 3.996 0 1 FHAF CC(C)OC(=O)C1(N(Cc2ccco2)C(=O)c2ccccn2)CCCCC1 66122896 YJAHLHKGOOXHKT-UHFFFAOYSA-N 370.449 3.972 0 1 FHAF O=C1CCCN1CCCNc1cc(Oc2ccc3ccccc3c2)ncn1 82067508 FZUAFMPHSVIBPE-UHFFFAOYSA-N 362.433 3.847 0 1 FHAF COc1cc(C[C@H](C)[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)ccc1O 86048016 JFLQMRNVZXYTAK-RXSFTSLZSA-N 360.450 3.966 0 1 FHAF biogenic Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100632666 SAAYANRXFINIFL-KSSFIOAISA-N 366.486 3.669 0 1 FHAF Cc1c(N2CCCC(C)(C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 100918103 URJSPSRMSASQSN-UHFFFAOYSA-N 369.465 3.552 0 1 FHAF CC(C)(C)[C@H]1CC[C@H](C(=O)N2C[C@@H]3CN(c4ccccn4)C[C@@H]3C2)CC1 101695093 MRRDVINKWLHQMS-FNCFJJJESA-N 355.526 3.829 0 1 FHAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC[C@@H](O)CCCCC2 196786352 XGZFGCRWBLVDFU-HOCLYGCPSA-N 350.455 3.897 0 1 FHAF OCCc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006414 NFVKZRFQQAGTCY-UHFFFAOYSA-N 356.223 3.780 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 587042211 JVUSBSKALSMDRC-MRVPVSSYSA-N 359.282 3.885 0 1 FHAF C[C@@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)C=C(c2ccccc2F)NO1 587159136 ZVDKCHRYSCYOJY-FQEVSTJZSA-N 367.380 3.654 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3cccc(NC(=O)CC(C)(C)C)c3)nc12 587241674 FZICPLBXVYFKBF-UHFFFAOYSA-N 366.421 3.786 0 1 FHAF C[C@]1(c2ncccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332260 FSNGCRWAHNEQEE-NQIIRXRSSA-N 364.376 3.783 0 1 FHAF C[C@]1(Cc2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340422 SQPGMXPYJKDBHY-TZIWHRDSSA-N 364.376 3.682 0 1 FHAF O=C1c2ccc(O)cc2O[C@](CO)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587358643 WXDJUYHWSUHKMG-IFMALSPDSA-N 364.372 3.778 0 1 FHAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)ccc(F)c12 587504498 HLBRRAONNHQAFQ-HXUWFJFHSA-N 355.340 3.656 0 1 FHAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N1CCCc3cccc2c31 587527768 UPHHQLHBHMOXBD-HSZRJFAPSA-N 359.425 3.719 0 1 FHAF COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587567653 INVSGMFNPHGNQD-LPHOPBHVSA-N 367.332 3.638 0 1 FHAF C[C@@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571869 RVFFGOMEBWAIAL-PXNSSMCTSA-N 351.333 3.803 0 1 FHAF C[C@@]1(c2ccc(N)c(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576126 FZQVSKLZILKLHN-NQIIRXRSSA-N 363.369 3.557 0 1 FHAF CCCn1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587760016 NQKMWHKNCYMATF-QLJPJBMISA-N 352.251 3.818 0 1 FHAF CCn1ncc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587763744 LTPGFCMAJBICAT-BMLIUANNSA-N 366.278 3.911 0 1 FHAF Cc1ccn(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587766729 WVCOVULUQONKLI-MEDUHNTESA-N 352.251 3.543 0 1 FHAF CCOC(=O)Cc1ccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2c1 587952442 QVECADDITYGCIK-OOHWJJMZSA-N 374.481 3.746 0 1 FHAF C[C@]1(c2cccs2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962635062 ODIFJEZBQFRNJV-MEBBXXQBSA-N 357.353 3.509 0 1 FHAF COc1c(F)cc(F)cc1[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962727805 AYCYICMCYHOFEL-GJZGRUSLSA-N 371.305 3.709 0 1 FHAF Cc1ccnc2c1CCN[C@@H]2c1cnc(N(C)Cc2ccccc2)s1 963068396 KQDLNYVXDHUADR-LJQANCHMSA-N 350.491 3.718 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cn2cc(Cl)ccc2n1 963602652 AJDYYDXMOJOJNY-JEOXALJRSA-N 357.841 3.629 0 1 FHAF COc1c(O)cc(O)c2c(=O)cc(-c3cccc(C(F)(F)F)c3)oc12 1857561313 JDSFTTMAPFDCPA-UHFFFAOYSA-N 352.264 3.899 0 1 FHAF COc1ccc([C@@H]2CC[C@@H](Cc3ccc4c(c3)OCO4)[C@H]2CO)cc1OC 2356615169 XEJPIDQIKBBVKQ-RYQLBKOJSA-N 370.445 3.777 0 1 FHAF N=c1cc(COc2ccc3[nH]c(=NC4CCCCC4)sc3c2)cc[nH]1 2382217158 BATXRTAHHWFDOX-UHFFFAOYSA-N 354.479 3.849 0 1 FHAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@H]1CCCC[C@H]1O 775600 XERXPEFZFRHTCL-LSDHHAIUSA-N 372.465 3.681 0 1 FHAF O=C(O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 13675134 QCQMAUKGBNJJIZ-UHFFFAOYSA-N 373.767 3.709 0 1 FHAF O=C(c1cccc2occc12)c1cn(CCN2CCOCC2)c2ccccc12 13742601 LRPQPXKQXRDYRD-UHFFFAOYSA-N 374.440 3.951 0 1 FHAF CN(CCCN1CCCC1)CCN(C)Cc1ccc(Cl)c(Cl)c1 22936569 GSQAIYDFJXVNLC-UHFFFAOYSA-N 358.357 3.843 0 1 FHAF COc1ccc(CCCN2CCC(COCc3ccccn3)CC2)cc1 25995903 ONCKWGBYQKUUPE-UHFFFAOYSA-N 354.494 3.952 0 1 FHAF CCCCCc1cc(O)cc(OCCCCCCCC(=O)NCCO)c1 28649170 WQBVLJVAODRZPH-UHFFFAOYSA-N 365.514 3.953 0 1 FHAF CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN)c1ccccc1 28827199 UMRBLTXFKIJESS-FQEVSTJZSA-N 357.404 3.556 0 1 FHAF CCCCCN1C(=O)[C@]2(OCc3cc4c(cc32)OCO4)c2ccccc21 71334145 KTFHKMBXOMMQGS-NRFANRHFSA-N 351.402 3.726 0 1 FHAF Cc1nc(-c2cnc(N3CCOCC3)nc2-c2ccccc2F)sc1C 82175659 UXBRJVIISCGHKP-UHFFFAOYSA-N 370.453 3.860 0 1 FHAF COc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1 96271308 BZDGCBXVIKXHFH-UHFFFAOYSA-N 360.461 3.508 0 1 FHAF COC(=O)[C@@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 102968463 LLGCIOWMDCLFGV-VQHMHIIYSA-N 355.478 3.511 0 1 FHAF CO[C@]1(C)CC/C=C(\C)CCC2=C(C)C(=O)O/C2=C\[C@](C)(O)CC[C@H]1O 238784433 KEFOKZIMLWOHOY-CLYGZYFSSA-N 364.482 3.561 0 1 FHAF Clc1ncc(Br)c2nc(Cc3csc4nccn34)[nH]c12 587041292 XWTXEVGTQPEFFL-UHFFFAOYSA-N 368.647 3.674 0 1 FHAF N[C@]1(c2nc3cc(Br)cc(F)c3[nH]2)C[C@@H]1c1ccccc1F 587155060 HOZOCRWSYZHFJZ-QLJPJBMISA-N 364.193 3.945 0 1 FHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 587242383 UPMDYFDMYVETDG-UHFFFAOYSA-N 369.377 3.981 0 1 FHAF CN1CCN(c2ccc3nc(-c4cc(N)cc5ccccc45)[nH]c3c2)CC1 587252041 RABYUQHXNUEFQT-UHFFFAOYSA-N 357.461 3.717 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ccc(Cl)nn13)CC2=O 587458784 BJRBJLSBUSCTEK-IBGZPJMESA-N 371.824 3.921 0 1 FHAF COc1ncc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572289 VAXKTHVATDERBY-QFBILLFUSA-N 367.332 3.638 0 1 FHAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587588203 PMPVIDXGTQOCCH-WIYYLYMNSA-N 363.369 3.807 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc(Cl)cn1 587656405 ZLSSKPXZTCGOGW-UHFFFAOYSA-N 370.746 3.774 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Cl)cn2)N1 587703197 GABNAFJISZHPTQ-AYVTZFPOSA-N 370.653 3.829 0 1 FHAF CC[C@]1(c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587753544 BDBASXQKHAVWRQ-BMLIUANNSA-N 366.278 3.818 0 1 FHAF CCc1nccnc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772464 NYDNDZUCWSCMHN-DYZYQPBXSA-N 364.262 3.738 0 1 FHAF COC(=O)C1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587804768 FLKDXQAVFXUSNI-KCCQOBMMSA-N 370.262 3.681 0 1 FHAF COC(=O)[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587809968 SKXLSSYSAWOWKU-QLJPJBMISA-N 358.251 3.537 0 1 FHAF COc1cc(CC(=O)O)ccc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963116258 WDQLLKJJZPNYNX-KKSFZXQISA-N 355.409 3.571 0 1 FHAF COc1ccc(F)cc1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772652116 RIFXHMNBXNIWJB-MRXNPFEDSA-N 356.353 3.799 0 1 FHAF O=C(O)c1cc(NC(=O)C2CC2)cc(-c2ccc(C3CCNCC3)cc2)c1 1857578022 WMNNSGJASLLONL-UHFFFAOYSA-N 364.445 3.867 0 1 FHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(OC)nccc21 1857617735 WJRKUCBSIYGAEE-UHFFFAOYSA-N 359.429 3.744 0 1 FHAF CC=C1[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356366575 LWZNDYKDUGVSBN-KCQFRJDASA-N 359.554 3.767 0 1 FHAF Cc1cc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccc(Cl)c(Cl)c2)no1 59889548 UOHXLVYVKFLPNS-HIFRSBDPSA-N 352.221 3.800 0 3 FHAF COc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)COC3=O 6483940 TXDMVCNSUVLKHW-UHFFFAOYSA-N 364.353 3.923 0 1 FHAF biogenic,in-vitro OCCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cccc(Cl)c32)CC1 22937835 HKWOIXRWXXYROZ-QUCCMNQESA-N 374.887 3.666 0 1 FHAF C=C(C(=O)O)[C@@H]1C[C@H](OC(=O)C[C@H](C)CC)[C@]2(C)CCC[C@](C)(O)[C@H]2C1 31162420 VOGZHCQKYXJSRT-NRPQEYHISA-N 366.498 3.943 0 1 FHAF biogenic O=C1Cc2ccccc2[C@H](c2ccc(NC(=O)NCc3ccccc3)cc2)N1 33823699 KZJFAPXRGCCXCR-QFIPXVFZSA-N 371.440 3.770 0 1 FHAF CN1[C@H]2CC[C@@H]1[C@H](C(=O)OCCF)[C@H](c1ccc(Br)cc1)C2 36271363 LEEXJBMYTWENTA-CAOSSQGBSA-N 370.262 3.528 0 1 FHAF O=C1Nc2ccc3ncccc3c2/C1=C/Nc1ccc(Cn2ccnc2)cc1 38464276 DGJKYSIIGHMSAG-PDGQHHTCSA-N 367.412 3.885 0 1 FHAF Cc1ccc(CN2C[C@@]3(CC(C)(C)Oc4ccccc43)OCC2=O)cc1 40849228 KTEUMPLAHMTXQS-JOCHJYFZSA-N 351.446 3.810 0 1 FHAF Cc1ccc2c(c1)C[C@@H](c1nc3ccc(-c4ccnc(N)n4)cc3o1)CO2 40873466 WHXFFYHHDXLLSY-OAHLLOKOSA-N 358.401 3.894 0 1 FHAF COCOc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OC 45298685 PBOPSGZJMHMDNR-SREVYHEPSA-N 360.406 3.874 0 1 FHAF Nc1ncc(Cl)nc1CNC(=S)Nc1cc(Cl)cc(Cl)c1 71294295 OKKIRFVLOKJGRI-UHFFFAOYSA-N 362.673 3.506 0 1 FHAF O=C(Cc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12 71296304 JLZCWZBGFAKRJB-UHFFFAOYSA-N 355.397 3.567 0 1 FHAF CC(C)c1nn2cccc3c2c1C1=NN(Cc2ccccc2)C(=O)C[C@H]1C3 71340951 NQGGECMPINHXDK-QGZVFWFLSA-N 358.445 3.767 0 1 FHAF CN(C)[C@H]1CCN(C(=O)c2csc(-c3cccc(Cl)c3Cl)n2)C1 84690328 NCDJTMFLWMGNJQ-JTQLQIEISA-N 370.305 3.893 0 1 FHAF CC(C)N1CCCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)CC1 95552094 MRMHKPMMJUGFOQ-JOCHJYFZSA-N 350.506 3.956 0 1 FHAF Cc1nn(C(=O)Cc2ccccc2)c2c1nnc1cc(Cl)c(F)cc12 95559818 RAJDHBHKRNQQDP-UHFFFAOYSA-N 354.772 3.963 0 1 FHAF C[C@@]1(C(=O)NCc2ccc(Cl)cc2Cl)CCC(=O)N1C1CCC1 95565729 PBFYCOIJAOQYJO-KRWDZBQOSA-N 355.265 3.543 0 1 FHAF O=C(NC1CCCC1)N1CCCN(c2nc3cc(Cl)ccc3o2)CC1 95594642 AQTKTALCKROFJO-UHFFFAOYSA-N 362.861 3.646 0 1 FHAF O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 101540381 PKEODQBLMLQVCV-MKBNYLNASA-N 357.841 3.752 0 1 FHAF O=S(=O)(Nc1ccncc1Nc1ccc(F)c(Cl)c1)C(F)(F)F 103266661 GEPDHYISDWHCFI-UHFFFAOYSA-N 369.727 3.879 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccc2c(c1)OCO2 104014127 SBKBVCUYMZFEQJ-CQGUWYRNSA-N 373.405 3.617 0 1 FHAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccncc2)n1)c1ccccc1 142054391 KRPIYQNABUKSLC-WMLDXEAASA-N 361.405 3.743 0 1 FHAF COc1ccc([C@H]2OC[C@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1OC 238748764 AWOGQCSIVCQXBT-RSMHBEIYSA-N 370.401 3.508 0 1 FHAF COc1ccc(NC(C)(C)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587201155 IASPIIBHXQWBDN-UHFFFAOYSA-N 352.438 3.621 0 1 FHAF CN(C)S(=O)(=O)c1cccc(C(=O)c2coc3ccc(Cl)cc23)c1 587279453 UZIONBDHLZURMT-UHFFFAOYSA-N 363.822 3.568 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)O2 587387124 NIOMLGVDCLMVPA-HBUWYVDXSA-N 374.481 3.995 0 1 FHAF CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587397126 SWLNGRPBVUNKPC-OAQYLSRUSA-N 368.433 3.587 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CN)(c1ccc(OCC)cc1)CC2=O 587473203 RAJXJZFFNSHEEM-OAQYLSRUSA-N 355.434 3.563 0 1 FHAF CS(=O)(=O)c1ccc(F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505729 PWCDZRVLGPMICV-GOSISDBHSA-N 374.433 3.815 0 1 FHAF CS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587530736 GXAISHCIXGXDEJ-HNNXBMFYSA-N 362.472 3.737 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)nn1 587554444 XSWTUTSKTWKBHE-QAPCUYQASA-N 354.749 3.539 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncccc1F 587655789 QWQBKBPJNDYSPJ-UHFFFAOYSA-N 353.303 3.865 0 1 FHAF CCn1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587739814 VWSDFLMJLDKPHT-XLKFXECMSA-N 356.214 3.567 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2CC2CC2)N1 587762110 XERYDOFZAVVGFO-QGHHPUGFSA-N 364.262 3.818 0 1 FHAF COc1cc2c(cc1OC)[C@@H](c1cc(Br)c[nH]1)N(C)[C@@H](C)C2 962642263 ZAAKTFMXRMOGPY-BTDLBPIBSA-N 365.271 3.760 0 1 FHAF COc1ccc2c(c1)[C@]1(N[C@H]3CC[C@H]23)c2ccccc2C(=O)c2ccncc21 962993394 ILMHOLVZWVGOAA-CFJRQAHESA-N 368.436 3.776 0 1 FHAF CCn1cc(C(=O)C[C@@]2(C(F)F)NCCc3cccc(Cl)c32)c(C)n1 963391616 VRHJWUSMCOIOQS-GOSISDBHSA-N 367.827 3.744 0 1 FHAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\c2csc3ccccc23)C(=O)O1 1857629552 XELZELDAOXMYOD-ZTVSIKPCSA-N 374.458 3.552 0 1 FHAF CC(C)=CCc1cc(C(=O)O)cc2c1O[C@H]([C@@](C)(O)CC=CC(C)(C)O)C2 2356349300 BTKLEVQOFPWVET-AVRDEDQJSA-N 374.477 3.665 0 1 FHAF CC[C@@H]1C[C@H]2CN3Cc4c([nH]c5ccc(OC)cc45)[C@@](OC(C)=O)(C2)[C@H]1C3 2356540368 VOXIUXZAOFEFBL-CUMKQXGYSA-N 368.477 3.817 0 1 FHAF CSCC(=O)N1CCc2ccc(NC(=O)c3ccccc3Cl)cc2C1 12712744 UFVHEBJRYDHAJM-UHFFFAOYSA-N 374.893 3.840 0 3 FHAF CCN1c2ccccc2N[C@H]2[C@@H]1[C@H](C(C)=O)C(=O)N2c1ccc(Cl)cc1 758732 ZAWXEKWIVKRFGX-GBESFXJTSA-N 369.852 3.539 0 1 FHAF C[S@](=O)c1ccc([C@H](Nc2cccnc2)C(=O)c2ccc(F)cc2)cc1 12352408 CNYVDGNVBLSXLF-AFMDSPMNSA-N 368.433 3.994 0 1 FHAF CC1(C)N=C(N)N=C(N)N1c1cccc(SCc2ccc(Cl)cc2)c1 13740737 GSCGWLDPDDBRPJ-UHFFFAOYSA-N 373.913 3.818 0 1 FHAF CO[C@@]1(C)CC[C@@H]2[C@H]3[C@@H](CC[C@H]2C)[C@@H](C)C(=O)N(Cc2ccccn2)[C@@H]3O1 27557316 AKJBOILCNJVMIB-RARQHTIOSA-N 372.509 3.838 0 1 FHAF CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28109583 CSWCIBOMUHUPBF-MPBLMAKGSA-N 351.874 3.912 0 1 FHAF CN(Cc1cccc(F)c1)C(=O)CCCn1c(N)nc2cc(Cl)ccc21 58591777 UOKIRMWENSTYCK-UHFFFAOYSA-N 374.847 3.850 0 1 FHAF CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2nc3ccccc3o2)CC1 66114481 XDYQCKWORDYBCU-UHFFFAOYSA-N 359.426 3.804 0 1 FHAF CC(C)C1=N[C@@](c2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N 95579673 JBCUFKPVMAMCAR-JOCHJYFZSA-N 355.445 3.813 0 1 FHAF Fc1cccc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccncc3)cc2)c1 100106998 XTIYDJJQLDPFRP-JKHIJQBDSA-N 359.448 3.828 0 1 FHAF Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3C(C)C)nc2n1 113421404 IYKCKOUTXZATNH-UHFFFAOYSA-N 360.465 3.971 0 1 FHAF N=C1Oc2cc(O)ccc2[C@H](c2cccnc2)[C@@H]1C(=O)OCc1ccccc1 169730711 VCIKTXLHLBGWRT-PMACEKPBSA-N 374.396 3.648 0 1 FHAF Cc1cc(Cc2nc3c(S)nc(S)nc3[nH]2)ccc1Br 586976386 IZYRXGTZYTZNIW-UHFFFAOYSA-N 367.297 3.592 0 1 FHAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587162755 LHKUQICYQQVDHS-QZTJIDSGSA-N 351.425 3.805 0 1 FHAF C[C@@]1(c2c[nH]ccc2=N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341507 ZAFGQRQTZCVMQS-FPOVZHCZSA-N 364.376 3.613 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3cccc(Cl)c3)n1)O2 587375885 AKUQTILRAVKIIR-KRWDZBQOSA-N 354.797 3.518 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(C[C@H]3CCCO3)c1C)O2 587389916 NUSOKLNOGIBURR-QRWLVFNGSA-N 354.450 3.881 0 1 FHAF COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4OC(=O)[C@H]1C)[C@@H](C2)C3=O 587423516 UWRDBVZCEKFZGV-MVDWWQDYSA-N 370.788 3.547 0 1 FHAF CCOc1cc(CC[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O 587442192 OXRXGTPIZQPNJY-ZHRRBRCNSA-N 368.429 3.938 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(OC)ccc2C[C@H]1N=O 587469259 MDXRGLMEIZGGKS-CTNGQTDRSA-N 367.401 3.905 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(C2CC2)N1 587824908 BDERMTCMBIRSGT-FVMDXXJSSA-N 356.235 3.593 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC2OCCO2)N1 587828917 AZTADIUYWCTAPI-ZUZCIYMTSA-N 358.251 3.707 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CCO[C@H]1C21CCC1 587837866 LDDJZTYQTWFVGH-UCOJWJJSSA-N 366.274 3.907 0 1 FHAF O=C(O)/C=C/C=C/c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 587969678 UZQYGQCLADSOLW-ZPUQHVIOSA-N 361.117 3.998 0 1 FHAF CN1C(=O)c2ccccc2C[C@H]1CN1CCC2(CCc3ccccc32)CC1 653739221 FGHKLORYAMQWHS-FQEVSTJZSA-N 360.501 3.663 0 1 FHAF COc1ccc2c(c1)[C@@]1(C=CO2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962634516 KNRMLURRFXMOFK-JLCFBVMHSA-N 367.445 3.739 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(C)n(NC(C)=O)c2C)N1 962942770 GDUJBARZMIQANT-YWZLYKJASA-N 350.466 3.690 0 1 FHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2scnc2C2CC2)N1 962964220 JRYXAOVEDVAFDS-HZMBPMFUSA-N 370.808 3.640 0 1 FHAF Cc1cc(O)ccc1C1CCN([C@H]2CCN(Cc3ccccc3)C2=O)CC1 1772640265 JOFOAGSZQAGZDV-QFIPXVFZSA-N 364.489 3.681 0 1 FHAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccccc2)cc1 3814580 GWMFOHRUWPDLIP-UHFFFAOYSA-N 366.364 3.962 0 1 FHAF Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(O)C(N)=O)c1 13603995 GGFDEPGEFULXTE-UHFFFAOYSA-N 367.405 3.541 0 1 FHAF Oc1ccccc1N1CCN(CC[C@H](O)c2csc3ccccc23)CC1 13861806 ABYMPOVMMYXTTE-IBGZPJMESA-N 368.502 3.853 0 1 FHAF Cc1ccccc1OC[C@@H](O)CNC(C)(C)Cc1cc2ccccc2n1C 28124545 JVYPWIMDYUZMFN-FQEVSTJZSA-N 366.505 3.837 0 1 FHAF Cc1nn(-c2ccccc2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12 28523302 POVLBFGOTCQWII-UHFFFAOYSA-N 367.412 3.712 0 1 FHAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)O[C@H](CO)CO3)cc1 28863833 PAZFBTRQYDVLAE-PMQIGOLDSA-N 367.445 3.768 0 1 FHAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)CC[C@H](Cc2ccccc2)C3=O)S1 29552853 GQSUDXNKQFXKOH-AEFFLSMTSA-N 365.454 3.569 0 1 FHAF C[C@H]1CCC[C@@H](C)N1CCC[C@@](C(N)=O)(c1ccccc1)c1ccccn1 29553811 CZVQBMXKFAJRAC-SELNLUPBSA-N 365.521 3.896 0 1 FHAF C/C=C(/C)C(=O)OC/C=C(/C)C(=O)OC/C=C/c1ccc(OC)c(OC)c1 39097042 RIYSDQALFSNBHQ-QHHKYZSTSA-N 374.433 3.716 0 1 FHAF CN(C)C1=NN(c2ccc(Cl)cc2)CN(c2ccccc2Cl)C1=O 45355641 WZEXHQSBEZNUMN-UHFFFAOYSA-N 363.248 3.679 0 1 FHAF O=C(O)c1cn(Cc2ccc(C3CC3)cc2)c2c(F)ccc(F)c2c1=O 45384271 OFILOHDYEJZLOC-UHFFFAOYSA-N 355.340 3.904 0 1 FHAF COc1cc(-c2cn(Cc3cccc(F)c3)nn2)ccc1-n1cnc(C)c1 72113623 XRVSCHWAESRICQ-UHFFFAOYSA-N 363.396 3.635 0 1 FHAF CC1CCN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3)n2)CC1 82133074 DZDCHGLMRKGHSC-UHFFFAOYSA-N 350.466 3.616 0 1 FHAF O=C(C1CC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95877404 XBCCLMQJAKAFTB-JRGCBEDISA-N 366.436 3.579 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c1 586922253 KTIBOQMBBKEOGY-UHFFFAOYSA-N 370.261 3.649 0 1 FHAF COc1cc(/C=C/c2nc3ccc(C(N)=O)cc3[nH]2)ccc1Br 586977011 LTZIQSQPDAQKBQ-XVNBXDOJSA-N 372.222 3.603 0 1 FHAF Brc1n[nH]c2ccc(-c3nc4cc5cn[nH]c5cc4[nH]3)cc12 587008436 VSSIVENJGZFOAK-UHFFFAOYSA-N 353.183 3.745 0 1 FHAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cnccc3[nH]2)cs1 587019201 KBCJTQVWPFUPCY-UHFFFAOYSA-N 350.407 3.649 0 1 FHAF Cc1cc2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2c(C)n1 587029209 JYXNRPXQKZMNMI-UHFFFAOYSA-N 351.435 3.724 0 1 FHAF COC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)c(N)c3)nc2c1 587139807 XVORCTJBBDLITL-UHFFFAOYSA-N 364.174 3.500 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)NC3CC3)cc1)O2 587389428 KLVRHYCFWNDTQM-NRFANRHFSA-N 365.433 3.742 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@H]1CN3C(=O)OC(C)(C)C)O2 587398067 DUWVIUOVBHJEKT-PXIJXODZSA-N 372.465 3.701 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccn2C(F)F)N1 587719388 QNNCPYDKIFUPHT-MADCSZMMSA-N 360.177 3.803 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C)N(C3CC3)C2)N1 587763214 XQYBEWZWRAXRTP-AGKHESDQSA-N 353.279 3.574 0 1 FHAF C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)CN1C 587763445 ZDIDGLWKWJEQEY-YXPOGWMNSA-N 355.295 3.678 0 1 FHAF COc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587851874 DAIXGOCJWKKOLO-CPFSXVBKSA-N 357.248 3.677 0 1 FHAF Cc1nsc(N)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587857547 KYEGTRGIRGLVDV-KWKYVRJSSA-N 370.291 3.733 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC(F)(F)F 587868440 NELVHHSTWMOZDO-UHFFFAOYSA-N 353.222 3.565 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc(Cl)nc1N 962372977 LANWHGDMANOPES-QGZVFWFLSA-N 358.898 3.865 0 1 FHAF Cc1cc(N2CC[C@@]3(CCN(Cc4ccc5nccnc5c4)C3)C2)cc(C)n1 1857582246 KJUZVOMMESDTBC-HSZRJFAPSA-N 373.504 3.744 0 1 FHAF COc1ccc(CCCNc2cc(Cl)ccc2-n2cncn2)cc1OC 1857599236 JWPZKNKCBMPDDI-UHFFFAOYSA-N 372.856 3.983 0 1 FHAF COC(=O)CC=C[C@@H](C)[C@H](OC)c1c(Br)ccc2c1OCO2 1857622728 WGONEYCOJVMLLL-BMIGLBTASA-N 371.227 3.621 0 1 FHAF COc1cc(C)cc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1 1857772731 BOBQZWKOBBWGCV-UHFFFAOYSA-N 361.445 3.743 0 1 FHAF COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cc(C)ccn3)c2)c1 1006675 ZQWYMRACAZGGKP-UHFFFAOYSA-N 361.401 3.903 0 3 FHAF CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 2663898 XFJHEHPHORXYCO-WOJBJXKFSA-N 350.462 3.635 0 3 FHAF CC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2466678 ZEGFHYHEFJVNMT-LEWJYISDSA-N 362.473 3.686 0 1 FHAF COC(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2 3955827 LFYDVSVCBLVHKM-UHFFFAOYSA-N 350.462 3.940 0 1 FHAF C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 6525515 YJFRCGBSROETFJ-NFFSJLNMSA-N 367.917 3.897 0 1 FHAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1 103291304 GOIVGYHTQHWGLH-UHFFFAOYSA-N 365.408 3.752 0 1 FHAF CCCCCn1ncc2c(N)c(C(=O)OCc3ccccc3)c(C)nc21 26569911 JGNJHYRDIJVELU-UHFFFAOYSA-N 352.438 3.869 0 1 FHAF c1ccc2nn(Cc3nc4ccccc4n3CCN3CCCCCC3)nc2c1 26267548 CIMBAGMHFCGUAD-UHFFFAOYSA-N 374.492 3.705 0 1 FHAF O=C(N1CC[C@]2(c3c[nH]c4ncccc34)C[C@@H]12)C1(c2ccc(F)cc2)CC1 101528785 VVJOKHURAIJLBE-XMSQKQJNSA-N 361.420 3.676 0 1 FHAF O=c1oc2ncccc2n1CCCCN1CCC(c2ccccc2)CC1 28754706 XYVBBXRHIWYKPY-UHFFFAOYSA-N 351.450 3.649 0 1 FHAF O=C1OC2(CCN(c3nc4c(Cl)cccc4[nH]3)CC2)c2ccccc21 40976839 PMRYRRQZWAWPNO-UHFFFAOYSA-N 353.809 3.882 0 1 FHAF COCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccccc2)n1 82132800 YRILGUQPCLGFGD-CRAIPNDOSA-N 368.481 3.510 0 1 FHAF COc1ccc2c(c1OC)[C@@]13CCN(CC4CC4)[C@H](C2)[C@H]1C[C@H](C)C(=O)C3 195322410 HSEYGJLILMXTEM-ZFTZODIFSA-N 369.505 3.597 0 1 FHAF CCc1cc(=O)c2ccc(OC)c(COC(=O)Cc3ccccc3C)c2o1 2382218448 OUZKVBOPXGDFIG-UHFFFAOYSA-N 366.413 3.958 0 1 FHAF O=C(O[C@@H]1C[C@H]2C[C@H]1C[C@@H]2n1cnc2c(Cl)ncnc21)c1ccccc1 299816667 LFNDXIWNKYRRHL-CBBWQLFWSA-N 368.824 3.676 0 1 FHAF Cc1cc(C)c(CNC(=O)c2ccc3cnn(C4CCCC4)c3c2)c(O)n1 653716364 RPCNRHRZMYKHOM-UHFFFAOYSA-N 364.449 3.799 0 1 FHAF CCOC(=O)C1(C)CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587793366 DPZRUPLDROKAAX-OSWGYVBTSA-N 370.262 3.681 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCN(C)C2)N1 587762878 UXTJIIZETUFJCA-ZUCKAHLUSA-N 355.295 3.679 0 1 FHAF NC(=O)Nc1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587243713 PNQILGSHCFLTJJ-UHFFFAOYSA-N 371.269 3.770 0 1 FHAF CC(C)(C)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354693 RAPOUUFLWIPDJE-JXFKEZNVSA-N 358.365 3.760 0 1 FHAF CCOC(=O)CNc1ccc(-c2nc3cc(Cl)c(OC)cc3[nH]2)cc1 587226875 FJAGRXCULBRPEE-UHFFFAOYSA-N 359.813 3.867 0 1 FHAF COC(=O)c1cc2nc([C@H](N)C3CC3)[nH]c2c(F)c1Nc1ccccc1 587255520 JITUCESCTHMJHX-OAHLLOKOSA-N 354.385 3.642 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ncccn3)o1)O2 587412055 WZZRXARTTXFPMQ-HNNXBMFYSA-N 353.403 3.818 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)C=C2Cl)N1 587703107 FTNBCIVZQMVJJY-RFAUZJTJSA-N 357.654 3.857 0 1 FHAF CCOC(=O)[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350235 RNRKIKNSFBENKD-RXVVDRJESA-N 372.392 3.848 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C1CN(C(=O)OC(C)(C)C)C1 587871971 GEBVZFWIVJAIDX-UHFFFAOYSA-N 361.417 3.880 0 1 FHAF COC(=O)c1cc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2cn1 587933580 RGFNYWBKOMMKQJ-UHFFFAOYSA-N 351.406 3.613 0 1 FHAF CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)cc1 587367175 UTJVKIKUUYZSSL-UHFFFAOYSA-N 360.211 3.818 0 1 FHAF Cc1csc(SCc2ccc(-c3nc4c(O)ncnc4[nH]3)cc2)n1 587021609 OGNJRFAKKIRTAI-UHFFFAOYSA-N 355.448 3.783 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1cnccn1)O2 587378270 NFUWCHDIHLATGV-HXUWFJFHSA-N 365.820 3.930 0 1 FHAF Oc1ccc(C2(c3nc4cc5c(cc4[nH]3)OCCCO5)CCOCC2)cc1 586913935 WLFDKIIOYDWQSV-UHFFFAOYSA-N 366.417 3.526 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1)[C@@H](C2)C3=O 587421490 MSKZDNAVDBJNSQ-YWZLYKJASA-N 371.820 3.884 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(OC(F)(F)F)c1O)[C@@H](C2)C3=O 587423895 WBUIGKRIGQSOJQ-APPDUMDISA-N 366.291 3.788 0 1 FHAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587172171 YEWSEOPTMPHYES-JTQLQIEISA-N 366.439 3.845 0 1 FHAF O=C(O)c1cccnc1SCc1nc2cc(Cl)c(F)c(F)c2[nH]1 586967472 YULVDXKOGRJTNG-UHFFFAOYSA-N 355.753 3.880 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2nc(O)[nH]c2c1 587590641 SWJGLHHMNHJOFT-XLIONFOSSA-N 374.352 3.677 0 1 FHAF COc1ccc2c(c1)[C@]1(C=CO2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962634512 KNRMLURRFXMOFK-FPTDNZKUSA-N 367.445 3.739 0 1 FHAF CC[C@@H]1CCC[C@@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963137786 GJDVFOSHXSEZJK-YNKQFZHNSA-N 366.483 3.795 0 1 FHAF Cc1cccnc1[C@@]1(c2ccc(F)cc2)NCCc2c1c(C(C)C)nn2C 962917935 MIXFOHUKYYCKCG-QFIPXVFZSA-N 364.468 3.824 0 1 FHAF COC(=O)CC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13518464 QJPQEBRNQUZFDF-GAWRCDSNSA-N 358.478 3.789 0 1 FHAF COc1cccc(CC[C@H](O)C[C@@H](O)c2cc(-c3ccccc3)on2)c1 1857750708 JXZFGLMQNSJUMZ-FXAWDEMLSA-N 353.418 3.767 0 1 FHAF CCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC(C)(C)O2 2487696 VLYCLVXSLYAAOP-WMZOPIPTSA-N 360.498 3.587 0 1 FHAF COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccco1)CC2 3955942 RQNUXWCGFZLWHD-UHFFFAOYSA-N 368.477 3.807 0 1 FHAF COc1cc(Nc2nc(N)nc(-c3ccccc3)n2)ccc1-c1cnco1 12354264 CMBCCZAWOWOXBW-UHFFFAOYSA-N 360.377 3.528 0 1 FHAF O=C(NC1CCCCC1)N[C@@H]1CCC[C@@H](NC(=O)NC2CCCCC2)C1 13493782 HWRAOPDAPKUDKH-QZTJIDSGSA-N 364.534 3.561 0 1 FHAF CN(CCc1ccc2c(c1)OCO2)C[C@@H]1CCCc2c1ccc1c2OCC1 13761409 KXPCINIHFIZOCL-SFHVURJKSA-N 365.473 3.945 0 1 FHAF C=CC(C)(C)c1cc([C@@H]2COc3cc(O)cc(O)c3C2=O)c(OC)cc1O 15120993 DVOBXRXPMIWESL-ZDUSSCGKSA-N 370.401 3.635 0 1 FHAF biogenic O=C(Cn1c(Cn2nnc3ccccc32)nc2ccccc21)c1ccccc1 26257156 ULGBLUCQWPWEQH-UHFFFAOYSA-N 367.412 3.712 0 1 FHAF Cc1noc(NS(=O)(=O)c2cccc3ccccc23)c1Br 26467445 NUIMPHRVFJYACI-UHFFFAOYSA-N 367.224 3.700 0 1 FHAF O=c1c2ncn(Cc3ccccc3)c2c2cccnc2n1-c1ccccc1 26728042 PNGGORCCJUSRNF-UHFFFAOYSA-N 352.397 3.784 0 1 FHAF CC(C)c1ccc(NC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1 28397459 XSKDODVTPLNVBZ-UHFFFAOYSA-N 359.861 3.608 0 1 FHAF CCC(CC)Nc1nc(C)nc2c(-c3cnc(OC)cc3C)c(C)nn12 40410688 RTFPOLXCJDSSSV-UHFFFAOYSA-N 354.458 3.721 0 1 FHAF Cc1ccc(CNC(=O)[C@H]2CNC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 45319459 FIGDYIJYOZCGNZ-ROUUACIJSA-N 362.395 3.633 0 1 FHAF O=C(N1CC[C@]2(c3c[nH]c4ncccc34)C[C@H]12)C1(c2ccc(F)cc2)CC1 68197807 VVJOKHURAIJLBE-PGRDOPGGSA-N 361.420 3.676 0 1 FHAF C[C@@H](NC[C@@H]1NS(=O)(=O)c2ccccc21)c1cccc2ccccc12 72108915 PYPJLDXZSPEGIP-KUHUBIRLSA-N 352.459 3.524 0 1 FHAF COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cc1 96282535 YZUKESPJWCKIQZ-UHFFFAOYSA-N 360.373 3.847 0 1 FHAF CCc1sc(-c2cccc(F)c2)nc1CSc1nc(N)cc(N)n1 96283880 PGSNKNSEKULUSP-UHFFFAOYSA-N 361.471 3.758 0 1 FHAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2cccnc2)n1)c1ccccc1 142051222 PQUDLJIIVMKQND-WMLDXEAASA-N 361.405 3.743 0 1 FHAF CCC[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)Cc2ccccc21 205140559 PWUOZKPIEROBQK-HXUWFJFHSA-N 352.478 3.587 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4cccnc4)ncc23)ccn1 205447410 ZILJUJOLNANMGB-ZDUSSCGKSA-N 373.420 3.606 0 1 FHAF COc1ccc(/C=C2\c3cc(OC)c(OC)c(OC)c3CC[C@H]2O)cc1F 299868267 ZMNZXQNJLFXABB-NQUDRAQSSA-N 374.408 3.708 0 1 FHAF N[C@H](Cc1nc2ccc(Br)nc2[nH]1)c1ccccc1Cl 587056983 MNLWXRWRQYMANQ-SNVBAGLBSA-N 351.635 3.616 0 1 FHAF Oc1nccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587118003 YZZGJDSTCIGCQZ-UHFFFAOYSA-N 371.750 3.652 0 1 FHAF Cc1cnc(Cl)c2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 587132259 ONQFDSRSDYHDOT-VIFPVBQESA-N 372.803 3.889 0 1 FHAF N=c1[nH]cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc-2[nH]1 587159618 RAKFVWLLPMPFCQ-HNNXBMFYSA-N 369.787 3.678 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 587232081 SNZDGOJIMMOXQR-QWHCGFSZSA-N 369.387 3.618 0 1 FHAF COc1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1 587243950 CSUPIDJXUWYYHB-UHFFFAOYSA-N 362.389 3.711 0 1 FHAF Cc1nc2nc(O)nc(O)c2cc1Cc1c(C)nc2ccccc2c1Cl 587368263 FKTSYNOPELZFFK-UHFFFAOYSA-N 366.808 3.845 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C)C(=O)O)(c1ccccc1F)O2 587384860 JULYGMWVLFJAQJ-ODXCJYRJSA-N 357.381 3.688 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ncc(Br)cc1C)[C@@H](C2)C3=O 587417807 MILLURIJOJNQQS-SCLBCKFNSA-N 374.234 3.824 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1cnn(CC)c1C)(C(F)F)CC2=O 587465607 JAZKVUHJHUZUJN-LJQANCHMSA-N 364.392 3.995 0 1 FHAF CC(=O)OC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592010 FZBDMXXKNXEURP-LAUBAEHRSA-N 370.401 3.702 0 1 FHAF CO[C@H](c1cncs1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619871 VGBKBWHHCVITOS-LZQZEXGQSA-N 369.398 3.567 0 1 FHAF CC[C@]1(c2cncn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587752813 GJXHVEWNCWKIHT-QLJPJBMISA-N 352.251 3.510 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3c(n2)SCC3)N1 587857552 RPGFLHIYQZAZPI-XLKFXECMSA-N 368.275 3.514 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@](CCOc3ccccc3)(C3CC3)c3cccc1c32 963023958 JFLVLFUIFLTHNH-WAIKUNEKSA-N 362.473 3.814 0 1 FHAF COc1ccc2[nH]c3c(c2c1)C[C@@H]1c2cc(OC)c(O)cc2CCN1C3 1772576332 LFRZAOTWPUWCRG-LJQANCHMSA-N 350.418 3.546 0 1 FHAF CC(C)n1nc(CN2Cc3ccccc3S2(=O)=O)cc1-c1ccccc1 1772618495 IEGWCSYYRBGBLG-UHFFFAOYSA-N 367.474 3.836 0 1 FHAF CC(=O)N1c2ccccc2N(Cc2cc(C)ccc2C(=O)O)C[C@H]1C1CC1 1857640926 UCGRJRJGPPILBF-NRFANRHFSA-N 364.445 3.845 0 1 FHAF CC=C(C)[C@@H]1O[C@@H]2C(C)=C[C@](C=CC(=O)O)(CO)[C@@H]3C(C)=C[C@]1(C)[C@]32C 2356394923 JBEJQFQKKHSILD-RKYRPXKFSA-N 358.478 3.888 0 1 FHAF COc1ccc(-c2noc(NCCCN3[C@H](C)CCC[C@H]3C)n2)cc1OC 6935951 HYKOHJXNGSFSGZ-HUUCEWRRSA-N 374.485 3.819 0 1 FHAF O=C(CSc1nnc(C2CCCCC2)o1)Nc1cccc(C(=O)O)c1 13057910 JMLDHZUOMOYULL-UHFFFAOYSA-N 361.423 3.546 0 1 FHAF C[C@@H]1C2=C(CC=CC2)C(=O)N1CC1CCN(CCc2ccccc2)CC1 13475703 GFEHKHWLVNFFRC-GOSISDBHSA-N 350.506 3.818 0 1 FHAF O=C(Nc1n[nH]c2nc(-c3cccs3)c(Br)cc12)C1CC1 13538628 NFLNGTZCZDPIPL-UHFFFAOYSA-N 363.240 3.797 0 1 FHAF CC(=O)N1N=C(c2ccc(N(C)C)cc2)O[C@H]1c1cc(C)c(C)c(C)c1 27441565 XPCPGNBHVLWGDP-NRFANRHFSA-N 351.450 3.917 0 1 FHAF CCc1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CC[C@@H](c1ccccc1)O3 28867368 NZAQUNQEECDEKJ-IBGZPJMESA-N 363.461 3.973 0 1 FHAF O=C1Nc2ccccc2Nc2cc(-c3ccnc(OCCCO)c3)ccc21 43020330 KFMYGAHINPEVEM-UHFFFAOYSA-N 361.401 3.819 0 1 FHAF O=C1c2ccc(-c3ccc(F)cc3F)cc2CCN1CCN1CCCC1 59113082 GIHJOOARQXFDOP-UHFFFAOYSA-N 356.416 3.726 0 1 FHAF C[C@H](Nc1cc(N2CCC[C@H](C(C)(C)O)C2)ncn1)c1ccc(F)cc1 73197877 GTDTUUSVQKFLHE-HOCLYGCPSA-N 358.461 3.776 0 1 FHAF COc1ccc(C[C@@H](N)c2csc(NC(=O)c3ccc(C)cc3)n2)cc1 82083445 DQXOSUHSADBVQG-QGZVFWFLSA-N 367.474 3.955 0 1 FHAF CCOc1ccc(NC(=O)/C=C/c2coc3cc(OC)ccc3c2=O)cc1 95592613 YHVJWAXTQYMPEZ-NYYWCZLTSA-N 365.385 3.852 0 1 FHAF Clc1ccc2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc2c1 96282679 MKCZJPWVOINYIU-UHFFFAOYSA-N 357.841 3.594 0 1 FHAF COc1ccccc1CN1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1 100108735 NPSYZFOGEPYHIL-FIDNPTQWSA-N 371.484 3.697 0 1 FHAF O=C(O)c1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620841 GJDPQQPJIWRNQY-CTNGQTDRSA-N 374.440 3.978 0 1 FHAF CN(C)C(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 101363803 CADFLVYCUAUFSZ-XVAYZXCPSA-N 364.489 3.963 0 1 FHAF Cc1ccc(NC(=O)Cn2ncc3c4ccccc4nc-3c2O)cc1Cl 101787072 IYOMJATWCMIQFS-UHFFFAOYSA-N 366.808 3.842 0 1 FHAF CC1=Nc2nnnn2[C@H](c2ccc(C)cc2)/C1=C(\O)OC1CCCCC1 103531333 MVXBWSUUPTZNKZ-GROYHEBESA-N 353.426 3.796 0 1 FHAF CN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl 118635280 SOELXNYHIMOSBS-UHFFFAOYSA-N 354.926 3.648 0 1 FHAF C[C@@H]1CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21 168074477 WPYXCCUZWTVDCS-OAHLLOKOSA-N 365.408 3.818 0 1 FHAF Fc1ccc(Oc2ncnc3[nH]cc(I)c23)c(F)c1 169331618 APHAPQUZFADCCT-UHFFFAOYSA-N 373.100 3.633 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 169723977 ZJIGUKOOTNNYSF-NVXWUHKLSA-N 361.413 3.789 0 1 FHAF CC(=O)N[C@@H]1CCCc2c1cncc2N1C(=O)c2ccc(Cl)cc2[C@@H]1C 224484992 GELKDNJSUBLFHD-BBATYDOGSA-N 369.852 3.970 0 1 FHAF CCc1nccc(CN2CCC(c3n[nH]cc3Cc3ccccc3)CC2)n1 473132110 QTIWNUUCTZMGLB-UHFFFAOYSA-N 361.493 3.733 0 1 FHAF O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 586902918 NBUHIDHRPGIAOL-RISCZKNCSA-N 373.206 3.593 0 1 FHAF Cc1cncc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586999045 STTRFDQGCSBGRC-NSCUHMNNSA-N 358.195 3.928 0 1 FHAF Cc1cc(F)c2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2c1 587193858 UKKPNBJELZROCT-UHFFFAOYSA-N 355.413 3.530 0 1 FHAF COc1cc(-c2nc3cccc(Cl)c3[nH]2)ccc1OCC(=O)NC(C)C 587225724 UWZCICBSBXGTMQ-UHFFFAOYSA-N 373.840 3.795 0 1 FHAF Cc1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2c1C 587259770 LQKMPPYFGQTLSK-KRWDZBQOSA-N 366.465 3.886 0 1 FHAF CCc1nnc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)o1 587435818 JCALBPQOZUBZQA-QRWLVFNGSA-N 362.385 3.796 0 1 FHAF C[C@@]1(c2ccnc(Cl)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553886 WKUOGGMZXFXDPF-BEFAXECRSA-N 368.776 3.713 0 1 FHAF CSc1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587614178 RBFYCTMSWHMTSE-QAPCUYQASA-N 366.398 3.607 0 1 FHAF CCN(CC)c1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651825 FHXRAECIQDTJHY-UHFFFAOYSA-N 355.825 3.585 0 1 FHAF Cc1cnn(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587760937 RHBSOTAYVJQGOK-MEDUHNTESA-N 352.251 3.543 0 1 FHAF CCn1cc([C@@]2(CC)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587765804 UHDBUYSATSNAPA-PIGZYNQJSA-N 366.278 3.992 0 1 FHAF COc1ccnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587773357 QTQUZJDDUYAEDY-JDNHERCYSA-N 351.219 3.615 0 1 FHAF Cc1cn2c(n1)[C@]1(CC=C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775607 SHUUSMXFIIZQPH-DYZYQPBXSA-N 362.246 3.745 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](C(=O)O)CC2)N1 587827434 OSBHHFLVMVQBSC-AGKHESDQSA-N 370.262 3.983 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COCc3ccccc32)N1 587836720 XPNZJXXLHYGJCD-BBATYDOGSA-N 362.242 3.896 0 1 FHAF CC(C)Oc1ccc(OC(C)C)n1-c1nc(N2CCCCC2)ncc1F 587944729 IKRKJEDHJQVEPU-UHFFFAOYSA-N 362.449 3.971 0 1 FHAF CNc1nc2ccccc2n2c(-c3cc(OC)c(OC)c(OC)c3)cnc12 653747383 BVFYKGLHMSSQEU-UHFFFAOYSA-N 364.405 3.617 0 1 FHAF COc1ccc2c(c1OC)[C@](CCC(=O)O)(c1ccccc1)N(C)[C@H](C)C2 962623125 IEZVVYYZFAOOLM-QRQCRPRQSA-N 369.461 3.689 0 1 FHAF COc1cc2c(cc1OC)[C@]1(CC[C@H](O)c3ccccc31)N(C)[C@H](C)C2 962629824 QANDLFSUWWPPEM-YFYZNPQRSA-N 353.462 3.651 0 1 FHAF COc1ccc2c(c1)[C@@]1(C=CO2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962634525 KNRMLURRFXMOFK-RCDICMHDSA-N 367.445 3.739 0 1 FHAF COc1ccc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1F 962768405 RJOZMVNKPXHHPC-YJBOKZPZSA-N 367.342 3.744 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@]3(C)[C@H](C(C)=O)c1ccccc1 963047956 QRLBVWUAIXEIOH-NFBKMPQASA-N 360.457 3.977 0 1 FHAF COc1cccc2cc3c(nc12)[C@@H](c1cc(C)ccc1-n1cccn1)NCC3 963067152 NYVRJRYOZMOIQM-HSZRJFAPSA-N 370.456 3.973 0 1 FHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](Cc2ccncc2)N1 963185726 SEOOINXYAYXNGJ-OLZOCXBDSA-N 370.758 3.637 0 1 FHAF CCOC(=O)c1cc2c(nc1C(F)(F)F)nn1c(CC)cc(CC)nc21 1772580966 XYZDVRPKNOUTLH-UHFFFAOYSA-N 366.343 3.598 0 1 FHAF Cc1cc2[nH]c3nc(N)nc(NCc4ccc(Cl)cc4)c3c2cc1O 1772630600 HCZXGIFPGZAPRJ-UHFFFAOYSA-N 353.813 3.973 0 1 FHAF CC(C)(CCc1ccccc1)NC[C@@H](O)c1ccc(O)c2nc(O)ccc12 1857568333 XBCNZHWPHYJZGM-LJQANCHMSA-N 366.461 3.680 0 1 FHAF O=C(O)CCc1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1F 1857766300 TXZFHKXKNNMNHE-AWEZNQCLSA-N 366.772 3.715 0 1 FHAF c1ccc2cc(-c3nnc(N4CCNCC4)cc3-c3ccncc3)ccc2c1 1911584817 QUHUYHMRDJMTMH-UHFFFAOYSA-N 367.456 3.768 0 1 FHAF COc1cc2oc(=O)cc(COC(=O)C=Cc3ccccc3)c2cc1OC 2356347612 JLSOTLFFYIRFNJ-UHFFFAOYSA-N 366.369 3.567 0 1 FHAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCCN(C)C)[C@H](O)C[C@H]1O 2356683451 VNLQPSLXSAMMMJ-RTOMLYRKSA-N 367.574 3.520 0 1 FHAF COc1ccc(C[C@H](N)c2csc(Nc3cccc(OC)n3)n2)cc1 61908738 LRHSFUCIOCRPAT-AWEZNQCLSA-N 356.451 3.541 0 3 FHAF CC[C@@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(C)cc2)C1=O 61959522 GTSRMGIYFBBKTL-KRWDZBQOSA-N 365.481 3.513 0 3 FHAF Cc1ccccc1C1=N[C@](C)(CC(=O)Nc2ccc(F)cc2F)ON1C 74374117 IFBCNGWBBZSHCQ-IBGZPJMESA-N 359.376 3.642 0 3 FHAF Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)Nc3ccccc3)c2)c(C)o1 74387710 KZICWYQJKPQJPQ-UHFFFAOYSA-N 366.421 3.719 0 3 FHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1c(F)cccc1Cl 632811 KBVQWNQUDGWFCF-DLEKYWELSA-N 353.777 3.900 0 1 FHAF CCCCN(C(C)=O)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 1553186 MHZHGCJDIPCYPJ-UHFFFAOYSA-N 364.311 3.608 0 1 FHAF CCC(=O)Oc1c2c(c(COC(C)=O)c3c(C)coc13)[C@@H](C)C[C@@H](O)C2 13300446 CJDTZTGSFJDSGM-GXFFZTMASA-N 360.406 3.530 0 1 FHAF biogenic CN(C)CC/C=C1/c2ccccc2COc2ccc(CCC(=O)O)cc21 13455781 MBORUECSHYIVDB-UWVJOHFNSA-N 351.446 3.980 0 1 FHAF CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 13607551 AEPVZNANVLFOQO-KRWDZBQOSA-N 369.490 3.605 0 1 FHAF Cc1nc2ccc(Cl)cn2c1CN1CCO[C@H](Cc2ccccc2)C1 20255889 QROUPJCWJGLJJP-GOSISDBHSA-N 355.869 3.740 0 1 FHAF CC(=O)Nc1nc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)no1 26491085 MQNMGKAXEUIANH-UHFFFAOYSA-N 370.409 3.620 0 1 FHAF CCN(CC)P(=O)(OCC[C@@H]1NC(C)(C)C[C@H](C)O1)N(CC)CC 26825299 RFOMUBCBDXWDIM-JKSUJKDBSA-N 363.483 3.688 0 1 FHAF CO[C@@H](Cc1scnc1C(=O)Nc1nccs1)c1ccccc1F 28469525 NJHDXAQYKXSYJC-LBPRGKRZSA-N 363.439 3.921 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(N)c3)cc2)C[C@@H]2CC[C@H]1N2C 29477601 FNFCKPGBCJVUBJ-DOIPELPJSA-N 350.462 3.675 0 1 FHAF C[C@H]1CCC[C@@H](C)N1C[C@H](O)CNC(c1ccccc1)c1ccccc1 40506182 REJYGFBJAGQUCN-XQBPLPMBSA-N 352.522 3.989 0 1 FHAF COc1cccc2c1CCC[C@@H]2CCCNCC(=O)NC1CCCCC1 45298488 FPZFBYULDIDYBF-QGZVFWFLSA-N 358.526 3.934 0 1 FHAF O=c1cc(Cl)c2cc(CN3CCN(c4ccccc4)CC3)ccc2o1 45496984 DSGWDZPQHAEKLA-UHFFFAOYSA-N 354.837 3.769 0 1 FHAF O=C(CCCCCN1CCOCC1)Nc1ccc(-c2cccnc2)cc1 84632621 PKCLBDSDKDRNJH-UHFFFAOYSA-N 353.466 3.580 0 1 FHAF COc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(C(N)=O)c1 96273131 ADPPJKSMKLENRP-UHFFFAOYSA-N 368.433 3.882 0 1 FHAF NS(=O)(=O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1 96934999 PFBZNJJFKQUPLB-UHFFFAOYSA-N 367.352 3.645 0 1 FHAF C/C(=C\c1nsc(Nc2ccc(Cl)c(Cl)c2)n1)NCCCO 103946390 OPZACSZSMPVCTB-VQHVLOKHSA-N 359.282 3.921 0 1 FHAF N#Cc1cnc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccccc1 113381770 DYSMRUPLJIKSNE-UHFFFAOYSA-N 370.437 3.883 0 1 FHAF CCCN1C(=O)c2ccccc2[C@]1(O[C@@H]1CC[C@@H](O)C1)c1ccc(F)cc1 117213280 QBTWQHLSEJRMBJ-JBYIUTFZSA-N 369.436 3.823 0 1 FHAF COC(=O)[C@]1(C)CCC[C@@]23[C@@H](O)O[C@H]4c5occc5[C@H](C)[C@H](CC[C@@H]12)[C@H]43 143189178 QHXCPQZUMLSNGR-PZHYZCFKSA-N 360.450 3.778 0 1 FHAF COc1cc(F)ccc1-c1ccnc2[nH]c([C@@H]3CNC(C)(C)CO3)cc12 226060070 LJTCEIDKCOIXBP-SFHVURJKSA-N 355.413 3.817 0 1 FHAF Fc1ccc([C@@H]2CCCn3nc(Nc4ccc5nonc5c4)nc32)cc1 299835902 ZPBSXXNCHCNJLI-AWEZNQCLSA-N 350.357 3.623 0 1 FHAF COc1ccc(Nc2c(-c3ccc(OC)c(O)c3)nc3ncccn23)cc1 473135670 RJGLKTOUOUUTKE-UHFFFAOYSA-N 362.389 3.863 0 1 FHAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 586890762 OTRWTABFIUSSQW-KKSFZXQISA-N 365.477 3.541 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccccc3[nH]2)cc1 587038624 AHGIPSPUIASVKS-KRWDZBQOSA-N 353.447 3.849 0 1 FHAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(N)=O)cc3[nH]2)c1 587051707 UCCMZUKJVIIJTF-UHFFFAOYSA-N 356.813 3.577 0 1 FHAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1F 587151343 HIHOQLFQABAOGS-JKSUJKDBSA-N 369.415 3.944 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC[C@H]3CCCO3)c1)O2 587412732 OFBMQQJPPGFUSM-UZLBHIALSA-N 353.418 3.842 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2c(Cl)cccc21 587460224 GWBIRZSVCMORPN-FQEVSTJZSA-N 371.820 3.835 0 1 FHAF CC(C)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587579545 DPGHPBHFRJCDNW-FXAWDEMLSA-N 350.374 3.873 0 1 FHAF Cn1ccnc1-c1c(-c2ccccc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650186 GQEDVNRMVNFSOB-UHFFFAOYSA-N 351.431 3.639 0 1 FHAF COc1ncccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587772847 PDQJIUJLGVLOFY-PSLIRLAXSA-N 351.219 3.615 0 1 FHAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587773735 RSYOFQRXISTMJY-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3nccnc23)N1 587789815 ASGXYOKKVYLIGN-RFAUZJTJSA-N 373.229 3.550 0 1 FHAF CCOC(=O)[C@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800468 XOWHMGQREAZKJR-APPDUMDISA-N 372.278 3.927 0 1 FHAF COc1ccc(/C=C\Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c(OC)c1 587930317 TXTGPQXZLHWVIS-ARJAWSKDSA-N 364.327 3.596 0 1 FHAF COc1cccc2cc3c(nc12)[C@H]([C@H]1CCN(Cc2ccccc2)C1)NCC3 963066062 LLUZGUQUJKZZGR-REWPJTCUSA-N 373.500 3.952 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1 1772611385 UXUBUUNGOBKLBJ-SCLBCKFNSA-N 360.404 3.820 0 1 FHAF CC(=O)c1c(O)c2cc(F)cc(F)c2[nH]c1=Nc1ccc(F)cc1F 1857601326 CHIBAWFJMDOVTM-UHFFFAOYSA-N 350.271 3.865 0 1 FHAF CC(C)(N=c1nc(-c2ccncc2)[nH]c2cnccc12)c1ccc(F)cc1 1857608523 JGPOQGSHVPRBIJ-UHFFFAOYSA-N 359.408 3.995 0 1 FHAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@H](O)[C@H]1CC=CCCCC(=O)OC 2356306630 OSDWCUBYCGMKAM-FHWLQOOXSA-N 366.498 3.772 0 1 FHAF COc1ccc(C=CC(=O)n2nc(C)c3c2C[C@H]2[C@H]3C2(C)C)c(OC)c1 2356755963 HDECDSQRXVXTEG-MGPUTAFESA-N 352.434 3.858 0 1 FHAF O=C(CCCN1CCN2c3ccccc3CC[C@@H]2C1)c1ccc(F)cc1 5162680 CDMKFCYALGWSEN-HXUWFJFHSA-N 352.453 3.926 0 1 FHAF 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)CC[C@]12O 5535132 XZTUSOXSLKTKJQ-FAXSOLJJSA-N 374.521 3.604 0 1 FHAF Cc1cccc2c1c(C1=C(c3cn(C)c4ccccc34)C(=O)NC1=O)cn2C 13447803 XZTXSLFLRRWEIH-UHFFFAOYSA-N 369.424 3.546 0 1 FHAF CN1C[C@H](COC(=O)C2CCCC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 13793965 DRRFLRLJIKJOHR-LXGCGDOSSA-N 352.478 3.861 0 1 FHAF CCCC[C@H](/C=C1/C[C@@](CO)(COC(=O)C2CCCCC2)OC1=O)CC 40395230 BVJLDIOBLWMSQO-RGRWXVMTSA-N 366.498 3.931 0 1 FHAF CC(C)(C)c1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cc1 49013923 VSEFZWVBYMRIEE-UHFFFAOYSA-N 357.519 3.646 0 1 FHAF COC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@@H]1c1ccccc1 66166489 KNAPOJPJFWLPAB-GOSISDBHSA-N 352.459 3.565 0 1 FHAF Cc1nc(C)n(-c2ccc(Nc3cc(-c4nn(C)cc4C)ccn3)cc2)n1 71335349 VRFLASTXVGXXTO-UHFFFAOYSA-N 359.437 3.732 0 1 FHAF CCCCCNc1ncnc2c1nc(C1CC1)n2CC[C@@H]1CCCN1C 82186913 NWWBLSNQQKHOQK-INIZCTEOSA-N 356.518 3.790 0 1 FHAF CC(C)CN(C)c1ncc(C(=O)N2CCCC2)c(-c2ccc(F)cc2)n1 82215037 PDDHKHSHCMITGI-UHFFFAOYSA-N 356.445 3.611 0 1 FHAF O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccccn1 95580090 YWHQZCNTOKURSL-UHFFFAOYSA-N 353.253 3.690 0 1 FHAF O=C1N(Cc2ccc(Br)cc2)c2ccccc2[C@]12CCCN2 95585946 TWXFVGOOTHIBLU-GOSISDBHSA-N 357.251 3.575 0 1 FHAF Cc1ccc(NCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 95603472 BLNYPVGRWFEDML-UHFFFAOYSA-N 364.449 3.894 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21 100654088 FHWOSRUUSHMKKA-SGNPGRMLSA-N 356.466 3.595 0 1 FHAF Cc1ccc([S@@](N)(=O)=NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 102787544 YVWZKYXQNDAUJG-DEOSSOPVSA-N 357.357 3.947 0 1 FHAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC 102838739 AMDVXHRQEAMYFN-FXBHHXAOSA-N 372.425 3.577 0 1 FHAF COc1ccc([C@H]2CC(c3ccc4c(c3)OCO4)=Cc3n[nH]c(O)c32)cc1 103184168 HCRSZCMEVZQTNW-MRXNPFEDSA-N 362.385 3.929 0 1 FHAF CN1[C@H]2CC[C@H]1CN(CCOC(c1ccccc1)c1ccccc1)CC2 137156291 FKQLYFBPTBVTRD-VXKWHMMOSA-N 350.506 3.961 0 1 FHAF Cc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Br)c(C)o1 299859334 XBBWMQSINIVFNN-AWEZNQCLSA-N 366.211 3.605 0 1 FHAF Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1nccc(O)n1 299871237 YDJVFRIEMFDCGN-UHFFFAOYSA-N 362.336 3.534 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)cc(C)cc3[nH]2)cc1 586939912 UCCYAKIYWXAWTC-AWEZNQCLSA-N 357.479 3.924 0 1 FHAF COC(=O)C1=Cc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O 586991236 ISRCGJDIFSXXJT-UHFFFAOYSA-N 357.365 3.654 0 1 FHAF CCn1cc(Br)c(Cc2nc3cnc4ccccc4c3[nH]2)n1 587001506 YXWQUEVWZRZTBV-UHFFFAOYSA-N 356.227 3.681 0 1 FHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587052514 DDBZKXWSLZOTJV-SSDOTTSWSA-N 359.710 3.721 0 1 FHAF C[C@]1(C2=NCCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374272 OVHVDISQUZKWTN-APWZRJJASA-N 357.406 3.794 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(Cl)c1N)[C@@H](C2)C3=O 587424095 XDNNGNWEWSVDSV-HXPMCKFVSA-N 359.809 3.602 0 1 FHAF CC[C@@]1(c2ccc(OC(=O)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443913 QQRMXOKKGXPYHP-IERDGZPVSA-N 368.385 3.893 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C(C)C)c2ccccc21 587487843 OHUZQWXAVZNDQD-QFIPXVFZSA-N 365.429 3.960 0 1 FHAF CC(C)N1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593194 JYCXROQCMDPJCC-NQIIRXRSSA-N 353.418 3.597 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(Br)c(F)c1 587652069 VKDCTGDTPNIMCQ-UHFFFAOYSA-N 353.578 3.941 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cnn2C)N1 587697247 NCDVFLRTLVSXNP-FUXBKTLASA-N 358.642 3.599 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2N)N1 587750380 UBIPRLXAIUYMLJ-XLFHBGCDSA-N 365.246 3.674 0 1 FHAF Cc1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1C 587768897 DOFCYYNPKYCROZ-QPFGOUBPSA-N 364.262 3.927 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccccn23)N1 587773827 KBNBPPHSUJYPQV-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF COC1=C(C)OC=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587829261 BORJAKZOLJEREN-XXFAHNHDSA-N 354.219 3.740 0 1 FHAF Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccc(F)cc1 653829508 NISVTWVGBZSVRX-UHFFFAOYSA-N 370.409 3.518 0 1 FHAF COc1ccc(-c2c([C@H]3NCCc4cccc(Cl)c43)cnn2C)cc1 963390423 JIFBQCAPNACEEF-LJQANCHMSA-N 353.853 3.984 0 1 FHAF O=C(O)c1ccc(COc2ccc(-c3nc(=O)c4ccccc4[nH]3)cc2)cc1 1772598301 DLMKMFZXDLKRGR-UHFFFAOYSA-N 372.380 3.867 0 1 FHAF CCC(=O)c1ccc(OCCCCN2CCN(c3ccccn3)CC2)cc1 1857564373 UGFDBCBSOFMKGV-UHFFFAOYSA-N 367.493 3.656 0 1 FHAF COc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(Cl)cc2Cl)cc1 1857636015 DYYGKKOMVRPVFZ-OAHLLOKOSA-N 368.216 3.948 0 1 FHAF OC12C[C@H]3C[C@@H](C1)CC(NCc1ccc(N4CCCCCC4)cn1)(C3)C2 1857654257 ISDIZRHSLLANBK-OTXOEQGISA-N 355.526 3.635 0 1 FHAF CC(C)=CCc1cc(C(=O)O)cc2c1O[C@@H]([C@@](C)(O)CC=CC(C)(C)O)C2 2356349301 BTKLEVQOFPWVET-GCJKJVERSA-N 374.477 3.665 0 1 FHAF CCOC(=O)C1=C(O)C(=O)NC(c2ccccc2)=C(OC2CCCCC2)C1 5408420 GNPDMHVEMLMHGX-UHFFFAOYSA-N 371.433 3.600 0 3 FHAF CC(C)C[C@H]1COCCS(=O)(=O)N1Cc1ccc(Cl)c(Cl)c1 12478233 VNNXPRYVPVRUKC-ZDUSSCGKSA-N 366.310 3.570 0 3 FHAF CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2cccc(C(=O)O)c2)cs1 61908864 QKTXUNWHLRYDDM-KRWDZBQOSA-N 370.405 3.873 0 3 FHAF O=C(N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1cccc(F)c1 199716253 ASDNDHSSBIYFMZ-GOSISDBHSA-N 374.843 3.790 0 3 FHAF CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc([18F])cc3)n2)ncn1 102827092 WIVGIKIKQHUFOD-AWDFDDCISA-N 370.444 3.836 0 1 FHAF COC(=O)[C@@H]1CCC[C@]23[C@H]1CC[C@H]1[C@@H](C)c4ccoc4[C@H](O[C@@H]2C)[C@@]13O 59588858 NOYOVPKOEBZOML-BYAIXUJBSA-N 360.450 3.573 0 1 FHAF biogenic,in-vitro CN1C(=O)c2ccccc2[C@@H]1CCN1CCN(c2ccc(Cl)cc2)CC1 29243742 XWNSNFBCWKDIED-FQEVSTJZSA-N 369.896 3.679 0 1 FHAF N[C@H](c1ccccc1)c1csc(NC(=O)NCCc2ccccc2)n1 61905447 DERQMGHMSXMSBX-QGZVFWFLSA-N 352.463 3.555 0 3 FHAF N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cnccn2)n1 61898897 KAMFAXAWGOPAQC-LBPRGKRZSA-N 365.384 3.938 0 3 FHAF O=c1[nH]c(-c2cc(Cl)ccc2O)nn1-c1ccc(C(F)(F)F)cc1 35242361 ZOOQSLLVAOEAPI-UHFFFAOYSA-N 355.703 3.605 0 1 FHAF CC(C)=CC[C@@H](O)[C@@H](C)CCC/C(C)=C/CC[C@@H](C)C[C@H](O)[C@H](N)CO 34171472 ASNURABVVXFZSH-CMEQALDQSA-N 369.590 3.943 0 1 FHAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(C)c(C)cc32)c1 40379434 LUJSCDULULYEGE-LJQANCHMSA-N 351.402 3.689 0 1 FHAF CN(c1ccccc1)c1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 222381981 GYTXVBJMXPKSOG-UHFFFAOYSA-N 369.428 3.679 0 1 FHAF COc1cnc2c(Nc3cccc([C@]4(C)COCC(N)=N4)c3)cccc2c1 143072282 IGUZINVHWNCBIH-NRFANRHFSA-N 362.433 3.590 0 1 FHAF O=C(N[C@H]1CCC[C@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1ccncc1 95587701 DYZFVEGUTIJBOD-FXAWDEMLSA-N 369.852 3.623 0 1 FHAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccoc4)n3)ccc21 95755415 NBJRPVWPPOKJBH-UHFFFAOYSA-N 367.430 3.955 0 1 FHAF Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCCCO 96938970 LUMPTEIXGWRLQQ-UHFFFAOYSA-N 371.431 3.988 0 1 FHAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 96283431 RIGDHZDQFISNAD-MDWZMJQESA-N 364.426 3.566 0 1 FHAF Nc1ccc(/C=C\c2nc3ccc(I)cc3[nH]2)cc1 261079573 BMOJEFBWGAWJML-BAQGIRSFSA-N 361.186 3.920 0 1 FHAF C[C@@]1(c2cccc(CO)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611294 RZPLTJPMPLKIKN-UGKGYDQZSA-N 362.381 3.762 0 1 FHAF CN1CCN(c2ccc3nc([C@@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)CC1 587163576 RRHIMXKSDMZFAD-QZTJIDSGSA-N 350.441 3.725 0 1 FHAF Clc1ncc(I)c2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12 587966454 GHKIIZQXNHBEEM-XLPZGREQSA-N 371.609 3.896 0 1 FHAF C[C@]12CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]1O2 587360324 UVYSKPOTFHHREW-ZIBCJSCZSA-N 354.377 3.970 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(CCO)cc2[nH]1)C(C)(C)C 587206927 YXGVPANQJAYMCU-INIZCTEOSA-N 361.486 3.580 0 1 FHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)cnc4[nH]3)cc2N1 587126694 MCKUMAJICBCBBW-LHLIQPBNSA-N 356.739 3.782 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)OCC(=O)N3)CC2=O 587485635 PTXSWSLMYVWLJZ-NRFANRHFSA-N 367.401 3.556 0 1 FHAF COc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1F 586997787 UXZWCYGLIVTZRR-GFCCVEGCSA-N 364.218 3.716 0 1 FHAF O=C(O)c1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1F 587231647 DCRWIJWIIQTYNO-UHFFFAOYSA-N 365.364 3.950 0 1 FHAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CCC[C@H]1CC(C(=O)O)C2 587487696 HOEFGJSRLXBJEF-LZPWWVKNSA-N 358.434 3.960 0 1 FHAF Oc1ccc(OCc2ccccc2)cc1-c1nc2c(Cl)ncnc2[nH]1 587781620 AWJMUBZCKDYLGN-UHFFFAOYSA-N 352.781 3.958 0 1 FHAF COC(=O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587133940 FRERUTGESARVPM-UHFFFAOYSA-N 356.300 3.862 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccnn2C)N1 587761179 TUZDDVSICCSUOX-ASEWXKAYSA-N 364.262 3.785 0 1 FHAF COc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2n1 587116395 VPDGLAJLXKWDLW-UHFFFAOYSA-N 373.132 3.810 0 1 FHAF COC(C[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC 587789439 CSPSSLSSYKMTIA-APPDUMDISA-N 374.294 3.983 0 1 FHAF CCOc1c(-c2cc(OC)c(OC)c(OC)c2)oc2ccccc2c1=O 1772593825 KBAKOBUSIGJZQM-UHFFFAOYSA-N 356.374 3.885 0 1 FHAF CCn1nc(C)cc1C(=O)N1CCC[C@H](C(=O)c2ccccc2SC)C1 12431057 SUMRVKMMIHOPRV-HNNXBMFYSA-N 371.506 3.668 0 3 FHAF Cc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)c[nH]c2c1 13731216 QGVAEWBRFSNZBU-UHFFFAOYSA-N 368.525 3.802 0 1 FHAF O=C1c2c(O)cccc2C(C(=O)CCc2ccc(O)cc2)c2cccc(O)c21 13732242 BXBHHHFQVYLVCG-UHFFFAOYSA-N 374.392 3.682 0 1 FHAF Cc1nc(-c2cccc(CSc3nnc(-c4ccncc4)o3)c2)no1 14946127 QQLHUYQKOHVBKE-UHFFFAOYSA-N 351.391 3.782 0 1 FHAF C[C@H](N)C(=O)Nc1nc(COc2ccccc2)c(Cc2ccccc2)s1 14951980 SNMREYXKHOXAHO-AWEZNQCLSA-N 367.474 3.599 0 1 FHAF CCCCC[C@@H](O)CO[C@H]1[C@@H]2C[C@H](N=N2)[C@@H]1CCCCCCC(=O)O 169314877 SWLJVTZGLZBTFR-NLEPDTAZSA-N 354.491 3.961 0 1 FHAF C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(F)cc2O)cs1 1857607420 KXBRSXLOEIFLBR-UHFFFAOYSA-N 359.382 3.670 0 1 FHAF CO[C@@H]1OC(=O)C(Br)=C1Nc1ccc(-c2ccccc2)cc1 1857640274 TXDIHDJPABOLNA-QGZVFWFLSA-N 360.207 3.901 0 1 FHAF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@]32O)C1 2356315765 JQRLVXRTTRZQBF-YZVJXJGGSA-N 350.499 3.702 0 1 FHAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CC=CC1 3797370 MKUSUAHBXSHVJF-HNNXBMFYSA-N 353.293 3.789 0 1 FHAF COc1ccc(CNC(=O)Nc2nc([C@@H](N)c3ccccc3)cs2)cc1 61902919 CGHHXFCNYIBMOC-KRWDZBQOSA-N 368.462 3.522 0 3 FHAF Fc1cc(F)cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 66251252 UHMWXISCXFLVSK-UHFFFAOYSA-N 364.465 3.938 0 1 FHAF CC=C(C)C(=O)OC(C)(C)[C@H]1Cc2c(cc3oc(C)cc(=O)c3c2OC)O1 2356429096 KAGWZYJXIXLTRQ-QGZVFWFLSA-N 372.417 3.702 0 1 FHAF COc1ccccc1C(=O)n1ccc2cc(NC(=O)c3ccccn3)ccc21 66104345 GQRLDCRWANUDSO-UHFFFAOYSA-N 371.396 3.986 0 1 FHAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCc1cccc(F)c1 82203561 VSSJINZJAYFUHO-UHFFFAOYSA-N 369.488 3.601 0 1 FHAF Nc1cnc(-c2ccc(-c3ccccc3Oc3cc(N)ncn3)cc2F)cn1 224770937 MEKCOFQXVIGGJW-UHFFFAOYSA-N 374.379 3.696 0 1 FHAF CC(=O)Nc1cc(-c2cc3c(s2)C2(CCCCC2)CNC3=O)ccn1 84617798 CDVWUEFATOLRSF-UHFFFAOYSA-N 355.463 3.714 0 1 FHAF Cc1nc2nc(N(Cc3ccccc3)Cc3ccccc3)ccc2[nH]c1=O 82231405 SMDPKVKDMWHHDU-UHFFFAOYSA-N 356.429 3.833 0 1 FHAF Cc1cc(C)c(OCCCCCCN2CCNCC2)c(Br)c1 84742341 REQTVRZEQBBIQG-UHFFFAOYSA-N 369.347 3.910 0 1 FHAF O=C(N[C@@H]1CCC[C@@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1ccccn1 95590586 WULJJNIUCIHCRO-UZLBHIALSA-N 369.852 3.623 0 1 FHAF CCOC(=O)[C@@H]1Nc2ccccc2Sn2c(Br)ccc21 96908742 CIXLLWRCEKSSRG-CYBMUJFWSA-N 353.241 3.836 0 1 FHAF Cc1ccccc1-n1cc(CC(=O)NCc2ccc(F)cc2Cl)cn1 95565731 WWUVYPIINCGEHT-UHFFFAOYSA-N 357.816 3.832 0 1 FHAF CCOCCN(CC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)NCCCc1ccncc1 253651100 KRSDJLKUOZHTKR-PCCBWWKXSA-N 373.541 3.889 0 1 FHAF CC(C)CN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582191 KQEXQUGZEYWIBF-IBGZPJMESA-N 367.445 3.844 0 1 FHAF CCOC(=O)/C=C(\C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587795391 ISEJRBKTDLVJAQ-KKOOSNQGSA-N 356.235 3.673 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccccc1F)CC2=O 587468995 ZMXABCVCSMAXOA-NRFANRHFSA-N 372.392 3.908 0 1 FHAF Cc1c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076256 SMUDOGFYHWKXSN-UHFFFAOYSA-N 364.796 3.959 0 1 FHAF COc1cc2c3c(c1)O[C@@](C[C@@H](C)C(=O)O)(c1cccc(F)c1)[C@@H](C2)C3=O 587426600 FERDOMBYUIDZDQ-DBLBYYFGSA-N 370.376 3.588 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4)nc1C)[C@@H](C2)C3=O 587435086 BOTKOSYTYZKTQH-HRAATJIYSA-N 358.397 3.949 0 1 FHAF COC(=O)[C@H](C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350450 KIWPXVIPYFCBGL-HXGDPMPDSA-N 372.392 3.848 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)([C@@H](C)CC(=O)O)O2 587384383 LCSJUUBPEUMGHR-YUNKPMOVSA-N 357.381 3.688 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(C(C)(C)C)cc21 587398964 GYOOBGUILZJMAV-OAQYLSRUSA-N 350.418 3.688 0 1 FHAF CC(C)OC(=O)C1(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC(F)(F)C1 587130675 OHDPYZSLQFPCRU-UHFFFAOYSA-N 363.286 3.595 0 1 FHAF Cc1nc(O)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587774553 WIOVZSCORBXMHK-XLFHBGCDSA-N 365.246 3.795 0 1 FHAF Cc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587608601 LTLYSJIGQCEZAI-NQIIRXRSSA-N 364.353 3.815 0 1 FHAF Cc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1C 587114134 ZRKDWBSRVFITLN-UHFFFAOYSA-N 372.354 3.900 0 1 FHAF COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)C5CC5)[nH]c4c3)o2)cc1 587256068 XTKDZKLBPIHGSF-QGZVFWFLSA-N 361.405 3.698 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nn(-c4ccccc4)cc31)O2 587392712 WICXJZYRIWPUDL-JOCHJYFZSA-N 359.429 3.960 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3cncn3)cc1)CC2=O 587480872 WQVHJVPBBKVCJO-OAQYLSRUSA-N 363.417 3.806 0 1 FHAF COC(=O)c1ccc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 587927301 SCQLKNBXTJREQB-LBPRGKRZSA-N 354.406 3.713 0 1 FHAF Cc1ccnc2[nH]cc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c12 962731457 SCSJPUQLXOPHER-GDBMZVCRSA-N 359.351 3.606 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CC[C@H]3[C@H](C(=O)NCC(C)C)[C@H]32)N1 962951601 UERDTYIVGJJPTQ-HRYQHRAESA-N 365.521 3.716 0 1 FHAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc(Br)ccc12 1772597192 SRVNUVYDBSUDCU-UHFFFAOYSA-N 363.255 3.573 0 1 FHAF CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccc(OC)cc1)C2=O 13779810 NDCHZUCLIAQWCF-UHFFFAOYSA-N 365.408 3.785 0 1 FHAF CC(=O)O[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)C(=O)C=C1CO 14948757 XWNYJTMVXNAWFA-YHBROIRLSA-N 360.494 3.979 0 1 FHAF biogenic CCCCC[C@](C)(O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C/C[C@@H]21 169290094 ZTMJVNGXHMSKDT-QIZSWEPYSA-N 350.499 3.913 0 1 FHAF CC1=NC(=O)N[C@@H](c2ccc(OC(C)C)cc2)[C@H]1C(=O)OC1CCCC1 169719425 IADSWZBNUQKRFR-ROUUACIJSA-N 358.438 3.801 0 1 FHAF CCOC(=O)C1=C(c2ccc(F)cc2)N=C(C)[C@@H](C(=O)OCC)[C@H]1CC 169721225 CBTSGEJMBLQMDM-HZPDHXFCSA-N 361.413 3.780 0 1 FHAF CC[C@H]1c2ccccc2CN1CNC(=O)c1cc(Cl)c(N)cc1OC 28235553 AWWIFOAEXIJMIZ-KRWDZBQOSA-N 359.857 3.585 0 1 FHAF O=C(NCC1(CO)CCCCC1)c1nc2c(-c3ccccc3)cccc2[nH]1 103268373 PNFMPRQJWUBQQL-UHFFFAOYSA-N 363.461 3.903 0 1 FHAF COc1ccc([C@@](O)(Cn2ccnc2)c2ccc(Br)cc2)cc1 26848304 MVWUHFDPTGUSML-GOSISDBHSA-N 373.250 3.590 0 1 FHAF N=C(N)CCCC[C@H]1C(=O)O[C@H]2Cc3cc(-c4ccc(O)cc4)ccc3[C@@H]21 27435628 FZYOVJMSINAIHT-SVFBPWRDSA-N 364.445 3.737 0 1 FHAF O=C(O)C1=CC[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356400637 FIWGUWJZNRWGNC-MLDDVIESSA-N 350.414 3.673 0 1 FHAF CCNC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29413160 BQWMLHMOZSVPKK-WJZKMHRBSA-N 360.542 3.602 0 1 FHAF CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3cccc(OC)c32)C1(C)C 27441087 MPNUBKWLWLDCCY-ICSRJNTNSA-N 354.470 3.827 0 1 FHAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3oc4ccccc4c3C)C[C@H]12 74378674 TVHZPSDZERZFAC-HKUYNNGSSA-N 360.413 3.925 0 3 FHAF CC(=O)OC[C@]12C(=O)C[C@H](C)[C@](C)(CCc3ccoc3)[C@@H]1CCC[C@@]21CO1 14971864 FHWOANGPYCUZLI-IKRQRYTESA-N 374.477 3.946 0 1 FHAF biogenic NC1=N[C@@](c2cccc(-c3cccnc3)c2)(C2CC2)C(=O)N1C1CCCCC1 218764690 XDWUXRTXFPUVJX-HSZRJFAPSA-N 374.488 3.844 0 1 FHAF CN1C(=N)N[C@](CC2CC2)(c2cccc(-c3cccc(Cl)c3)c2)C1=O 84605135 PKPHSCAXKJAHAV-HXUWFJFHSA-N 353.853 3.999 0 1 FHAF C=Cc1cccc(S(=O)(=O)NCCOc2cccc3ccccc23)c1 220460817 YPHIRPUTIQFITI-UHFFFAOYSA-N 353.443 3.840 0 1 FHAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccc(F)cc3)ccc12 96905953 HJCZWJROPURFIY-IBGZPJMESA-N 354.406 3.754 0 1 FHAF Cc1ccnc([C@@H](C)O)c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144452375 PZTMYTIVXKJTBY-JLZZUVOBSA-N 365.408 3.955 0 1 FHAF COc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@@]3(C(F)(F)F)C2=O)cc1 28536226 LPKIBKLFJSUMMO-YOEHRIQHSA-N 353.340 3.864 0 1 FHAF biogenic CC(=O)c1nc(C(=O)NCCc2ccccc2)cc2c1[nH]c1ccccc12 73197744 QPUYCBSQXKSFOO-UHFFFAOYSA-N 357.413 3.891 0 1 FHAF biogenic CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299878974 KALISVBWZTZWPV-JCHJZTRSSA-N 362.470 3.713 0 1 FHAF O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 473136171 YRESUHIIOUKHBO-UHFFFAOYSA-N 363.248 3.524 0 1 FHAF CNc1nc2ccccc2n2c(-c3ccc(OC)c(OC)c3OC)cnc12 653747405 IMAKOIJHWXITHT-UHFFFAOYSA-N 364.405 3.617 0 1 FHAF Fc1cccc(-c2cnc3cnc(-c4ccc(N5CCNCC5)cc4)cn23)c1 653763584 XTCMKSZDACZXRM-UHFFFAOYSA-N 373.435 3.612 0 1 FHAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441263 JPASEQJUEHTONQ-WIEQDCTASA-N 358.434 3.571 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCN(C)CC2)N1 587765755 DEZHQEWKEUJDFF-PIGZYNQJSA-N 355.295 3.679 0 1 FHAF Cc1ccc(-n2ccnc2SCc2nc3c(N)ccnc3[nH]2)c(C)c1 586966227 KDXINRVGIRHRMN-UHFFFAOYSA-N 350.451 3.635 0 1 FHAF CCC[C@@]1(c2cc3c(cc2N)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 587389275 JWOYPGUSSLOUQN-NRFANRHFSA-N 368.433 3.591 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(O[C@H](C)C(=O)O)c1)CC2=O 587479650 CNPOECQCYWFMMV-CWTRNNRKSA-N 370.401 3.903 0 1 FHAF C[C@H](O)[C@@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587847147 JKGSRFPHKYJYAD-LSYCYVAJSA-N 370.287 3.808 0 1 FHAF CCc1cc(O)nc(SCc2nc3c(Cl)c(Cl)cnc3[nH]2)n1 586966246 CAEVQNPSIDCLBC-UHFFFAOYSA-N 356.238 3.615 0 1 FHAF COC(=O)c1cc(Cl)c2nc(C(=O)Nc3ccccc3Cl)[nH]c2c1 587060472 MZNOIEVMNQUCER-UHFFFAOYSA-N 364.188 3.909 0 1 FHAF CS(=O)(=O)/C=C\c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586927702 VOKZVIJLYYXJKY-HJWRWDBZSA-N 355.444 3.855 0 1 FHAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C2CC2)n1 587582406 PHRSPBLKDHYCSC-UTKZUKDTSA-N 362.385 3.706 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)cccc1-n1ccnc1)O2 587382071 NTPMNZBMWVUMGL-HXUWFJFHSA-N 351.381 3.783 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)on1 587862244 JGTZIIREVVYXNB-UHFFFAOYSA-N 351.284 3.562 0 1 FHAF Brc1cncc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587017739 YLZBJBKMEFTKFW-SNVBAGLBSA-N 351.229 3.695 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587036555 GCBGYLNSULZBKH-ZDUSSCGKSA-N 362.838 3.921 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](C(=O)O)C2)N1 587827094 NMPIYVKLQDHJNS-LYGAQUJYSA-N 356.235 3.593 0 1 FHAF CC(C)N1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347270 UFZMLBDBKPDPHL-PZJWPPBQSA-N 355.409 3.743 0 1 FHAF COc1nccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587017039 HMPRWMDFXUGYGT-UHFFFAOYSA-N 374.429 3.804 0 1 FHAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Br)cnc3[nH]2)cc1 587935244 HIHAJBPLVSPHEZ-XPTSAGLGSA-N 362.227 3.566 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(F)cc1 587868343 KSEHINWMHMSGJD-UHFFFAOYSA-N 365.286 3.800 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C(F)(F)F)nn(C)c1Cl)O2 587381325 FQWUWNFDAQJYSB-OAHLLOKOSA-N 373.762 3.864 0 1 FHAF C[C@]1(CC(=O)Nc2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514899 XLPIPGUGDMCRDV-OAQYLSRUSA-N 350.418 3.713 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@H]([C@H]2NCCc3cnc4c(OC)cccc4c32)C1 963047435 QBAAOFMKLJDYFM-BXTJHSDWSA-N 368.477 3.800 0 1 FHAF COc1ccc2c(c1)c(CNC(C)=O)cn2C(=O)c1ccc(Cl)cc1 1772593493 MRBOZXKARHNOMR-UHFFFAOYSA-N 356.809 3.628 0 1 FHAF COc1ccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)cc1 1772612992 OXEWCLDNMVANSV-UHFFFAOYSA-N 367.434 3.592 0 1 FHAF O=C1CC[C@](CCC(=O)N2CCCCCC2)(Cc2ccc(Cl)cc2)N1 12166507 WVTVJRYJPXWDTJ-FQEVSTJZSA-N 362.901 3.714 0 1 FHAF COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3 13797325 FQUAMQVHJRRKLA-IQOKHDRSSA-N 374.484 3.795 0 1 FHAF CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCOCC2)cc1 13803487 HXDJHYKSRHALMQ-OAQYLSRUSA-N 352.478 3.590 0 1 FHAF COc1ccc(-c2oc3cc(OC)c(C)c(O)c3c(=O)c2OC)cc1OC 14647585 AWXHAWRTEQFRHZ-UHFFFAOYSA-N 372.373 3.508 0 1 FHAF biogenic CCCN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28132800 XUXSSEOXGMXCQS-UHFFFAOYSA-N 361.873 3.732 0 1 FHAF O=C([C@@H]1C[C@H](Nc2cccc3ccccc23)CN1)N1Cc2ccccc2C1 40421800 WARLRLQWEAJUET-UGKGYDQZSA-N 357.457 3.525 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCCC5)C[C@@]43C)[C@@H]1CC[C@@H]2O 40430881 QOPTVIIBXMLNRI-NQBGTIOHSA-N 361.570 3.825 0 1 FHAF COc1ccc(-c2ocnc2C(=O)NCc2ccnc(C)c2)cc1Cl 73294447 FYPBWYRJVFZUDM-UHFFFAOYSA-N 357.797 3.637 0 1 FHAF CN(C)C(=O)O[C@H](c1cnccc1C(F)(F)F)c1cccc2c1OCO2 103189018 OGQJQLHVKOXORV-AWEZNQCLSA-N 368.311 3.617 0 1 FHAF Cn1/c(=N/C=C/c2sc3ccc(F)cc3[n+]2C)sc2ccccc21 169323928 PVSNTEVZHCBOCG-UHFFFAOYSA-N 356.471 3.990 0 1 FHAF CCOc1ccccc1NC(=O)[C@H]1C(C)=NC(=S)N[C@H]1c1cccs1 169689675 OUHVJPNDVBKZNQ-HOTGVXAUSA-N 373.503 3.792 0 1 FHAF CCOc1ccc(C[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)O)cc1 253798344 SYGAZOVHPXYSAU-ZHALLVOQSA-N 361.482 3.660 0 1 FHAF Oc1nc2ccsc2c(N[C@@H]2CCCNC2)c1-c1nc2ccccc2[nH]1 299830121 MRBNLCLXWRXFJX-LLVKDONJSA-N 365.462 3.709 0 1 FHAF Cc1nccc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 587019197 VBPMLQQTXNLCHU-UHFFFAOYSA-N 364.430 3.752 0 1 FHAF Cc1cc(F)c2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 587196938 DAWCPMICERKEKC-ZDUSSCGKSA-N 363.433 3.927 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CC3(CCN(C(=O)OC(C)(C)C)C3)C1)O2 587398440 HENBSDJZKXZGSZ-UHFFFAOYSA-N 372.465 3.702 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)C(F)(F)F)cc1)[C@@H](C2)C3=O 587422346 TXZIFPWVFWBODU-GUYCJALGSA-N 362.303 3.929 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC(=O)O)c1)CC2=O 587486111 YGJDSTKBWDYSEX-SFHVURJKSA-N 356.374 3.515 0 1 FHAF COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587523437 IWJLSFUIMGQGHL-LJQANCHMSA-N 352.386 3.764 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(O)c1 587611803 UFKKXWKDEDXGRB-XLIONFOSSA-N 350.326 3.506 0 1 FHAF C[C@@H](Cc1ccnn1C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587762150 XHRPINFRDKLIJZ-WVQJBOLRSA-N 366.278 3.776 0 1 FHAF CC(C)OC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792647 LTDBDRDNSSDBTQ-HWPZZCPQSA-N 358.251 3.679 0 1 FHAF CCOC(=O)[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587794155 GBMZXAMLICUUJT-LSYCYVAJSA-N 358.251 3.537 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(C(C)(C)C)no2)N1 587798892 XIYWNDRYNCZBAO-ISVAXAHUSA-N 368.250 3.892 0 1 FHAF CCC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804210 DAGNVSVLKYTJKA-MGPLVRAMSA-N 358.251 3.681 0 1 FHAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587828968 PJANGSNKXMWGFT-GLEZIHRCSA-N 368.202 3.591 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COCc3ccccc32)N1 587836722 XPNZJXXLHYGJCD-ZMZPIMSZSA-N 362.242 3.896 0 1 FHAF COc1cccc(-c2cn3c(NC(=O)Cc4ccsc4)cnc3cn2)c1 653680466 OWFPGWYPRRLLGC-UHFFFAOYSA-N 364.430 3.648 0 1 FHAF COc1ccc2c(c1OC)[C@](C)(CC(=O)N1CCCC[C@H]1C)N(C)[C@@H](C)C2 962628463 MIMKBSWCAHKQTN-VVBPWWLESA-N 374.525 3.587 0 1 FHAF CN1C(=O)C[C@H]2CN[C@](Cc3ccccc3)(c3cccnc3)c3cccc1c32 963035628 SHWSMRGPOPSQRG-MHECFPHRSA-N 369.468 3.621 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCC(=O)O)C1CCCCC1 963631409 DHNHOXMXVGABST-SZNDQCEHSA-N 361.482 3.878 0 1 FHAF CNC(=O)c1c[nH]c(-c2ccccc2)cc1=Nc1cccc2ncccc12 1772606834 SQGZGAWKXIVDBW-UHFFFAOYSA-N 354.413 3.822 0 1 FHAF CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1C(C)C 4388888 AASKXWWMUDSDHE-UHFFFAOYSA-N 361.467 3.558 0 3 FHAF COC(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccc(OC)cc2C)no1 61904115 XJBQORSXUFHTOS-MRXNPFEDSA-N 373.409 3.537 0 3 FHAF C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2n1 13797537 AUDDREUYBAHNSP-UHFFFAOYSA-N 370.210 3.655 0 1 FHAF COc1ccc(C(=O)[C@@H](C)[C@@H](C)C(=O)c2ccc3c(c2)OCO3)cc1OC 14760165 AHYFOLSREXSDSJ-QWHCGFSZSA-N 370.401 3.770 0 1 FHAF biogenic Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCN(C)C)cc1 45347607 YAORVKBHKKFOES-HSZRJFAPSA-N 361.489 3.902 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]3CC[C@@H]12 58666035 YJVVSONFMRLWTH-HAXFGTAASA-N 359.510 3.926 0 1 FHAF COc1cc(/C=C/c2nc3ccccc3c(=O)[nH]2)ccc1-n1cnc(C)c1 66251127 KSXZNPPHBZLXHO-CSKARUKUSA-N 358.401 3.596 0 1 FHAF CCCOc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 72118790 SKDWWHNOJYOBPB-INIZCTEOSA-N 367.445 3.965 0 1 FHAF CN(C(=O)Cn1c(=O)oc2c(-c3ccccc3)cccc21)c1ccccc1 84742485 CKEASTBJJGXWIN-UHFFFAOYSA-N 358.397 3.925 0 1 FHAF COc1cc(C[C@H](C)[C@@H](C)[C@H](O)c2ccc(OC)c(OC)c2)ccc1O 86048012 JFLQMRNVZXYTAK-QTCYRWPVSA-N 360.450 3.966 0 1 FHAF biogenic CCS(=O)(=O)c1ccc2[nH]c(OCc3cccc(Cl)c3)nc2c1 95593116 JZVNMKYUMJAHJT-UHFFFAOYSA-N 350.827 3.589 0 1 FHAF CC(=O)Nc1nc2ccc(-c3cnc(N)cc3C(F)(F)F)cc2s1 96283487 YZRLFCWOTPRMSY-UHFFFAOYSA-N 352.341 3.918 0 1 FHAF CO[C@H]1CC[C@H]2CN(CCc3ccccc3)[C@@H]1CN2Cc1ccccc1 96318627 WYUPWHUGPAKEOJ-ZRBLBEILSA-N 350.506 3.593 0 1 FHAF N=c1c(Cc2cccs2)c[nH]c(=O)n1-c1ccc(Cl)cc1Cl 102225307 JHWNCTPUUAHZLM-UHFFFAOYSA-N 352.246 3.604 0 1 FHAF O=C1CC(=O)N([C@@H]2CCc3ccccc32)C(=O)N1[C@H]1CCc2ccccc21 102842859 NKESPPLEVGOHRA-KDURUIRLSA-N 360.413 3.542 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(C4CC4)cn3)C2)cc1 169709282 QUCCCPAKXLXSQS-YCRPNKLZSA-N 365.477 3.814 0 1 FHAF Fc1ccc(/C=C2\CNC[C@@H]3C2=NC(=S)N[C@@H]3c2ccc(F)cc2)cc1 169729943 XDEMWJWHQRINAV-OBNAIBOFSA-N 369.440 3.638 0 1 FHAF CCc1nccn1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986953 IFJDXYNHUMSOFP-UHFFFAOYSA-N 355.397 3.959 0 1 FHAF CN1CC[C@](C)(O)[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587104436 HJFOVYBLQAOPMR-JPYJTQIMSA-N 358.441 3.616 0 1 FHAF Fc1cc(CCc2nc3cc(Br)ncc3[nH]2)cc(F)c1F 587140325 ZEHCPZUTUMNTPR-UHFFFAOYSA-N 356.145 3.923 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C)c(Br)cn1)O2 587370009 AKHSMARUCIHPIG-KRWDZBQOSA-N 361.239 3.924 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)c(F)c(C=O)c(F)c1F)O2 587381305 GQUOEDZTHIYKPN-NSHDSACASA-N 353.271 3.653 0 1 FHAF Cc1ccc(-n2nnc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587390814 JHFGWUYZBIKEKL-OAQYLSRUSA-N 362.433 3.655 0 1 FHAF CCOC(=O)[C@]1(c2cc(C)ccc2C)CC(=O)c2cc(C)cc(N)c2O1 587399022 HLEFKSXUIFYZPN-OAQYLSRUSA-N 353.418 3.618 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cncc3c(Cl)n[nH]c13)CC2=O 587458738 BAUBGHIQQFVPJJ-OAHLLOKOSA-N 357.797 3.976 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccco1)CC2=O 587479842 JQSPHIUEDRFUJP-HXUWFJFHSA-N 358.390 3.752 0 1 FHAF CN(C)/C=C/[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574562 XJVISPCHLUXZGF-MBQNMEIASA-N 351.402 3.578 0 1 FHAF CC[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCO1 587616414 JPRQRIQGACJICP-ZXALIEMXSA-N 354.402 3.928 0 1 FHAF CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Cl)cc1 587638597 OFURWFVSCPRQBT-UHFFFAOYSA-N 371.776 3.927 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnccc2N(C)C)N1 587751957 CFJFGQYNNIJFMJ-DYZYQPBXSA-N 364.262 3.673 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nccn3c2)N1 587775632 SNRAJPCTWMHIDM-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF CCC[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587798486 ONLZWGMAFYDRDT-QLJPJBMISA-N 358.251 3.681 0 1 FHAF CCC[C@@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587804209 DAGNVSVLKYTJKA-HWPZZCPQSA-N 358.251 3.681 0 1 FHAF Cc1ccc([C@@]2(CO)NC3(CC3)Cc3ccc(Br)cc32)cc1 961324746 NUGYXRYKBBNWBA-LJQANCHMSA-N 358.279 3.672 0 1 FHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(CCSc3c(Cl)cccc32)N1 962899031 NYSAUBWRAXIKAM-YJBOKZPZSA-N 363.841 3.817 0 1 FHAF CCOC(OCC)c1ccc([C@@H]2NCCc3c2c(C(C)C)nn3C)cc1 962918980 JJKVRTAWAFIPGD-FQEVSTJZSA-N 357.498 3.850 0 1 FHAF CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sc(C)c(C)c23)C1=O 1772609927 QMZMEJFJABYIMJ-UHFFFAOYSA-N 370.459 3.679 0 1 FHAF CCOC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)c2ccncc2)C=C1C 2356309390 BSTZJININODUKU-IPMKNSEASA-N 358.482 3.619 0 1 FHAF COC(=O)CCC(C)=C[C@H](O)C[C@@](C)(O)C=C[C@H](CCC(C)=O)C(C)C 2356617403 BPWLFOMOKYQCNL-ZJOUEHCJSA-N 368.514 3.586 0 1 FHAF COc1ccccc1-c1nnc(S[C@H](C)C(=O)O)n1-c1ccccc1 4959805 YOOZJGLRFZORPE-GFCCVEGCSA-N 355.419 3.508 0 3 FHAF O=c1nc(SCc2ccc(F)cc2)nc2n(-c3ccc(F)cc3)[nH]cc1-2 12732137 DPVZFCCCCXJSMH-UHFFFAOYSA-N 370.384 3.631 0 3 FHAF CC(C)NC(=O)[C@]1(C)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61925682 HFYLXDWNYVCYIZ-SFHVURJKSA-N 364.367 3.986 0 3 FHAF CC[C@@H](C)CNC(=O)CSc1nnc2scc(-c3ccccc3)n12 206492008 NVENHLAECATYSK-GFCCVEGCSA-N 360.508 3.712 0 3 FHAF CCCN(C(=O)Cc1c(C(=O)O)[nH]c2ccccc12)c1ccccc1F 2461803 UVSLQAKBDJNUAY-UHFFFAOYSA-N 354.381 3.991 0 1 FHAF O=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(C(=O)O)cc1Cl 3818698 OKSQDPONJDZBIN-UHFFFAOYSA-N 371.151 3.793 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 5071095 DLNNHWKVRRDIHN-IEBWSBKVSA-N 372.509 3.684 0 1 FHAF C[C@@](O)(C(=O)Nc1ccc(C(=O)c2cccc(Cl)c2)cc1)C(F)(F)F 13760216 NMZBPVVMHBQLOY-MRXNPFEDSA-N 371.742 3.823 0 1 FHAF CCc1ccc(CNc2ncnc3c(OC)c(OC)c(OC)cc23)cc1 13834086 SHVGSBYLBUWYAO-UHFFFAOYSA-N 353.422 3.830 0 1 FHAF Cc1ccccc1OC[C@H](O)CNC(C)(C)Cc1cc2ccccc2n1C 28124551 JVYPWIMDYUZMFN-HXUWFJFHSA-N 366.505 3.837 0 1 FHAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(F)c1)c1ccco1 35259291 FUTUOGNVZDUBLQ-OAHLLOKOSA-N 358.258 3.525 0 1 FHAF CNC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(CC1CC1)CC3 36221673 SGHKXPYOPVKZJP-SYYKKAFVSA-N 354.494 3.873 0 1 FHAF in-vivo O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 40847199 ZMIPLTFCRFYPCJ-UHFFFAOYSA-N 353.809 3.882 0 1 FHAF CC(C)(C)CCN1CCC[C@H](NC(=O)COc2ccc(F)cc2Cl)C1 66148217 CISQECDQGHTYPW-HNNXBMFYSA-N 370.896 3.875 0 1 FHAF COCCn1c(-c2ccc(C)o2)nc2c(NCc3ccccc3)ncnc21 82178498 RYPMNIINWACTRZ-UHFFFAOYSA-N 363.421 3.653 0 1 FHAF O=C1C(=O)N(Cc2ccco2)[C@H](c2cccs2)[C@H]1C(=O)c1cccs1 100275973 NEENZGLTVOMNJO-LSDHHAIUSA-N 371.439 3.554 0 1 FHAF CCN(CC)c1cncc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1 204752278 NIOMNUVZCQNZEN-UHFFFAOYSA-N 365.466 3.572 0 1 FHAF COc1cncc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586997104 AUJVZRHBTUOFOO-IHWYPQMZSA-N 374.194 3.628 0 1 FHAF Clc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)ccnc1Br 587007205 OBDZNCJZPCBLSH-UHFFFAOYSA-N 366.602 3.812 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587043666 SPPDXJCUDDYOIJ-JTQLQIEISA-N 358.389 3.597 0 1 FHAF FC(F)(F)CCc1ocnc1-c1nc2ccnc(Br)c2[nH]1 587091807 JISKXRYIOCBLOO-UHFFFAOYSA-N 361.121 3.870 0 1 FHAF COC(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1OC 587152283 LEXAPLAHHPSFCR-NEPJUHHUSA-N 358.344 3.907 0 1 FHAF C[C@]1(CCn2cccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345233 YWPFEBLFWASRQX-PZJWPPBQSA-N 366.392 3.936 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C(=O)OC(C)(C)C)c1C)O2 587392278 YILJYFZPOALYKG-MRXNPFEDSA-N 371.437 3.880 0 1 FHAF CCOC(=O)c1ccc(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398287 DHRIZHWWJZHCJO-OAQYLSRUSA-N 353.418 3.721 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(Cc4ccc(Br)cc4C1)[C@@H](C2)C3=O 587417448 KOSRDOWEGSCRRT-HNAYVOBHSA-N 371.230 3.743 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CN(Cc4ccccc4)C(C)(C)C1)[C@@H](C2)C3=O 587434610 BQAGXBSOYUYICB-FDDCHVKYSA-N 363.457 3.866 0 1 FHAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587436638 SPPBMCCFMMCXSH-DOXZYTNZSA-N 373.449 3.601 0 1 FHAF COCc1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587442774 LQHPUTBNLZDKNT-IIBYNOLFSA-N 354.402 3.513 0 1 FHAF COc1ccc2c(c1)OC=C(N)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511702 RPQPFMHHMZSQNF-QFIPXVFZSA-N 363.413 3.627 0 1 FHAF CCCN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587770751 UBEYEFSEPBHQAR-GFCCVEGCSA-N 355.295 3.824 0 1 FHAF CCOC(=O)c1ccc2[nH]c(-c3ccc([C@H]4C[C@@H]4C(=O)OC)cc3)nc2c1 587785944 PVYKMFBIVRXQSN-CVEARBPZSA-N 364.401 3.683 0 1 FHAF COC(=O)C(C)(C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806475 JILLPALXOFDWFD-FVMDXXJSSA-N 358.251 3.537 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2OCO3)N1 587834285 KPRBNYQVAJEJAA-JDNHERCYSA-N 364.214 3.941 0 1 FHAF Cc1n[nH]c(C)c1[C@@H]1CCc2ccccc2N1C(=O)c1ccc(O)cc1O 653663449 PUHWWAJTHDKCGR-SFHVURJKSA-N 363.417 3.772 0 1 FHAF CC(=O)N1c2c(O)cccc2[C@@]23CCN4CCC[C@@]5(CCC[C@@]12CC5)[C@H]43 685935757 CEYYGKWFSIIYLP-LNRXMEIDSA-N 352.478 3.568 0 1 FHAF biogenic,in-vitro Cc1cc2c(cc1F)[C@](C)(c1c[nH]ccc1=NC(=O)OC(C)(C)C)NCC2 962303160 VIKZPBXMOVGDJK-OAQYLSRUSA-N 371.456 3.707 0 1 FHAF Cc1ccc2c([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c[nH]c2n1 962759679 CRJWUFFFAVNWHM-CVEARBPZSA-N 359.351 3.606 0 1 FHAF Cc1c(-c2ccc(N3CC[C@](C)(O)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772611771 XPWKHPOHPXGDSY-NRFANRHFSA-N 370.399 3.743 0 1 FHAF CC1(C)CC(Nc2nccc(=NCc3ccc(Cl)cc3)[nH]2)CC(C)(C)N1 1857555370 JKRBSIYNXLXTCR-UHFFFAOYSA-N 373.932 3.885 0 1 FHAF COC(=O)Cc1ccc(OCc2oc(-c3ccccc3OC)nc2C)cc1 1857753536 GWVLKHYLZIYXAO-UHFFFAOYSA-N 367.401 3.953 0 1 FHAF C[C@]1(CC(=O)O)[C@H](CC(=O)O)CC[C@@H]2[C@@H]1CC[C@]1(C)[C@H]2CC[C@]1(C)O 2356377618 GLMFZHFDUVUNOC-PATDWMKGSA-N 352.471 3.546 0 1 FHAF O=C(c1ccc2c(c1)ncn2C1CCCCC1)N1CCC2(CC1)OCCO2 2941133 HJTOTEORQKKDGS-UHFFFAOYSA-N 369.465 3.521 0 3 FHAF COC(=O)[C@@H]1[C@@H](OC2c3ccccc3-c3ccccc32)C[C@H]2CC[C@H]1N2C 100761075 JMAILUWJFFEWNB-PLBGURBNSA-N 363.457 3.797 0 1 FHAF Oc1ccc(C[C@H]2CNCCN2CCC23CC4CC(CC(C4)C2)C3)cc1 22929250 FKUGFZNBSHPYHT-YYCBCANDSA-N 354.538 3.815 0 3 FHAF COc1cc(C(=O)c2c[nH]c(-c3ccc(Cl)cc3)n2)cc(OC)c1OC 64527272 XDODKXXXAHTIRD-UHFFFAOYSA-N 372.808 3.987 0 1 FHAF CC[C@]12CCCn3c(C=O)c(C=O)c(c31)-c1ccccc1NC(=O)CC2 26247691 HSCJUTWZXABGGS-OAQYLSRUSA-N 350.418 3.954 0 1 FHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccccc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c2ccccc2)C(=O)N[C@@H](C)N2CCCC[C@@H]21)C(C)C 34079782 FEKYBEXKIPSLIU-LSWJPFSZSA-N 371.569 3.764 0 1 FHAF Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(Br)cc2)n1 45188542 CEPFTOCQNNKQRI-UHFFFAOYSA-N 368.238 3.560 0 1 FHAF O=C(Oc1cccc(F)c1OC(=O)c1ccccc1O)c1ccccc1O 49073277 JSSIMOKTEKYUMS-UHFFFAOYSA-N 368.316 3.675 0 1 FHAF CC1CCN(C(=O)c2cnc(NCC3CC3)nc2-c2ccccc2)CC1 82133212 HFSJMWWFAALLIQ-UHFFFAOYSA-N 350.466 3.838 0 1 FHAF COc1cc(C(=O)N[C@@H](C)c2cc(F)cc(F)c2)ccc1-c1cn[nH]c1 221730366 HYPWCTFOMRALRT-NSHDSACASA-N 357.360 3.855 0 1 FHAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC[C@H](O)CCCCC2 196786330 XGZFGCRWBLVDFU-GOEBONIOSA-N 350.455 3.897 0 1 FHAF O=C(C[C@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccc2ccccc2c1 95573247 RNDONKSLYZHHCF-GOSISDBHSA-N 362.381 3.982 0 1 FHAF C[C@H]1CN(c2ccccc2Sc2ccccc2)[C@H](C)CN1CC(=O)O 253738418 RNWWELXCECAMRH-JKSUJKDBSA-N 356.491 3.821 0 1 FHAF CCCC[C@H](CC)CNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12 299834751 TZOGMSFSIZUEEN-LBPRGKRZSA-N 357.414 3.711 0 1 FHAF C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 138851036 VAMJZLUOKJRHOW-BCVKQIENSA-N 366.461 3.737 0 1 FHAF Nc1nccn2c(-c3cccc(NC(=O)c4ccc(F)cc4F)c3)cnc12 653698663 XJLMPEITKUCLAR-UHFFFAOYSA-N 365.343 3.509 0 1 FHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cncc(Br)c3[nH]2)cn1 587247760 SIHFJXHNXAOCFC-UHFFFAOYSA-N 374.242 3.767 0 1 FHAF COC(=O)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120542 OAPOWSOVDVSPQI-UHFFFAOYSA-N 360.295 3.912 0 1 FHAF C=Cn1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587763645 KWRRJNVSTSFBBA-FVMDXXJSSA-N 350.235 3.817 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3C)N1 587767738 JGHFXYIABGSMET-XODPVKTHSA-N 353.279 3.574 0 1 FHAF CCCc1sc(=N)[nH]c1-c1nc2cc(Br)cc(F)c2[nH]1 587013462 ORFGOUCCTDUDLA-UHFFFAOYSA-N 355.236 3.953 0 1 FHAF CCOC(=O)[C@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105914 HAVPHJBWSYQAAG-LJQANCHMSA-N 359.381 3.682 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn3nccc3c2)N1 587789865 AUDQDQVDFTYHFN-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF CCOC(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 587080133 AOXSTZFYYHPBLP-UHFFFAOYSA-N 371.824 3.994 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN3CCC[C@@H]32)N1 587789499 DOKBNRSFMRXVDQ-ZLENFMNRSA-N 353.279 3.576 0 1 FHAF COc1cccc(-c2cc(F)cc(-c3nc4c(O)nc(S)nc4[nH]3)c2)c1 587160031 CQLBBBRPDQSILQ-UHFFFAOYSA-N 368.393 3.829 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc3ccccn23)N1 587767335 AKMHHPTWZTXYMW-MGPLVRAMSA-N 360.230 3.860 0 1 FHAF CC[C@H](C(=O)OC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812374 YTSZTCZYXQQDDU-ZYSBLVPFSA-N 358.251 3.537 0 1 FHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncncc1Cl 587657565 XPINLDYJEKBTIH-UHFFFAOYSA-N 352.756 3.635 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)ccc(F)c21 587473296 ZPIUXJDVCLOQOQ-HXUWFJFHSA-N 355.365 3.605 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OC(C)C)[C@@H](C2)C3=O 587440603 PCNLOHCKMOFMSN-YWZLYKJASA-N 354.402 3.980 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn3ccnc23)N1 587774329 MMTJSTYXBKLAGN-MGPLVRAMSA-N 360.230 3.860 0 1 FHAF COC(=O)c1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587234196 XILGLTPYBFEUIR-QWHCGFSZSA-N 359.426 3.510 0 1 FHAF Cc1nc(-c2cccnc2)sc1[C@H]1NCCc2c1c(C(C)C)nn2C 962924002 ZWAQEBBPCYRJIW-KRWDZBQOSA-N 353.495 3.606 0 1 FHAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CCC[C@H](O)C2 961746371 DBQIWBRASDVLIW-KSFYIVLOSA-N 372.509 3.968 0 1 FHAF O=C(O)c1csc(-n2nc(-c3ccc(F)cc3)cc2C(F)(F)F)n1 1772637014 QJOXPOLQKMNMLN-UHFFFAOYSA-N 357.288 3.852 0 1 FHAF CCOc1cccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1 1772587124 QIMKTIRSJFNTJT-AOMKIAJQSA-N 368.477 3.940 0 1 FHAF CC1(C)CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nncn32)C1 1772604957 PESAIDOFLDTKLH-UHFFFAOYSA-N 350.447 3.610 0 1 FHAF COc1ccc(-c2cc(=O)c3cc(OC)c(OC)c(OC)c3o2)cc1F 13554004 ZMPFPACONAEPTF-UHFFFAOYSA-N 360.337 3.634 0 1 FHAF COc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3C)C2)n1 1344088 YAJMLFPBCSAPPU-CQSZACIVSA-N 374.872 3.611 0 3 FHAF CCOC(=O)[C@@H](Cc1cncn1CC)Nc1nc2cc(C(C)C)ccc2o1 28015972 PDSXEULOEHKDEA-QGZVFWFLSA-N 370.453 3.754 0 1 FHAF CCOC(=O)[C@@H]1CCCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 61926460 YRUCZOWKKBOBMA-MRXNPFEDSA-N 372.490 3.924 0 3 FHAF O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1SCCN1Cc1ccccc1 66263792 XWWMVYHTOGAMTF-XWYJBKDPSA-N 356.535 3.502 0 1 FHAF COc1c(O)cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1C=C(C)C 2356475937 VYUGTQZBYDILQF-QGZVFWFLSA-N 356.374 3.942 0 1 FHAF CC=C(CN(C)C)[C@@H]1CC(=O)c2[nH]c3ccccc3c2C=C[C@@H]1C(=O)OC 2356736970 GAEVJZYUDKVBCT-ROUUACIJSA-N 366.461 3.681 0 1 FHAF CCN(CC)C(=S)NCCCNc1ccnc2cc(Cl)ccc12 64446962 CKJVOWCBMGXDNO-UHFFFAOYSA-N 350.919 3.907 0 1 FHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 38544547 HVYKDVIWDWBQOJ-NUSLZGIJSA-N 374.569 3.992 0 1 FHAF COC(=O)CCCCCCC[C@H](O)[C@@H](O)CCCCCCCC(=O)OC 13336109 OMYZAYMSFKGQEX-ROUUACIJSA-N 374.518 3.516 0 1 FHAF biogenic COc1ccc(Cn2nc(C)cc2CC(=O)c2c(F)cccc2F)cc1 45257328 HEVRXIDXFLRVDO-UHFFFAOYSA-N 356.372 3.952 0 1 FHAF O=C(Cc1ccccc1)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 198422146 XJHRZIVGSPMPFJ-SFHVURJKSA-N 367.399 3.887 0 3 FHAF COc1ccc([C@@]2(C)OC(c3nc(C(C)C)cs3)=NN2C(C)=O)cc1 49111708 QYOFXQTUQNUWSV-GOSISDBHSA-N 359.451 3.688 0 1 FHAF Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N(C)C)cc3)n2)n1C(C)C 45498404 GLDNWRDDANDORD-UHFFFAOYSA-N 364.453 3.675 0 1 FHAF COc1cccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)c1 140213009 SRGSUXNYDDTNPH-UHFFFAOYSA-N 369.428 3.699 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@@H]1c1ccc(OC)c(OC)c1 653820951 AFFOTHHVEPRFPM-ULQDDVLXSA-N 360.431 3.541 0 1 FHAF C[C@]1(c2cc[nH]c(=N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335764 MEYGFJIJZIOZMU-TZIWHRDSSA-N 364.376 3.613 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2n[nH]cc2c1 587594141 KMNOYSGIJVBIPJ-NQIIRXRSSA-N 358.353 3.971 0 1 FHAF CCOc1ccc(CN(C)C)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428617 LALOUOGMKQPGQH-VGSWGCGISA-N 367.445 3.644 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)OC(C)(C)C)N1 587756280 QTVKUHUMUUQASC-XPTSAGLGSA-N 373.266 3.688 0 1 FHAF COC(=O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1OC 586907252 LAEPGZRTHZRTBG-UHFFFAOYSA-N 350.374 3.890 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C)(C)[C@H]2CC[C@@]1(C(=O)O)C2 587478245 ADWABHHVKJOBOG-ALHNEKMOSA-N 358.434 3.960 0 1 FHAF O=C1C[C@](C(=O)O)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587528278 YNZHHPIBMFAGTN-JOCHJYFZSA-N 361.397 3.992 0 1 FHAF Cc1cc(Br)ccc1OCc1nc2c(Cl)ncnc2[nH]1 586981956 XNJFWFBKCOBBEB-UHFFFAOYSA-N 353.607 3.656 0 1 FHAF Cc1cc(Cl)cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587162820 DWWKBIMXTWVRHK-UHFFFAOYSA-N 370.815 3.942 0 1 FHAF CC(C)(C)OC(=O)N1CCOC[C@@H]1Cc1cc2c3c(cccc3n1)CC2 587212754 QSCIUYHMQJGJPY-KRWDZBQOSA-N 354.450 3.512 0 1 FHAF Cc1cc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c(C)n1 587001872 HVUTXYNAGNRTCC-UHFFFAOYSA-N 370.254 3.930 0 1 FHAF Brc1cncc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587036902 PFMMJYDVHKUPJI-LLVKDONJSA-N 350.241 3.638 0 1 FHAF COC(=O)c1cc2nc(C[C@@H](C)N(C)C)[nH]c2c(F)c1Nc1ccccc1 587190542 IIJWGSIIXIJJLY-GFCCVEGCSA-N 370.428 3.725 0 1 FHAF CC[C@]1(c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587753547 BDBASXQKHAVWRQ-DYZYQPBXSA-N 366.278 3.818 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(N)cc1 587861780 CNGHDRRRMZTMGF-UHFFFAOYSA-N 361.323 3.848 0 1 FHAF COc1ccc(C=O)c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)c1OC 587785682 FEKPJNODNDMSAU-UHFFFAOYSA-N 352.177 3.761 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(C=COc3cc(C(=O)O)ccc32)N1 962946366 LVJVACPGKUKTMK-RCDICMHDSA-N 360.413 3.940 0 1 FHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc3ccccc3[nH]2)N1 962961508 SADBQGXKVXJKGA-YOEHRIQHSA-N 362.763 3.788 0 1 FHAF Cc1ncoc1C(=O)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 12430999 QSPIIEFDVQONKZ-ZDUSSCGKSA-N 366.339 3.737 0 3 FHAF Cc1cc(N)nc(CCc2c(F)c(F)cc(CCCN(C)C)c2F)c1 1857555973 ZAJCMGYRPZNQGR-UHFFFAOYSA-N 351.416 3.669 0 1 FHAF C[C@@H](NC(=O)N1C(=O)C[C@@H]1SCC(=O)c1ccccc1)c1ccccc1 6494424 NFOKGPFWOJHSOP-KUHUBIRLSA-N 368.458 3.632 0 1 FHAF O=C(NCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1 13762318 QXXSJVZBKIQIJR-UHFFFAOYSA-N 364.276 3.503 0 1 FHAF CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1C 14965045 ZGIITWWNJLBTTF-UHFFFAOYSA-N 365.426 3.976 0 1 FHAF O[C@](Cn1ccnc1)(c1ccc(F)cc1)c1cccc(Br)c1 26939299 GXUKZAQOKYZIBB-QGZVFWFLSA-N 361.214 3.721 0 1 FHAF OC[C@H]1C[C@@H](Cn2cnc3c(-c4ccccc4)ncnc32)c2ccccc21 28636615 ZDZSPAHZWYOZNN-DLBZAZTESA-N 356.429 3.757 0 1 FHAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@@H](c1cccs1)O3 28867411 CXHHCQLUBFXRTN-HNNXBMFYSA-N 355.463 3.781 0 1 FHAF COc1cc(C)ccc1[C@H]1CC(c2c(O)cc(C)oc2=O)=NCCS1 28899038 VOAKIOKJEQCIIT-QGZVFWFLSA-N 359.447 3.638 0 1 FHAF Cn1c(C(=O)O)cnc1Cc1cc(Cl)ccc1OCc1ccccc1 29128725 DUYXOSUHEBPESS-UHFFFAOYSA-N 356.809 3.942 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4[C@H]5CCO[C@H]5CC[C@@]4(C)[C@H]2CC[C@@H]1C3 29212055 RHAGZIUYLFSMDE-WDRNGCIXSA-N 362.510 3.702 0 1 FHAF O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1)NC1CC1 43025130 YTDAHFUMTFWALA-UHFFFAOYSA-N 372.553 3.937 0 1 FHAF O=C(O)c1cnn(Cc2nc(-c3cccc(C(F)(F)F)c3F)cs2)c1 43208552 VIVMTTMFSWRQJE-UHFFFAOYSA-N 371.315 3.911 0 1 FHAF O=C(C1CC1)N1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72101197 HJHJRMWVMHSGCA-LJQANCHMSA-N 373.859 3.518 0 1 FHAF COCCn1c(C(C)C)nc2c(NCc3cccc(Cl)c3)ncnc21 82181341 YHWYBRNFVBQJQL-UHFFFAOYSA-N 359.861 3.862 0 1 FHAF Nc1cccc(NC(=O)NCCCNCc2cc(Cl)cc(Cl)c2)c1 95580157 ZPJDIQMKVBQCDB-UHFFFAOYSA-N 367.280 3.877 0 1 FHAF COc1ccccc1CNc1cccn2nc(Nc3ccnc(C)c3)nc12 96169904 BPFZCTSREVOOBS-UHFFFAOYSA-N 360.421 3.797 0 1 FHAF Cc1ccc(Cl)cc1NC(=O)c1nc(C)c(C)nc1C(=O)NCC(C)C 103178243 PUSVHPWBWRFVNS-UHFFFAOYSA-N 374.872 3.693 0 1 FHAF Nc1ccccc1NC(=O)CCCCCCc1nc(-c2cccnc2)no1 138101418 HHWCETFNUZKCER-UHFFFAOYSA-N 365.437 3.846 0 1 FHAF CCOC(=O)c1cc(Cc2ccc(Cl)cc2Cl)c(=O)n2c1CCC2 218894305 HJHXJGLEEZYTSC-UHFFFAOYSA-N 366.244 3.869 0 1 FHAF CC(C)CCc1ccc(-c2cnc(N)cn2)c(F)c1Oc1nccc(N)n1 224561293 SJRKDMVIGUCPDD-UHFFFAOYSA-N 368.416 3.618 0 1 FHAF NC[C@H]1CC[C@H](c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn32)CC1 254042133 BSCFXRGIRSAPIO-HDJSIYSDSA-N 360.465 3.692 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 254091756 FHWOSRUUSHMKKA-HTCPCDBNSA-N 356.466 3.595 0 1 FHAF Cn1cc([C@@H](c2ccccc2)c2oc(CO)cc(=O)c2O)c2ccccc21 299827449 FQQJYOTYMKGZAK-HXUWFJFHSA-N 361.397 3.510 0 1 FHAF CCN(CC)S(=O)(=O)c1ccc2nc(C3(F)CCCCC3)[nH]c2c1 587132517 RPPSOVVVTCSJKA-UHFFFAOYSA-N 353.463 3.722 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@H](C1)N3C(=O)OC(C)(C)C)O2 587399670 MQSXGNJRONMTST-JORQVXCQSA-N 372.465 3.843 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccc(Cl)cc4)no1)[C@@H](C2)C3=O 587423546 VKONSVNQWHZBRQ-GUYCJALGSA-N 368.776 3.887 0 1 FHAF CCOP(=O)(C[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)OCC 587450266 SHMVNAOYRLIMTE-RDTXWAMCSA-N 368.366 3.858 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(C)sc1C)[C@@H](C2)C3=O 587453924 VGARQBQIFSIBKE-YWZLYKJASA-N 372.442 3.881 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ncc1O 587550876 CQJHYCOEFHGUEH-QFBILLFUSA-N 369.760 3.849 0 1 FHAF Cc1ccc(OCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587565811 UHNXDLAAUUIBGI-UHFFFAOYSA-N 361.195 3.911 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2c(c1)ncn2C 587871998 SCOHZCROBVUNHB-UHFFFAOYSA-N 364.380 3.663 0 1 FHAF Cc1ccc2nc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)[nH]c2c1 962732292 ZBZNFOVSMSHAEJ-JKSUJKDBSA-N 359.351 3.606 0 1 FHAF CN1CCc2cnn(C)c2[C@@]1(c1ccccc1)c1cc(F)c(F)c(F)c1 963956061 UOJLKOJSAAVGPP-HXUWFJFHSA-N 357.379 3.617 0 1 FHAF CCOC(=O)[C@H](C)N[P@](=O)(CO)Oc1c(C(C)C)cccc1C(C)C 1772582049 KFVIIFKKVHCHMJ-SXBQZSJRSA-N 371.414 3.996 0 1 FHAF CN1Cc2c(C3=CCNCC3)[nH]c3ncc(F)c(c23)-c2cc(F)ccc21 1772596274 PXWMAYRKENVODH-UHFFFAOYSA-N 352.388 3.835 0 1 FHAF Cc1cc(O)ccc1C1CCN([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 1772640264 JOFOAGSZQAGZDV-JOCHJYFZSA-N 364.489 3.681 0 1 FHAF O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@@H](Cc2cccnc2)C1 1857610087 ZNDRAIKJKVXLHD-LBPRGKRZSA-N 351.233 3.799 0 1 FHAF COc1ccc([C@@](C)(O)c2nc(-c3coc(C=O)c3)nc3ccccc23)cc1 1911585766 QBRGITCLHLCSEU-JOCHJYFZSA-N 374.396 3.967 0 1 FHAF CC(=CCOc1c2occc2cc2ccc(=O)oc12)C[C@@H]1C=CC(=O)O1 2356397263 LJOQBYPPAKFCAK-HNNXBMFYSA-N 352.342 3.736 0 1 FHAF COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c1 201450296 RNFDVPUSDWSVAT-KRWDZBQOSA-N 373.840 3.984 0 3 FHAF COc1cccc(CN2CCNC(=O)c3sc4ccc(OC)cc4c32)c1 1494665 KBTNDRYEFDZUNS-UHFFFAOYSA-N 368.458 3.669 0 1 FHAF COC(=O)C[C@H](C)c1c2c(c(O)c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 3640037 XTKUXKSLSNDPOT-QJPTWQEYSA-N 374.433 3.843 0 1 FHAF biogenic COc1ccc(O)c(-c2nc3ccccc3c(=O)n2Cc2ccccc2)c1 13831407 QFBVNSZCBGMXLW-UHFFFAOYSA-N 358.397 3.826 0 1 FHAF CCCCCCN(CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 26847851 LUTUXFRCHQZLGI-LJQANCHMSA-N 370.559 3.774 0 1 FHAF O=C(O)CC[C@H]1C[C@@H]1c1ccc(OCc2ccc3c(n2)NCCC3)cc1 28648204 ZLQCBMOQODJIPC-QFBILLFUSA-N 352.434 3.987 0 1 FHAF Cc1cc(C)c(/C=C/[C@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)c(CO)c2)c1 29482120 QGRZLCDFHATGDQ-ZLKFPQNLSA-N 370.420 3.682 0 1 FHAF Cc1cc2c(s1)c1cnn(Cc3ccc(C)c(F)c3F)c(=O)c1n2C 36380270 QREPVVOAAMVUPJ-UHFFFAOYSA-N 359.401 3.893 0 1 FHAF Cc1ccc(CNC(=O)Nc2cccc3[nH]ncc23)c(N2CCCCC2)n1 49047922 UCHZBUNRRDHEQD-UHFFFAOYSA-N 364.453 3.578 0 1 FHAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 82195534 ZWLIREJFYBJFBH-KRWDZBQOSA-N 359.495 3.791 0 1 FHAF NC(=O)O[C@@H](CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 95573128 ZJITZNLIEHQWQU-IBGZPJMESA-N 373.884 3.689 0 1 FHAF COc1ccc2c(c1O)OCCC[C@H]2c1cc(OC)c(OC)c(OC)c1 95591406 IKHJIQXEQCZFHM-ZDUSSCGKSA-N 360.406 3.731 0 1 FHAF CNCc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12 103244698 LDMIGOGCMLYRKE-UHFFFAOYSA-N 374.234 3.854 0 1 FHAF N=C(N)Nc1cccc(C(=O)c2ccc(NC(=N)Nc3ccccc3)cc2)c1 169325057 SRJQOLWVNYQBEG-UHFFFAOYSA-N 372.432 3.682 0 1 FHAF COc1ccc(NC(=O)[C@@H]2C(C)=Nc3[nH]ncc3[C@@H]2c2cccs2)cc1 169724244 YDSGZVVHIAMSTN-IAGOWNOFSA-N 366.446 3.973 0 1 FHAF CC(C)[C@](C)(O)c1nc2c(Br)ccc(Br)c2[nH]1 586887253 HSAHXUZRNCHMIB-LBPRGKRZSA-N 362.065 3.951 0 1 FHAF Cc1cnc(Cl)c2[nH]c(-c3nc(Cl)cnc3Br)nc12 587005254 FGQGQGSRVGECJJ-UHFFFAOYSA-N 359.014 3.793 0 1 FHAF N[C@H](Cc1nc2c(F)cnc(Br)c2[nH]1)c1ccccc1Cl 587058510 WHMUOVXCUMLFSZ-SNVBAGLBSA-N 369.625 3.755 0 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CC(C)n1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587579223 CNCVWFUYPGWAEQ-XLIONFOSSA-N 350.374 3.873 0 1 FHAF O=C(O)c1ccsc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612873 LBWCXXNNTMOUTO-PBHICJAKSA-N 368.366 3.855 0 1 FHAF Cc1cnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(N)c1 587657505 YIRNSRNWUFGBTI-UHFFFAOYSA-N 364.355 3.617 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3nccnc23)N1 587789800 ASGXYOKKVYLIGN-BJOHPYRUSA-N 373.229 3.550 0 1 FHAF CCOC(=O)[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798957 QIEAAMMGRFMQGW-XQJJYNOISA-N 358.251 3.537 0 1 FHAF CSc1nccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587843201 HNVHVPBOVAYGBW-CLAHSXSESA-N 368.275 3.724 0 1 FHAF COc1ccc(C[C@H](C)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1OC 587926272 MDSCUWZRRATVTP-VOJFVSQTSA-N 354.410 3.650 0 1 FHAF CC1=C(c2ccc3[nH]c(-c4ccc(OC5CCC5)cc4)nc3c2)NNC(=O)C1 587950910 GXQUVQOPRRQSEN-UHFFFAOYSA-N 374.444 3.917 0 1 FHAF COc1cccc2cc3c(nc12)[C@@](C)(COc1ccc(F)cc1)NCC3 963050313 XYYXTPLQLKVVAB-OAQYLSRUSA-N 352.409 3.822 0 1 FHAF C[C@@]1(c2ncc(Cl)cc2Br)NCCc2ccc(O)cc21 963328404 FPWNVHAYJWVBDG-OAHLLOKOSA-N 353.647 3.612 0 1 FHAF C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1OC(C)(C)C 1772644899 HXXUOZGTXRDYCN-HOCLYGCPSA-N 354.491 3.793 0 1 FHAF CC(C)CS(=O)(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1 1857590253 PCSVPLKSSLBRLP-UHFFFAOYSA-N 362.470 3.786 0 1 FHAF Oc1nnn(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1 1857775150 ZMJCUXFJKNUZOL-UHFFFAOYSA-N 362.477 3.673 0 1 FHAF O=C(CCCCCNCCCNC(=O)c1ccccc1)c1ccccc1 2356306637 OVJNAKBXDMGVSW-UHFFFAOYSA-N 352.478 3.839 0 1 FHAF O=C(O)C[C@@H]1[C@@H]2C=C[C@H]3[C@@H]4[C@H]2[C@H]1C[C@H]4C=C[C@H]3c1ccc2c(c1)OCO2 2356506061 ABOYVNQPUIGLSV-SAWWUCEZSA-N 350.414 3.844 0 1 FHAF COc1ccc(CN[C@@H](C)c2onc(-c3ccccc3)c2C(=O)O)cc1 2356728605 PABDOMMDKUXXSU-ZDUSSCGKSA-N 352.390 3.899 0 1 FHAF CCCc1cc(-c2[nH]nc(C(=O)OCC)c2-c2cscn2)c(O)cc1O 13125402 OKVIAYAICWTXBQ-UHFFFAOYSA-N 373.434 3.741 0 1 FHAF COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(OC)c2)c1 13534118 OOHRWJVEUNNVTP-UHFFFAOYSA-N 367.401 3.874 0 1 FHAF 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O=c1n(C/C=C/c2ccccc2)c2cccnc2n1-c1ccc2c(c1)OCO2 169316547 SVFDMWFVPGTTKZ-VMPITWQZSA-N 371.396 3.629 0 1 FHAF C[C@@H](O)C(=O)N[C@H]1CCCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205714803 PNJHYXMMSRJZFW-DIFFPNOSSA-N 364.367 3.642 0 1 FHAF O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CCCO1)c1cccc2ccccc12 299819484 AVTQCLISYQTDGJ-IYWMVGAKSA-N 364.489 3.744 0 1 FHAF Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)ccn2)o1 473112756 GFWOFKBCUHVSIL-UHFFFAOYSA-N 363.402 3.816 0 1 FHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Cl)cnc2[nH]1 586973873 RSFFLZNGJDFKNE-HNNXBMFYSA-N 360.870 3.722 0 1 FHAF Oc1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587002820 OOIHBWGCAFCWCI-UHFFFAOYSA-N 357.211 3.623 0 1 FHAF C[C@@H](c1nc2cc[nH]c(=N)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129705 ZSKIDOCEPNQUPP-BYPYZUCNSA-N 362.718 3.705 0 1 FHAF COC(=O)Nc1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cn1 587244159 BACNZLSPZJHWLJ-UHFFFAOYSA-N 354.263 3.961 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C1CCN(C(=O)OC(C)(C)C)CC1)O2 587392735 CNLUDUOYIXPFOU-OAQYLSRUSA-N 374.481 3.948 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(s1)CN(C(C)C)CC3)O2 587415899 YXJYSSMKPPSRQY-INIZCTEOSA-N 357.479 3.507 0 1 FHAF CCCOc1c(OC)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440794 IFIVQFTVDSWIFP-FOIQADDNSA-N 354.402 3.981 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3[nH]cnc(Cl)c1-3)CC2=O 587463335 WZDWQCSHEPPXPA-CQSZACIVSA-N 357.797 3.928 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CO)(c1c[nH]c3ccccc13)CC2=O 587483375 MEAIYBJGWHYDPQ-OAQYLSRUSA-N 351.402 3.679 0 1 FHAF CN1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)CC1 587514168 MGIADSIXCHNJEW-FQEVSTJZSA-N 366.461 3.617 0 1 FHAF Cn1ncc(Cl)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549664 SLJLNAAVYVXWHP-BEFAXECRSA-N 370.792 3.656 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c[nH]nc12 587598341 XMKWUNUFAXKKJC-UTKZUKDTSA-N 358.353 3.971 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN[C@H]3CCCC[C@@H]32)N1 587792814 MWZKCOHVYJQZIK-MTKHPJAWSA-N 367.306 3.870 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCN(Cc3ccccc3)C1=O)N(C(C)C)CC2 962088227 FLSRURMFMLQMBI-HSZRJFAPSA-N 364.489 3.590 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1c(F)cc(F)cc1OC)N(C)[C@@H](C)C2 962639200 VILWAKGWDHWPQS-PRWKNARSSA-N 363.404 3.956 0 1 FHAF CCOC(=O)[C@@H]1COC(C)(C)[C@@]12NCCc1cccc(-c3ccccc3)c12 962670186 VFNIAHFBNQXTRP-WMZHIEFXSA-N 365.473 3.683 0 1 FHAF CC(C)Oc1cccc([C@]2(C(F)F)NCCc3c(C(=O)O)cccc32)c1 963119400 DUEWKBLUXJAXRF-FQEVSTJZSA-N 361.388 3.826 0 1 FHAF COc1ccc(CN2CC[C@@H]3COC(=O)N3c3cc(F)ccc3C2)cc1 2356307860 ZUFHFIZDODMABV-QGZVFWFLSA-N 356.397 3.565 0 1 FHAF CCCCO[C@@H]1CC[C@](C)([C@@H]2COC(C)(C)O2)O[C@H]1CCC(C)=CCO 2356450755 ILAZJBNDAIHSRE-XODKDNOYSA-N 370.530 3.980 0 1 FHAF Cn1ccnc1[C@H]1CCCCN1Cc1nc(-c2ccc(Cl)cc2)no1 13594807 UTBVYGQOBOBRPJ-OAHLLOKOSA-N 357.845 3.851 0 3 FHAF CCCNC(=O)[C@]1(C)CCCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 61895532 RIDBPCQNIFSLLC-JOCHJYFZSA-N 368.525 3.617 0 3 FHAF O=C1C[C@@]2(CCC3=C(O2)c2ccccc2NC(=O)C3)C(=O)c2ccccc2N1 1635287 VFOYYDABULZAOF-QFIPXVFZSA-N 374.396 3.514 0 1 FHAF COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 2487411 NICMABFJGORXJK-IBGZPJMESA-N 374.525 3.977 0 1 FHAF CCOc1ccccc1NC(=O)N1[C@H]2CCC[C@@H]1CC(NC(=O)C1CC1)C2 4375579 ZTHSQQIGYNUIGN-ALOPSCKCSA-N 371.481 3.529 0 1 FHAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc3c(c2)CCO3)cc1 13525251 MSZINACGMWACHB-UHFFFAOYSA-N 374.849 3.531 0 1 FHAF COc1ccc([C@](O)(Cn2ccnc2)c2ccc(Br)cc2)cc1 26848311 MVWUHFDPTGUSML-SFHVURJKSA-N 373.250 3.590 0 1 FHAF O=C(c1ccc(F)cc1)C1CCN(CC[C@@H]2CC3=CC=C[C@@H]3C2=O)CC1 26958880 ORQWPBKZZWESRN-QUCCMNQESA-N 353.437 3.812 0 1 FHAF CN(C)CCCOc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 28371258 RYMSZFRCYIQMRX-UHFFFAOYSA-N 351.878 3.965 0 1 FHAF CCCCC[C@@H]1C[C@H]1NC(=O)C1(C[C@@H](CCOC)C(=O)O)CCCC1 28641513 BINPFDWVPOZRNS-BRWVUGGUSA-N 353.503 3.759 0 1 FHAF CC[C@@]12CCCN(CCc3c(n(C)c4ccccc34)[C@H](C(=O)OC)C1)C2 85982309 AULRJVXQWYCCSG-XMSQKQJNSA-N 354.494 3.873 0 1 FHAF biogenic Cc1c(CO)c(CO)c2n1Cc1c(c3ccccc3n1Cc1ccccc1)C2 95592365 FHMHOCSEUDGRPC-UHFFFAOYSA-N 372.468 3.737 0 1 FHAF COc1cc(Cl)ccc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 101444672 PGXSSBALVLNDFL-HZPDHXFCSA-N 374.868 3.867 0 1 FHAF CO/C=C(/C(=O)OC)c1ccccc1COc1ccc2ccc(=O)oc2c1 103181155 HMBMJDORWVALOS-QGOAFFKASA-N 366.369 3.532 0 1 FHAF COc1cc(OC)c(C(=O)c2ccc(F)cc2)c(O)c1Br 103224012 JTXCPZVMWWLNJH-UHFFFAOYSA-N 355.159 3.542 0 1 FHAF CSc1ccc([C@H]2SCC(=O)N2CCCN2CCCCC2)cc1 147890114 MLOPFWFUHVMJBX-GOSISDBHSA-N 350.553 3.859 0 1 FHAF CC1(C)Oc2ccc(C3=CCCCCC3)cc2[C@]2(COC(N)=N2)C12COC2 148952738 YNAMZKYOBIDWHW-JOCHJYFZSA-N 368.477 3.762 0 1 FHAF COc1ccc(-c2noc(CNC34CC5CC(CC(C5)C3)C4)n2)cc1OC 225178125 NMWIKDZRXKOZKJ-UHFFFAOYSA-N 369.465 3.812 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccsc4)ncc23)ccn1 261088854 DDVVEFWFYUXPPG-UHFFFAOYSA-N 364.434 3.712 0 1 FHAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cnnc(O)c2[nH]1 587034242 FTQLSISJUQPEJA-LLVKDONJSA-N 367.434 3.544 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)O)c1C)CC2=O 587481768 IBQISIULAFTGMO-FQEVSTJZSA-N 357.406 3.868 0 1 FHAF C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517238 JROHGBULBLZNSD-ASSNKEHSSA-N 357.450 3.909 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1F 587567324 GLOZXGAHXLWDPV-OXJNMPFZSA-N 352.317 3.940 0 1 FHAF COC(=O)Cc1[nH]c2cccc(F)c2c1NC(=O)OCc1ccccc1 587635561 NJKVMSWTDOCEBB-UHFFFAOYSA-N 356.353 3.771 0 1 FHAF COc1cc(-c2[nH]c3c(C(=O)O)cccc3c2CC(=O)O)ccc1Cl 587638743 OYBXRJOWGJBXNG-UHFFFAOYSA-N 359.765 3.822 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(C)(C)C)(C(=O)O)N1 587825832 FQJPKHAYHGMOTK-ABKXIKBNSA-N 358.251 3.839 0 1 FHAF Oc1ccc(OCCc2ccccc2)n1-c1ccnc(Br)c1 587939105 BMERPHYMOYJBCO-UHFFFAOYSA-N 359.223 3.962 0 1 FHAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)c(C)c(C)c2O)n1 587944803 IWTDVJWSIYZPJZ-UHFFFAOYSA-N 361.398 3.726 0 1 FHAF C[C@H](O)c1cc(C(=O)N[C@H](C)c2ccccc2F)ccc1-c1cn[nH]c1 1772582676 LYLJYIZTSPUCNP-OLZOCXBDSA-N 353.397 3.760 0 1 FHAF O=C(Nc1ccccc1)N1C[C@@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356302045 KOMPLNJPTMMAAB-RHSMWYFYSA-N 355.369 3.599 0 1 FHAF O=C(O)C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Cc1nc2ccccc2[nH]1 2356302729 VDHUJVZUQYFSNX-ZWKOTPCHSA-N 363.461 3.718 0 1 FHAF CCCCC[C@H](O)C=C[C@@H]1O[C@H]2C[C@@H](O2)[C@@H]1CC=CCCCC(=O)O 2356342028 DSNBHJFQCNUKMA-NMDDUFOESA-N 352.471 3.815 0 1 FHAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(C(F)(F)F)cc1)CN32 100912769 DDASMJFFKOSRQN-WUDBPDGJSA-N 351.368 3.745 0 1 FHAF CCN1CCN(C(=O)c2cc(Nc3ccccc3)nc3ccccc23)CC1 58095083 MLSHSPMWUJHRMD-UHFFFAOYSA-N 360.461 3.756 0 1 FHAF COc1ccc2c(c1OC)[C@@]13CCN(CC4CC4)[C@@H](C2)[C@H]1C[C@H](C)C(=O)C3 29233855 HSEYGJLILMXTEM-TWFFJXMTSA-N 369.505 3.597 0 1 FHAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3C=Cc4c([nH]c5ccccc45)[C@H]3C[C@@H]12 2356836062 KWQSIDFPQBLAMV-ZSKVKKPNSA-N 350.418 3.607 0 1 FHAF CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@@H](CN3CCN(C)CC3)C=C2C)o1 2356856153 RXSFRNBJNYDODX-ZCNNSNEGSA-N 374.573 3.667 0 1 FHAF Cc1ccc(NS(=O)(=O)Cc2nnc(-c3ccc(C)cc3)s2)cc1 64746588 OINVXGRFKNHULY-UHFFFAOYSA-N 359.476 3.764 0 1 FHAF COc1cc(Cl)ccc1O[C@@H](c1ccc(F)cc1)[C@H]1CNCCO1 89465221 OGUCJMOATTVEME-MSOLQXFVSA-N 351.805 3.596 0 1 FHAF in-vitro COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(C)c(C)cc32)c1 40379435 LUJSCDULULYEGE-IBGZPJMESA-N 351.402 3.689 0 1 FHAF C[C@@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2n1 147089902 GUERACYCGKAFOU-LLVKDONJSA-N 360.425 3.870 0 1 FHAF C[C@H]1CC=C(c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)CC1 148950688 PQKQEKLALZXTJD-FPTDNZKUSA-N 368.477 3.618 0 1 FHAF O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccco2)c1=O 25235590 QMDHVTOVPXOAIH-WBVHZDCISA-N 366.461 3.634 0 1 FHAF biogenic O=C(O)c1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029279 MUWSDSWJEIFBJM-UHFFFAOYSA-N 351.387 3.964 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(O)cccc1Br)[C@@H](C2)C3=O 587414758 XEPMDRGNYDGFMP-BTDLBPIBSA-N 361.191 3.652 0 1 FHAF NC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587373799 JFAZEESUHXQTMV-QUCCMNQESA-N 369.417 3.806 0 1 FHAF COC(=O)Nc1ccc(-c2nc3cc(C)c(Br)cc3[nH]2)cn1 587244026 AEZFZMKMMZHPAC-UHFFFAOYSA-N 361.199 3.874 0 1 FHAF CCS(=O)(=O)c1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 586922017 KGTTXKPMAUSBFM-UHFFFAOYSA-N 356.234 3.725 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4cc(N)ccc41)[C@@H](C2)C3=O 587433061 MSDYZIXYRZCLSG-WMZHIEFXSA-N 355.393 3.949 0 1 FHAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc3c(cc2[nH]1)OCCCO3 587117745 WDFJGHZLAGLXAN-UHFFFAOYSA-N 372.734 3.797 0 1 FHAF CCOc1n[nH]c(-c2nc3ccc4nc(C)ccc4c3[nH]2)c1Br 586979405 CFLJIPSIWWXCMR-UHFFFAOYSA-N 372.226 3.971 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4cccc(F)c4)c1)[C@@H](C2)C3=O 587429444 UASIACDXHAKZLF-JXFKEZNVSA-N 350.349 3.509 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1O 587570749 XRNQOWUZDVBDRI-XLIONFOSSA-N 352.317 3.940 0 1 FHAF CC1(c2cccc(O)c2)CCN(C/C(=C\c2ccccc2)C(=O)O)CC1 1772571899 CIDNFRPKYSJNEJ-NBVRZTHBSA-N 351.446 3.914 0 1 FHAF CCC[C@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nncn32)C1 1772650968 MXDIPRBEEOZPFB-ZDUSSCGKSA-N 364.474 4.000 0 1 FHAF Cc1ccc(Cc2ccnc3c2NC(=O)c2cccnc2N3C2CC2)c(O)c1 5930854 ZBRYMJQGTZVHEN-UHFFFAOYSA-N 372.428 3.948 0 1 FHAF O=C(O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1 164778236 UFWMOHKJWNNGPV-UHFFFAOYSA-N 358.357 3.575 0 1 FHAF CCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)s1 29046191 BTWYENOIXSPNND-UHFFFAOYSA-N 352.463 3.754 0 1 FHAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]([C@@H](O)CCC(C)=O)C2=O 2356427654 IQBWPVDJDAJSKO-HNAYVOBHSA-N 362.466 3.825 0 1 FHAF CC(C)NC(=O)CCSCc1cnn(-c2ccccc2)c1-n1cccc1 9251614 FVKYHMSVJVFOGF-UHFFFAOYSA-N 368.506 3.811 0 1 FHAF CNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@@H](C2)N(CC1CC1)CC3 101105558 SGHKXPYOPVKZJP-UZKOGDIHSA-N 354.494 3.873 0 1 FHAF O=C(CCc1nnc(C2CCCCC2)o1)N1CCN(C2CCCCC2)CC1 20782115 DCWFEPRUQCZOTH-UHFFFAOYSA-N 374.529 3.527 0 3 FHAF O=C(c1ccc(Cl)cc1)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1 26007933 XWKBKNRJOPBVBD-GOSISDBHSA-N 361.228 3.961 0 1 FHAF Cc1ccc2nc(CO[C@@H]3CN(C(=O)Nc4ccccc4)C[C@H]3F)[nH]c2c1 2356746984 HECXUAYLIIRDMB-CRAIPNDOSA-N 368.412 3.642 0 1 FHAF CCN(CC)Cc1cccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 28333349 RPSNBPHMKGJZHG-OAQYLSRUSA-N 369.461 3.732 0 1 FHAF CCCc1cc(-c2cc(C(=O)N(C)C)cc(C(F)(F)F)c2)nc(C=N)n1 64746233 FLPAOFVJMBOQGB-UHFFFAOYSA-N 364.371 3.814 0 1 FHAF in-vitro CC(=O)Nc1cccc(C(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)c1 72113211 GNIULPXTUKJQQN-SFHVURJKSA-N 358.825 3.749 0 1 FHAF Cc1noc(NC(=O)N2CCC3(CC2)C[C@H](c2ccccc2)CO3)c1C 73161851 PDLZWTRIORMYRF-KRWDZBQOSA-N 355.438 3.862 0 1 FHAF COc1ccc([C@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cn1 72112999 BYJUDJGGGMAIRI-ZIAGYGMSSA-N 359.792 3.621 0 1 FHAF CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2ccccc12 84758194 KLAOTHGVZZJSFT-NRFANRHFSA-N 359.425 3.970 0 1 FHAF COc1c(C)c(O)c2c(=O)c(OC)c(-c3ccc(O)c(C)c3)oc2c1C 148141799 HDSSAHJAEVBUTI-UHFFFAOYSA-N 356.374 3.814 0 1 FHAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc2cccc(F)c2)c1 95921090 AQTALODLFZOZJL-NQIIRXRSSA-N 371.500 3.671 0 1 FHAF in-vitro Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccc(F)cc3)ccc12 96905954 HJCZWJROPURFIY-LJQANCHMSA-N 354.406 3.754 0 1 FHAF O=C(O[C@@H]1C[C@H]2C[C@H]1[C@H](n1cnc3c(Cl)ncnc31)C2)c1ccccc1 299816467 ATKMRHHZZZBAKX-SPWCGHHHSA-N 368.824 3.676 0 1 FHAF CC(C)C(=O)SCCCCCCNC(=O)c1cc(-c2ccncc2)[nH]n1 653686947 ZJWBYDAXBQJMLL-UHFFFAOYSA-N 374.510 3.678 0 1 FHAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(Br)c(O)c2[nH]1 586907435 LVNVPXQWBLLRIB-MRVPVSSYSA-N 361.195 3.612 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1Cc3ccccc3C(=O)O1)CC2=O 587491141 NHEABKRPEVRVSY-SIKLNZKXSA-N 366.413 3.850 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(O)cccc21 587405016 UEICGYUYDZXWTH-QHCPKHFHSA-N 371.392 3.736 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(C(=O)O)c1 587868441 LHMJXTAYUNEZKN-UHFFFAOYSA-N 363.295 3.660 0 1 FHAF CCCCOC(=O)C1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(C)(C)O1 587410936 HMAUCKGIQLVTOD-OAQYLSRUSA-N 373.449 3.707 0 1 FHAF C[C@@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)N(C)C 587190614 ISWHEMQMHOAYNA-ZETCQYMHSA-N 350.182 3.837 0 1 FHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(Br)nc2[nH]1 586882457 UIDQRJCUZQCUQX-UHFFFAOYSA-N 372.222 3.649 0 1 FHAF COc1cccc(-n2cccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587432034 TXFAINYZGSIVQN-VGOFRKELSA-N 361.397 3.983 0 1 FHAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)n1 587518667 MZNIOLDYIOLJSD-NRFANRHFSA-N 353.418 3.858 0 1 FHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587785071 KRHZRQNEPYVJRS-HUUCEWRRSA-N 364.401 3.668 0 1 FHAF CCCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352838 YJTCPSQAHXJHEU-CTNGQTDRSA-N 372.392 3.992 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCC[C@H](C2)N3C)N1 587773141 JIKASWSDNCOYFE-XJQUKVTJSA-N 367.306 3.964 0 1 FHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(C)nc(C)cc2[nH]1 586972568 IJSRZJOKGWVFBO-QGZVFWFLSA-N 354.479 3.685 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 587947527 XQRMFNFATSOBNM-AWEZNQCLSA-N 370.474 3.638 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2N[C@@H]2c2ccccc2)N1 587794971 PRZKEIQJZWIAND-HBRCHAQXSA-N 361.258 3.877 0 1 FHAF CN[C@@H](c1cccnc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587221765 IBRGBPORMZZRNU-ZDUSSCGKSA-N 356.735 3.819 0 1 FHAF O=C(O)CCOc1ccccc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963102941 SWIVMTRMDPMZOA-IIBYNOLFSA-N 355.409 3.789 0 1 FHAF COc1ccc(S[C@@H]2CC(=O)N2C(=O)N[C@@H](C)c2ccccc2)cc1 198949236 UFACELIHZSALPQ-SCLBCKFNSA-N 356.447 3.817 0 1 FHAF COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)N(C)CC[C@]314 13586851 JUUYNFHQKQIBCF-PXAYELCQSA-N 372.468 3.981 0 1 FHAF Cc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4)c3c2)cc1 13607638 GHIHEXITYPJDFJ-MRXNPFEDSA-N 369.490 3.572 0 1 FHAF O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12 13672072 JGLOHIDMAGTNKS-UHFFFAOYSA-N 359.433 3.778 0 1 FHAF Oc1ccccc1-c1nnc(Sc2cc(O)n(-c3ccccc3)c2O)o1 169691906 DDZGCYNBRRDCGO-UHFFFAOYSA-N 367.386 3.795 0 1 FHAF Cc1cn(CCCN/C(=C\[N+](=O)[O-])Nc2cccc3ccccc23)cn1 169703304 GZQGQPXNGNLMNL-CPNJWEJPSA-N 351.410 3.512 0 1 FHAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 767584 YGFPZTYEYOZJBR-RBBKRZOGSA-N 371.440 3.677 0 1 FHAF COc1ccc2c(c1OC)[C@@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1C[C@H](C)C(=O)C3 29233848 HSEYGJLILMXTEM-KJMYGEOBSA-N 369.505 3.597 0 1 FHAF CCCCOC(=O)NCCc1nc(-c2ccc(Br)cc2)c[nH]1 28891245 DLNGQHFKASDYRG-UHFFFAOYSA-N 366.259 3.908 0 1 FHAF O=C(O)CCc1ccc(OCCN(c2ccccn2)c2ccccn2)cc1 28331005 RXDTWDXHCDSSOV-UHFFFAOYSA-N 363.417 3.711 0 1 FHAF CC1(C)N=C(N)N=C(N)N1c1ccc(SCc2ccc(Cl)cc2)cc1 29217451 SKDQWINKXYBUSB-UHFFFAOYSA-N 373.913 3.818 0 1 FHAF CC1(C)C=Cc2c(O)cc3c(c2O1)[C@@H]1Oc2cc4c(cc2[C@H]1CO3)OCO4 13378617 SAYHRUJEFVKWNL-CWTRNNRKSA-N 366.369 3.915 0 1 FHAF biogenic Cc1cc(Nc2nc(C(F)(F)F)cn3c(-c4cn[nH]c4)cnc23)sn1 72107593 IVIGCDKRIYEDPR-UHFFFAOYSA-N 365.344 3.647 0 1 FHAF O=C(c1cccs1)c1c(C(F)(F)F)nc2ccc(Cl)cc2[n+]1[O-] 49784784 PWEHNRQLTLOGGL-UHFFFAOYSA-N 358.728 3.833 0 1 FHAF c1cc(-c2nc(OC[C@H]3CCCN3)c3c4c(sc3n2)CCCC4)ccn1 223660013 ULTCRHWVTDFLKD-CQSZACIVSA-N 366.490 3.763 0 1 FHAF CNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccc(Cl)cc1)O2 49066917 LVMSDMGXOVXJCC-KRWDZBQOSA-N 369.852 3.961 0 1 FHAF COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCC3CC3)ncnc21 82184974 KXOVEIPWVZYJHQ-OAHLLOKOSA-N 365.481 3.641 0 1 FHAF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc4c(c3)OCCCO4)C2)cc1 95588160 LEBPVFRPBIXIIL-IBGZPJMESA-N 366.417 3.554 0 1 FHAF COc1cc(OC)c(OC)c(O)c1CC[C@H](OC(C)=O)c1ccccc1 238769207 AZPRWDLAWWUGLG-INIZCTEOSA-N 360.406 3.655 0 1 FHAF C[C@]12CCCC[C@@H]1C[C@H](O)[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 255288063 ZYEOCZJSKXSFRT-MLKMEJTOSA-N 374.521 3.604 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@H]1C[C@H]2C[C@H]1c1ccccc12 254091700 CCNUQTMMRGAWTF-GBYFWLHCSA-N 364.445 3.814 0 1 FHAF COc1ccc2[nH]c3c(c2c1)CCN[C@@]31CCN2Cc3ccccc3C[C@H]2C1 2382221628 YRDJIVCWLLUIJN-MHECFPHRSA-N 373.500 3.738 0 1 FHAF CCN(CC)Cc1ccc2oc(=O)c(C(=O)Nc3ccccc3)cc2c1 653803548 ACMOUZAMMPMWDZ-UHFFFAOYSA-N 350.418 3.887 0 1 FHAF COc1cc(-c2nn[nH]c2-c2cc3ccccc3o2)cc(OC)c1OC 653768348 HNFUHUHFAQMHQE-UHFFFAOYSA-N 351.362 3.911 0 1 FHAF COCCOc1cccc(F)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587382156 OUKGGNTZWGYRJQ-HXUWFJFHSA-N 359.397 3.622 0 1 FHAF COC(=O)[C@@H]1CCCc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587400142 ONSQJPAJIDQVGC-HTAPYJJXSA-N 365.429 3.563 0 1 FHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1O 587591131 FYSRNQYXCIKESI-NQIIRXRSSA-N 364.353 3.809 0 1 FHAF Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c2c(C)nn(C)c2n1 587876966 YLVMZIPQFFJBBP-UHFFFAOYSA-N 363.352 3.382 0 1 FHAF CCCn1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587755506 AHFXYNMGXLFYEK-HWPZZCPQSA-N 352.251 3.818 0 1 FHAF Cc1[nH]c(=N)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587849573 AYBBRIIHDIJXNE-MLXNANBUSA-N 370.291 3.563 0 1 FHAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(F)c(F)ccc2[nH]1 587039054 OXSHKCWKXVEVOI-UHFFFAOYSA-N 353.354 3.707 0 1 FHAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 587109384 OBUKMCLYCXFUSY-UHFFFAOYSA-N 364.279 3.718 0 1 FHAF COC(=O)[C@H](C)n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512317 MWDAYGZABLREKC-ORAYPTAESA-N 353.418 3.807 0 1 FHAF CCc1nccnc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588861 SOHGWDWHDLKDQI-DYESRHJHSA-N 362.385 3.622 0 1 FHAF COC(=O)c1ccoc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587829987 RVYPNBDXYKCMED-XLKFXECMSA-N 368.202 3.591 0 1 FHAF Oc1nc(O)c2ccc(-c3ccc(OC(F)(F)F)c(Cl)c3)nc2n1 587368012 GBMZXWXMUFBHPG-UHFFFAOYSA-N 357.675 3.655 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C)C(=O)O)cc1)CC2=O 587486704 STHQVJMCBLBUEL-CWTRNNRKSA-N 370.401 3.903 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)ccc1F)CC2=O 587465364 CKPBDBSQTQYGCO-SFHVURJKSA-N 358.365 3.977 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@@](c2ccco2)(C(F)(F)F)N1)C(F)(F)F 962731440 RXTSJYMKBBKQJI-SMDDNHRTSA-N 363.257 3.731 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@@]12CCCC1=C2CCC(=O)N1 962370329 FDOKPGNZBCTYDP-NRFANRHFSA-N 367.518 3.688 0 1 FHAF Cc1cc(F)ccc1NC[C@@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 142170604 OMCSKQTWNQXPRF-AEFFLSMTSA-N 362.470 3.633 0 1 FHAF c1cc2c(cc1-c1nnn[nH]1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 13532332 JCEYFGFSKVUFMR-CZTZKLFOSA-N 363.509 3.725 0 1 FHAF CO[C@@]1(C(C)(C)O)/C=C\[C@](C)(O)CC/C=C(/C)CC(=O)C[C@@H](C)CC1 169290344 PUAPJGQBSUWLAY-RGPUOOSQSA-N 352.515 3.955 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C5=NCCO5)CC[C@@H]4[C@@H]3CC[C@@H]12 169324050 MCQUWTXHJRSZGA-IJCWNNEKSA-N 358.526 3.895 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(C)c1 169723944 VGSUAGXLTLOJBS-WMZOPIPTSA-N 357.450 3.958 0 1 FHAF CCCCNC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1CCC 206044358 OTKAGQJPMZLBPI-OEMYIYORSA-N 363.546 3.826 0 3 FHAF CCC[C@@H]1C[C@@H](NCc2ccccc2)C[C@@]2(O1)C(=O)Nc1ccccc12 207486290 SEMJYLPIAVZGGE-HMFYCAOWSA-N 350.462 3.972 0 1 FHAF O=C1CCCC=CC[C@H]2C(=O)C[C@@H](O)[C@@H]2C=C[C@@H](CCc2ccccc2)O1 253634946 WWHYWVRAJPRWHZ-NXLVEIQXSA-N 368.473 3.784 0 1 FHAF FC(F)(F)c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1 3816523 VKVKUKGJNTVGRG-UHFFFAOYSA-N 356.311 3.949 0 1 FHAF COC(=O)CC[C@H]1C[C@H](O)[C@@]2(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]12 13518511 QSUIHYMIILMTRB-FYEBJQQMSA-N 358.478 3.789 0 1 FHAF O=C1NC(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 13680102 WFKJYCAFDGXXRO-ZDUSSCGKSA-N 365.614 3.900 0 1 FHAF COc1cc(O)c(CC=C(C)C)c2c1C[C@H](O)[C@H](c1ccc(O)cc1)O2 14762554 YRVPIFONAVRLMJ-ICSRJNTNSA-N 356.418 3.652 0 1 FHAF biogenic CC(C)Cc1ccc([C@H](C)C(=O)CN2C(=O)C[C@@H](CC(C)C)C2=O)cc1 29473341 LCEFWIQZFMCGCX-QFBILLFUSA-N 357.494 3.979 0 1 FHAF CO[C@H]1OC(=O)C2=C1[C@]1(C)CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@@H]1CC2 38963208 APEVQNKHLPKOPW-MONKJGPFSA-N 362.466 3.920 0 1 FHAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccccc4F)cn3)[nH]c2c1 64527115 PHMYRRGIPIVTKA-UHFFFAOYSA-N 367.405 3.835 0 1 FHAF Cc1nn(-c2ccncc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565095 VSASFANEKAHCJQ-UHFFFAOYSA-N 372.831 3.536 0 1 FHAF CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N(C)[C@@H]2CO 95877854 IUNVSTYRUPPOTA-AQKFKSFVSA-N 368.452 3.603 0 1 FHAF CN(C(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O)c1ccccc1 101215060 DIAXAJFQHBPADD-UHFFFAOYSA-N 370.408 3.973 0 1 FHAF Nn1c(COc2ccc(Cl)cc2Cl)nc2c(Cl)cccc2c1=O 103177874 JWTUMBYTYUQLAG-UHFFFAOYSA-N 370.623 3.650 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1F 169723925 YRXCEVDLAFSRTE-NVXWUHKLSA-N 361.413 3.789 0 1 FHAF CCCCC[C@@H](O)C[C@@H]1Cc2cc3cc(OC)cc(O)c3c(O)c2C(=O)O1 199398895 UCYRHNYBKITOOS-ZBFHGGJFSA-N 374.433 3.672 0 1 FHAF COc1ccc(CNc2nn(C)c3c2sc2nnc(C)c(C)c23)cc1 215964708 RWAYGWYLIWQWLU-UHFFFAOYSA-N 353.451 3.816 0 1 FHAF O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1cc(Cl)ccc1Cl 473134096 FGUBDLUEGVFTMJ-UHFFFAOYSA-N 363.248 3.524 0 1 FHAF N[C@H](Cc1nc2cc(Cl)ncc2[nH]1)c1ccc(Br)cc1 586997828 VXPCSBJZRUIQQV-SNVBAGLBSA-N 351.635 3.616 0 1 FHAF Fc1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1F 587118774 PTPKMHUGGUIXCZ-UHFFFAOYSA-N 369.253 3.760 0 1 FHAF Fc1ccc(-c2nc3cc(I)cnc3[nH]2)cc1F 587145202 HXQJJPGYBIOQTC-UHFFFAOYSA-N 357.101 3.508 0 1 FHAF COC(=O)c1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c1 587147534 PQIJTQJEPNWSML-UHFFFAOYSA-N 368.343 3.695 0 1 FHAF Nc1c(-c2nc3cncc(Br)c3[nH]2)cnc2c(F)cccc12 587175821 BGTKLWDAKWOKHV-UHFFFAOYSA-N 358.174 3.657 0 1 FHAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cnccc2[nH]1 587230335 DXOIIVVHPNUMGD-UHFFFAOYSA-N 373.416 3.847 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cnn(C)c3)cc3ccccn13)O2 587393618 JMXBRHJAJFTDHD-HXUWFJFHSA-N 372.428 3.937 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]31)O2 587400439 PLJHGFSXQKCVRE-KUUHDYPXSA-N 372.465 3.558 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O 587431166 IUGZQFOVGJXEMC-MBSDFSHPSA-N 374.440 3.737 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@H](C)C(=O)OC)CC2=O 587471816 VQSSCSCSFTYYJN-KZULUSFZSA-N 357.406 3.587 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)ccc1OC)CC2=O 587480178 NSBZQJCJCMQLOX-IBGZPJMESA-N 370.401 3.846 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3ncccn3)n1)CC2=O 587495550 OYBPYPJXMGIQNA-MRXNPFEDSA-N 367.430 3.965 0 1 FHAF CC[C@]1([C@H](C)CN(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571576 LZTWTODRALAECV-CFCCAZDESA-N 355.434 3.700 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCCC[C@H]2O 587613295 XZIZWQWDOMPCOI-LVCYWYKZSA-N 354.402 3.808 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N(C)C)N1 587755858 PTQJIAUXQUMYHB-MGPLVRAMSA-N 364.262 3.673 0 1 FHAF CC(C)[C@]1(Cn2cccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587757740 HPUAENRYHYBUBI-PXAZEXFGSA-N 366.278 3.870 0 1 FHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 587786448 QQPJQIZLZZOQDC-NEPJUHHUSA-N 361.323 3.920 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)o2)N1 587826973 HORPGVOAKOVVPN-WJWGPLDTSA-N 354.175 3.503 0 1 FHAF COc1cccc(-c2cnnc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)c1 587875522 PTPCRIFDSYIYNU-UHFFFAOYSA-N 361.336 3.645 0 1 FHAF COc1cccc(-c2cccc(-n3c(O)cc(CCC(=O)O)c3O)c2)c1 587937804 NXXFOFYKHUWGGK-UHFFFAOYSA-N 353.374 3.581 0 1 FHAF CC[C@@]1(Cc2nc3c(S)nc(S)nc3[nH]2)CC(=O)c2ccccc2C1 587959459 FARPHEJMPXQSEH-SFHVURJKSA-N 370.503 3.698 0 1 FHAF COc1cc(-c2ccc3nnc(-c4ccc5nccnc5c4)n3c2)ccc1O 653670153 QAKGIUTYMIVHRE-UHFFFAOYSA-N 369.384 3.721 0 1 FHAF Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc(C)n1 962707236 KNGIMWOOJVUVDK-CVEARBPZSA-N 368.330 3.545 0 1 FHAF O=C(O)/C=C/[C@@H](O)c1ccc(OCc2ccc(Br)cc2)cc1 1772650879 JQMAEYPMDVPZPW-ZNFPLGDCSA-N 363.207 3.702 0 1 FHAF COc1cc([C@H]2OC[C@@H]3[C@@H]2CC[C@H]3c2ccc(O)c(OC)c2)ccc1O 2356369969 WIBQQMLELFLPKY-VCAMNPENSA-N 356.418 3.996 0 1 FHAF COc1ccc(-c2csc(=N)n2-c2cc(OC)c(OC)c(OC)c2)cc1 101834710 XJIVHDVERNUOLH-UHFFFAOYSA-N 372.446 3.720 0 1 FHAF O=C1CC[C@]2(c3ccc(F)cc3)O[C@H](COc3ccc(Cl)cc3)CN12 27523105 OBVJBQUCQQIJMO-PKOBYXMFSA-N 361.800 3.732 0 1 FHAF O=C(CSc1nnc2scc(-c3ccccc3)n12)NC1CCCC1 22337393 DDCZMPKIQFXJNA-UHFFFAOYSA-N 358.492 3.609 0 3 FHAF C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@@H](CC2CC2)S1(=O)=O 62224259 GIBBMQIFJKTBNZ-YVEFUNNKSA-N 365.886 3.742 0 1 FHAF COc1ccc(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)cc1F 66075780 WLDXQFUUSKZUQY-UHFFFAOYSA-N 359.353 3.572 0 1 FHAF O=C(NCCc1ccccc1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12 28950413 VLBUEFFYBHGVQX-UHFFFAOYSA-N 357.413 3.908 0 1 FHAF O=C(NC1CCCC1)c1noc(-c2ccc(F)cc2)c1Br 66073749 JKXZVPMYUXNSNS-UHFFFAOYSA-N 353.191 3.916 0 1 FHAF CCC[C@@H](C[C@H](CCc1ccc(OC)c(OC)c1)OC(C)=O)OC(C)=O 15256896 RZUBQNIFCCXJPU-ROUUACIJSA-N 366.454 3.690 0 1 FHAF biogenic Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N2CCCC2)c1 82216747 YLKLDPXUHIVLBC-UHFFFAOYSA-N 350.466 3.678 0 1 FHAF CN(C)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCCF 84652930 IZOYCGRRBKQLEO-MLHJIOFPSA-N 352.881 3.724 0 1 FHAF C[C@@H](C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccc(Br)cc1 253989047 GHDWIFTUSXQYGK-BQDHKBFISA-N 352.272 3.721 0 1 FHAF CCN(CCCCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Cc1ccccc1 253636732 PFRKWGPEPSNREK-WOJBJXKFSA-N 356.510 3.854 0 1 FHAF COCc1cccc(NC(=O)Nc2cccc3c2[C@@H]2CCCCN2C3=O)n1 653740766 YHJZSFHIQAQIBG-INIZCTEOSA-N 366.421 3.553 0 1 FHAF Cn1cnc(-c2cc(NC(=O)N=c3cc[nH]cc3)cc(C(F)(F)F)c2)c1 653705333 RCBOFGVMJMAYFN-UHFFFAOYSA-N 361.327 3.567 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1cnccc12 587589212 WIFKCPCRXZKQBF-KNQAVFIVSA-N 359.381 3.981 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cccc4c1OC(F)(F)O4)[C@@H](C2)C3=O 587424655 RAOHZFHYMZVLLO-KPZWWZAWSA-N 360.312 3.680 0 1 FHAF CC(=O)Nc1ccc(Cl)c(-c2nc3c(Br)ccnc3[nH]2)c1 587049368 HMAZWVROLZPQAZ-UHFFFAOYSA-N 365.618 3.999 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)C[C@H]1C)O2 587396257 REJGTZIGIJREMI-OPAMFIHVSA-N 350.462 3.823 0 1 FHAF CC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)COCOC1 587356608 KKYFFCGSKCREES-RXVVDRJESA-N 372.392 3.660 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C)N)N1 587750894 VGEYLTAWOUNKTE-FMTVUPSXSA-N 363.274 3.713 0 1 FHAF CCO[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H]1Oc1ccccc1 587403389 LQABIALSNDGDHP-HMXCVIKNSA-N 353.418 3.538 0 1 FHAF CCn1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587761646 BORDPYYFSSSVGH-XXFAHNHDSA-N 352.251 3.737 0 1 FHAF CC(C)COc1cccc(OCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 587566084 TWOKBAMAAYDTOK-UHFFFAOYSA-N 367.449 3.879 0 1 FHAF Nc1ccc(-c2cc(O)n(NCc3ccccc3Br)c2O)cc1 587942014 YASRXXDILLBYMG-UHFFFAOYSA-N 374.238 3.655 0 1 FHAF O=C(c1cc(F)c(F)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651067 AZPRGHHZRFDZAH-UHFFFAOYSA-N 355.127 3.670 0 1 FHAF Cc1c(Br)ccc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c12 586924484 APZRYICSWMHTPF-UHFFFAOYSA-N 365.252 3.704 0 1 FHAF CN1CCc2c(Br)cccc2[C@@]12CC[C@H](C(F)(F)CN)C2 963279308 GQSOYLWKBHAJGH-NHYWBVRUSA-N 359.258 3.526 0 1 FHAF Cc1ccc(-n2nnc([C@@]3(C)NCCc4c3sc(C)c4C)c2C)cc1 963019456 HHRQZLKONIXMIL-HXUWFJFHSA-N 352.507 3.972 0 1 FHAF CN(C)C(=O)CCCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 1857540204 SYHPLBVJJGSIET-LJQANCHMSA-N 350.890 3.527 0 1 FHAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2nccs2)[C@@H]1c1cccs1 6875399 FGTQTCFAIZNTPD-GJZGRUSLSA-N 369.471 3.754 0 1 FHAF COc1cc2c3c4c(cc5c3n(c2cc1OC)C(=O)CC5(C)C)CCNC4 13558736 BOKGVUFNDGIOAI-UHFFFAOYSA-N 364.445 3.779 0 1 FHAF COc1ccc([C@@H](C)NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1 13863219 GUESXEAKIHDRJT-LLVKDONJSA-N 356.809 3.890 0 1 FHAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@H]([C@@H](C)C(=O)NC(C)(C)C)C2 25206538 JPSQRORSWLYHIK-AEFFLSMTSA-N 374.569 3.900 0 1 FHAF biogenic CCCCNC[C@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 29557822 GRSLVSKGQYDPLW-KRWDZBQOSA-N 367.445 3.589 0 1 FHAF O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1cccnc1 29558546 QOFWWNRCEIPMLU-UHFFFAOYSA-N 368.400 3.930 0 1 FHAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C)C(=O)O)cn1 34717798 XKLUVXAVDPISGS-CQSZACIVSA-N 366.417 3.930 0 1 FHAF CC(C)c1ccc(OCCCN2CCN(c3ccc(Cl)nn3)CC2)cc1 66075134 DYHAMFRWIDVNQP-UHFFFAOYSA-N 374.916 3.845 0 1 FHAF CC(C)c1nn2cccc3c2c1C1=NN(Cc2ccccc2)C(=O)C[C@@H]1C3 71340950 NQGGECMPINHXDK-KRWDZBQOSA-N 358.445 3.767 0 1 FHAF Cc1onc(-c2ccccc2)c1-c1ccnc(NC2CCC(O)CC2)n1 71788642 HOQWCELNTHTYAP-UHFFFAOYSA-N 350.422 3.822 0 1 FHAF investigational COC(=N)c1nc2ccc3ncnc(Nc4ccc(O)c(F)c4)c3c2s1 96270437 JMENQRYRZLNDDO-UHFFFAOYSA-N 369.381 3.800 0 1 FHAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccc(O)c1 103530913 BWZIYIZWSFRHBZ-CYBMUJFWSA-N 355.419 3.824 0 1 FHAF COC(=O)[C@@H]1[C@@H](OC(c2ccccc2)c2ccccc2)C[C@@H]2CC[C@@H]1N2C 168505328 JHZOGWJGKSOSOG-TUFLPTIASA-N 365.473 3.817 0 1 FHAF CNC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169313778 RZFLKYKMLWACOU-XKPWIFIJSA-N 351.277 3.606 0 1 FHAF COc1ccnc(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)c(C)c2)c1C 261073480 AMWVMPZDMQEAGC-UHFFFAOYSA-N 351.406 3.866 0 1 FHAF O=C1CCC[C@@H](c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC1 586885113 XKQKQTSKXPGPNV-MRVPVSSYSA-N 351.200 3.640 0 1 FHAF OCc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586999377 YXUVVZGVIILXRG-DUXPYHPUSA-N 373.206 3.717 0 1 FHAF Cc1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1 587182441 ORMAIVKTHWMQGI-JTQLQIEISA-N 366.206 3.590 0 1 FHAF COC(=O)Nc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cn1 587245766 XHAHXPSXFZMMNI-UHFFFAOYSA-N 365.162 3.705 0 1 FHAF C[C@@]1(c2ccc(O)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337647 MDSDAINRHBQELT-FPOVZHCZSA-N 365.360 3.906 0 1 FHAF Cn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587345263 ZEMKMILKVATWPH-ICSRJNTNSA-N 352.365 3.539 0 1 FHAF COc1cccc([C@@]2([C@H](C)CN(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587385998 GIXILLXRZIJWDO-QRQCRPRQSA-N 368.477 3.644 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4cccnc4O)c1)[C@@H](C2)C3=O 587436400 PSKBQVKKTMDLHL-LAUBAEHRSA-N 359.381 3.952 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1COC(=O)C1)CC2=O 587493159 SHKVRAVJHFXAMQ-OYHNWAKOSA-N 366.413 3.769 0 1 FHAF C[C@@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(N)=O 587511438 PXRVFPDRCKMVEB-ZUOKHONESA-N 365.429 3.525 0 1 FHAF O=Cc1sccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615869 ZLXIYAYXGUUWFT-LPHOPBHVSA-N 352.367 3.969 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1ccc(F)cc1F 587651581 MXWYXZJQLKAJLP-UHFFFAOYSA-N 351.765 3.573 0 1 FHAF CC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)c1 587748615 ANXCVTCFNLINOF-VVVCHXIZSA-N 365.246 3.753 0 1 FHAF CC(C)N1C[C@@H](C)[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587759329 FXDITXIYUBGMEI-PSTGCABASA-N 355.295 3.678 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2csc(/C=C(\N)c3ccccc3)n2)cc1 587923966 VKAKIMOXNIGGPS-WJDWOHSUSA-N 371.487 3.638 0 1 FHAF Cc1cc([C@@]2(C(F)(F)F)N[C@H](C(=O)O)Cc3cccc(F)c32)ccc1F 962893994 GQLMAXDEGNCRJJ-WMLDXEAASA-N 371.305 3.678 0 1 FHAF COCCn1c(C)c(C)c([C@@H]2NCCc3c(OC)ccc(Cl)c32)c1C 963259708 TVNMDMZBYOYMHT-FQEVSTJZSA-N 362.901 3.957 0 1 FHAF CC(=O)Nc1ccc(-c2ccc3ncc(-c4ccc(CO)cc4)n3n2)cc1 1857599600 HUUDFBUNWIHHMS-UHFFFAOYSA-N 358.401 3.514 0 1 FHAF CN(C)C(=O)C1CCN(c2cnccc2-c2nc3ccccc3s2)CC1 1857601830 FYFUVBXELSAOPI-UHFFFAOYSA-N 366.490 3.663 0 1 FHAF CCOC(=O)C1=C(N)Oc2cc(N(C)C)ccc2[C@@H]1c1cccc(Cl)c1 1857654869 HOVOUHOEFAJXSB-KRWDZBQOSA-N 372.852 3.664 0 1 FHAF CC1(C)Oc2ccc3c(=O)cc(-c4ccc(F)cc4)oc3c2[C@@H]1C(=O)O 5742409 BNXPSWIKHDGCLZ-QGZVFWFLSA-N 354.333 3.938 0 1 FHAF Nc1nc(N)c2nc(CNc3cc(Cl)c(Cl)c(Cl)c3)ccc2n1 5974280 JBJCNGDWWRTSBU-UHFFFAOYSA-N 369.643 3.762 0 1 FHAF O=C(N[C@@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@@H]1CCC[C@H]2C1 13451325 ZIAMDRHEQRSMSY-JCKWVBRZSA-N 360.885 3.583 0 1 FHAF CS(=O)(=O)c1ccc(-c2nn3cccnc3c2-c2ccc(F)cc2)cc1 13861590 GEHWHZMVFWHVDK-UHFFFAOYSA-N 367.405 3.606 0 1 FHAF C[C@H]1CN[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 22938509 ANYGZQHMXQTJQV-CVEARBPZSA-N 360.448 3.753 0 1 FHAF COCOc1cc(/C=C/c2ccc(OC(C)=O)cc2)cc(OCOC)c1 38192617 TZTGESNRHUMVJV-SNAWJCMRSA-N 358.390 3.748 0 1 FHAF Cc1c(Cc2c(F)cccc2F)nc(SCc2cccnc2)[nH]c1=O 40395251 RCTIZOPYLNKTAV-UHFFFAOYSA-N 359.401 3.635 0 1 FHAF C=CC(=O)Nc1ccc(Oc2ncnc3[nH]cc(-c4cccnc4)c23)cc1 66102528 OOKZBILGZXFXQU-UHFFFAOYSA-N 357.373 3.937 0 1 FHAF COc1ccc([C@H](c2ccc3c(c2)OCO3)[C@H](C)[C@H](C)CO)cc1OC 85641945 KGDBNDDWKNDHSU-ZMOMAAQPSA-N 358.434 3.829 0 1 FHAF biogenic O=C(/N=c1\[nH]cc(-c2ccc(Cl)cc2)[nH]1)c1n[nH]cc1-c1ccccc1 95561651 KNEZDJWIBNEHNN-UHFFFAOYSA-N 363.808 3.794 0 1 FHAF C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)c1cccc(F)c1)[C@H](CO)N2 95668041 SAERRMQFEFJCKP-VZTRTEKASA-N 366.436 3.849 0 1 FHAF Cc1cc(-c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)no1 103202300 DBDPHFARCUFLJW-UHFFFAOYSA-N 357.316 3.890 0 1 FHAF Cc1c(O)cccc1-c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1 103255608 GTQOUNMUULYWFG-UHFFFAOYSA-N 353.426 3.575 0 1 FHAF in-vitro COc1cc2nc3c(O)n(Cc4ccc(Cl)cc4)cnc-3c2cc1OC 103591037 PUUULPYUOGKMEA-UHFFFAOYSA-N 369.808 3.961 0 1 FHAF COc1ccccc1[C@H](O)c1n[nH]/c(=N/c2ccc(F)c(Cl)c2)s1 103780436 QBJMWSXYBZPKQU-AWEZNQCLSA-N 365.817 3.586 0 1 FHAF O=N/C=C1/C=CC=CN1COCCCCOCN1C=CC=C/C1=C\N=O 137893364 DSWLQGCMIBXIOH-SIJTWYJSSA-N 358.398 3.701 0 1 FHAF N#Cc1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 205667196 AEULCOQYMJLJAL-UHFFFAOYSA-N 359.360 3.562 0 1 FHAF CC(=O)NCCOc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 216006638 NWINTRMXZDHKDU-UHFFFAOYSA-N 372.808 3.701 0 1 FHAF CC(C)[C@@H]1CC[C@@]2(C)CC[C@@H](O)[C@](C)(O)[C@@H]2[C@@H]1OC(=O)c1ccccc1 238735680 RXVCZDOTHIPSJB-QFJIJFTOSA-N 360.494 3.806 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)oc12 586902881 CTKQIACZFNSOGE-UHFFFAOYSA-N 361.357 3.682 0 1 FHAF Clc1cnc(Br)c(-c2nc3cnc4ccccc4c3[nH]2)n1 587005241 DQNGMUNUQRLCPQ-UHFFFAOYSA-N 360.602 3.984 0 1 FHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Cl)cnc3[nH]2)cs1 587014085 JOXQVSCILIJSAS-UHFFFAOYSA-N 365.846 3.760 0 1 FHAF CC(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587150719 TXQNVNJWTWWFSC-AWEZNQCLSA-N 369.371 3.560 0 1 FHAF Cc1nc(-c2cccc(F)c2)sc1-c1ccc2c(O)nc(O)nc2n1 587367953 CYMITSUMZFQQAU-UHFFFAOYSA-N 354.366 3.674 0 1 FHAF COC(=O)c1cc(Cl)ccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587378711 PDWPFZZGJWPXHZ-IBGZPJMESA-N 359.809 3.898 0 1 FHAF CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587399704 LDBQFBXDKMKPLS-IVZQSRNASA-N 365.429 3.878 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCCN(C)C)[C@@H](C2)C3=O 587428548 JVTBDFYGEOLVCB-HTAPYJJXSA-N 367.445 3.514 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cnn(C)c1)CC2=O 587474436 DZOCYIATSXRTIR-JOCHJYFZSA-N 362.429 3.987 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2[nH]1 587588370 KCPDSWWIFLFWGR-YLJYHZDGSA-N 358.353 3.971 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COCc1ccccc12 587607167 GIFABHJETUEKGO-SIKLNZKXSA-N 360.365 3.780 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn3nccc23)N1 587792450 HPJIXPPPXRJLQX-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF Cc1ccccc1Cc1cnc(NC(=O)CSc2ncccn2)s1 653700709 JVNSVTMQBPJTMV-UHFFFAOYSA-N 356.476 3.563 0 1 FHAF CCCC[C@H](CCC(=O)O)NC(=O)CCCCC(=O)Nc1ccccc1 653861671 CAHYHNACHHQHPG-QGZVFWFLSA-N 362.470 3.725 0 1 FHAF O=C(O)CCCCCONC1=CCCOc2ccc(Br)cc21 957575751 CXHBNBNQNSRDQE-UHFFFAOYSA-N 370.243 3.739 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc(S(C)(=O)=O)c2)N1 962962516 WCLCMOPVUNLKEV-BTYIYWSLSA-N 368.502 3.759 0 1 FHAF CN1C(=O)C[C@H]2CN[C@]3(CCc4ccc(C(F)(F)F)cc43)c3cccc1c32 963016744 BXNMBIRXZXDQRD-RNODOKPDSA-N 372.390 3.949 0 1 FHAF CC(=O)Nc1cccc(-c2cc(C(=O)O)cc(-c3cccc(C(N)=O)c3)c2)c1 1857641087 RTWBFURQFYFALL-UHFFFAOYSA-N 374.396 3.776 0 1 FHAF C1=N[C@@H]2[C@H](N=NN2Cc2ccccc2)C(Sc2nc3ccccc3o2)=N1 1857750034 TTZAXHQGXJNBKA-HOTGVXAUSA-N 362.418 3.938 0 1 FHAF CCCC[C@](C)(O)CC=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCCO 2356331860 SPOAFZKFCYREMW-ZFMNYDKASA-N 354.531 3.773 0 1 FHAF CO[C@]12CCCC[C@@H]1[C@@H]1O[C@@H](C)[C@H](C)c3c(C)c(O)c(C(=O)O)c(c31)O2 2356552092 CTZMTGUUUISDOM-AMDFCSHFSA-N 362.422 3.887 0 1 FHAF CON(C)C(=O)[C@@H]1CCN(Cc2ccccc2)C[C@H]1[C@@H]1C=CC(Cl)=CC1 2356622518 HOBZZRZRYVOMIN-RLLQIKCJSA-N 374.912 3.843 0 1 FHAF COc1cc2cc(C=C[C@@H](C)O)c3c(c2cc1OC)C[C@H]1CCCN1C3 2356669583 HIVKDOZRSFLVCE-RHSMWYFYSA-N 353.462 3.772 0 1 FHAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)(C)CO)cc1 775838 RNLMZOPWMMPOIY-UHFFFAOYSA-N 374.481 3.786 0 1 FHAF COc1ccc([C@@H]2C[C@@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1 2918587 AXTUHCPASKJLIR-GJZGRUSLSA-N 359.792 3.621 0 1 FHAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(F)c1 58581511 BRTWTWMDMIYMFY-QGZVFWFLSA-N 361.413 3.575 0 1 FHAF CN1[C@H]2CC[C@H]1CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100870094 BBVCHKBRDIGQFY-SFTDATJTSA-N 372.459 3.849 0 1 FHAF COc1cc2c(cc1OCCC[18F])CCN1C[C@@H](CC(C)C)[C@H](O)C[C@H]21 100529342 GNKGXQHHUUEYQV-WTHAECTESA-N 364.492 3.760 0 1 FHAF in-man COc1cccc2c1C[C@@](CCN(C)C)(c1ccc(Cl)cc1)N(C)C2=O 53244141 NBJNYWWBLPKFAW-NRFANRHFSA-N 372.896 3.824 0 1 FHAF COC(=O)c1cc2ccc(OCCc3ccc(Cl)cc3)cc2oc1=O 103270415 BCJKVIGAOPGVQV-UHFFFAOYSA-N 358.777 3.855 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(SC)nn2[C@@H]1c1ccccc1OCC 103531594 FYSJAVDWDCODOR-VZHUHSAUSA-N 374.466 3.900 0 1 FHAF COc1cc([C@H]2CN=C(c3cc4ccccc4n3C)O2)cc(OC)c1OC 27523188 DYFMCCXYZWOPNP-LJQANCHMSA-N 366.417 3.722 0 1 FHAF CC1=C[C]2C=CC3=C(O[C@@H](C(C)(C)O)C3)C2=CN1[C@@H](CC(C)C)C(=O)O 2356836598 WWRFJAZYHXIPOW-ZWKOTPCHSA-N 358.458 3.547 0 1 FHAF O=C(O)c1cc2cc(Br)cc(OCCc3ccncc3)c2o1 71282396 JXSSCPMIHVAWFG-UHFFFAOYSA-N 362.179 3.910 0 1 FHAF CN(CC(=O)NCC1CCCCC1)C(=O)c1csc(-c2ccccc2)n1 82073672 CWJFKIDFEHQWPI-UHFFFAOYSA-N 371.506 3.579 0 1 FHAF CCCC[C@H](/C=C1/C[C@](CO)(COC(=O)c2ccccc2)OC1=O)CC 40896058 FHHQZFCFVOYPNH-XTIGRCASSA-N 360.450 3.664 0 1 FHAF O=C(OCc1ccccc1)[C@@H]1COC(c2cccnc2Oc2ccccc2)=N1 49115695 DZDWNRFAVRHXLH-IBGZPJMESA-N 374.396 3.763 0 1 FHAF CC(C)=CC[C@@H](O)[C@H](C)CCC/C(C)=C/CC[C@H](C)C[C@@H](O)[C@@H](N)CO 96095119 ASNURABVVXFZSH-IKOKRXFNSA-N 369.590 3.943 0 1 FHAF in-vitro CNc1ncccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587743456 OPBDZNPADPPVEU-RFAUZJTJSA-N 350.235 3.649 0 1 FHAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc4cn[nH]c4cc3[nH]2)cs1 587020018 BZTQDDJVVVTRID-UHFFFAOYSA-N 370.438 3.834 0 1 FHAF COc1cc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ncn1 587105991 JABJXPREYYGAQX-UHFFFAOYSA-N 353.381 3.836 0 1 FHAF Cc1ncc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587772717 GHZMCAWJHVNKHC-HUTHGQBESA-N 364.262 3.793 0 1 FHAF C[C@@]1(C2(C(=O)O)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354215 PVQMIEGBGKRNKY-VQIMIIECSA-N 356.349 3.514 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C(C)=O)c(C)nc1C)[C@@H](C2)C3=O 587436653 STDQUCHTKKYMGB-UWJYYQICSA-N 351.402 3.572 0 1 FHAF COc1cc(O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598968 CPFAOHLQBNDJEW-NQIIRXRSSA-N 364.353 3.809 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(C)c(C)c1)O2 587408192 NYLNYGKQTSZWJA-NRFANRHFSA-N 353.418 3.920 0 1 FHAF Cc1ccc(NC(=O)CSCCc2nc3c(Cl)ccnc3[nH]2)cc1 586971083 SRJFHPCZXRHSPH-UHFFFAOYSA-N 360.870 3.834 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3occ(C(=O)OC)c31)CC2=O 587484243 SCLNYOKBRSKOIG-NRFANRHFSA-N 370.401 3.921 0 1 FHAF Cc1nn(C)c(C)c1-c1[nH]c2ccc(F)c(Cl)c2c1N1CCOCC1 587632160 QVICAUPDQIGNLR-UHFFFAOYSA-N 362.836 3.814 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2cc[nH]c2c1 587591002 UAKRNWRXEHHQIZ-NQIIRXRSSA-N 358.353 3.971 0 1 FHAF O=C(O)c1coc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962636922 JKKUXVQKQGMHDP-DENIHFKCSA-N 374.440 3.814 0 1 FHAF COC[C@@H](C)[C@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955517 LCPPRSSYVBDSHL-DYVFJYSZSA-N 357.416 3.855 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(-c2ccccn2)o1 963612572 SKWOWQSKZZZQOF-ZSEKCTLFSA-N 350.418 3.982 0 1 FHAF COc1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1CO 962703499 MOAJORYIAFDQDX-IIBYNOLFSA-N 373.493 3.780 0 1 FHAF CC(C)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N1C(=O)C(=O)c2ccccc21 206051025 DAOYYYKPAVKRMC-INIZCTEOSA-N 358.482 3.572 0 3 FHAF Cc1c(N2CCOCC2)oc2c(C)c(OCc3ccccc3)ccc2c1=O 13832087 LNRKQFHYYNRERJ-UHFFFAOYSA-N 365.429 3.825 0 1 FHAF C/C1=C\C[C@H]2CNC(=O)c3cc([nH]c32)-c2cccc3nc(C)c(nc23)NC1 150028627 ASZCABSVZBJTKA-VKUYVZBCSA-N 359.433 3.522 0 1 FHAF COc1cc(N)ccc1-c1cc2c(c(=O)[nH]1)[C@@H](C1CCCCC1)N=[N+]2C 169700705 MEQLCCSBIKIYJU-LJQANCHMSA-O 353.446 3.994 0 1 FHAF Cc1ccc(NC(=O)c2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)c(C)c1 1857647608 AGXLYDHFSKEGCV-HNNXBMFYSA-N 363.461 3.889 0 1 FHAF CC(C)C(C/C=C1\C[C@](CO)(COC(=O)c2ccccc2)OC1=O)C(C)C 1655264 LBUKYFWZBTXWFE-RJSQPESZSA-N 374.477 3.766 0 1 FHAF O=Cc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@H]2c1cc(O)cc(O)c1 15262171 OQPLDSDBGSRXSC-PZJWPPBQSA-N 364.353 3.587 0 1 FHAF biogenic,in-vitro CCN(CC)CCN[C@@H]1c2cc(OC(C)C)ccc2OCc2ncccc21 22942250 HUAXUZOETALDFC-QFIPXVFZSA-N 369.509 3.782 0 1 FHAF CNc1nc2c(-c3cc(Br)c(Br)[nH]3)nccc2[nH]1 28705356 WBJXNPDPIGZKCD-UHFFFAOYSA-N 371.036 3.520 0 1 FHAF NC(=O)c1ccc(Oc2ccc3c(c2)CCN(Cc2ccccc2)CC3)nc1 28825025 AMTZKDOKNZADMQ-UHFFFAOYSA-N 373.456 3.574 0 1 FHAF CCCCCCNC(=O)c1cc(CO)cc(C(=O)NCCCCCC)c1 40972462 NHZWSCRIQHUVAR-UHFFFAOYSA-N 362.514 3.799 0 1 FHAF CN1N=C(c2ccc(OCCCN3CCCCC3)cc2)[C@@H]2CCC[C@H]2C1=O 72122640 ZWVLHXRFHSCJTO-WOJBJXKFSA-N 369.509 3.534 0 1 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@@H](C2)[C@H]1C[C@@H](C)C(=O)C3 100786983 JKRWGJJCQQNKLV-UPYFZQQASA-N 353.506 3.979 0 1 FHAF O=C(Nc1cccnc1Cl)c1cnn2c1NC(=C1CC1)C=C2C(F)F 102045276 AAWGXKDFFFEINN-UHFFFAOYSA-N 363.755 3.763 0 1 FHAF Cc1nc(N)nc2c1cc(-c1cccc(Cl)n1)c(=O)n2C1CCCC1 140015708 ZXICMWVHOQEEBU-UHFFFAOYSA-N 355.829 3.513 0 1 FHAF CCC[C@@H](C)COc1ccc([C@H](CO)NC(=O)Cc2ccccc2)cc1 146502626 WKYNMPQSWSISJD-UTKZUKDTSA-N 355.478 3.894 0 1 FHAF CC(C)(C)CNC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 166885086 ZNWWWTNFSATRAS-UHFFFAOYSA-N 374.448 3.791 0 1 FHAF CCOc1ccccc1NC(=O)[C@H]1C(C)=NC(=S)N[C@@H]1c1cccs1 169689673 OUHVJPNDVBKZNQ-JKSUJKDBSA-N 373.503 3.792 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)C[C@H](C)NC4=O)c2nc1NC(C)(C)C 206122974 YYOMMRYHXLZQAT-NSHDSACASA-N 363.465 3.818 0 1 FHAF CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@H](C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C 255273154 VKFMRYVPGACJBB-URAAYVLDSA-N 374.613 3.941 0 1 FHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C[C@]4(C)[C@@H]3CC[C@@]12C 299809998 BVTWUBQLAWUICA-BNNVHJPXSA-N 374.569 3.944 0 1 FHAF CCOC(=O)Cc1nc2ccc(O)c3c2c(c1CC)-c1ccccc1C3=O 586989776 QOGSNMMLEQOXBV-UHFFFAOYSA-N 361.397 3.820 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)Cc3ccccc3Cl)nc2c1 587059345 PVTSCYOPEYORDK-ZDUSSCGKSA-N 364.232 3.899 0 1 FHAF CCOC(=O)[C@@H]1[C@@H]2Cc3nc4cccc5c4c(c3[C@H]21)-c1ccccc1C5=O 587107273 RKHRTTWIGNMKRP-JSNMRZPZSA-N 355.393 3.895 0 1 FHAF COc1cc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1F 587110820 CWFCJIMLMBFBGS-UHFFFAOYSA-N 367.302 3.659 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587134528 MOWORWMOKJUAGR-CYBMUJFWSA-N 356.304 3.799 0 1 FHAF CCc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587149677 PJQGTQOIZBYXTD-CQSZACIVSA-N 355.388 3.920 0 1 FHAF CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440769 IEIJUFPRIRDNED-VGSWGCGISA-N 366.413 3.518 0 1 FHAF COc1cc2c3c(c1)O[C@]1(c4ccccc4CC14CCOCC4)[C@@H](C2)C3=O 587452770 LAEDWOFMGRFBJY-FDDCHVKYSA-N 362.425 3.691 0 1 FHAF CCCn1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576473 JDQNDGNWTIFVBD-YLJYHZDGSA-N 350.374 3.702 0 1 FHAF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@@](O)(c1nccn1C)C(F)(F)F 587629909 NGDYECWTTXEANV-CQSZACIVSA-N 361.726 3.801 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(C2CC2)N1 587741440 NDKNACSTOKXEGZ-OSXSJPMVSA-N 353.279 3.803 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCCCC2)N1 587765996 LUCYURRMMIMGOU-PXAZEXFGSA-N 355.295 3.824 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccccn23)N1 587773824 KBNBPPHSUJYPQV-BMLIUANNSA-N 360.230 3.860 0 1 FHAF C[C@@]1(c2ccc(S)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732032 VZYFJHQOIILLOG-WBVHZDCISA-N 351.393 3.885 0 1 FHAF Cc1ccccc1C[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974657 KXXHUEZEMBYXCX-HNAYVOBHSA-N 365.807 3.983 0 1 FHAF O=C(O)C[C@@H]1CCN(C2CCCCC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356382105 MZABUSPAVFEZKI-LSDHHAIUSA-N 373.472 3.990 0 1 FHAF COc1c(O)c(-c2ccc(O)cc2)c(O)c(OC)c1-c1ccc(O)cc1 2356833830 KKLITSGOJGCSJN-UHFFFAOYSA-N 354.358 3.860 0 1 FHAF CC(C)(C)C(=O)N1Cc2cc(-c3cccc(F)c3)ccc2-n2nncc2C1 95600296 TXNAHYXPGULCRD-UHFFFAOYSA-N 364.424 3.962 0 3 FHAF CC(=O)c1ccc([C@H]2C=C[C@@H](Oc3ccc(F)cc3C)[C@@H](CO)O2)cc1 7992628 ORMRPUROBPYGCF-NJDAHSKKSA-N 356.393 3.773 0 1 FHAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@@H]2CC[C@H]1N2 27549973 HBQKMASEGGGNBY-NMLBUPMWSA-N 352.478 3.788 0 1 FHAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(c3cncnc3)C[C@@H]2C1 29127794 GDPOVVOCCNPUOW-REWPJTCUSA-N 360.505 3.655 0 1 FHAF CN(Cc1nc2ccccc2n1CCCCN)[C@@H]1CCCc2cccnc21 35906845 IDGSHCFMEWBTLX-HXUWFJFHSA-N 363.509 3.680 0 1 FHAF O=C(O)Cn1c2c(c3ccccc31)CN(C(=O)c1cccc(Cl)c1)CC2 35931194 LINXGADXFCBIBN-UHFFFAOYSA-N 368.820 3.578 0 1 FHAF O=c1cc(-c2ccccc2)c2c(O)cc(I)cc2o1 42988473 KWFOXHLUMPOEPC-UHFFFAOYSA-N 364.138 3.770 0 1 FHAF O=S(=O)(c1cccc(F)c1)c1cn([C@H]2CCCNC2)c2ccccc12 49032678 ZDQCZXVTNASVOV-HNNXBMFYSA-N 358.438 3.538 0 1 FHAF COc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl 71340969 BVDQJBTXFOOYLP-UHFFFAOYSA-N 350.209 3.590 0 1 FHAF COc1cc(Cl)ccc1O[C@H](c1ccc(F)cc1)[C@H]1CNCCO1 89465224 OGUCJMOATTVEME-QZTJIDSGSA-N 351.805 3.596 0 1 FHAF in-vitro NC1CCC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1 96174963 QFYWUMPWXIJTRE-UHFFFAOYSA-N 359.433 3.593 0 1 FHAF CC[C@@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 101826774 KRRDPQUROQJNSW-LSUGYDDCSA-N 353.506 3.979 0 1 FHAF COc1cc(/C=C/c2cc(=O)c3c(OC)cccc3o2)cc(OC)c1OC 103171684 GQITUKOTYQYVAH-CMDGGOBGSA-N 368.385 3.998 0 1 FHAF c1ccc(C2=NO[C@H](c3c[nH]c4ccccc34)[C@H]2CN2CCOCC2)cc1 103287899 PDFYKKURFMOUES-SIKLNZKXSA-N 361.445 3.592 0 1 FHAF CC(C)(C(=O)O)[C@H]1CC[C@@]23C[C@@H](CC[C@H]2[C@@]1(C)CC(=O)O)[C@@]1(C)O[C@H]31 104373503 QGTMYAPGXJWNQR-JLWWFFESSA-N 350.455 3.562 0 1 FHAF in-man O=c1[nH]c(O)c(Cc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)s1 169722693 YJADOUNWUWALNR-UHFFFAOYSA-N 368.336 3.939 0 1 FHAF CCOc1n[nH]c(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c1Br 586980010 MKTPFDZBHCWDEW-UHFFFAOYSA-N 364.247 3.807 0 1 FHAF Brc1cnc2c(-c3nc4ccc5ncccc5c4[nH]3)cnn2c1 587007913 FXRIZGJZLYTNSE-UHFFFAOYSA-N 365.194 3.583 0 1 FHAF COc1ccc(Cl)c(-c2ccc(-c3nc4c[nH]c(=N)[nH]c-4n3)cc2F)c1 587143745 YMDLMFXTFNNDEJ-UHFFFAOYSA-N 369.787 3.852 0 1 FHAF CC1=C(c2ccc3nc(/C=C\c4ccc(F)cc4F)[nH]c3c2)NNC(=O)C1 587150116 KKWGJTJKMKYOLQ-DAXSKMNVSA-N 366.371 3.767 0 1 FHAF Fc1ccc2c(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)coc2c1 587175774 VUYBTHPGLLQHED-UHFFFAOYSA-N 351.381 3.947 0 1 FHAF C[C@@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)N(C)C 587192242 SNEMOEHDTUWJIR-ZETCQYMHSA-N 361.081 3.581 0 1 FHAF COC(=O)c1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cn1 587227208 WQQNVYTYKTTWIF-HNNXBMFYSA-N 374.441 3.501 0 1 FHAF CCN1C[C@H](C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347834 VDFRIIVSQCZHQX-JBZDTAIVSA-N 355.409 3.601 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCNC(=O)OCc1ccccc1)O2 587385228 CFQRUHFNWNYTJD-INIZCTEOSA-N 368.433 3.618 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1cc(F)cc(F)c1)O2 587385970 RSMYTFWKCXQSNV-LJQANCHMSA-N 361.344 3.581 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(Cc3ccccc3)C(C)(C)C1)O2 587393237 ZYQDQEYAXYDZBG-QFIPXVFZSA-N 350.462 3.966 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1oc3cccnc3c1N)CC2=O 587468052 AHXRJSTYSLPMBT-FQEVSTJZSA-N 352.390 3.949 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c3oc(=N)[nH]c3c1)CC2=O 587468129 BGVJGLZWWFQQCZ-INIZCTEOSA-N 368.389 3.614 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(N)cc1)CC2=O 587472764 MQIPZWPEEHCBEV-NRFANRHFSA-N 369.417 3.652 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3cncn3)c(C)c1)CC2=O 587479621 UNMILFBBKLUVRK-HXUWFJFHSA-N 363.417 3.940 0 1 FHAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587586755 JLOXWEZWDYSSIM-WIYYLYMNSA-N 363.369 3.889 0 1 FHAF Cc1[nH]nc2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 587596711 REIXIYQYSKDKGG-YLJYHZDGSA-N 373.368 3.675 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc[nH]c2=N)N1 587697462 WGPGIKQVRLATBT-NXSYQRQQSA-N 370.653 3.673 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)cnn2C)N1 587697733 OXUXKGSJSARHTA-AYVTZFPOSA-N 372.669 3.773 0 1 FHAF CC(=O)N/C(=C/c1ccccc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874191 WPMBCJTWCBVOIS-RQZCQDPDSA-N 363.348 3.612 0 1 FHAF Cc1ccc2oc(=O)c([C@H]3NCCc4c3c(C(C)C)nn4C)c(Cl)c2c1 962910995 NWQKOPZCNDTVCH-IBGZPJMESA-N 371.868 3.847 0 1 FHAF COc1ccc(CO)cc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772628265 VNQHRIZRZXVFRG-KRWDZBQOSA-N 371.364 3.588 0 1 FHAF CC1=CCC(=O)CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@@H](C)C(C)=C[C@H]3C1 2356722102 YBJMYHSWNAFAFV-VSAHHWBXSA-N 357.494 3.614 0 1 FHAF CCOc1ccc(-c2nc(CSCC(=O)N3CCCC3)c(C)o2)cc1 3063503 STMUXYGKMFSDBD-UHFFFAOYSA-N 360.479 3.904 0 1 FHAF CCCCCCC1=NOC[C@]1(C)C(=O)NCCCN(C)c1ccccc1 4080377 YYURWXKVESCQIT-NRFANRHFSA-N 359.514 3.992 0 1 FHAF O=c1[nH]nc(-c2cccc(C(F)(F)F)c2)n1-c1cc(Cl)ccc1O 13558785 CEPQBUYVEMFRIL-UHFFFAOYSA-N 355.703 3.605 0 1 FHAF O=C(CCCc1cn(Cc2ccccc2)c2ccccc12)N1CCOCC1 28704735 JHGAHFOLZKFSMH-UHFFFAOYSA-N 362.473 3.871 0 1 FHAF COCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(C)cc2)s1 35312296 QNHRFLBPUYONCE-UHFFFAOYSA-N 371.437 3.946 0 1 FHAF I/C=C/CN1CCC[C@H]2Cc3ccccc3C[C@H]21 36237966 DBFOJAKARGTRKY-NBZFBGEYSA-N 353.247 3.815 0 1 FHAF CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1 40423971 SDACUZYAALMFIV-LJQANCHMSA-N 358.413 3.520 0 1 FHAF COc1cc(-c2nnc3c4c5c(sc4ncn23)CCCC5)ccc1O 45299015 KLXJVDMVLAAAQE-UHFFFAOYSA-N 352.419 3.599 0 1 FHAF CCN(CC)Cc1ccc(OCCCCCCN2CCN(C)CC2)cc1 49035349 DBQPVZOFHMFYNX-UHFFFAOYSA-N 361.574 3.715 0 1 FHAF O=C(NC1CCCCC1)c1nc(NCc2cccnc2)nc2ccsc12 49110346 JTMNJBCPWGVLEV-UHFFFAOYSA-N 367.478 3.761 0 1 FHAF Oc1cc(O)c2c(c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21 100722073 ADHWXDCGFHSEMV-KNQAVFIVSA-O 372.400 3.996 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C/C=C/C[18F] 102143591 LMVDJMCDHZLBFE-GPLWAYTKSA-N 350.852 3.975 0 1 FHAF O=c1[nH]nc2c3c(cccc13)N[C@@H](c1ccc(F)cc1)[C@H]2c1nccs1 117870816 MZEQOWHGLGJDMY-CVEARBPZSA-N 364.405 3.817 0 1 FHAF COc1ccccc1Cc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1 135697590 PDYMGMKCCPTMSH-UHFFFAOYSA-N 357.413 3.928 0 1 FHAF Cn1cc(-c2cc(C(=O)O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144810269 USBGNNNKGFLMJI-GOSISDBHSA-N 374.318 3.564 0 1 FHAF CCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 146779621 GTWJZXSSCNHGGN-UHFFFAOYSA-N 373.796 3.597 0 1 FHAF COC(=O)CCCC(=O)Nc1ccc(-c2nc3cc(OC)ccc3[nH]2)cc1 299831499 DVWIDCYGSFNSHE-UHFFFAOYSA-N 367.405 3.520 0 1 FHAF Cc1ccc2ccccc2c1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586883021 FHGQFXCUNWVOTO-UHFFFAOYSA-N 365.458 3.942 0 1 FHAF CCc1ccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2c1 586940952 LJAZDLLEYMCLKA-KHPPLWFESA-N 355.463 3.524 0 1 FHAF Cc1nc(=N)[nH]cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097487 JIVVXMNYCYCXCJ-UHFFFAOYSA-N 352.397 3.933 0 1 FHAF COC(=O)c1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2cn1 587138121 WSUKHDACLSWFII-UHFFFAOYSA-N 364.174 3.622 0 1 FHAF COC(=O)c1cc2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2cc1OC 587151635 SCYVMKIIAREPRA-VIFPVBQESA-N 362.332 3.776 0 1 FHAF CCc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409023 TWCUKSNJLHIHQQ-OAQYLSRUSA-N 353.418 3.865 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCc4cc(OC)c(OC)cc41)[C@@H](C2)C3=O 587445191 ZTGYKFYKZYGMAW-AOMKIAJQSA-N 366.413 3.692 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1coc4c(C)cc(C)cc4c1=O)[C@@H](C2)C3=O 587454644 VGIFLFLBPUGJHC-NYHFZMIOSA-N 362.381 3.907 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)CNCC3)CC2=O 587486640 SAVMQVVTUIJCSY-JOCHJYFZSA-N 351.446 3.871 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(N)=S)c1)CC2=O 587489234 BRWDLVARHFHWPG-FQEVSTJZSA-N 370.474 3.881 0 1 FHAF C=C1Nn2c(nc(C)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)S1 587539360 VTFGWBOAHUAJEH-MRXNPFEDSA-N 353.447 3.897 0 1 FHAF Cn1ncc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc21 587581768 MLWUGYXENGPLJC-SIKLNZKXSA-N 372.380 3.982 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1CCc1ccccn1 587657102 UYGZUHOBCLNQFJ-UHFFFAOYSA-N 363.367 3.979 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccn2C(F)F)N1 587713079 CAMGHKVSSPKGQR-MADCSZMMSA-N 360.177 3.803 0 1 FHAF COC[C@@]1(CC(=O)C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789696 DHHRLWSHRFTRDM-APPDUMDISA-N 372.278 3.579 0 1 FHAF Cc1[nH]c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C=O 587791266 KRVQVLBXWNCLKX-WNWIJWBNSA-N 365.246 3.969 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)O)CC2)N1 587826474 KXFFWOBGBKEUBW-PWGATLRDSA-N 356.235 3.593 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC3(CCOCC3)C2)N1 587835871 RCMMUILCWFKNQD-LLVKDONJSA-N 354.263 3.908 0 1 FHAF CCOC(=O)[C@H](C)n1cccc1[C@@H]1NCCc2c(OC)ccc(Cl)c21 963256542 DIWYMLXCNXCBNF-SGTLLEGYSA-N 362.857 3.509 0 1 FHAF CN(C)[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1cn(C)c2ccccc12 1772632163 RKNBLAXWKGGOHU-KNQAVFIVSA-N 351.469 3.847 0 1 FHAF COc1cc(C(=O)c2cccc(-c3ccc(N)cc3)n2)cc(OC)c1OC 1857577121 BAKBMXNDTHZBNN-UHFFFAOYSA-N 364.401 3.588 0 1 FHAF O=C(NCCCc1cccc(Cl)c1)c1cc2ccc(O)cc2oc1=O 1857612291 KGORESYAYSGRJJ-UHFFFAOYSA-N 357.793 3.515 0 1 FHAF COc1cc2c(cc1O)[C@@H](c1ccccc1Br)CN(C)CC2 1911582577 INKQJWHDGDLGDE-OAHLLOKOSA-N 362.267 3.783 0 1 FHAF C[C@@H]1[C@H](Cc2ccc3c(c2)OCO3)O[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1C 2356603813 LAESRKLDVMTTQV-ILWKUFEGSA-N 368.429 3.969 0 1 FHAF CCCCCC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356613188 CCCQPSWDXUUAAQ-HZPDHXFCSA-N 371.481 3.625 0 1 FHAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)C=C3[C@@H]2[C@@H]1CC[C@H]3[C@]1(C)CCCC(C)(C)C1 2356737010 JKXKYNJCCPSFNH-OASVVPNISA-N 362.466 3.964 0 1 FHAF CCNC(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1 3986364 PHHKWHBPRKFKKF-UHFFFAOYSA-N 369.494 3.823 0 1 FHAF in-vitro C[C@H](CN1C(=O)CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1=O)c1ccc(Cl)cc1 101677995 FNLOYSHYLCJHER-GKLJAUDBSA-N 374.868 3.813 0 1 FHAF CCN(CC)CCNC(=O)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@H]21 27999214 PBKDIZDDELFTGW-RHSMWYFYSA-N 350.890 3.830 0 1 FHAF Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccc(F)cc2O)cc1 117587238 PIILVXRJPRLCOF-UHFFFAOYSA-N 358.413 3.769 0 1 FHAF CSc1ccc2c(c1)c(S)c(C(=O)N(C)c1ccccc1)c(=O)n2C 100985869 GDZMQNUISREYQT-UHFFFAOYSA-N 370.499 3.826 0 1 FHAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100893493 VQKLFYFQQYOFJU-YNWKUBOOSA-N 367.537 3.808 0 1 FHAF CC=Cc1cc(OC)c2c(c1)[C@@H](CO)[C@H](c1cc(OC)c(O)c(OC)c1)O2 2356463803 NIYWVYHPXJLJBK-QRWLVFNGSA-N 372.417 3.661 0 1 FHAF COc1cc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)ccc1C1(O)CCC1 219335972 VSYFXONBARYZTH-UHFFFAOYSA-N 372.808 3.962 0 1 FHAF CN(C)c1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl 71333426 GKWKWNRPYJGSEN-UHFFFAOYSA-N 363.252 3.647 0 1 FHAF COc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1OC(C)(C)C=C2 14708754 SDUMAACMVUGGAC-MRXNPFEDSA-N 368.385 3.997 0 1 FHAF biogenic,in-vivo COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 40447749 AIFCUVNKIXTICB-CXIBLRSTSA-N 359.510 3.709 0 1 FHAF CCn1cc(-c2ccccc2)nc1[C@@H]1C[C@H]1c1nc2c(C)ncc(C)n2n1 96177981 CISKNCAOUCLBQG-IAGOWNOFSA-N 358.449 3.896 0 1 FHAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4C)OCO5)OC[C@H]23)ccc1O 263637611 OFCHTGCBFRTISG-LATRNWQMSA-N 370.401 3.513 0 1 FHAF COCCn1c(=O)oc2cc3ncnc(Nc4ccc(Cl)cc4)c3cc21 473124163 NJTYORGQXIMWAB-UHFFFAOYSA-N 370.796 3.581 0 1 FHAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCN1C(=O)OC(C)(C)C)CC2=O 587474923 IITTVXFOYKRSBP-YOEHRIQHSA-N 361.438 3.688 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(C)cc1-c1cnn(C)c1)[C@@H](C2)C3=O 587430371 DUSFAUHPPCYJEK-AVRDEDQJSA-N 360.413 3.893 0 1 FHAF CCOC(=O)c1ccc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2c1 587938007 RVGDYEZYQRFGNA-KZULUSFZSA-N 354.406 3.585 0 1 FHAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(O)nc(S)nc2[nH]1 587114567 UKYJOEDQLBQCIQ-SSDOTTSWSA-N 354.357 3.712 0 1 FHAF Cc1ncc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587774621 NBCBRIVXESRAEX-HUTHGQBESA-N 364.262 3.793 0 1 FHAF COC(=O)[C@@H](C)n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512312 MWDAYGZABLREKC-BFUOFWGJSA-N 353.418 3.807 0 1 FHAF CC[C@H]1OCCC[C@H]1c1nc2ccc(I)cc2[nH]1 586910202 GRRWWNKJZGNCSW-ZWNOBZJWSA-N 356.207 3.840 0 1 FHAF COc1cc2c3c(c1)O[C@](CCCCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587447948 WXXZWHOKMCHOPB-HTAPYJJXSA-N 366.413 3.983 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CCc1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587453038 NDHHMPYBYPUAPZ-AOMKIAJQSA-N 366.413 3.605 0 1 FHAF COc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Cl 587052992 XGYLAMUKVGSTKG-LLVKDONJSA-N 352.221 3.826 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1ccc3c(c1)CCO3)O2 587394545 HFNMVSZSIOZZGO-HSZRJFAPSA-N 372.424 3.816 0 1 FHAF COc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587856213 WTRJYPUJGCSMEI-WPPNPWJKSA-N 357.248 3.677 0 1 FHAF Nc1ccc(C(=O)CCc2nc3ccc(Br)c(F)c3[nH]2)cc1 587251447 HNQWGBLKPTXESC-UHFFFAOYSA-N 362.202 3.862 0 1 FHAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427546 IPUDCOGCTFAGJW-IMZWBVRYSA-N 353.393 3.553 0 1 FHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C)c(F)cc3[nH]2)c1 586929868 BTOYCHRGEZBZST-UHFFFAOYSA-N 361.442 3.708 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)c(F)c1)[C@@H](C2)C3=O 587426126 LKZZEBUEZLDXTJ-YCRPNKLZSA-N 353.393 3.923 0 1 FHAF C[C@H](O)c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615720 XPFBTCJOHFYGCL-XIWSCHCOSA-N 369.398 3.605 0 1 FHAF CC(=O)c1c(-c2cc(Cl)ccc2O)[nH]c2ccc(S(C)(=O)=O)cc12 587648937 JTIYETPSPRYXDB-UHFFFAOYSA-N 363.822 3.800 0 1 FHAF CCC1(CC)OC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 587610765 QOZCPPHMIMVZCX-UWVAXJGDSA-N 370.401 3.654 0 1 FHAF Cc1ccc([C@]2(c3ccccc3C(=O)O)NCCc3c(C)ccnc32)cc1 963071411 RRPXGTDSDZFBIF-HSZRJFAPSA-N 358.441 3.834 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c[nH]c2ncc(Cl)cc12 963636493 RJYANNPEOONHOL-YPMLDQLKSA-N 357.841 3.857 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)[C@H](C(C)=O)c1ccccc1 963047965 QRLBVWUAIXEIOH-OFNKIYASSA-N 360.457 3.977 0 1 FHAF Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)CC(F)(F)F)c1C 11720518 HCVIJYSWKIBRGN-AWEZNQCLSA-N 351.372 3.935 0 3 FHAF O=C(c1ccc(CSc2nc3cnccc3[nH]2)cc1)N1CCCCC1 13118795 KJGLNAGHMBUATJ-UHFFFAOYSA-N 352.463 3.876 0 3 FHAF CN1C[C@@H](NC(=O)C(C)(C)C)C[C@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 13826925 QXOFQMUQMXGKGQ-DETPVDSQSA-N 359.901 3.696 0 1 FHAF Cc1ccc2c(n1)CCN(c1ncnn3c(C)nc(-c4ccccc4F)c13)C2 169711769 NRECROFMGVWREL-UHFFFAOYSA-N 374.423 3.505 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1OC 169723939 OAFROFJQCKZNMF-AEFFLSMTSA-N 373.449 3.658 0 1 FHAF O=C(C[C@H](NCC1CC1)c1ccccc1)N1CCCOc2ccccc21 1857556685 FRJSFWUQFAITAN-IBGZPJMESA-N 350.462 3.933 0 1 FHAF Brc1ccc2[nH]c(-c3cncn3C[C@@H]3CCCCN3)cc2c1 1857629698 KAKIPBBHSOKMEY-AWEZNQCLSA-N 359.271 3.936 0 1 FHAF CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1cccc(O)c1 1857758013 HFBNDGYVWHOVKI-SFHVURJKSA-N 368.458 3.665 0 1 FHAF O[C@@H](CN1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 1857763131 VHQISNDFDYQFIV-SFHVURJKSA-N 351.277 3.849 0 1 FHAF O=C(N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)c1ccccc1 576674 SIFKDUJBOXTKPK-UONOGXRCSA-N 365.216 3.733 0 1 FHAF C[C@@H]1CCC[C@@H](C)N1CCCNc1ccc2nnc(-c3ccccc3)n2n1 5051447 CNVCRXUSVMKSFR-IAGOWNOFSA-N 364.497 3.856 0 1 FHAF O=C1O[C@H]2C=CC=CC2=C[C@H]1C(=O)N1CCS[C@H]1c1ccccc1Cl 5100272 LRACAJQOFCOBDM-ZVZYQTTQSA-N 373.861 3.508 0 1 FHAF COc1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528587 LNFJPTONXIOJGU-UHFFFAOYSA-N 374.389 3.525 0 1 FHAF COc1c(CC=C(C)C)cc([C@H]2COc3cc(O)ccc3C2=O)c(O)c1O 14762847 OHMBRCKLOAPNCF-MRXNPFEDSA-N 370.401 3.680 0 1 FHAF biogenic C=CC[C@]12C[C@H](OC)C(=O)C=C1O[C@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C 14856201 OMGCRXDVHRMBJV-JFFXSJSQSA-N 372.417 3.566 0 1 FHAF biogenic COc1cc2c(c(OC)c1OC)CC(C)=C(C)C[C@@H]2NC(=O)C(F)(F)F 38142327 MPAWGHQCKUVCHG-ZDUSSCGKSA-N 373.371 3.715 0 1 FHAF O=C1C(=O)N(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc21 40878094 TWPKESUBTHRMAQ-UHFFFAOYSA-N 355.699 3.968 0 1 FHAF CCCc1nc2c(NCc3cccc(F)c3)ncnc2n1C[C@@H]1CCCO1 82184674 QVSHKJLWVWQSSE-INIZCTEOSA-N 369.444 3.709 0 1 FHAF CN1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 139014555 IJMZXIAUXUQOHH-UHFFFAOYSA-N 361.449 3.764 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1OC1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 146860258 SPRAISFZWHQEFO-IGISWZIWSA-N 356.466 3.595 0 1 FHAF O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1cccc(F)c1Cl 147212589 MQNHFYLSWQUUNV-UHFFFAOYSA-N 356.784 3.764 0 1 FHAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(C(F)(F)F)cc1 169364344 DDASMJFFKOSRQN-FCGPWZJWSA-N 351.368 3.745 0 1 FHAF Clc1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1 200629590 MSXZNXONLLRUQQ-UHFFFAOYSA-N 372.819 3.979 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCOc2ncccc21 205614819 VXKSAGLRTGWRKM-GFCCVEGCSA-N 351.233 3.879 0 1 FHAF CC(=O)c1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2c1 587061586 VVZQGCGNGAIRRO-UHFFFAOYSA-N 363.808 3.955 0 1 FHAF Fc1cnc(Cl)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc12 587119936 ZGFQUQZFBGYZAX-UHFFFAOYSA-N 359.714 3.891 0 1 FHAF CC1=C(c2ccc3[nH]c(-c4ccc(OC(F)F)cc4)nc3c2)NNC(=O)C1 587130004 BUSGJLYVYXEKNO-UHFFFAOYSA-N 370.359 3.587 0 1 FHAF O=C(c1nc2c(C(=O)O)cccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132777 HIHCXHYAXQEQDC-UHFFFAOYSA-N 353.136 3.938 0 1 FHAF Fc1ccc(-c2nc3nccc(Br)c3[nH]2)nc1Br 587155085 JLXFHXZGVHLJGO-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(C(C)(C)C)cc2[nH]1 587225113 NPLRDSRXPBHBLP-CQSZACIVSA-N 351.450 3.944 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](COc1ccccc1Br)O2 587375502 DGEOGTOARNBEQR-NSHDSACASA-N 362.223 3.753 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(Oc4ncccn4)c1)[C@@H](C2)C3=O 587435611 HMYUMDQXTUELND-JTSKRJEESA-N 374.396 3.940 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)N[C@H](c3ccccc3)C1)CC2=O 587479513 CKLCTORDDMQBCP-JTSKRJEESA-N 365.429 3.700 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(O[C@@H](C)C(=O)O)c1)CC2=O 587479647 CNPOECQCYWFMMV-BUXKBTBVSA-N 370.401 3.903 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3nc[nH]n3)o1)CC2=O 587489464 CMEFUPBGQDSTOI-OAHLLOKOSA-N 371.418 3.914 0 1 FHAF N=c1[nH]c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2o1 587579052 YCLXNUBQTFUHBX-YLJYHZDGSA-N 374.352 3.649 0 1 FHAF C[C@@H](Oc1cccc(Cl)c1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651081 BMKIECDUMWHOBK-SNVBAGLBSA-N 363.200 3.811 0 1 FHAF Cc1cnn(CCF)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587712564 BDXUWTBRBRBYNW-BONVTDFDSA-N 370.241 3.686 0 1 FHAF Cc1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1C 587768899 DOFCYYNPKYCROZ-WNWIJWBNSA-N 364.262 3.927 0 1 FHAF CCc1nccnc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772462 NYDNDZUCWSCMHN-BTDLBPIBSA-N 364.262 3.738 0 1 FHAF CC(=O)NCCc1ccc(O[C@H]2CCC[C@@H](O)C2)cc1-c1cccc(F)c1 653739088 OPQQTXIBRDUNLP-UXHICEINSA-N 371.452 3.854 0 1 FHAF O=C1CCC2(CCC3(CC2)c2cccc(F)c2CCN3[C@H]2CCSC2)N1 962713705 SROYVXIMLPYLOB-VUZGARFFSA-N 374.525 3.607 0 1 FHAF Cc1cccc2nc([C@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)ccc12 963226159 KNKMCQWCCWPPJP-VXKWHMMOSA-N 369.424 3.780 0 1 FHAF c1ccc(CNC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772576464 ZKPHIGUGQLUGBW-QAQDUYKDSA-N 360.465 3.669 0 1 FHAF Cc1cc(N)nc(CCc2cc(CCCN(C)C)c(F)c(F)c2F)c1 1857598352 QBZKHLSOLPLXGI-UHFFFAOYSA-N 351.416 3.669 0 1 FHAF CO[C@H]1OC(=O)C(Br)=C1Nc1ccc(-c2ccccc2)cc1 1857640273 TXDIHDJPABOLNA-KRWDZBQOSA-N 360.207 3.901 0 1 FHAF COC(=O)C=C(C)C[C@H](O)[C@@]1(C)[C@@H]2CCC[C@@](C)(O)[C@]2(C)CC[C@H]1C 2356656075 PTXPYBHMAVQSPJ-VRNFHHEUSA-N 352.515 3.850 0 1 FHAF C[C@@H](C(=O)O)c1c([C@]2(C)CCCC(C)(C)C2)ccc2c1CN(CCN)C2=O 2356803246 WWHFEXUPYPPAKQ-JLCFBVMHSA-N 372.509 3.647 0 1 FHAF Fc1cccc(Cc2noc(CN3CCCC[C@H]3c3ccccn3)n2)c1 13636864 JASHGUXNKDWSIR-SFHVURJKSA-N 352.413 3.922 0 3 FHAF CC(C)C[C@@H]1NC(=O)c2cc(Cl)ccc2-n2c1nc1ccccc1c2=O 61949363 VOPDPSMCOVITQO-INIZCTEOSA-N 367.836 3.870 0 3 FHAF O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CCCCC1 2466659 HOMMVEDPAZBKRL-LEWJYISDSA-N 360.457 3.536 0 1 FHAF O=C(c1ccccc1)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl 26004792 BFTCKWLYJYEVHA-GOSISDBHSA-N 361.228 3.961 0 1 FHAF C[C@H](NC(=O)Cc1cccc(C(=O)O)c1)c1ccccc1N1CCCCC1 27562914 MADUIELAVWVYLW-INIZCTEOSA-N 366.461 3.795 0 1 FHAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]c2c1 28457211 ABDLPIQRPBGQPA-UHFFFAOYSA-N 355.390 3.742 0 1 FHAF CN(C)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 33982740 KHHBNVFVJFKYIK-NSHDSACASA-N 352.278 3.867 0 1 FHAF C[C@H](Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccccc1 42923078 HBWJRNJXHBRNHU-DOTOQJQBSA-N 358.869 3.893 0 1 FHAF CN(C)Cc1nc(-c2cccc(O)c2)n(-c2cccc(C(C)(C)C)c2)n1 45392153 GDUCKRLNGMKIKI-UHFFFAOYSA-N 350.466 3.999 0 1 FHAF C=CC1=C(C(=O)NCc2ccccc2F)[C@H](c2ccc(OC)cc2)OC1 82157775 FUGUPQHEQKVFAG-FQEVSTJZSA-N 353.393 3.705 0 1 FHAF CC(C)CNc1ncnc2c1nc(-c1cccs1)n2C[C@H]1CCCO1 82178037 YMVFLPDGHCEWEF-CYBMUJFWSA-N 357.483 3.802 0 1 FHAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCC[C@H](C(F)(F)F)C1 169348455 FPSZEQSAPQQKJQ-XDYDUSDXSA-N 353.340 3.786 0 1 FHAF Cc1c(C(=O)O)sc2nc(/C=C/c3ccc4[nH]ccc4c3)[nH]c(=O)c12 206369704 XWYHLZCWIXOFCN-HWKANZROSA-N 351.387 3.643 0 1 FHAF CC[C@@H](C)CN1C[C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 299813431 LZBCXHGIIMSXTK-AHBIMHKDSA-N 355.309 3.947 0 1 FHAF COc1ccc(-c2cnc(O)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 299824892 DZLJQGOPPJWNBC-UHFFFAOYSA-N 368.389 3.551 0 1 FHAF O=C1COc2cc3[nH]c(-c4cccc(-c5ccccc5CO)c4)nc3cc2N1 586895287 VWBCUOZPDBCYCF-UHFFFAOYSA-N 371.396 3.720 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 586915735 HCLZXRJVUIFENB-SPLOXXLWSA-N 364.401 3.551 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 586950807 MRUVVRGSBHCMMA-UHFFFAOYSA-N 357.769 3.533 0 1 FHAF CCOC(=O)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586993689 ZCQMQSIJWIXFJJ-LBPRGKRZSA-N 373.408 3.820 0 1 FHAF COc1cc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2cn1 587016589 CKKMMVGUTYVCIC-UHFFFAOYSA-N 374.429 3.804 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587042520 LDXKAONGDCGODV-MRVPVSSYSA-N 359.282 3.885 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N3CCCC3)nc1Cl)O2 587412686 KAKJWQNJAAJCIU-CYBMUJFWSA-N 363.870 3.994 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(OCc4ccccc4)no1)[C@@H](C2)C3=O 587437529 GIYIUZFXFWSPBX-YCRPNKLZSA-N 363.369 3.751 0 1 FHAF C[C@H]1CN(C(C)(C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)O1 587511945 AXRLEVHAJNMORU-QEEYODRMSA-N 357.494 3.787 0 1 FHAF COC(=O)C(=O)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cccc(F)c12 587633493 DYAIKQPWDOEXKT-UHFFFAOYSA-N 363.291 3.931 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccc3)c2c1 587649750 SSEFRJGNJAMBLL-UHFFFAOYSA-N 367.348 3.821 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1-c1ncc2c(n1)-c1ccccc1CCC2 587652881 MLFXEWNLNXAFCY-UHFFFAOYSA-N 374.831 3.985 0 1 FHAF CCn1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587754455 DOSLBYRYEWCPHE-BMLIUANNSA-N 366.278 3.911 0 1 FHAF CC(C)n1ccnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587758429 XNLFUQQVMNZOHC-ZUZCIYMTSA-N 352.251 3.989 0 1 FHAF CCCCOC(=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790785 GOGHVXFMCKFSJD-QFYYESIMSA-N 358.251 3.681 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](C(=O)O)C2)N1 587820119 ACXUKVMIKLRPKL-RBIVETJNSA-N 356.235 3.593 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2c(c1)CCO2 587870875 UNNPMHYBYPHVTQ-UHFFFAOYSA-N 352.365 3.711 0 1 FHAF O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2ccc3cc[nH]c3c2)c1 621431158 VCVCYKIGCOSYIF-LJQANCHMSA-N 360.413 3.761 0 1 FHAF COc1cc2c(cc1OC)[C@@]1(C=CN(C)c3ccccc31)N(C)[C@@H](C)C2 962635791 MMTNKZMTQJXYQO-NYHFZMIOSA-N 350.462 3.787 0 1 FHAF CCOc1ccc(-c2cc(NC(=O)c3ccccc3O)cnc2O)cc1 1857632646 KISYYBUWMRZTRL-UHFFFAOYSA-N 350.374 3.811 0 1 FHAF CC1=CCCC(C(=O)O)=CCc2cc(ccc2O)OC(C)(C)[C@H](O)CC1 2356531240 TWEYHQNEHHTSGK-LJQANCHMSA-N 360.450 3.984 0 1 FHAF C[C@H](O)[C@@]1(O)C[C@H]2[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 2356322155 ZOTNOPONJVMHKM-LXWRTJFDSA-N 350.543 3.892 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NC[C@H](O)CC 4213340 ZUWVZCCWAJUVPP-OIISXLGYSA-N 352.500 3.649 0 1 FHAF CCNc1cccnc1N1CCN(C(=O)c2ccc3ccccc3c2)CC1 6385414 ANIUBUJDCACIOW-UHFFFAOYSA-N 360.461 3.629 0 1 FHAF COc1cc([C@H]2Oc3c(OC)cc([C@@H](OC)[C@@H](C)O)cc3[C@H]2C)ccc1O 100822411 DHRVKFSLKMAPEL-ZDEMKHDWSA-N 374.433 3.715 0 1 FHAF endogenous,in-man COc1cc([C@H]2CN=C(c3ccc4[nH]ccc4c3)O2)cc(OC)c1OC 27517500 AZEJWYPFPRDKSL-GOSISDBHSA-N 352.390 3.712 0 1 FHAF Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1 28231723 ZMWBQFUTRRAQPO-UHFFFAOYSA-N 356.234 3.858 0 1 FHAF C[C@H]1CCC[C@@H](C)N1CCN[C@H]1c2ccccc2OCc2ncccc21 27872066 ATMKCXWXGQDJKI-HYFFOGBASA-N 351.494 3.916 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(SC)cc2)C[C@H]2CC[C@H]1N2CCCF 101281313 GBDCEJWZYYZILX-DDBAPUKQSA-N 351.487 3.878 0 1 FHAF OCCCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28091905 KXICMPQIFSWGAF-IFMALSPDSA-N 372.459 3.542 0 1 FHAF C[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 26265038 JXZCLKYXDXXIKF-AWEZNQCLSA-N 354.406 3.606 0 1 FHAF N=C(N)NCC(=CC(=O)O)CCCCCCCCCCCCCCO 2356615737 IZNDEDWJJFKEHC-UHFFFAOYSA-N 355.523 3.544 0 1 FHAF O=C1c2ccc(C(F)(F)F)cc2NC12CCN(CC1CCOCC1)CC2 1911580535 SEOHFPPIVJEKKB-UHFFFAOYSA-N 368.399 3.575 0 1 FHAF Cn1cc(-c2ccc3c(c2)COCC(=O)N3Cc2ccccc2Cl)cn1 74375488 HVHIUIPITRKFNT-UHFFFAOYSA-N 367.836 3.804 0 3 FHAF O=C(c1ccc(Cl)cc1)[C@H]1NS(=O)(=O)c2ccc(Cl)cc2S1 40380794 DIKVXFLKJHUGJR-AWEZNQCLSA-N 374.270 3.586 0 1 FHAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3oc4ccccc4c3C)C[C@@H]12 74378681 TVHZPSDZERZFAC-MJGOQNOKSA-N 360.413 3.925 0 3 FHAF Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1C(=O)Nc1cccnc1 40933702 OWBNNDBFOXLSDO-UHFFFAOYSA-N 374.444 3.961 0 1 FHAF CCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3cccc(F)c3)ccc1N(C)[C@H]2CO 95878404 SFMKYQRQRSGMSM-PIPMEXSNSA-N 368.452 3.603 0 1 FHAF NC(=O)c1ccccc1Nc1nc(NC2CCCCC2)nc2[nH]ccc12 230562757 UTXQMWRYJYCXFN-UHFFFAOYSA-N 350.426 3.545 0 1 FHAF Cn1c(CN2C[C@@H]3[C@H](COc4ccc(Cl)cc4)[C@@H]3C2)nc2ccccc21 253665253 ARALLKJJFONPRY-BCDXTJNWSA-N 367.880 3.984 0 1 FHAF CN(C)CCN[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 263591526 JXPRESUBWIPPEI-KBGGNQAYSA-N 360.586 3.830 0 3 FHAF O=C(NCc1ccco1)c1ccc(Cn2sc3ccccc3c2=O)cc1 299825392 JDNHXFZFWNJPTQ-UHFFFAOYSA-N 364.426 3.634 0 1 FHAF CCn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587578444 AEVXVANRCMZJRK-GHTZIAJQSA-N 364.401 3.794 0 1 FHAF O=C(O)c1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n[nH]c2c1 587527212 TYRZOUPNXUQDGX-SFHVURJKSA-N 362.385 3.846 0 1 FHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 587785820 OYTQZYDFHGQNSE-NWDGAFQWSA-N 372.222 3.664 0 1 FHAF Oc1nc2cc3nc(-c4cc(Br)c(F)cc4F)[nH]c3cc2[nH]1 587136419 PYGVAZIQLNKHLA-UHFFFAOYSA-N 365.137 3.853 0 1 FHAF CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(C)cc1 587207784 VTAPJWOIITVKMV-ZDUSSCGKSA-N 362.355 3.705 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)c(N)c1)O2 587378936 WZPLHZFSWIHNNI-QGZVFWFLSA-N 361.239 3.803 0 1 FHAF COc1ccc(O)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805768 HRDWOYCYDKRABB-XYZCENFISA-N 366.230 3.926 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029712 SXGWTZIYBGHKCA-KRWDZBQOSA-N 365.418 3.989 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(O)cc1)(c1ccccc1O)O2 587402807 CMQCHKROUNSAQI-QFIPXVFZSA-N 361.397 3.897 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(=N)[nH]c1-c1ccccc1)O2 587413886 QVNVAOKFQSWMRD-FQEVSTJZSA-N 365.458 3.994 0 1 FHAF CC(C)(C)OC(=O)N1CC(O[C@H]2Cc3c2nc2cccc4c2c3CC4)C1 587212868 RTJRCWYZTGPUTD-KRWDZBQOSA-N 352.434 3.567 0 1 FHAF CC(C)(C)C(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587515569 VDKZLDZUCAYMDB-UHFFFAOYSA-N 355.478 3.938 0 1 FHAF Cc1nc(-n2ncc3ccc(Cl)cc3c2=O)c2c(C)c(C)sc2n1 587653934 OMMWRTHUQXLFKT-UHFFFAOYSA-N 356.838 3.969 0 1 FHAF Cc1ccc(Cl)c(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587650633 APVJXUNNXRRXJO-UHFFFAOYSA-N 363.200 3.731 0 1 FHAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441254 JPASEQJUEHTONQ-LRAJWGHMSA-N 358.434 3.571 0 1 FHAF C[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@H]1CC(=O)O)-c1ccccc1C4=O 586991291 SJEQVOAGXADRFF-QWRGUYRKSA-N 359.381 3.902 0 1 FHAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(C(=N)N)cc2[nH]1 587075965 PFQYYUNIDWJSNO-UHFFFAOYSA-N 350.813 3.661 0 1 FHAF COC(=O)c1cc(Cl)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587420568 QIVVTVXLJLJHCY-KDOFPFPSSA-N 358.777 3.624 0 1 FHAF COc1ccc2c(c1OC)[C@H](C(C)C)N(C(=O)c1ccccc1N)CC2 963147546 QWTCUCFHNSARAB-IBGZPJMESA-N 354.450 3.682 0 1 FHAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1cn2c(n1)SCC2 962711519 PNEWBMNPVWGHTO-YVEFUNNKSA-N 361.511 3.581 0 1 FHAF O=C(COc1ccc(-c2cccc(F)c2)cc1)Cn1nnc2ccccc21 1772606180 TUKVWBGXAADOPV-UHFFFAOYSA-N 361.376 3.886 0 1 FHAF O=[S@](Cc1cc(OCc2ccccc2)ccn1)c1nc2cscc2[nH]1 13448738 WLDJQEAJNCYNQU-VWLOTQADSA-N 369.471 3.906 0 1 FHAF CCOC(=O)N1CCN(CCCOc2ccc(-c3ccsc3)cc2)CC1 13859970 FUYGZJGUDRONJU-UHFFFAOYSA-N 374.506 3.958 0 1 FHAF COc1ccc(-c2oc3c(OC)c(OC)cc(OC)c3c(=O)c2OC)cc1 14645231 OJHAJXCULJNLPI-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF biogenic COc1ccc(-c2cc(O)nc(-c3ccc4c(c3)OCO4)c2)c(OC)c1 1857542935 BAMQZFKKGBQMPQ-UHFFFAOYSA-N 351.358 3.867 0 1 FHAF O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[N@@]1S(=O)(=O)c1ccccc1 1857624202 VYYHECSZIFMLKM-RZUBCFFCSA-N 363.438 3.684 0 1 FHAF N[C@H](C[C@H](Cc1cccc(-c2cc3ccccc3s2)c1)C(=O)O)C(=O)O 13491588 MJXZACJLKXIVQE-JKSUJKDBSA-N 369.442 3.614 0 1 FHAF COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2cc1OC 1489363 PDHPVHXEKOECNM-UHFFFAOYSA-N 357.797 3.748 0 1 FHAF CCN1CCC[C@@H]1CNC(=O)c1cc2cc3cc(OC)ccc3nc2s1 4900563 UKMFFHUJYSXWQB-OAHLLOKOSA-N 369.490 3.672 0 1 FHAF CC[C@H](CCc1ccc(O)c(OC)c1)NC(=O)NCCc1ccccc1 13489533 AVXSTMOHFXVTMR-GOSISDBHSA-N 356.466 3.654 0 1 FHAF CCOC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(-c3cccn3CC)cc1)N2 36271207 TUTFNCHCPZEQJC-XODKDNOYSA-N 352.478 3.962 0 1 FHAF COCCN(C(=O)c1cc(C)cc(C)c1)c1nnc(-c2cccnc2)s1 40011241 QONGJWDJQMEXOC-UHFFFAOYSA-N 368.462 3.510 0 1 FHAF Cc1cccc(C)c1-c1nnc(NC(=O)c2ccc3c(c2)OCCO3)s1 43013723 UUUYZOZCHVWJEU-UHFFFAOYSA-N 367.430 3.845 0 1 FHAF C[C@H](Oc1cccc2c1ccc[n+]2[O-])c1cn(-c2ccc(Cl)cc2)nn1 43019958 KWGAZSLMUCKQFA-ZDUSSCGKSA-N 366.808 3.847 0 1 FHAF Cc1ccccc1CNc1nccc(NCCC(=O)Nc2ccccc2)n1 45201491 CQDBDALRFZIOGP-UHFFFAOYSA-N 361.449 3.838 0 1 FHAF O=C(O)Cn1c2c(c3cc(F)ccc31)CCN(Cc1ccccc1)C2=S 73198538 ARBQPBSKSGGLOH-UHFFFAOYSA-N 368.433 3.599 0 1 FHAF CCCN1CCC[C@@]2(CCN(Cc3cncn3C3CCCCC3)C2)C1=O 91985414 CPRBBPQHAJAWNW-NRFANRHFSA-N 358.530 3.613 0 1 FHAF CCCCC[C@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 95575264 YWPZJIRZKHAKDC-LBPRGKRZSA-N 353.430 3.652 0 1 FHAF CC(C)n1cc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cn1 96282526 AYPDRLYCPNYUMB-UHFFFAOYSA-N 362.393 3.616 0 1 FHAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)N[C@H](Cc1ccccc1)C2 167970119 AWPOTFMSIHTEFD-GFCCVEGCSA-N 355.488 3.757 0 1 FHAF COc1ccc([C@@H]2NC(=S)N=C3c4ccc(OC)cc4CC[C@H]32)cc1 169691782 GJVVTFSEYJXNDO-ROUUACIJSA-N 352.459 3.685 0 1 FHAF COCCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 216332728 CJSLAEPRHRSBNL-UHFFFAOYSA-N 350.426 3.807 0 1 FHAF Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)ncc(=O)n1C 261116418 IVYPKTLOXADZFD-UHFFFAOYSA-N 373.359 3.853 0 1 FHAF Cc1cnc2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 587001898 ADOHBOKCDSGPTJ-JTQLQIEISA-N 372.222 3.664 0 1 FHAF N=c1[nH]ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587123591 RUTVCGFKCNSCAE-UHFFFAOYSA-N 354.357 3.702 0 1 FHAF Cc1cc(C)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc2c1 587237787 XIEXKDRZWZUDRA-UHFFFAOYSA-N 359.470 3.835 0 1 FHAF CCOc1ccc(C(=O)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587399103 HWMIVPFTLJPMAG-IBGZPJMESA-N 369.417 3.591 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c(CO)c1)CC2=O 587482726 VESVAALIARUCTN-HXUWFJFHSA-N 356.418 3.942 0 1 FHAF CC(C)[C@@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574532 XGEJCYAMAZTWCW-CHEXVVPLSA-N 353.418 3.824 0 1 FHAF COc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587728879 UCTYTMYPIWNCRR-VXJOIVPMSA-N 369.209 3.755 0 1 FHAF Cc1n[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801665 HSAIHEWWKYYBPW-ZKANADHPSA-N 352.251 3.726 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(CCOCC3)C2)N1 587835872 RCMMUILCWFKNQD-NSHDSACASA-N 354.263 3.908 0 1 FHAF COC(=O)c1ccc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c2c1 587926444 ZRDWHCIARPPGAS-UHFFFAOYSA-N 354.406 3.542 0 1 FHAF c1cncc(-n2c(CO[C@@H]3CCCCO3)nnc2SC2CCCC2)c1 618017740 XJYDGZYAXMBPCR-QGZVFWFLSA-N 360.483 3.740 0 1 FHAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN)cc12 653735652 HVWOQJZMRXDQFE-UHFFFAOYSA-N 366.461 3.902 0 1 FHAF Cn1nc(C(F)(F)F)c([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1F 963095919 DVJWDWXFYPSWDW-IINYFYTJSA-N 357.326 3.827 0 1 FHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cc(F)c(Cl)cc2F)N1 963236405 WSPJEESGUGNCAQ-MSOLQXFVSA-N 374.774 3.855 0 1 FHAF COc1ccc2c(c1)CC[C@@]1(C2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963602634 AGEBSZPBAYGAPT-PEBXRYMYSA-N 353.462 3.631 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cnc(N2CCCCC2)s1 963629362 BBFFPPOREGSTBH-YJYMSZOUSA-N 373.522 3.774 0 1 FHAF COc1cc(OC)c([C@H]2C[C@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 1772576278 DBXAOTZQZGEQHY-ZOXOGZHVSA-N 366.429 3.598 0 1 FHAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Br)cc1 2356320017 ZVTILUSQLGIBAF-DVOMOZLQSA-N 366.303 3.691 0 1 FHAF CC=CC=C[C@@H]1C[C@@H]2OC(C)(C)[C@@H]3CC=C(C)C[C@@H]3[C@@H]2[C@H](O)[C@H]1C(=O)O 2356333191 OOJIJOYRIABZDN-JUSAMEGKSA-N 360.494 3.966 0 1 FHAF COc1ccc([C@@H]2O[C@H](C3=C[C@H](OC)[C@H](OC)C=C3)[C@H](C)[C@H]2C)cc1OC 2356432738 KPICBHIDTSYCGW-NNEGKUQJSA-N 374.477 3.942 0 1 FHAF Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cccc35)CCC4)CC2)c1 598506 CRMFDTIZXDELMK-UHFFFAOYSA-N 374.532 3.964 0 1 FHAF COc1ccc(CNC(=O)c2nccn2Cc2ccc(Cl)cc2)cc1 9859924 APQFBJIIZRQILG-UHFFFAOYSA-N 355.825 3.523 0 1 FHAF CC1(C)C=Cc2c(O)cc3c(c2O1)[C@@H]1Oc2cc4c(cc2[C@@H]1CO3)OCO4 13378615 SAYHRUJEFVKWNL-HXPMCKFVSA-N 366.369 3.915 0 1 FHAF biogenic CCC(CC)N1CCN(C(=O)CCc2ccc(C(F)(F)F)cc2)CC1 13561118 VIQPWBWLSFILSD-UHFFFAOYSA-N 356.432 3.971 0 1 FHAF O=c1c(-c2ccsc2)nnc2n(Cc3ccccc3)c3ccccc3n12 13861562 OPOOEFWVXIMCRV-UHFFFAOYSA-N 358.426 3.821 0 1 FHAF C[C@H](NC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@@H]21)c1ccccc1 28466524 GDJCEUYIQJRPFO-URLQWDBASA-N 352.434 3.921 0 1 FHAF O=Cc1c(N2CCCCC2)oc2cc(N3CCCCC3)c(F)cc2c1=O 28571082 KTSZKIULJACEAD-UHFFFAOYSA-N 358.413 3.725 0 1 FHAF CCN1C[C@@H](CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21 28571447 XKYLLYRSYNHDDE-QGZVFWFLSA-N 353.441 3.727 0 1 FHAF O=C1Nc2ccccc2[C@H]1CCCCN1CCN(c2ccc(F)cc2)CC1 35996465 YNDUSHJSFHOHRB-HXUWFJFHSA-N 367.468 3.854 0 1 FHAF COc1cccc(Nc2nnc([C@@H](O)c3cc(F)c(F)c(F)c3)s2)c1 82078314 UERFVTAVNFWRRN-AWEZNQCLSA-N 367.352 3.789 0 1 FHAF O=C(c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1)N1CCCC1 82139989 CQDSYJNUVHAVOX-UHFFFAOYSA-N 354.429 3.509 0 1 FHAF CCN(C)c1ncc(C(=O)NCc2ccccc2)c(-c2ccc(F)cc2)n1 82141225 RUIYHRBLSPDHEU-UHFFFAOYSA-N 364.424 3.669 0 1 FHAF C=CC1=C(C(=O)NC2CCCCC2)[C@@H](c2ccc(OC)c(OC)c2)OC1 82158201 HXKLGRAWKIMNQD-HXUWFJFHSA-N 357.450 3.707 0 1 FHAF CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)COC(=O)c2ccc(Cl)cc2N)C1 101733359 XGWYJHQRZQXMAE-YJYMSZOUSA-N 364.873 3.506 0 1 FHAF COc1cccc(Nc2nccc(N(C)c3ccc4cn(C)nc4c3)n2)c1 103261685 AFUBCLLWIWQXNA-UHFFFAOYSA-N 360.421 3.883 0 1 FHAF CC1=Nc2ncnn2[C@@H](c2cccc(O)c2)/C1=C(/O)OCc1ccccc1 103540971 OCHZADUZDUJZPC-VZCCSQPZSA-N 362.389 3.666 0 1 FHAF CN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2o1 144194636 YXPGVFNAKFQXSA-UHFFFAOYSA-N 359.389 3.730 0 1 FHAF CCCCCc1ccc2c(c1)[C@]1(N=C(N)N(C)O1)C1(CCC(OC)CC1)C2 169700404 AHAWCXWSOMVMFE-FQUBMZHMSA-N 371.525 3.895 0 1 FHAF CN1CCOc2ccc(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cc21 169705000 WNPQNHYRUWERGH-DLBZAZTESA-N 351.450 3.973 0 1 FHAF Cc1nc(-c2ccccc2)sc1Cc1nc2c(S)nc(S)nc2[nH]1 587012930 VETHSZRLCSFEHA-UHFFFAOYSA-N 371.516 3.953 0 1 FHAF NC(=O)c1cccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587077659 WLVYAPGGSDRPSS-MRXNPFEDSA-N 354.841 3.652 0 1 FHAF O=C1CC=C(c2nc3cccc(Cl)c3[nH]2)NN1Cc1ccc(F)cc1 587162917 GVXHVKHUYBBTJU-UHFFFAOYSA-N 356.788 3.633 0 1 FHAF Nc1cc(C(=O)O)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587248720 CKWSUVNHZMXUCU-UHFFFAOYSA-N 368.137 3.551 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cc(Br)cnc13)O2 587373223 SJFIJANKOVDUPS-HNNXBMFYSA-N 372.222 3.923 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)CC1(F)F)O2 587383230 ZRYYNTLJYXYSEL-FQEVSTJZSA-N 372.415 3.822 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1CCCN1C(=O)OC(C)(C)C)O2 587397304 ZOSYWFWXEUMZIC-JXFKEZNVSA-N 360.454 3.701 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(C(F)(F)F)c1O)[C@@H](C2)C3=O 587419563 GVHIIWFRJUKYSQ-GTNSWQLSSA-N 350.292 3.908 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-n1ccnn1)CC2=O 587481076 XSDSYNQBYZVYHI-OAQYLSRUSA-N 363.417 3.806 0 1 FHAF C[C@@H]1CN(C[C@H]2CCCO2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587516231 AVJNCXLTPVXLTH-UQNRQAKVSA-N 369.505 3.790 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccn2ccnc2c1 587590403 ZXYXFCLMKAQDOM-GHTZIAJQSA-N 358.353 3.743 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2nccn2C)(C2CC2)N1 587756560 SCKBJEPSLAUUCD-DYZYQPBXSA-N 364.262 3.510 0 1 FHAF O=C(Cc1ccsc1)Nc1cnc2cnc(-c3ccccc3F)cn12 653670169 YPHXAZAQGYLOSE-UHFFFAOYSA-N 352.394 3.778 0 1 FHAF COc1cc2c(cc1OC)[C@@](CCCO)(c1ccc(F)cc1)N(C)[C@H](C)C2 962620386 GNQNYWZKJNFRHH-IVZQSRNASA-N 373.468 3.735 0 1 FHAF CCc1ncc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)[nH]1 962639735 LYRFXJRSTGCPLE-CVDCTZTESA-N 358.489 3.808 0 1 FHAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C[C@](C)(O)c1ccccc1 1772576676 NGEGLNLPWZDEEJ-PARPOCPVSA-N 351.490 3.824 0 1 FHAF O=C1[C@@H](N2CCC[C@H](c3ccc(O)cc3)C2)CCN1Cc1ccc(F)cc1 1772608954 CVKSVTHKTSNIGJ-RXVVDRJESA-N 368.452 3.512 0 1 FHAF CC[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2C[C@H](OC)C2=C[C@H](O)[C@H]3C[C@]21C(=O)O3 2356831023 JLKFAPDEQPJKJG-JDDVZPQTSA-N 358.478 3.541 0 1 FHAF C[C@H]1CCCN(C(=O)CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)C1 5625741 IUKOSEPLJGRTJW-AWEZNQCLSA-N 374.916 3.654 0 3 FHAF Cc1ccc(CN2CCCC[C@@H](NC(=O)Nc3cccc(F)c3)C2=O)cc1 200053793 UHXSGRDFEQVOLY-LJQANCHMSA-N 369.440 3.837 0 3 FHAF COc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccncc2)CC3)cc1 3955817 KPILUSAHPYZUAU-UHFFFAOYSA-N 365.477 3.613 0 1 FHAF CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(C(F)(F)F)cc1 13446308 QEWBPSJNNVONFC-QGZVFWFLSA-N 356.432 3.827 0 1 FHAF COc1cc2[nH]c(-c3ccc(C(=O)O)cc3)cc(=O)c2cc1-c1cnco1 13487592 REFCCVKTWAIDKV-UHFFFAOYSA-N 362.341 3.557 0 1 FHAF O=C1CS[C@@H](c2c(F)cccc2F)N1c1ccc(Br)cn1 13492445 LBRDMVUKHABDGX-AWEZNQCLSA-N 371.206 3.901 0 1 FHAF COC(=O)N1c2ccccc2-n2cnc(-c3noc(C4CC4)n3)c2C1(C)C 13735040 KNMWFESCWXOKNN-UHFFFAOYSA-N 365.393 3.621 0 1 FHAF CN(CC[C@H]1CN(C(=O)C2CCCC2)CC[C@H]1CC(=O)O)c1ccccc1 20463481 YUNFJIJUISZUHY-OALUTQOASA-N 372.509 3.643 0 1 FHAF biogenic COc1cc([C@@H]2CO[C@H](c3ccc(N(C)C)cc3)O2)cc(OC)c1OC 27518868 YBYBQZPEKBJDJJ-ICSRJNTNSA-N 359.422 3.565 0 1 FHAF CCC[C@@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 34778491 NCMFDVPAXKBZEI-KMXNWODASA-N 368.514 3.721 0 1 FHAF C[C@H](C(=O)O)[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 38298627 WQUYUZJNAIWNRJ-ONVGLGCPSA-N 364.526 3.698 0 1 FHAF COCOc1cc([C@@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)ccc1OC 45285414 MEFJUGOHRMJHIR-JKSUJKDBSA-N 374.433 3.975 0 1 FHAF O=C(NCc1cccc(F)c1)c1nc2ccc(-c3cn[nH]c3)cc2s1 49033361 AFGOIFQBIQFJEG-UHFFFAOYSA-N 352.394 3.756 0 1 FHAF O=C(N[C@@H](Cc1cccc(F)c1F)C(=O)O)c1ccc2ccccc2c1 49068793 HHCGNWGXRNKCRI-KRWDZBQOSA-N 355.340 3.544 0 1 FHAF Fc1cccc(OC(F)F)c1C[C@@H](c1ccccc1)N1CCNCC1 49112912 FNRNKAMBXVROAU-KRWDZBQOSA-N 350.384 3.616 0 1 FHAF in-vitro CC(C)[C@H](c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1 66078203 VTRPJUPDZLHKFJ-OAQYLSRUSA-N 351.498 3.896 0 1 FHAF Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(CO)cc3)cc2)c1 66104104 MGWUIPKBAUZSJP-UHFFFAOYSA-N 353.443 3.955 0 1 FHAF COc1ccc(-c2nc(CNCCc3cc(OC)ccc3OC)co2)cc1 72103721 GEOPXSZMSRMIGH-UHFFFAOYSA-N 368.433 3.700 0 1 FHAF COc1ccc(-c2nc(CNCc3cccc(OC)c3OC)co2)cc1 72182262 DMLDBROLWSNSDI-UHFFFAOYSA-N 354.406 3.657 0 1 FHAF CCn1nc2c(c1C)-c1nc(Nc3ccc(CN(C)C)cc3)ncc1CC2 169702258 ZLBOVKOQNTXBFF-UHFFFAOYSA-N 362.481 3.572 0 1 FHAF O=C(O[C@H]1C[C@H]2C[C@H]1C[C@@H]2n1cnc2c(Cl)ncnc21)c1ccccc1 195509754 LFNDXIWNKYRRHL-QPSCCSFWSA-N 368.824 3.676 0 1 FHAF OCC1CCN(c2nc(NCc3ccc(F)cc3)c3ccccc3n2)CC1 299823367 DNRFGHLIHJPTRM-UHFFFAOYSA-N 366.440 3.590 0 1 FHAF C=CN1CC[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1=O 586988177 MPTYXUAVZCVKKN-CQSZACIVSA-N 356.381 3.611 0 1 FHAF CC1=C(c2ccc3nc(CSCc4ccsc4)[nH]c3c2)NNC(=O)C1 587026858 ZDGKMRYFQSCGPR-UHFFFAOYSA-N 370.503 3.813 0 1 FHAF O=C(/C=C\c1nc2cc(C(F)(F)F)ncc2[nH]1)Nc1ccc(F)cc1 587166422 CMBDWFVFHKMGBT-WAYWQWQTSA-N 350.275 3.768 0 1 FHAF COc1ccc(-c2nc3c(C)nccc3[nH]2)c(I)c1 587180767 ZXQCRPIOEKEGJL-UHFFFAOYSA-N 365.174 3.547 0 1 FHAF O=C(O)Cc1c(-c2ccc3c(c2)CCC(=O)N3)nc2cccc3c2c1CC3 587211684 JDVNAKRAMUXPQR-UHFFFAOYSA-N 358.397 3.512 0 1 FHAF CCc1ccccc1NC(=O)c1nc2ncc(Br)c(C)c2[nH]1 587240712 IDRBXSNCHXYXCM-UHFFFAOYSA-N 359.227 3.844 0 1 FHAF CN(C)CCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331277 ARULAZUOPWZGLS-TZIWHRDSSA-N 357.425 3.991 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(=S)N(C)C)cc1)O2 587410860 QKARQUXJOWFMSK-KRWDZBQOSA-N 356.447 3.509 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC[C@@H]4CCCO4)cc1)[C@@H](C2)C3=O 587452578 FIJIVKMPFBZQIS-SGXKBVARSA-N 366.413 3.742 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccc(C)n1)CC2=O 587472180 YMWWGMAEUMQWKE-NRFANRHFSA-N 368.433 3.801 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]c(C)c(C(=O)O)c31)CC2=O 587483624 NEKDVJUCLHGFQD-OAQYLSRUSA-N 369.417 3.876 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C(=O)O)=COc2ccccc21 587485076 JECIEWRWTWOKQV-NRFANRHFSA-N 366.369 3.566 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccoc2CC[C@@H]1CC(=O)O 587485440 VULZHCQGQLWECL-GTJPDFRWSA-N 370.401 3.836 0 1 FHAF CC(C)COc1cccc(OCc2nc3cc4c(cc3[nH]2)OCCO4)c1 587566029 QDRSXLDSEBBSMA-UHFFFAOYSA-N 354.406 3.948 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nc[nH]c12 587592500 YYSHGTHGLCMBPV-LAUBAEHRSA-N 358.353 3.971 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)OCO2 587609115 MFAUSVLVKJHGSH-NQIIRXRSSA-N 362.337 3.824 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(N)c2)N1 587713047 BADVTJZEVUAHBY-PWJLMRLQSA-N 353.210 3.933 0 1 FHAF CC(=O)C[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587719670 LLZWQJQLRUYIDI-UOWDBTKRSA-N 350.178 3.562 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)[C@@H]3CCC[C@H]32)N1 587765425 CHEVRKWLFPOBMI-VBVJRUAFSA-N 367.306 3.822 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2C2CC2)N1 587767966 ZHELYEXUIFWXSN-XYZCENFISA-N 364.262 3.823 0 1 FHAF CCCCOC(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790808 GTWKMAKOERQMNU-MGPLVRAMSA-N 358.251 3.681 0 1 FHAF CC(C)COC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587796930 ULVLKXOCNNVDBM-PIGZYNQJSA-N 372.278 3.927 0 1 FHAF CC[C@H](C(=O)OC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811817 XJGJWPZOMNEXFL-ZXLZKYRFSA-N 358.251 3.537 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccc(F)cc1 587870434 IFVROIMJAPKEFE-UHFFFAOYSA-N 357.360 3.979 0 1 FHAF COC(=O)c1cc2[nH]c(C[C@H](C)c3cccc(OC)c3)nc2cc1OC 587929674 CNOROYCFDAXEJK-LBPRGKRZSA-N 354.406 3.713 0 1 FHAF O=C(NCCCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1 653850194 SBBYUKLIZAGFLI-UHFFFAOYSA-N 356.429 3.988 0 1 FHAF Cc1c(O)ccc2c1[C@@](c1ccnc(Cl)c1)(C(C)(C)C)N[C@H](C(=O)O)C2 963492605 SAUMNBJZCUHRNR-XOBRGWDASA-N 374.868 3.638 0 1 FHAF COc1cc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)ccc1O 1772598957 SYENGXOBRPEQKE-CSKARUKUSA-N 351.446 3.895 0 1 FHAF Fc1ccc([C@H]2CCCN2CCCn2nnc(-c3ccccc3)n2)cc1 1857542658 HCBIAUDKSCASKS-LJQANCHMSA-N 351.429 3.706 0 1 FHAF NC(=O)c1c(F)ccc2nc([C@@H]3CCCCN3Cc3ccccc3)[nH]c12 1857560962 KXMPHCXYNJBQIM-INIZCTEOSA-N 352.413 3.528 0 1 FHAF CCC(C)(C)c1ccc(OCCCN2CCN([C@H]3CCCO3)CC2)cc1 1857630750 LHYUQEXAICSENK-OAQYLSRUSA-N 360.542 3.897 0 1 FHAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccccc4C)C[C@@H]3F)[nH]c2c1 2356697202 AGECQXWKVNLSJZ-FXAWDEMLSA-N 353.441 3.919 0 1 FHAF CCOC(=O)c1cnc2ccc(OCC)cc2c1NCCCN(CC)CC 4562984 CZTIMRKDGSWHBW-UHFFFAOYSA-N 373.497 3.954 0 1 FHAF O=COC1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1 27206922 RYKWCUMBLICAQF-UHFFFAOYSA-N 352.221 3.592 0 1 FHAF O=C(Nc1ccccc1Br)c1nc2ccccc2n2cncc12 29133943 VDPZSOYLNDSZPP-UHFFFAOYSA-N 367.206 3.897 0 1 FHAF CNc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1 103254802 DSXPBPUQUOFUDK-UHFFFAOYSA-N 350.403 3.889 0 1 FHAF CCS(=O)(=O)c1nnc(-c2cc(-c3ccccc3)nc3ccccc23)o1 103293520 VVCGBPBXIKIBBU-UHFFFAOYSA-N 365.414 3.745 0 1 FHAF CC(C)n1cnc2c(Nc3ccc4ccccc4c3)nc(NCCO)nc21 26466399 LLZBSXJIQQZMJL-UHFFFAOYSA-N 362.437 3.708 0 1 FHAF CN1[C@@H]2CC[C@@H]1[C@@H](CO)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101066269 DHPAYGMVHAIWBY-NCYKPQTJSA-N 373.443 3.914 0 1 FHAF Cc1c2n(c3ccccc13)CC[C@@H]1[C@H]2NCCN1CCOc1ccccc1 27311772 SENLLPLKILVHFI-FGZHOGPDSA-N 361.489 3.747 0 1 FHAF C[C@@H]1[C@H](Cc2ccc3c(c2)OCO3)O[C@@H](Cc2ccc3c(c2)OCO3)[C@H]1C 2356603812 LAESRKLDVMTTQV-FEBSWUBLSA-N 368.429 3.969 0 1 FHAF CC(C)=CCCC(C)=CCOc1ccc(C=C2NC(=O)[C@@H](C)NC2=O)cc1 2356669304 WJYQOEOGXGQMEU-QGZVFWFLSA-N 368.477 3.734 0 1 FHAF CCCCC[C@](C)(O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O 2356696408 XSGQFHNPNWBVPT-FKPGQJDZSA-N 366.498 3.641 0 1 FHAF CC(C)(C)[S@](=O)N1Cc2cc(CO)cc(-c3ccccc3)c2[C@H]1CCO 61943276 PALLFENXEJWIEV-NIYFSFCBSA-N 373.518 3.547 0 3 FHAF OC1([C@H](CN2CCNCC2)c2cc(Cl)sc2Cl)CCCCC1 49090059 DMULXMAWQFEZSA-CYBMUJFWSA-N 363.354 3.739 0 1 FHAF O=C1N[C@H](c2ccc(O)cc2F)c2c[nH]c3nccc(c23)-c2ccccc21 45336312 CYAFXCZGJGHRJV-LJQANCHMSA-N 359.360 3.907 0 1 FHAF CC(C)CNc1ncnc2c1nc(-c1ccoc1)n2CC[C@H]1CCCN1C 82177949 BQOSJHTZPKFBMX-MRXNPFEDSA-N 368.485 3.639 0 1 FHAF CN(C)CCc1cccc2[nH]c(C(=O)NCCc3ccc(Cl)cc3)cc12 40565690 XICBCXSYEQBJLS-UHFFFAOYSA-N 369.896 3.898 0 1 FHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](O)(c1ccc(Cl)cc1)C(=O)N2 220542036 KITDTDHKUIUWEM-IBGZPJMESA-N 354.793 3.800 0 1 FHAF COc1ncc(-c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1 224747787 FXVIQTOBLKUEQP-UHFFFAOYSA-N 373.391 3.998 0 1 FHAF Cc1cccc2nc(C(=O)N3CC(c4nccnc4-c4ccccc4)C3)[nH]c12 145269154 PWMYXAQEGNEZAG-UHFFFAOYSA-N 369.428 3.568 0 1 FHAF O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1ccnc(-c2ccccc2)c1 95587615 HTVXLFUMONEBQF-UHFFFAOYSA-N 362.410 3.759 0 1 FHAF c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5nccs5)c4c3)nn2)cc1 147853032 DNLUZDHIJZJXGO-UHFFFAOYSA-N 358.430 3.993 0 1 FHAF COc1cc(/C=C/c2cccc(OC)c2OC(C)=O)ccc1OC(C)=O 238768887 IWTSXXNTGOOTOD-CSKARUKUSA-N 356.374 3.725 0 1 FHAF CC(C)N(C)Cc1sc(NC(=O)c2cccnc2)nc1-c1cccnc1 2382223854 HVWVFKKARXWBII-UHFFFAOYSA-N 367.478 3.693 0 1 FHAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12C1CCC1 299830878 YNXNMBVNUGTWOS-NRFANRHFSA-N 368.383 3.530 0 1 FHAF CCn1cc(Br)c(Cc2nc3ccc4ncccc4c3[nH]2)n1 587001538 ZSWRGILLRRLGBJ-UHFFFAOYSA-N 356.227 3.681 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@@H](C2)C3=O 587441482 GAENVODLYQWYRV-PYDTXJQDSA-N 373.449 3.601 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COCc3ccccc32)N1 587836721 XPNZJXXLHYGJCD-VOJFVSQTSA-N 362.242 3.896 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc4c(cc1OC)C[C@@H](C)O4)[C@@H](C2)C3=O 587456627 WFIZKUVIXZPNTQ-QAUQUCRQSA-N 352.386 3.516 0 1 FHAF CC[C@@]1(C2=NCCS2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587856564 NJZMVVFOANZACQ-BJOHPYRUSA-N 357.292 3.873 0 1 FHAF Fc1cnc(Br)c2[nH]c([C@@](F)(Cl)C(F)(F)F)nc12 587090234 NYFCGBFESQFAKN-ZETCQYMHSA-N 350.472 3.783 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn3ccnc3c2)N1 587774327 MLOBBYNTMCJBNN-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF CCCOc1ccc2c(c1)[C@]1(CCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454939 ZORABKGHIXMTSB-VGSWGCGISA-N 366.413 3.909 0 1 FHAF CCOc1ccncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585468 DYOAUOPDTGLXLS-NQIIRXRSSA-N 363.369 3.889 0 1 FHAF CN(C)C(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587949768 BCBHYLKAPWPHIO-UHFFFAOYSA-N 353.466 3.750 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(N)sc3c1CCC3)(C1CC1)O2 587415752 WPUUTORBMSGOFJ-FQEVSTJZSA-N 354.475 3.980 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nccn12 587586895 LLQGCGWELGLIEL-RXVVDRJESA-N 358.353 3.743 0 1 FHAF COC[C@@]1(CC(=O)C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798239 YUZOJZSUJYSROZ-PIGZYNQJSA-N 372.278 3.579 0 1 FHAF O[C@@H]1C[C@@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2ccccc21 586905059 XUMMCXCPCILUHZ-RKDXNWHRSA-N 354.719 3.546 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C2CC2)nc1 587590028 ZJTDXUARPQOFLJ-FXAWDEMLSA-N 360.369 3.763 0 1 FHAF COc1cccc2c([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)cccc12 963025333 NYIGHUWHYQXQDT-LFVRLGFBSA-N 358.441 3.991 0 1 FHAF CC(C)(C)OC(=O)CC[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 1772573966 ULXGLXJTBZYSRE-SFHVURJKSA-N 364.445 3.967 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 5071087 DLNNHWKVRRDIHN-PKOBYXMFSA-N 372.509 3.684 0 1 FHAF CN(C)Cc1ccc(COC(=O)[C@](O)(c2ccccc2)C2CCCCC2)o1 13602052 WVGQIZRRTTVNTR-QFIPXVFZSA-N 371.477 3.853 0 1 FHAF C[C@H](Nc1nc(CN2CCOCC2)nc2ccccc12)c1ccc(F)cc1 14884175 BNJRONPSBGRTBD-HNNXBMFYSA-N 366.440 3.774 0 1 FHAF C[C@@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 15048702 ZICGJBPBLVXOBM-TZEHSYAMSA-N 372.505 3.524 0 1 FHAF COc1cc2c(c3c1C[C@H](O)[C@@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2 15121062 LSOMOCKNPBFMAK-QFBILLFUSA-N 354.402 3.622 0 1 FHAF biogenic Cc1cc(-c2ncc(C(F)(F)F)[nH]2)ccc1OC[C@@H](O)CNC(C)(C)C 169317590 DADOFOZABFAGRA-ZDUSSCGKSA-N 371.403 3.532 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1OC 169723937 OAFROFJQCKZNMF-SJLPKXTDSA-N 373.449 3.658 0 1 FHAF CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 169729888 BBDCPBDRXQVELJ-MOPGFXCFSA-N 366.417 3.670 0 1 FHAF COc1ccc(/C=C/c2cc(OC)c(OC)cc2CCN(C)C)cc1OC 5432448 OBTBQXYTSLCBFW-VQHVLOKHSA-N 371.477 3.996 0 1 FHAF Cc1nc(-c2ccccc2)oc1COc1ccc(OCC(=O)O)c(F)c1 1857554591 QTIRSJUIMIHYLE-UHFFFAOYSA-N 357.337 3.832 0 1 FHAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@H]12 2356342159 KYVPWJSGFKNNLD-WAIVNJGQSA-N 370.511 3.786 0 1 FHAF CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccccc2)O3)c1 61896370 ODEQUFXUGAVGJC-NRFANRHFSA-N 372.424 3.571 0 3 FHAF CCCCCCN(CC)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 26847858 LUTUXFRCHQZLGI-IBGZPJMESA-N 370.559 3.774 0 1 FHAF Cc1ccccc1OC(=O)C[C@@H]1C=NN2c3cc(Cl)ccc3[N+]([O-])=N[C@H]12 27649764 HBHPMBBEMKFGNY-XIKOKIGWSA-N 370.796 4.000 0 1 FHAF CC(C)CC(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 115655499 YBBSVRKLHHFISQ-NRFANRHFSA-N 368.864 3.885 0 1 FHAF COc1ccc(Cn2cc(-c3ccc(OC)cc3)c3c(N)ncnc32)cc1 29333930 JSCSJQSIYLJFFW-UHFFFAOYSA-N 360.417 3.746 0 1 FHAF O=C(Nc1cc2n[nH]c(C3CC3)c2cn1)N[C@@H]1CCCOc2ccccc21 219759334 ISKZTXHOIMKRAU-OAHLLOKOSA-N 363.421 3.871 0 1 FHAF CC(=O)OCC1=C2C(=O)C[C@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]2CCC1 15158771 QDAYMNVOZSZZFY-URFUFWMJSA-N 372.417 3.523 0 1 FHAF biogenic O=C(O)[C@H]1C[C@](O)(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)O1 40977142 RSUQEXZTWDADTB-INMHGKMJSA-N 353.201 3.796 0 1 FHAF CC[C@@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 145957044 GYIFHGGYNPKLFC-GFCCVEGCSA-N 371.403 3.864 0 1 FHAF O=C1OCc2ccc(OCc3ccc(I)cc3)cc21 96927352 KNNKTWLGFNXIJA-UHFFFAOYSA-N 366.154 3.541 0 1 FHAF CNc1cccc(CCNc2cccc(CCCNc3ccccn3)n2)n1 653887625 YKJZOHSMFZLSOI-UHFFFAOYSA-N 362.481 3.613 0 1 FHAF Cc1ccc(C)c2[nH]c([C@H](CC(=O)O)NC(=O)OCc3ccccc3)nc12 587203686 RKXPQYCZQFNJFZ-HNNXBMFYSA-N 367.405 3.622 0 1 FHAF COc1cc2c3c(c1)O[C@@](C[C@@H]1CCOC1)(c1ccccc1)[C@@H](C2)C3=O 587449435 BMOAVOYPFAYLBA-SDYXESRWSA-N 350.414 3.765 0 1 FHAF FC1(F)Oc2cc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3cc2O1 587036012 YQKZVBJTGWSKDN-ZDUSSCGKSA-N 350.346 3.802 0 1 FHAF Cc1nccn1CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577396 NHYTXKSZTIREHF-GHTZIAJQSA-N 364.401 3.708 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(O)c(OC)c(OC)c1)CC2=O 587477840 JSHXQHVRXRRNHU-OAQYLSRUSA-N 372.417 3.948 0 1 FHAF C[C@@]1(c2cc(Cl)ncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553156 UCXOYBGAECKCDK-APWZRJJASA-N 368.776 3.713 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCN3CCC[C@@H]3C2)[C@@H]1c1ccc(F)cc1 587348980 STKHYTNCFQPKHA-CNDZOEFASA-N 367.420 3.887 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ncccc1Br)[C@@H](C2)C3=O 587413369 NDTJCMIEKHIDPW-GTNSWQLSSA-N 360.207 3.516 0 1 FHAF Cc1cc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2cc1F 587259752 LFMCMQINCZLLQG-INIZCTEOSA-N 370.428 3.717 0 1 FHAF O=C(O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587132480 BWARZCHFGLOVPV-UHFFFAOYSA-N 353.136 3.938 0 1 FHAF O=C1C[C@](c2ccccn2)([C@H]2CCCNC2)Oc2c1ccc1c2CCCC1 587523282 HVLODCRMELMPTO-GAJHUEQPSA-N 362.473 3.821 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc(O)n1 587860216 OIZKQXAHJAWIJY-UHFFFAOYSA-N 351.193 3.740 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(C)cc(C)cc1-n1cccn1)[C@@H](C2)C3=O 587433156 VEHJTDJZETXQDA-KSFYIVLOSA-N 360.413 3.986 0 1 FHAF CCOC(=O)c1cc2cc([C@H]3NCCc4c(C(=O)O)cccc43)ccc2o1 963131262 NAVMDXGAZSTICK-LJQANCHMSA-N 365.385 3.543 0 1 FHAF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc(C)n1 962707239 KNGIMWOOJVUVDK-HZPDHXFCSA-N 368.330 3.545 0 1 FHAF CCC(=O)C[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963175501 BRYXDYIHZHONGK-XHDPSFHLSA-N 363.763 3.542 0 1 FHAF CCCNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C 5150643 ALFGDWINKRADKB-UHFFFAOYSA-N 350.466 3.805 0 3 FHAF O=C(CN1CCCCC1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cccnc1 5594208 DMHVIMVONPDXEQ-QHCPKHFHSA-N 374.488 3.523 0 1 FHAF CCOC(=O)Cc1ccc2c(C)cc(Oc3ccc(C(=N)N)cc3)nc2c1 13535216 WBWIFXJZONDKLP-UHFFFAOYSA-N 363.417 3.725 0 1 FHAF COc1ccccc1NCC1CCN(C[C@@H]2COc3ccccc3O2)CC1 13799915 TYCFPCOJYDWOEP-GOSISDBHSA-N 368.477 3.659 0 1 FHAF CCCCCC(=O)OC[C@]1(CO)C/C(=C\C=C(C(C)C)C(C)C)C(=O)O1 13805650 LOWPNKDACIRXQY-AKCCUMBPSA-N 366.498 3.953 0 1 FHAF COc1cccc(OC)c1OC(=O)[C@@H](CCSC)N1CCCCCC1 13972585 IGIZVKMTTYXCKY-OAHLLOKOSA-N 367.511 3.607 0 1 FHAF CC(C)OP(=O)(OC(C)C)[C@@H]1[N@@]2[C@@](C)(O)c3ccccc3O[C@@]12C 1857587275 FATFTWFEBMBMSY-XSLAGTTESA-N 355.371 3.645 0 1 FHAF Cc1cc2ncccc2cc1[C@@H](C)n1cnc2ncc(-c3cnn(C)c3)nc21 1857593461 VGDRGIXONWUMIL-CQSZACIVSA-N 369.432 3.693 0 1 FHAF F[C@H]1CN(Cc2c[nH]c3ccccc23)C[C@H]1OCc1nc2ccccc2[nH]1 2356301704 CLLYXYTWQJMFSF-OXJNMPFZSA-N 364.424 3.783 0 1 FHAF CCCCN1C(=O)c2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O 29476917 VSWOSPUOUPKUOD-UHFFFAOYSA-N 374.220 3.633 0 1 FHAF O=C(O)c1cc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)ccc1O 59185440 XEYSKBLNBVVVMI-UHFFFAOYSA-N 359.337 3.554 0 1 FHAF O=C(C1CCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(F)c2)cc1 100099722 CCVWNPXJSCLYBI-AERCQKQUSA-N 350.437 3.559 0 1 FHAF Cc1nc([C@H](C)N(C)Cc2nc(-c3ccc4c(c3)OCO4)no2)c(C)s1 23128603 ZWWQATSYEAYHCL-JTQLQIEISA-N 372.450 3.732 0 3 FHAF c1cnc(NCCCNCC23CC(c4ccccc42)c2ccccc23)nc1 29475881 UKWCIYZLSOGDMO-UHFFFAOYSA-N 356.473 3.704 0 1 FHAF COc1cc(C[C@H]2NCCc3c2[nH]c2ccccc32)cc(OC)c1OC 26669526 NDGFACWSBYSFHD-QGZVFWFLSA-N 352.434 3.623 0 1 FHAF O=C(N1C[C@H]2C[C@@]2(c2c[nH]c3ncccc23)C1)C1(c2ccc(F)cc2)CC1 68197802 NVEWYSISVYQERO-IVZQSRNASA-N 361.420 3.534 0 1 FHAF COc1cc(CCc2ccc(OCC=C(C)C(=O)O)cc2)cc2c1OCO2 2356855757 RSZJEWXFCYTXJC-UHFFFAOYSA-N 370.401 3.619 0 1 FHAF COc1ccc([C@@H]2CC(=O)c3c(OC)cc(OC)c(C)c3O2)c(OC)c1 14761078 POAYRMWLLITKDN-KRWDZBQOSA-N 358.390 3.736 0 1 FHAF biogenic Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C2=NC(=O)CS2)cc1 73314466 YIDKQMAIVFRLMJ-KRWDZBQOSA-N 353.422 3.915 0 1 FHAF Cc1ccccc1/C=C/C(=O)Nc1ccc(Br)cc1C(N)=O 72170859 DDWABAOOFNDVAB-RMKNXTFCSA-N 359.223 3.508 0 1 FHAF COc1cc(C[C@H](C)[C@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)ccc1O 14646524 JFLQMRNVZXYTAK-DGCWBMGLSA-N 360.450 3.966 0 1 FHAF biogenic COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2ccc(F)c(Cl)c2)cc1 45301930 LDARYHYLQKXGTR-KPZWWZAWSA-N 365.832 3.520 0 1 FHAF CCCCCC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)CCCCC)[C@@H](C1)N2C 195138045 AZSYRDPIBWFYBO-XMTFNYHQSA-N 353.503 3.837 0 1 FHAF COc1ccccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccco1)CC2 143046546 YEIFZAXYPNMUOM-UHFFFAOYSA-N 373.416 3.988 0 1 FHAF COc1ccc2[nH]c(/C=C/c3ccc(F)cc3)cc(=NCCN(C)C)c2c1 2382221452 GYCIMMGGYWCLGK-RMKNXTFCSA-N 365.452 3.948 0 1 FHAF O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2[nH]1 299863582 LDIAEHPRJRMEHP-UHFFFAOYSA-N 373.460 3.866 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCC4)nc1)[C@@H](C2)C3=O 587444432 PEHPKTCWBNRBCV-HRAATJIYSA-N 350.418 3.569 0 1 FHAF Cc1ccn(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587766727 WVCOVULUQONKLI-BDJLRTHQSA-N 352.251 3.543 0 1 FHAF O[C@H](c1nc2c(F)cnc(Br)c2[nH]1)c1ccccc1Cl 587057514 AJYXRPUTFUWOCR-NSHDSACASA-N 356.582 3.595 0 1 FHAF CCN(C(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12)c1ccccc1C 587650990 XZWQXROEXKKQMJ-UHFFFAOYSA-N 370.474 3.855 0 1 FHAF C[C@H](Oc1cccc(Cl)c1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651080 BMKIECDUMWHOBK-JTQLQIEISA-N 363.200 3.811 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4ccnc4)c(F)c1)[C@@H](C2)C3=O 587426132 LNLZFOLCRJCBSG-XOBRGWDASA-N 350.349 3.509 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCO3 587235501 OOIAYHARQOJGCO-VXGBXAGGSA-N 359.426 3.843 0 1 FHAF CN(C)C(=O)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587143098 VZKPIPSWNCVBOZ-UHFFFAOYSA-N 362.202 3.833 0 1 FHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1 587241840 LBOWJAAPACVAQD-UHFFFAOYSA-N 367.409 3.567 0 1 FHAF COc1ccc([C@H]2C[C@]3(CCO2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587456183 SKJMRHUIHAJCEE-JUXOCIIHSA-N 366.413 3.742 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@H]2CC3=O)N1 587818970 TXFJLJQJXJVNPT-UQONFHDTSA-N 352.247 3.707 0 1 FHAF COc1ccc(-c2cccc(-c3nc4c(O)ncnc4[nH]3)c2C)c(OC)c1 587930670 UFAJEZPHBUNSPJ-UHFFFAOYSA-N 362.389 3.718 0 1 FHAF COC(=O)Nc1ccc(-c2nc3nc(C)c(Br)cc3[nH]2)cc1 587243761 QDISTFZUDMWLLC-UHFFFAOYSA-N 361.199 3.874 0 1 FHAF Cn1nc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495774 FOOANYMLEKWJRK-HNNXBMFYSA-N 361.239 3.768 0 1 FHAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CC3CC3)[nH]c2c1 587963369 NHKYLUAVHDMJPW-UHFFFAOYSA-N 361.854 3.970 0 1 FHAF C[C@]1(c2cccnc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568707 ISRPJUNVVYZCSX-OXJNMPFZSA-N 351.333 3.803 0 1 FHAF CCOC(=O)/C=C(\C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587798963 QLPJHPAQUBSVFU-NQIYVWNNSA-N 356.235 3.673 0 1 FHAF COCCOCCCc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587400969 SSBZKFLMMXXAMX-OAQYLSRUSA-N 369.461 3.879 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)nc2)N1 587708057 XPKMGMRTSKSPJH-WPPNPWJKSA-N 356.626 3.655 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C3CC3)nc2)N1 587775273 QIILXGCVSQACFR-ABKXIKBNSA-N 362.246 3.879 0 1 FHAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 586951040 RIYJYSXGFDQBDN-UHFFFAOYSA-N 368.821 3.568 0 1 FHAF O=C(O)CCOc1ccccc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963102936 SWIVMTRMDPMZOA-HRAATJIYSA-N 355.409 3.789 0 1 FHAF CCCCn1c([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)nc2ccccc21 963032850 TZEZMXXPNBJHJY-IVZQSRNASA-N 374.488 3.979 0 1 FHAF CN1CCC[C@@H]1CCNC(=O)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@@H]21 169342016 NZYFTXGDQKJVTP-RVKKMQEKSA-N 362.901 3.973 0 1 FHAF CC(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21 1857602783 YFOMBMYHORFLHB-UHFFFAOYSA-N 374.448 3.821 0 1 FHAF O=C(O)c1cccc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 1857745419 MEZYBYHJJLTAFZ-UHFFFAOYSA-N 353.399 3.853 0 1 FHAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N1CCOCC1 4216516 IDTKPVAHRLLHRN-VQTJNVASSA-N 374.481 3.568 0 1 FHAF CCOC(=O)c1ccccc1NC(=O)N1CCC(CN2CCCCC2)CC1 6877154 ZJKYDQGBWFXNOO-UHFFFAOYSA-N 373.497 3.593 0 1 FHAF COc1cc(OC)c2cc1CCC(=O)CCCC(=O)c1ccc(O)c-2c1 13311599 JUEBQBAOJUSWOQ-UHFFFAOYSA-N 354.402 3.945 0 1 FHAF biogenic O=C(c1ccccc1)N1CC[C@H]2CC(=O)N(C3CCCCC3)CC[C@H]2C1 15672997 JYYYOKNVANZOKQ-OALUTQOASA-N 354.494 3.720 0 1 FHAF biogenic COc1ccc(CCc2cc(O)cc(OC)c2C(=O)N2CCCCC2)cc1 26189712 YSOYDNJTLHPOKL-UHFFFAOYSA-N 369.461 3.821 0 1 FHAF CN(C)C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1COC(=O)N(C)C 26958039 SNFLUSWKZBSPJY-GEOZSUPMSA-N 364.489 3.770 0 1 FHAF O=c1c2c3c(sc2nc2sc(Cc4ccccc4)nn12)CCCC3 28814850 HXZAQNQTXMXHHK-UHFFFAOYSA-N 353.472 3.835 0 1 FHAF CC(C)c1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 28821259 LAYPCPWQLOVMFU-UHFFFAOYSA-N 368.521 3.714 0 1 FHAF COC(=O)C1=C(Cc2ccccc2)NC(=O)N[C@@H]1c1ccc2ccccc2c1 33914816 KORAVFADPQXWNG-OAQYLSRUSA-N 372.424 3.864 0 1 FHAF CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccccn4)no3)cc12 40763148 NATDSJPVLINEQG-UHFFFAOYSA-N 361.449 3.502 0 1 FHAF Cc1[nH]nc(Nc2ccnc3ccc(S(=O)(=O)C(C)(C)C)cc23)c1C 114190184 CYSCYSCNHFTWFQ-UHFFFAOYSA-N 358.467 3.891 0 1 FHAF C/C=C1/CN2CCc3c4n(c5ccccc35)[C@@H](C(=O)OC)[C@@]1(C)C[C@@]42C 238753631 RHSHJTJNMKANKY-JJKCBWHDSA-N 350.462 3.799 0 1 FHAF O=C1c2ccoc2CC[C@@H]1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586906704 GNIHMMOKDCERBY-ZCFIWIBFSA-N 370.718 3.558 0 1 FHAF CC(=O)c1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587094320 PQCUNLOIOXQKOJ-HNNXBMFYSA-N 369.368 3.523 0 1 FHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)cnc2[nH]1 587176026 ZLLSATMNLPAFCF-LBPRGKRZSA-N 374.217 3.583 0 1 FHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(F)cc3[nH]2)cc1 587245323 UEXJEXATSLCKES-UHFFFAOYSA-N 350.353 3.842 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC)c(Cl)cc3[nH]1)C2 587246178 DGWOUXBFRHNKMJ-IBGZPJMESA-N 357.841 3.576 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 587350462 HTSCFOXRYNUKFZ-XSXHMXBXSA-N 356.349 3.514 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc(C(C)(C)C)cc1)O2 587410269 ZERGOAVMPUBGLE-OAQYLSRUSA-N 353.418 3.820 0 1 FHAF Cc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587587301 MGGCBAGNCMKFFF-RXVVDRJESA-N 362.385 3.810 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2N)N1 587731950 MEFZZWBPBXCHSL-PWJLMRLQSA-N 353.210 3.933 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ncccc3C2)N1 587779558 UAEWKGHZPHYBMD-BBATYDOGSA-N 361.258 3.902 0 1 FHAF CCOC(=O)c1ccc2[nH]c(-c3ccc([C@H]4C[C@H]4C(=O)OC)cc3)nc2c1 587786291 PVYKMFBIVRXQSN-HZPDHXFCSA-N 364.401 3.683 0 1 FHAF Cc1[nH]nc2c1[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587798720 VNWXAOYUSTUCQN-XLFHBGCDSA-N 364.262 3.734 0 1 FHAF COc1ccc(C[C@@H](C)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1OC 587925280 DVCVHKFHFACEGE-CYBMUJFWSA-N 367.449 3.628 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@@H]1c1cc(OC)cc(OC)c1 653822828 MXXMWNPXBMHKEO-ULQDDVLXSA-N 360.431 3.541 0 1 FHAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@]21CCN[C@@H]2CCCC[C@H]21 962710000 OZWQNKNSTHFHML-SKRQURTPSA-N 360.542 3.937 0 1 FHAF CC(=O)c1cc(N)cc([C@@]2(C)c3cccc(Br)c3CCN2C)c1 963278427 BCLKSFSTHBZAFP-IBGZPJMESA-N 373.294 3.985 0 1 FHAF Cc1sc(N2CCCCC2=O)cc1C(=O)Nc1nc2c(s1)CCC2 1857764617 AGNYTXBOCHMBCJ-UHFFFAOYSA-N 361.492 3.771 0 1 FHAF COc1ccc([C@@H]2C[C@H](c3ccc(OC)c(OC)c3)[C@H](OC)CO2)cc1O 2356566172 WTCGOQUMVRSMDU-MFMILTCTSA-N 374.433 3.678 0 1 FHAF COc1ccc(C[C@@H](N)c2csc(NC(=O)c3ccc(F)cc3)n2)cc1 61896958 GRXVBCINUVIVTM-MRXNPFEDSA-N 371.437 3.786 0 3 FHAF CC[C@H](C)N(c1nc(C)nc2c1nnn2Cc1ccccc1)[C@H](C)CC 201488990 JHKOFAUQEHPVRC-GASCZTMLSA-N 352.486 3.981 0 3 FHAF O=C(c1cc2cc(O)cc(O)c2[nH]1)N1CCC(Cc2ccccc2)CC1 13554241 MTTXNYIRSMETRQ-UHFFFAOYSA-N 350.418 3.674 0 1 FHAF Cc1ccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1 13677018 LOYKPVVNYDTAPS-UHFFFAOYSA-N 351.402 3.517 0 1 FHAF C[C@]1(C=O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@](O)(CCl)[C@@](O)(CC[C@@H]21)C3 14923588 DTMIPKXLCMUODX-UVIHBWEYSA-N 354.918 3.683 0 1 FHAF biogenic COc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1COc2ccc(C)cc2C1 40420781 OMIVWOJQGZNENJ-INIZCTEOSA-N 363.417 3.584 0 1 FHAF O=S(=O)(c1ccc2nc(O)c(-c3ccccc3)c(O)c2c1)C(F)(F)F 40565367 FCAGMAAMTPDOJY-UHFFFAOYSA-N 369.320 3.607 0 1 FHAF Nc1cccc(Nc2ncnc3c2ncn3CCCOc2ccccc2)c1 40873400 UAEXDOUDZOFAIB-UHFFFAOYSA-N 360.421 3.621 0 1 FHAF Cc1cc(=O)oc2cc(N3C(=O)CS[C@H]3c3ccc(O)cc3)ccc12 49723169 YUKHOUNRELQCRN-IBGZPJMESA-N 353.399 3.586 0 1 FHAF COc1ccc(S(=O)(=O)Nc2ccc3[nH]c4ccncc4c3c2)cc1 64560244 CGBQEZLIPYHOEO-UHFFFAOYSA-N 353.403 3.526 0 1 FHAF O=C1CCC[C@H]2c3c(c4ccccc4n3Cc3ccccc3)C[C@H](CO)N12 73274924 YIVJDLJMOGPAHD-UTKZUKDTSA-N 360.457 3.660 0 1 FHAF CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc2oc(C)cc12 84669453 JHRWKNIQAPFKKC-LJQANCHMSA-N 363.413 3.871 0 1 FHAF NC(=O)c1cc[n+](CCCCCCCCCN2C=CC(=CN=O)C=C2)cc1 137755026 YAYCAZYFNCQZDY-UHFFFAOYSA-O 369.489 3.797 0 1 FHAF Cc1cn(CCCn2c(=S)[nH]c3sc4c(c3c2=O)CCCCC4)cn1 138362749 JRSRMBMCNVIWDS-UHFFFAOYSA-N 374.535 3.985 0 1 FHAF Cc1nnc2n1-c1ccc(-c3cncc([C@@](C)(O)C(F)(F)F)c3)cc1CC2 143866076 YTLROJLEAFXNIK-GOSISDBHSA-N 374.366 3.506 0 1 FHAF NC(=O)[C@H](N)Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12 146727458 LWHOVZKFRJORMC-OAQYLSRUSA-N 371.440 3.778 0 1 FHAF C[C@H]1CN(c2ccccc2Sc2ccc(F)cc2)[C@H](C)CN1CC(=O)O 261137689 MKKFPVZTAAVTDJ-LSDHHAIUSA-N 374.481 3.961 0 1 FHAF COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1C 299833637 HXLKCKQQCOPUIT-UHFFFAOYSA-N 374.488 3.724 0 1 FHAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@H](O)[C@H]1CCCCCCC(=O)O 504702762 WTCAXDJXNVRHRC-BZSNNMDCSA-N 354.487 3.907 0 1 FHAF biogenic O=C(O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017380 KNZMWTUOXRJZSK-UHFFFAOYSA-N 363.398 3.987 0 1 FHAF COC(=O)c1cccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c12 587020792 FLBZWNUWWKPMSB-UHFFFAOYSA-N 350.403 3.553 0 1 FHAF N[C@@H](Cc1nc2ccc(Br)c(O)c2[nH]1)c1ccccc1Cl 587058412 VFFCTFJSUIEDLQ-NSHDSACASA-N 366.646 3.927 0 1 FHAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1 587083948 DUVNZQYKOPAAST-UHFFFAOYSA-N 356.234 3.725 0 1 FHAF O=S(=O)(Nc1ccsc1-c1nc2cccnc2[nH]1)c1ccc(F)cc1 587170590 RBFZSPACCZTFFJ-UHFFFAOYSA-N 374.422 3.626 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccco1)CC2=O 587479841 JQSPHIUEDRFUJP-FQEVSTJZSA-N 358.390 3.752 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(CC(F)F)n2)N1 587720319 SJQXGGNOFNQFPL-GLEZIHRCSA-N 374.204 3.673 0 1 FHAF CC(C)n1ccnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587754310 LJZKYAQYZHAKBV-ZUZCIYMTSA-N 352.251 3.989 0 1 FHAF Cc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587775212 PRFYBOQFJFOQRM-PWJLMRLQSA-N 353.235 3.991 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3c(n2)SCC3)N1 587857548 RPGFLHIYQZAZPI-RMLUDKJBSA-N 368.275 3.514 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)NCc1ccco1 587863106 QSTOOYMWKADMBT-UHFFFAOYSA-N 365.311 3.928 0 1 FHAF C[C@H](Oc1ccc2c(c1)OCO2)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873163 CYQWIVMFSZQWOH-JTQLQIEISA-N 368.320 3.631 0 1 FHAF CC(=O)c1ccc(OCC2CC2)c(NC(=O)c2cccc(C(=O)O)c2)c1 653699448 OVZXNWROZWQJES-UHFFFAOYSA-N 353.374 3.629 0 1 FHAF Cc1ccc2c(c1)-c1ccccc1[C@H]2NC(=O)NC(=O)c1c(O)cccc1O 653808110 LZEKNPLKCBNBTK-HXUWFJFHSA-N 374.396 3.616 0 1 FHAF Cc1ccc([C@@]2(c3ccco3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1C 962901909 STUJJCZWUMSWBR-SIKLNZKXSA-N 365.404 3.926 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ncc(Br)cc2N)N1 962945696 JSOOJJIBXRVZAL-ZMZPIMSZSA-N 371.282 3.921 0 1 FHAF C[C@@]1(Cc2ccccc2F)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962961424 GQUKBWWPHMGDBG-KDOFPFPSSA-N 369.770 3.814 0 1 FHAF Cn1nc(C(F)(F)F)c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1O 963108212 KXWQJSLMJHLVMN-LLVKDONJSA-N 366.170 3.686 0 1 FHAF COc1cc(Cl)ncc1NS(=O)(=O)c1cc(Cl)sc1Cl 1260467013 BWAFJZCMGWOTBY-UHFFFAOYSA-N 373.670 3.913 0 1 FHAF NC(=O)N1CCCc2cc(-c3cncc(NCc4ccccc4)c3)cnc21 1772578295 VGEZWMWNOPCGID-UHFFFAOYSA-N 359.433 3.587 0 1 FHAF Cc1cc(=O)oc2c3c(ccc12)O[C@@H](c1cc(F)c(F)cc1F)[C@@H](N)C3 1772637957 MXZDPLKXVPVWMV-KXBFYZLASA-N 361.319 3.522 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)c(F)c3)ncc12 1772649260 HVTKIDSCSMCLKY-SECBINFHSA-N 360.368 3.551 0 1 FHAF COc1cc2c(c3c1C(=O)[C@H](O)[C@H](c1ccccc1)O3)C=CC(C)(C)O2 2356532644 RUDILYVZCUZXBH-OALUTQOASA-N 352.386 3.557 0 1 FHAF CCCN1CCC(=O)N([C@H](COc2ccccc2)c2ccccc2)CC1 12474288 VTPSDFWKBOINCN-OAQYLSRUSA-N 352.478 3.751 0 3 FHAF CN1O[C@](C)(CC(=O)Nc2ccccc2F)N=C1c1cccc(Cl)c1 74374640 WVBZHIAUMHNNAI-GOSISDBHSA-N 361.804 3.848 0 3 FHAF COC(=O)C1=C(C)N(CC(C)C)C(=S)N[C@H]1c1ccc(Cl)cc1 95603011 JFEBFJVFXYJXSH-HNNXBMFYSA-N 352.887 3.674 0 3 FHAF O=S(=O)(c1ccccc1)N1CCCc2nc(-c3ccccc3)ccc21 199725597 NOKSYVGIAVGGPX-UHFFFAOYSA-N 350.443 3.890 0 3 FHAF O=C(NCc1cccs1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205711053 MUJSDNSUUZHRRF-YZVOILCLSA-N 362.495 3.688 0 3 FHAF COc1ccc(-c2noc(C)c2C(=O)NCCc2ccc(F)cc2)cc1 773967 AFZOKEJLJMXLNC-UHFFFAOYSA-N 354.381 3.770 0 1 FHAF CCCCn1c(=O)cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 1554974 SHZKSHSMYOTECL-SJPCQFCGSA-N 368.477 3.584 0 1 FHAF C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3c21 28902146 VLFWUBSOPITFCC-JTQLQIEISA-N 353.809 3.921 0 1 FHAF O=C(O)c1cc2[nH]c(-c3cccc(F)c3)c(C3CCCCC3)c(=O)n2n1 34820399 RCSPWOLZGRSRKM-UHFFFAOYSA-N 355.369 3.575 0 1 FHAF O=C(O)CCC1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccco1 64373472 GTQIPUVMKRSPEE-MRXNPFEDSA-N 362.838 3.728 0 1 FHAF Cc1ncc([C@@H](O)c2c3cc(Cl)cc(C)c3nc3[nH]nc(C)c23)cn1 73197632 BSQBUOMKYFGDQP-QGZVFWFLSA-N 353.813 3.561 0 1 FHAF CC1=Nc2ncnn2[C@H](c2cccc(O)c2)/C1=C(/O)OCc1ccccc1 103540967 OCHZADUZDUJZPC-LYHOESIGSA-N 362.389 3.666 0 1 FHAF Cc1nc(-c2cccnc2C)cc(N2CC(c3nc4ccccc4n3C)C2)n1 143124469 IDWKCHLLTPQNRN-UHFFFAOYSA-N 370.460 3.646 0 1 FHAF CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 143339606 GYIFHGGYNPKLFC-LBPRGKRZSA-N 371.403 3.864 0 1 FHAF C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(C(=O)O)cc3)cc2)C1=O 169720245 IEJPCOBEYSXVIR-FKIZINRSSA-N 354.427 3.832 0 1 FHAF O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1 473165372 BKMHVHBJZZRLIE-UHFFFAOYSA-N 373.380 3.997 0 1 FHAF Cc1ccc(-n2cnnc2SCc2nc3cccnc3[nH]2)cc1Cl 586968942 ZJEPYGVWXPNHMK-UHFFFAOYSA-N 356.842 3.793 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(O)cc3[nH]2)cc1 587041058 UWAAKHAQPOUNMR-QGZVFWFLSA-N 369.446 3.555 0 1 FHAF Cc1csc([C@@](O)(Cc2nc3cc(F)cc(F)c3[nH]2)C(F)(F)F)n1 587093538 GDCKJXRXNPHUKV-ZDUSSCGKSA-N 363.311 3.599 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cccc(O)c4[nH]3)c2)c1 587234324 FATXLMNUVWJJTI-UHFFFAOYSA-N 357.413 3.886 0 1 FHAF O=C(c1c(CO)oc2cc(Br)cnc12)C1(c2ccccc2)CC1 587272725 AYDJFXKPIKXEHH-UHFFFAOYSA-N 372.218 3.997 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1OC(F)F)[C@@H](C2)C3=O 587423818 VLKWCDXONCHBCU-DYZYQPBXSA-N 350.292 3.924 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccccn4)n1)[C@@H](C2)C3=O 587450881 LNOPYHFTVLTNMH-KPZWWZAWSA-N 350.399 3.702 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cc(F)ccc1C)CC2=O 587466357 KNXPCUFHWOROIT-FQEVSTJZSA-N 358.365 3.738 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc2ccccn12 587585490 DJRCQFKJSXPOAS-FXAWDEMLSA-N 358.353 3.743 0 1 FHAF Cc1c(Br)ccc2nc(CC(=O)OCc3ccccc3)[nH]c12 587781383 IWKINSJFQDJHQH-UHFFFAOYSA-N 359.223 3.920 0 1 FHAF CC(=O)OC1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587814018 XNEQHKMLQONYCH-ITNLDZRZSA-N 370.262 3.823 0 1 FHAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 587934227 FMSQIZPENZTQNA-UHFFFAOYSA-N 352.365 3.981 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1nc2cc(C)c(C)cc2[nH]1 963614150 WGIQBOJMJIZKNJ-ZUOKHONESA-N 351.450 3.821 0 1 FHAF CC(C)Cc1nn(-c2nccs2)cc1C(=O)NCc1ccccc1F 1772647881 ZTIRPZZUTIPSPD-UHFFFAOYSA-N 358.442 3.596 0 1 FHAF CCCCC=CC=CCCCC=CC=C[C@@H]1C[C@@H](O)[C@H](N)CN1C(C)=O 2356409470 KCFQJQRGGYHYSG-YPAWHYETSA-N 360.542 3.881 0 1 FHAF CC(=CCCC(C)=CCC[C@]1(C(=O)O)CC(=O)c2cc(O)ccc2O1)CO 2356746118 VLXRBLIWOFMVDW-OAQYLSRUSA-N 374.433 3.626 0 1 FHAF COc1ccc(C(F)(F)F)cc1NC(=O)C(=CN(C)C)C(F)(F)F 2356847183 OUMZDDHSMMBQQE-UHFFFAOYSA-N 356.266 3.660 0 1 FHAF O=S(=O)(NCc1ccccc1)c1ccccc1NCCc1ccccc1 61944860 PRBFCVXKACQMGA-UHFFFAOYSA-N 366.486 3.820 0 3 FHAF 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)CC[C@]12O 3875962 XZTUSOXSLKTKJQ-HQFXTQQOSA-N 374.521 3.604 0 1 FHAF O=C(Nc1cccnc1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 4192720 KWZJSEIGYQNKLC-LEWJYISDSA-N 369.424 3.557 0 1 FHAF Oc1ccc2c(c1)O[C@@H](CNCCCOc1ccc3c(c1)NCCC3)CC2 12356233 JOGUPOAVWOLLLX-HXUWFJFHSA-N 368.477 3.503 0 1 FHAF CC(=O)c1c(C)c2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O 13641640 WNTYNFHZYYRFOF-UHFFFAOYSA-N 363.421 3.556 0 1 FHAF CN(C(=O)c1cc2cc(O)ccc2n1C)c1cccc(Br)c1 13652179 XNTIODCXXSIOED-UHFFFAOYSA-N 359.223 3.923 0 1 FHAF Cc1ccc(OC2=C(c3ccc(S(C)(=O)=O)cc3)C(C)(C)OC2=O)cc1 26851842 ILKNRFAZXMWVEA-UHFFFAOYSA-N 372.442 3.524 0 1 FHAF CCC[C@@H](c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 28885792 HQFIBOUMMLVIND-NRFANRHFSA-N 363.505 3.956 0 1 FHAF Cn1c(=N)n(CCCC(=O)c2ccc(Br)cc2)c2ccccc21 29128322 KUPOTQXKYNBGIL-UHFFFAOYSA-N 372.266 3.885 0 1 FHAF Fc1ccc(-c2n[nH]c3ccc(-c4nc(CN5CCCC5)n[nH]4)cc23)cc1 34095590 GDRSAYYDIMBYNZ-UHFFFAOYSA-N 362.412 3.750 0 1 FHAF CN(C(=O)c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F 40394602 BWLHARFSGUIYFJ-LJQANCHMSA-N 354.425 3.698 0 1 FHAF O=C(C1CC1)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccccc1 49071220 OARCFEGWQSUJNQ-HSZRJFAPSA-N 363.457 3.744 0 1 FHAF COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1 66122813 UWOFKXQBCKSFJQ-UHFFFAOYSA-N 362.385 3.625 0 1 FHAF Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)c1 96175141 GKAVQMFVPQKDDL-KBXCAEBGSA-N 366.486 3.669 0 1 FHAF Cn1cc(-c2ccc(N3CCC(n4ccc5ccccc54)CC3)nn2)cn1 103242970 MQDMVBGUNSHZPN-UHFFFAOYSA-N 358.449 3.673 0 1 FHAF CC1(C)C=Cc2c(O)cc3oc(-c4ccc(O)cc4O)cc(=O)c3c2O1 238788252 XZYMVZSVVMLVOJ-UHFFFAOYSA-N 352.342 3.761 0 1 FHAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)CCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 261115692 IRVGZJHWMUWHKA-MUGJNUQGSA-N 370.493 3.699 0 1 FHAF CC[C@H](C)CN1C[C@H]2[C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 299813434 LZBCXHGIIMSXTK-UQCMEYCASA-N 355.309 3.947 0 1 FHAF O=C(NCc1cc(-c2ccco2)on1)NCC12CC3CC(CC(C3)C1)C2 473155282 RFNSZVQQDQMILH-UHFFFAOYSA-N 355.438 3.950 0 1 FHAF Cc1ccc(NC(=O)CSCCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 586971419 XCTHYVKMTVRWID-UHFFFAOYSA-N 365.462 3.662 0 1 FHAF OCCc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029970 WFROFSQYCIUGOP-UHFFFAOYSA-N 351.431 3.800 0 1 FHAF OCCc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116065 MBPHOCKZAABILS-UHFFFAOYSA-N 358.323 3.727 0 1 FHAF Fc1ccc2nc(-c3cncc(I)c3)[nH]c2c1F 587184237 GIJKDBJWHSTQGS-UHFFFAOYSA-N 357.101 3.508 0 1 FHAF C[C@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)N(C)C 587189525 COHSPHLFWOYFLP-SSDOTTSWSA-N 366.181 3.717 0 1 FHAF Cc1ccnn1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342489 NVCIYDLOMLTADZ-FPOVZHCZSA-N 366.392 3.854 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)ccc1-n1ccnc1)O2 587384229 BZWUUIZIHLOZBL-FQEVSTJZSA-N 351.381 3.783 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC3(CN(C(=O)OC(C)(C)C)C3)C1)O2 587400950 RSPJBNCCCPCELM-OAQYLSRUSA-N 372.465 3.702 0 1 FHAF COc1cccc(C[C@@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526062 RKNSUBJUVDZORB-QFIPXVFZSA-N 366.413 3.605 0 1 FHAF COc1cc(O)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602793 YWZRBTJRIPLBRI-RXVVDRJESA-N 364.353 3.809 0 1 FHAF Cc1[nH]nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587692588 BJVATVMOKGBMNX-IYQDAUBNSA-N 358.642 3.897 0 1 FHAF COC1=C(C)OC=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587829912 CYEYODFAEAYNSV-FVMDXXJSSA-N 354.219 3.740 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CSCCSC2)N1 587855617 JXEJETVAQTYOEU-SECBINFHSA-N 362.333 3.798 0 1 FHAF O=C1C=CC(=O)N1c1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1 963111747 RXEZQVOTPTZYGL-LJQANCHMSA-N 373.239 3.658 0 1 FHAF CC(C)(C)c1ccc(OCCCCN2CCN([C@H]3CCCO3)CC2)cc1 1857745391 DMRBAHITZCRGNB-OAQYLSRUSA-N 360.542 3.897 0 1 FHAF COc1ccc(CC[C@H](O)C[C@@H](O)c2cc(-c3ccccc3)on2)cc1 1857752846 NLLRMHDZXWCSRA-FXAWDEMLSA-N 353.418 3.767 0 1 FHAF COC(=O)[C@@]12CCC[C@@]3(C=N[C@@H]1OC)[C@@H]1Cc4occc4[C@H](C)[C@H]1CC[C@H]32 2356488961 FGFRIRFLGOVJNW-XCLAOECGSA-N 371.477 3.968 0 1 FHAF CO[C@]12CCCC[C@@H]1[C@@H]1O[C@H](C)[C@H](C)c3c(C)c(O)c(C(=O)O)c(c31)O2 2356552095 CTZMTGUUUISDOM-XVOHLEHFSA-N 362.422 3.887 0 1 FHAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@@H](c1ccccc1)n1cccc1 2356726288 SZRIPZAVWBTLLS-FDFHNCONSA-N 365.521 3.800 0 1 FHAF CC1=C2C[C@@]3(C[N@]4C[C@H]4CNCCCCO)CC[C@H](C)[C@@]2(CC1)C3(C)C 2356752086 CJCOYVGFGUSBGU-NGAPOUCOSA-N 360.586 3.976 0 1 FHAF CSc1ccc(-c2cc(-c3nc(O)c4ccccc4n3)nc(=N)[nH]2)cc1 2382219455 VITFLZIOZIGFAZ-UHFFFAOYSA-N 361.430 3.594 0 1 FHAF O=C(NCc1ccccc1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205706296 NQOIEZLHYRWVOS-WAOWUJCRSA-N 356.466 3.627 0 3 FHAF Cc1csc(Cc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)n1 7259365 CTWVVXJJLAYWRZ-UHFFFAOYSA-N 365.505 3.537 0 1 FHAF COc1cc2c(cc1O)C[C@H]1c3cc(OC)c(OC)cc3CCN1[C@@H]2C 13408945 HEZATOQIKMHZNZ-PXAZEXFGSA-N 355.434 3.635 0 1 FHAF biogenic O=[S@@](Cc1cc(OCc2ccccc2)ccn1)c1nc2cscc2[nH]1 13448736 WLDJQEAJNCYNQU-RUZDIDTESA-N 369.471 3.906 0 1 FHAF CCOc1ccc2nc(SCCNC(=O)N(O)C(C)C)sc2c1 13650915 URUCGGAWDMUALV-UHFFFAOYSA-N 355.485 3.596 0 1 FHAF Cc1cccc(NC(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)o2)c1 28972655 IAVGDMHOLZCTBP-UHFFFAOYSA-N 355.415 3.911 0 1 FHAF COCCn1ncc2c1[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2 40548289 INEQZVGATSEVNJ-AQCRLBJHSA-N 352.478 3.805 0 1 FHAF CC(C)CN(C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1 82132331 NBUPNBZLGAUWOS-UHFFFAOYSA-N 354.498 3.964 0 1 FHAF CN1C(=N)N[C@@](c2cccc(-c3cccc(Cl)c3)c2)(C2(C)CC2)C1=O 84605133 JIJODFBAJRFDGM-HXUWFJFHSA-N 353.853 3.999 0 1 FHAF CCC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4cccc(F)c4)cc3[C@@H]21 95567828 SFMKYQRQRSGMSM-NQSCKRDGSA-N 368.452 3.603 0 1 FHAF COc1cccc2cc(-c3ccc(C(=O)c4ccccc4O)cn3)c(=O)oc12 98085365 IENZPKQHRLWEGJ-UHFFFAOYSA-N 373.364 3.800 0 1 FHAF Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cccnc5)C[C@@H]3N4)cc2)cc1 100106887 VPRJIFWNDSSJGX-BKFWDETESA-N 355.485 3.997 0 1 FHAF COC(=O)C[C@H](C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](O)[C@]2(C)O 144503183 SIPUAJNOWFIDSZ-BQBAGJLHSA-N 354.531 3.930 0 1 FHAF CC(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169370105 VOEVWWDYQIDNFO-KACVORMTSA-N 374.569 3.991 0 1 FHAF NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1 224824359 AXPULEZWSXHWRE-UHFFFAOYSA-N 367.405 3.683 0 1 FHAF N=c1nc(O)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2[nH]1 587049483 AJUJSXOIWRAHCB-UHFFFAOYSA-N 362.176 3.705 0 1 FHAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587113487 KWHXNTPGDKGQQY-NSHDSACASA-N 372.354 3.904 0 1 FHAF O=C(c1nc2cc3c(cc2[nH]1)OCO3)c1c(Cl)ccc(F)c1Cl 587132870 JNFKGIGASMNZGV-UHFFFAOYSA-N 353.136 3.969 0 1 FHAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ncc[nH]c-4n3)c(F)c2)c1 587138680 PVJWGZMUWXNYPV-UHFFFAOYSA-N 352.300 3.615 0 1 FHAF COc1cc(-c2nc3cnncc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143498 GCVNNJAWDGZMFC-UHFFFAOYSA-N 364.336 3.533 0 1 FHAF CC1=C(c2ccc3nc([C@@H](C)Oc4ccc(F)cc4)[nH]c3c2)NNC(=O)C1 587169582 ZTJXNBIBSBSRDK-GFCCVEGCSA-N 366.396 3.598 0 1 FHAF COc1cccc(-c2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)on2)c1 587396088 WTEHIUIJCVWLFZ-SFHVURJKSA-N 350.374 3.947 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccc(F)cc4)on1)[C@@H](C2)C3=O 587428815 QELAVOXGFQBEDH-XOBRGWDASA-N 351.333 3.978 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4C)nc1)[C@@H](C2)C3=O 587435233 CNZFMXGUQLYZQJ-UWJYYQICSA-N 358.397 3.949 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCC)c2ccccc21 587482665 CISICPCECSXFMO-QFIPXVFZSA-N 365.429 3.962 0 1 FHAF CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587580922 JXAYIZZNPZVEHM-XLIONFOSSA-N 350.374 3.702 0 1 FHAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587585830 GSDGYWVQYAGBPN-NQIIRXRSSA-N 363.369 3.673 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 587603250 LHIQDJLFHLBIRD-MUJQGGGASA-N 372.420 3.870 0 1 FHAF COc1c(F)cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C)cc1F 587649323 HNOKGMKFPRTTOV-UHFFFAOYSA-N 351.374 3.834 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2F)N1 587738885 ROKZQJFVNMBCIJ-JDNHERCYSA-N 353.210 3.920 0 1 FHAF CCOC(=O)C(C)(C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799236 RIMQQBUTWZXWKA-DYZYQPBXSA-N 372.278 3.927 0 1 FHAF CCOC(=O)/C=C(\C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800715 YLGJPXJDQFVNOC-BENAAIHCSA-N 370.262 3.847 0 1 FHAF COC(=O)[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587810555 URBRAHWNAUDCJU-ILMHXZGMSA-N 370.262 3.681 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COCc3ccccc32)N1 587837154 ZUXFTTQMHOJXIJ-VOJFVSQTSA-N 362.242 3.896 0 1 FHAF CCC/N=c1\c(NC(=O)c2ccccc2OC)c(O)oc2ccccc12 617996278 KZPICPQSZNAUOK-FXBPSFAMSA-N 352.390 3.710 0 1 FHAF CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(OCC(C)C)c(OC)c1 621473842 DKOUZGIQVJYQNW-SCDSTIRESA-N 364.467 3.536 0 1 FHAF N=C(N)Nc1ccc(CNc2c(Cc3ccccc3)nc3ccccn23)cc1 653796377 CMCROOXECLBYDJ-UHFFFAOYSA-N 370.460 3.843 0 1 FHAF CCC(=O)C[C@@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963175492 BRYXDYIHZHONGK-IAQYHMDHSA-N 363.763 3.542 0 1 FHAF CC[C@@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963636070 ONYWHWFEDSSRCN-ZSEKCTLFSA-N 355.434 3.620 0 1 FHAF c1nc2ccc(-n3cnc4cnc5cnc(-c6cnsc6)cc5c43)cc2[nH]1 1772612421 ATRPKCGPUYVUPB-UHFFFAOYSA-N 369.413 3.969 0 1 FHAF O=C(CN1CCCC1)Nc1ccc(Oc2cc(=O)oc3ccccc23)cc1 1857575563 UZYYYDLIQCMFOQ-UHFFFAOYSA-N 364.401 3.620 0 1 FHAF Cc1cc(C)cc(NC(=O)N2[C@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)c1 4888206 JODOZENFAQJYNC-YQQQUEKLSA-N 355.482 3.747 0 1 FHAF CC(C)[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC(C)(C)C 4902098 IQLLVVRAXNQGAB-VIFPVBQESA-N 353.271 3.546 0 3 FHAF C[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 26265045 JXZCLKYXDXXIKF-CQSZACIVSA-N 354.406 3.606 0 1 FHAF CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCC1CCCCC1 27560028 YXBURMMYJOWGPB-QGZVFWFLSA-N 365.514 3.886 0 1 FHAF CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cn4)c3)cnc2n1 28571676 IHDXFSAXAJRBOG-UHFFFAOYSA-N 366.371 3.964 0 1 FHAF O=C1NC(C2CC2)=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(O)c2)N1 73310929 AFEFJZMJUZVMEC-LJQANCHMSA-N 370.449 3.534 0 1 FHAF CC(=O)[C@@H](C)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101542 CKIZKPAUEJIIQZ-VFNWGFHPSA-N 371.912 3.856 0 1 FHAF CCC(=O)OCc1c2c(c(OC(=O)CC)c3occ(C)c13)C[C@@H](O)C[C@@H]2C 13300458 XVMJURDWENMOTK-AAEUAGOBSA-N 374.433 3.920 0 1 FHAF biogenic O=C(O)CCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144774919 GDXNQXWAWPRUDW-QGZVFWFLSA-N 352.308 3.709 0 1 FHAF COc1cccc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)c1 142054160 PIPCTIIDGGNNMV-CZUORRHYSA-N 356.426 3.640 0 1 FHAF O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2ccccc2Cl)c1 621430519 YBWBCNJIRVCFEG-MRXNPFEDSA-N 355.821 3.933 0 1 FHAF CC1(C)CCc2c(c(O)cc3c2[C@@H]2Oc4cc5c(cc4[C@@H]2CO3)OCO5)O1 59182643 XVIZOEGEWDVLRY-FKIZINRSSA-N 368.385 3.834 0 1 FHAF biogenic,in-vitro Cc1cc2ncn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@H]34)c2cc1C 653793669 NPMDPIXHUDNEPJ-PKTZIBPZSA-N 374.488 3.619 0 1 FHAF CCOC(=O)c1ccccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439429 ALLKIXOHDYXRLD-IIBYNOLFSA-N 352.386 3.535 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CCC13CC3)O2 587400012 NGVJEJRKBLCXBC-OAQYLSRUSA-N 372.465 3.702 0 1 FHAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)CC(C)C)nc2c1 586902104 YIDVAOMSSPWITJ-LBPRGKRZSA-N 355.232 3.582 0 1 FHAF COc1cccc(C(=O)c2ccc(-c3nc4cc(N)c(N)cc4[nH]3)cc2)c1 587932762 QGNOTKUDUXVXJL-UHFFFAOYSA-N 358.401 3.634 0 1 FHAF COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C=O)c1 587522822 HXVVXVRADZJFMS-FQEVSTJZSA-N 364.397 3.871 0 1 FHAF Sc1nc(S)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2n1 587032405 JVDYSYSRKVFKPY-UHFFFAOYSA-N 371.516 3.938 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2N)N1 587750378 UBIPRLXAIUYMLJ-HUTHGQBESA-N 365.246 3.674 0 1 FHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc4c(cc3[nH]2)OCO4)s1 587022865 BIXLXSQLOKJGSQ-UHFFFAOYSA-N 360.395 3.762 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1nc4ccc(Cl)cc4[nH]1)[C@@H](C2)C3=O 587420870 JNQOPKSEOAUMEL-HXPMCKFVSA-N 354.793 3.888 0 1 FHAF CC(C)[C@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197808 OWFWGGHSGIXMLG-HUUCEWRRSA-N 361.446 3.851 0 1 FHAF Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587581134 KDZVERHJGQHXGD-XMSQKQJNSA-N 372.380 3.982 0 1 FHAF CC(C)Oc1cc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2cc1Br 586907156 SVFXARFXXMVLMJ-SECBINFHSA-N 367.243 3.922 0 1 FHAF CCOC(=O)[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992674 RMPZHOURNLXGRH-AWEZNQCLSA-N 359.381 3.745 0 1 FHAF C[C@@]1(Cc2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340410 SQPGMXPYJKDBHY-CTNGQTDRSA-N 364.376 3.682 0 1 FHAF COc1cc(/C=C\c2nc3cnc(Cl)[nH]c-3n2)ccc1Br 586977488 POYWQRFCQDUHMK-HYXAFXHYSA-N 365.618 3.899 0 1 FHAF COc1cccc(O[C@H](C)[C@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1 963643636 ZZZQVYFKGFVMIB-KIMHZCHSSA-N 371.477 3.929 0 1 FHAF Cc1cc2c(cc1O)[C@](C)(CC(C)(C)Nc1ccccc1)N[C@H](C(=O)O)C2 963505535 BUALFTCQJQCBCF-AVRDEDQJSA-N 368.477 3.796 0 1 FHAF COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1cc3c(cc1C2=O)CCC3 5539721 DKRRNCHPNPUSKH-DENIHFKCSA-N 360.413 3.689 0 1 FHAF CN1OCC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O 13558290 WCHLNFRLRNXITK-GXDHUFHOSA-N 367.511 3.925 0 1 FHAF N=c1[nH]c2ccc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2s1 1857558120 JOBYYAUGFMYSBN-UHFFFAOYSA-N 352.246 3.946 0 1 FHAF COc1cc(C(=O)c2cccc(-c3cccc(O)c3)n2)cc(OC)c1OC 1857558658 UWQQJLJCTQTPHC-UHFFFAOYSA-N 365.385 3.711 0 1 FHAF CCOC(=O)CCCn1cc(CN(C)C)c2cc(Br)ccc21 1857616492 MDDYMAUKNDPRRE-UHFFFAOYSA-N 367.287 3.809 0 1 FHAF Cc1ccc2c(c1)C(=O)N([C@H](CC(=O)O)c1ccc3ccccc3c1)C2=O 1857750478 QPDMDBVJZJWBTC-LJQANCHMSA-N 359.381 3.960 0 1 FHAF C[S@@](=O)c1ccc(C(=O)[C@H](Nc2nccs2)c2ccccc2)cc1 13588950 OBSDSXVVARSSEP-GYCJOSAFSA-N 356.472 3.917 0 1 FHAF c1ccc(-c2nnc3c4c(c(OCn5cccn5)nn23)C2CCC4CC2)cc1 13610407 VYRDWGGXTHOMJX-UHFFFAOYSA-N 372.432 3.779 0 1 FHAF C[C@]12CC[C@@H]3[C@H]4CC[C@@H](O)C[C@H]4CC[C@H]3[C@@H]1[C@H](O)C[C@@H]2c1coc(CO)c1 28567269 QITLQPRRSKXZHY-IXHFXMIZSA-N 374.521 3.840 0 1 FHAF Cc1cc(NC(=O)C(=O)c2cn(Cc3ccoc3)c3ccccc23)sn1 29415728 VGBPVJRZJYQYNF-UHFFFAOYSA-N 365.414 3.869 0 1 FHAF CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2C[C@@H]2C)c(Cl)c1 43073653 HXLHSQSKXGQBDL-PVCZSOGJSA-N 371.930 3.971 0 1 FHAF O=C(OC1=C2C=CC=C3CCN(C(=O)[C@H]1c1ccccc1)[C@H]32)c1ccccc1 72102671 FGMYBDTZWKYKQO-LEWJYISDSA-N 369.420 3.992 0 1 FHAF C[C@]1([C@@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(Cl)cc2)C1=O 72178062 OONQWFUJHNJNJX-WMLDXEAASA-N 365.813 3.620 0 1 FHAF CCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)cc2)c1 84669372 RVIRIGUKYXBDCG-UHFFFAOYSA-N 354.475 3.810 0 1 FHAF O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)[C@H]1CC1(F)F 96174707 OUAWWSNFVKSBFD-CYBMUJFWSA-N 352.344 3.508 0 1 FHAF C1=NN(c2ccccc2)[C@H]2[C@@H]3N(C=NN3c3ccccc3)c3ccccc3N12 102920966 BGUJUBCGEUFAEJ-SZPZYZBQSA-N 366.428 3.892 0 1 FHAF O=c1cccnn1-c1ccc2c(c1)CNC[C@@H]2c1ccc(Cl)c(Cl)c1 114509361 KILSXJAEWHCKLW-MRXNPFEDSA-N 372.255 3.774 0 1 FHAF O=c1[nH]c2ccc(OCCCCN3CCCCC3)cc2c2c1CCCN2 118734061 RAEGOSFNXPZLSV-UHFFFAOYSA-N 355.482 3.531 0 1 FHAF CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@H]1/C(=C\OC)C(=O)OC 143392280 NMLUOJBSAYAYEM-ZZZVPQKHSA-N 368.477 3.817 0 1 FHAF CN(C)CCOc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 149059325 HSPROWSSGBLYNN-UHFFFAOYSA-N 354.479 3.573 0 1 FHAF Cc1ccc(C(=O)N[C@@H]2CCN3CCc4c([nH]c5ccccc45)[C@@H]3C2)cc1 169321586 NTKBFFJDBQZACC-UTKZUKDTSA-N 359.473 3.968 0 1 FHAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(C2CCCC2)n1 299856632 KGZODYIEDJETCH-QGZVFWFLSA-N 355.438 3.860 0 1 FHAF CCOC(=O)Nc1ccc(N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 299857310 MTOOFKAYGQQJER-UHFFFAOYSA-N 367.449 3.784 0 1 FHAF CCN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccccc2F)n1 299884236 SRXBYVUFUIKAIQ-HUUCEWRRSA-N 370.472 3.857 0 1 FHAF OC1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCOCC1 586912800 GTDBWOMKHVUMIT-UHFFFAOYSA-N 354.250 3.599 0 1 FHAF Cc1nc(Br)sc1-c1nc2cncc(Br)c2[nH]1 587011310 NFCQGPDHQCOVRK-UHFFFAOYSA-N 374.061 3.915 0 1 FHAF Cc1ccc(-c2nc(-c3nc4nc(Br)c[nH]c-4n3)cs2)o1 587015999 DLAGUWFAJIWAAO-UHFFFAOYSA-N 362.212 3.759 0 1 FHAF CCOC(=O)c1cc(Br)c2[nH]c(COC(F)(F)F)nc2c1 587124745 OCDJLIYDFILBRU-UHFFFAOYSA-N 367.121 3.539 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2cc(F)c(F)cc2[nH]1)C[C@H]1CCCO1 587197841 VHYJGXPDHUQQCP-LLVKDONJSA-N 367.396 3.757 0 1 FHAF CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(C)cc1 587208112 ZDALOBITTBFXTG-CYBMUJFWSA-N 373.359 3.613 0 1 FHAF Cc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cc1F 587237842 ZNXWGEFRZKDKKE-UHFFFAOYSA-N 363.433 3.665 0 1 FHAF NC(=O)Nc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587243476 MJZZXASKBPCLLS-UHFFFAOYSA-N 366.606 3.531 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(F)(F)F)nn1C)CC2=O 587464303 NRKJYJJNQSSRAB-QGZVFWFLSA-N 368.355 3.978 0 1 FHAF COC(=O)C(C)(C)C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587808607 OQGCCXRIBKGOEP-XPTSAGLGSA-N 358.251 3.753 0 1 FHAF CCOC(=O)c1ccc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c2c1 587924674 ABZHXMBMFNMCAX-UHFFFAOYSA-N 368.433 3.932 0 1 FHAF O=c1nc(N2CCOCC2)oc2ccc(-c3cc4ccccc4s3)cc12 653714138 AAUAFCUKJPSFTD-UHFFFAOYSA-N 364.426 3.906 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)ncc12 1772589805 UYUAJOOGROYKAK-GDBMZVCRSA-N 364.453 3.848 0 1 FHAF CC1=NC[C@@H](c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)N1 1857598103 BOTOWVVPMRWZOP-KRWDZBQOSA-N 373.865 3.594 0 1 FHAF Clc1ccc(-c2[nH]c3cc4c(cc3c2Cn2cncn2)OCO4)cc1 1857744400 MVJJADKDLIJPHV-UHFFFAOYSA-N 352.781 3.857 0 1 FHAF COC(=O)C[C@H](C)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]12C 2356667815 QITUJLTUQMLIPF-JYTGUGRZSA-N 352.515 3.708 0 1 FHAF O=C(Nc1ccccc1)[C@@H]1CC=C[C@@H]2CCN(Cc3ccccc3)C(=O)[C@@H]21 12478315 GLUZLFQIKXZADR-NRSPTQNISA-N 360.457 3.866 0 3 FHAF COc1cc(OC)c(OC)cc1/C=C/c1cc(OC)c(OC)c(OC)c1 1544777 TUJXZOZTUNHJBT-BQYQJAHWSA-N 360.406 3.909 0 1 FHAF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4207021 VZKDFLWDDKQWQE-IEBWSBKVSA-N 372.852 3.585 0 1 FHAF Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 6779270 XANBQHZPXMNDCA-LBPRGKRZSA-N 362.476 3.537 0 1 FHAF CC(C)(C)c1cc(/C=C2/CCN(O)S2(=O)=O)cc(C(C)(C)C)c1O 13558288 ZHHHCZJNXYVNJZ-LCYFTJDESA-N 353.484 3.753 0 1 FHAF Cc1cc(=O)c(-c2cccc(F)c2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581181 RLQBRAOSTVYWMR-UHFFFAOYSA-N 358.390 3.825 0 1 FHAF O=C1[C@@H]2CCCC[C@H]2N=C(c2ccccc2O)N1CCc1cccc(F)c1 28522408 ZUJOBRTTXXDEKQ-IEBWSBKVSA-N 366.436 3.922 0 1 FHAF CC(C)CCn1c(CN2C(=O)[C@@](C)(O)c3ccccc32)nc2ccccc21 28824404 AKUMIEJKCUXQJL-QFIPXVFZSA-N 363.461 3.837 0 1 FHAF CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 42920061 PLBWSQXHXCLSCU-ZDUSSCGKSA-N 368.264 3.835 0 1 FHAF in-vitro COc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3n2)ccc1O 43021627 INTRLGLZZMHGAN-UHFFFAOYSA-N 357.373 3.882 0 1 FHAF CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)O[C@H](C)c1ccccc1 49087770 LGSWSRRTZWCPOD-VGSWGCGISA-N 351.446 3.915 0 1 FHAF CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ncn1 49421808 HBYWKRMABUTRHT-UHFFFAOYSA-N 364.453 3.540 0 1 FHAF COc1ccc(-c2cc3c(ccc4c5c([nH]c43)CCNC5=O)cn2)cc1F 72107491 HPRZHOXXSQXEIJ-UHFFFAOYSA-N 361.376 3.817 0 1 FHAF COc1cc([C@@H]2NCc3ccc4c(c3-n3cccc32)OCO4)ccc1F 82230205 PPYWFBZWXDOEQF-SFHVURJKSA-N 352.365 3.546 0 1 FHAF O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12 84756909 OEWNQGXQPWIWBZ-UHFFFAOYSA-N 362.776 3.947 0 1 FHAF CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@@H]2CO 95877930 NVJLVHOQCBPQQV-WEYGHZABSA-N 368.452 3.603 0 1 FHAF COc1ccc(CN2CC(O)=C(SCCc3ccccc3)C2=O)cc1 100603593 IGLARVZUGWFGMC-UHFFFAOYSA-N 355.459 3.783 0 1 FHAF CC(C)n1cnc2c(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)cc(Cl)cc21 100925731 JKCPJPRSHXMMGA-GJZGRUSLSA-N 360.889 3.626 0 1 FHAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](CC(C)(C)C)C[C@H]4[C@H](C2)N(C)CC[C@]314 101499131 IKEFFWJSZNGXRT-YHLTZRAJSA-N 369.505 3.596 0 1 FHAF CNC(=O)Oc1ccccc1OCCOc1ccc(C(F)(F)F)cc1 103214390 LCLYXAIKNRUJBK-UHFFFAOYSA-N 355.312 3.881 0 1 FHAF O[C@H]1CC[C@H](Nc2nc(NC3CCCCC3)ncc2-c2ccccn2)CC1 103242206 YYCBPQHVOAJHLZ-CALCHBBNSA-N 367.497 3.999 0 1 FHAF Cc1ccccc1[C@@H](O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1 116021800 HWVDIKCLIDWHAO-FQEVSTJZSA-N 357.413 3.719 0 1 FHAF O=C(NCc1cccc(Cl)c1C(F)(F)F)[C@H]1COc2ncccc21 205624642 CYUWZDWKCCCIIT-NSHDSACASA-N 356.731 3.546 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)C3(CC3)NC4=O)c2nc1NC(C)(C)C 206074239 WTOWWRBBMUWWAX-UHFFFAOYSA-N 361.449 3.876 0 1 FHAF CCc1cc(O)nc(SCc2nc3cccc(OC(F)(F)F)c3[nH]2)n1 586966507 GOKGOWHMZVPTPC-UHFFFAOYSA-N 370.356 3.812 0 1 FHAF CN1CCN(c2ccc3nc([C@@H]4SCCc5sccc54)[nH]c3c2)CC1 587036565 GFZLNBIFRMUORX-GOSISDBHSA-N 370.547 3.755 0 1 FHAF CCN1C(=O)C[C@@H](c2nc3ccc(C)nc3[nH]2)[C@@H]1c1ccccc1Cl 587060662 CCLLBKBURGQKQU-DYVFJYSZSA-N 354.841 3.997 0 1 FHAF CCN1C(=O)C[C@@H](c2nc3cncc(C)c3[nH]2)[C@@H]1c1ccccc1Cl 587061041 HXGIZCFDDICFLK-ACJLOTCBSA-N 354.841 3.997 0 1 FHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 587109707 SJEXOQRRMUSKNW-UHFFFAOYSA-N 362.267 3.529 0 1 FHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cncc(Cl)c4[nH]3)cc2N1 587126420 KAVMBKGZEOIIFV-LDWIPMOCSA-N 356.739 3.782 0 1 FHAF CN(C)c1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)nc1 587195018 QMNQBXNQLQKECJ-UHFFFAOYSA-N 352.623 3.502 0 1 FHAF Oc1ccc(Nc2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cc1 587242528 OXUHOLVZJGUKGJ-UHFFFAOYSA-N 369.388 3.655 0 1 FHAF CC1(C(=O)O)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347324 AAQJOCVLLVNRKA-PBPGXSGUSA-N 356.349 3.514 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc4scc(C)n14)[C@@H](C2)C3=O 587454008 UFTLHGOJPDRAIU-ZUZCIYMTSA-N 360.822 3.855 0 1 FHAF C[C@@H]1CCCCN1C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582524 LYJGOOYWGIXQBF-MPHOGZCYSA-N 367.445 3.987 0 1 FHAF C[C@]1(CCCCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604312 SMGHCAFALYFGGS-FXAWDEMLSA-N 356.374 3.758 0 1 FHAF COC(=O)c1coc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587827765 KVAVGZUWKADIEB-AYVTZFPOSA-N 368.202 3.591 0 1 FHAF Cc1ccc([C@@]2(c3ccccc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cn1 963035125 WIYRQCNZTBKGEU-BXKMTCNYSA-N 369.468 3.735 0 1 FHAF Cc1ccnc([C@@]2(c3ccccc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963035536 RXURBWNPOYFNDB-XDHUDOTRSA-N 369.468 3.735 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@@H]([C@H]2NCCc3cnc4c(OC)cccc4c32)C1 963047823 QBAAOFMKLJDYFM-STXHMFSFSA-N 368.477 3.800 0 1 FHAF COc1ccc(Nc2c(-c3ccc4nccn4c3)nc3cnccn23)cc1 1857590629 MOAYUZKJSYNFBO-UHFFFAOYSA-N 356.389 3.796 0 1 FHAF COc1c2c(cc3oc(C)cc(=O)c13)O[C@@H](C(C)(C)OC(=O)C=C(C)C)C2 2356525448 PGWFRPVYUOMSLM-QGZVFWFLSA-N 372.417 3.702 0 1 FHAF CC(=O)NCCNc1nc(NC(C)C)nc2cc(-c3ccccc3)sc12 61895805 JOAFWSCMGMQCQW-UHFFFAOYSA-N 369.494 3.727 0 3 FHAF COCc1[nH]nc2c1[C@@H](c1ccc(C)cc1)N(c1ccc(OC)cc1)C2=O 199731488 ULAOLIIITVFRAP-HXUWFJFHSA-N 363.417 3.623 0 3 FHAF COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 2487167 ZOQDHWJAGWDOJC-SFHVURJKSA-N 360.498 3.541 0 1 FHAF O=C1CC(c2cccc(-n3ccnn3)c2)=Nc2ccc(C(F)F)cc2N1 101144618 IQWHZSNUOSRCCB-UHFFFAOYSA-N 353.332 3.668 0 1 FHAF C[C@@]12CCCC(COC(=O)c3ccncc3)=C1C(=O)O[C@H]2c1ccoc1 103206789 FYYWLZGXVSSGDC-FXAWDEMLSA-N 353.374 3.616 0 1 FHAF COc1cc(C(C)=O)ccc1OC=Cc1ccc(OC(C)=O)c(OC)c1 2356459133 ZLCSJOPDZMBUBJ-UHFFFAOYSA-N 356.374 3.881 0 1 FHAF CCCNC(=O)[C@]1(C)CCCN(C(=O)Cc2ccc3ccccc3c2)C1 61925963 JFWKNASGSKFQCX-JOCHJYFZSA-N 352.478 3.537 0 3 FHAF COC[C@H](O)COc1ccc(OCc2cccc(Cl)c2)cc1C(C)=O 28222194 XYKKEWPKVZCKON-INIZCTEOSA-N 364.825 3.508 0 1 FHAF COC(=O)[C@]12CCC[C@@]3([C@@H]1CC[C@H]1[C@@H](C)c4ccoc4C[C@H]13)[C@H](OC)OC2 2356689251 CFHDLAKXWKVAMW-DXUNQCLHSA-N 374.477 3.914 0 1 FHAF Cc1ccc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)c(C)n1 26566576 AHELSZNUNKKWNO-UHFFFAOYSA-N 352.365 3.853 0 1 FHAF COC(=O)CCCCCCC[C@@H](O)[C@H](O)CCCCCCCC(=O)OC 13336108 OMYZAYMSFKGQEX-QZTJIDSGSA-N 374.518 3.516 0 1 FHAF biogenic COc1ccc2c(c1)-c1c(c3ccccc3n1CCN1CCOCC1)CC2 31872431 OADMYZYVJIFDEM-UHFFFAOYSA-N 362.473 3.748 0 1 FHAF Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(N2CCN(C)CC2)n1 36216436 JXJXUPSKYPWNKB-UHFFFAOYSA-N 369.321 3.995 0 1 FHAF CCC(=O)Nc1c(Cc2cc(Cl)cc(Cl)c2)c(CC)nn1CCO 45245250 DNQRVNDYGUHZNX-UHFFFAOYSA-N 370.280 3.684 0 1 FHAF COc1ccc([C@H]2COc3c(cc(CC=C(C)C)c(O)c3O)C2=O)cc1 43153664 GZHUBHCWTDDVND-QGZVFWFLSA-N 354.402 3.974 0 1 FHAF CCCCCNc1ncnc2c1nc(-c1ccoc1)n2C[C@H]1CCCO1 82186297 VGFIIVLWQYIGHQ-OAHLLOKOSA-N 355.442 3.867 0 1 FHAF CCCCOC(=O)Cc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12 142257454 QVQDZOTUVIMWTR-UHFFFAOYSA-N 368.385 3.757 0 1 FHAF Brc1c[nH]c2nc([C@H]3SCCc4sccc43)nc-2n1 587036432 BDYVWQFSUUHWRQ-VIFPVBQESA-N 353.270 3.507 0 1 FHAF COC(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587809101 QJXQOAHUUABUEB-BMLIUANNSA-N 372.278 3.927 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(F)cc3F)CC1)O2 587387041 ZBZXRSWTSWEION-UHFFFAOYSA-N 358.388 3.860 0 1 FHAF CCOC(=O)[C@H](C)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441133 JCMWWYZQMRJOML-OIAISFKWSA-N 366.413 3.537 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2cc(C(F)(F)F)ccc2[nH]1 586967481 ZDTUDDJNTQEILF-UHFFFAOYSA-N 353.325 3.820 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CCO)cc2)N1 587829205 WJMMNHRBVATYEA-ZMZPIMSZSA-N 364.258 3.747 0 1 FHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(C(=O)O)c2[nH]1)C(C)(C)C 587205439 RFWWFELURKPCIC-CYBMUJFWSA-N 361.442 3.743 0 1 FHAF Cc1cc2c(cn1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588689 UNMBVGXDFIGKAU-DENIHFKCSA-N 359.381 3.899 0 1 FHAF COc1cccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587655735 ACJKHNRNNRVYJC-UHFFFAOYSA-N 365.339 3.735 0 1 FHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1nnc2ccccc21 587622530 CIJUVSRXERTWHP-UHFFFAOYSA-N 367.210 3.849 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H]2CC3=O)N1 587830177 TXFJLJQJXJVNPT-JKFAMXTESA-N 352.247 3.707 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)ccnc2Cl)N1 587708097 XVEXTYROGHECJA-WJWGPLDTSA-N 370.653 3.842 0 1 FHAF CC1=C(c2ccc3nc(-c4cc(F)c(C)c(F)c4)[nH]c3c2)NNC(=O)C1 587134803 NHUUCBIUQFSZRE-UHFFFAOYSA-N 354.360 3.572 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cc(F)cc(F)c1)[C@@H](C2)C3=O 587426627 FGFHVEDRWCSHLC-XOBRGWDASA-N 368.339 3.852 0 1 FHAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587396824 PQAYWKGCSZNOBE-HXUWFJFHSA-N 356.422 3.579 0 1 FHAF N=C(N)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587162748 ITONRUVBDMYNBL-UHFFFAOYSA-N 373.391 3.905 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)cnc1F)O2 587387468 SARBEAMRQJEZKH-MRXNPFEDSA-N 365.202 3.754 0 1 FHAF C[C@@]1(c2cccnc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340937 XBQZWFUPTYDALM-RXVVDRJESA-N 364.376 3.783 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCN(C)C2)N1 587762631 UJEDVJPNEUKUTJ-CJBNDPTMSA-N 355.295 3.679 0 1 FHAF COC(=O)C(=O)c1c(-c2cn(C)c3ccccc23)[nH]c2cccc(F)c12 587635803 NKCKZYLVBWMCIG-UHFFFAOYSA-N 350.349 3.821 0 1 FHAF CSCC[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962925973 KSMQTRAJMWLQDD-AZUAARDMSA-N 373.474 3.752 0 1 FHAF O=S(=O)(Nc1cc(F)cc(Oc2cccnc2)c1)c1ccc(F)cc1 1772653447 OJSJYLMTZXCTPH-UHFFFAOYSA-N 362.357 3.953 0 1 FHAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)C1CCCCC1 13488379 RSHHWIMRRJFJJN-NTLDXJMESA-N 351.487 3.510 0 1 FHAF CN(C)C(=O)C[C@]1(O)CCC[C@H](/C=C/[C@H](O)CCCCc2ccccc2)C1 13803267 LQQOFRLZJKZLCO-ZMYMWAMOSA-N 373.537 3.716 0 1 FHAF COc1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1OC 14964236 UWPYDBFFBODQBL-UHFFFAOYSA-N 360.414 3.997 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(OC)c1 169723951 KUCNRBSKLXDTRH-AEFFLSMTSA-N 373.449 3.658 0 1 FHAF O=C1CCCC2=Nc3nonc3N[C@@H](c3ccc(Cl)cc3Cl)[C@@H]12 1857593373 HFRIRNBBEHYYQZ-OLZOCXBDSA-N 351.193 3.985 0 1 FHAF Cc1cc(CCCOc2c(C)cc(-c3noc(N(C)C)n3)cc2C)on1 26482583 KMTRDKGXBZIXRW-UHFFFAOYSA-N 356.426 3.727 0 1 FHAF O=C1[C@@H]2CCC[C@H]2N=C(c2ccccc2O)N1CCc1cccc(F)c1 28522635 RVUYYDYEDLCXFG-SJLPKXTDSA-N 352.409 3.532 0 1 FHAF Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2NC[C@@H]4C)cc(C)n1 29404117 UKMWHQNNGCKKJS-NSHDSACASA-N 367.380 3.504 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@H](Cc1cccc(CN3CCCC3)c1)C2 40405256 YCLJOKFUFRTIMH-LJQANCHMSA-N 365.473 3.897 0 1 FHAF CCc1ccc(NC(=S)OCCN2C(=O)c3ccc(C)cc3C2=O)cc1 40405669 VLKUVIMAJYSIMF-UHFFFAOYSA-N 368.458 3.567 0 1 FHAF CCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 40877513 XZSQIFFQVQMLFK-INIZCTEOSA-N 367.445 3.965 0 1 FHAF O=C(NCc1ccccc1)c1cnc(NCC2CC2)nc1-c1ccccc1 82133260 WPFMQAKAPTZBHN-UHFFFAOYSA-N 358.445 3.896 0 1 FHAF CCC[C@@H](C(=O)O)N(C)CC(=O)OCC1c2ccccc2-c2ccccc21 95535274 GAXFGDLSUWTVSC-FQEVSTJZSA-N 367.445 3.527 0 1 FHAF COc1ccc(-c2ccc3cccc4c3c2C(=O)N(CCN(C)C)C4=O)cc1 96939251 FKGWCTATQZOLGU-UHFFFAOYSA-N 374.440 3.673 0 1 FHAF CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CCO)CC1 147100468 FXLSAPYKDUXXOU-UHFFFAOYSA-N 352.522 3.837 0 1 FHAF CC1=NC(=O)N[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)OC1CCCCCCC1 169687885 MRFXDWPEGGXWFA-MSOLQXFVSA-N 358.438 3.890 0 1 FHAF CO[C@@H]1C=C(C(=O)O)[C@]2(C)CC[C@@H](C)[C@](C)(CCC3=CCOC3=O)[C@H]2C1 238742714 YWJHZGOKKDDVHY-KBIZWZQZSA-N 362.466 3.738 0 1 FHAF COc1ccc(S[C@H](c2ccccc2)c2oc(CO)cc(=O)c2O)cc1 299831997 PKDNLCPRZBCQOT-HXUWFJFHSA-N 370.426 3.728 0 1 FHAF O[C@@H]1C[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)c2ccccc21 586901457 HTAHUGPFSDEUOF-GXSJLCMTSA-N 364.630 3.943 0 1 FHAF Cc1nc(C2CC2)sc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587012611 QECHPXYMJXGZEL-UHFFFAOYSA-N 354.479 3.704 0 1 FHAF CN(C)CCOc1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587084107 GIRGHXFQLIOMCY-UHFFFAOYSA-N 356.857 3.632 0 1 FHAF Fc1c(Cl)cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1F 587128525 OMTACUAAFNYBNP-UHFFFAOYSA-N 356.670 3.537 0 1 FHAF CN1CCN(c2ccc3nc(/C=C/c4ccc(F)cc4F)[nH]c3c2)CC1 587150062 JHVSEJBTFWEOOR-XVNBXDOJSA-N 354.404 3.763 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc3n[nH]c(Cl)c3c1)CC2=O 587459627 DYSNNRKMSWAIMS-HNNXBMFYSA-N 357.797 3.976 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccccc1F)CC2=O 587467434 SDOSLOKIKDQKMY-NRFANRHFSA-N 372.392 3.908 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)ccc1C=O)CC2=O 587477720 GCTSHGOUDOPPEU-IBGZPJMESA-N 368.385 3.650 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N1CCCC[C@H]1C)CC2=O 587481069 XRHVBSQRMBTOOJ-SPLOXXLWSA-N 359.466 3.860 0 1 FHAF O=C1C[C@@](CCc2ccccc2)(C(=O)O)Oc2c1ccc1c2CCCC1 587529281 MRQIVXGVTOISOC-QFIPXVFZSA-N 350.414 3.987 0 1 FHAF C[C@@]1(c2c(N)cccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554526 DPGLPNQGHMITME-RXVVDRJESA-N 365.360 3.991 0 1 FHAF Cc1ccnn1C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587760762 QLEMSEYPKHUKDR-QLJPJBMISA-N 352.251 3.543 0 1 FHAF COc1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1O 587785781 GPDYMQHLNSLRGO-UHFFFAOYSA-N 359.254 3.993 0 1 FHAF O=C1Nc2c(ccc(F)c2F)[C@@]12NCCc1cccc(-c3ccccc3)c12 962666508 MTCHYXARLXBYCJ-QFIPXVFZSA-N 362.379 3.973 0 1 FHAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1c(C)[nH]c(C)c1C 963197124 YGIHKCCFIBWNDM-OAQYLSRUSA-N 370.493 3.698 0 1 FHAF Cc1cc(-c2nc3ccccc3n2[C@H](C)C2CCOCC2)cn(C)c1=O 1857565624 VWXSUJYWCXZAIC-OAHLLOKOSA-N 351.450 3.698 0 1 FHAF CC=C(C)[C@@H]1O[C@](O)([C@@H]2C[C@H](CC(C)C)NC2=O)C[C@H]2CC=C(C)C[C@@H]21 2356395986 ZQVUGTNCXDEQJP-CQZAQUGVSA-N 361.526 3.953 0 1 FHAF CC(=CCCc1ccoc1)C[C@H](O)C[C@H](C)CCCC1=CC(=O)O[C@@H]1O 2356618644 BUUWGAHLHPTCTL-PBEJRMEISA-N 362.466 3.908 0 1 FHAF CC(=O)C[C@]1(OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C(=O)Nc2ccccc21 1640728 AYRGLPVOHJUCOU-LDBYXDLTSA-N 355.434 3.595 0 1 FHAF C[C@@]12CC[C@@H]3[C@@](CC[C@@H]1C1=CC(=O)OC1)(CC[C@@H]1C[C@@H](O)CC[C@@]31C)C2=O 2356446053 WLKITKZNBMSWFH-POVVBGRFSA-N 372.505 3.813 0 1 FHAF COc1nc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc2o1 28525074 ULPKMYHASDMWRW-UHFFFAOYSA-N 368.437 3.620 0 1 FHAF COc1cc(CC[C@@H](C[C@@H](O)C2CCC(C)CC2)OC(C)=O)ccc1O 2356365950 VXHKXDWRWQUAIY-HYRAECKPSA-N 364.482 3.842 0 1 FHAF Cc1ccccc1OC[C@@H](O)CNC(C)(C)Cc1cn(C)c2ccccc12 26730870 ACFFTANHMNXQQW-IBGZPJMESA-N 366.505 3.837 0 1 FHAF Cc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)cc2c1OCO2 2356405227 LODNQAFUIQQIPG-YQMDMEMYSA-N 368.385 3.528 0 1 FHAF COc1ccc([C@@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)cc1 64549480 NDWXVRXJZNVDPB-OAQYLSRUSA-N 367.351 3.966 0 1 FHAF O=S1(=O)N=C(OCc2ccc(-c3ccccc3)cc2)c2ccccc2N1 27737295 PKQXFAAQIDADMH-UHFFFAOYSA-N 364.426 3.987 0 1 FHAF COc1c2ccoc2cc2oc(-c3cccnc3)c(CN(C)C)c(=O)c12 28712687 GJMFGJOXPKKMKU-UHFFFAOYSA-N 350.374 3.671 0 1 FHAF Fc1ccc2nc(CO[C@@H]3CN(Cc4ccccc4F)C[C@H]3F)[nH]c2c1 2356504666 AACNFPFWXNTEAX-CRAIPNDOSA-N 361.367 3.580 0 1 FHAF CN(Cc1n[nH]c2c1CCCCC2)C[C@]1(c2cccc(F)c2)CCOC1 20820797 CXFAIQCDFNHYBB-OAQYLSRUSA-N 357.473 3.608 0 1 FHAF Clc1cccc([C@@H](c2ccc(CN3CCNCC3)cc2)n2ccnc2)c1 29135282 GBDXIBWIVZCVKE-OAQYLSRUSA-N 366.896 3.579 0 1 FHAF C=CCOc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@H](C)C(=O)N1CCCC1)CC2 4222593 WWJNGPMTEMSZSX-UQASEVPWSA-N 357.494 3.723 0 1 FHAF biogenic O=C(O)COc1ccc(CN2CCC[C@H](CCc3ccccc3)C2)cc1 72153852 LOPOHGGHLQAUBC-LJQANCHMSA-N 353.462 3.995 0 1 FHAF CC(=O)[C@@H](C)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101544 CKIZKPAUEJIIQZ-QVKFZJNVSA-N 371.912 3.856 0 1 FHAF CC1(C)C=Cc2c(ccc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)O1 14690581 NQLFKRRSBSAFQZ-MRXNPFEDSA-N 354.358 3.694 0 1 FHAF biogenic O=C1Nn2c(nc3c(sc4ccccc43)c2=O)S[C@@H]1c1ccccc1 84730367 PRAQTDPBTGRPNB-CQSZACIVSA-N 365.439 3.528 0 1 FHAF N#Cc1c(-c2ccc(F)cc2)cncc1-c1cnc2c(c1)CCCN2C(N)=O 221403138 SOJFJDSLKCHXDI-UHFFFAOYSA-N 373.391 3.653 0 1 FHAF COC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1C 84587174 ZYQMWLIENUFZCY-UHFFFAOYSA-N 368.393 3.877 0 1 FHAF O[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccc(Br)cc1 96286440 FZMGJYBCPDAGRU-IRXDYDNUSA-N 358.239 3.558 0 1 FHAF O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc3nonc3c2)C1 96902109 LOKCGQMABNKXKB-OAHLLOKOSA-N 355.825 3.971 0 3 FHAF CCO[C@@H]1C[C@@H](C2=CCOC2=O)C[C@@H]2c3c(c4ccccc4n31)CCN2C 85567248 HUPABXKIDWFUOR-VHKYSDTDSA-N 366.461 3.599 0 1 FHAF biogenic Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(C3CCOCC3)cc2c1 299866360 ORKMNPFJFPXKCX-UHFFFAOYSA-N 350.344 3.876 0 1 FHAF COc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2O)c(OC)c1 299837283 JTGNQQWNNASRBQ-QGZVFWFLSA-N 365.838 3.841 0 1 FHAF COc1ccnc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587768905 DQCOWOQEICFGJS-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)cn1 587551759 JGESTXORJKGSSI-CRAIPNDOSA-N 354.749 3.539 0 1 FHAF COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587771477 LWHUUOMDMJOEBM-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OC[C@@H]1CCCO1)[C@@H](C2)C3=O 587455979 RPKVHAHOTWPWIL-JKXTWKSPSA-N 366.413 3.742 0 1 FHAF C[C@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)C=C(c2ccccc2F)NO1 587154679 GBDLUJGIESDUJM-MRXNPFEDSA-N 364.302 3.907 0 1 FHAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(O)nc(S)nc3[nH]2)cc1 587157598 BPHBDIHAWJWARG-UHFFFAOYSA-N 366.377 3.633 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnc(SCC(C)C)nc1)[C@@H](C2)C3=O 587449133 BFUXVTJQYDLWEY-KSSFIOAISA-N 356.447 3.722 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)NCc1ccccc1)CC2=O 587467749 CDQKJOOHSNJXHD-QFIPXVFZSA-N 367.445 3.775 0 1 FHAF Oc1nc(O)c2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2n1 587163495 KAXXONSMHMRYEO-FLIBITNWSA-N 354.366 3.554 0 1 FHAF COc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1OC 587042350 SLCKMDZGHJFEHD-MAUKXSAKSA-N 355.463 3.526 0 1 FHAF Cc1cnc(-n2ncc3ccc(Cl)cc3c2=O)c(Br)c1 587651570 WFZKLSGYVGQWRG-UHFFFAOYSA-N 350.603 3.505 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1n[nH]cc1Cl 587861089 MQYJQLXXPNVUQF-UHFFFAOYSA-N 370.718 3.643 0 1 FHAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(C(F)(F)F)cc2[nH]1 587225698 RMZCLONWWLXBBI-LLVKDONJSA-N 363.339 3.665 0 1 FHAF Sc1nnc(SCc2nc3c(Cl)cnc(Cl)c3[nH]2)s1 587025567 OMGOOIIYMGFRLE-UHFFFAOYSA-N 350.281 3.697 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccc(F)cc4)on1)[C@@H](C2)C3=O 587428813 QELAVOXGFQBEDH-VBKZILBWSA-N 351.333 3.978 0 1 FHAF Cc1cccc2nc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)ccc12 963226156 KNKMCQWCCWPPJP-FGZHOGPDSA-N 369.424 3.780 0 1 FHAF COc1cc(OC)c([C@@H]2NCCc3c2sc(C)c3C)c(OC)c1OC 963015220 WNTDZNJPGLXJAA-INIZCTEOSA-N 363.479 3.634 0 1 FHAF COc1cc2c(cc1OC)[C@@](C)(c1nc3c(s1)CCC3)N(C)[C@@H](C)C2 962618809 DWTGFOXDCNZBLK-YUNKPMOVSA-N 358.507 3.789 0 1 FHAF Cc1c(-c2c3c(N)nnc(O)c3nn2-c2ccccc2)oc2ccccc12 36649135 FSSYFSGWGZLEBJ-UHFFFAOYSA-N 357.373 3.825 0 1 FHAF CCOc1ccc2nc(CN3CCC([C@@H]4CCN(C)C4)CC3)ccc2c1 11753460 FZHIVUHKIQRKPM-LJQANCHMSA-N 353.510 3.797 0 1 FHAF CSCCCN[C@@H]1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1 12099258 GYSDYQNOUMHPII-MRXNPFEDSA-N 362.518 3.779 0 1 FHAF CCOC(=O)[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 13491913 OYVHGIIMTHUYCL-HXUWFJFHSA-N 351.446 3.812 0 1 FHAF CC(=O)OC1=C(c2ccccc2)S(=O)(=O)c2ccccc2-n2cccc21 13739868 QIKQACBYZSRVAL-UHFFFAOYSA-N 365.410 3.654 0 1 FHAF O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 682976 ACDDETKLZLVENH-UHFFFAOYSA-N 355.390 3.858 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(SCC)nn2[C@@H]1c1ccc(OC)cc1 102650974 SZIVARKSZDTPHQ-VZHUHSAUSA-N 374.466 3.900 0 1 FHAF COc1ccccc1NC(=O)c1cc(Cl)c(OCCN)c(Cl)c1 28966924 AWIXUOKVWGYYEB-UHFFFAOYSA-N 355.221 3.592 0 1 FHAF CCNC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3ccccc3)cc2)C1 72126017 PBYPEHHPPYTSQD-MOPGFXCFSA-N 365.477 3.804 0 1 FHAF CCCCOc1cc(C(=O)O)cc(NC(C)=O)c1C(=O)c1ccccc1 39222753 AAMJJVGZBJJRJA-UHFFFAOYSA-N 355.390 3.753 0 1 FHAF CCN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 82141577 IPHMQMMYYPEPHI-HUUCEWRRSA-N 370.472 3.857 0 1 FHAF CCCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1 40951933 NDXDMVWHUYNMJE-NRFANRHFSA-N 364.489 3.726 0 1 FHAF COc1ccc(OC)c(-c2cc(NCc3ccc4c(c3)OCO4)ncn2)c1 82160962 PIURORBCZRFSDL-UHFFFAOYSA-N 365.389 3.502 0 1 FHAF Cc1cc(O)c(-c2ccc(CCN)cc2)c2c1[nH]c(=O)c1sccc12 149516236 SKDPRRGUNJCYCL-UHFFFAOYSA-N 350.443 3.925 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4cc(O)ccn4)c1)[C@@H](C2)C3=O 587437418 ZYCQGNJUKPMZSX-HTAPYJJXSA-N 359.381 3.952 0 1 FHAF CC[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339060 DJWGMZCVXSMXRR-PZJWPPBQSA-N 366.392 3.929 0 1 FHAF Cc1cc2nc(CC(=O)OCc3ccccc3)[nH]c2cc1Br 587782336 SIELUWRDDDNWRO-UHFFFAOYSA-N 359.223 3.920 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)O)c2)N1 587828443 SQWHQOCMMZWSRF-FVMDXXJSSA-N 364.214 3.910 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3cc(C(=O)O)ccc13)CC2=O 587479815 CTEDQIIMLOUVNG-QGZVFWFLSA-N 366.373 3.626 0 1 FHAF COc1cc2c3c(c1)OC1(CCN([C@@H]4CCCC[C@H]4C)CC1)[C@@H](C2)C3=O 587439083 SUEPILFUAYKSRI-FHLIZLRMSA-N 355.478 3.856 0 1 FHAF Clc1ncc(Br)c2nc([C@@H]3COc4ccccc4O3)[nH]c12 586917863 HMOAQOZNSQDFCG-JTQLQIEISA-N 366.602 3.886 0 1 FHAF CC(=O)C[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587719673 LLZWQJQLRUYIDI-WJWGPLDTSA-N 350.178 3.562 0 1 FHAF COc1cccc(-c2c(CC(=O)O)c(CN)nc3c2oc2ccccc23)c1 587363960 XXHUIIRHQJZQFT-UHFFFAOYSA-N 362.385 3.742 0 1 FHAF COC(=O)C[C@@H]1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587806033 IKNKXJBRMBOVRL-RLFDGXBXSA-N 370.262 3.681 0 1 FHAF O=C(O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587006591 IOUSBTZFSDDFEW-UHFFFAOYSA-N 357.167 3.567 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc2c1 587163625 NHRZPKJOMWSOIW-INIZCTEOSA-N 361.804 3.793 0 1 FHAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)sc2ncnn12 587537186 BPRMSHNAOPQWSB-IBGZPJMESA-N 353.447 3.859 0 1 FHAF COCCC[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429124 SRQOQAUHSOSFSI-DYESRHJHSA-N 356.393 3.904 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2cnn(C)c2)C1(C)C 587481014 XIGYMLJNRZUKNO-IIBYNOLFSA-N 354.450 3.996 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)([C@@H](C)O)N1 587847270 JYQGWHPELNSSGC-XIZWVBILSA-N 370.287 3.808 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCC(=O)O)N1 587828280 OLMOJPSRPYTLEW-MGPLVRAMSA-N 358.251 3.983 0 1 FHAF COc1ccc([C@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587938773 ZWMAJMGKSDDXNV-HXPMCKFVSA-N 354.406 3.570 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C)C(=O)O)(c1cccc(F)c1)O2 587386409 XWOVFBLFSCNOQH-ODXCJYRJSA-N 357.381 3.688 0 1 FHAF CO[C@]1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587602427 XPAHXPJFYUXDHG-HBGVWJBISA-N 354.402 3.928 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn(-c3ccccc3)nn1)CC2=O 587475812 MWQDNLWOENHKED-OAQYLSRUSA-N 363.417 3.806 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)O)CC2)N1 587828569 TZVFEZAQIPCNOY-CYWKSYIRSA-N 356.235 3.593 0 1 FHAF Cc1cccc2nc([C@H](C)n3ncc(I)c3C)[nH]c12 587181828 FIFYAXXSDCQMOM-JTQLQIEISA-N 366.206 3.590 0 1 FHAF Cc1ccc(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1C 587652569 VKVQDPPDCLXJRY-CYBMUJFWSA-N 356.809 3.774 0 1 FHAF CCOC(=O)C[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352279 WECXLAHUIAHYKG-TZIWHRDSSA-N 372.392 3.992 0 1 FHAF COc1ccc(O)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587804628 BZDWUHONEWVGLC-XYZCENFISA-N 366.230 3.926 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Cc3ccccc32)[C@@H]1c1ccc(F)cc1 587355851 XCMDTDVVLIMSCC-GGAORHGYSA-N 374.367 3.911 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](CC1CCC1)[C@H]1NCCc2c(C(=O)O)cccc21 963125772 UMJYTHMCRPEAHB-ROUUACIJSA-N 374.481 3.655 0 1 FHAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(CC1OCCO1)c1ccccc1F 963111814 RNFRHFFMVPMTQW-VGSWGCGISA-N 371.427 3.992 0 1 FHAF OCCCNc1cncc(-c2ncc(Nc3cccc(Cl)c3)cn2)c1 13612166 JBKMFQCOYQUYDY-UHFFFAOYSA-N 355.829 3.730 0 1 FHAF c1ccc(CN2CC[C@@H](NCCN3CCC(c4ccccc4)CC3)C2)cc1 1857541915 UMKNUQRTXREFDM-XMMPIXPASA-N 363.549 3.730 0 1 FHAF O=C(O)COc1ccc(OCc2nc(-c3ccccc3)cs2)cc1F 1857563004 BSZHZUTYJJTQEU-UHFFFAOYSA-N 359.378 3.992 0 1 FHAF COc1ccc2c(n1)[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3[C@H]1N2 1857602063 NSKDZYKXOGXSNW-SLFFLAALSA-N 358.397 3.924 0 1 FHAF COc1cc(N2CC[C@H](c3cccc(F)c3)C2=O)ccc1-c1cn[nH]c1 584629648 KXGHXYFGWYUQQX-GOSISDBHSA-N 351.381 3.745 0 1 FHAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccc(Cl)cc2N)C1 3296878 XGWYJHQRZQXMAE-BFUOFWGJSA-N 364.873 3.506 0 1 FHAF CC(C)CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 7005405 CYNQWEPOQKAMMP-UHFFFAOYSA-N 368.402 3.746 0 1 FHAF COc1cccc(N2C[C@@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)c1 38914160 QYQJPFJLNUYYCT-ZDUSSCGKSA-N 369.808 3.919 0 1 FHAF COc1ccccc1CN1C[C@]2(CC(C)(C)Oc3ccccc32)OCC1=O 40847527 NYPPPDUQDYVSAM-QFIPXVFZSA-N 367.445 3.511 0 1 FHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1c(F)c(F)cc(F)c1F 100018877 PNHNDJOGVGSGSR-HMHNVIDESA-N 373.302 3.664 0 1 FHAF COc1ccc(-c2cc(=O)c3c(O)cc(OC(C)C)c(OC)c3o2)cc1 103208064 JNFKJALDRFBSPH-UHFFFAOYSA-N 356.374 3.970 0 1 FHAF O=C(c1cc(Br)c[nH]1)N(Cc1ccc(O)cc1)CC1CCC1 103232587 SMPZXVZKUBABBW-UHFFFAOYSA-N 363.255 3.925 0 1 FHAF C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 257767870 ZICGJBPBLVXOBM-YVCUKZJRSA-N 372.505 3.524 0 1 FHAF COc1cc(OC)c2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2c1 587147996 XJDOOZYZERWDTM-UHFFFAOYSA-N 370.359 3.926 0 1 FHAF CN1CCN(c2ccc3nc([C@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)CC1 587163570 RRHIMXKSDMZFAD-MSOLQXFVSA-N 350.441 3.725 0 1 FHAF CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(C)cc1 587207783 VTAPJWOIITVKMV-CYBMUJFWSA-N 362.355 3.705 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(O)c(Cl)cc(Cl)c1O)[C@@H](C2)C3=O 587422017 OUVBXAGMRUPZFO-WNWIJWBNSA-N 367.184 3.902 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(C=O)n(C)c1)[C@@H](C2)C3=O 587432214 VBWOAIDHVFQUGD-WMZHIEFXSA-N 373.408 3.537 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OCC)cn1)CC2=O 587486782 LLBGLTVFSCUDFJ-SFHVURJKSA-N 355.390 3.623 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(OC)ccc31)CC2=O 587492562 RDDLAVDCIHKZEF-OAQYLSRUSA-N 354.402 3.997 0 1 FHAF COc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599334 FLSJXEDSPBVQGK-WIYYLYMNSA-N 364.353 3.809 0 1 FHAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1cccc(OC(F)F)c1 587634414 XWZKCEDJGPHBKJ-UHFFFAOYSA-N 363.291 3.926 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)c(Cl)c2)N1 587693731 FFZOWPFSNWCKCZ-JKYUHCHBSA-N 371.637 3.966 0 1 FHAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1CCF 587718255 NKCLHYNRRBCGBA-ABKXIKBNSA-N 370.241 3.686 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cn2)N1 587736501 WDOKBPSZTWOXII-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF CCOCCOCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587779235 WJXNIDJPSVKCKE-UHFFFAOYSA-N 370.405 3.695 0 1 FHAF COc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)cc(OC)c1O 587785994 QUYPUGQRADKIQC-UHFFFAOYSA-N 367.174 3.854 0 1 FHAF CCOC(=O)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800726 YNWDNTQFDFUNSB-QFYYESIMSA-N 358.251 3.681 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(C2CC2)N1 587824910 BDERMTCMBIRSGT-XXFAHNHDSA-N 356.235 3.593 0 1 FHAF COc1cccc(C(=O)c2ccc(-c3nc4c(OC)nccc4[nH]3)cc2)c1 587929454 AXSNRILGMBOGBD-UHFFFAOYSA-N 359.385 3.873 0 1 FHAF CC(C)(C)Cn1nnc2c1CC[C@@H](c1nc(-c3ccc(F)cc3)no1)C2 653751520 GVNGUSBOTCULBO-CYBMUJFWSA-N 355.417 3.786 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cccn2-c2ccc(Cl)cc2)N1 962905208 YTUFNPVMLLYUQA-QFBILLFUSA-N 370.811 3.958 0 1 FHAF COc1cc(Cc2ccc3c(N)c(OC)ccc3c2O)cc(OC)c1OC 1857561986 XAAWNAIVKBOLBZ-UHFFFAOYSA-N 369.417 3.753 0 1 FHAF Cc1cc(C)c(CNc2nc(Cl)nc3c2ncn3C2CCCC2)c(O)n1 1857599415 VMSREYOIYAEIBH-UHFFFAOYSA-N 372.860 3.924 0 1 FHAF CCCCC=CC=CCCCC=CC=C[C@@H]1C[C@H](O)[C@H](N)CN1C(C)=O 2356409469 KCFQJQRGGYHYSG-VSKRKVRLSA-N 360.542 3.881 0 1 FHAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)NC1CCCCC1)C2 2356550881 MKFIOOJNCXIZTL-QGZVFWFLSA-N 357.454 3.568 0 1 FHAF O=C(Nc1cccc(Cl)c1)c1nc[nH]c1C(=O)Nc1ccccc1F 61922188 SVTRMZRADGKGCQ-UHFFFAOYSA-N 358.760 3.707 0 3 FHAF COc1ccc(-c2cnc3c(NC=O)cc(-c4ccoc4)cn23)cc1OC 61926227 QIJHFMMQWAIRNH-UHFFFAOYSA-N 363.373 3.847 0 3 FHAF Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)[C@H]3CCCO3)cc12 3894498 KUJPFIKQFDLBJD-LJQANCHMSA-N 353.466 3.897 0 1 FHAF CC(=O)NCCNc1ncnc2ccc(-c3ccccc3C(F)(F)F)cc12 4265070 YMLRNFFNEOHKFO-UHFFFAOYSA-N 374.366 3.864 0 1 FHAF CN1[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1[C@H](O)C2 13643540 NRKFYDQWSIYFGJ-VNTMZGSJSA-N 359.416 3.667 0 1 FHAF Cc1ncc2c(c1-c1noc(-c3ccc(O)cc3)n1)CCN(CC1CC1)C2 23128620 OJPGLPHKKJCFMH-UHFFFAOYSA-N 362.433 3.581 0 1 FHAF CCCCC[C@@H](O)[C@H]1C(=O)c2c(cc3cc(O)cc(O)c3c2O)C[C@H]1C 28370180 MSQJTIQOPPIFHO-JGFGOQIWSA-N 358.434 3.889 0 1 FHAF Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12 38252535 SFQQUBOFNDDLMP-UHFFFAOYSA-N 370.840 3.741 0 1 FHAF O=C1NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Cl)cc23)N1 45354656 ALJSRVPAYLNXQX-PXNMLYILSA-N 351.793 3.523 0 1 FHAF Cc1ccc2ccn(S(=O)(=O)c3ccc(Br)cc3)c2c1 49036856 MZPLTPZRNDFVAJ-UHFFFAOYSA-N 350.237 3.949 0 1 FHAF CCCCCNc1ncnc2c1nc(CCC)n2CC[C@H]1CCCN1C 82186861 JFRXFTTWOWEKOW-MRXNPFEDSA-N 358.534 3.865 0 1 FHAF CCCCCn1cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c(=O)c2c(C)nn(C)c21 101658377 SGCIQRTVVCWDMN-KOMQPUFPSA-N 372.513 3.542 0 1 FHAF O=Cc1cccc(OCCCN2CCN(Cc3ccccc3Cl)CC2)c1 103197247 DVATWMFLFZYDEU-UHFFFAOYSA-N 372.896 3.739 0 1 FHAF OCC1(NCc2ccnc(-c3ccc(C(F)(F)F)cc3)n2)CCCC1 204414117 YUTQORAKGXUAAO-UHFFFAOYSA-N 351.372 3.557 0 1 FHAF Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2cc(Cl)cc(C#N)c2)CC1=O 205761802 QEOROPIBUXOAHI-HNNXBMFYSA-N 367.836 3.820 0 1 FHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 221729450 IHPZTIFVUUEGSN-CYBMUJFWSA-N 351.406 3.585 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 586893979 XCDJJRPDFYREAK-VLIAUNLRSA-N 352.434 3.814 0 1 FHAF Clc1c(-c2nc3cc4c(cc3[nH]2)OCO4)ccnc1Br 587008534 XYZJFKDZJZOCOG-UHFFFAOYSA-N 352.575 3.770 0 1 FHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587080288 OMIQCNJZDOCDNU-CYBMUJFWSA-N 372.787 3.777 0 1 FHAF Clc1cc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2cn1 587085302 ROSOJTRELXTBEV-UHFFFAOYSA-N 360.602 3.936 0 1 FHAF CCOc1ccccc1[C@](N)(c1nc2ccnc(Cl)c2[nH]1)C(F)(F)F 587091085 BATZWTASPDEOBK-HNNXBMFYSA-N 370.762 3.775 0 1 FHAF CS(=O)(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587108783 VSMKVOMDKOHCGK-UHFFFAOYSA-N 354.353 3.576 0 1 FHAF CC(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587124063 LANBQIKNZXIANJ-CLAHSXSESA-N 363.343 3.937 0 1 FHAF CC(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587124067 LANBQIKNZXIANJ-RTHLEPHNSA-N 363.343 3.937 0 1 FHAF Fc1ccc2[nH]cc(Cc3nc4ccc(CN5CCOCC5)cc4[nH]3)c2c1 587175194 SBNKCAXJFQXVML-UHFFFAOYSA-N 364.424 3.606 0 1 FHAF Nc1ccccc1-c1ccc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1 587248665 APFFMELKNGTEKN-UHFFFAOYSA-N 365.414 3.726 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Cc3ccccc32)[C@H]1c1ccc(F)cc1 587355852 XCMDTDVVLIMSCC-GMAHTHKFSA-N 374.367 3.911 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CCN(C(=O)OC(C)(C)C)C1)O2 587395847 OTAUHWGCRBDVJG-RBZFPXEDSA-N 360.454 3.558 0 1 FHAF CCSc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 587408453 GPQDGWPDMSEJFB-IBGZPJMESA-N 354.431 3.502 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4nc(C)cc4C)cc1)[C@@H](C2)C3=O 587430895 HVVNCVLCNXOQRY-AVRDEDQJSA-N 360.413 3.986 0 1 FHAF CCc1ccc([C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587446636 CTIBNCHVZLYOFO-VGSWGCGISA-N 366.413 3.765 0 1 FHAF O=C(O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587530820 HRNCSHWGZAAOJE-QFIPXVFZSA-N 362.381 3.787 0 1 FHAF CCOC(=O)[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592570 AHRSOPOHIXRYRJ-UWJYYQICSA-N 370.401 3.702 0 1 FHAF CCn1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587768109 ZYHHMSRBFJYPEK-MGPLVRAMSA-N 352.251 3.602 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](CC(=O)O)C2)N1 587829109 QORSVCZQGLAMGK-XIZWVBILSA-N 356.235 3.593 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NC1CCCC1 587869574 MPJLDXOQUIMVNQ-UHFFFAOYSA-N 370.400 3.638 0 1 FHAF CNc1nc2ccccc2n2c(-c3c(OC)cc(OC)cc3OC)cnc12 653747424 OENXEXIETUMPTF-UHFFFAOYSA-N 364.405 3.617 0 1 FHAF COc1ccc([C@@H]2C[C@@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1OC 1772581478 IDFMMLAQDBJEIN-IUDPQDPDSA-N 366.429 3.598 0 1 FHAF CC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2cn1)c1ccc(Cl)cc1 1772650623 ZNLKJQKSPJQTAI-CYBMUJFWSA-N 359.817 3.893 0 1 FHAF COc1ccc(C(=O)Nc2cnc(O)c(-c3cccc(C)c3)c2)c(O)c1 1857746203 QLQQKSJDVBYZMG-UHFFFAOYSA-N 350.374 3.729 0 1 FHAF Cc1cc(C)cc(NC(=O)N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 1911581458 YVYYDJFYJRAISH-OAQYLSRUSA-N 355.482 3.702 0 1 FHAF C[C@]1(COC(=O)CCC(=O)O)CCC[C@]2(C)c3ccc(O)cc3CC[C@@H]12 2356629274 XYBRCNMVXPANFE-IOMROCGXSA-N 360.450 3.811 0 1 FHAF COc1ccc(C(=O)c2coc(-c3ccccc3C(=O)O)c2C(=O)O)cc1 8684322 KPJYADJFIOTXCR-UHFFFAOYSA-N 366.325 3.583 0 3 FHAF COc1ccc2sc3c(c2c1)N(Cc1cccc(C)c1)CCNC3=O 3647224 ORLUSGXYPOMNIV-UHFFFAOYSA-N 352.459 3.968 0 1 FHAF Cn1cc(NC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc2c1=O 6899558 OBANGUWNSNKTOB-IBGZPJMESA-N 362.433 3.693 0 1 FHAF COc1ccc(C(=O)Nc2nc(-c3ccccn3)nc3ccccc23)cc1 13781365 TTYULORVZLXLQA-UHFFFAOYSA-N 356.385 3.953 0 1 FHAF in-vitro CCN(CCOC)c1nc(C)nc(N(CC)c2c(C)cc(C)cc2C)n1 13794560 GFWATLWMLXXOAE-UHFFFAOYSA-N 357.502 3.736 0 1 FHAF CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc12 14762748 KIZVKNPTBJVGLX-UHFFFAOYSA-N 354.358 3.791 0 1 FHAF biogenic CNC(=O)c1ccc([C@H]2CCCN2C/C=C/c2ccccc2OC)s1 23367575 BFPZKHQOAZDSBE-CDVVCGDMSA-N 356.491 3.967 0 1 FHAF O=C(N[C@@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 26490450 DDZQMBOZIXTELH-RXXSEBCPSA-N 370.512 3.775 0 1 FHAF C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28105162 BBNWIEGTGHCCOP-SUGHYIJHSA-N 358.265 3.929 0 1 FHAF COc1ccc2nc(Nc3nc(=O)c4c(C)cc(C)cc4[nH]3)nc(C)c2c1 40897379 DYLAIPCSPGEVSW-UHFFFAOYSA-N 361.405 3.544 0 1 FHAF CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N(C)[C@H]2CO 95566311 SFMKYQRQRSGMSM-XJABCFGWSA-N 368.452 3.603 0 1 FHAF Cc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)cc1 96175130 ACTCFROLKGYJMD-KDOFPFPSSA-N 366.486 3.669 0 1 FHAF CCN(C(=O)c1ccccc1OCc1ccccc1)[C@H]1CCC[C@@H](N)C1 96940038 FXOYOOYJFZTVMN-MOPGFXCFSA-N 352.478 3.998 0 1 FHAF COC(C)(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1 115623995 ZFKYDENIMPSYEW-UHFFFAOYSA-N 366.465 3.697 0 1 FHAF C=CCNC(=O)CSC1=CC(=O)C[C@H](c2ccc(Cl)cc2)S1 137326444 TUYAUXXTYKLREV-CQSZACIVSA-N 353.896 3.964 0 1 FHAF CC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc4ncccc4c3)C2)cc1 149629448 CDPBPHVDEVGRIS-MRXNPFEDSA-N 359.473 3.906 0 1 FHAF C[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3 223659279 LJQSYJGRLXLEDN-GFCCVEGCSA-N 353.495 3.781 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586917181 RERODFGZNHYXSE-WNYOCNMUSA-N 364.405 3.503 0 1 FHAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)c(Cl)cc2[nH]1 586961445 JCQCHPKPLJDVPD-YFKPBYRVSA-N 356.238 3.801 0 1 FHAF Brc1c(OCc2nc3cncnc3[nH]2)ccc2ccccc12 587002536 WCNAUAZFVYIOAN-UHFFFAOYSA-N 355.195 3.848 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120915 ZPKUHMLXQLASRP-ZDUSSCGKSA-N 360.299 3.849 0 1 FHAF Cc1c(Br)cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2c1C 587249536 NSLYSWLRIZAJIP-UHFFFAOYSA-N 360.211 3.890 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4cccc(F)c4)no1)[C@@H](C2)C3=O 587426502 CWGUMQCOBPMTOU-VBKZILBWSA-N 351.333 3.978 0 1 FHAF CC1(C)Cc2nc[nH]c(=N)c2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587509759 IWQFMXOWGVTISO-JOCHJYFZSA-N 363.461 3.601 0 1 FHAF O=C1C[C@@](c2ccccn2)([C@@H]2CCCNC2)Oc2c1ccc1c2CCCC1 587523285 HVLODCRMELMPTO-HXOBKFHXSA-N 362.473 3.821 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2cc[nH]c2c1 587591005 UAKRNWRXEHHQIZ-RXVVDRJESA-N 358.353 3.971 0 1 FHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccncc1 587623559 JJANPQHUEXCJML-UHFFFAOYSA-N 355.195 3.741 0 1 FHAF CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cccc(Cl)c1 587637527 BRDQHKVZXVGWNV-UHFFFAOYSA-N 371.776 3.927 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(N)c32)N1 587744597 HNQZZSVXLVLMHL-XTZNXHDOSA-N 361.258 3.894 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C3CC3)CC2)N1 587766311 GJHGYOOIZVGFCC-NSHDSACASA-N 353.279 3.576 0 1 FHAF CCCN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587768171 LBHQBVRCHYMOKV-LBPRGKRZSA-N 355.295 3.824 0 1 FHAF Cc1noc(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793786 KZUUKRLPRVAMLC-PWJLMRLQSA-N 353.235 3.991 0 1 FHAF COc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587851876 DAIXGOCJWKKOLO-FUXBKTLASA-N 357.248 3.677 0 1 FHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587938039 SDOJENVZSPSMIV-OTYXRUKQSA-N 351.328 3.822 0 1 FHAF COc1ccc(CO)cc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772608512 CJBKKHMAHRHMCY-QGZVFWFLSA-N 369.442 3.918 0 1 FHAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1cc(O)cc(O)c1)O2 1857651594 GWRHEGZWDJTHEA-KRWDZBQOSA-N 356.374 3.724 0 1 FHAF C[C@]12C[C@@H]3OC(=O)[C@]4(C)CCC[C@@](C)([C@@H]1CC[C@](C)(C=CC(=O)O)O2)[C@H]34 2356493141 KBJSYEBTIXTTDP-RCLAUHENSA-N 362.466 3.713 0 1 FHAF Cc1ccccc1C(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 74378303 JCQAJKFLYWCXSS-CZUORRHYSA-N 358.800 3.663 0 3 FHAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 4041409 OMSVTEYNWPVZRD-FPOVZHCZSA-N 365.477 3.761 0 1 FHAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4049897 SGZCOJXRSHIJTE-ICSRJNTNSA-N 352.434 3.703 0 1 FHAF CCc1c(Oc2cc(C)cc(C)c2)n(CCC2CC=CC2)c(=O)[nH]c1=O 6424892 ODSMOIIQCHGBJY-UHFFFAOYSA-N 354.450 3.864 0 1 FHAF c1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)ccn1 114772269 CLWMUUVKZLAWFR-UHFFFAOYSA-N 373.416 3.640 0 1 FHAF Nc1ccccc1NC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101412188 WUAYOXQACKJBIX-UHFFFAOYSA-N 371.396 3.531 0 1 FHAF Fc1ccccc1Cn1nnc2c(NC3CC3)nc(-c3ccccc3)nc21 28643089 ZXSXJKBCZPZPRC-UHFFFAOYSA-N 360.396 3.650 0 1 FHAF Cc1noc(C)c1C(=O)Nc1ccc(N2CC[C@@H](N3CCC[C@@H]3C)C2)cc1 59263172 QRBMQEJZPMHHQG-IFXJQAMLSA-N 368.481 3.607 0 1 FHAF CC(C)(C)OC(=O)N1O[C@H]2C[C@H]1[C@@H]1[C@H]2N=NN1C12CC3CC(CC(C3)C1)C2 2356322345 SGSWOUZDWXBBJQ-VYOAVOMBSA-N 374.485 3.698 0 1 FHAF COc1ccc2c(c1)c(CCNC(C)=O)cn2-c1c[nH]nc1-c1ccccc1 64559509 ZAWVRCVLALJQIS-UHFFFAOYSA-N 374.444 3.708 0 1 FHAF CCc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1 29315739 KBTZNTKGFHORAG-UHFFFAOYSA-N 352.431 3.738 0 1 FHAF COc1ccc([C@](C)(O)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 61906501 XBYURPQPPHTRPV-IBGZPJMESA-N 355.415 3.803 0 3 FHAF COC(=O)C[C@H](C)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@H](O)[C@]2(C)O 2356553248 SIPUAJNOWFIDSZ-GJDYGTDVSA-N 354.531 3.930 0 1 FHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc2[nH]ccc2c1 117588827 VZEQTTPDSBPACW-UHFFFAOYSA-N 364.449 3.679 0 1 FHAF COc1ccc2c(c1OC)CN(C)[C@H]1c3cc4c(cc3C=C[C@H]21)OCO4 2356845557 OGDCDPWBKHUIEV-JLTOFOAXSA-N 351.402 3.730 0 1 FHAF O=C(Nc1ccccc1)c1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O 35017477 WUGZVKFZFAGOLI-UHFFFAOYSA-N 371.396 3.586 0 1 FHAF COc1cc2c(c3c1C[C@H](O)[C@H](c1ccc(O)cc1)O3)CCC(C)(C)O2 14723952 SCBLRKVGVKFQKS-LPHOPBHVSA-N 356.418 3.542 0 1 FHAF biogenic CC(C)(C)c1cnc(CSc2cnc(NC3CCNCC3)s2)o1 40379028 JQERPJPPYOGLLF-UHFFFAOYSA-N 352.529 3.885 0 1 FHAF NC(=S)N1N=C(c2cccc(Br)c2)C[C@@H]1c1ccccc1 45498097 SOXWCTNNGLPKDC-OAHLLOKOSA-N 360.280 3.844 0 1 FHAF NC(=O)N1C(=O)[C@@H](C(=O)c2cc(Cl)cs2)c2cc(F)c(Cl)cc21 136222668 TVBUSVDXSSKDSK-LLVKDONJSA-N 373.192 3.586 0 1 FHAF COc1c(O)cc2c(c1OC)-c1c(O)c(C)cc3c1[C@H](CC2)N(C)CC3 238767272 DDXHVVWNQKETMA-AWEZNQCLSA-N 355.434 3.566 0 1 FHAF CCN(C(=O)c1ccccc1OCc1ccccc1)[C@@H]1CCC[C@@H](N)C1 96940041 FXOYOOYJFZTVMN-RTBURBONSA-N 352.478 3.998 0 1 FHAF C[C@@H](O)c1cc(-c2cnn(C)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 144904818 RCDOJXLKUQYEEJ-WYRIXSBYSA-N 374.362 3.919 0 1 FHAF CCOc1ccccc1[C@](N)(c1nc2cccc(F)c2[nH]1)C(F)(F)F 587092872 OFXWWDKVEFGQPM-INIZCTEOSA-N 353.319 3.865 0 1 FHAF CCOC(=O)C[C@]1(c2cccc(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587385622 UKLZTROYARCAJY-FQEVSTJZSA-N 357.381 3.530 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)ccc(OC)c1N)CC2=O 587473482 VZWOJOKPPXBUKE-KRWDZBQOSA-N 357.406 3.651 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@H](C2)N3C)N1 587773133 JGHFXYIABGSMET-AKENFEQQSA-N 353.279 3.574 0 1 FHAF O=C(c1nc2cc(CCO)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133619 WMJZGPWMAMBCEV-UHFFFAOYSA-N 353.180 3.775 0 1 FHAF COc1cc(/C=C/c2nc3ccc(CO)cc3[nH]2)ccc1Br 586977935 WBILWKMDRDFMBG-QPJJXVBHSA-N 359.223 3.997 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ccnn12 587585688 GUYRUGCUOFTDNU-NQIIRXRSSA-N 358.353 3.743 0 1 FHAF CCCn1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587761393 BAGJHCQEBUGQLZ-GTNSWQLSSA-N 366.278 3.992 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccnc(OC)c13)CC2=O 587479912 DHUSAVZCQCGNEY-KRWDZBQOSA-N 352.390 3.936 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CC3(CC3)C2)N1 587819262 UUYRBYORPVAWBG-DYZYQPBXSA-N 352.247 3.851 0 1 FHAF Clc1nc(-c2nc3nc(Br)c[nH]c-3n2)cc2ccccc12 587085902 NENXJQRBRVCMBL-UHFFFAOYSA-N 360.602 3.936 0 1 FHAF CC1=C(c2ccc3nc([C@@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)NNC(=O)C1 587162591 JPJRNBBFWVKQIR-HZPDHXFCSA-N 362.408 3.729 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn2ccccc12 587589491 XBUCJLHSROKZTP-GHTZIAJQSA-N 358.353 3.743 0 1 FHAF Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587510815 YSNRUAVBHMQUOZ-CYBMUJFWSA-N 366.339 3.730 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C)c2C(F)F)N1 587714002 DSNXZBMFIIJXNK-FUXBKTLASA-N 374.204 3.883 0 1 FHAF FC(F)Oc1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 587130772 QFCJBOVUQXLQEW-UHFFFAOYSA-N 359.376 3.664 0 1 FHAF CCn1nc(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587762930 HEZOYLXPVGIJLC-JDNHERCYSA-N 352.251 3.737 0 1 FHAF C[C@@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587648971 FMZBGWOTOOZGKS-SNVBAGLBSA-N 361.394 3.566 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC)c(OC)cc2[nH]1 586915529 FNXZSSBAPCQZAQ-SPLOXXLWSA-N 366.417 3.797 0 1 FHAF N=c1[nH]ccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541041 DDGUHQMQWNLKLO-QAPCUYQASA-N 368.776 3.556 0 1 FHAF COc1ccc(C)cc1NCCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 587228542 DYTINJHVKXLTMJ-UHFFFAOYSA-N 351.410 3.507 0 1 FHAF COc1ccc2c(c1)[C@H](c1cc(C)ccc1OCC(=O)O)N(C(C)C)CC2 962087251 DEDXCNDTKSWKMU-JOCHJYFZSA-N 369.461 3.823 0 1 FHAF Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21NCCc2c(C(=O)O)cccc21 963135057 WCXGLNVGNNPDBI-DEOSSOPVSA-N 369.420 3.675 0 1 FHAF CCOC(=O)[C@]1(CC(=O)C2CC2)NCCc2cc(-c3ccccc3)ccc21 962669868 SVLCWCUNPQNPJF-HSZRJFAPSA-N 363.457 3.627 0 1 FHAF CCCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(C34C[C@@H]5CC3C[C@@H](C5)C4)nc21 12405441 KWTCMZRWMFFRBW-NFIMNEETSA-N 367.497 3.678 0 1 FHAF O=C(NC[C@@H]1CCCC[C@H]1O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 164763680 QHMPZGVDGYHAHX-HNAYVOBHSA-N 367.424 3.650 0 1 FHAF COc1ncc(N2CCc3ncnc(Nc4cccc(C)c4)c3C2)cc1C 1857597876 KYZSXHONWRKQKK-UHFFFAOYSA-N 361.449 3.803 0 1 FHAF CSc1nc(-c2ccc(F)cc2)nc2c1Cc1c(CO)cnc(C)c1O2 4193540 KZINNWHDNGKPHC-UHFFFAOYSA-N 369.421 3.897 0 1 FHAF Cc1ccc(CO)cc1Nc1ncnc2onc(-c3ccc(F)cc3)c12 8591235 GKNDWLAQKUPEDY-UHFFFAOYSA-N 350.353 3.968 0 1 FHAF Cc1ncc(CN2CC[C@]3(CCCN(CCCc4ccccc4)C3)C2)cn1 12475055 UYCRSSBMNIPBOC-QHCPKHFHSA-N 364.537 3.706 0 1 FHAF C[C@H](NC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21)c1ccccc1 13585227 GDJCEUYIQJRPFO-QOKNQOGYSA-N 352.434 3.921 0 1 FHAF I/C=C/CN1CCC[C@H]2Cc3ccccc3C[C@@H]21 13781533 DBFOJAKARGTRKY-FXEMMDDYSA-N 353.247 3.815 0 1 FHAF C[C@@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(C(F)(F)F)=NN1 28710424 XEXAEFSDTXTJCE-NSHDSACASA-N 373.684 3.968 0 1 FHAF CC(C)CCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1 28825036 FYVOABSNOLJXJQ-UHFFFAOYSA-N 353.466 3.767 0 1 FHAF CCC[C@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 40408647 MDAUINVHTWWWPZ-NSHDSACASA-N 354.458 3.721 0 1 FHAF COC(=O)C=C1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]12C 61894853 MVLYYRYIEZOWIZ-HFQQBTNDSA-N 356.462 3.797 0 1 FHAF biogenic O=c1ccoc2cc(OCc3cn(Cc4ccccc4Cl)nn3)ccc12 84725979 MFTXOTYDDOWRSV-UHFFFAOYSA-N 367.792 3.665 0 1 FHAF CCCC[C@@H](CC)CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 95574071 BJSSATMJOLCJJW-CYBMUJFWSA-N 367.457 3.899 0 1 FHAF NC(=O)c1cc(-c2ccccc2)cc2c1[nH]c1cc(N3CCOCC3)ccc12 113205298 BYVPYKQVELSVBA-UHFFFAOYSA-N 371.440 3.924 0 1 FHAF COc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)[C@@H](O)C2=O 157082871 KYQFKDZILDYMMX-VQTJNVASSA-N 354.402 3.587 0 1 FHAF CCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169323533 BQWMLHMOZSVPKK-VZMCSVCESA-N 360.542 3.602 0 1 FHAF COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)OC=O 238739884 JOEMUKDFVFJYNY-OBJCFNGXSA-N 364.482 3.946 0 1 FHAF COc1ccc(/C=C/c2nc3cc(Br)ccc3[nH]c2=O)cc1 473105909 TZMCBOAKUMMEHZ-XBXARRHUSA-N 357.207 3.865 0 1 FHAF COC(=O)c1cccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c12 587026428 FEIJFEBVRAZFRA-UHFFFAOYSA-N 353.403 3.965 0 1 FHAF N=c1cc[nH]cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587249982 VMTMBSOEVCZNML-UHFFFAOYSA-N 357.133 3.819 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(C[C@H]3CCCO3)c1C)O2 587389911 NUSOKLNOGIBURR-FOIQADDNSA-N 354.450 3.881 0 1 FHAF CCCC[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599139 WAYMDPIZTFKJBA-UTKZUKDTSA-N 370.401 3.846 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(F)ccc2F)N1 587739047 SNSXPUGJANLJFY-MLXNANBUSA-N 357.173 3.885 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3nccnc23)N1 587789819 ASGXYOKKVYLIGN-VFZGTOFNSA-N 373.229 3.550 0 1 FHAF CC(=O)C[C@@]1(c2ccco2)N[C@H](C)Cc2ccc(F)c(Br)c21 587825591 BATXVRPLJSQROQ-QGHHPUGFSA-N 366.230 3.938 0 1 FHAF COC(=O)c1cccc([C@]2(C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1 962619829 HFMURLKTTRSFDT-JLCFBVMHSA-N 369.461 3.630 0 1 FHAF COc1cccc2cc3c(nc12)[C@@]1(CCc2cc4c(cc21)OCC4)NCC3 963047359 OHAPFHPKXCVBJK-QHCPKHFHSA-N 358.441 3.514 0 1 FHAF O=C(O)c1cccc2c1CCN[C@@H]2c1cnn(Cc2ccccc2Cl)c1 963126720 XFROXNOFOQBBJT-LJQANCHMSA-N 367.836 3.518 0 1 FHAF COc1cc2c(cc1OC)[C@](C)(c1cccc(C)c1)NCC21CCOCC1 963195725 VRSMCFXKAAVLDQ-QFIPXVFZSA-N 367.489 3.927 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(=O)OCC)c1cccn1C 963242975 QUUYOBYWNRBKGE-VGSWGCGISA-N 354.494 3.879 0 1 FHAF c1ccc(CN2CC[C@H](NCCN3CCC[C@H](c4ccccc4)C3)C2)cc1 1857601477 CCYAENBYIJKXJM-ZEQRLZLVSA-N 363.549 3.730 0 1 FHAF Cc1ccc(C2=C(c3ccc(Br)cc3)C(=O)O[C@H]2CO)cc1 1857770403 QHGCEYUQDUSLBE-HNNXBMFYSA-N 359.219 3.586 0 1 FHAF CN1[C@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1cccc(O)c1 2356329411 DPEDTDJRBRBGNW-CNNODRBYSA-N 353.462 3.942 0 1 FHAF CCCCC[C@H](O)C=C[C@H]1O[C@H]2C[C@@H](O2)[C@@H]1CC=CCCCC(=O)O 2356342029 DSNBHJFQCNUKMA-VAVNGKDRSA-N 352.471 3.815 0 1 FHAF CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)CCc2cccnc2)C1 13596419 UZMRBFBOASQZLA-QGZVFWFLSA-N 368.502 3.858 0 3 FHAF CCCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)ccc2c1 103252528 KSJNHTUTVGNBNA-UHFFFAOYSA-N 366.465 3.928 0 1 FHAF C[C@@H]1C(=O)C[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C 29216760 XVYFFIJITDUPCR-SBGJMSNXSA-N 353.506 3.922 0 1 FHAF Clc1ccc2c(c1)CN(CCN1COc3ccc(Cl)cc3C1)CO2 38495144 OSRUIUKSCUMIKE-UHFFFAOYSA-N 365.260 3.997 0 1 FHAF Cc1nc2ccccc2n1-c1ccc(C(=O)N[C@@H]2CCN(C(C)C)C2)cc1 72124693 CAEPBANEFIQOIS-GOSISDBHSA-N 362.477 3.546 0 1 FHAF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@]32O)C1 3846828 JQRLVXRTTRZQBF-GQTOWYCZSA-N 350.499 3.702 0 1 FHAF biogenic CCOC(=O)[C@H]1CCCCN1Cc1coc(-c2cccc(OCC)c2)n1 72100943 WFRIXMYKAOOTIO-GOSISDBHSA-N 358.438 3.658 0 1 FHAF O=C(N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1ccccc1 199358060 YAQJYIXLCXAEAW-SFHVURJKSA-N 356.853 3.651 0 3 FHAF COCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1cccc(C)c1 82147274 VNZRWDHALLFJTQ-UHFFFAOYSA-N 368.481 3.573 0 1 FHAF COCCn1c(-c2ccccc2)nc2c(NCc3cccs3)ncnc21 82189985 OOFWXKNDNANQOI-UHFFFAOYSA-N 365.462 3.813 0 1 FHAF O=C(O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005406 VLPSLGSDTRMGLK-UHFFFAOYSA-N 352.575 3.739 0 1 FHAF CCn1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587739811 VWSDFLMJLDKPHT-RMLUDKJBSA-N 356.214 3.567 0 1 FHAF COc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587730711 XSXKHNUEHHDKCH-ANRSDYALSA-N 369.209 3.755 0 1 FHAF CCCOc1c(OC)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440797 IFIVQFTVDSWIFP-QRWLVFNGSA-N 354.402 3.981 0 1 FHAF COc1c(F)cc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1F 587134199 BGRGOYHQFDCREO-UHFFFAOYSA-N 358.117 3.813 0 1 FHAF O=C1C[C@H](c2ccnc(N3CCOCC3)c2)Oc2c1ccc1c2CCCC1 587518609 MDXYLWFIEBYXSU-HXUWFJFHSA-N 364.445 3.504 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)c(Cl)c1)O2 587372848 AWGPDFSMEZGIRP-LJQANCHMSA-N 372.852 3.774 0 1 FHAF Ic1cncc(-c2nc3ccc4ncccc4c3[nH]2)c1 587185018 OWFWVAYOCXNGBY-UHFFFAOYSA-N 372.169 3.778 0 1 FHAF C[C@@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)n1cc(Cl)cn1 587081590 CUXCERLRVFZKNA-JTQLQIEISA-N 352.829 3.854 0 1 FHAF CCC[C@@]1(C2CCNCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595406 NLAUAUZEKKMZEV-KNQAVFIVSA-N 367.445 3.892 0 1 FHAF COC(=O)Cc1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 587783126 GGMUQXGYRSNKNP-UHFFFAOYSA-N 363.186 3.847 0 1 FHAF COc1ccc2c(C)c(CCc3nc4cncc(C)c4[nH]3)c(=O)oc2c1C 586919290 ZFJIHPSNGYQPRV-UHFFFAOYSA-N 363.417 3.783 0 1 FHAF Cc1cccc([C@@]2(c3cccc(F)c3)NCCc3nc4ccccn4c32)n1 962986433 UBBHYFUFRSFWCG-JOCHJYFZSA-N 358.420 3.614 0 1 FHAF COc1ccc([C@]2(C(F)(F)F)NCCc3c2c(C(C)C)nn3C)cc1 962915253 UXDOYZHNCDBMPT-KRWDZBQOSA-N 353.388 3.504 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@]31CCCC[C@@H]1C(=O)C(C)C 963035243 MXHVKYZSMORZLS-VGSWGCGISA-N 352.478 4.000 0 1 FHAF CCN(Cc1ccncc1)C(=O)CCc1nnc(CCC2CCCCC2)o1 13594492 MUFNDCKPBNBFGG-UHFFFAOYSA-N 370.497 3.959 0 3 FHAF Nc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12 13815905 RRBLHSDHBNSINM-UHFFFAOYSA-N 367.352 3.637 0 1 FHAF c1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1 15779192 HXZNBXRAEMVHRN-UHFFFAOYSA-N 360.417 3.507 0 1 FHAF COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2C)cc1F 1857553302 HKSWUTIGRVPFSH-UHFFFAOYSA-N 359.426 3.694 0 1 FHAF O=c1c2cc(-c3cncnc3)ccc2nc(O)n1CCC1CCCCC1 1857570764 DVBHIUQADMBEPP-UHFFFAOYSA-N 350.422 3.530 0 1 FHAF CC(=O)N1CC[C@H](Cn2c(-c3cc(C)c(O)c(C)c3)nc3ccccc32)C1 1857612515 WNXOUMUVGJPLBZ-KRWDZBQOSA-N 363.461 3.894 0 1 FHAF O=C(c1ccccc1)c1c(-c2ccccc2)n(-c2ccccc2)nc(O)c1=O 1663173 ZEZNXEJCMWBVFC-UHFFFAOYSA-N 368.392 3.836 0 1 FHAF CC[C@@H]1CNCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21 2047487 LVNMYQLXKMSQTG-CQSZACIVSA-N 372.472 3.973 0 1 FHAF Fc1ccc(N2CCN(CCC[C@@H]3CNc4ccccc4O3)CC2)cc1 13780756 ZXBRTUYPCQTATA-LJQANCHMSA-N 355.457 3.601 0 1 FHAF C[C@H]1OC2(C[C@H](OCc3ccccc3)[C@@H]1OCc1ccccc1)OCCO2 17256469 CYNNHJZSXYWLJA-JRGCBEDISA-N 370.445 3.667 0 1 FHAF O=c1[nH]c(-c2ccc(Cl)cc2)c(CN2CCN(c3ccccc3)CC2)o1 26377290 DXIGFCNFNIJASA-UHFFFAOYSA-N 369.852 3.611 0 1 FHAF COCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2cccs2)C[C@@H]1C 26727896 CUAPIPQGWMKVBV-PXNSSMCTSA-N 372.534 3.681 0 1 FHAF NC(=O)C1CCN(c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 36381441 QVQDHWLKYJJUKU-UHFFFAOYSA-N 355.385 3.531 0 1 FHAF O=C(C[C@@H]1CCCN1C(=O)c1cc2ccccc2cn1)OCc1ccccc1 71331048 WGKLEMVNQMELOV-FQEVSTJZSA-N 374.440 3.973 0 1 FHAF COc1cccc(CNc2cccn3nc(Nc4ccnc(C)c4)nc23)c1 96169897 VCRMGZNTSMXXAG-UHFFFAOYSA-N 360.421 3.797 0 1 FHAF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccc(N)s3)cc2)C[C@@H]2CC[C@H]1N2C 101008656 RHXJIBSDVXHTMJ-YIOZNXECSA-N 356.491 3.737 0 1 FHAF COc1ccc(-c2c3c(c(O)c4cc(OC)c(OC)cc24)COC3=O)cc1 103187904 CLVSHPNCLBCUAU-UHFFFAOYSA-N 366.369 3.909 0 1 FHAF CCOC(=O)Cc1csc2nc(-c3cc(Cl)cc(Cl)c3)nn12 103200786 FKMQVNROYMEDBI-UHFFFAOYSA-N 356.234 3.870 0 1 FHAF COC(=O)c1ccc2c(c1)CO[C@]2(CCCN(C)C)c1ccc(F)cc1 103245898 XGZYQVJFZBQTBE-OAQYLSRUSA-N 357.425 3.728 0 1 FHAF COc1cccc(CNC(=N)c2ccc(OC(F)(F)F)cc2)c1OC 103259109 KGLJGMGSMWAYIA-UHFFFAOYSA-N 354.328 3.718 0 1 FHAF O=C1c2ccccc2-c2cc(C3=CC=CN4C=CN[C@H]34)nc3ccc(O)c1c23 586990252 XFHUGPAZLZDLRT-QHCPKHFHSA-N 365.392 3.765 0 1 FHAF C[C@H]1CC2(Cc3c1nc1ccc(O)c4c1c3-c1ccccc1C4=O)OCCO2 586991992 RPCBWDIZRZTEGH-LBPRGKRZSA-N 373.408 3.945 0 1 FHAF Cc1ccnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 587018158 UYJACIUBCFGHAY-UHFFFAOYSA-N 364.430 3.752 0 1 FHAF Nc1ccc(C(=O)CCc2nc3ccc(F)c(Br)c3[nH]2)cc1 587251833 PDAVQIQNBIAOOK-UHFFFAOYSA-N 362.202 3.862 0 1 FHAF Nc1ncccc1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587254256 QGNKGBOEOFQPQR-UHFFFAOYSA-N 371.160 3.912 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccccc1C(=O)O)O2 587390701 NGEFOGQHYYHNRO-IBGZPJMESA-N 362.385 3.773 0 1 FHAF COc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)CC(=O)c2cc(C)cc(N)c2O1 587396055 JELHXXRHWGUYRK-JOCHJYFZSA-N 362.429 3.960 0 1 FHAF CCOC(=O)C[C@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441776 MHGJIKPOBRMODT-VGOFRKELSA-N 366.413 3.600 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)OCC(=O)N3)CC2=O 587485637 PTXSWSLMYVWLJZ-OAQYLSRUSA-N 367.401 3.556 0 1 FHAF COC(=O)C[C@]1(C2CC(F)(F)C2)CC(=O)c2ccc3c(c2O1)CCCC3 587504614 JRISPZKSHNXUIP-IBGZPJMESA-N 364.388 3.878 0 1 FHAF CC(C)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574535 XGEJCYAMAZTWCW-RPQHEVHQSA-N 353.418 3.824 0 1 FHAF CC(C)n1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587755906 BMQQHTINFBYRRV-MGPLVRAMSA-N 352.251 3.989 0 1 FHAF CCOc1ccc(O)n1C[C@H](c1cccc(Br)c1)N(C)C 587941714 VTSPZFUOCPORBP-CQSZACIVSA-N 353.260 3.658 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)N[C@H]3CCC[C@H]3c3ccccc3)ncc12 1772589808 UYUAJOOGROYKAK-HOCLYGCPSA-N 364.453 3.848 0 1 FHAF CN(Cc1ccccc1)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772597107 IJPGLPDYMZTIPO-UHFFFAOYSA-N 373.460 3.611 0 1 FHAF NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(OCC(=O)O)c1 1857568518 UVKQGHMFEJRCGK-UHFFFAOYSA-N 361.397 3.507 0 1 FHAF Cc1cccc2c(=O)c3c(oc12)N1C[C@@H]2CCCN4CCC[C@@H]([C@H]24)[C@H]1CC3 1857596921 OKHLQQDNBVPYFS-FIYPYCPBSA-N 364.489 3.727 0 1 FHAF CCCCCCN1C[C@H]2[C@@H](C1)[C@]2(CC)c1cccc(NS(C)(=O)=O)c1 102949384 UQSVQFROXHNXQA-PMOLBWCYSA-N 364.555 3.848 0 1 FHAF Fc1cccc([C@@H]2C=C(c3cccc(Br)c3)Nc3nnnn32)c1 102794531 MWHUSKBJYFRFMQ-HNNXBMFYSA-N 372.201 3.631 0 1 FHAF CCn1nc(C)c(NC(=O)CN2CC[C@@H](c3ccccc3Cl)C2)c1C 65396551 NAYZHRLUJSFXNT-OAHLLOKOSA-N 360.889 3.601 0 1 FHAF Cc1nnc(CNC2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)[nH]1 20601040 GXLLIQQWBSBGKA-UHFFFAOYSA-N 365.456 3.678 0 1 FHAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)C)nnc2c1 68119988 RTFCJDCBIBPWCR-UHFFFAOYSA-N 352.413 3.859 0 1 FHAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(N)=O)cc1 29557882 HSYJCVSKFIYZKH-UHFFFAOYSA-N 350.418 3.689 0 1 FHAF COc1ccc2nc(NCCCNC(=O)c3ccsc3)cc(C)c2c1 28950862 ZSIOKDWEJZGJHW-UHFFFAOYSA-N 355.463 3.845 0 1 FHAF CC(C)[C@@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 223660810 JPFPGRAGWIPYOT-HNNXBMFYSA-N 368.506 3.994 0 1 FHAF CCCCCOc1cc(C(=O)NCCc2ccc(O)cc2)ccc1OC 146798863 IERLRMLQFZKDGB-UHFFFAOYSA-N 357.450 3.942 0 1 FHAF Cc1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1 95573472 ATLRMJMTXFCOHV-UHFFFAOYSA-N 372.468 3.711 0 1 FHAF Brc1cccc2ccn(CCN3CCN4CCCC[C@H]4C3)c12 253635924 SKHCWOWFBIMWGC-INIZCTEOSA-N 362.315 3.574 0 1 FHAF N[C@H](Cc1nc2ccc(F)cc2[nH]1)c1ccc(Br)cc1F 587144671 PXVFTCASWXTNAW-GFCCVEGCSA-N 352.182 3.846 0 1 FHAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 587026677 WRLDWUOJCLKYST-YVMONPNESA-N 361.492 3.825 0 1 FHAF COC(=O)[C@@H]1CC(=O)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587099260 XMXMLSKILZIYIX-MRXNPFEDSA-N 371.392 3.527 0 1 FHAF O=C1CSc2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2N1 587043392 LCWSHEHQIWDBSJ-UHFFFAOYSA-N 361.329 3.596 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(SC)cc1OC)[C@@H](C2)C3=O 587452258 NSYLVMLYOTWOAN-RNODOKPDSA-N 372.442 3.923 0 1 FHAF Cc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1F 587193378 IQEVLAFBCYGOQJ-UHFFFAOYSA-N 355.413 3.530 0 1 FHAF CN1CCC[C@H]1CCn1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661900 SXDLWWCJORBQEO-KRWDZBQOSA-N 351.425 3.687 0 1 FHAF CC1=C(c2ccc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)NNC(=O)C1 586888701 LSTJQABTTKEQTM-GAJHUEQPSA-N 370.456 3.690 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)CN(Cc3ccccc3)C1)O2 587396903 WVIIASLRYOMNHH-ZHRRBRCNSA-N 350.462 3.823 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3nc(O)[nH]c3c1)CC2=O 587488264 ZFMVXGWYJKMUOR-HXUWFJFHSA-N 352.390 3.807 0 1 FHAF C=Cc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587591360 VLKYEQLYBKBCOM-UWJYYQICSA-N 362.385 3.944 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c[nH]nc1C 587867294 YTCFCSPEONATIU-UHFFFAOYSA-N 364.327 3.688 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](CC(=O)O)C2)N1 587825491 DTVSFBLIGFFAAO-XIZWVBILSA-N 356.235 3.593 0 1 FHAF COc1cncc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082615 UBFFWJNXLRVEGW-UHFFFAOYSA-N 355.785 3.520 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2N[C@@H]2c2ccccc2)N1 587790704 HRBABUTWTXTMJP-HBRCHAQXSA-N 361.258 3.877 0 1 FHAF Cc1c(F)ccc2c1[C@H](c1cc(-c3ccc4c(c3)OCO4)no1)NCC2 962294293 BNBLQIUZSKVNQB-FQEVSTJZSA-N 352.365 3.753 0 1 FHAF CO[C@]1(C)C[C@H]2N(C(=O)c3ccccc3)N=C(c3ccccc3)C[C@]2(C)O1 5811235 NLFKESWQOLYPFY-HJNYFJLDSA-N 364.445 3.847 0 1 FHAF O=C(Nc1cccc2c1C[C@H](O)C2)N[C@@H]1CC[C@@H](c2ccccc2F)C1 169704953 CWCHZORHHWEPPM-BZUAXINKSA-N 354.425 3.743 0 1 FHAF C[C@]1(C(=O)NCCc2ccc(F)cc2)CON=C1c1ccc(Cl)cc1 768638 XKHZUKXIJRESNH-IBGZPJMESA-N 360.816 3.579 0 1 FHAF CCOC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1 1855913 QOPDYDFKWLFWCS-UHFFFAOYSA-N 365.389 3.727 0 1 FHAF O=C(COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2)NCc1ccco1 2464923 DWJLRAWAYLQPCR-UHFFFAOYSA-N 369.417 3.643 0 1 FHAF CCSc1nnc(NC(=O)CCC(=O)O[C@H]2CC[C@H](C)[C@H](C)C2)s1 4349885 VMNYEIIOJLFNOI-TUAOUCFPSA-N 371.528 3.737 0 1 FHAF C[C@@]1(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1(Cl)Cl 103276355 XILIPBCAHGOCOD-LURJTMIESA-N 370.130 3.715 0 1 FHAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccccc2)O3)c1 61930777 BOZHLVLQIFZNEL-HXUWFJFHSA-N 373.412 3.649 0 3 FHAF COc1cc([C@H](c2ccc(OC)c(OC)c2)[C@@H](C)[C@@H](C)CO)ccc1O 2356391379 PURUHRMXNLKKNY-DGCWBMGLSA-N 360.450 3.814 0 1 FHAF C[C@H](NC(=O)Cc1ccccc1C(=O)O)c1ccccc1N1CCCCC1 27559715 GHWXTHOWXJARLR-INIZCTEOSA-N 366.461 3.795 0 1 FHAF CCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 29241895 IWMSLBVTFUJQQM-UHFFFAOYSA-N 367.352 3.818 0 1 FHAF O=C1Nc2ccccc2C(=O)N2C=C(c3ccc(Br)cc3)C[C@@H]12 28714153 GQXHIWZRPVSMTR-INIZCTEOSA-N 369.218 3.657 0 1 FHAF C[C@@H]1c2c(cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@H]1C(C)(C)O 2356626406 WZXFBJOAXYOUSH-CFMSYZGJSA-N 368.385 3.507 0 1 FHAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@H](C)C(=O)NC(C)(C)C)C2 4222635 JPSQRORSWLYHIK-FUHWJXTLSA-N 374.569 3.900 0 1 FHAF biogenic [O-][n+]1nc2c(-c3ccsc3)cnn2c2cc(-c3cccs3)ccc21 71281832 YSPXZHDOTAIYLI-UHFFFAOYSA-N 350.428 3.973 0 1 FHAF c1csc(CNc2ncnc3c2nc(C2CC2)n3C[C@@H]2CCCO2)c1 82178171 ZPGJJDPUIDGXAP-ZDUSSCGKSA-N 355.467 3.556 0 1 FHAF c1ccc(OCC2[C@H]3CN(Cc4nc5cccc6c5n4CCC6)C[C@@H]23)cc1 40917865 YNRYFNKQPSKVQR-YOFSQIOKSA-N 359.473 3.739 0 1 FHAF c1cc(-c2ccc(C3=NCCN3)cc2)cc(-c2ccc(C3=NCCN3)cc2)c1 96908139 OQUQWGWTDWZJOJ-UHFFFAOYSA-N 366.468 3.720 0 1 FHAF Cc1ccc(-n2cc(CC(=O)O)c3ccc(C)nc32)c(Cn2ccnc2C)c1 299821506 FRECLKUSNINBOF-UHFFFAOYSA-N 374.444 3.823 0 1 FHAF OCCOc1cccc(CN2CCC(c3c[nH]c4ccccc34)CC2)c1 473084091 QFZUEQKYBWXPGN-UHFFFAOYSA-N 350.462 3.919 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](COc1ccccc1Br)O2 587375500 DGEOGTOARNBEQR-LLVKDONJSA-N 362.223 3.753 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C=O)o4)o1)[C@@H](C2)C3=O 587455959 RKYMCWQXBGBIJG-RBZFPXEDSA-N 350.326 3.849 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(N)ccc32)N1 587743599 DTAHCWUFPFOOQV-XTZNXHDOSA-N 361.258 3.894 0 1 FHAF CCC(=O)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587443191 PHDIDFCBQXWPRO-SZNDQCEHSA-N 368.385 3.508 0 1 FHAF C[C@]1(c2ccnnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348799 SGXMFBLFKHQQHW-UYAOXDASSA-N 350.349 3.596 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)nc(N3CCCC3)c1)O2 587387780 WWWMMXATOVOSSN-HXUWFJFHSA-N 355.413 3.592 0 1 FHAF CCS(=O)(=O)c1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2c1 587028767 VYUHQXRIVHCVFX-UHFFFAOYSA-N 372.475 3.784 0 1 FHAF O=C(O)c1cccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005738 PSPHFJHXWCIKRU-UHFFFAOYSA-N 352.575 3.739 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587230645 WBATZOAWUBSRQK-GOSISDBHSA-N 358.405 3.961 0 1 FHAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1OC 587527033 UKSLNZVYOQZBCP-GOSISDBHSA-N 354.402 3.995 0 1 FHAF CCOC(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587042953 WNILZORULVSHOG-ZWKOTPCHSA-N 367.474 3.686 0 1 FHAF C[C@@H]1CN(C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347718 UPPNZMFDJFULLG-DYHNYNMBSA-N 355.409 3.601 0 1 FHAF CCOC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796980 LHVRRXRGBFHNQH-DYZYQPBXSA-N 370.262 3.681 0 1 FHAF Cc1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2n1 587019774 WCXVTRXKPSRCOR-UHFFFAOYSA-N 364.434 3.958 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(Br)cn1)CC2=O 587458991 MMGYOAMZNWJSTM-CQSZACIVSA-N 363.211 3.604 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(F)cc1F)[C@@H](C2)C3=O 587427226 QZYMRKSWOIFTBQ-RBZFPXEDSA-N 373.355 3.508 0 1 FHAF Cc1ccc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c(-c2cnn(C)c2)c1 963024365 MZITVOUTUABHPT-IQMFZBJNSA-N 372.472 3.538 0 1 FHAF CC[C@](C)(OC)[C@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963187039 SEMAQEQBNYJNHF-DGFSRKRXSA-N 365.779 3.814 0 1 FHAF COc1cc2c(cc1OC)[C@](C)(c1nc3c(s1)CCC3)N(C)[C@@H](C)C2 962618805 DWTGFOXDCNZBLK-FKIZINRSSA-N 358.507 3.789 0 1 FHAF COc1cc(C=O)c([C@@H](c2ccc(OC)c(OC)c2)[C@@H](C)C(C)=O)cc1O 14694290 KKCASOTYIFBECW-LAJNKCICSA-N 372.417 3.588 0 1 FHAF biogenic,in-vitro Cc1nn(C)c(C)c1-c1ccnc(N2CCOc3ccc(Cl)cc3C2)n1 19791427 USQUKWSPKNFKNQ-UHFFFAOYSA-N 369.856 3.546 0 1 FHAF COC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)[C@H](C)C3=O)cc2)cc1 169720250 CSQQEQOXNNJTCA-ASSNKEHSSA-N 368.454 3.920 0 1 FHAF O=C(c1cc(Cc2ccc(F)cc2)c(O)cc1O)N1Cc2ccccc2C1 1857745524 SDHXQALTNKXTMI-UHFFFAOYSA-N 363.388 3.984 0 1 FHAF Cc1ccc(Nc2sc(C(=O)c3ccccc3)c(N)c2C(N)=O)cc1 2962453 CNEBWDWIEPIIPY-UHFFFAOYSA-N 351.431 3.712 0 1 FHAF O=C(O)c1cc2c(cc1C[C@H](Cc1ccc3c(c1)CCC3)C(=O)O)CCC2 6513390 YAVADTCKKPLTJJ-FQEVSTJZSA-N 364.441 3.848 0 1 FHAF CC(=O)c1ccc(O[C@H]2[C@H](O)CO[C@@H]2/C=C/c2ccc(Cl)cc2)cc1 7992581 XEJQDFIMBZGRCD-BJBMRQBESA-N 358.821 3.763 0 1 FHAF CC1=C[C@H](CNCc2cccnc2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356318380 LGUDFBPLFTXUMY-XUVXKRRUSA-N 354.498 3.960 0 1 FHAF COP(=O)(OC)[C@H](OC(=O)COc1ccccc1F)c1cccs1 103190367 OLVIIMWWLYPCDO-HNNXBMFYSA-N 374.326 3.994 0 1 FHAF COC(=O)[C@H](C)NC(=O)CCCCCCCC=CCCCCCC(=O)O 2356334540 JHECJXSLIKXCBD-KRWDZBQOSA-N 369.502 3.986 0 1 FHAF O[C@]1(c2ccc(COc3ccccc3)cc2)c2ccccc2C2=NCCN21 27331007 LHBFVBJPICKOFB-HSZRJFAPSA-N 356.425 3.535 0 1 FHAF COc1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(N)c34)cc2)c1 29129486 YOAMEACSHDRMDD-UHFFFAOYSA-N 374.404 3.860 0 1 FHAF N[C@@H](CCSCc1ccc(C(F)(F)F)cc1C(F)(F)F)C(=O)O 28570385 IEUNOHAJZYRWTQ-JTQLQIEISA-N 361.307 3.759 0 1 FHAF CC(C)CNc1cc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29131968 BNTGOEPCMBIMOT-UHFFFAOYSA-N 373.400 3.634 0 1 FHAF C[C@@H]1c2c(cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@@H]1C(C)(C)O 2356626407 WZXFBJOAXYOUSH-SBKAZYGRSA-N 368.385 3.507 0 1 FHAF COc1cc(-c2cccc(C(=O)NC3CCCCC3)c2)cc(C=O)c1O 116439371 GSQHHLXIQFAXPR-UHFFFAOYSA-N 353.418 3.943 0 1 FHAF C[C@H]1Cc2cc(C=C[C@]34NC(=O)CN3c3ccccc3C4(C)C)ccc2O1 2356742437 TWCVOODGGUWAPC-WNSKOXEYSA-N 360.457 3.647 0 1 FHAF CC(C)[C@@H](c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1 66078202 VTRPJUPDZLHKFJ-NRFANRHFSA-N 351.498 3.896 0 1 FHAF CC1CCN(C(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)CC1 82152125 PPNRGIKPFISUHI-UHFFFAOYSA-N 368.456 3.977 0 1 FHAF Cc1ccc(-c2csc(NC(=O)C3=NNC[C@H]3c3ccccc3)n2)cc1 95562072 BMIQQEHZBOOPJB-INIZCTEOSA-N 362.458 3.800 0 1 FHAF COc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1-n1cnc(C)c1 98067412 RILZERRVTGGOEB-UHFFFAOYSA-N 369.852 3.815 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)no1 261184150 WWJVWNDHXSFZCP-GFCCVEGCSA-N 362.393 3.804 0 1 FHAF CCCC[C@@H](CC)CNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12 299834749 TZOGMSFSIZUEEN-GFCCVEGCSA-N 357.414 3.711 0 1 FHAF Oc1nc2sccc2c(N[C@H]2CCCNC2)c1-c1nc2ccccc2[nH]1 299830777 ORNADCNXUPZOQN-NSHDSACASA-N 365.462 3.709 0 1 FHAF COCCCN(CC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)NCCCc1ccncc1 299811082 VQANCEKQLAYJEV-PCCBWWKXSA-N 373.541 3.889 0 1 FHAF COc1ccc(CCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC1CCCC1 299834715 VEZBZXKJDGSUNZ-HOTGVXAUSA-N 361.482 3.585 0 1 FHAF O=C(O[C@H]1C[C@H]2C[C@H]1[C@H](n1cnc3c(Cl)ncnc31)C2)c1ccccc1 299816465 ATKMRHHZZZBAKX-MHEUCROKSA-N 368.824 3.676 0 1 FHAF O=Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C=O)c1O 587534594 WOCTZNFSMOLQSQ-IBGZPJMESA-N 350.370 3.603 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccccc1OC 587870208 BSMPQYMFCDEWTM-UHFFFAOYSA-N 354.381 3.979 0 1 FHAF Brc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cn1 587016331 KBJOHPJTBUJKCE-JTQLQIEISA-N 351.229 3.695 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ncc1O 587550874 CQJHYCOEFHGUEH-APWZRJJASA-N 369.760 3.849 0 1 FHAF Clc1ncc2nc(-c3nc(Br)sc3C3CC3)nc-2[nH]1 587012955 PFAVBVSCFFFFLK-UHFFFAOYSA-N 356.636 3.721 0 1 FHAF CCc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587277091 ZHIHSOICNFRQBU-UHFFFAOYSA-N 360.207 3.876 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(O)cc1 587862872 ZZPPMMDZIDDCQO-UHFFFAOYSA-N 362.307 3.972 0 1 FHAF COc1cccc(N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)c1 587395769 OHXAOUIPOAWEAV-UHFFFAOYSA-N 352.434 3.590 0 1 FHAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 586890741 OTRWTABFIUSSQW-HRAATJIYSA-N 365.477 3.541 0 1 FHAF COC(=O)c1ccc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1OC 587929187 GYIPEKZRQSNNDO-SPLOXXLWSA-N 366.417 3.812 0 1 FHAF CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)cc1F 587368271 MAUFIBRZYKOGFC-UHFFFAOYSA-N 364.174 3.567 0 1 FHAF N=c1cc[nH]cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587248749 CXQZSNYDEPGMRJ-UHFFFAOYSA-N 357.133 3.819 0 1 FHAF Cc1cc2c(cc1O)[C@@](c1cc(F)cc(F)c1)(C1CCC1)N[C@H](C(=O)O)C2 963511074 SVHSTSROQUYKPN-RXVVDRJESA-N 373.399 3.621 0 1 FHAF COc1ccc2c(c1)[C@](C)(c1cc(O)c(OC)c(OC)c1)N(C(C)C)CC2 962085896 BVEVYHGOICXYIJ-QFIPXVFZSA-N 371.477 3.948 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@@]12CCOc1ncccc12 962401226 WLXZTBVHOAPHBD-HXUWFJFHSA-N 351.475 3.566 0 1 FHAF COc1cc(-c2ccc(N(C)C)cc2)cc2c1OCCN(C(=O)C1CC1)C2 1772608582 KHZKGBZWTBHITI-UHFFFAOYSA-N 366.461 3.559 0 1 FHAF CCOc1cccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772577915 CGMZPBWEEAOLQC-INIZCTEOSA-N 352.478 3.841 0 1 FHAF COC(=O)C1=C(C)NC(c2nccs2)=N[C@@]1(C)c1ccc(Cl)cc1 1857552902 QUPSPIQCMMOUAB-KRWDZBQOSA-N 361.854 3.509 0 1 FHAF CCCCCCNC[C@@H]1C(=O)O[C@H]2C[C@@H](C)[C@@H]3CC[C@H](O)[C@@]3(C)C[C@@H]21 1857564162 ARBKJAUTSOKPCA-AUXNIDRLSA-N 351.531 3.521 0 1 FHAF COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 2489219 KMMZFIKOJNTWTH-GOSISDBHSA-N 360.498 3.541 0 1 FHAF 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)CC[C@]12O 3875961 XZTUSOXSLKTKJQ-RGIDTNOESA-N 374.521 3.604 0 1 FHAF CN(C)c1cccc2c(S(=O)(=O)Nc3ccc4[nH]ncc4c3)cccc12 13531337 RYRAGLMVRDILCC-UHFFFAOYSA-N 366.446 3.583 0 1 FHAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(N)cc3C)c(C)nn12 13583106 MBANSLYUPGYBGU-UHFFFAOYSA-N 352.486 3.925 0 1 FHAF CC(C)OC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 13745293 NFFGIYQLMFKVOE-UHFFFAOYSA-N 365.393 3.665 0 1 FHAF C[C@@H]1OC2(C[C@H](OCc3ccccc3)[C@@H]1OCc1ccccc1)OCCO2 17256465 CYNNHJZSXYWLJA-DZFGPLHGSA-N 370.445 3.667 0 1 FHAF COc1cc(C(=O)c2c(N)c3ccc(Cl)cc3n2C)cc(OC)c1OC 29136170 QMQQWNCKULFNOO-UHFFFAOYSA-N 374.824 3.671 0 1 FHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1c(F)c(F)cc(F)c1F 29340375 PNHNDJOGVGSGSR-SEJMYLSOSA-N 373.302 3.664 0 1 FHAF Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 36520305 ZAZVLBZIEZHJFV-BEFAXECRSA-N 355.457 3.531 0 1 FHAF C[C@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 40685371 VFTOBPQVFABRND-MXRWEVEXSA-N 359.510 3.963 0 1 FHAF C[C@@H](Oc1ccccc1Cl)C(=O)N(C[C@H]1CCCN1)c1ccccc1 40949625 RRZBMLJADKLFNE-HZPDHXFCSA-N 358.869 3.893 0 1 FHAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(N3CCCCC3)cc2[nH]1 45496385 OTZGDJFOSDFRBQ-UHFFFAOYSA-N 364.453 3.757 0 1 FHAF C[C@](O)(c1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1)C(F)(F)F 64235681 PBTLIUUMEYQLCW-AWEZNQCLSA-N 364.772 3.943 0 1 FHAF CCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 71296477 JVWYBRODEHTVBN-UHFFFAOYSA-N 368.393 3.959 0 1 FHAF CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)NC(C)C)cc1 72116326 VYLGOZBQIOSNNK-UHFFFAOYSA-N 360.523 3.786 0 1 FHAF CC1(C)[C@@H]2CC[C@]1(C)[C@@](C)(NC(=O)[C@@H]1CC(=O)N(C3CCCCC3)C1)C2 101063387 UCFMNAYGTGRZRO-DJDZNOHASA-N 360.542 3.889 0 1 FHAF O=C(OC1C2CC3CC(C2)CC1C3)N1CC[C@H](c2ncc(Cl)cn2)C1 147385494 GPXNGLKBUZVNEE-CNYNQWADSA-N 361.873 3.881 0 1 FHAF CCNC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169323534 BQWMLHMOZSVPKK-YARDQGKUSA-N 360.542 3.602 0 1 FHAF Cc1c2cc(NC(=O)C3CC3)ncc2cc(-c2ccccc2Cl)[n+]1[O-] 169700084 HAWBYORAGOJKCJ-UHFFFAOYSA-N 353.809 3.846 0 1 FHAF CC[C@@H]1C[C@@H]2CN3Cc4c([nH]c5ccc(OC)cc45)[C@@](OC(C)=O)(C2)[C@@H]1C3 238759417 VOXIUXZAOFEFBL-FGXHJERBSA-N 368.477 3.817 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c1 586923169 ZNWDLNPJFMSGIS-UHFFFAOYSA-N 370.261 3.649 0 1 FHAF Cc1cnc(Cl)c2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c12 586947868 HMIBSKPCONUSKC-UHFFFAOYSA-N 364.858 3.737 0 1 FHAF COC(=O)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c[nH]1 586989180 AIBQHUNNGQILAZ-UHFFFAOYSA-N 370.364 3.934 0 1 FHAF Cc1ccnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 586999873 CWRMDKQJJSKXIW-NSCUHMNNSA-N 372.222 3.970 0 1 FHAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cccnc3[nH]2)cs1 587019437 MZKBKNVYPQVHHX-UHFFFAOYSA-N 350.407 3.649 0 1 FHAF Fc1cnc(Br)c2[nH]c(-c3ncccc3C(F)(F)F)nc12 587108738 QKUJNIAXIFBQBQ-UHFFFAOYSA-N 361.096 3.940 0 1 FHAF Oc1c(F)cc(F)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587134965 YINDZPPIHZWMHJ-UHFFFAOYSA-N 350.634 3.628 0 1 FHAF CC(=O)N[C@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(C)cc1 587206448 MTGLEVGZBUFJOB-CYBMUJFWSA-N 363.248 3.993 0 1 FHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cccc(O)c2[nH]1 587258248 CMJLNCKOYIHFOT-INIZCTEOSA-N 360.417 3.840 0 1 FHAF COC(=O)[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354862 VYNCJQUPYZGSOI-XMLVGPMBSA-N 370.376 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](Cc1c(Cl)nc(C)nc1Cl)O2 587378136 AEBKBEYLWXEOBF-VIFPVBQESA-N 352.221 3.559 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(N)ccc21 587389025 HVHHJDSSNVTRJI-HSZRJFAPSA-N 370.408 3.613 0 1 FHAF COc1cc2c3c(c1)O[C@](CNC(=O)OC(C)(C)C)(C1CCC1)[C@@H](C2)C3=O 587428589 KJDLUJIMZYKCNL-YCRPNKLZSA-N 373.449 3.506 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc4c(cc1OC)C[C@H](C)O4)[C@@H](C2)C3=O 587456516 WFIZKUVIXZPNTQ-LMPSFSECSA-N 352.386 3.516 0 1 FHAF Cn1cc([C@@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517126 HIDBDVKAZBMQFK-HSZRJFAPSA-N 374.440 3.914 0 1 FHAF Cc1cnn(CCF)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558860 XTVPWQZRXFKKCO-JXFKEZNVSA-N 368.364 3.570 0 1 FHAF COC(=O)c1cccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)c1 587560049 VEPKTILTFFURFC-UHFFFAOYSA-N 373.368 3.557 0 1 FHAF CCn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587580003 GPDGIWCZCSPQOH-YLJYHZDGSA-N 350.374 3.620 0 1 FHAF CC[C@H](C)OC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596235 PWHQPNNFDQGJDN-NVMYHKGLSA-N 370.401 3.844 0 1 FHAF C[C@@H]1C[C@H](C(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587611335 SGGMNWGCTRJHTB-SMPSEYGHSA-N 368.385 3.613 0 1 FHAF Cc1cc(C)n(C[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587767371 YKZPUSHZLMFHGF-YMTOWFKASA-N 352.251 3.677 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ncccc3C2)N1 587779379 RICMUVYNVWKXBN-VOJFVSQTSA-N 361.258 3.902 0 1 FHAF CCOc1cc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)ccc1C 587779734 GHFZQWQZXUUWPM-UHFFFAOYSA-N 362.433 3.693 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)N1CCCC1 587863629 NSTULFFPFNMTOM-GFCCVEGCSA-N 367.371 3.702 0 1 FHAF CCCOc1cc2[nH]c(/C=C/C=C/C(=O)O)nc2cc1Br 587966482 UZBACQRVGLDPFX-GGWOSOGESA-N 351.200 3.768 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2ccc(Cl)c3cccnc23)N1 962894441 JGFUHSVBPIEGIC-MAUKXSAKSA-N 356.784 3.716 0 1 FHAF Cc1cc2c(cc1O)[C@@](C)(c1cccc3ccsc13)N[C@H](C(=O)O)C2 963525153 LPCHLERUJNAFTP-OXJNMPFZSA-N 353.443 3.778 0 1 FHAF C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3nccn4nccc34)cc21 1857535636 KCWMSMLVWXXGFU-QFIPXVFZSA-N 354.413 3.849 0 1 FHAF O=C1c2ccc(F)cc2C(=O)N1CCNc1ccnc2cc(Cl)ccc12 1857632180 MDMYQZAZGAWDGA-UHFFFAOYSA-N 369.783 3.735 0 1 FHAF C[C@H](NC(=O)C1CCCCC1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356755446 LYBDIWFARJNFNB-NSHDSACASA-N 360.385 3.936 0 1 FHAF COc1ccccc1C(=O)[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 13595787 WZNSZWACIMQSQV-KRWDZBQOSA-N 367.445 3.561 0 3 FHAF O=C(Nc1ccc(F)cc1)OCc1cn(Cc2ccccc2Cl)nn1 201478796 PDMRUZOSWUFYTF-UHFFFAOYSA-N 360.776 3.868 0 3 FHAF CC(=O)Oc1ccc2c(c1OC(C)=O)CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 1663420 XNYCWDLNVLSGAW-ZJBJCVSYSA-N 368.429 3.872 0 1 FHAF CC1(C)CCC[C@@]23C[C@@](CC(=O)c4cc(O)ccc4O)(CC[C@@H]12)C(=O)O3 2356384336 FXMUSHRKJDUFQJ-DZFGPLHGSA-N 358.434 3.963 0 1 FHAF CC[C@@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@@H](Cc4ccc(OC)cc42)[C@@H]13 101826778 KRRDPQUROQJNSW-OVSDDOEQSA-N 353.506 3.979 0 1 FHAF CC1CCN(S(=O)(=O)c2cccc(-c3ccccc3Cl)n2)CC1 116297191 SXGZOLCUDLIDME-UHFFFAOYSA-N 350.871 3.823 0 1 FHAF CSc1cc2n(c1C(=O)c1ccc(OC(C)C)cc1)CC[C@@H]2C(=O)O 28225708 KHYWNDUKJQTVTL-AWEZNQCLSA-N 359.447 3.800 0 1 FHAF COC(=O)C=C(C)CC[C@@H]1C(C)=C[C@H](O)[C@H]2[C@@]1(C)CCC[C@@]2(C)CO 2356440582 HXAKMRKMIMKHHX-RKNHFHLDSA-N 350.499 3.628 0 1 FHAF CCCC=C[C@H](OC(C)=O)[C@]1(C)C(=O)O[C@H](C(C)(C)C)C[C@@H]1OC(C)=O 2356697818 RGVVQSZQMJUXMK-BOSXTWCSSA-N 368.470 3.574 0 1 FHAF CCCC[C@@H]1NC(=O)OC12CCN(CCc1c[nH]c3ccccc13)CC2 28760964 VGVKAHGAYMCWGK-IBGZPJMESA-N 355.482 3.844 0 1 FHAF COC1=CC=C(C[C@H]2NCCc3c2n(C)c2ccc(C)cc32)C[C@@H]1OC 26671627 MEAYKEROHTYIJB-NQIIRXRSSA-N 352.478 3.939 0 1 FHAF Cc1ccc(C(=O)N2CCC[C@H]2c2nnn(-c3cccc(Cl)c3)n2)s1 34999324 FMXZIHDJQYBDIL-AWEZNQCLSA-N 373.869 3.663 0 1 FHAF COC(=O)c1ccccc1OCC(=O)N[C@H](C)c1cccc2ccccc12 7096859 SERCMSNCIHQGPP-OAHLLOKOSA-N 363.413 3.883 0 1 FHAF biogenic CC(C)(C)OC(=O)CCNC(=O)C(=O)CCCCCCc1ccccc1 45495798 BTVXYIHQAQOQLT-UHFFFAOYSA-N 361.482 3.597 0 1 FHAF in-vivo CCCNC(=O)c1ccc(C)c(-c2ccc(C(=O)NCC3CC3)cc2)c1 40916671 OANOYUOOOJQIPT-UHFFFAOYSA-N 350.462 3.942 0 1 FHAF Cc1nn(-c2ccccn2)cc1CN1CCC2(CC1)OCc1ccccc12 40391794 SFQGQBSIVKZIBM-UHFFFAOYSA-N 360.461 3.597 0 1 FHAF O=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CC[C@H]1CO 145893720 PNVSESWIENVDOX-AOKPMGOMSA-N 357.469 3.503 0 1 FHAF O=C(C1CC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 95877406 XBCCLMQJAKAFTB-WMQCIHAUSA-N 366.436 3.579 0 1 FHAF C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 142738565 BBFFESQUILMRKJ-SNVBAGLBSA-N 367.232 3.839 0 1 FHAF Cc1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F 144901492 MSHURQRLHPBHCM-LJQANCHMSA-N 374.362 3.629 0 1 FHAF COc1ccc([C@@]2(c3cccc(-c4cccnc4)c3)N=C(C)C(N)=N2)cc1 95574022 PHOHQSLNKFJNQU-JOCHJYFZSA-N 356.429 3.790 0 1 FHAF CCCCCn1cc(C(=O)N[C@H](C)CCC(C)C)c(=O)c2c(C)nn(C)c21 95594421 XXPWCWGFJLGBFN-OAHLLOKOSA-N 374.529 3.788 0 1 FHAF C[C@H](CCN)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 261152264 PEAFVGSJDSBIIY-WWPGWPAGSA-N 363.586 3.962 0 1 FHAF Cc1ccc(NC(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)cc1 653706041 VLEPUOURPSXMBP-UHFFFAOYSA-N 358.405 3.931 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](c4ncccc4O)C1)[C@@H](C2)C3=O 587436012 LUNPJZFAMZLUKG-PYDTXJQDSA-N 351.402 3.640 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(F)c1 587555694 RDINTLUTNJEHNZ-YLJYHZDGSA-N 352.317 3.940 0 1 FHAF C=Cn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587762521 FRFSRJMFLBUOLM-JDNHERCYSA-N 350.235 3.817 0 1 FHAF Cc1cc(C)c2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 587038927 VCXDTIADLHOEFG-LBPRGKRZSA-N 367.478 3.927 0 1 FHAF CCOc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587518 NBEXTQQNQIORKH-XLIONFOSSA-N 363.369 3.889 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3CC[C@H]1N3C(=O)OC(C)(C)C)O2 587401028 RWWUCTOCGGALDD-PJUBBZNESA-N 372.465 3.843 0 1 FHAF CC[C@@]1(c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587758118 POZRUBQGOVKJBE-DYZYQPBXSA-N 366.278 3.818 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CCO)cc2)N1 587827072 NERZKIJLGZLWBK-ADLMAVQZSA-N 364.258 3.747 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2ccc(Cl)cc21 587460248 GXXYMASUPYZGBA-HXUWFJFHSA-N 371.820 3.835 0 1 FHAF Nc1cc(C(=O)O)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587249525 NIRGVRHIARVLHO-UHFFFAOYSA-N 366.602 3.926 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)ccn1)[C@@H](C2)C3=O 587417486 LDLPMMQTABFJTN-SJCJKPOMSA-N 360.207 3.516 0 1 FHAF CCOC(=O)c1cc(C)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1C 587946137 SRZFLGPVQOUFDQ-INIZCTEOSA-N 352.337 3.904 0 1 FHAF CCOC(=O)/C=C(\C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587795390 ISEJRBKTDLVJAQ-AFPMPGOHSA-N 356.235 3.673 0 1 FHAF COC(=O)C12CC([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)(C1)C2 587808197 NPEBYTAXPIIWDW-DVRNNTLOSA-N 368.246 3.507 0 1 FHAF CCc1ccc2c(c1)[C@@]1(C(=O)N2)c2cccc(Br)c2CCN1C 963280627 ODQBALNWBRJAPA-LJQANCHMSA-N 371.278 3.695 0 1 FHAF CCOC(=O)C[C@H](C)C[C@@]1(c2ccccc2)NCCc2ccc(O)cc21 963329087 KXQQCQIEVSDDIY-AOMKIAJQSA-N 353.462 3.761 0 1 FHAF COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)c4cccnc4)C3)ccc2c1 11816288 IRPHJMUSIJTARJ-FQEVSTJZSA-N 374.440 3.979 0 3 FHAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 12495409 DBEPLOCGEIEOCV-KGCCDXPUSA-N 372.553 3.815 0 1 FHAF O=C(CCc1nnc(S)[nH]1)Nc1cc(Cl)c(Cl)cc1Cl 17191788 JZUHCNSDUBXMIG-UHFFFAOYSA-N 351.646 3.625 0 1 FHAF CC(C)N1C(=O)CC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 206020953 ADLNUFAHKSIAHB-QUCCMNQESA-N 357.475 3.601 0 3 FHAF COc1ccc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc1 1857633155 XFSUOIKBTLBOID-UHFFFAOYSA-N 374.462 3.591 0 1 FHAF COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cccnc23)nc1 1857655536 VRPRBQAJAQCSCW-UHFFFAOYSA-N 359.389 3.654 0 1 FHAF C[C@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1ccccc1 201312250 ARVDCQCSZGUSGD-HNNXBMFYSA-N 363.465 3.592 0 1 FHAF CC(=O)Nc1nn(C(C)=O)c2nnc(-c3ccccc3)c(-c3ccccc3)c12 13674800 FMMIVOWTVTVRRT-UHFFFAOYSA-N 371.400 3.779 0 1 FHAF CCC[C@H](C(=O)c1ccc(I)cc1)N1CCCC1 13682051 QXBWECFEEZMKTN-CQSZACIVSA-N 357.235 3.738 0 1 FHAF in-vivo CC(C)C(=CC(=O)OC[C@H](CO)OC(=O)CC(C(C)C)C(C)C)C(C)C 13862901 JLTZLRHEIAWUHD-KRWDZBQOSA-N 370.530 3.990 0 1 FHAF CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@H]3[C@H]1C5 28523974 LGKQZPYRRAWJJB-LSQVQBOPSA-N 358.441 3.678 0 1 FHAF O=C(OCc1ccccc1)c1coc(-c2cncc(Br)c2)n1 49066888 NCMGLSCJSWZHKY-UHFFFAOYSA-N 359.179 3.856 0 1 FHAF C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 49785049 WGILEDPBANVMMK-ZRNGKTOUSA-N 355.800 3.690 0 1 FHAF O=C1NCCC12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)CC2 64527273 MDGFRVAELSDIOD-UHFFFAOYSA-N 356.416 3.656 0 1 FHAF COC(=O)C/C=C/[C@H](C)[C@H](OC)c1c(Br)ccc2c1OCO2 66123288 WGONEYCOJVMLLL-NGJZLQKBSA-N 371.227 3.621 0 1 FHAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3cccs3)no2)CC1 71329392 HWEFEZJVFIOBJA-UHFFFAOYSA-N 359.373 3.847 0 1 FHAF Cn1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncc2Cl)n1 71342078 LVGLNTAMDRUXSB-UHFFFAOYSA-N 369.856 3.716 0 1 FHAF COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 84620158 LAXSARIODJAIOF-AWEZNQCLSA-N 353.397 3.819 0 1 FHAF COc1ccc([C@H](c2ccc3c(c2)OCO3)[C@@H](C)[C@H](C)CO)cc1OC 85641948 KGDBNDDWKNDHSU-HKZYLEAXSA-N 358.434 3.829 0 1 FHAF biogenic Cc1ccccc1-n1cc(C=O)c(-c2c(O)ccc3c(C)cc(=O)oc23)n1 96939311 OJLLFNIHDDWTKP-UHFFFAOYSA-N 360.369 3.781 0 1 FHAF COc1cc(O)c(C[C@H](C)[C@H](C)Cc2cc3c(cc2O)OCO3)cc1OC 103237796 HWEDUYYNFQNDIU-QWHCGFSZSA-N 374.433 3.901 0 1 FHAF biogenic C=Cc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc3[nH]cnc23)c1 113149564 ZXCWJCSMZLCWSS-UHFFFAOYSA-N 359.393 3.514 0 1 FHAF c1cc(-c2nc(O[C@H]3CCCNC3)c3c4c(sc3n2)CCCC4)ccn1 223661705 HXIRXZZFXRCLRX-AWEZNQCLSA-N 366.490 3.763 0 1 FHAF Oc1cccc(CCc2nc3c(Cl)c(Br)cnc3[nH]2)c1 586896967 NHBLMRQRHIWQGW-UHFFFAOYSA-N 352.619 3.865 0 1 FHAF COC(=O)c1ccc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2c1 586915290 CDMVARJFKOISKO-VFNWGFHPSA-N 364.401 3.566 0 1 FHAF COc1cc(/C=C/c2nc3c(Cl)ncnc3[nH]2)ccc1Br 586977593 RODICMNMHVEMPE-HWKANZROSA-N 365.618 3.948 0 1 FHAF Cc1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2n1 586999541 GGUBQSHTKCMPDH-UHFFFAOYSA-N 372.178 3.508 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 587040794 BZLQDRGYYXCJEC-SECBINFHSA-N 359.282 3.885 0 1 FHAF O=C(/C=C\c1nc2ccc(Br)nc2[nH]1)Nc1ccc(F)cc1 587166928 KHVQAGRHGSZKEW-FPLPWBNLSA-N 361.174 3.511 0 1 FHAF Cc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1F 587194377 QKMCLMYUTBDOJG-ZDUSSCGKSA-N 350.438 3.528 0 1 FHAF Nc1ccc(C(=O)CCc2nc3cc(Br)cc(F)c3[nH]2)cc1 587252015 ULBDKDFYJNZISW-UHFFFAOYSA-N 362.202 3.862 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cn3cncn3)c(C)cc1C)O2 587389637 BTGGAIVVDXDJAD-HXUWFJFHSA-N 362.433 3.540 0 1 FHAF CCOC(=O)c1c(C)[nH]c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587397587 XZBVRNBHWQWIGR-HXUWFJFHSA-N 356.422 3.579 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)([C@@H]1CCCNC1)O2 587401194 QRUBDCTZYSSSFM-VGSWGCGISA-N 350.462 3.524 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCSCC4)s1)[C@@H](C2)C3=O 587452037 QDOYOYUSKPHFLJ-ORAYPTAESA-N 373.499 3.799 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c(C)c1C(=O)OC)CC2=O 587482779 KFZMLMJWOSCFGT-INIZCTEOSA-N 357.406 3.783 0 1 FHAF CCOC(=O)[C@H](CCOC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524497 RMBUJHJMWHWUDO-UWJYYQICSA-N 360.450 3.505 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CF)n1 587557447 RUYXZJMNIKEWMC-XLIONFOSSA-N 351.333 3.960 0 1 FHAF C[C@@H]1CCCN(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587584387 XJHVJIOVQLZTGQ-YIFZBPKDSA-N 367.445 3.844 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc[nH]c2n1 587591026 UBFXDNNZAHYZOI-YLJYHZDGSA-N 358.353 3.971 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCOC1 587858544 JRPUYLJUJWNRNP-SNVBAGLBSA-N 355.221 3.932 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1[nH]c2nccc-2cc1Cl 963044133 CEYVLZXRBHGJNS-LJQANCHMSA-N 364.836 3.960 0 1 FHAF CON/C=C\[C@@]1(c2ccc(F)cc2)NCCc2c(OC)ccc(Cl)c21 963256530 DEIDHCYBCMXECY-XASXRRJKSA-N 362.832 3.542 0 1 FHAF O=C(O)c1cccc(Cc2c(-c3ccoc3)nn3cc(Cl)ccc23)n1 1772632221 VVPINDCWCIBJTL-UHFFFAOYSA-N 353.765 3.932 0 1 FHAF Cc1ccc2c(c1)cc(CCCC(=O)O)n2S(=O)(=O)c1ccccc1 1772650917 LHINNMZIQFJVNI-UHFFFAOYSA-N 357.431 3.594 0 1 FHAF CCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](CC)C2 1857772799 ZDCSNDGXGFXYRH-CYBMUJFWSA-N 357.406 3.518 0 1 FHAF Cc1[nH]c(C(=O)NC2CCC2)c(C)c1Cc1ccc(C(F)(F)F)nc1 1911582948 PMWASGUBMYOQNJ-UHFFFAOYSA-N 351.372 3.918 0 1 FHAF Cc1ccc2nc(CO[C@H]3CN(C(=O)Nc4ccccc4)C[C@@H]3F)[nH]c2c1 2356746986 HECXUAYLIIRDMB-YJBOKZPZSA-N 368.412 3.642 0 1 FHAF Cn1nc(C2CCCC2)cc1[C@H]1CN2CC[C@H]1C[C@H]2CNCc1ccco1 2356839818 LYOLGCTZKPMWLW-BJLQDIEVSA-N 368.525 3.638 0 1 FHAF CC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1c1ccccc1 12478395 ZIQJTIWTCMSZRT-HNNXBMFYSA-N 369.364 3.935 0 3 FHAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]12 205216417 KNQFQDFCZLVDOP-WBVHZDCISA-N 374.362 3.889 0 3 FHAF C[C@@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1Cl)C(F)(F)F 1539871 FSMLYTJJLFECDK-MRXNPFEDSA-N 371.742 3.823 0 1 FHAF CC(=O)O[C@@H]1C(=O)[C@](C)(O)c2c(O)cc(C)cc2[C@@H]2[C@H](C(C)C)CC[C@@]12C 2356391974 KGGPBWHTMLVPDY-VHKKYJKNSA-N 374.477 3.578 0 1 FHAF COC(=O)C1=CC[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2[C@@H](C)CCC(=O)C(C)C 2356395876 WLOJMVRFMHXVIR-CMKCLMSLSA-N 350.499 3.914 0 1 FHAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 4043185 VPFOJNUOWNTJNQ-MJGOQNOKSA-N 371.506 3.822 0 1 FHAF Fc1ccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccncc3)cc2)cc1 100107019 HSZPJQBHNMEWDK-NUNAXRQHSA-N 359.448 3.828 0 1 FHAF COc1ccc(C)cc1NC(=O)OC1C[C@H]2CCC[C@H](C1)N2CCF 101190787 RITGYSHLRWARDN-HUUCEWRRSA-N 350.434 3.907 0 1 FHAF Cc1nc(-c2cccs2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNCC(C)C)n1 2356301209 YJZBVBKNCBWRDO-OKZBNKHCSA-N 370.566 3.937 0 1 FHAF COc1ccc([C@H]2[C@H]3CSc4ccc(OC)cc4C3=NN2C(C)=O)cc1 28635516 VGPDGUAKRHAHGI-PXNSSMCTSA-N 368.458 3.733 0 1 FHAF COCCn1ncc2c1[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C2 28528629 INEQZVGATSEVNJ-IIZPIQPGSA-N 352.478 3.805 0 1 FHAF COc1ccc(OC)c(CNC(=O)c2cccnc2Oc2ccccc2)c1 26401013 CZRGSUVBZMHYLX-UHFFFAOYSA-N 364.401 3.821 0 1 FHAF NC(=O)c1ccc(Nc2nc([C@@H](N)c3ccccc3Cl)cs2)cc1 61926989 QJGQGFOLFNWUFG-HNNXBMFYSA-N 358.854 3.687 0 3 FHAF O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccc3c(c2)OCCO3)s1 72123206 KMLCNFYRAOPZIW-RMKNXTFCSA-N 365.414 3.628 0 1 FHAF CCc1cc(Nc2cc3ncn(CCCCOC)c3c(=O)[nH]2)ccc1C 72171060 YRVGXWVCIQLIFU-UHFFFAOYSA-N 354.454 3.766 0 1 FHAF CCc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc3c(cc1-2)OCO3 34249934 MCAHQNRMXWWJAG-UHFFFAOYSA-N 364.421 3.659 0 1 FHAF COc1cc(OC)c([C@@H]2COc3cc4occc4cc3C2=O)cc1OC 14613433 JEBAYRCLJJUGFS-AWEZNQCLSA-N 354.358 3.818 0 1 FHAF biogenic CCNc1nc(NCc2cccc(OC)c2)nc2cc(OC)c(OC)cc12 82131628 BWFZXMSHLZLUBM-UHFFFAOYSA-N 368.437 3.700 0 1 FHAF NCCSC(c1ccccc1)(c1ccccc1)c1ccc(C(N)=O)cc1 84587888 HODAQEQRNZGGAY-UHFFFAOYSA-N 362.498 3.769 0 1 FHAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccco2)C1 82142659 JCFMTLODYIUNJV-LSDHHAIUSA-N 356.470 3.843 0 1 FHAF O=C1CSC(N2N=C(c3ccccc3)C[C@@H]2c2c(F)cccc2F)=N1 98084918 OPJJIZQEKJZUKJ-OAHLLOKOSA-N 357.385 3.745 0 1 FHAF COc1ccc2oc(=O)c(OC3CCN(Cc4ccccc4)CC3)cc2c1 95594931 OVDVDLRCTZMQGV-UHFFFAOYSA-N 365.429 3.845 0 1 FHAF O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 299844810 JKKJNHCDVQUNCY-LEUOFYLZSA-N 351.450 3.879 0 1 FHAF Fc1ccc(-c2noc([C@@H]3CCc4c(nnn4C4CCCC4)C3)n2)cc1 653775419 UXDSKMZZDCGOBW-CYBMUJFWSA-N 353.401 3.855 0 1 FHAF Cc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1O 587659950 LOSZWOLPXFIOAM-UHFFFAOYSA-N 374.371 3.905 0 1 FHAF Cn1cc(-c2ncc(-c3nc4cccc(Br)c4[nH]3)s2)cn1 587022319 XZLYFCSHVIJCKC-UHFFFAOYSA-N 360.240 3.849 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2CCO)N1 587826073 JUIAXFZBQPGNDY-ZUCKAHLUSA-N 356.279 3.890 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)ccnc1F)O2 587387523 TYTCPXUPVPLCRO-GFCCVEGCSA-N 351.175 3.580 0 1 FHAF FC(F)(F)CCc1ocnc1-c1nc2c(Br)ccnc2[nH]1 587091124 BKGWPCSXCILIMO-UHFFFAOYSA-N 361.121 3.870 0 1 FHAF CCOC(=O)[C@H]1[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]21 586992751 SVFGEWWMXSIHSN-OCBCSQNSSA-N 371.392 3.601 0 1 FHAF COc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1Cl 587035085 NTDHUPWVYUSURQ-UHFFFAOYSA-N 361.854 3.705 0 1 FHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc4cn[nH]c4cc3[nH]2)cs1 587014325 PZYWFSFMHATUBP-UHFFFAOYSA-N 370.438 3.587 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(C(Cl)=COc4cc(O)ccc41)[C@@H](C2)C3=O 587421682 QYJXESAEKGXEPH-ORAYPTAESA-N 356.761 3.516 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(F)ccc2F)N1 587739048 SNSXPUGJANLJFY-NZFNHWASSA-N 357.173 3.885 0 1 FHAF CC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586996240 CBMBURYHKFZJBF-CQSZACIVSA-N 358.239 3.771 0 1 FHAF Nc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n[nH]c2c1 587592456 HDWOGLJXAPYMRT-UTKZUKDTSA-N 373.368 3.554 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2CC2CC2)N1 587755595 BAQHMVKPKVNOBQ-BTDLBPIBSA-N 364.262 3.818 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1CCO[C@@H]1C2(C)C 587837312 FQMZPLCLQXUEJM-IXFPXVLDSA-N 354.263 3.763 0 1 FHAF COC(=O)c1cc2[nH]c([C@H]3SCCc4sccc43)nc2cc1OC 587037366 UPVIBFVZYGRXEA-HNNXBMFYSA-N 360.460 3.798 0 1 FHAF CCSC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614672 UIORYTARVSUDBI-QFBILLFUSA-N 358.415 3.782 0 1 FHAF CC[C@@]1(c2cnccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587776575 YBTXAMXNLAHKHJ-QLJPJBMISA-N 350.235 3.566 0 1 FHAF COC(=O)[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587804217 DANURWOCYSXXNM-RVPKQNPDSA-N 370.262 3.681 0 1 FHAF COc1ccc(C)cc1NCCCc1nc2cc(OC)c(OC)cc2[nH]1 587228640 FIUGVVUGFHHFPY-UHFFFAOYSA-N 355.438 3.942 0 1 FHAF CS(=O)(=O)/C=C/c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586927697 VOKZVIJLYYXJKY-CMDGGOBGSA-N 355.444 3.855 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N1CCCC[C@@H]1C)CC2=O 587481064 XRHVBSQRMBTOOJ-LHSJRXKWSA-N 359.466 3.860 0 1 FHAF CCOc1ccccc1[C@@](N)(c1nc2ccnc(Cl)c2[nH]1)C(F)(F)F 587091086 BATZWTASPDEOBK-OAHLLOKOSA-N 370.762 3.775 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c(C)c1Br)CC2=O 587457372 HNKBWBVCFLOYLY-CYBMUJFWSA-N 365.227 3.845 0 1 FHAF O=C1COc2cc3[nH]c(-c4cc(Cl)nc5ccccc45)nc3cc2N1 587084558 BZORKQJEZRGTAH-UHFFFAOYSA-N 350.765 3.762 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c1 586922329 LMEFARWTXBLSGE-UHFFFAOYSA-N 370.261 3.649 0 1 FHAF C[C@@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173777 JDESFPZJUVNNDT-KRWDZBQOSA-N 368.261 3.887 0 1 FHAF Cc1c(F)ccc2c1[C@](c1ccccc1Cl)(c1nccn1C)NCC2 962090222 HRRPGCOQUQVKKX-HXUWFJFHSA-N 355.844 3.959 0 1 FHAF COc1ccccc1[C@@]1(C(=O)O)NCCc2cc(-c3ccccc3)ccc21 962673125 ZQFFFMBSOSFUTN-QHCPKHFHSA-N 359.425 3.836 0 1 FHAF COc1ccc2c(c1OC)[C@@]1(CCCc3ccc(CN)cc31)N(C)[C@H](C)C2 962565523 HQAMSWKXIGWPHL-CMJOXMDJSA-N 366.505 3.619 0 1 FHAF CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1c(C)noc1C)[C@@H]23 1772638277 NQFLASNROINFCS-XFKSJGNHSA-N 359.514 3.797 0 1 FHAF Cc1ccc2c(c1)CN(CCC(=O)NCc1ccc(Cl)cc1)C[C@@H](C)O2 12158911 HNCGGMLSENKYQQ-MRXNPFEDSA-N 372.896 3.938 0 1 FHAF Cc1nn(C(=O)Cc2ccccc2)c2c1[C@@H](c1ccccc1)SC(N)=N2 17221723 LWSAWOCJQJKXEL-GOSISDBHSA-N 362.458 3.857 0 1 FHAF COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@H]32)ccc1O 2463726 KNUWZJNVRUBDEL-MGXFYRGHSA-N 361.488 3.803 0 1 FHAF C[C@@H](c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 26494847 KFEYPBZJPJJRFX-INIZCTEOSA-N 369.896 3.830 0 1 FHAF Cc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 29552240 HXMDACXTUFNBFC-UHFFFAOYSA-N 371.487 3.947 0 1 FHAF CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H](c1ccccc1)n1cccc1 2356726286 SZRIPZAVWBTLLS-BDTNDASRSA-N 365.521 3.800 0 1 FHAF CCCCC[C@@H](O)C=CC=C(CCCCCCCC(=O)O)C[C@@H](O)CO 2356746426 VEDXQLNICSIAQV-WOJBJXKFSA-N 370.530 3.969 0 1 FHAF COc1cc(/C=C/c2nc3ccccc3c(=O)n2C)ccc1-n1cnc(C)c1 66251338 HYVJZZIAHXAHSF-PKNBQFBNSA-N 372.428 3.607 0 1 FHAF Nc1cnc(-c2ccc(-c3ccccc3O[C@@H]3CCCNC3)cc2F)cn1 217830294 LOKBDTUZBZMZCJ-OAHLLOKOSA-N 364.424 3.663 0 1 FHAF COc1ccc([C@@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cn1 72112998 BYJUDJGGGMAIRI-UONOGXRCSA-N 359.792 3.621 0 1 FHAF CCCCC[C@@H](O)CCc1cccc(=O)n1CCCCCCC(=O)O 1911586373 BZFMOMUMMMUZDV-GOSISDBHSA-N 351.487 3.757 0 1 FHAF CCc1c(C)[nH]c2cc(OCCOc3ccccc3)c(OC)cc2c1=O 73240162 XLXZKEVLRRWKAK-UHFFFAOYSA-N 353.418 3.865 0 1 FHAF CCCCCN1C(=O)[C@@]2(CC(=O)c3cc4c(cc32)OCO4)c2ccccc21 71341203 UGTQLKHEIQMVBY-QFIPXVFZSA-N 363.413 3.825 0 1 FHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3C)cc2OC)c1 224680224 HIVOASQRESOTMJ-CYBMUJFWSA-N 365.433 3.893 0 1 FHAF Cc1ccccc1N1c2ccc(Cl)cc2S(=O)(=O)c2c(N)n[nH]c21 40420425 WTSMNZNCKXJGMH-UHFFFAOYSA-N 360.826 3.570 0 1 FHAF COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(O)cc34)[C@H]1S2 220444707 HKRXEFQDOZGSKH-LJQANCHMSA-N 352.415 3.685 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 253783084 SPRAISFZWHQEFO-CHMHSJMSSA-N 356.466 3.595 0 1 FHAF COCCn1cc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C2 261189926 YSZGTYAHCXJWGC-DYQZNNLLSA-N 352.478 3.805 0 1 FHAF N=C(N)N1CCC[C@H]1c1nc(-c2ccc(CCc3ccccc3)cc2)no1 473160959 ZIZMXAAWVANFQA-SFHVURJKSA-N 361.449 3.552 0 1 FHAF C[C@H](C(N)=O)N1CCCC[C@H]1c1ccc(OCc2cccc(F)c2)cc1 473166046 DCHBITHJABIYOA-QRWLVFNGSA-N 356.441 3.806 0 1 FHAF Cc1ccc2[nH]cc([C@@]3(O)C(=O)Nc4ccc(OC(F)(F)F)cc43)c2c1 299828501 JOUSQIDEHCONDG-QGZVFWFLSA-N 362.307 3.563 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cccc(Br)c3[nH]1)C2 587246183 DJGHPIKLIPTCAM-GOSISDBHSA-N 372.266 3.677 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(CC(F)(F)F)c1)CC2=O 587460469 IUJMAZKMKUJGJD-OAHLLOKOSA-N 354.328 3.810 0 1 FHAF Cc1cc(F)ncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567971 GIHKULVFLXJBTE-PXNSSMCTSA-N 351.333 3.938 0 1 FHAF CCCn1ccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587755701 PXIFCWINTPFLKH-MEBBXXQBSA-N 352.251 3.818 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2F)N1 587738884 ROKZQJFVNMBCIJ-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1[C@@H]1CCCCO1)CC2=O 587475173 JVZBYFFLTRGZHL-OALUTQOASA-N 356.422 3.947 0 1 FHAF CC(=O)N(C)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587535858 OVXNHSDLZRODSG-KRWDZBQOSA-N 356.447 3.711 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)C(C)(C)C(=O)N3)O2 587399225 HGTCVGHANPVHDJ-OAQYLSRUSA-N 350.418 3.688 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccncc2[nH]1 587589440 OQGRWLISWFVLQL-WIYYLYMNSA-N 358.353 3.971 0 1 FHAF O=C(Nc1nc(Cc2nc3ccc(F)cc3[nH]2)cs1)c1cccc(O)c1 587020100 WOFSTPRZPGUUHV-UHFFFAOYSA-N 368.393 3.707 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CCC[C@@H]3C2)N1 587793622 RQEKRUFAPZBCOE-NDGTYSDOSA-N 353.279 3.576 0 1 FHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cncc(Br)c2[nH]1 587068823 FHLPWRNXGWHRAH-SNVBAGLBSA-N 365.662 3.659 0 1 FHAF CCOC(=O)[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798615 PNJFEXHPDRFYLF-MGPLVRAMSA-N 358.251 3.537 0 1 FHAF COc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc(OC)c1O 587786026 RONDOZGARPTJSE-UHFFFAOYSA-N 367.174 3.854 0 1 FHAF Fc1cncc(Cl)c1Cc1nc2c(F)cnc(Br)c2[nH]1 587175380 CGMNAQFYMHZIJL-UHFFFAOYSA-N 359.561 3.638 0 1 FHAF COc1cc2c(cc1F)[C@@]1(CC2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618020 CSYRRDYCCAOGJD-DMZKTXOQSA-N 371.452 3.918 0 1 FHAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(F)c(C(=O)c2ccccc2)c1F 1772624044 NIQPQGRAEGMQOO-MLGOLLRUSA-N 360.404 3.500 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@@H](C[C@H]1CCN(Cc3ccccc3)C1)C2 1772646244 TUFQEVJENHMDPV-MJGOQNOKSA-N 365.473 3.971 0 1 FHAF C[C@H]1CCCC[C@H]1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 12645194 XXBSQJVWOVZCRW-LXZKKBNFSA-N 356.495 3.848 0 1 FHAF O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[N@@]1S(=O)(=O)c1ccccc1 1857624200 VYYHECSZIFMLKM-JAXLGGSGSA-N 363.438 3.684 0 1 FHAF CC(=CCc1c(O)ccc(-c2cc3cc4c(cc3o2)OCO4)c1O)CO 2356428023 UTQWTHAXMBKRPI-UHFFFAOYSA-N 354.358 3.721 0 1 FHAF O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 3975470 DDZQMBOZIXTELH-FCSDKFEESA-N 370.512 3.775 0 1 FHAF CSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@@H]2c1ccncc1 102836393 LTQATRDGZPXAKD-IGWPVBGESA-N 372.450 3.732 0 1 FHAF O=C(N[C@H]1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2 26497211 ZYZWIJNZQDASMZ-JNCPLXCYSA-N 370.512 3.775 0 1 FHAF CC(C)(C)CCN1CCC[C@@H](NC(=O)COc2ccc(F)cc2Cl)C1 66114373 CISQECDQGHTYPW-OAHLLOKOSA-N 370.896 3.875 0 1 FHAF O=C(O)c1ccc(Nc2ncc3c(Cl)nn(-c4ccccc4)c3n2)cc1 29042604 DQKGUOVMKYKFNV-UHFFFAOYSA-N 365.780 3.911 0 1 FHAF CC[C@H](C)[C@@H]1OC(=O)[C@@H]2C[C@]3(CC=C(C)C)c4ccccc4N[C@H]3N2C1=O 2356788013 WEQVDRJVVSLJPA-SOSNMWEESA-N 368.477 3.605 0 1 FHAF CC(C)c1c(O)c2c(c3c1OCO3)C[C@@]1(O)CCCC(C)(C)[C@@H]1CC2=O 14758677 DTBDZSSMCMSRSI-QKKBWIMNSA-N 360.450 3.931 0 1 FHAF biogenic CCCC[C@H](/C=C1/C[C@](CO)(COC(=O)c2ccccc2C)OC1=O)CC 40423095 WFEVCGXGHAEORJ-KKVKFBEUSA-N 374.477 3.973 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2cccnc2c1=O 49067118 GFKUETCHMIRCOJ-UHFFFAOYSA-N 356.381 3.810 0 1 FHAF CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 15204571 OSRHRAOBVGHGFZ-SNMGDHFUSA-N 372.461 3.722 0 1 FHAF biogenic COCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccccc2)n1 82132801 YRILGUQPCLGFGD-MAUKXSAKSA-N 368.481 3.510 0 1 FHAF O[C@@H](COCc1ccc(Cl)cc1Cl)CN1CCc2ccccc2C1 220894041 GWHHZTRDFLGVLH-GOSISDBHSA-N 366.288 3.929 0 1 FHAF CCCc1ccc(N2CCN(C(=O)c3noc4c3CCCCC4)CC2)cc1 95552439 FLGKZMCVYCMELC-UHFFFAOYSA-N 367.493 3.858 0 1 FHAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2ccccn2)cc1 95555772 JXHCYNJBUVRFDD-GOSISDBHSA-N 372.490 3.788 0 1 FHAF O=C(Nc1cc(CF)ccn1)Nc1cccc2c1[C@H]1CCCCN1C2=O 653741127 BHGNYQXAUNNTRE-OAHLLOKOSA-N 354.385 3.876 0 1 FHAF C[C@@]1(c2cccnn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344913 HTDQDNYFHZENPC-QUCCMNQESA-N 350.349 3.596 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)nc2)N1 587736979 CPEKCXABUMGGOU-ABKXIKBNSA-N 353.210 3.920 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCN(C)CC2)N1 587764894 AIAUNDWEQPSEHD-DIFFPNOSSA-N 355.295 3.679 0 1 FHAF C[C@]1(C2(O)CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607049 GYXXVMTUXIVZFB-XLIONFOSSA-N 354.402 3.808 0 1 FHAF CC[C@@]1(C2CCNCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791581 GNBYEBNPFHVPSB-GTNSWQLSSA-N 355.295 3.727 0 1 FHAF COc1ccc(C2(c3nc4cccc(C(N)=O)c4[nH]3)CC3(CCC3)C2)cc1 587935604 PDQPNBLSNZZKSU-UHFFFAOYSA-N 361.445 3.921 0 1 FHAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(Cl)ncnc2[nH]1 587167437 NEBFWFMBOONKJG-NSHDSACASA-N 360.780 3.514 0 1 FHAF CC1=C(c2ccc3nc(-c4ccc5c(c4O)CCCC5)[nH]c3c2)NNC(=O)C1 586898104 LXFYZRPWHKYWBA-UHFFFAOYSA-N 374.444 3.570 0 1 FHAF CCOC(=O)/C(=C/N(C)C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103451 HFBRGEUMKYCAQS-QGOAFFKASA-N 372.424 3.912 0 1 FHAF COc1cc(O)cc(OC)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523492 JHCUUMCMYMQLMK-IBGZPJMESA-N 354.402 3.995 0 1 FHAF N[C@H](Cc1nc2c(Br)ccnc2[nH]1)c1ccccc1Cl 587057555 PMUJFTJIVCACAU-LLVKDONJSA-N 351.635 3.616 0 1 FHAF C[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)n1cc(Cl)cn1 587078996 DLLBNXDXVMFZKL-RXMQYKEDSA-N 361.030 3.833 0 1 FHAF O[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccccc1Cl 587057676 CUJIHAINUDRNTJ-QMMMGPOBSA-N 363.126 3.712 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4)c1C)[C@@H](C2)C3=O 587432917 STTVHCVAQQPYHZ-JTSKRJEESA-N 360.413 3.986 0 1 FHAF CN1CCN(c2ccc3nc([C@H]4Cc5ccccc5S4)[nH]c3c2)CC1 587041349 NALIQTZIHXAJAI-LJQANCHMSA-N 350.491 3.704 0 1 FHAF COC(=O)c1csc([C@@H]2c3ccsc3CCN2Cc2ccco2)n1 962714153 YUTSVDJPVLMLNT-HNNXBMFYSA-N 360.460 3.732 0 1 FHAF Cc1sc2c(c1C)CCN[C@@H]2c1cc2cc3c(cc2nc1O)OCCO3 963029442 RZAKHKUFEWSHGK-GOSISDBHSA-N 368.458 3.625 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccccc1OC 639886 YCQMWCZLBBEGAF-CQGUWYRNSA-N 359.422 3.897 0 1 FHAF C=CC(=O)NCCc1c(Cc2cccc(OC)c2)oc2ccc(OC)cc12 13474359 TZCVJUYDRPNHAY-UHFFFAOYSA-N 365.429 3.886 0 1 FHAF O=C(O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3 13532297 DKIHSWCVZDLLIX-LQBOVUBWSA-N 353.462 3.884 0 1 FHAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2cccnc2)O[C@@H]1c1cccnc1 13740455 PWOHCYHMAOOXIW-OTDCRFKXSA-N 354.406 3.691 0 1 FHAF Cc1nc2cccc3c2nc1N[C@H](C)/C=C\C[C@H]1CNC(=O)c2cc-3[nH]c21 150057420 DDQXBYGNFGPJRL-CLZWFORCSA-N 359.433 3.521 0 1 FHAF in-vitro O=C(Nc1cccc2c1C[C@H](O)C2)N[C@H]1CC[C@@H](c2ccccc2F)C1 169704954 CWCHZORHHWEPPM-OWCLPIDISA-N 354.425 3.743 0 1 FHAF O=C(O)CCCN1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1 1857618907 LWHDDWRMDZBFEN-UHFFFAOYSA-N 365.433 3.934 0 1 FHAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnc(-c2ccccc2)s1 117719191 VNCZMBMKODMGRG-QGZVFWFLSA-N 365.458 3.723 0 1 FHAF CN(Cc1cccc(Cl)c1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 8268173 RAWDZHCONBCNRV-UHFFFAOYSA-N 373.909 3.920 0 1 FHAF CCc1ncnc(N(C)[C@@H](C)c2ccc(OC(=O)N(C)C)cc2)c1Cl 28887784 SNFHGRBROXQPOD-LBPRGKRZSA-N 362.861 3.950 0 1 FHAF Nc1sc2c(c1C(=O)c1ccccc1)CCN(C(=O)c1ccccc1)C2 27185294 JDCKRERJFVYOSS-UHFFFAOYSA-N 362.454 3.760 0 1 FHAF CC(=O)O[C@@H]1C[C@](C)([C@H](O)CO)C[C@@H]2CC[C@]34C[C@]3(C)CCC[C@@H]4[C@@]21C 2356494078 QSSODZDQQRKYEP-DOZGXVTPSA-N 364.526 3.684 0 1 FHAF CCN(CC)CCNC(=O)c1cc2cccc(OCc3ccccc3)c2[nH]1 27748300 KFFXIVUKQCIPGD-UHFFFAOYSA-N 365.477 3.819 0 1 FHAF CC(C)C1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(O)c2)NC(=O)N1 73310926 QVODYNNJSQJSRZ-LJQANCHMSA-N 372.465 3.780 0 1 FHAF CC(C)Oc1ncc([C@@](O)(c2cccnc2)c2ccc(Cl)cc2F)cn1 72186479 JKWOWWLZRJZDLN-IBGZPJMESA-N 373.815 3.736 0 1 FHAF CN1CCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1 71329076 FRUMSZUUBXPHHF-UHFFFAOYSA-N 367.880 3.907 0 1 FHAF c1ccc(-c2ncn(-c3ccc4[nH]ncc4c3)n2)c(Nc2ccncc2)c1 87722390 ZVGMBRHWYXRKCW-UHFFFAOYSA-N 353.389 3.949 0 1 FHAF CCN1CC[C@@H](CN(Cc2ccccc2)Cc2cccc(OC)c2)OC1=O 84615013 VHUKWCFPMWOTFS-NRFANRHFSA-N 368.477 3.928 0 1 FHAF CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1 96175686 JBOFKXPHIMGJBJ-UHFFFAOYSA-N 353.813 3.935 0 1 FHAF CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc4ncccc4c3)C2)cc1 149629249 CDPBPHVDEVGRIS-INIZCTEOSA-N 359.473 3.906 0 1 FHAF CN(C)C(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 261130117 KZGZRFUHUPKRGX-YXRTXMTLSA-N 365.304 3.948 0 1 FHAF CSCC[C@H](NC(=O)CCn1c2ccccc2c2ccccc21)C(=O)O 473127398 WGJAHUBTCWNFTC-INIZCTEOSA-N 370.474 3.507 0 1 FHAF CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1cccc(Cl)c1 299820648 DGRGEYSAUCFBTB-IBGZPJMESA-N 369.848 3.658 0 1 FHAF Nc1ccccc1-c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 587249568 CGQJEESZLRCXMZ-UHFFFAOYSA-N 366.222 3.983 0 1 FHAF Cc1csc([C@](O)(Cc2nc3cccc(Cl)c3[nH]2)C(F)(F)F)n1 587093402 DJLFEXLKMDTYCF-CYBMUJFWSA-N 361.776 3.974 0 1 FHAF Nc1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc2ccccc12 587253345 INOYZJGKPJIQKH-UHFFFAOYSA-N 358.445 3.798 0 1 FHAF C[C@@H]1[C@H](CC(=O)O)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587605078 XEDZMYNKZAZEQM-FCQGJPJTSA-N 368.385 3.613 0 1 FHAF Cn1nnc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1C(F)F 587129740 ZZGKKHXEJAYMMN-UHFFFAOYSA-N 362.565 3.712 0 1 FHAF Cn1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587339900 GROGVJPLYNRLAG-ICSRJNTNSA-N 352.365 3.539 0 1 FHAF CCOC(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587042950 WNILZORULVSHOG-MSOLQXFVSA-N 367.474 3.686 0 1 FHAF COC1(C(=O)c2c(CO)oc3cc(Br)cnc23)CCCCC1 587274686 ZAETWOGLVTVFHR-UHFFFAOYSA-N 368.227 3.615 0 1 FHAF Cc1nn(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587697677 ORGAHLGANXMPQZ-WJWGPLDTSA-N 372.669 3.907 0 1 FHAF Cn1cc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc2n1 587579249 CXGAZLUYAFESGB-SIKLNZKXSA-N 372.380 3.982 0 1 FHAF CCn1ccc([C@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587515911 PHUILDISLWKXMA-QYQIINSRSA-N 365.477 3.718 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(C=O)c2)N1 587820800 FJTOZFGALHARJO-XLFHBGCDSA-N 364.214 3.730 0 1 FHAF Cc1ccccc1C(=O)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603157 NAJBFOJXNMNAPT-PGRDOPGGSA-N 360.365 3.914 0 1 FHAF C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)CN1C 587762575 TUAHOALOKBORIT-HBGPKNEHSA-N 355.295 3.678 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C13C[C@H]4C[C@@H](CC(C(=O)O)(C4)C1)C3)O2 587409485 VOEWJPNGGDJIHY-VUBUMQBGSA-N 369.461 3.972 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)c(C)ccc3[nH]2)cc1 586937921 HKOSNLCHFWDMPV-CYBMUJFWSA-N 357.479 3.924 0 1 FHAF CCOC(=O)[C@H]1[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]21 587107276 RKHRTTWIGNMKRP-VOBQZIQPSA-N 355.393 3.895 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cccs2)N1 587845708 FMXXTNHNLXNKON-AYVTZFPOSA-N 370.243 3.512 0 1 FHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cccc(Cl)c3[nH]2)c1 586930110 FUYBTYXPETVPJF-UHFFFAOYSA-N 363.870 3.914 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)ccnc2Cl)N1 587708096 XVEXTYROGHECJA-UOWDBTKRSA-N 370.653 3.842 0 1 FHAF COC(=O)c1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cn1 587227209 WQQNVYTYKTTWIF-OAHLLOKOSA-N 374.441 3.501 0 1 FHAF CCn1c(=S)sc2c(=O)n(CC(=O)c3ccc(Cl)cc3)cnc21 957868984 BPNLFCTVGPTSOG-UHFFFAOYSA-N 365.867 3.545 0 1 FHAF COc1ccc2c(c1OC)[C@@](CCC(=O)O)(c1ccccc1)N(C)[C@@H](C)C2 962623122 IEZVVYYZFAOOLM-OYHNWAKOSA-N 369.461 3.689 0 1 FHAF COC(=O)c1cc(OC)cc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1 963097002 FFNLFYCKENLOCJ-OXJNMPFZSA-N 355.409 3.731 0 1 FHAF O=C(C1=Cc2ccccc2OC1)N1CCC[C@H]1c1ncc(-c2cccnc2)[nH]1 1772622912 CMQPYONNUSPDRN-IBGZPJMESA-N 372.428 3.611 0 1 FHAF CC(=O)c1ccccc1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772604533 AQNQRVIFUSCJFC-SFHVURJKSA-N 350.374 3.854 0 1 FHAF Oc1ccc2c(c1)O[C@H](CNCCCOc1cccc3[nH]ccc13)CC2 12356189 MSCOCRBMEUIKRL-KRWDZBQOSA-N 352.434 3.626 0 1 FHAF Cc1ccc(-c2ccc(C(F)(F)F)nc2)nc1CN[C@@H](CO)C(C)C 204421767 PHRFYXHMHQWDRC-INIZCTEOSA-N 353.388 3.577 0 1 FHAF Cc1ccc(Cc2nc3nc(-c4ccc(Cl)cc4)cc(=O)n3[nH]2)cc1 1857556262 XKTNEPUYOGVUBX-UHFFFAOYSA-N 350.809 3.637 0 1 FHAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccoc1 4153232 HLKCKCFCRDWDSJ-MJGOQNOKSA-N 356.422 3.686 0 1 FHAF Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)no1 6750039 GMAOEZWRMPANRI-UHFFFAOYSA-N 351.387 3.952 0 1 FHAF COc1ccccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1 53204511 DBLLCGSZPIUYPK-UHFFFAOYSA-N 358.507 3.769 0 1 FHAF CC1(C)CC[C@H](N2C(=O)CC(=O)N(CCc3ccc(Cl)cc3)C2=O)C1 101678294 ZVPGTNZAMTXWKJ-HNNXBMFYSA-N 362.857 3.642 0 1 FHAF C/C=C/C(=O)N1CCN(c2nccc(-c3ccc(C(C)(C)C)cc3)n2)CC1 22622693 VSZQBJFVAVSVMK-AATRIKPKSA-N 364.493 3.666 0 1 FHAF CC(C)(C(=O)O)[C@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]1(C)CC(=O)O)[C@@]1(C)O[C@@H]31 100782192 QGTMYAPGXJWNQR-DXWGQHDXSA-N 350.455 3.562 0 1 FHAF endogenous,in-man CCC(=O)N(CCCCCCCN)C1CCN(CCc2ccccc2)CC1 66112564 ZLGWPJAYVXZXFZ-UHFFFAOYSA-N 373.585 3.841 0 1 FHAF COc1ccc(NC(=O)C2=C(C)Nc3n[nH]cc3[C@H]2c2cccs2)cc1 64447619 RUTBPHQNXTXXQF-KRWDZBQOSA-N 366.446 3.950 0 1 FHAF O=C(O)COc1cccc2c1CC[C@@H](C/C=C/[C@@H](O)Cc1ccccc1)C2 26011021 ZHYVXDSUFDWWIN-BURYVCHXSA-N 366.457 3.805 0 1 FHAF CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356717447 ROECGAWNHRGIRN-JKMAKKBCSA-N 364.482 3.539 0 1 FHAF CCOC(=O)[C@H]1CCCCN1Cc1coc(-c2ccccc2OCC)n1 72186579 IFQPPPYLBSKHEO-QGZVFWFLSA-N 358.438 3.658 0 1 FHAF C[C@@H](C(=O)NCCO)c1ccccc1Nc1c(Cl)cccc1Cl 42920810 JFKGYWDDZQSVLS-LLVKDONJSA-N 353.249 3.949 0 1 FHAF O=C1C([C@@H]2c3ccccc3-n3c2nc2ccccc2c3=O)=Nc2ccccc21 14919566 NFORNJHQLPYPPB-IBGZPJMESA-N 363.376 3.800 0 1 FHAF biogenic C[C@H](CNc1ccnc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1)c1ccccc1 45187557 QULNPHKANJCUEA-CYBMUJFWSA-N 360.421 3.605 0 1 FHAF O=C(N[C@H](CO)Cc1ccccc1)c1coc(-c2ccc3ccccc3c2)n1 82075508 FKWHWTRHMGXEBY-FQEVSTJZSA-N 372.424 3.828 0 1 FHAF CS(=O)(=O)N(Cc1cccnc1)c1ccc(-c2ccc(F)cc2)cc1F 96937923 DIMLXAZFUWCAKB-UHFFFAOYSA-N 374.412 3.993 0 1 FHAF CCNC(=O)/N=c1/[nH]c2ccc(-c3ccccc3OC(F)(F)F)cc2[nH]1 95605532 KNAJONCJHKNCIF-UHFFFAOYSA-N 364.327 3.692 0 1 FHAF C[C@H]1CN(c2ccccc2Sc2ccc(O)cc2)[C@H](C)CN1CC(=O)O 261152100 PCQJAOOELCNQMN-LSDHHAIUSA-N 372.490 3.527 0 1 FHAF CCCCCC[C@H]1CC(=O)c2c(OCOC)cc(OCOC)cc2O1 299818635 AGHPFTVSVNTSKW-AWEZNQCLSA-N 352.427 3.956 0 1 FHAF O=C1C[C@@H](c2cnn3ccc(Cl)nc23)Oc2c1ccc1c2CCCC1 587502069 SQAJIZIQJXDNNE-INIZCTEOSA-N 353.809 3.968 0 1 FHAF N=c1[nH]c2c(s1)Cc1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587208525 SXDUHBCBCMRSQU-UHFFFAOYSA-N 355.422 3.810 0 1 FHAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cncc(Cl)c3[nH]2)c[nH]1 587061634 WPUMZXDLOOJMHD-UHFFFAOYSA-N 357.204 3.801 0 1 FHAF CCOC(=O)c1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587442592 RASGQJGFYUJVHQ-IIBYNOLFSA-N 352.386 3.535 0 1 FHAF COc1ncccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587772849 PDQJIUJLGVLOFY-RFAUZJTJSA-N 351.219 3.615 0 1 FHAF C[C@]1(c2ccccc2OCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587521040 HURSGROWMISPBA-JOCHJYFZSA-N 366.413 3.909 0 1 FHAF CCOC(=O)c1c(N)sc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587410800 PUXZVFCHVFJOAK-IBGZPJMESA-N 374.462 3.587 0 1 FHAF Cc1cc(Br)ccc1OCc1nc2ccc(C(=O)O)cc2[nH]1 586981583 QURFSCGBMMZPSG-UHFFFAOYSA-N 361.195 3.911 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3cc(Br)ncc3[nH]2)c1C 587239694 UXPZQEMWSPMLFW-UHFFFAOYSA-N 359.227 3.518 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(C(=O)O)cc1 587872524 ZLTVOHYPQKAMEU-UHFFFAOYSA-N 369.352 3.866 0 1 FHAF COc1ccc(CCCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1OC 587924677 AHGKAUFZVONRRJ-UHFFFAOYSA-N 365.433 3.640 0 1 FHAF CC(=O)Cc1c(-c2ccc(S(C)(=O)=O)cc2)nc2cccc3c2c1CC3 587216553 FHGKSPGQEFIUGL-UHFFFAOYSA-N 365.454 3.535 0 1 FHAF Oc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587003475 VJYOEFXXXGIXQH-UHFFFAOYSA-N 357.211 3.623 0 1 FHAF Nc1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1CC(=O)O 587249387 KOJXAKGCNQEZDJ-UHFFFAOYSA-N 353.275 3.597 0 1 FHAF O=C(O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587607286 HKCSMMQFYUNWNY-PXNSSMCTSA-N 362.337 3.793 0 1 FHAF COc1ccc(S(=O)(=O)CCCC(=O)c2coc3ccccc23)cc1 587281015 OXXGKEJHYMVHNH-UHFFFAOYSA-N 358.415 3.878 0 1 FHAF Brc1nccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587017519 XPJWQXMRQZNDOJ-VIFPVBQESA-N 351.229 3.695 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N(C)C)n2)N1 587753283 HCPODUBJKAOVEH-BMLIUANNSA-N 364.262 3.673 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(F)(F)F)N1 587707067 SJSHNYWKBGLISJ-WPPNPWJKSA-N 368.168 3.859 0 1 FHAF CC(C)N1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587771094 VGSMKEBBWDVHIO-PXAZEXFGSA-N 355.295 3.822 0 1 FHAF C[C@@]1(c2cc(O)cc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612375 UOYSSEMCVDGJRS-NQIIRXRSSA-N 364.353 3.680 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc3C2=O)N1 587816803 DKAPSMUNDVIZGC-XTZNXHDOSA-N 360.226 3.757 0 1 FHAF CC(=O)c1ccc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962761329 HLDYMNJSANIHAO-IUODEOHRSA-N 353.365 3.686 0 1 FHAF CN1CCc2c(Br)cccc2[C@@]12CC[C@@H](C(F)(F)CN)C2 963279306 GQSOYLWKBHAJGH-ABAIWWIYSA-N 359.258 3.526 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](C)CC[C@]12c1ccsc1CCN2Cc1cccn1C 962371731 HLNIFXMBRHGEEI-ZRCAFCQKSA-N 372.534 3.949 0 1 FHAF Cc1c(F)ccc2c1[C@@](C)(CC(=O)Nc1ccc(N(C)C)cc1)NCC2 962377584 RUDJIDDRPRRWCK-OAQYLSRUSA-N 355.457 3.590 0 1 FHAF O=S(=O)(NCC1CC1)c1cccnc1Nc1cccc(C(F)(F)F)c1 1772654384 YVCFNFBJVJMMDU-UHFFFAOYSA-N 371.384 3.532 0 1 FHAF NC(=O)C1CCN(Cc2c(-c3ccccc3)[nH]c3ccnc(Cl)c23)CC1 1772573532 SGKKVEWYKRPIEK-UHFFFAOYSA-N 368.868 3.581 0 1 FHAF CCCOc1c(O)ccc2c1CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 1772612673 PJVALUSGGUHVON-KRWDZBQOSA-N 355.434 3.551 0 1 FHAF CC(C)(O)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12 14961334 AYBYGYLAVPCWLE-UHFFFAOYSA-N 356.332 3.557 0 1 FHAF COc1cccnc1C1CCN([C@@H]2CCCN(c3cccnc3)CC2)CC1 1857547369 WAOZEZNGGRPDPU-LJQANCHMSA-N 366.509 3.724 0 1 FHAF CCOC(=O)[C@@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 13491893 QLYZEQUNVZDFRM-NRFANRHFSA-N 365.473 3.682 0 1 FHAF O=C(c1cccc(Cl)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 13832019 RDWAPDPFQGDCTQ-UHFFFAOYSA-N 368.864 3.924 0 1 FHAF CCCCOC(=O)NCCc1nc(-c2ccc(N3CCCC3)cc2)c[nH]1 28891255 OTYQCJPRAVNWGG-UHFFFAOYSA-N 356.470 3.746 0 1 FHAF CN1CCC(Oc2ccc(C(=O)c3cc4cc(O)ccc4[nH]3)cc2)CC1 66078923 ZKBBAPDCDVDARR-UHFFFAOYSA-N 350.418 3.578 0 1 FHAF COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)O)cc4)nn23)cc1 96282540 WXPWSRBWEWEAMR-UHFFFAOYSA-N 360.373 3.847 0 1 FHAF COc1cncc(-c2cccc(-c3cn4cccc(C(=O)N(C)C)c4n3)c2)c1 96916057 QFGCUWAPBLROSK-UHFFFAOYSA-N 372.428 3.774 0 1 FHAF COc1cc(OC)c2c(N3CCN(C)CC3)cc(-c3ccccc3)nc2c1 98083125 PLIQXFGTHSMWHJ-UHFFFAOYSA-N 363.461 3.671 0 1 FHAF CCC[C@H](OC(=O)COc1ccc(Cl)cc1Cl)[P@@](=O)(O)OC 103182533 STOVNIHJRPLRDZ-CYBMUJFWSA-N 371.153 3.873 0 1 FHAF OC[C@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 138921623 SYIJBYVZCWPAAM-INIZCTEOSA-N 362.433 3.831 0 1 FHAF CC[C@H](C)Oc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1 146658955 VEICCNMVJHBRAF-HNNXBMFYSA-N 367.445 3.524 0 1 FHAF COc1ccc(NC(=N)c2ccccc2)cc1CS(=O)(=O)C1CCCC1 169352384 BJTFMCGKNTUOFD-UHFFFAOYSA-N 372.490 3.990 0 1 FHAF CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc2c(ccn2C)c1 204833365 CRLHPWZXVUFBOB-UHFFFAOYSA-N 366.852 3.972 0 1 FHAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC[C@H](c5ncc[nH]5)C4)c23)c1 210759221 PJPNUCDUTMFJAC-INIZCTEOSA-N 369.432 3.604 0 1 FHAF Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C(N)=O 587105307 XNQQTWWBZUWHAW-UHFFFAOYSA-N 353.381 3.551 0 1 FHAF O=C(O)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349522 GCIJCDHYRJHGCR-QZIMMCEPSA-N 370.376 3.904 0 1 FHAF CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)c(C)c1 587365722 GSRZLFYLCMKQTN-UHFFFAOYSA-N 360.211 3.736 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(COc3c(cccc3OC)C1)CC2=O 587494288 XZZCTUZNLCOBBK-OAQYLSRUSA-N 354.402 3.692 0 1 FHAF CC(C)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587582103 NYZHYIJVCQYYSM-NQIIRXRSSA-N 364.401 3.948 0 1 FHAF CC(C)O[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658146 ICZPBXYAKBUMPJ-CYBMUJFWSA-N 354.381 3.656 0 1 FHAF C/C(=C/[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC1CC1 587740006 CAPLTFICFHMFFS-DWRAQQKGSA-N 353.279 3.993 0 1 FHAF CCc1nn(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587765750 UARSAJZBWGAOPK-ABKXIKBNSA-N 352.251 3.508 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@H](C2)N3C)N1 587773135 JGHFXYIABGSMET-MMPOEDRJSA-N 353.279 3.574 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc(C)c(C)c1C 587871566 JZKMDFNWYBYBQO-UHFFFAOYSA-N 356.401 3.550 0 1 FHAF COc1cc(OC)c([C@@H]2C[C@@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 1772576277 DBXAOTZQZGEQHY-UEJMICMHSA-N 366.429 3.598 0 1 FHAF N=c1c2c([nH]c3ccc(Br)cc13)C[C@@H](C(F)(F)F)CC2=O 1772652638 DNBBCDMFLYCVDB-ZCFIWIBFSA-N 359.145 3.717 0 1 FHAF Oc1nc(N2CCC3(CC2)CNc2cc(Cl)ccc23)nc2c1CCCC2 1857568112 UXQSFPKVNVQHTR-UHFFFAOYSA-N 370.884 3.678 0 1 FHAF CC(=O)O[C@@H]1CCC(=O)[C@@]2(CC(=O)O[C@@H]2C[C@H](C)CCCC(C)C)C1 1857602659 CKEVAWZRDULPIA-ODZKNYGOSA-N 352.471 3.826 0 1 FHAF CC1(C)[C@@H](C(=O)NCc2noc(-c3ccco3)n2)[C@H]1c1ccc(F)cc1 1857641546 UEHKZKUTIYBPIQ-HZPDHXFCSA-N 355.369 3.525 0 1 FHAF Cc1nnc2sc(C(=O)N3C[C@H](c4cccc(F)c4)[C@H]3C)c(N)c2c1C 1857644393 VVSZXIDQYRKLBW-RISCZKNCSA-N 370.453 3.658 0 1 FHAF O=C(NC[C@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1C1CCCCCCC1 2467471 FLJJFLPHXYYLAX-XLIONFOSSA-N 370.493 3.592 0 3 FHAF O=c1sc(N2CCN(c3ccc(Cl)cc3)CC2)nc2ccsc12 2461953 KUWGKNNFWOCJEM-UHFFFAOYSA-N 363.895 3.698 0 1 FHAF O=C1O[C@H]2C=CC=CC2=C[C@H]1C(=O)N1CCS[C@@H]1c1ccccc1Cl 5100270 LRACAJQOFCOBDM-QILLFSRXSA-N 373.861 3.508 0 1 FHAF CCOCCCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 8611104 KWCVUJFPGNHRCO-UHFFFAOYSA-N 352.434 3.769 0 1 FHAF CC1=C(c2ccccc2)S(=O)(=O)N=C1N[C@@H]1CCCc2ccccc21 9286786 SLNOZAYIKFWNKA-GOSISDBHSA-N 352.459 3.827 0 1 FHAF COC(=O)C1=CCC[C@H]2[C@](O)(CC[C@@H](C)[C@]2(C)CC(=O)c2ccoc2)C1 13370422 GBCUXCIKPZPERP-PZQWHJIPSA-N 360.450 3.919 0 1 FHAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@H](c2c(O)cccc2O)O3)O1 13380055 GLRTXWXOVXNDGS-OAHLLOKOSA-N 354.358 3.694 0 1 FHAF biogenic CN1C[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@@H]3C1=O 13983249 PQSIXDAWRTXGGA-SFXHKCFJSA-N 356.554 3.948 0 1 FHAF C/C(=C\CCc1ccoc1)C[C@H](O)C[C@H](C)CCCC1=C[C@@H](O)OC1=O 15222819 HKZBWXTURDYJCE-FJWMDBLJSA-N 362.466 3.908 0 1 FHAF CCc1nnc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)s1 39970381 AGSWDILLWYSYNY-UHFFFAOYSA-N 371.491 3.652 0 1 FHAF C[C@@H](NC(=O)c1nnc(-c2ccccc2N)o1)C12CC3CC(CC(C3)C1)C2 43061094 NUFHQWAYHZSWDV-CSNVJCEJSA-N 366.465 3.654 0 1 FHAF COc1cc(OC)c2c(-c3cc(OC)c(OC)c(OC)c3)cc(=O)oc2c1 49033289 SSJGABPOPXEFGD-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF CCO[P@](=O)(O)[C@@H](CCNC(C)=O)c1ccccc1-c1cccnc1 72108823 RIKJENCFZYNPEC-SFHVURJKSA-N 362.366 3.538 0 1 FHAF Cc1cc(OCCCCN2CCOCC2)nn1-c1ccc2ccccc2c1 95557626 ZATQQSJZHXNMMS-UHFFFAOYSA-N 365.477 3.825 0 1 FHAF C[C@H]1SC2(CCCCC2)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 95564341 XYWHBNHUPXIULS-PGBRGIIUSA-N 362.539 3.858 0 1 FHAF CN(CCOCC[18F])C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 101512315 KBXQOGFSLYHIJB-HXANBQKFSA-N 367.927 3.824 0 1 FHAF CCOCCN(CC[C@H]1C[C@@H]2CC[C@@H]1C2)C(=O)NCCCc1ccncc1 101828260 KRSDJLKUOZHTKR-NJYVYQBISA-N 373.541 3.889 0 1 FHAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccnc(-c2cncnc2)c1 205905309 FDQWXOAYUMKODC-UHFFFAOYSA-N 360.295 3.690 0 1 FHAF C[C@H](O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1-c1cn[nH]c1 223795161 XRCQVMGYIXAQNO-OLZOCXBDSA-N 353.397 3.760 0 1 FHAF CS(=O)(=O)n1c(-c2ccc(Cl)cc2Cl)c(CN)c2ccccc21 231558105 MTMKFBZYRGNPDF-UHFFFAOYSA-N 369.273 3.882 0 1 FHAF in-vitro CC(=O)O[C@@H]1C[C@](C)([C@H](O)CO)C[C@@H]2CC[C@@]34C[C@]3(C)CCC[C@@H]4[C@]21C 238765526 QSSODZDQQRKYEP-MWRXJBPCSA-N 364.526 3.684 0 1 FHAF C/C=C/c1cc(OC)c(OC)cc1C(=O)c1cc(OC)c(O)c(OC)c1 238788257 OXFHUPHQXLDGKO-VOTSOKGWSA-N 358.390 3.691 0 1 FHAF Cc1ccc(N2CCN(C(=O)NC(=N)Nc3ccc(Cl)cc3)CC2)cc1 473145079 BDZLWJXNIOKUMR-UHFFFAOYSA-N 371.872 3.527 0 1 FHAF CCOC(=O)Cc1ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c1 586878514 FTMPIBTYMQNOTQ-NTMALXAHSA-N 350.374 3.537 0 1 FHAF COc1cc(/C=C/c2nc3cccc(C(N)=O)c3[nH]2)ccc1Br 586975751 FQOKWSSRPLVBJM-SOFGYWHQSA-N 372.222 3.603 0 1 FHAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cnnc(O)c4[nH]3)c2)cc1 587068134 ZSOXPKQOHGOJFN-UHFFFAOYSA-N 352.781 3.538 0 1 FHAF O=C(Cc1ccc(Cl)cc1)c1nc2cnc(Br)cc2[nH]1 587070959 IQZFCLMZPPLIDG-UHFFFAOYSA-N 350.603 3.799 0 1 FHAF Fc1cc(F)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 587118138 JUIHVTSTDXOTTM-UHFFFAOYSA-N 369.253 3.760 0 1 FHAF CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(C)cc1 587206456 MULXPDTUZBWXNB-CQSZACIVSA-N 362.355 3.705 0 1 FHAF NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330544 BXAVTIJQYGRSJQ-RBBKRZOGSA-N 363.388 3.744 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn([C@@H](C)C(=O)O)c3ccccc13)O2 587389337 HMZASEMZGJIAMB-BUXKBTBVSA-N 364.401 3.884 0 1 FHAF COCCC[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429126 SRQOQAUHSOSFSI-UTKZUKDTSA-N 356.393 3.904 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(SC(=O)N(C)C)cc1)[C@@H](C2)C3=O 587452310 OEUSGHBBWQUKDE-HNAYVOBHSA-N 369.442 3.958 0 1 FHAF C[C@]1(c2cccc(O)c2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577503 KUKGDLADCSILFR-DYESRHJHSA-N 363.369 3.557 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(C(F)F)c(C(=O)c3cccs3)c2c1 587649331 HWOIOXVOEJNZCB-UHFFFAOYSA-N 355.387 3.802 0 1 FHAF Cc1cccnc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659869 HGNAFPRYFJFPIZ-UHFFFAOYSA-N 359.360 3.595 0 1 FHAF CCOC(=O)C1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587797051 LOQDDCLKTSMLBR-MGPLVRAMSA-N 370.262 3.681 0 1 FHAF O=c1c2ccccc2nc(-n2nc3cc2Oc2ccc(F)cc2-3)n1C1CC1 587876686 VTJVKIFMCXFSPB-UHFFFAOYSA-N 360.348 3.829 0 1 FHAF CCCN1[C@@H](C)Cc2ccccc2C12CCN(CC(=O)OC(C)(C)C)CC2 963259020 QOMSWHCREDDUAF-SFHVURJKSA-N 372.553 3.976 0 1 FHAF O=C(NC[C@@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1C1CCCCCCC1 2467474 FLJJFLPHXYYLAX-PXNSSMCTSA-N 370.493 3.592 0 3 FHAF CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)cc2)C1 15074252 SDSHAWXSIGOFPD-GOSISDBHSA-N 372.488 3.957 0 3 FHAF COc1ccc([C@@H](O)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 61907045 QEVVJOKZUKHOCZ-GOSISDBHSA-N 357.431 3.918 0 3 FHAF CC(=O)N1C[C@]2(CC(c3ccccc3F)=NO2)CN1c1ccc(Cl)cc1 61920886 HWAAMASHXDLYIT-LJQANCHMSA-N 373.815 3.626 0 3 FHAF OCCN(c1ccccc1)c1ncnc2onc(-c3ccc(F)cc3)c12 20941956 QFAWGCLWCXEMFW-UHFFFAOYSA-N 350.353 3.554 0 1 FHAF O=C1c2ccccc2C(=O)N1CCN1[C@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2 27105764 UVQGFDQHVVFXBZ-VBKZILBWSA-N 371.440 3.526 0 1 FHAF CCOC(=O)C1=C(Nc2ccc(Sc3ccccc3)cc2)C(=O)N(C)C1 28003021 YTPNBTOTLNRARN-UHFFFAOYSA-N 368.458 3.539 0 1 FHAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1ccncc1)CCCC3 28968881 CHKXZOMLVXBARM-UHFFFAOYSA-N 362.433 3.638 0 1 FHAF NC[C@H]1[C@@H](c2ccccc2)[C@@]1(C(=O)N1CCc2ccccc21)c1ccccc1 29046907 ZAKNFBUXJCNYEX-QQKQFIJSSA-N 368.480 3.886 0 1 FHAF Nc1cc2c(Nc3ccc4[nH]c(Cc5ccccc5)nc4c3)ncnc2cn1 29206392 HRXDZJIGRRYXTC-UHFFFAOYSA-N 367.416 3.818 0 1 FHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 34212560 JJUQMZALXVFLHF-NPYXNPDCSA-N 372.553 3.768 0 1 FHAF O=C(Nc1ccc([C@H](O)CO)cc1Cl)c1cc2cc(Cl)ccc2[nH]1 40430444 BUIYKRGIULRPHP-MRXNPFEDSA-N 365.216 3.753 0 1 FHAF Cc1ccc(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CN1CCOCC1 45302674 KHXJDDCNFHQWOM-NWSQWKLXSA-N 370.537 3.772 0 1 FHAF CCc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(OC)c1OC 71280582 HVRTZAHLKAYPGW-IBGZPJMESA-N 366.461 3.991 0 1 FHAF COc1cc([C@@H]2C(C)=NN(C(C)=O)[C@H]2c2ccccc2)cc(OC)c1OC 72107714 AISIQWYIYQMEDL-PMACEKPBSA-N 368.433 3.775 0 1 FHAF CCN(CC)C[C@@H](O)COc1ccccc1C(=O)CCc1ccc(F)cc1 73169440 ADBRVNRMJNDWAI-LJQANCHMSA-N 373.468 3.723 0 1 FHAF CN(c1ccccc1)c1nnc([C@H](O)c2cc(F)c(F)c(F)c2)s1 82078816 IODQEHVOUVNROE-CQSZACIVSA-N 351.353 3.805 0 1 FHAF CCC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccccc4F)cc3[C@@H]21 95877855 IUNVSTYRUPPOTA-BSLALVQMSA-N 368.452 3.603 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=NCCO5)CC[C@H]4[C@@H]3CC[C@@H]12 98082693 MCQUWTXHJRSZGA-FEPXJFPZSA-N 358.526 3.895 0 1 FHAF O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1c(F)cc(F)cc12 100018404 REEONIIGSXBECJ-UHFFFAOYSA-N 359.307 3.765 0 1 FHAF Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NC(C)C)cn1 143626029 IZIKZWGTEIYWKS-UHFFFAOYSA-N 369.396 3.901 0 1 FHAF O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1ccncc1 299827978 PPFGARWTFBIDEI-UHFFFAOYSA-N 366.424 3.794 0 1 FHAF Fc1ncc(Br)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587178061 NYMZBVKALSGYJM-UHFFFAOYSA-N 372.100 3.848 0 1 FHAF CCc1ccccc1NC(=O)c1nc2nc(C)c(Br)cc2[nH]1 587241260 RYWVZVWWYBMCIG-UHFFFAOYSA-N 359.227 3.844 0 1 FHAF COC(=O)Nc1ccc(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)cc1 587243312 JGADOVMOBBEGIN-UHFFFAOYSA-N 359.769 3.848 0 1 FHAF C[C@H](n1cncn1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337539 BCCBASAEVITFFX-OPURJYLOSA-N 367.380 3.502 0 1 FHAF CCC[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344886 DDUGFECVQHYNNN-NQIIRXRSSA-N 372.392 3.992 0 1 FHAF CCOC(=O)[C@@H](C)[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 587412215 IEZLQHPTWWXLDB-BLVKFPJESA-N 359.447 3.699 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCC=C(NNc4ccccc4)C1)[C@@H](C2)C3=O 587432016 JLXWIWBZHQLYNQ-AVRDEDQJSA-N 362.429 3.866 0 1 FHAF Cc1nc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587552072 NCHGULQUAUWEND-VQIMIIECSA-N 368.776 3.847 0 1 FHAF Cc1nn(C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552195 OHRXIKGYFZDNAE-QAPCUYQASA-N 370.792 3.790 0 1 FHAF Nc1ccnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552280 PPZKVYDJYJDSAM-YJBOKZPZSA-N 368.776 3.726 0 1 FHAF Nc1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570941 MUDSNZGIGVQFFS-PXNSSMCTSA-N 351.333 3.816 0 1 FHAF CCN1CC[C@]2(C[C@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587757817 BMISDOHHNOVEDL-PSTGCABASA-N 355.295 3.822 0 1 FHAF COc1cncc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587775936 VCKNTPJKHIRQDT-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H](C2)N3C)N1 587777018 YMVIVDHRFFSWHZ-MMPOEDRJSA-N 353.279 3.574 0 1 FHAF CC(C)C1=C[C@]2(CC(=O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 587829965 DFYZRGFMNSKUQF-BMLIUANNSA-N 368.246 3.805 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2C(=O)O)N1 587845392 QXDOKMPIYAPJIV-FUXBKTLASA-N 370.243 3.972 0 1 FHAF COc1ccc(NC(=O)C(=O)c2cn(C3CCCC3)c3ccccc23)cn1 653785900 KBPFHSMBIWVCOI-UHFFFAOYSA-N 363.417 3.981 0 1 FHAF COc1ccc([C@]2(CC(=O)C(F)F)NCCc3cc(Cl)ccc32)cc1 963379306 HDYALSZFJFCDNF-IBGZPJMESA-N 365.807 3.962 0 1 FHAF CC(=O)N[C@@H](C)c1nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)no1 1772615278 KTLYKEGHTQCSBN-LBPRGKRZSA-N 366.377 3.545 0 1 FHAF CNS(=O)(=O)c1cccc(Nc2ccnc(Nc3cccc(C)c3)c2)c1 1772645711 DPVGEDSZVSSAMT-UHFFFAOYSA-N 368.462 3.785 0 1 FHAF Cc1ccc2c(c1)C(=O)N([C@@H](CC(=O)O)c1ccc3ccccc3c1)C2=O 1857750477 QPDMDBVJZJWBTC-IBGZPJMESA-N 359.381 3.960 0 1 FHAF Cc1nnc2sc(C(=O)N3C[C@H](c4ccccc4)[C@H]3C)c(N)c2c1C 1857753796 BLGSHGFWEVNFQT-OCCSQVGLSA-N 352.463 3.518 0 1 FHAF CCN1CCN(c2cc(SC(C)C)nc(-c3ccc(OC)cc3)n2)CC1 631249 IZGSUERWAGXCGI-UHFFFAOYSA-N 372.538 3.795 0 3 FHAF CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)cc1 852733 XVPGMZXAKDYHBL-GOSISDBHSA-N 354.406 3.687 0 3 FHAF CNC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100807979 RZFLKYKMLWACOU-RKMBCSFTSA-N 351.277 3.606 0 1 FHAF COc1ccc2c(c1C/C=C(/C)CO)O[C@H](c1ccc(O)cc1O)CC2 214980551 ZWYKFLRPPQSGJI-PYRHIJQMSA-N 356.418 3.654 0 1 FHAF COCc1c(-c2ccc(O)c(OC)c2)oc2c(O)cc(/C=C/CO)cc12 38962910 VSJXKWCBZNUAQF-ONEGZZNKSA-N 356.374 3.672 0 1 FHAF O=C1C[C@@H](c2ccnc3c(O)cccc23)[C@H](c2ccnc3c(O)cccc23)O1 13379925 SEFQVLVYMCUORS-AOMKIAJQSA-N 372.380 3.966 0 1 FHAF biogenic COc1cc2ncc(C(N)=O)c(Nc3ccccc3Cl)c2cc1OC 40845059 HBWPCUHTARMVOQ-UHFFFAOYSA-N 357.797 3.748 0 1 FHAF O=C(N[C@H](Cc1cccc(Cl)c1)C(=O)O)c1ccc2ccccc2c1 49071153 VGCIKNSFMREEJX-GOSISDBHSA-N 353.805 3.919 0 1 FHAF COC(=O)c1cc2cc(NC(=O)c3ccccc3C(F)(F)F)cnc2[nH]1 146771412 SIUOVOCGMYQPIB-UHFFFAOYSA-N 363.295 3.621 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)[C@H](C)C2)N1 587827425 OQGWIJLZTULTPY-WTHXXZKASA-N 370.262 3.839 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCCCC2)N1 587767912 SDABSQYWGNXKLM-SJKOYZFVSA-N 355.295 3.824 0 1 FHAF COC(=O)c1ccc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2c1OC 587946588 LMBJUEGBOWJDQX-ZDUSSCGKSA-N 366.417 3.639 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@@H](C)NC)CC2=O 587469487 ILNNXZFQCXWCNV-JLCFBVMHSA-N 369.461 3.822 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)(C1CCNCC1)O2 587385825 VMLQVTJGGNURKV-NRFANRHFSA-N 354.425 3.577 0 1 FHAF COc1ccncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587771264 BTVGCPOBJZKKIR-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc(Br)ccc1F)O2 587384262 CJVNUOYJZTXJTH-INIZCTEOSA-N 365.202 3.754 0 1 FHAF CCOc1cc(C=O)c(OCC)n1-c1cc(C)n(Cc2ccccc2F)n1 587944811 IMMILBLZZUIUNH-UHFFFAOYSA-N 371.412 3.780 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1nc(C(F)(F)F)cs1)[C@@H](C2)C3=O 587423888 VZVANRUWHFLPLK-BJOHPYRUSA-N 355.337 3.833 0 1 FHAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587773736 RSYOFQRXISTMJY-JDNHERCYSA-N 351.219 3.615 0 1 FHAF CCOc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587520 NBEXTQQNQIORKH-YLJYHZDGSA-N 363.369 3.889 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCc1ccco1 587867910 QLZPKJZDACIJPO-UHFFFAOYSA-N 365.311 3.839 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nonc23)N1 587796854 QUPGRDCIAPMVSU-ANRSDYALSA-N 362.202 3.748 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4ccccc4C)c1)[C@@H](C2)C3=O 587430456 FZCNNNPFOLSFMZ-JTSKRJEESA-N 360.413 3.852 0 1 FHAF COC(=O)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587809420 RILNEAFHBPZFAX-YOIRWDDOSA-N 370.262 3.681 0 1 FHAF CCc1ccc(C(=O)CCc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)cc1 587957019 PMQIPVAAULBDDG-UHFFFAOYSA-N 366.417 3.736 0 1 FHAF CCOC(=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587154532 AHWUAWWZOZYSRF-UHFFFAOYSA-N 364.174 3.703 0 1 FHAF CSc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587843588 IZYAUBPPDRTLNU-RMLUDKJBSA-N 368.275 3.724 0 1 FHAF CN1C(=O)C[C@H]2CN[C@H](c3ccnc(-c4ccsc4)c3)c3cccc1c32 963021547 HXOYQZVRSYBPES-YCRPNKLZSA-N 361.470 3.953 0 1 FHAF CC[C@]1(C(C)C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963140262 JTDRGLYUDDHEJA-PXAZEXFGSA-N 354.472 3.651 0 1 FHAF COc1ccc(N(C)c2nc(N)nc3c(Cc4ccccc4)c[nH]c23)cc1 1772620415 OINWQMFPLYPJMF-UHFFFAOYSA-N 359.433 3.907 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(C)cc3F)C2)cc1 1772650193 XOIOITLSNQPULW-KXBFYZLASA-N 356.441 3.989 0 1 FHAF COc1cc(-c2oc3c(ccc4occc43)c(=O)c2OC)cc2c1OCO2 14677199 VKSKFMRCZHZMHZ-UHFFFAOYSA-N 366.325 3.952 0 1 FHAF biogenic,in-vitro COc1ccc([C@H]2SCC(=O)N2c2ccc3oc(=O)ccc3c2)cc1 1857606452 SIVGBONSDGNUGI-LJQANCHMSA-N 353.399 3.580 0 1 FHAF COc1ccc(OC)c(NC(=O)C2=C(C)C(=O)OC23CCCCCC3)c1 6933007 XRCBVYNLHMOOIY-UHFFFAOYSA-N 359.422 3.609 0 1 FHAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2ccccn2)cc1 100107951 WIZCESSPHIMACD-BKFWDETESA-N 355.485 3.997 0 1 FHAF O=c1c2ccccc2c(C(=S)NCc2ccc(Cl)cc2)c2n1CCN2 101548227 WMOUFHIUCTVYIN-UHFFFAOYSA-N 369.877 3.546 0 1 FHAF COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OC)c1OC 116167716 MYTIOYQNHMMTNB-UHFFFAOYSA-N 356.205 3.840 0 1 FHAF Cc1ccc(NC(=O)Cc2cs/c(=N\c3ccccc3F)n2C)cc1 29124943 PGJULQAFYVGJSM-QOCHGBHMSA-N 355.438 3.948 0 1 FHAF CC(C)N(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1 100814724 SXQWGNOYOMOACS-UHFFFAOYSA-N 370.836 3.953 0 1 FHAF COC(=O)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356565363 ASEMPYULZYUTQF-HTEXIOIGSA-N 360.494 3.957 0 1 FHAF COc1cc2c(cc1OC)[C@@H](Cc1cc(=O)oc3ccc(C)cc13)NCC2 64564655 BZHDMFUQKIWBBZ-GOSISDBHSA-N 365.429 3.548 0 1 FHAF Cc1c(Cl)cccc1Oc1cccn2c([C@@H]3CCNC(=O)CC3)nnc12 72107571 IXNVHFQLZNCJJN-ZDUSSCGKSA-N 370.840 3.867 0 1 FHAF CCOC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3cccn3CC)cc1)N2 36271208 TUTFNCHCPZEQJC-WERVVEIQSA-N 352.478 3.962 0 1 FHAF Nc1ncc(Cl)nc1CNC(=S)Nc1ccccc1-c1ccccc1 71281321 SRTVMHQDRWLGAR-UHFFFAOYSA-N 369.881 3.866 0 1 FHAF NC(=O)c1ccc(CNC(=O)c2coc(-c3ccc4ccccc4c3)n2)cc1 82081865 NEKHEPOQYRQOMJ-UHFFFAOYSA-N 371.396 3.524 0 1 FHAF COc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@H]1COc2ccc(C)cc2C1 40420783 OMIVWOJQGZNENJ-MRXNPFEDSA-N 363.417 3.584 0 1 FHAF c1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCc2ccccn2)cc1 82179523 UFVSQMCTSGOSKM-UHFFFAOYSA-N 370.460 3.953 0 1 FHAF CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)nn1 49089386 PZVTWWKRIHYSCB-KBPBESRZSA-N 373.382 3.536 0 1 FHAF COc1cccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587044112 ZPVKNMDBYPCWEJ-AWEZNQCLSA-N 359.838 3.880 0 1 FHAF N[C@]1(c2nc3cc(F)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587156810 QCRIMUYAFOLMLN-QLJPJBMISA-N 364.193 3.945 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(N)cc1)[C@@H](C2)C3=O 587432444 LWJARBZUZGAUSI-WMZHIEFXSA-N 357.409 3.969 0 1 FHAF Cn1nccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336754 ALKPHABETPTELN-ICSRJNTNSA-N 352.365 3.539 0 1 FHAF Cc1nn(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587697674 ORGAHLGANXMPQZ-UOWDBTKRSA-N 372.669 3.907 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(Cc4ccccc4)C[C@H]31)O2 587398009 DHNMMXGCZCGDAZ-BOCKYXSRSA-N 362.473 3.823 0 1 FHAF Brc1c(OCc2nc3ncc[nH]c-3n2)ccc2ccccc12 587002662 XZEFEJLZDQIMQE-UHFFFAOYSA-N 355.195 3.799 0 1 FHAF CC(C)COc1cccc(OCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587566135 WYWUVFBZWZQZRL-UHFFFAOYSA-N 366.343 3.937 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn3ccc(Cl)nc13)CC2=O 587462704 RHUYAYYHFKOQPM-OAHLLOKOSA-N 357.797 3.747 0 1 FHAF Cc1csc([C@](O)(Cc2nc3ccc(F)c(C)c3[nH]2)C(F)(F)F)n1 587093796 GXFVCNLHFVXZID-CQSZACIVSA-N 359.348 3.768 0 1 FHAF Cc1ncc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C)c1Br 586979114 GWTNIHNSGLWATR-UHFFFAOYSA-N 358.199 3.586 0 1 FHAF O=S(=O)(/C=C/c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1 586925205 XBBLLXXDGXJXCF-VOTSOKGWSA-N 354.218 3.709 0 1 FHAF COC(=O)c1ccc2nc(CCCNc3cc(C)ccc3OC)[nH]c2c1 587229334 VNTYMKPSUXSTAN-UHFFFAOYSA-N 353.422 3.711 0 1 FHAF COc1ccc(-c2ncc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)cc1 587437075 WKKHUMMYHOXSFQ-DYESRHJHSA-N 374.396 3.650 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c(=S)n2C)N1 587844145 MKCYYJMOMSKCRE-XLKFXECMSA-N 370.291 3.618 0 1 FHAF COCCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574025 AEZRBWDJYJFSHY-GHTZIAJQSA-N 365.385 3.543 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)OC(C)(C)C)[C@@H]1C)O2 587397298 ZNCUPMYDMUFHEY-XCLFUZPHSA-N 360.454 3.701 0 1 FHAF C[C@]1(c2ccncc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330495 BTAZZADMDKUQQU-PZJWPPBQSA-N 364.376 3.783 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(F)cn1 587862518 QJFOIOIHKVPHSL-UHFFFAOYSA-N 365.286 3.800 0 1 FHAF O=C(O)CC[C@@]1(c2ccc(Cl)cc2Cl)NCCc2ccc(O)cc21 963339909 CKNZVERMBYLSCO-SFHVURJKSA-N 366.244 3.953 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccccc1)c1ccccn1 963607865 KPRSJTZSLGBTTE-QMHKHESXSA-N 360.457 3.925 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@@]2(CCCC23CCOCC3)N1)C(F)(F)F 962729864 KDEZOWSYTINEOU-MAUKXSAKSA-N 353.384 3.508 0 1 FHAF Nc1nc(Cl)c([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)s1 962701687 LMAVVELDAANPTO-RNCFNFMXSA-N 369.918 3.971 0 1 FHAF NS(=O)(=O)c1ccc(SCc2ccc(C(F)(F)F)cc2)s1 1772600975 XRXMPNGFKACJMA-UHFFFAOYSA-N 353.412 3.707 0 1 FHAF COc1cccc(-c2[nH]nc3nc(-c4cccc(O)c4)cc(C(=O)O)c23)c1 13363582 BABAIXAETFWQFX-UHFFFAOYSA-N 361.357 3.704 0 1 FHAF C[C@@H]1OC(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@H]1CC[C@H](C(=O)CO)[C@@]1(C)CC3 205829500 ZKSNNZWTKZKEGU-GKLDRWDHSA-N 360.494 3.813 0 1 FHAF O=C(NC1CCCCC1)N[C@H]1CCC[C@H](NC(=O)NC2CCCCC2)C1 13493785 HWRAOPDAPKUDKH-ROUUACIJSA-N 364.534 3.561 0 1 FHAF C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)ncn2C1CCCC1 2933228 ROCBNNBUMWVOPE-INIZCTEOSA-N 354.498 3.756 0 1 FHAF Cc1ccc2c(c1)C[C@@H](N1CCC(c3cccc4c3OCCO4)CC1)[C@@H]2O 13471800 ZASQMEFCWNRHSQ-IFMALSPDSA-N 365.473 3.604 0 1 FHAF COc1ccc(-c2oc3c(OC)c(OC)ccc3c(=O)c2OC)cc1OC 14644625 JKIYOWRAJGPKEC-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF biogenic C[C@@H](C(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]21C 26391575 VFTOBPQVFABRND-XLEGIKGESA-N 359.510 3.963 0 1 FHAF CCOC(=O)c1[nH]nc2c1C[C@H]1[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C 28528208 WMQJMIBEOIXGLX-LYNVYRENSA-N 366.461 3.862 0 1 FHAF COc1ccc(NCCNC(=O)[C@H](CC(C)C)Oc2ccccc2)cc1 28571407 FUZCWYPPEATDPO-FQEVSTJZSA-N 356.466 3.717 0 1 FHAF CC(=O)c1cccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c1 36161239 WUKKQKVUTCVNJH-UHFFFAOYSA-N 370.364 3.780 0 1 FHAF Cc1cccc(NC(=O)Nc2cccc(-c3cnc4ccnn4c3N)c2)c1 40379257 KEWSWIBKSBYPOQ-UHFFFAOYSA-N 358.405 3.931 0 1 FHAF O=C([C@@H]1C[C@@H]1c1ccc(N2CCOCC2)nc1)C12CC3CC(CC(C3)C1)C2 43018893 SUCUNCCEKWWUHL-WBWRFSPCSA-N 366.505 3.807 0 1 FHAF O=C([C@H]1C[C@H]1c1ccc(N2CCOCC2)nc1)C12CC3CC(CC(C3)C1)C2 52566032 SUCUNCCEKWWUHL-SCVCRDHDSA-N 366.505 3.807 0 1 FHAF CCCCC[C@@H](O)CC[C@H]1SCC(=O)N1CCCCCCC(=O)O 59866793 SDYAOZOEQDVQPX-NVXWUHKLSA-N 359.532 3.644 0 1 FHAF Cc1cc(C[C@@H]2NC(=O)NC2=O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 62260351 YQQIKAFMFXBDEB-KRWDZBQOSA-N 368.433 3.675 0 1 FHAF Nc1ccc2c(c1)c(N)nn2C(=O)Nc1ccc(Cc2ccccc2)cc1 66073785 ZNDPIOYAEWRJHZ-UHFFFAOYSA-N 357.417 3.872 0 1 FHAF O=C(CN(Cc1cccs1)C(=O)c1ccccn1)NC1CCCCCC1 66129246 CJJMLELNFWYRLA-UHFFFAOYSA-N 371.506 3.625 0 1 FHAF O=C(CNC(=O)c1csc(-c2ccccc2)n1)NCCC1=CCCCC1 82071883 JSKUDGCGUYTXIY-UHFFFAOYSA-N 369.490 3.547 0 1 FHAF CNc1ncc(C)c(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 84596723 WNXMWTOTNGOLDG-UHFFFAOYSA-N 365.412 3.830 0 1 FHAF CCCn1c(-c2c[nH]c3ccccc23)nc2ccc(N3CCN(C)CC3)nc21 95581796 RTUSIRUALAJMDG-UHFFFAOYSA-N 374.492 3.741 0 1 FHAF CSc1nnc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(C)cc2)n1 103235967 PKNUPUGKNKCISE-UHFFFAOYSA-N 371.487 3.639 0 1 FHAF Cn1cc([C@H](c2ccccc2)c2oc(CO)cc(=O)c2O)c2ccccc21 299827447 FQQJYOTYMKGZAK-FQEVSTJZSA-N 361.397 3.510 0 1 FHAF O=C(NCCO)c1[nH]c2ccc(Cl)cc2c1C1(c2ccccc2)CC1 299833296 RJZRRGFFGPNNAO-UHFFFAOYSA-N 354.837 3.623 0 1 FHAF COc1ccc2c(c1)CC(=O)N2[C@@H](C(=O)Nc1c(C)cccc1C)C(C)C 299865144 NJTYPTKUNUSPKJ-OAQYLSRUSA-N 366.461 3.864 0 1 FHAF CCOC(=O)[C@@H]1[C@@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]21 586990856 GXRHDHWMJRFNLH-NXOUGTEYSA-N 371.392 3.601 0 1 FHAF Cc1cc(Cl)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587005945 BALITWHOYJOLSX-UHFFFAOYSA-N 362.618 3.997 0 1 FHAF CC(=O)n1[nH]c(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1=O 587105646 COYSCLXJNYLUSJ-UHFFFAOYSA-N 369.380 3.572 0 1 FHAF Fc1cc2nc(-c3cncc(I)c3)[nH]c2cc1F 587184622 JNPOLPPNVVGKJZ-UHFFFAOYSA-N 357.101 3.508 0 1 FHAF CCOC(=O)[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587379874 YIYVSUGKSVMZCU-LJQANCHMSA-N 359.809 3.654 0 1 FHAF CC[C@@]1(CC(=O)Oc2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587403819 RQBJWXKVQGMLMH-NRFANRHFSA-N 369.417 3.696 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(O)c(OC)c1)[C@@H](C2)C3=O 587443003 NRAZUQAALGJRHO-BTYIYWSLSA-N 354.402 3.548 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)nc1 587552924 TVDIPWCUQCBQQY-RHSMWYFYSA-N 354.749 3.539 0 1 FHAF CCn1cnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555268 ZPTZSAQXZFZDJD-KDOFPFPSSA-N 370.792 3.965 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncncc1Cl 587653038 BQKJRVOIADIVMG-UHFFFAOYSA-N 370.746 3.774 0 1 FHAF CC(C)N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587765462 CIHWBUACEVPMNK-LBPRGKRZSA-N 355.295 3.822 0 1 FHAF COC1=C(C)OC=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587829259 BORJAKZOLJEREN-FVMDXXJSSA-N 354.219 3.740 0 1 FHAF Cc1c([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)[nH]c2ccc(Cl)cc12 962891420 DUJQLQPAIQRPIX-YJBOKZPZSA-N 358.800 3.957 0 1 FHAF CCCn1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962996657 QBKWEBRVDGBJEV-CZUORRHYSA-N 354.784 3.518 0 1 FHAF Cn1ncc(Br)c1[C@@]1(C)c2c(F)cccc2C[C@@H]2CCCN21 963114386 SYOYHBZYPKEONG-YVEFUNNKSA-N 364.262 3.606 0 1 FHAF CC(C)c1ccc(-c2cc(CN3CCOCC3)nn2[C@@H]2CCCOC2)cc1 1857566369 FFYPIRITVJPOMR-OAQYLSRUSA-N 369.509 3.857 0 1 FHAF COc1ccc(CCN(C(=O)O[C@@H]2CCCN(C)C2)c2ccccc2)cc1 1857591732 BHZGFEFKRNVCQX-OAQYLSRUSA-N 368.477 3.975 0 1 FHAF CC(C)[C@H]1[C@@H]2N[C@H]3O[C@@H]1C[C@@]1(C)[C@H]3CC[C@H]3CCC=C3[C@@]21CCC(=O)O 2356522783 SOIZKWUEDVIFPK-ILUFTDDPSA-N 359.510 3.963 0 1 FHAF CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C)c(C)c1 2382217901 DHLQAEGABGRECV-CJNGLKHVSA-N 358.463 3.515 0 1 FHAF CCOC(=O)c1cc(NC(=O)N2CCCc3ccccc32)c(C)nc1C 3260302 LXSDCEMBKVPWAW-UHFFFAOYSA-N 353.422 3.860 0 3 FHAF Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ocnc2C)cc1C 12745461 UTUDSHWPIGHZMZ-KRWDZBQOSA-N 350.422 3.593 0 3 FHAF C[C@@H](NC(=O)[C@]1(C)CON=C1c1ccc(N(C)C)cc1)c1ccc(F)cc1 769660 OJFAIZGPTNGMIE-SPLOXXLWSA-N 369.440 3.510 0 1 FHAF CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C)c2)c1 1343573 JJQUYOUTODVREX-LJQANCHMSA-N 365.433 3.833 0 3 FHAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 6852901 QLPYHQHJKMTHED-KHBONWNZSA-N 368.514 3.564 0 1 FHAF CCc1nnn(-c2cccc(OC)c2)c1C(=O)N(C)c1ccc(Cl)cc1 103297774 KTZYYOCQWUBXKO-UHFFFAOYSA-N 370.840 3.768 0 1 FHAF CC1=Nc2nnnn2[C@@H](c2ccc(C)cc2)/C1=C(\O)OC1CCCCC1 103531338 MVXBWSUUPTZNKZ-HVESIFNPSA-N 353.426 3.796 0 1 FHAF CC(C)Oc1cc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2n1 100643276 XPDZGZWEBKVBJM-HUUCEWRRSA-N 354.450 3.804 0 1 FHAF O=C1OCCN1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1 68198078 ARBQZRTYZNKOMB-SFTDATJTSA-N 364.445 3.784 0 1 FHAF CCN(CC)Cc1cccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 28333361 RPSNBPHMKGJZHG-NRFANRHFSA-N 369.461 3.732 0 1 FHAF CCn1sc(=N[C](O)NCc2ccccc2)n(-c2ccccc2)c1=S 2356874758 CYTYBLLIRIRVNF-UHFFFAOYSA-N 371.511 3.600 0 1 FHAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1 73166737 KCXHNBVFVBHGSG-LJQANCHMSA-N 373.500 3.985 0 1 FHAF Cn1c(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc2ccccc21 45385131 AZMYNGIYMRISBA-UHFFFAOYSA-N 374.410 3.914 0 1 FHAF CCCC[C@H](CC)C(=O)OC[C@]1(CO)C/C(=C/C2CCCCC2)C(=O)O1 45498466 CLLFPTVUNVEEPH-RHZPECNXSA-N 366.498 3.931 0 1 FHAF CN(C)c1ccc(C(=O)Nc2ccccc2-c2nc3ncccc3[nH]2)cc1 40940186 ACYFGMVZPIHQLF-UHFFFAOYSA-N 357.417 3.943 0 1 FHAF CC1(C)O[C@@]2([C@H]3C[C@@H](CO)C[C@@H](Cc4ccc(O)cc4)C3)CC[C@@H]1[C@@H](N)C2 85543255 KXYOIBBIVWUHEW-SCQFYLGVSA-N 373.537 3.635 0 1 FHAF biogenic,in-vitro C[C@@H]1CN(c2ncc(C#Cc3cc(F)ccc3F)cn2)C(=O)OC1(C)C 143942709 SKRJSCVZKOXECU-GFCCVEGCSA-N 357.360 3.526 0 1 FHAF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2c2ccccn2)n1)c1ccccc1 142152012 MMFFGLOWHPYPTQ-YOEHRIQHSA-N 361.405 3.743 0 1 FHAF COc1cccc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587387380 PMZLSXNZRUMYDY-MHNQQFQPSA-N 352.434 3.522 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCCCN1C(=O)OC(C)(C)C)O2 587393598 JGYJOOVPHOBFDY-DOTOQJQBSA-N 360.454 3.701 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(CO)c2)N1 587829983 ZPXRDJJJKTVCCW-VOJFVSQTSA-N 364.258 3.878 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CC3(C1)CN(C(=O)OC(C)(C)C)C3)O2 587400010 NFYFNRFWIRCITO-QGZVFWFLSA-N 372.465 3.558 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587042527 LGHWZTGMOANVDP-ZCFIWIBFSA-N 361.364 3.739 0 1 FHAF O=C1C[C@@](C(=O)O)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587528280 YNZHHPIBMFAGTN-QFIPXVFZSA-N 361.397 3.992 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc3ccccn23)N1 587767302 AIYIGWUVKHWZSG-QLJPJBMISA-N 360.230 3.860 0 1 FHAF CCOC(=O)[C@H](CC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798593 PBXASHIXQJHSIB-ZMNCSTGQSA-N 372.278 3.927 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OCC)C12CCOCC2 587481257 BBXMXIYUYLPVCN-GHTZIAJQSA-N 360.450 3.654 0 1 FHAF COc1ccnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587771467 LVWBGZDQPHDQPV-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF CN(C)C(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 587081874 XHLITVXVBDYIGF-UHFFFAOYSA-N 370.840 3.519 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cnncc2[nH]1)c1cccc(Cl)c1 587070196 FQOUJRUTGABLQD-ZDUSSCGKSA-N 373.844 3.815 0 1 FHAF Cc1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C 587338236 BXDMLGQJOUEXKV-PZJWPPBQSA-N 366.392 3.848 0 1 FHAF COc1cc2c3c(c1)O[C@](/C=C(/C)N(C)C)(c1ccsc1)[C@@H](C2)C3=O 587450519 FRDCXZQZOCDUOT-JDIRBQESSA-N 355.459 3.865 0 1 FHAF CC(C)(C)OC(=O)N[C@H](c1nc2nc(Cl)c[nH]c-2n1)C1CCCC1 587227507 YPBWJQWBOJSZKI-NSHDSACASA-N 351.838 3.714 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C)(C)C(=O)C2(C)C 587819449 HZCGQHODTFCHHR-VIFPVBQESA-N 354.263 3.953 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2c1 587177395 HKTWHUHILFMDKY-UHFFFAOYSA-N 374.803 3.804 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(cc1N)OCCO3)CC2=O 587473550 XKCWTIYUCRMILU-NRFANRHFSA-N 369.417 3.579 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCCN3CCC[C@H]32)[C@H]1c1ccc(F)cc1 587349889 VXXWDQXNDSCQTA-ONTIZHBOSA-N 367.420 3.887 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2cncn12 587585806 GMIKLGXHNBVKOJ-NQIIRXRSSA-N 358.353 3.743 0 1 FHAF CC[C@]1(c2cnn(C)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583239 UWEZFKJJPYGSDF-GHTZIAJQSA-N 364.401 3.701 0 1 FHAF Clc1cccnc1-c1nc2ccc(I)cc2[nH]1 587064567 DDKLLMZSLBDHTR-UHFFFAOYSA-N 355.566 3.883 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc3[nH]nc(C(=O)O)c23)N1 962941392 DTRXRAGBHKWTSK-VOJFVSQTSA-N 360.417 3.756 0 1 FHAF c1ccc(-c2cccc3c2[C@](c2ccccc2)(c2nc[nH]n2)NCC3)cc1 962668658 ONWMLLWTSUCVMR-HSZRJFAPSA-N 352.441 3.909 0 1 FHAF CCOC(=O)[C@H](Oc1ccc(OC)c2c1C(=O)CCC2)c1ccccc1 5830915 GYTVILXEYRAWPE-HXUWFJFHSA-N 354.402 3.897 0 1 FHAF Oc1ccc2c(c1)O[C@@H](CNCCCOc1cccc3[nH]ccc13)CC2 12356190 MSCOCRBMEUIKRL-QGZVFWFLSA-N 352.434 3.626 0 1 FHAF COc1cc2c(NCc3ccc4c(c3)CCC4)ncnc2c(OC)c1OC 13834089 RBVLYWWMOQTNTG-UHFFFAOYSA-N 365.433 3.756 0 1 FHAF COc1ccc(NC(=O)[C@H]2C(C)=Nc3[nH]ncc3[C@@H]2c2ccccc2)cc1 169724305 LNEHQIIXFLTJKG-OALUTQOASA-N 360.417 3.911 0 1 FHAF CCc1cccc(NC(=O)NCC(=O)N[C@H]2CCCc3ccccc32)c1 200151816 WAUMRZJWFNZHIK-IBGZPJMESA-N 351.450 3.564 0 1 FHAF CC1CCN(S(=O)(=O)c2cccc(-c3cccc(Cl)c3)n2)CC1 201743524 ZCGPPMBYNSBCSY-UHFFFAOYSA-N 350.871 3.823 0 1 FHAF CO[C@@H]1CCC(=O)c2c([C@@H]3CCC(=O)c4c(O)cccc43)ccc(O)c21 1857558982 PGAIASPBYDNKOC-ADLMAVQZSA-N 352.386 3.870 0 1 FHAF Cc1ccc(-c2c([C@H](O)C(=O)O)c(C)nc3cc(-c4ccccc4)nn23)cc1 113882697 PBRWJKYEARJTLN-NRFANRHFSA-N 373.412 3.798 0 1 FHAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccc(Cl)c(N)c2)C1 3273306 QGYKVZQSMOLYSL-BFUOFWGJSA-N 364.873 3.506 0 1 FHAF Cc1ccc2c(c1)nnn2C1CCN(CC(=O)c2ccc(Cl)cc2)CC1 4895358 BGIICOPPZAXIRZ-UHFFFAOYSA-N 368.868 3.913 0 3 FHAF O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncnc2nn3ccccc3c12 28129480 BQWBZBFRJHWSEA-UHFFFAOYSA-N 372.310 3.940 0 1 FHAF CC[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5cc(OC)c(OC)cc45)C(=O)C1)[C@H]32 27886185 UXXBPDIURGYGOJ-AORQJCFHSA-N 368.477 3.866 0 1 FHAF NCCCCc1ccc(CCCCNC(=O)C[C@@H](N)c2ccccc2)s1 28652647 QJILEFBSPQXRJH-HXUWFJFHSA-N 373.566 3.559 0 1 FHAF COCCn1c(C)c(C)s/c1=N\C(=O)c1cc(SC)ccc1Cl 63539564 PNZWDJAFLKBLMT-VLGSPTGOSA-N 370.927 3.929 0 1 FHAF CCOC(=O)C[C@H]1c2ccccc2-n2nncc2CN1CC1CCCCC1 61924178 HNTAWCRCSNTEOO-FQEVSTJZSA-N 368.481 3.658 0 3 FHAF CC(C)Oc1ccc([C@](O)(c2ccc(Cl)cc2)c2cncnc2)cn1 72186101 XCBLQWXEZNDRJP-LJQANCHMSA-N 355.825 3.596 0 1 FHAF CC(C)=CCC[C@@](C)(O)CC(=O)c1cc(O)c(Br)cc1O 13430773 YBJQYGUPGUBPII-MRXNPFEDSA-N 357.244 3.931 0 1 FHAF biogenic C[C@H]1CCC[C@H](C)N1CCN[C@@H]1c2ccccc2OCc2ncccc21 40514682 ATMKCXWXGQDJKI-HOIFWPIMSA-N 351.494 3.916 0 1 FHAF Cc1cccc(C(=O)N[C@@]2(C(=O)O)Cc3ccc(F)cc3C2)c1CC(C)C 43202055 MSOVLVYBZYSIEE-QFIPXVFZSA-N 369.436 3.685 0 1 FHAF CNc1nc(N2CCC3(CCN(C)CC3)CC2)nc2ccc(Cl)cc12 40864554 DXEWHKVKFWXBSK-UHFFFAOYSA-N 359.905 3.637 0 1 FHAF COc1cccc(-c2cccn3nc(Nc4ccc5c(c4)CNC5)nc23)c1 96169847 IICBGMWCBQZMKR-UHFFFAOYSA-N 357.417 3.752 0 1 FHAF Cc1ccc(C(=O)N2c3ccccc3[C@@H](N3CCCC3)[C@@H](O)[C@H]2C)cc1 96941845 LUUPFTFSICTSSR-HBGVWJBISA-N 350.462 3.542 0 1 FHAF CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C)C(=O)c1ccccc12 95568331 SBUVBXLWYJEKGP-XLIONFOSSA-N 355.821 3.524 0 3 FHAF O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccccc2F)cc1 95584791 XPJUZKAYNJYKSQ-UHFFFAOYSA-N 357.406 3.786 0 1 FHAF CC(C)CN1CCN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CC1 95552163 HQTDMSVGXLSYNF-QFIPXVFZSA-N 350.506 3.813 0 1 FHAF CCc1nn2c(=O)cc(-c3ccc(Cl)cc3)[nH]c2c1-c1ccccn1 653681806 OTERZAKNUYQKFJ-UHFFFAOYSA-N 350.809 3.967 0 1 FHAF O=C1O[C@@]2(C(=O)N(c3ccccc3)C(=O)N2c2ccccc2)c2ccccc21 653847625 FBXHJFUSZQBNMH-JOCHJYFZSA-N 370.364 3.683 0 1 FHAF CC(C)(C)OC(=O)N1CC[C@@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587875168 HCHQSKGMTFNCTC-LLVKDONJSA-N 373.384 3.692 0 1 FHAF C[C@H](c1nc2cccc(I)c2[nH]1)n1cc(Cl)cn1 587080324 UIDUTKQKZCUYEJ-SSDOTTSWSA-N 372.597 3.627 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(C)c(C)c1)[C@@H](C2)C3=O 587432798 NBKGLPWIUAJRKV-HTAPYJJXSA-N 365.429 3.847 0 1 FHAF Fc1cnc(Cl)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 587119473 CZILQCMLHHWPSU-UHFFFAOYSA-N 373.741 3.893 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)C=C2Cl)N1 587703105 FTNBCIVZQMVJJY-PSLIRLAXSA-N 357.654 3.857 0 1 FHAF COC(=O)c1cc(Cl)c2nc(-c3oc4c(c3C)[C@H](O)CCC4)[nH]c2c1 586905359 MNUHKFSDFAKNAQ-GFCCVEGCSA-N 360.797 3.941 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2C2CC2)N1 587766383 VVIJACLJEURESY-VVVCHXIZSA-N 364.262 3.823 0 1 FHAF O[C@H](c1ccc(Br)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 586997181 OGFPLIRIXLDLNO-LLVKDONJSA-N 356.582 3.595 0 1 FHAF CCOC(=O)C1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587794806 GRYQEVWVCAVSSE-HWPZZCPQSA-N 370.262 3.681 0 1 FHAF COC(=O)[C@@H]1C(C)=Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586993264 WQXRGIDESFTDDI-MRXNPFEDSA-N 357.365 3.825 0 1 FHAF CCOC(=O)[C@]1([C@H]2CCCCCC2=O)c2ccc(F)cc2C[C@@H]2CCCN21 963102601 NBOCYQNWWRCDSI-LQBOVUBWSA-N 373.468 3.754 0 1 FHAF CN(C)c1ccc(-c2nc3ccccc3c(=O)n2CCc2ccncc2)cc1 13438255 LYGGSNRQNCFMMA-UHFFFAOYSA-N 370.456 3.767 0 1 FHAF Clc1ccc2c(c1)C(NCCN1CCCCC1)=Nc1cccnc1N2 13492094 XJFLPPCWHZCRPU-UHFFFAOYSA-N 355.873 3.946 0 1 FHAF O=c1cc(N2CCOCC2)oc2cc(OCc3ccc(Cl)cc3)ccc12 13676988 UQHGBLJMWRLECD-UHFFFAOYSA-N 371.820 3.862 0 1 FHAF CNc1nc(Nc2ccc(-c3nnc(C)o3)cc2Cl)ncc1Cl 169704352 SBPSUINXAJELEX-UHFFFAOYSA-N 351.197 3.927 0 1 FHAF COc1ccc(-c2c(-c3ccc(NC(C)=O)cc3)noc2CC(=O)O)cc1 1857607077 IAOSJEXFHSRYOC-UHFFFAOYSA-N 366.373 3.603 0 1 FHAF COc1ccc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1F 3814663 VLZYADILQZRSFD-UHFFFAOYSA-N 357.406 3.816 0 1 FHAF CC(=O)OC1=CC2=CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC(=O)[C@]3(S)[C@]2(C)CC1 5976314 AQIYOMKPFQCODB-DTXWBZGDSA-N 374.502 3.807 0 1 FHAF CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCC1CCCCC1 27563838 CKQRWJDENKSDNP-QGZVFWFLSA-N 365.514 3.886 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1cccc([C@@H](C)N(C)C)c1)C2 28335349 GIDXPSSLLTWPAM-XCLFUZPHSA-N 355.434 3.513 0 1 FHAF c1ccc(CNCc2ccc(CN[C@@H]3CCCc4cccnc43)cc2)nc1 49087582 NVQPVMGRKSAJCF-JOCHJYFZSA-N 358.489 3.934 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](C(=O)O)C2(C)c3ccccc3C1(C)c1ccccc12 68572271 GZXZKFKOUWYUNH-HTAFUYNTSA-N 350.414 3.506 0 1 FHAF biogenic COc1ccc2nnc3c(C)nc(-c4cc(OC(C)C)ccc4F)n3c2n1 84671993 RKUIPXGCZJXODZ-UHFFFAOYSA-N 367.384 3.583 0 1 FHAF c1ccc(COc2ccccc2[C@@H](Nc2ccccc2)c2nnn[nH]2)cc1 103262912 IJYQXJRSRZAAPQ-HXUWFJFHSA-N 357.417 3.980 0 1 FHAF CN(C)Cc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114336282 YKVGSJWLOZXWNB-OAQYLSRUSA-N 363.509 3.701 0 1 FHAF CC1(C)[C@H]2CC[C@]1(C)[C@@](C)(NC(=O)[C@H]1CC(=O)N(C3CCCCC3)C1)C2 195205771 UCFMNAYGTGRZRO-QDGJQWLKSA-N 360.542 3.889 0 1 FHAF COc1ccc(-c2nc3cc(C(=O)O)nn3c(O)c2C2CCCCC2)cc1 253676617 HIFFVEZKQHTXBW-UHFFFAOYSA-N 367.405 3.856 0 1 FHAF NC(=O)c1cc(-c2ccccc2)sc1NC(=O)NCc1ccccc1 299860851 HIGYIYKULRKWNM-UHFFFAOYSA-N 351.431 3.836 0 1 FHAF O=S(=O)(/C=C/c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1 586924436 QHGCQZACTPMIQU-CMDGGOBGSA-N 368.336 3.906 0 1 FHAF CCCS(=O)(=O)N1CCC(c2nc3cc4ccccc4cc3[nH]2)CC1 586953718 YMNZSRLQJPLNFA-UHFFFAOYSA-N 357.479 3.635 0 1 FHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cncc(Br)c2[nH]1 587068822 FHLPWRNXGWHRAH-JTQLQIEISA-N 365.662 3.659 0 1 FHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587114612 VICOUIDIPTZHKY-WFASDCNBSA-N 363.343 3.548 0 1 FHAF COc1nccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 587172350 GIQUYIXIERHHIW-UHFFFAOYSA-N 368.343 3.562 0 1 FHAF Cc1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2n1 587198407 IXBQGUIYAYFKKS-UHFFFAOYSA-N 357.417 3.792 0 1 FHAF O=C(O)C[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348138 CJVSLXSPYMFOFA-DRAMBROLSA-N 370.376 3.904 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(=O)c1ccccc1Br)O2 587377085 KVHDSPGPTWYQDB-OAHLLOKOSA-N 360.207 3.556 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1F)(C1CCN(C)CC1)O2 587384435 DDIOKJMXRIMRPP-JOCHJYFZSA-N 368.452 3.919 0 1 FHAF CCN(C)C(=O)Oc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587388129 WQOHTKSMBWEUCE-NRFANRHFSA-N 368.433 3.908 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(O)cc1)(c1ccccc1O)O2 587402806 CMQCHKROUNSAQI-JOCHJYFZSA-N 361.397 3.897 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(Br)nc1)CC2=O 587458454 JGIDTAUUHHVCHD-AWEZNQCLSA-N 363.211 3.604 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ncc1C(=O)O)CC2=O 587463613 YXQHXVGZSWZLLR-OAHLLOKOSA-N 361.781 3.798 0 1 FHAF CO[C@H](c1cncs1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619867 VGBKBWHHCVITOS-ATZDWAIDSA-N 369.398 3.567 0 1 FHAF COC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2cccc(F)c12 587635086 GSSNGBJZXZAAGE-UHFFFAOYSA-N 356.353 3.520 0 1 FHAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(O)c3N)c([C@@H](N)C(=O)O)c2c1 587642894 PRSAVXZVHSTCHU-XTZNXHDOSA-N 353.422 3.721 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nccn3c2)N1 587775629 SNRAJPCTWMHIDM-BMLIUANNSA-N 360.230 3.860 0 1 FHAF COC(=O)[C@H](C)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587805160 GZPZPHXOGPFQBF-XIZWVBILSA-N 358.251 3.537 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2occc2C(=O)O)N1 587826588 FHCVJYOKPFWALG-FUXBKTLASA-N 354.175 3.503 0 1 FHAF COC(=O)c1coc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587827764 KVAVGZUWKADIEB-ANRSDYALSA-N 368.202 3.591 0 1 FHAF CN(C)c1cccc(-c2cn3c(NC(=O)c4ccccc4)cnc3cn2)c1 653671219 LHWDVCRUWOHPJG-UHFFFAOYSA-N 357.417 3.715 0 1 FHAF Cc1noc(C)c1[C@@H]1C[C@@](C)(c2cc(N)cc(F)c2F)NC(=N)S1 653859672 MENYBZSCSAVYMM-LRDDRELGSA-N 352.410 3.770 0 1 FHAF CCOC(=O)c1csc(-c2csc(-c3csc([C@@H](C)O)n3)n2)n1 1772579258 IEUQMWGXSWGTLQ-SSDOTTSWSA-N 367.477 3.620 0 1 FHAF Cc1cc2nc(N3CCNCC3)n(Cc3ccc(Cl)cc3)c2cc1C 1857763372 NNQCCWMIYYFHCD-UHFFFAOYSA-N 354.885 3.764 0 1 FHAF CC1=C[C@H](CNCc2cccnc2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356318379 LGUDFBPLFTXUMY-VAMGGRTRSA-N 354.498 3.960 0 1 FHAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccsc1 775733 ULNGEJKWLZHWSH-WCQYABFASA-N 350.484 3.837 0 1 FHAF CCCCNC(=O)c1cn(C(CC)CC)c(=O)c2cc(OC)c(OC)cc12 63539582 WDKDZAISMRAXQL-UHFFFAOYSA-N 374.481 3.910 0 1 FHAF Clc1ccccc1-c1nc(CN2CCN(c3ccccn3)CC2)co1 64399377 CTPJJCAIYARCBP-UHFFFAOYSA-N 354.841 3.712 0 1 FHAF CCCCS(=O)(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12 35190821 GATRQFVCWCSBHE-UHFFFAOYSA-N 369.918 3.752 0 1 FHAF CC(=O)N1CCC[C@@]1(CCc1ccccc1)C(=O)OCc1ccccc1 49067523 GMCIEQJAXHIEFJ-JOCHJYFZSA-N 351.446 3.744 0 1 FHAF CC(C)n1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)ccc1=O 72106066 LSEZBLNGHQSXOW-QGZVFWFLSA-N 355.482 3.744 0 1 FHAF COc1ccc(C2=NO[C@@H](Cc3ccc4c(c3)OCO4)CC2)cc1OC 40914206 FFXGVTJIPZPTDJ-OAHLLOKOSA-N 355.390 3.558 0 1 FHAF O=C(C(=O)N1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccc(O)cc12 40861339 LIBJAJAOUAVCKG-UHFFFAOYSA-N 362.429 3.538 0 1 FHAF OC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1 40919093 QEEKSUQXDWTJIW-UHFFFAOYSA-N 370.474 3.924 0 1 FHAF Nc1nc2ccc(-c3ccc(F)cc3)nc2n(CC2CCCCC2)c1=O 43120127 BFNPJAQSOHVLRB-UHFFFAOYSA-N 352.413 3.760 0 1 FHAF CCOc1cc(/C=C2/CCNC2=O)cc(CSc2ccccc2)c1O 40949560 JJABWYFSIMYYRT-GDNBJRDFSA-N 355.459 3.987 0 1 FHAF NC(=O)c1cccc(-c2cc(O)cc(OC(=O)NC3CCCCC3)c2)c1 96273130 SVYQXUKEUSEONO-UHFFFAOYSA-N 354.406 3.579 0 1 FHAF CC(C)=C1OC(=O)C(c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1 96929028 VUHWGHRSFUGRNL-UHFFFAOYSA-N 354.427 3.852 0 1 FHAF Nc1ccccc1NC(=O)NCCCNCc1cc(Cl)cc(Cl)c1 95572663 BMJXULJVUYCAJY-UHFFFAOYSA-N 367.280 3.877 0 1 FHAF Cc1nn(CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1[C@@H]1[C@@H](C2)C1(C)C 104231184 NQHRPUQJUPOLDQ-ABBCLPKBSA-N 355.526 3.914 0 1 FHAF biogenic CCCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(C)C 653738915 QLDVGUCECISROX-UHFFFAOYSA-N 360.479 3.534 0 1 FHAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 587027677 ZZOWPTVHUDNTSK-UHFFFAOYSA-N 373.459 3.582 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(COc3c(cccc3OC)C1)CC2=O 587494281 XZZCTUZNLCOBBK-NRFANRHFSA-N 354.402 3.692 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1CNC(=O)OC(C)(C)C)O2 587386447 JEDBLQBTTSVWQT-ZUOKHONESA-N 360.454 3.606 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 586983112 VSHOXTDBZWABKG-CQSZACIVSA-N 359.183 3.529 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C3CC3)nn2C)N1 587765357 SYMHJEAQKTZLEZ-HUTHGQBESA-N 364.262 3.823 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccnc(OC)c13)CC2=O 587479924 DHUSAVZCQCGNEY-QGZVFWFLSA-N 352.390 3.936 0 1 FHAF Cc1csc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587276526 RQRRXTALUXJAQA-UHFFFAOYSA-N 352.209 3.684 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(Cl)cc1)O2 587380378 UBLISVPTSKOUML-LJQANCHMSA-N 358.825 3.983 0 1 FHAF COc1cncc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586975398 FRSWGMBGFFPMIC-UHFFFAOYSA-N 368.618 3.961 0 1 FHAF Fc1cc2c(c(Cc3nc4cc(Cl)nc(Cl)c4[nH]3)c1)OCOC2 587171723 RSVRKDRBJWFKIU-UHFFFAOYSA-N 354.168 3.861 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(OC)cccc1OC 587870466 KDXZHRKZHGWPQR-UHFFFAOYSA-N 370.380 3.794 0 1 FHAF COC(=O)[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993734 ZWXPIYWGMJCYFW-CQSZACIVSA-N 359.381 3.745 0 1 FHAF COc1cc(OC)c2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cnc2c1 587395385 QPEQNMMPZCZHGK-LJQANCHMSA-N 364.401 3.849 0 1 FHAF NC(=O)c1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587137890 QWIKTSHMHYUPIP-UHFFFAOYSA-N 368.593 3.884 0 1 FHAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cc(F)cc(F)c1)[C@@H](C2)C3=O 587428510 NMJCGHGWAVHIPN-YANDHHFUSA-N 371.383 3.692 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2C12CCN(c1nc(C)cc(O)n1)CC2 963243942 UMZYERBNLUMIJT-QGZVFWFLSA-N 366.509 3.643 0 1 FHAF CC1(C)Cc2nc(O)c(C(=O)O)cc2[C@@]2(C1)NCCc1cccc(Cl)c12 963391451 TXSGTRNNFGYSHS-HXUWFJFHSA-N 372.852 3.501 0 1 FHAF CC(C)[C@@H](O)c1nc(-c2nc(-c3nc(CO)cs3)cs2)cs1 1772594320 VGTYTQXSCGPUDT-LLVKDONJSA-N 353.494 3.572 0 1 FHAF O=c1cc(N2CCOCC2)oc2ccc(/C=C/c3ccc(F)cc3)cc12 13677095 MGIIGLFUKQWDHF-OWOJBTEDSA-N 351.377 3.939 0 1 FHAF in-vivo COc1ccc(OC)c(-c2noc(Nc3ccc(OC)c(OC)c3)n2)c1 15770798 VSHQCPXKMLYKBC-UHFFFAOYSA-N 357.366 3.515 0 1 FHAF C[C@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3nccn4nccc34)cc21 1857535635 KCWMSMLVWXXGFU-JOCHJYFZSA-N 354.413 3.849 0 1 FHAF COC(=O)c1ccc2nc(-c3cnc(C)[nH]3)c(NC3CCCCC3)n2c1 1857568580 ALJSMYHJEFJBDA-UHFFFAOYSA-N 353.426 3.564 0 1 FHAF OCc1c2c(cc3c1CC1(C3)Cc3cc4c(c(CO)c3C1)CCC4)CCC2 1855674 XNIYUUPFNWOLGD-UHFFFAOYSA-N 360.497 3.532 0 1 FHAF Cc1ccccc1CC[C@H]1CCCN(C(=O)CN(C)Cc2cccnc2)C1 12320364 NSJHTNKRRBJZJI-HXUWFJFHSA-N 365.521 3.693 0 1 FHAF CC(C)NC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681843 OHQDRZHZEKGJSZ-QKZKXAEISA-N 369.505 3.958 0 1 FHAF O=C(O)COc1cccc2c1CC[C@H](C/C=C/[C@@H](O)Cc1ccccc1)C2 26011035 ZHYVXDSUFDWWIN-VSBVHZHQSA-N 366.457 3.805 0 1 FHAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccc(C)cc32)c(N)c1OC 26667299 NDUBEMBIKKGWMG-KRWDZBQOSA-N 351.450 3.505 0 1 FHAF COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(C)C 35001654 LIQPCMQDIBZBQZ-UHFFFAOYSA-N 366.392 3.979 0 1 FHAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cccs2)n1 84671481 HNSQYHZQAVDPGG-UHFFFAOYSA-N 370.503 3.534 0 1 FHAF C[C@@H](Nc1c(Nc2ccnc(-c3ccncc3)c2)c(=O)c1=O)c1ccccc1 100081694 NXGZIQMPMGIFQK-CQSZACIVSA-N 370.412 3.656 0 1 FHAF CCOCCN(CC[C@@H]1C[C@@H]2CC[C@@H]1C2)C(=O)NCCCc1ccncc1 101828253 KRSDJLKUOZHTKR-NJDAHSKKSA-N 373.541 3.889 0 1 FHAF NC1=N[C@]2(CO1)c1cc(C3=CCCCC3)ccc1OC1(CCC1)C21COC1 149415418 GTVHCOSZWNNPFK-JOCHJYFZSA-N 366.461 3.516 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1-c1ccccc1 222532826 YTBNWMZWTXFXLR-UHFFFAOYSA-N 354.413 3.886 0 1 FHAF CNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1c(C)n[nH]c1C 299831247 YEYGPCHTBLMDJF-UHFFFAOYSA-N 370.438 3.511 0 1 FHAF O=C(O)[C@H]1CC[C@H](Nc2ncnc3ccc(-c4cncs4)cc23)CC1 299851998 LVKIZZWITJCZAO-AULYBMBSSA-N 354.435 3.809 0 1 FHAF COC(=O)c1ccc2nc(-c3sc(Br)nc3C)[nH]c2c1 587010596 DFIGORJTLMRRNF-UHFFFAOYSA-N 352.213 3.544 0 1 FHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Cl)nc3[nH]2)cs1 587014540 SLCGUPBHQWOWQS-UHFFFAOYSA-N 365.846 3.760 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587042550 LVPOABOBGASIBM-JTQLQIEISA-N 369.393 3.505 0 1 FHAF N[C@H](Cc1nc2cc(Br)cnc2[nH]1)c1ccccc1Cl 587057801 RRPYOHQURGDFSJ-LLVKDONJSA-N 351.635 3.616 0 1 FHAF CCOC(=O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 587091294 IBJPPAAAXKMHLC-UHFFFAOYSA-N 365.311 3.743 0 1 FHAF Cc1csc([C@](O)(Cc2nc3ccc(Cl)cc3[nH]2)C(F)(F)F)n1 587094106 KDWHYNKZLVMDOL-CYBMUJFWSA-N 361.776 3.974 0 1 FHAF O=NCc1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cc1 587191238 WJWDDXYFCXJPHW-UHFFFAOYSA-N 369.324 3.790 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(C3(NC(C)=O)CCC(C)CC3)nc2c1 587234361 KIDBFLRXHTVPHM-UHFFFAOYSA-N 363.845 3.544 0 1 FHAF Oc1nc(O)c2cc3c(nc2n1)CC[C@H](c1cccc(C(F)(F)F)c1)C3 587368534 SHSNFSKLDRTHKN-JTQLQIEISA-N 361.323 3.727 0 1 FHAF CCOc1c(OC)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587443540 WDOXSLOXXDVGIZ-VLIAUNLRSA-N 370.401 3.600 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3ccc(OC)cc13)CC2=O 587483865 MPTOIOJFUCTBCV-SFHVURJKSA-N 352.390 3.936 0 1 FHAF COC(=O)[C@H](C)n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512314 MWDAYGZABLREKC-DJJJIMSYSA-N 353.418 3.807 0 1 FHAF CCOC(=O)[C@H](CCOC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524493 RMBUJHJMWHWUDO-LAUBAEHRSA-N 360.450 3.505 0 1 FHAF Nc1cc(Cl)ncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551693 IOXWQPSXAHVDOQ-APWZRJJASA-N 368.776 3.726 0 1 FHAF COCc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587609117 BQOHDXLYQLRVKC-MAUKXSAKSA-N 369.398 3.698 0 1 FHAF O=C(COc1ccc2ccccc2c1)n1ncc2ccc(Cl)cc2c1=O 587652379 QEZKXFGKGLHNDV-UHFFFAOYSA-N 364.788 3.922 0 1 FHAF Cc1cn2c(n1)[C@]1(CC=C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587775789 UEMOVJBJNOMQAT-DYZYQPBXSA-N 362.246 3.745 0 1 FHAF CCC[C@]1([C@H](C)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587803358 ABBORQOGXNAAPO-CZIZLABSSA-N 372.278 3.927 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)O)o2)N1 587827202 IHQBVFCLYPDZMG-VPTHRUTESA-N 368.202 3.677 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2C(=O)O)N1 587844364 NGXOIGXKAKRHNN-UHLUBPPHSA-N 370.243 3.972 0 1 FHAF Cc1c(O)ccc2c1[C@]1(C[C@@H](C(C)C)c3ccccc31)N[C@H](C(=O)O)C2 963491423 NPXJFKZNNBABGO-SGXKBVARSA-N 351.446 3.686 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1nc2cc(C)c(C)cc2[nH]1 963614148 WGIQBOJMJIZKNJ-RNODOKPDSA-N 351.450 3.821 0 1 FHAF COc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2ccoc12 1857574183 MCEQRBNROXJSLR-UHFFFAOYSA-N 374.400 3.670 0 1 FHAF O=C(O)COc1ccc(OCc2ncc(-c3ccccc3)s2)cc1F 1857582696 HGPGJOALZXWZIA-UHFFFAOYSA-N 359.378 3.992 0 1 FHAF CCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC 8762977 UWPKWVPINCHYSS-UHFFFAOYSA-N 367.449 3.784 0 3 FHAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2OP(=O)(O)O 6202618 BBWXLCKRYRQQPL-JCECYMMASA-N 352.367 3.726 0 1 FHAF Fc1ccc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(Br)cc2)cc1 100087876 VDFDMHVAVYFOKJ-BCDXTJNWSA-N 361.258 3.528 0 1 FHAF CCOC(=O)c1ccc(NC(=O)N2C[C@H]3CCCN3c3ccccc32)cc1 8602764 BYUMTFJNTQXHTI-QGZVFWFLSA-N 365.433 3.884 0 1 FHAF CCN(CC)CCN1CCC2(CC1)Oc1ccccc1[C@@H]2n1cccc1 29313371 CVLVGRLWXYPQHI-NRFANRHFSA-N 353.510 3.646 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccccc1Cl 100703058 GUASGNVYEZEVSS-IEMQHYRPSA-N 361.785 3.585 0 1 FHAF N=C(N)c1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1 62241661 MOJKOMGMXWANEO-UHFFFAOYSA-N 359.385 3.588 0 1 FHAF COc1c(-c2nc(-c3cccnc3)c(C)[nH]2)cc2[nH]c(O)nc2c1Cl 100047156 VBMJGFZSZNAUNQ-UHFFFAOYSA-N 355.785 3.691 0 1 FHAF CCN1CCc2sc3nc(SC)n(-c4ccccc4)c(=O)c3c2C1 28949386 FUKDEMMXLQJBSC-UHFFFAOYSA-N 357.504 3.547 0 1 FHAF COc1cc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)cc(OC)c1O 23373854 XXZVIEBEEKZNFA-LJQANCHMSA-N 370.493 3.506 0 1 FHAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@H]12)[C@](C)(O)C3 2356440749 OSXQLEITCURIQP-HEEHBEPISA-N 364.526 3.684 0 1 FHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@@](C)(OC=O)CCC[C@]12C 2356611759 JOEMUKDFVFJYNY-RQUKQETFSA-N 364.482 3.946 0 1 FHAF CC[C@@](C)(Oc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1)C(=O)O 27524337 SQCQTZXIUPJUKI-JOCHJYFZSA-N 367.445 3.989 0 1 FHAF CCCCOC(=O)[C@]1(Cc2ccccc2)OC(=O)C(=Cc2ccccc2)O1 2356738203 CTSYOHDUKYEQBK-QFIPXVFZSA-N 366.413 3.883 0 1 FHAF CCCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 40393009 GYIPCSNGCWSESD-INIZCTEOSA-N 374.861 3.826 0 1 FHAF Cc1ccc(-c2ccc3nnc(C(=O)N(C)[C@H](C)c4ccco4)n3n2)cc1 199403422 CKSCDZCEBBGIHB-CQSZACIVSA-N 361.405 3.526 0 3 FHAF C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 49785323 WGILEDPBANVMMK-HOGDKLEQSA-N 355.800 3.690 0 1 FHAF COc1ccc(C(=O)CSc2cnnn2C2CCCCC2)cc1OC 49034409 VVFHDKYQHUAKIU-UHFFFAOYSA-N 361.467 3.776 0 1 FHAF O=C1NC[C@H](c2cccc(N3CCCCC3)c2)N1c1ccn2ccnc2c1 145035840 NGIOPDXVBDVWDU-LJQANCHMSA-N 361.449 3.596 0 1 FHAF CN(C(=O)c1ccc(C(F)(F)F)c(OC[C@@H]2CCCO2)n1)C(C)(C)C 146388993 OTUHUXGJAQHLLR-NSHDSACASA-N 360.376 3.529 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(Cn1nc(Cl)nc1Cl)CC2=O 587463017 UNONUQLTLWDODY-INIZCTEOSA-N 370.236 3.667 0 1 FHAF Cc1nc(Br)sc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 587012426 XZLOTUQPUHMQGN-UHFFFAOYSA-N 356.176 3.595 0 1 FHAF COc1ccc(OC)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1OC 587927539 WDDCEJISPLNLHP-UHFFFAOYSA-N 353.300 3.670 0 1 FHAF Cn1cnc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587580691 YYHALKBSYCZGER-SIKLNZKXSA-N 372.380 3.982 0 1 FHAF COC(=O)[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354844 VYNCJQUPYZGSOI-GIWSNZPPSA-N 370.376 3.602 0 1 FHAF COc1cncc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587016462 BCMJKQPKXUSFKH-UHFFFAOYSA-N 374.429 3.804 0 1 FHAF CC(C)(C)Oc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(N)cc1F 587136111 KCBWZGQPRXOOPI-UHFFFAOYSA-N 369.322 3.889 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 586917178 RERODFGZNHYXSE-DJKXOVBDSA-N 364.405 3.503 0 1 FHAF Oc1nc(S)nc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587077108 QYIVJXUUNJSUDK-UHFFFAOYSA-N 355.810 3.730 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@H]3CC4(C[C@@H]3C1)OCC(C)(C)CO4)O2 587406211 AFSGCHGCBDZHFX-GJZGRUSLSA-N 371.477 3.871 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC)c2ccc(F)cc21 587472851 WCNYFBMWMJNXFQ-OAQYLSRUSA-N 369.392 3.711 0 1 FHAF C[C@@]1(c2ccncn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347116 OHSQENVXLZXUBS-QUCCMNQESA-N 350.349 3.596 0 1 FHAF Oc1nc(O)c2ccc(-c3cc4cc(Br)ccc4o3)nc2n1 587365793 HHQFKDGWAOVDNB-UHFFFAOYSA-N 358.151 3.612 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](NC(=O)OC(C)(C)C)C1)O2 587389482 KSDWZTHMQKLMDM-XCLFUZPHSA-N 360.454 3.749 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(Br)[nH]2)N1)C(F)(F)F 962761174 GVRZKXKOJZPOEH-YPMHNXCESA-N 373.172 3.512 0 1 FHAF CC1(C)C=Cc2c(O)cc3c(c2O1)[C@H]1Oc2cc4c(cc2[C@@H]1CO3)OCO4 13378614 SAYHRUJEFVKWNL-BUXKBTBVSA-N 366.369 3.915 0 1 FHAF biogenic CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)N1CCCCC1 13747576 LUVMUNJCJKSOLJ-UHFFFAOYSA-N 368.499 3.753 0 1 FHAF Nc1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4ccccc4)c3O)cc2n1 14953812 LRAPBBCHAVKQTM-UHFFFAOYSA-N 359.385 3.812 0 1 FHAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)s1 169371996 AZGJPBSOUXXLFR-NXRNKYCISA-N 368.296 3.550 0 1 FHAF COc1ccccc1CNc1nc(C)cc(Nc2cc(C3CC3)[nH]n2)n1 203007998 OWRQOTVKDYLBHJ-UHFFFAOYSA-N 350.426 3.750 0 1 FHAF O=C(Nc1ccc2sc(CO)nc2c1)c1ccc(Br)cc1 6716502 MHVSAELPPKNZMK-UHFFFAOYSA-N 363.236 3.803 0 1 FHAF CCOC(=O)c1cccc(NC(=O)c2oc3c(c2C)-c2[nH]ncc2CC3)c1 6748361 KWLMYTIAHBLLNP-UHFFFAOYSA-N 365.389 3.506 0 1 FHAF Oc1cc(-c2ccccc2)nc2nc(NCc3ccc(Cl)cc3)nn12 6752699 MRLCUQUQJXNPJU-UHFFFAOYSA-N 351.797 3.762 0 1 FHAF NC1CCN(C(=O)CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 13585484 MTOMEIDJINPCIW-UHFFFAOYSA-N 358.432 3.827 0 1 FHAF COC(=O)c1cccc(Nc2[nH]nc3c2Cc2cc(OC)c(OC)cc2-3)c1 13677847 SMLHMBXAZLBCAX-UHFFFAOYSA-N 365.389 3.528 0 1 FHAF CN1CCN(c2nc3cc(OCc4ccccc4)ccc3n3cccc23)CC1 13801477 FEXXHVHOVHFZQF-UHFFFAOYSA-N 372.472 3.818 0 1 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@H]1C[C@@H](C)C(=O)C3 26716000 JKRWGJJCQQNKLV-IAZMWKBYSA-N 353.506 3.979 0 1 FHAF CC(C)N(CC[C@@]1(c2ccccc2)C(=O)N[C@H](C)N2CCCC[C@H]21)C(C)C 28755264 FEKYBEXKIPSLIU-RRPUWOKSSA-N 371.569 3.764 0 1 FHAF O=C1CCC[C@@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@H]12 29239280 KHSVWSHGEADZAR-RCBQFDQVSA-N 364.218 3.537 0 1 FHAF O=C(O)c1ccc2c(c1)nc(CCc1ccccn1)n2Cc1ccccc1 53297568 UHLYVYWPEZLFJL-UHFFFAOYSA-N 357.413 3.963 0 1 FHAF C=CC1=C(C(=O)NCCc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)OC1 73224198 VVQKWQVTNQAAQY-HXUWFJFHSA-N 355.384 3.878 0 1 FHAF CC(C)=CCN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C)cc1 84603510 GBDIOYHFVKWKRL-UHFFFAOYSA-N 359.447 3.855 0 1 FHAF O=C(N1CC[C@@H](c2c[nH]c3ncc(F)cc23)C1)C1(c2ccc(F)cc2)CC1 84687134 LWGBWAUPNPMWJQ-CYBMUJFWSA-N 367.399 3.889 0 1 FHAF CN[C@@H]1[C@@H]2CC[C@@]34[C@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@]3(C2)C[C@]42CCC[C@@H]12 85547443 JKQIHFCAOYBZNP-SQGGDDTHSA-N 359.554 3.627 0 1 FHAF biogenic,in-vitro O=C1C[C@H](c2ccccc2)C(=O)N[C@@H](c2ccc(F)cc2)C/C=C\CCN1 95663244 YHFBHRVUAXHCKC-YERDFKRTSA-N 366.436 3.623 0 1 FHAF Cc1nnc2n1-c1ccc(-c3cncc([C@](C)(O)C(F)(F)F)c3)cc1CC2 143866271 YTLROJLEAFXNIK-SFHVURJKSA-N 374.366 3.506 0 1 FHAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cccc21 169704909 ADHPABPSTJYXKJ-DLBZAZTESA-N 361.445 3.996 0 1 FHAF Cc1nc(NCc2ccncc2C)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1 205895923 PCINJCMXJVAFDP-MSOLQXFVSA-N 361.449 3.678 0 1 FHAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(Cl)c2n1 223680772 BJCHQKHADDNONL-UHFFFAOYSA-N 366.812 3.831 0 1 FHAF Cc1cc(C)n(C[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)n1 261099382 FZPRQRQELHONGW-JCNLHEQBSA-N 360.889 3.846 0 1 FHAF COC(=O)c1ccc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2c1 586903759 MRBIEKYAWFRVEN-UHFFFAOYSA-N 350.330 3.584 0 1 FHAF COC(=O)c1ccc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2c1 586915289 CDMVARJFKOISKO-QVKFZJNVSA-N 364.401 3.566 0 1 FHAF C[C@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC[C@@H]1C(=O)O 586989962 HBIOOYUFXZRCDW-MNOVXSKESA-N 359.381 3.902 0 1 FHAF Cn1cc(-c2ncc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)s2)cn1 587021188 GHJVFHLWLSQZQQ-UHFFFAOYSA-N 351.222 3.789 0 1 FHAF N=c1nc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c[nH]1 587062935 CURNSMOZZNTJFM-UHFFFAOYSA-N 351.797 3.665 0 1 FHAF C[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)n1cc(Cl)cn1 587078997 DLLBNXDXVMFZKL-YFKPBYRVSA-N 361.030 3.833 0 1 FHAF N=c1ncc(-c2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)c[nH]1 587253465 AQTPNRYQNONFSP-UHFFFAOYSA-N 357.204 3.801 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(F)cc1Br)O2 587384019 IXJFKMRTCCDOAV-MRXNPFEDSA-N 365.202 3.754 0 1 FHAF CCOC(=O)[C@H]1CCSCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587538118 NPENGHDQPBMFQK-UTKZUKDTSA-N 374.502 3.976 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)OC(C)(C)C)N1 587756278 QTVKUHUMUUQASC-LKFCYVNXSA-N 373.266 3.688 0 1 FHAF Cc1n[nH]c(C)c1C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587802894 ODXLYCMCEMYHJF-HUTHGQBESA-N 366.278 3.920 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](C(=O)O)C2)N1 587820121 ACXUKVMIKLRPKL-SEFYAATASA-N 356.235 3.593 0 1 FHAF CCS(=O)(=O)c1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2c1 587928145 ZATMEZXXHQKFGC-UHFFFAOYSA-N 370.474 3.753 0 1 FHAF COC(=O)c1ccc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1OC 587929185 GYIPEKZRQSNNDO-LHSJRXKWSA-N 366.417 3.812 0 1 FHAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(F)cnc(Br)c4[nH]1)(C3)C2 587969605 QJPDRUZXFOWCHF-BTBJQWHKSA-N 364.218 3.506 0 1 FHAF COc1cc([C@@]2(CC(C)(C)C(=O)O)NCCc3c(C)ccnc32)ccc1C 963072711 NBUOKAACOBFEOZ-JOCHJYFZSA-N 368.477 3.597 0 1 FHAF CCCCCC(=O)O[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccccc1 2356484018 HHDYLMGNZOFWPD-LEWJYISDSA-N 370.401 3.906 0 1 FHAF COc1ccc(OC)c([C@@H]2N(c3ccc(Cl)cc3)C(=O)[C@@H]3CCCN32)c1 102018357 GGLLJJQPFADSDH-HKUYNNGSSA-N 372.852 3.867 0 3 FHAF CCOC(=O)c1cc2ccccn2/c(=N/c2ccc(Br)cc2)n1 25968101 ZBKPUTALODJQAT-HTXNQAPBSA-N 372.222 3.506 0 1 FHAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2cccc(OC)c2)cc1 100109184 MTMZDUHOOXWDOG-JCJGNVMHSA-N 363.461 3.700 0 1 FHAF Cc1ccc(CNCC2(F)C[C@@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)nc1 102415086 QQEUXAKRLNGTFT-PMACEKPBSA-N 367.468 3.655 0 1 FHAF COc1cccc(Nc2nc(-c3cccc(OC)c3)nc3c2cnn3C)c1 64549226 BUIICZBHXWDPKZ-UHFFFAOYSA-N 361.405 3.791 0 1 FHAF C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)c1ccc2nc(N)nc(N)c2n1 26501837 CGAGRYKVZKGXHD-QMMMGPOBSA-N 363.252 3.693 0 1 FHAF CC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2C(=O)C[C@H]1C3 2356437069 FSXAFKCSUNTGFS-STHOIYKHSA-N 362.510 3.892 0 1 FHAF Cc1nccn1-c1ccc(N2CCC(Oc3ccccc3Cl)CC2)nn1 28655458 FIVWPSODANAOPO-UHFFFAOYSA-N 369.856 3.672 0 1 FHAF O=C(OCCCF)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Br)cc1)N2 36271360 GBXCFQBRUJWAGV-LVQVYYBASA-N 370.262 3.576 0 1 FHAF COc1ccccc1CN[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 33819204 YAKDYRUTAGMFMS-JOCHJYFZSA-N 371.440 3.601 0 1 FHAF O=C(C(=O)N1CCC(Cc2ccccc2)CC1)c1c[nH]c2c(O)cccc12 73224790 LCYYDEZDUOMGBH-UHFFFAOYSA-N 362.429 3.538 0 1 FHAF CCNc1nc(N(C)Cc2ccccc2)nc2cc(OC)c(OC)cc12 82131843 RYPQGIHFNCKRHA-UHFFFAOYSA-N 352.438 3.715 0 1 FHAF CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2ccccc2s1 84654106 QTWOGHUMQWLJDE-KRWDZBQOSA-N 352.459 3.786 0 1 FHAF CC(C)c1nc2c(NCc3cccc(F)c3)ncnc2n1C[C@@H]1CCCO1 82184647 MNWKDTOOAKLTRI-INIZCTEOSA-N 369.444 3.880 0 1 FHAF CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3ccc(OC)cc3)C2)O1 96018781 LLCGDOVHYYVKFL-CTNGQTDRSA-N 361.482 3.552 0 3 FHAF O=C(N[C@@H]1CCC[C@@H](NC(=O)c2cccc(Cl)c2)C1)c1cccc(F)c1 95586497 YLQJLHCKRNGVIP-QZTJIDSGSA-N 374.843 3.950 0 1 FHAF O=C(OC1[C@H]2CC3C[C@H]1CC(C(=O)O)(C3)C2)N1CCC[C@@H]1c1ccccn1 147409028 HRPDBTGVJKRXKO-MASMFYSCSA-N 370.449 3.635 0 1 FHAF CCOc1cc(/C=C/c2nc3cc(N)c(N)cc3[nH]2)ccc1OC(F)F 587130674 NVPIMZDXMYOIGQ-GQCTYLIASA-N 360.364 3.898 0 1 FHAF Cc1ccc(Cc2nc3c(S)nc(S)nc3[nH]2)cc1C(F)(F)F 587095295 CHIDWYXDZTVQTP-UHFFFAOYSA-N 356.398 3.848 0 1 FHAF CCN1CCC([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587770657 SMBWXOHFBQCQDH-GTNSWQLSSA-N 355.295 3.895 0 1 FHAF COc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1C 587132482 QVAMQHQGQLIUIU-NSHDSACASA-N 367.396 3.850 0 1 FHAF COC(=O)c1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2n1 587068495 BRKZDXUDCZQWGX-SNVBAGLBSA-N 357.797 3.774 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(Cc3ccccn3)CC1)CC2=O 587474565 IKNGKGZUVZWVBE-UHFFFAOYSA-N 366.461 3.740 0 1 FHAF CCOc1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc1C 587779675 CJEJCBOGUKTHOE-UHFFFAOYSA-N 351.450 3.769 0 1 FHAF CC(=O)Nc1ccc2c(c1)CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587392149 XLCGBHRKLTZPRL-NRFANRHFSA-N 350.418 3.733 0 1 FHAF C[C@H]1C[C@@H](C)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349402 BYXDWDJMJVLITL-NLKGAYOCSA-N 354.377 3.874 0 1 FHAF Fc1ccc(-c2cnn(Cc3nc4cc5c(cc4[nH]3)OCCCO5)c2)cc1 587165509 XYSYOKHYLIGCSV-UHFFFAOYSA-N 364.380 3.775 0 1 FHAF CS(=O)(=O)Nc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587534314 YMLZFBQYELBVFI-IBGZPJMESA-N 371.458 3.643 0 1 FHAF Nc1ccc(-c2ccc3nc([C@@H]4C[C@H](O)c5ccccc54)[nH]c3c2)cc1N 586904223 RZDAKBVPUZULNR-IERDGZPVSA-N 356.429 3.963 0 1 FHAF O=C(O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587077772 ZRSLPGTXIQQPDK-UHFFFAOYSA-N 368.780 3.750 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N3CCCC3)ccc1N)O2 587395777 OKRBARKHOYXCBZ-OAQYLSRUSA-N 351.450 3.640 0 1 FHAF Brc1ccnc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc12 587017795 ZOGSWIGDWZVROV-VIFPVBQESA-N 351.229 3.695 0 1 FHAF Cc1cnc(Cl)c2[nH]c(C(F)(Br)Br)nc12 587087236 CGFXBFFQBKRHHN-UHFFFAOYSA-N 357.408 3.789 0 1 FHAF CC[C@@]1(c2ccnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757721 HOBNBPMSVFMJDP-QLJPJBMISA-N 352.251 3.510 0 1 FHAF CN(C)c1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cn1 962713641 SHTUSWVIXRIBKE-MGPUTAFESA-N 357.498 3.740 0 1 FHAF O=C(O)c1ccccc1[C@]1(C(=O)O)NCCc2cccc(-c3ccccc3)c21 962661879 ASHRCZVGOZNYKU-QHCPKHFHSA-N 373.408 3.526 0 1 FHAF Cc1cccc(C(=O)n2cc(I)c3cccnc32)c1 1857765470 AKQCMADDJRJNKY-UHFFFAOYSA-N 362.170 3.638 0 1 FHAF Nc1nc(N)c2nc(Sc3cc(Cl)c(Cl)cc3Cl)cnc2n1 13207346 PGLOMWWRBMRVAZ-UHFFFAOYSA-N 373.656 3.696 0 1 FHAF C[C@H]1Oc2cc3occ(-c4ccc(O)cc4O)c(=O)c3c(O)c2C1(C)C 13341327 ZAJXQDVTLMBORN-SECBINFHSA-N 354.358 3.635 0 1 FHAF biogenic O=C(CCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1 13861798 UNMXNUUYLCZEGC-UHFFFAOYSA-N 360.457 3.940 0 1 FHAF CCc1cc(=O)n2[nH]c(SCc3cc(Cl)ccc3Cl)nc2n1 169728242 DBJRGMHDXAPFAS-UHFFFAOYSA-N 355.250 3.579 0 1 FHAF O=C(NCCCCCCNC(=O)N1Cc2ccccc2C1)C1CCCC1 167522432 BQFCXFYHPYXJTB-UHFFFAOYSA-N 357.498 3.579 0 1 FHAF O=S(=O)(Nc1cc(OC(F)(F)F)cc2cccnc12)c1ccccc1 205630133 BIEOQOYDTSKGOG-UHFFFAOYSA-N 368.336 3.934 0 1 FHAF COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N(C)C 772795 CODYHEIRNVEANS-SJLPKXTDSA-N 358.825 3.529 0 1 FHAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774715 HLCMEAZQNKKLOD-GFCCVEGCSA-N 360.797 3.756 0 1 FHAF CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1F 101284965 UWPFPPQQSUMVNR-GJZGRUSLSA-N 361.461 3.905 0 1 FHAF CCCCNc1ncc(-c2ccccn2)c(NC[C@H]2CC[C@H](N)CC2)n1 103242224 WORRXRIVSMTSEB-IYBDPMFKSA-N 354.502 3.680 0 1 FHAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2CC2CCC(C)CC2)cc1 27208168 FFYFZLDCFYQWQC-RZMNMVRNSA-N 355.526 3.808 0 1 FHAF COc1ccc(C(=O)c2cc3c(c(Cl)c2Cl)O[C@H](C(=O)O)C3)cc1 27998344 HAZRKMQCXUJLSA-LBPRGKRZSA-N 367.184 3.621 0 1 FHAF CCCCC[C@](C)(O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)O 2356550106 OMNFCPCBKCERJP-VKRLORBYSA-N 368.514 3.865 0 1 FHAF CC(C)=CCCC(=CCCC(=CCCC1=CC(=O)OC1)C(=O)O)C(=O)O 2356565091 OOEGASWQMOHZOT-UHFFFAOYSA-N 362.422 3.798 0 1 FHAF C=CC1=C(C(=O)NCCc2cccc(OC)c2)[C@@H](c2ccc(F)cc2)OC1 73224201 WCRUAAJWDBNDJM-OAQYLSRUSA-N 367.420 3.747 0 1 FHAF CCC(=O)Oc1c2c(c(COC(C)=O)c3c(C)coc13)[C@H](C)C[C@@H](O)C2 13300444 CJDTZTGSFJDSGM-ZWNOBZJWSA-N 360.406 3.530 0 1 FHAF biogenic CC(=O)OC[C@H]1Cc2ccccc2CN1C(=O)c1cccc2ccccc12 84670307 VNMBTIFBKXCPEL-HXUWFJFHSA-N 359.425 3.970 0 1 FHAF Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)c4ccncc4)cn3)ccc12 98084089 CIVLEAYGXWJUPM-UHFFFAOYSA-N 373.368 3.936 0 1 FHAF FC(F)(F)COc1cc(-c2nc3cc(Br)cnc3[nH]2)ccn1 587090930 BXFWXYIYYOQYIW-UHFFFAOYSA-N 373.132 3.724 0 1 FHAF COc1ccc(-c2ccc(-c3nc4ccnc(O)c4[nH]3)c(O)c2)cc1OC 587927207 PBMJPMMEUSFRJM-UHFFFAOYSA-N 363.373 3.720 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(N4CCCC4)c1)[C@@H](C2)C3=O 587422552 FEMSMGUYJYMWFP-YCRPNKLZSA-N 353.393 3.923 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(CC(F)F)c1 587557761 SULBGIRINCNKMX-APWZRJJASA-N 372.327 3.557 0 1 FHAF CCOC(=O)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350241 RNRKIKNSFBENKD-WIYYLYMNSA-N 372.392 3.848 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ncccn3)s1)CC2=O 587494399 JVCRWWYWKKHALP-OAHLLOKOSA-N 367.430 3.965 0 1 FHAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(C(N)=O)cc3[nH]2)cc1 587938133 SXCODJAYNOMROY-FQEVSTJZSA-N 357.413 3.851 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(F)c1O)O2 587382599 SLWWLATWPNZNTQ-CQSZACIVSA-N 366.186 3.891 0 1 FHAF CC[C@@]1(c2nccn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587752801 GFBLZYHZGGYIPM-QLJPJBMISA-N 352.251 3.510 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587036554 GCBGYLNSULZBKH-CYBMUJFWSA-N 362.838 3.921 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(Cc1cc(OC)c(OC)cc1C)[C@@H](C2)C3=O 587441204 DBFAXNLZYAKRFY-AOMKIAJQSA-N 368.429 3.770 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(C(F)(F)F)s1 587871503 XPNSZDFJYOWYIL-UHFFFAOYSA-N 358.320 3.947 0 1 FHAF Brc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cn1 587036508 DDOIUVNVJURIRA-LLVKDONJSA-N 350.241 3.638 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1nc2cc(C)c(C)cc2[nH]1 963614147 WGIQBOJMJIZKNJ-RBZFPXEDSA-N 351.450 3.821 0 1 FHAF Cc1cccc(C)c1[C@@]1(c2ccccn2)NCCc2c1c(C(C)C)nn2C 962924887 XJNQWRBBTBTOTB-HSZRJFAPSA-N 360.505 3.993 0 1 FHAF Oc1ccc(C2=C[C@@]3(NCCc4ccc(O)cc43)c3ccccc3O2)c(O)c1 963340404 GULRKFJLLDIYBS-HSZRJFAPSA-N 373.408 3.626 0 1 FHAF O=C(/C=C/c1ccccc1C(F)(F)F)Nc1ccc(C2=NCCN2)cc1 1772633293 PDOGFYVGEADGIA-JXMROGBWSA-N 359.351 3.707 0 1 FHAF O=C(O)[C@H]1CCCN(CCCOC(c2ccccc2)c2ccccc2)C1 13729370 ZNCLTXBNNJSPBY-FQEVSTJZSA-N 353.462 3.979 0 1 FHAF CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)cc(F)c2)cc1 14966588 SRRWXMSVQYQCRX-UHFFFAOYSA-N 355.392 3.761 0 1 FHAF in-vivo COc1c(C)c2c(c(O)c1/C=C/[C@@H](C)CP(=O)(OC)OC)C(=O)OC2 169719416 VOZOEJPDADICFW-VQCYPWCPSA-N 370.338 3.515 0 1 FHAF CCOC(=O)c1c2c(c(C)n1Cc1ccc(OC)cc1)-c1oncc1CC2 200026261 ZPBVRQCDPVPUQF-UHFFFAOYSA-N 366.417 3.784 0 1 FHAF COC(=O)N[C@H](C)c1nc(-c2ccc(Oc3ccc(O)cc3)cc2)no1 1857576159 JGPIPHMBCQHAQT-LLVKDONJSA-N 355.350 3.652 0 1 FHAF COc1ccccc1OC[C@H](O)CNCC1(c2cccs2)CCCC1 1857640757 ZHOLOYZGEKDPCR-MRXNPFEDSA-N 361.507 3.598 0 1 FHAF Cn1cc(C(=O)NCCC2=CCCCC2)c2c3ccccc3n(C)c2c1=O 3907595 ORJWNQDSHOBYRZ-UHFFFAOYSA-N 363.461 3.651 0 1 FHAF COCCCN1C(=O)c2c(c3n(c2-c2ccccc2)Cc2ccccc2-3)C1=O 6769777 VCMODXNREAURFZ-UHFFFAOYSA-N 372.424 3.816 0 1 FHAF Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)s1 101366338 RLHOWHVHHMGIKE-ALXJQNPVSA-N 356.491 3.730 0 1 FHAF COc1ccc(CC(=O)c2ccccc2C(=O)N2CCCCC2)cc1OC 26255453 IFVHGKOHGAGVGG-UHFFFAOYSA-N 367.445 3.755 0 1 FHAF CCSC[C@@](O)(C(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 28095869 RPAKAZPXHGOPJQ-LLVKDONJSA-N 362.200 3.978 0 1 FHAF CC=C(C)C(=O)O[C@H](COC(C)=O)COC(=O)CCCCCCC(C)C 2356523788 FOAWEIORASVSBJ-GOSISDBHSA-N 370.486 3.967 0 1 FHAF C[C@@H]1c2nc(NC(=O)C3CC3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356590751 ZVTRWKMQEMZCDI-YPYCQKDXSA-N 374.506 3.745 0 1 FHAF CCOC(=O)C[C@@H]1c2ccccc2-n2nncc2CN1CC1CCCCC1 61924177 HNTAWCRCSNTEOO-HXUWFJFHSA-N 368.481 3.658 0 3 FHAF O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@H]2CN(CC2CCCCC2)C1 2356817327 DJVCMYLLKJMVQA-ICSRJNTNSA-N 363.505 3.910 0 1 FHAF COC(=O)CCC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1 27328834 BOEBSCAESJMPFC-UHFFFAOYSA-N 370.430 3.767 0 1 FHAF O[C@@H](CNCc1ccccc1F)Cn1c2c(c3ccccc31)CCCC2 73157250 QWUKAZDQBKYARM-KRWDZBQOSA-N 352.453 3.810 0 1 FHAF O=C(Cc1ccc(Cl)cc1Cl)N[C@H]1COc2c1ccnc2Cl 146637882 WDZCXBFAIRIGJC-LBPRGKRZSA-N 357.624 3.834 0 1 FHAF O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(F)cccc1Cl 147269176 BTYCFCPAVPVWMT-UHFFFAOYSA-N 356.784 3.764 0 1 FHAF CC(C)N(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O 95560051 OGCSNFFNLCCVLC-UHFFFAOYSA-N 373.493 3.955 0 1 FHAF O=C(O)CCC/C=C/C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1CNCCNc1ccccc1 253771100 HMZUDQZKIYDION-ZNSJADPDSA-N 372.509 3.683 0 1 FHAF CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1 2382216214 MWFZYRJWHFSLOE-JLHYYAGUSA-N 364.445 3.735 0 1 FHAF C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1Cl)c1ccccc1 473150985 NXGVAKZDTBDDGF-NSHDSACASA-N 351.233 3.601 0 1 FHAF O=C(O[C@@H]1C[C@H]2C[C@H]1[C@@H](n1cnc3c(Cl)ncnc31)C2)c1ccccc1 299816464 ATKMRHHZZZBAKX-CYUUQNCZSA-N 368.824 3.676 0 1 FHAF Nc1nc(-c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)c[nH]1 299836376 ZIXCQTVMFQYTFA-UHFFFAOYSA-N 368.265 3.607 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCSCC3)s1)O2 587413458 OHZBOQGIUZZPSL-OAHLLOKOSA-N 360.504 3.898 0 1 FHAF O=C(O)C1=COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531752 LWSIDNUSLARCGQ-JOCHJYFZSA-N 362.381 3.787 0 1 FHAF CCOC(=O)CC(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587859306 VJEQRRILPWFCFN-UHFFFAOYSA-N 371.220 3.849 0 1 FHAF COC(=O)c1ccc2nc(CCCc3ccc(OC)cc3OC)[nH]c2c1 587928781 LKAFQGLKPKGZNL-UHFFFAOYSA-N 354.406 3.542 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2[nH]ccc12 587586069 BAQLTIZMXSFXFQ-YLJYHZDGSA-N 358.353 3.971 0 1 FHAF Cc1n[nH]c(C)c1C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587802896 ODXLYCMCEMYHJF-VVVCHXIZSA-N 366.278 3.920 0 1 FHAF CC(C)N1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587771099 VGSMKEBBWDVHIO-SJKOYZFVSA-N 355.295 3.822 0 1 FHAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3ccccc3cc2[nH]1 586951755 XZKPFUGBKZVQQP-UHFFFAOYSA-N 358.448 3.520 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2C(F)F)N1 587715588 HYUGAYJOLIURHJ-FUXBKTLASA-N 374.204 3.883 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc(Cl)c(C)n1 587870830 JIBMBRLKMJADNX-UHFFFAOYSA-N 362.792 3.587 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc3c(c1)OCCO3)O2 587408712 NXIHRPJRYXCVLL-OAQYLSRUSA-N 353.418 3.705 0 1 FHAF CC[C@H](CCC(=O)OC)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596384 VIHCSMMOPUHCTK-MPKWNAGQSA-N 370.401 3.702 0 1 FHAF Cc1ncn(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587755385 PEVPUYFJOUWNQA-QGHHPUGFSA-N 366.278 3.851 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ncccn4)o1)[C@@H](C2)C3=O 587451137 JKIRYWNXEVPHQZ-KPZWWZAWSA-N 366.398 3.718 0 1 FHAF Cc1ccc2c3c(c4c(nc13)CC1(CC4)OCCO1)-c1ccccc1C2=O 587103502 XXTVRKLOTNNMNN-UHFFFAOYSA-N 357.409 3.986 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2[nH]ncc12 587597757 WANBSCDHUXJAFZ-GHTZIAJQSA-N 358.353 3.971 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CC(=O)OC)cc1)CC2=O 587476318 BIJJWLPYVIIDGO-LJQANCHMSA-N 354.402 3.767 0 1 FHAF Cc1nccn1CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587755085 ODNTUHGGICEXGG-APPDUMDISA-N 366.278 3.933 0 1 FHAF CC[C@]1(c2cc(C)ccc2OC)NCCc2ccc(C(=O)N(C)C)cc21 962922116 IIXOFYXNODOWKG-QFIPXVFZSA-N 352.478 3.505 0 1 FHAF Cc1ccc(Cl)c(-c2ncnc3c2cnn3CCN2CCCCC2)c1 207175415 SNVSKDGQHZGSDF-UHFFFAOYSA-N 355.873 3.941 0 1 FHAF COc1cc(OC)c([C@@H]2C[C@@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC 1772571545 STKXXWMTZYSVQE-WNTFAFMFSA-N 366.429 3.598 0 1 FHAF COc1ccc(CCO[C@@H]2CCCC[C@@H]2N2CC[C@@H](F)C2)cc1OC 1772619677 ZXYWYJJXNBKBPI-FGTMMUONSA-N 351.462 3.618 0 1 FHAF O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)N1CCCC1 11844640 KEFOMWKCJHIRKT-UHFFFAOYSA-N 361.445 3.882 0 3 FHAF CCN1CC=C(c2ccccc2)[C@H](C(=O)OCCc2ccc(OC)cc2)C1 13782817 ZMDYOFHOFRJYRX-JOCHJYFZSA-N 365.473 3.816 0 1 FHAF O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCN(c2ccccn2)CC1 169334383 PPOROOFLUNLTLP-GOTSBHOMSA-N 359.473 3.679 0 1 FHAF CC(C)N1CC[C@H](NC(=O)c2c(Cl)cccc2Cl)C(F)(F)C1 1857605848 DMFAKASYMLTWTP-LBPRGKRZSA-N 351.224 3.841 0 1 FHAF Cn1ncc2c(NCCc3ccc(C(F)(F)F)cc3)nc(Cl)nc21 1857646847 OTUCLGBXAPUODE-UHFFFAOYSA-N 355.751 3.690 0 1 FHAF O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(Br)nc1 117731621 DJTVLQZFMDNYPK-CYBMUJFWSA-N 360.255 3.563 0 1 FHAF CC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 28959164 BFBYARFWWVASFC-FQEVSTJZSA-N 367.449 3.562 0 1 FHAF COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cc(F)c(F)c(F)c1 64513060 KGWKRFGZQWBKEI-SNAWJCMRSA-N 353.252 3.579 0 1 FHAF C[C@@H]1[C@@H](c2cc3c(cc2O)OCO3)O[C@@H](c2ccc3c(c2)OCO3)[C@H]1C 2356557705 YDYDLBZCPHFYFA-QFALXMRDSA-N 356.374 3.934 0 1 FHAF NC(=O)c1ccc(Oc2ccc3c(c2)CN(Cc2ccccc2)CC3)nc1 28825022 ZNXVWUPPAMCKJB-UHFFFAOYSA-N 359.429 3.531 0 1 FHAF C=CC(=O)Nc1cccc(Oc2ncnc3[nH]cc(-c4cccnc4)c23)c1 66102524 RXSINFFGHTYUKL-UHFFFAOYSA-N 357.373 3.937 0 1 FHAF COc1ccc([C@H]2CC(=O)c3c(OC)cc(OC)c(C)c3O2)c(OC)c1 14761079 POAYRMWLLITKDN-QGZVFWFLSA-N 358.390 3.736 0 1 FHAF biogenic COc1cccc(Cn2cnc3sc(-c4ccnc(F)c4)cc3c2=O)c1 1911586498 BWAHNKDMKSDWGQ-UHFFFAOYSA-N 367.405 3.716 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC(C)(C)O2 82177648 BGWWFQBQWMXKMN-IBGZPJMESA-N 370.468 3.962 0 1 FHAF Cc1ncc(CO)c2c(Nc3cnccn3)c(NC3CCCCC3)oc12 95571715 LPQNCRVAOVMVAB-UHFFFAOYSA-N 353.426 3.907 0 1 FHAF CCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C 146302030 BQXSMWZQXTYYNY-UHFFFAOYSA-N 367.440 3.586 0 1 FHAF CC(C)c1cccc(NC(=O)N2CCN(c3ccnc(Cl)n3)CC2)c1 2382216021 BLPHTVZHFYWQPS-UHFFFAOYSA-N 359.861 3.608 0 1 FHAF COc1cc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2)ccn1 299830939 ZOQPJCLETYYEJR-UHFFFAOYSA-N 361.401 3.903 0 1 FHAF C[C@]1(CCN2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585138 CLXUHRAORNMGGF-SIKLNZKXSA-N 367.445 3.989 0 1 FHAF CCOC(=O)c1ccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398322 DUJHUCDKHSLLTI-MRXNPFEDSA-N 353.418 3.721 0 1 FHAF O=C1C[C@H](c2ccc(N3CCNCC3)cc2)Oc2c1ccc1c2CCCC1 587511894 AFRJGBHJFCIVMU-JOCHJYFZSA-N 362.473 3.682 0 1 FHAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587767264 AGSLVYDOEYLNLT-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF Fc1cc(CCc2nc3cc(Br)cnc3[nH]2)cc(F)c1F 587140271 WNJMFEAEBQWOQZ-UHFFFAOYSA-N 356.145 3.923 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O 587431164 IUGZQFOVGJXEMC-FDDCHVKYSA-N 374.440 3.737 0 1 FHAF COc1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cn1 586976167 LTJLJWMDMZCKBM-UHFFFAOYSA-N 368.618 3.961 0 1 FHAF COc1cncc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587189945 FFKNOOSAIUARIS-QGZVFWFLSA-N 368.437 3.923 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1cnc[nH]1)(c1cccc(C)c1C)[C@@H](C2)C3=O 587438815 RDGUFPFXKIBIAA-JTSKRJEESA-N 360.413 3.726 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4ncccn4)c1)[C@@H](C2)C3=O 587436965 VDOXGVWDSVLFML-JXFKEZNVSA-N 360.369 3.766 0 1 FHAF O=C1NNC(c2ccc(Cl)cc2)=C[C@@H]1c1cccc(Br)c1 957574203 WLICRDREWBBSLG-CQSZACIVSA-N 363.642 3.862 0 1 FHAF C[C@@]1(Cc2ccccc2F)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962961426 GQUKBWWPHMGDBG-KSSFIOAISA-N 369.770 3.814 0 1 FHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc(F)c(Cl)cc2F)N1 963236408 WSPJEESGUGNCAQ-QZTJIDSGSA-N 374.774 3.855 0 1 FHAF Cc1nc(-c2cccc3ccccc23)oc1C(=O)N1CCC(CO)CC1 1772586468 ZTCYJSLCZZJSFO-UHFFFAOYSA-N 350.418 3.648 0 1 FHAF CCOC(=O)c1[nH]nc([C@@H](O)c2ccc(Cl)cc2)c1-c1ccccc1 169690324 DQSXYWMBEIWOES-SFHVURJKSA-N 356.809 3.989 0 1 FHAF CC(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714338 PFJNFQNAMKUVQS-SMKPUJKUSA-N 358.526 3.784 0 1 FHAF COc1ccc(NC(=O)[C@H]2C(C)=Nc3[nH]ncc3[C@H]2c2cccs2)cc1 169724247 YDSGZVVHIAMSTN-IRXDYDNUSA-N 366.446 3.973 0 1 FHAF CN(C)CCN=c1[nH]c(/C=C/c2cccs2)nc2ccc(Cl)cc12 1857583666 WPRAAXVYZJMCHI-SOFGYWHQSA-N 358.898 3.911 0 1 FHAF C[C@]1(C(=O)NCCc2ccccc2F)CON=C1c1ccc(Cl)cc1 769240 CHNZQTKGUBXOEQ-IBGZPJMESA-N 360.816 3.579 0 1 FHAF CNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(-c2ccccc2)c1 1553049 QUTIXALGBQKSDN-UHFFFAOYSA-N 366.461 3.948 0 1 FHAF C[C@@]12N=C3SCc4ccccc4CN3[C@H](c3ccccc3O1)[C@H]2CO 100264183 ACKAAXCMBGLBAY-YVWKXTFCSA-N 352.459 3.563 0 1 FHAF O=C(N[C@@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@@H]1CCC[C@@H]2C1 100102617 ZIAMDRHEQRSMSY-DDUZABMNSA-N 360.885 3.583 0 1 FHAF Cc1c(CCc2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)ccc12 26480455 VBHKHCJLIXXJIV-UHFFFAOYSA-N 351.402 3.947 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(SCC)nc(O)c2[C@@H]1c1ccncc1 102641563 CKBGMJWDAHMTEJ-KAECEXQPSA-N 372.450 3.733 0 1 FHAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(C)cc1)c1ccco1 103192378 DJANDRHQWDGSAS-INIZCTEOSA-N 354.295 3.695 0 1 FHAF COC(=O)C=C(C)CCC(C)(C)C(=O)[C@@H]1Cc2c(C)cccc2C(=O)O1 2356523496 UDPOYGABQYSIDP-KRWDZBQOSA-N 358.434 3.571 0 1 FHAF COc1ccc(-c2noc(C(=O)O)c2[C@H](C)NC(=O)c2ccccc2)cc1 2356647270 GPCYRRFBENFGKP-LBPRGKRZSA-N 366.373 3.539 0 1 FHAF CCCCCC=C[C@H](O)C=CCCCCCCCC(=O)OC[C@@H](O)CO 2356711661 MRBYNZWOAUWCJR-PMACEKPBSA-N 370.530 3.667 0 1 FHAF C[C@H]1CCC[C@H](C)N1CCN[C@H]1c2ccccc2OCc2ncccc21 27872078 ATMKCXWXGQDJKI-PNLZDCPESA-N 351.494 3.916 0 1 FHAF CCOC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1-c1ccccc1 72103187 MVPSRLYXVKSWNR-UHFFFAOYSA-N 369.442 3.877 0 3 FHAF COc1c(O)c2c(c3c(=O)occc13)CC[C@H]1C(C)(C)C(=O)CC[C@@]21C 13337277 DZAIPEFYJZKDHX-YEJXKQKISA-N 356.418 3.716 0 1 FHAF biogenic COc1cccc(C2=N[C@@](C)(CC(=O)Nc3ccc(C)c(C)c3)ON2C)c1 74373351 KNMQRMSTDNSYRM-OAQYLSRUSA-N 367.449 3.681 0 3 FHAF O=C(Cc1ccccc1)N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45191329 SKPDMKAGVITLSE-KRWDZBQOSA-N 365.864 3.826 0 1 FHAF CO[C@@H]1C[C@H](CC[C@@]2(C)[C@H](C)[C@H](O)C[C@@]3(C)C(CO)=CCC[C@@H]32)CO1 140073540 GOCXWVDTBKRQRK-XYLWGEAYSA-N 352.515 3.518 0 1 FHAF biogenic COc1cc(/C=C/c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 147987721 OYGWLTZXZMVTET-AATRIKPKSA-N 356.374 3.725 0 1 FHAF CC(C)CCCCCCCC1(Cc2ccccc2)C(=O)NC(=O)NC1=O 95559400 UCUWDJGEWJWQOY-UHFFFAOYSA-N 358.482 3.968 0 1 FHAF COC(=O)c1c(-c2ccccc2)nn2cc(-c3ccc(OC)cc3)n(C)c12 248086883 SUSKMAALFJLERL-UHFFFAOYSA-N 361.401 3.802 0 1 FHAF CC(C)c1ccc2c(c1)C=C1C(=O)NC(c3ccc(N(C)C)cc3)=N[C@@H]1O2 2382218175 HYNWPVUSDNHJPI-JOCHJYFZSA-N 361.445 3.555 0 1 FHAF COc1c(F)ccc(F)c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587133298 RXWMGXFXRWVMFO-UHFFFAOYSA-N 364.661 3.931 0 1 FHAF COc1cc(Cl)ccc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587067032 YQPJPFHTACRRRE-UHFFFAOYSA-N 356.857 3.644 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1SC)OCCO4)[C@@H](C2)C3=O 587452315 OFHNQSYKIDGBSK-RBZFPXEDSA-N 370.426 3.677 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)[C@@H]3CCC[C@H]32)N1 587768588 KXFIESILSYYYOJ-CAHUOCRHSA-N 367.306 3.822 0 1 FHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587938770 ZWMAJMGKSDDXNV-BLVKFPJESA-N 354.406 3.570 0 1 FHAF Nc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1N 587041919 PPXIDXMLUXLXMB-UHFFFAOYSA-N 358.492 3.785 0 1 FHAF Nc1ccc(/C=C/c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587251165 AGILFIMYFLNHRV-ZZXKWVIFSA-N 358.195 3.776 0 1 FHAF O=C(O)c1cccnc1SCc1nc2c(Cl)c(Cl)cnc2[nH]1 586966931 MBIUARVBBIBADU-UHFFFAOYSA-N 355.206 3.650 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(O)c1 587554035 CKSFQVGKHGJCFB-YLJYHZDGSA-N 352.317 3.940 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cccc4c1OC(F)(F)O4)[C@@H](C2)C3=O 587424656 RAOHZFHYMZVLLO-SGTLLEGYSA-N 360.312 3.680 0 1 FHAF COc1cc([C@]2([C@H](C)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587526169 RWQLPQVXFIBKHH-WHEQGISXSA-N 368.429 3.521 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1csc(N(CC)C(C)=O)n1)CC2=O 587494982 MWHXKWSYGYPSMV-QGZVFWFLSA-N 374.462 3.881 0 1 FHAF CC(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587124069 LANBQIKNZXIANJ-XLKFXECMSA-N 363.343 3.937 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc3c(c1)c(C)nn3C)CC2=O 587475261 KSCIIXJXVGSFEL-SFHVURJKSA-N 351.406 3.641 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587003559 MHVBIGRKFCTWBK-CYBMUJFWSA-N 371.198 3.592 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@](C)(c3cccc(N4CCCC4)c3)c3cccc1c32 963021378 GRBRPLXVPZQBAV-WAIKUNEKSA-N 361.489 3.604 0 1 FHAF C[C@]1(CCc2ccc(Cl)s2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962918586 IPYRMKKNAKCEFT-WMLDXEAASA-N 353.846 3.988 0 1 FHAF Cn1ncc2c1CCC[C@@]21c2cccc(F)c2CCN1[C@H]1CCSC1 962720772 WQPWROQJLVNBFG-VBKZILBWSA-N 357.498 3.503 0 1 FHAF CC1(C)Cc2c(sc(NC(=O)NCc3ccccc3)c2C(=O)O)CO1 1772642164 WJSLYCLZSOMHRG-UHFFFAOYSA-N 360.435 3.619 0 1 FHAF O=C(c1coc(COc2cccc3cnccc23)n1)N1CCCCCC1 11878291 NZZHCUIDYGDFOQ-UHFFFAOYSA-N 351.406 3.818 0 1 FHAF COc1ccc2c(=O)c(-c3ccccc3)c(Sc3ncn[nH]3)oc2c1 14946800 DUEZKGURISZNGF-UHFFFAOYSA-N 351.387 3.738 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1C 169723934 BVIZLNPECFEXCN-FUHWJXTLSA-N 357.450 3.958 0 1 FHAF CCN(CC)Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1 164824084 KQUMHLRTLZQWIX-UHFFFAOYSA-N 364.428 3.996 0 1 FHAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc2c(c1)OCO2 167676990 ZHJAIWAJKKDHFY-HNNXBMFYSA-N 369.417 3.686 0 1 FHAF CC(C)(C)NC(=O)c1csc([C@@H](O)c2cccc(C(F)(F)F)c2)n1 1857603657 CJVBTFWAARGVBE-LBPRGKRZSA-N 358.385 3.772 0 1 FHAF O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 16211666 JHYOUPQDERUYRR-UHFFFAOYSA-N 358.225 3.764 0 1 FHAF COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 2478113 MHGISDOGJWCGQM-UHFFFAOYSA-N 354.381 3.914 0 1 FHAF CN1CCN(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)CC1 103217749 RSSBGXPJEGPONR-UHFFFAOYSA-N 368.864 3.861 0 1 FHAF CCN(C(=O)c1c(O)c2c(SC)cccc2n(C)c1=O)c1ccccc1 102187928 WDMLDYHYIHRCNE-UHFFFAOYSA-N 368.458 3.633 0 1 FHAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCCNCC2)cc1 22939693 LRPPPKQPCRCVLI-QFIPXVFZSA-N 365.521 3.553 0 1 FHAF COC(=O)[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CCc1ccoc1 2356396407 KAQREUHMTOCSOV-IAECCPNBSA-N 358.434 3.681 0 1 FHAF CC(C)N(CC[C@@]1(c2ccccc2)C(=O)N=CN2CCCC[C@H]21)C(C)C 28265062 CMEFGOJSFPCTKK-UNMCSNQZSA-N 355.526 3.856 0 1 FHAF O=c1c2cc(F)c(-c3ccnc(F)c3)cc2n(C2CC2)c2snc(O)c12 28572106 IDXNHRNHCGDEQR-UHFFFAOYSA-N 371.368 3.992 0 1 FHAF COc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1 72124938 KDISDFRLUVJJGD-UHFFFAOYSA-N 371.487 3.758 0 1 FHAF Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@H]3CCCNC3)c2c1 34803968 GGKQOYXYJRAAKR-AWEZNQCLSA-N 373.460 3.544 0 1 FHAF NC(=O)N1C(=O)[C@H](C(=O)c2cc(Cl)cs2)c2cc(F)c(Cl)cc21 136222626 TVBUSVDXSSKDSK-NSHDSACASA-N 373.192 3.586 0 1 FHAF C[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1 40848172 ZVDOVCKXUJFELK-VIFPVBQESA-N 357.368 3.667 0 1 FHAF COc1cc(/C=C/Cc2cc(OC)c3c(cnn3C)c2)cc(OC)c1OC 40563894 OCIRZCYIUVXYPQ-SOFGYWHQSA-N 368.433 3.864 0 1 FHAF COc1cc(O)cc2c1C(=O)[C@H](c1ccc3c(c1O)C=CC(C)(C)O3)CO2 85949120 ZIDJFMZHWCAFPM-AWEZNQCLSA-N 368.385 3.650 0 1 FHAF biogenic,in-vitro Nc1cccc(Nc2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)c1 222333920 PWJMJGJCPRZTLY-UHFFFAOYSA-N 369.428 3.842 0 1 FHAF O=C(Nc1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1)c1c(Cl)cccc1Cl 96928697 RBNYBLHXBHWSCZ-SKDRFNHKSA-N 368.195 3.937 0 1 FHAF O=C(Nc1nc(-c2ccc(Cl)cc2)co1)C1=NNC[C@H]1c1ccccc1 95561204 FPGDERGRUOHTAR-HNNXBMFYSA-N 366.808 3.677 0 1 FHAF CCOC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21 299839136 RTLGOCSNDGKWTR-UHFFFAOYSA-N 364.405 3.728 0 1 FHAF CCCCOc1c(OC)ccc2cc(C(=O)N[C@H](C)CCC)c(=O)oc12 299870544 WJIZZYNTUBCGPU-CYBMUJFWSA-N 361.438 3.899 0 1 FHAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ncn1 587346533 MWYGZACQTYTSMY-PZJWPPBQSA-N 364.376 3.904 0 1 FHAF CCn1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587764403 PLYHHQGOYZIMNP-ABKXIKBNSA-N 352.251 3.737 0 1 FHAF Cc1nc2[nH]c(/C=C3\OC(=O)c4ccccc43)nc2cc1Br 586905737 ADLSNGXPJUAHMV-QPEQYQDCSA-N 356.179 3.697 0 1 FHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(F)cnc(Cl)c2[nH]1 586964054 TVVQVNFKABLQFT-MRVPVSSYSA-N 353.810 3.798 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@@H](C)O)N1 587852078 JYQGWHPELNSSGC-IEVXNVSRSA-N 370.287 3.808 0 1 FHAF CC(=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604817 YXVCUJITLVVGJM-DENIHFKCSA-N 360.365 3.838 0 1 FHAF Brc1cnc2c(-c3nc4ccc5c(c4[nH]3)CCCC5)cnn2c1 587009257 YPXDBCYJOHMTDW-UHFFFAOYSA-N 368.238 3.914 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)O2 587398017 DHNMMXGCZCGDAZ-LTMIRXACSA-N 362.473 3.823 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Cl)n1 587551958 LRYNJPFXOGHJIM-YOEHRIQHSA-N 354.749 3.539 0 1 FHAF CC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)c1 587751626 NEKGKSIHHAUQPU-XLFHBGCDSA-N 365.246 3.753 0 1 FHAF CC(C)[C@@H](c1nc2ccnc(O)c2[nH]1)N(C)C(=O)OCc1ccccc1 587199166 YEBIMMGKJIJGJQ-INIZCTEOSA-N 354.410 3.629 0 1 FHAF C[C@@]1(Cn2c(C(F)(F)F)nc3ccccc32)NCCc2ccc(O)cc21 963327835 AGWUHQVSCBNECH-SFHVURJKSA-N 361.367 3.822 0 1 FHAF Cc1sc2c(c1C)CCNC21C[C@H]2COC[C@@H](C1)N2Cc1ccccc1 963012829 RDHZCYYZMILUIT-QIDMFYOTSA-N 368.546 3.769 0 1 FHAF CCCCCCNC(=O)Nc1ccc(OC[C@H](O)CNC(C)(C)C)cc1 169317350 AYVRAACTBZAOSN-QGZVFWFLSA-N 365.518 3.516 0 1 FHAF Cc1ccc(-c2ncnc(Nc3ccc4c(c3Cl)CNC4=N)c2O)cc1 166441234 SDDLULXLIPJVDU-UHFFFAOYSA-N 365.824 3.983 0 1 FHAF C[C@H]1CCCN(CC[C@@H](C)N(C)S(=O)(=O)c2cccc3ccccc23)C1 5493659 XZYWRBPKJXHPIN-ZWKOTPCHSA-N 374.550 3.971 0 1 FHAF CCCCOc1ccc([C@@](O)(CCN2CCOCC2)c2ccccc2)cc1 19855770 LTDLMDRADXKBIO-HSZRJFAPSA-N 369.505 3.824 0 3 FHAF c1ccc(-c2ccnc(Nc3ncnc4cc5c(cc34)OCCO5)n2)cc1 169326855 VJKPMBAJPKCXAF-UHFFFAOYSA-N 357.373 3.602 0 1 FHAF O=C(CCCN1CCC(n2nnc3ccccc32)CC1)c1ccc(F)cc1 169334304 HHGUWIGXQPTUDP-UHFFFAOYSA-N 366.440 3.870 0 1 FHAF CC(C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C(C)(C)O2 4965826 DHVIOMMDNKLBPL-UHFFFAOYSA-N 352.434 3.529 0 3 FHAF Cn1nc(C(F)(F)F)cc1-c1cnc(OCc2c(F)cccc2F)nc1 207720085 FYJBQHSNWIEMCF-UHFFFAOYSA-N 370.281 3.753 0 1 FHAF CC(C)=CC[C@@]12C[C@H]3C(=O)O[C@@H](CC(C)C)C(=O)N3[C@@H]1Nc1ccccc12 1857651041 WLPAAGQHCJNVMM-GPHNJDIKSA-N 368.477 3.605 0 1 FHAF CC1(C)CC(NC(=O)c2cc3cc(F)c(Cl)cc3[nH]2)CC(C)(C)N1 1857655753 GTCCYLBJHYEWJI-UHFFFAOYSA-N 351.853 3.999 0 1 FHAF Cc1nnn2c1-c1ccccc1N(c1ccc(Cl)cc1)C[C@@H]2CCO 1857748934 PBZMPCXVZAPRES-INIZCTEOSA-N 354.841 3.982 0 1 FHAF CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccnc2)C2=C(O)CCCC2=N1 2476866 GOBHIQPFUFCDST-IBGZPJMESA-N 360.417 3.924 0 1 FHAF CC[C@@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 4118049 IUKIFGGIHREOLJ-GFCCVEGCSA-N 355.825 3.567 0 1 FHAF CCOC(=O)c1cc2c3c(c(C(C)=O)c(O)c2[nH]1)N(C[C@H](C)CC)CC3 5582125 HYFRXVTYVNFIKK-LLVKDONJSA-N 358.438 3.661 0 1 FHAF CCOC(=O)c1cccc(OCCCc2c(O)oc3ccccc3c2=O)c1 13738200 AFKQUVQSWBSNKC-UHFFFAOYSA-N 368.385 3.687 0 1 FHAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@H]1c1ccccc1)N1CCCC1 13756469 GIAAMKCACACNCN-WHZJULEDSA-N 366.505 3.572 0 1 FHAF C[C@H]1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)C[C@@H](C)N1 14970909 UURQEFJLVUODIL-OKILXGFUSA-N 367.884 3.979 0 1 FHAF O[C@H](c1ccccc1Cl)[C@](O)(Cn1ccnc1)c1ccccc1Cl 26009096 VSQNFWFFQKVCHN-MSOLQXFVSA-N 363.244 3.811 0 1 FHAF Cc1ccc(N2CCc3ncnc(NCc4cccc(F)c4F)c3C2)nc1 35077812 VOICQPYJFZIJSN-UHFFFAOYSA-N 367.403 3.633 0 1 FHAF COc1ccc(/C=C/C(=O)n2nc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1OC 45367910 VUKYWEMGKPJSJA-IVYBTYKASA-N 352.434 3.858 0 1 FHAF CCCCc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)CCNCC3)cc1 49793229 SGLMFGBDIMRDPW-UHFFFAOYSA-N 372.534 3.543 0 1 FHAF Cc1ccccc1C(=O)c1c[nH]c(C(=O)NCc2c(F)cccc2F)c1 53243353 HLWGNBREOBUPSH-UHFFFAOYSA-N 354.356 3.762 0 1 FHAF O=C(NCc1ccc(-c2ccccc2)cc1)c1csc2nc[nH]c(=O)c12 96933961 YQGVWSWPZBEVIW-UHFFFAOYSA-N 361.426 3.582 0 1 FHAF COC(=O)CCCCCCCO[C@@H](Cn1cncn1)c1ccc(F)cc1 103273010 LRJPAROHZMEJKV-SFHVURJKSA-N 363.433 3.689 0 1 FHAF O=C1O/C(=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2ccccc21 586905920 GJYFZDRGTOSOAB-VMPITWQZSA-N 366.686 3.645 0 1 FHAF Cc1nc(-c2c[nH]cc2-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cs1 587022478 XJTBPIUHAZLIBA-UHFFFAOYSA-N 350.329 3.750 0 1 FHAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2nc(Cl)c[nH]c-2n1 587044525 IBZOXKMZDGMRJG-UHFFFAOYSA-N 359.600 3.949 0 1 FHAF FC(F)(F)c1nn(Cc2nc3ccc(Cl)nc3[nH]2)c2c1CCCC2 587120089 QKKVJIUTEYWRSY-UHFFFAOYSA-N 355.751 3.754 0 1 FHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Cl)ccnc4[nH]3)cc2N1 587127020 QHHCABVGIQGDLS-HZGVNTEJSA-N 356.739 3.782 0 1 FHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)cc(F)c2[nH]1 587194253 PAQQVHFLXYTVEO-GFCCVEGCSA-N 370.856 3.873 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)C[C@@H]1F)O2 587387787 WZAPRNQQCPDVKB-PZJWPPBQSA-N 354.425 3.525 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 587400462 PXAOPMDFKLMLSP-FEJSZKPUSA-N 362.473 3.823 0 1 FHAF COc1ccc([C@H]2C[C@]3(CCO2)CC(=O)c2cc(C)cc(N)c2O3)cc1 587415084 YNIJMDFTNMKMGC-CTNGQTDRSA-N 353.418 3.842 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426987 FTAFFSSGJVCERZ-KKSFZXQISA-N 370.376 3.732 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ncc1C(=O)O)CC2=O 587463610 YXQHXVGZSWZLLR-HNNXBMFYSA-N 361.781 3.798 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccc(F)cc3)n1)CC2=O 587470772 IRSHQJMFNISXRQ-IBGZPJMESA-N 367.380 3.771 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OCC)ccc1O)CC2=O 587479706 JBHDXDYUYSKPGW-LJQANCHMSA-N 370.401 3.934 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C(=O)O)=COc2ccccc21 587485077 JECIEWRWTWOKQV-OAQYLSRUSA-N 366.369 3.566 0 1 FHAF Nc1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553772 VXPVKBKYNDDNBK-CRAIPNDOSA-N 368.776 3.726 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc[nH]c2=N)N1 587697465 WGPGIKQVRLATBT-UOWDBTKRSA-N 370.653 3.673 0 1 FHAF CC(C)n1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587763685 LIFPULISHLZGIM-MGPLVRAMSA-N 352.251 3.989 0 1 FHAF COC(=O)C[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587805153 GWPOUDJNNBBWDL-ZMNCSTGQSA-N 370.262 3.681 0 1 FHAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2nc(Br)c[nH]c-2n1 587931273 RRVHXEPBCIUVDB-QLJPJBMISA-N 359.227 3.521 0 1 FHAF COc1cc2ccccc2cc1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023883 ISQUXXKXUFHKCT-HJPURHCSSA-N 358.441 3.991 0 1 FHAF CC(C)N=c1nc(Nc2ccc(F)cc2)[nH]c(Nc2ccc(F)cc2)n1 1772592890 ZARNVKYLTPXGMK-UHFFFAOYSA-N 356.380 3.879 0 1 FHAF C[C@]12CCCC[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 2356599450 ZYEOCZJSKXSFRT-HQCQNFTQSA-N 374.521 3.604 0 1 FHAF Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3nccs3)no2)c1 11844347 QOOLPNCQZJWBQN-UHFFFAOYSA-N 357.435 3.599 0 3 FHAF c1ccc(-c2cc(NCCCn3ccnc3)nc(-c3cccnc3)n2)cc1 1738196 FOFZVHJLRYCRDG-UHFFFAOYSA-N 356.433 3.904 0 1 FHAF Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)[C@@H]3CCCO3)C3CCCC3)cc2c1 8772709 LMXDFNJAMLNIKU-IBGZPJMESA-N 368.477 3.595 0 3 FHAF CCOC(=O)c1cccc(OCCCc2c(O)c3ccccc3oc2=O)c1 100361751 MXQQOMIHZHYIFT-UHFFFAOYSA-N 368.385 3.687 0 1 FHAF COc1cccc(/C=C2\SC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)c1 103221226 CRCDCTVWZIOLDO-YBEGLDIGSA-N 369.398 3.630 0 1 FHAF CCC1(CC)C[C@H](COC(=O)c2ccc(Br)cc2)OC1=O 103288060 JWIJVPVUBRZEGG-CYBMUJFWSA-N 355.228 3.728 0 1 FHAF CCOc1ccc(Cl)cc1-c1cc(C(=O)Nc2ccc(OC)nc2)[nH]n1 61896020 KPZZGCKVUXJQJB-UHFFFAOYSA-N 372.812 3.785 0 3 FHAF COc1cccc2nc(C[C@H]3CN(CC(C)(C)C)CC[C@@H]3CC(=O)O)[nH]c12 2356305812 JCTVSULGUWMMCR-CABCVRRESA-N 373.497 3.573 0 1 FHAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCCN(C)C 2356683449 VNLQPSLXSAMMMJ-LILSUDLASA-N 367.574 3.520 0 1 FHAF CCC1=CN(CC(=O)c2ccc(I)cc2)[CH]C=C1 2356830643 SCALJTJGZMIJTB-UHFFFAOYSA-N 352.195 3.801 0 1 FHAF O[C@@H]1CCN([C@H]2CCCC[C@@H]2OCCc2c(Cl)cccc2Cl)C1 38793823 AHTASIQFBOOLDV-BVGQSLNGSA-N 358.309 3.930 0 1 FHAF CN1CCN(c2nc(NCc3ccccc3)c3cc(Cl)ccc3n2)CC1 40949263 CBXQAAQVKDTXJJ-UHFFFAOYSA-N 367.884 3.647 0 1 FHAF CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccc(C)cc1 49112115 MSGAEQCIVBPCTO-JOCHJYFZSA-N 351.446 3.662 0 1 FHAF Cc1c[nH]c2c(Nc3ccccc3Cl)ncc(C(=O)N3CCOCC3)c12 45244974 XIDMLUXASTZZJT-UHFFFAOYSA-N 370.840 3.741 0 1 FHAF COc1ccc([C@]23OC[C@H](Cc4cc5c(cc42)OCO5)[C@@H]3C)cc1OC 40631739 OBTJNCQONWWZOL-VUCVNMQBSA-N 354.402 3.515 0 1 FHAF COC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccco4)n3)ccc21 95755346 UWRWZDVPDRQAGH-UHFFFAOYSA-N 369.402 3.784 0 1 FHAF O=C(O[C@H]1C[C@H]2C[C@H]1[C@@H](n1cnc3c(Cl)ncnc31)C2)c1ccccc1 299816466 ATKMRHHZZZBAKX-MXAVVETBSA-N 368.824 3.676 0 1 FHAF CC1(C)OCc2c(Nc3nc4ccccc4s3)nc(-c3cn[nH]c3)nc21 653708732 JSZHVUIZGLCBJP-UHFFFAOYSA-N 364.434 3.985 0 1 FHAF C[C@@]1(C2(O)CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357154 SOULFYCQFSOEIA-AZUAARDMSA-N 356.393 3.954 0 1 FHAF CCN1C(=O)C[C@@H](c2nc3cc(C)cnc3[nH]2)[C@@H]1c1ccccc1Cl 587061581 OGCMDWIAVQPFFA-DYVFJYSZSA-N 354.841 3.997 0 1 FHAF COC(=O)Cc1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526931 SXMANEPNKOCECZ-HXUWFJFHSA-N 366.413 3.693 0 1 FHAF CC(C)COC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592388 GWJBSOYVNOAOPA-RXVVDRJESA-N 370.401 3.702 0 1 FHAF COC(=O)c1cc2[nH]c(Cc3ccccc3C(F)(F)F)nc2cc1OC 587107361 RHXGJASZZXVYOP-UHFFFAOYSA-N 364.323 3.968 0 1 FHAF COc1cccc([C@@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587437041 VRWVAVFLNVMOFM-XXBNENTESA-N 373.408 3.790 0 1 FHAF CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441414 KGYIYCZWLGYJLM-YWMUFLPLSA-N 358.434 3.571 0 1 FHAF Nc1cccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555304 GGGWSIBKIQSVMI-XLIONFOSSA-N 351.333 3.816 0 1 FHAF C[C@]1(CC(=O)Nc2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587535371 KJZCXWJUTKFXEJ-LJQANCHMSA-N 356.447 3.775 0 1 FHAF N=c1ncc(-c2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)c[nH]1 587253793 FRYXVUXOMZXZLC-UHFFFAOYSA-N 356.311 3.513 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccccc1F)[C@@H](C2)C3=O 587425214 AAKGYIKGDYLAIO-RNODOKPDSA-N 350.349 3.713 0 1 FHAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2[nH]c(=N)oc12 587507082 AEKJUMDZSNVUQC-KRWDZBQOSA-N 364.401 3.834 0 1 FHAF Cc1noc(C)c1COc1ccccc1[C@@H]1NCCc2nc3ccccn3c21 962986301 SBULDKGDYOVQSR-NRFANRHFSA-N 374.444 3.753 0 1 FHAF CCn1cc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)n1 962713668 SMAXWBZZRKBEJZ-QRWLVFNGSA-N 359.514 3.978 0 1 FHAF OCCn1nc(-c2cc3ccccc3[nH]2)nc1SCc1ccccc1 1772657656 YTWVPZGQYUNGLU-UHFFFAOYSA-N 350.447 3.711 0 1 FHAF Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)cn1 12454133 YMLHCRIZVSFEIB-QGZVFWFLSA-N 368.387 3.661 0 3 FHAF Cc1ccc(NC2=NC(=O)[C@H](CC(=O)Nc3cccc(C)c3)S2)cc1 17084622 BZJMZKZGYBDSEC-INIZCTEOSA-N 353.447 3.742 0 1 FHAF O=C(CSc1ccc(Cl)cc1)Nc1cc(=O)n(-c2ccccc2)[nH]1 169689636 WVQHIFPIXAQQOE-UHFFFAOYSA-N 359.838 3.550 0 1 FHAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cn2ccccc2n1 166747977 DAMQOVYIJJKZLF-MRXNPFEDSA-N 365.433 3.605 0 1 FHAF CN(CCN(C)C(=O)n1cccn1)Cc1ccc(Oc2ccccc2)cc1 1857539794 WMDGYTJMAPCXBG-UHFFFAOYSA-N 364.449 3.707 0 1 FHAF COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3)C2=S)cc1Cl 1857640925 SZQVYPFKYGWFSE-UHFFFAOYSA-N 364.829 3.621 0 1 FHAF O=C(O)COc1ccc(OCCCOc2cccc(Cl)c2)cc1F 1857656907 JCRGZSDZUGRKLP-UHFFFAOYSA-N 354.761 3.790 0 1 FHAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)NC2CC2)C1 5056229 VCZWYUPHMMGCFI-OAHLLOKOSA-N 373.884 3.794 0 1 FHAF COc1cc(-c2ccc3c(c2)Cc2sc(N)nc2-3)cc(OC)c1OC 13671330 KXEWLRNXWNKWBC-UHFFFAOYSA-N 354.431 3.989 0 1 FHAF CC(C)c1c(O)c2c(c3c1OCO3)C[C@@]1(O)CCCC(C)(C)[C@H]1CC2=O 14758676 DTBDZSSMCMSRSI-SZNDQCEHSA-N 360.450 3.931 0 1 FHAF biogenic COc1cc2c(c3c1C[C@H](O)[C@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2 15121061 LSOMOCKNPBFMAK-LPHOPBHVSA-N 354.402 3.622 0 1 FHAF biogenic COc1cc([C@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2C)cc2c1OCO2 15217744 ALMMZKOPVITQNK-BZHSEUNMSA-N 370.401 3.675 0 1 FHAF endogenous,in-man N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(F)cc1)C(=O)O 27102767 OKNDVBGKGLECQV-XBNGYDHASA-N 369.373 3.819 0 1 FHAF CSc1cccc(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)c1 27556841 LABFIALYPYPGFW-IBGZPJMESA-N 354.519 3.845 0 1 FHAF CN1[C@H]2CC[C@@H]1[C@@H]1COC(=O)CCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 34867449 IRVGZJHWMUWHKA-VNTMZGSJSA-N 370.493 3.699 0 1 FHAF CCOC(=O)N1CCN(C2=Nc3cc(F)ccc3Nc3ccsc32)CC1 55646890 YIYMUJRFZXXAED-UHFFFAOYSA-N 374.441 3.797 0 1 FHAF CCCCC[C@H](/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O)OC 60265249 RGZAEYWCXILWFX-XQFVTEQUSA-N 368.514 3.697 0 1 FHAF COc1ccc(-c2nc(CNCc3cc(OC)cc(OC)c3)co2)cc1 72186471 ROOVWXLSLLYOBN-UHFFFAOYSA-N 354.406 3.657 0 1 FHAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(C)c1)c1ccco1 103192372 CFZXBPSRHNMFMZ-INIZCTEOSA-N 354.295 3.695 0 1 FHAF CC(C)=Cc1c(C)cccc1C(=O)N[C@@]1(C(=O)O)Cc2ccc(F)cc2C1 146781855 MCAZANBPBDWLKT-QFIPXVFZSA-N 367.420 3.909 0 1 FHAF CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccccc1)CCCC3 169686269 HSWTUAONRDQBHN-ZWKOTPCHSA-N 363.461 3.960 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(Cl)ncc3C)C2)cc1 169709751 CLLRCOXYODQTTO-KBXCAEBGSA-N 373.884 3.898 0 1 FHAF Cc1c(COc2ccccc2)nn2c1C(=O)N(c1ccc(F)cc1)CC2 205366985 SZKPLMQIJGQOIN-UHFFFAOYSA-N 351.381 3.570 0 1 FHAF O=C(O)c1cccnc1SCc1nc2cc(Cl)nc(Cl)c2[nH]1 586967203 QKBMQMNCBJYIDM-UHFFFAOYSA-N 355.206 3.650 0 1 FHAF Clc1ccc2ccn(Cc3nc4nc(Br)c[nH]c-4n3)c2c1 587080707 OPRAEDRBYSBADJ-UHFFFAOYSA-N 362.618 3.723 0 1 FHAF O=C(NCc1nc2cncc(Cl)c2[nH]1)c1cccc(C(F)(F)F)c1 587112882 VRGDHLQBQJWJJJ-UHFFFAOYSA-N 354.719 3.560 0 1 FHAF Oc1nccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587115844 CDWYBSTVJLNRSD-UHFFFAOYSA-N 359.105 3.507 0 1 FHAF Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)s1 587276762 VBOGJEYSCDTEAM-UHFFFAOYSA-N 352.209 3.684 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cncc(Br)c1)[C@@H](C2)C3=O 587416910 GDSIPPVCXOVJSP-SUMWQHHRSA-N 360.207 3.516 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccn(CC4CCCCC4)n1)[C@@H](C2)C3=O 587432467 PAVCUKUVVOEWPZ-HRAATJIYSA-N 352.434 3.961 0 1 FHAF CCn1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587579344 DKPZBTYGTAXOBT-XLIONFOSSA-N 350.374 3.620 0 1 FHAF O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587616004 YMMLGLGFSIHSDU-LPHOPBHVSA-N 352.367 3.969 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(C(F)F)n2)N1 587716389 IYNVNSIVUUHTBW-FUXBKTLASA-N 360.177 3.803 0 1 FHAF Cc1cn2c(n1)[C@@]1(CC=C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775606 SHUUSMXFIIZQPH-BTDLBPIBSA-N 362.246 3.745 0 1 FHAF CCOC(=O)/C=C(\C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587795392 ISEJRBKTDLVJAQ-PZHHLTTRSA-N 356.235 3.673 0 1 FHAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O 587810506 XSPMQFZRDIMEMX-VVVCHXIZSA-N 366.230 3.926 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC(=O)C[C@H]3C2)N1 587819208 UFHDVMCNGNEVTL-TVPBPMQISA-N 352.247 3.707 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COCc3ccccc32)N1 587837153 ZUXFTTQMHOJXIJ-BBATYDOGSA-N 362.242 3.896 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc2c1cnn2C 587862997 ACWXNCFAUPOWHY-UHFFFAOYSA-N 373.338 3.848 0 1 FHAF COc1ccc(/C=C/Cc2nc3ccnc(Br)c3[nH]2)c(OC)c1 587930243 RIAGKYMBJATJSP-ONEGZZNKSA-N 374.238 3.994 0 1 FHAF O=c1c2cc3c(cc2ncn1Cc1cccc(-c2ccccc2)c1)OCO3 653711574 STXUSAPWHLIUNO-UHFFFAOYSA-N 356.381 3.841 0 1 FHAF COCCCN1CCc2ccc(OC)cc2[C@H]1c1cnc2ccc(C)cn12 961327180 UDIRLKLQJFZFQG-QFIPXVFZSA-N 365.477 3.635 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@]31CCCC[C@H]1C(=O)C(C)C 963035238 MXHVKYZSMORZLS-JTSKRJEESA-N 352.478 4.000 0 1 FHAF CN1CCc2c(Br)cccc2[C@@H]1Cn1c(=O)oc2ccccc21 963278870 CVVZQKFORLAFKV-INIZCTEOSA-N 373.250 3.586 0 1 FHAF O=C(/C=C/c1ccc(Br)cc1)Oc1ccc2c(c1)C(=O)OC2 1857614255 MGTTUEXHSMQMOZ-FPYGCLRLSA-N 359.175 3.738 0 1 FHAF C[C@]12C[C@@H]3OC(=O)[C@]4(C)CCC[C@@](C)([C@@H]1CC[C@](C)(C=CC(=O)O)O2)[C@@H]34 2356493143 KBJSYEBTIXTTDP-SYGJEQQXSA-N 362.466 3.713 0 1 FHAF CCCCC[C@H](O)C=C[C@@H]1C(=O)CC(=O)[C@@H]1CCCCCCC(=O)O 2356400800 KJWZYMMLVHIVSU-BBWFWOEESA-N 352.471 3.683 0 1 FHAF Cc1c(Sc2ccccc2)n(C/C=C/c2cccs2)c(=O)[nH]c1=O 6520175 ADPOSKVTRRHKDQ-WEVVVXLNSA-N 356.472 3.771 0 1 FHAF O=C1Nc2ccc(F)cc2[C@@H]1CCCCN1CCN(c2ccccc2)CC1 101446233 IBBIDLLHDNJIPV-IBGZPJMESA-N 367.468 3.854 0 1 FHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccccc1OC(F)F 100049258 IORNLQZROQZEMD-XERWBJCMSA-N 367.348 3.709 0 1 FHAF O=C(OCCCF)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)N2 101016794 GBXCFQBRUJWAGV-XUWVNRHRSA-N 370.262 3.576 0 1 FHAF CNc1ccc(-c2cn(-c3ccc([125I])cc3)nn2)cc1 102174571 IOKFQOKMKXKIFI-RFLHHMENSA-N 374.202 3.581 0 1 FHAF O[C@@H](c1ccccc1Cl)[C@@](O)(Cn1ccnc1)c1ccccc1Cl 26009079 VSQNFWFFQKVCHN-ZWKOTPCHSA-N 363.244 3.811 0 1 FHAF CC=CC=C[C@@H]1C[C@@H]2OC(C)(C)[C@@H]3CC=C(C)C[C@@H]3[C@@H]2[C@H](O)[C@@H]1C(=O)O 2356333193 OOJIJOYRIABZDN-OUIJSLBESA-N 360.494 3.966 0 1 FHAF CC(C)Oc1ccc(F)cc1-c1cc(C(=O)NCc2cccs2)[nH]n1 61895505 JLQGIDWKLZXWGE-UHFFFAOYSA-N 359.426 3.995 0 3 FHAF CCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1 82141798 WXBPBQBUHVOUTC-HUUCEWRRSA-N 356.470 3.749 0 1 FHAF Clc1cccc(Oc2cc(N3CCN(c4ccccn4)CC3)ncn2)c1 82067398 XBNVPZQKDAGOGL-UHFFFAOYSA-N 367.840 3.644 0 1 FHAF NC(=S)Nc1cccc(OCCCCCOc2ccc(C(=O)O)cc2)c1 40979874 OOPISIQPRJVYFE-UHFFFAOYSA-N 374.462 3.668 0 1 FHAF Oc1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1 45352589 BFBJCVRLMQHOGJ-UHFFFAOYSA-N 364.142 3.714 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1OCC(C)(C)C 222349146 XBXBORDUPDOLCE-UHFFFAOYSA-N 364.449 3.644 0 1 FHAF Cc1ccncc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1 96168816 XMGXRMAGOKAXIU-UHFFFAOYSA-N 369.428 3.663 0 1 FHAF C[C@]12CCCC[C@@H]1C[C@H](O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 255288064 ZYEOCZJSKXSFRT-MMBQXPGUSA-N 374.521 3.604 0 1 FHAF CC[C@]1([C@@H]2CCCNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598974 ZHILDYHWSGBLDE-CFCCAZDESA-N 353.418 3.502 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(N)cc21 587391162 SOYVNLHIZTWCEE-QHCPKHFHSA-N 370.408 3.613 0 1 FHAF Nc1cncc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 587254643 SZSNZOFZZYHYMO-UHFFFAOYSA-N 368.032 3.732 0 1 FHAF O=C(Nc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587060243 HMDCDTXBWDHUSO-UHFFFAOYSA-N 351.696 3.790 0 1 FHAF CCc1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587793232 QXGUTHNIXDEKLH-PWJLMRLQSA-N 352.251 3.806 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(N)=S)c1)CC2=O 587489235 BRWDLVARHFHWPG-HXUWFJFHSA-N 370.474 3.881 0 1 FHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Cl)ncc3[nH]2)C(F)(F)C1 587132219 NFUFMCDFNBDWCZ-QMMMGPOBSA-N 358.776 3.581 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc2c(c1)OCO2 587872367 WNLFVCBYVFVEGR-UHFFFAOYSA-N 369.352 3.897 0 1 FHAF C[C@]1(c2cnns2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587373713 NAOMQGSQEHHMLO-SJLPKXTDSA-N 356.378 3.657 0 1 FHAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1N 587579745 OYDXPJHOPCBPHL-LAUBAEHRSA-N 363.369 3.686 0 1 FHAF CCOC(=O)[C@H](Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(C)=O 587105588 AFZDQEIUJDDOQG-GOSISDBHSA-N 373.408 3.757 0 1 FHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccnc(Br)c3[nH]2)cc1 587935694 IMJIDXGSCMDHSQ-OTYXRUKQSA-N 362.227 3.566 0 1 FHAF COc1cc2c3c(c1)O[C@H](C1CCN(Cc4cccs4)CC1)[C@@H](C2)C3=O 587449619 GHLVQKJICMHYPI-LAUBAEHRSA-N 369.486 3.785 0 1 FHAF Nc1ccc(C(=O)CCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587251539 IGNSOOBUWFNULD-UHFFFAOYSA-N 371.444 3.792 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C1(C)C)O2 587396921 XDVQVFQLVNYMGW-FQEVSTJZSA-N 360.454 3.701 0 1 FHAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)c1 587933411 NMAWNVVLYUMTSK-UHFFFAOYSA-N 358.401 3.895 0 1 FHAF O=C(COc1ccccc1-c1nc2cnccc2[nH]1)Nc1ccccc1F 587155358 XSPJUPLNSKRFBT-UHFFFAOYSA-N 362.364 3.782 0 1 FHAF COc1ccc2c(c1OC)[C@@H](c1ccc3cnn(C)c3c1)N(C)[C@@H](C)C2 962636879 NSFCMUSUPGFWPD-RNODOKPDSA-N 351.450 3.556 0 1 FHAF CCOC(=O)CC[C@]1(c2ccc(C)c(C)c2)NCCc2ccc(O)cc21 963341575 MKRKUBAPVZJPJT-JOCHJYFZSA-N 353.462 3.742 0 1 FHAF C[C@]1([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)CCCS1 962636886 KCMHSCYLTQBZST-AHRSYUTCSA-N 356.491 3.660 0 1 FHAF Cc1ccc(CN2CC[C@@H](N3CCC(c4ccc(O)cc4)CC3)C2=O)cc1 1772575615 ILUHFPBBZNEUNW-JOCHJYFZSA-N 364.489 3.681 0 1 FHAF O=c1c2cc(Br)ccc2nc2n1CCc1c-2[nH]c2ccccc12 13536415 JYRZNTDXOMXNIW-UHFFFAOYSA-N 366.218 3.863 0 1 FHAF c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1 13610413 IPEQYLWHCRAOTC-UHFFFAOYSA-N 372.432 3.848 0 1 FHAF CC(=O)[C@H]1[C@H](CCc2ccccc2)NC(=O)N(Cc2ccccc2)[C@@H]1C 13816471 VSGYGFSXLCLXFJ-CZAAIQMYSA-N 350.462 3.807 0 3 FHAF C/C=C/c1cc2c(cn1)C(=O)[C@@]1(C)OC(=O)[C@@H](C(=O)CCCCC)[C@@H]1C2 14594772 XZLAVLLIHLWTLQ-SFHCNVCLSA-N 355.434 3.551 0 1 FHAF CC1(C)C=Cc2c(cc3occ(-c4ccc(O)c(C=O)c4)c(=O)c3c2O)O1 14692068 IPYCUHYELBKADC-UHFFFAOYSA-N 364.353 3.868 0 1 FHAF biogenic,in-vitro C[C@@H]1NCCC[C@@H]1Nc1ncc(C(N)=O)c2sc(-c3ccccc3)cc12 169198291 LMQOZGSVTQQPFU-LRDDRELGSA-N 366.490 3.615 0 1 FHAF Cc1cc2ccccc2n1CCNC(=O)c1ccc([C@H]2CCCNC2)cc1 169351821 WEKGPFUJTICXLT-NRFANRHFSA-N 361.489 3.847 0 1 FHAF Cn1ccnc1[C@H]1c2ccc3cccnc3c2Oc2nc3c(c(N)c21)CCC3 1857598533 SSJHPRPWKDNTKY-INIZCTEOSA-N 369.428 3.720 0 1 FHAF N[C@H](C[C@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)O)C(=O)O 13491591 KVKWJAURUHLJDJ-VQTJNVASSA-N 363.413 3.552 0 1 FHAF CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1OC(F)F 26270317 BZTHGDVJBAKAMM-UESPBHMZSA-N 354.309 3.770 0 1 FHAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)O)[C@@H]1c1cccc(-n2ccnc2)c1 26752726 FOQLUWFQRZJZDR-ONZPZFSWSA-N 367.405 3.595 0 1 FHAF c1ccc(-c2cc3ccc(N4CCCCC4)nc3nc2N2CCNCC2)cc1 32063636 FKZSJKOOEIJXNV-UHFFFAOYSA-N 373.504 3.697 0 1 FHAF CCOC(=O)C1=C(C)NC(c2ccc(F)cc2)=C(C(=O)OCC)[C@H]1CC 40936873 OSOLGMXLLGIKGX-HNNXBMFYSA-N 361.413 3.566 0 1 FHAF Cc1nc(OC(F)F)ccc1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O 49048253 SCECCMAHQJCALR-SECBINFHSA-N 370.787 3.916 0 1 FHAF COc1ccc(Oc2c(C=O)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 66114013 QYTUKOZJHJPHBG-UHFFFAOYSA-N 364.401 3.969 0 1 FHAF CCCCN1CCC2(CC1)O[C@@H](OC)Cc1c2cnn1-c1ccccc1 72116168 JJCFTNTUUVOVSO-HXUWFJFHSA-N 355.482 3.509 0 1 FHAF Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)NCC2CC2)c1 82145571 YQGNIPSJIJXNGV-UHFFFAOYSA-N 350.466 3.946 0 1 FHAF COC(=O)c1ccc(Cn2c3ccccc3c3oc(C(=O)OC)cc32)o1 96917717 RCJSGAWUJRLYRR-UHFFFAOYSA-N 353.330 3.602 0 1 FHAF C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@H]1c1ccccc1 195435001 QITUJUVRRULAQB-HCLVMJGWSA-N 373.456 3.803 0 1 FHAF CC(=O)[C@@]12[C@@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@@H]1c1ccccc1)[C@@]32C 195469067 ZXKPEKZKEYGWNX-JITRPMOWSA-N 360.457 3.904 0 1 FHAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)n1 205905377 WHAGRLOXQRGQNP-UHFFFAOYSA-N 360.295 3.690 0 1 FHAF O=c1oc2ccc(-c3ccc(O)cc3)cc2c2c1[nH]c(=O)n2-c1ccccc1 210273373 UHJGVJUJACJMKV-UHFFFAOYSA-N 370.364 3.798 0 1 FHAF COCCOC(C)(C)c1ccc(-c2nc(=O)c3cc(F)ccc3[nH]2)cc1 210813010 IAIXKHJSBQJCKK-UHFFFAOYSA-N 356.397 3.627 0 1 FHAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=Cc2ccc(Cl)cc2)CC1 222830024 SCQRZPLUOKTVJS-UHFFFAOYSA-N 365.886 3.548 0 1 FHAF CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1cccc(Cl)c1 299820654 DGRGEYSAUCFBTB-LJQANCHMSA-N 369.848 3.658 0 1 FHAF COc1cccc(-c2cc(=O)c3cc(Cl)cc(CCCN)c3o2)c1N 299828098 HBLGHJLLZUOZPE-UHFFFAOYSA-N 358.825 3.596 0 1 FHAF Cn1cc(-c2ncc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)s2)cn1 587021663 NMQFOUCYEYZHLZ-UHFFFAOYSA-N 365.340 3.986 0 1 FHAF Fc1cc(F)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 587120283 WAAVICPIDSIZQO-UHFFFAOYSA-N 356.298 3.984 0 1 FHAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 587168543 YYFDFRJIMWPWRO-OAHLLOKOSA-N 368.368 3.800 0 1 FHAF CCOC(=O)[C@@H]1C(=O)Cc2nc3cccc4c3c(c2[C@H]1c1ccccc1)CC4 587212027 OBVAKCKWWJSWSX-FYYLOGMGSA-N 371.436 3.770 0 1 FHAF CCOC(=O)C[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386294 XJFWUJUFXOVXTI-FQEVSTJZSA-N 357.381 3.530 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CSc1ccccc1C(=O)O)O2 587409274 LECWDLSKNFVDRR-IBGZPJMESA-N 357.431 3.792 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1O)CC2=O 587477871 JXEZZPFUVZYQLD-KRWDZBQOSA-N 358.390 3.774 0 1 FHAF O=C1C[C@]2(C[C@H]3CC4(C[C@H]3C2)OCCO4)Oc2c1ccc1c2CCCC1 587534782 FYBHPSLKOXXOQG-JIPZTSHUSA-N 354.446 3.833 0 1 FHAF CCCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579732 WEQTXUNVBAPLAH-APWZRJJASA-N 350.374 3.702 0 1 FHAF CC(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587700305 ALEQVOARZOLOCQ-CPFSXVBKSA-N 368.168 3.859 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CCCC[C@@H]32)N1 587790083 HAYBRMTXETUZLT-LQAWEQHXSA-N 353.279 3.576 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N(C)C)s2)N1 587851812 CSHVRNKXWFPOKI-CLAHSXSESA-N 370.291 3.734 0 1 FHAF COc1ccc(/C=C\Cc2nc3cc(OC)c(OC)cc3[nH]2)c(OC)c1 587930189 QTBDPMLNQQRRSN-WAYWQWQTSA-N 354.406 3.853 0 1 FHAF CNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccccn2)cn1 1857546955 HKXPSXYWUJMHPI-UHFFFAOYSA-N 356.332 3.965 0 1 FHAF CC[C@@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857646352 BNPWSJFCDRPRGJ-CJNGLKHVSA-N 372.415 3.692 0 1 FHAF COc1ccc([C@@H]2O[C@H](C3=C[C@H](OC)[C@H](OC)C=C3)[C@H](C)[C@@H]2C)cc1OC 2356432740 KPICBHIDTSYCGW-WKCPDMQCSA-N 374.477 3.942 0 1 FHAF COc1ccc2c(c1CC=C(C)C)O[C@@]1(C)c3ccc(O)cc3OC[C@]21O 2356649123 AFVOSKFTETWUMH-VXKWHMMOSA-N 368.429 3.797 0 1 FHAF COc1ccccc1C1=N[C@@](C)(CC(=O)Nc2cccc(Cl)c2)ON1C 205217995 LUGFJRQLHVTULH-LJQANCHMSA-N 373.840 3.717 0 3 FHAF Cc1ccc2nc3c(O)n(CCCN4C[C@@H](C)C[C@H](C)C4)cnc-3c2c1 103591240 SRMBGNDOBPFURM-HOTGVXAUSA-N 352.482 3.918 0 1 FHAF CCCc1nc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2[nH]1 26735332 BHCLMCDCKVEHIB-UHFFFAOYSA-N 372.860 3.539 0 1 FHAF Brc1ccccc1COc1cccc2c1cnc1ncnn12 103212724 CXLFMWDRLXIPIA-UHFFFAOYSA-N 355.195 3.619 0 1 FHAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2ccccn2)cc1 100107945 WIZCESSPHIMACD-UBRQYEGLSA-N 355.485 3.997 0 1 FHAF Brc1cccc2ccn(CCN3CCN4CCCC[C@@H]4C3)c12 22940000 SKHCWOWFBIMWGC-MRXNPFEDSA-N 362.315 3.574 0 1 FHAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(-c5cccc(F)c5)ccc4CCN3C(=O)[C@@H]12 61942302 GYSVWVSEDJWVMU-CUCDBKBVSA-N 366.436 3.573 0 3 FHAF COc1ccc(-c2nc3ccc(C(=O)O)cc3nc2N(C)C(C)C)cc1 116231695 JSLJEZDXSJJQFG-UHFFFAOYSA-N 351.406 3.848 0 1 FHAF COC(=O)C1=CCC[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@@H]12 2356759229 UEFMMKXOAVFFCD-YHBQJITHSA-N 366.461 3.605 0 1 FHAF C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1 28363973 RCELUXDYJXBIDG-LBPRGKRZSA-N 370.407 3.560 0 1 FHAF C[C@H]1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C(=O)O)C1 49036403 NZBHIMJNVRNYER-ZDUSSCGKSA-N 353.418 3.753 0 1 FHAF O=c1cc(-c2ccccc2Cl)oc2ccc(CN3CCNCC3)cc12 45284906 LVEXDHXHMNBFKG-UHFFFAOYSA-N 354.837 3.519 0 1 FHAF O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1cccc(Cl)c1 43015157 IDJYDVDVMBIDTE-UHFFFAOYSA-N 366.804 3.698 0 1 FHAF O[C@@H](c1ccc(Br)cc1)[C@@H](Cn1ccnn1)c1ccccc1 96286441 FUDQEWMPINDILM-IRXDYDNUSA-N 358.239 3.558 0 1 FHAF COc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3ccc(C)cn3)cn1)C2 95589964 BDSAMALCMRPPJM-UHFFFAOYSA-N 374.444 3.609 0 1 FHAF COc1c2ccccc2nn1-c1cccc(I)c1 299836251 MOSRNEGSSBNLPC-UHFFFAOYSA-N 350.159 3.639 0 1 FHAF Cc1cc(-c2cnn3c2C(=O)N(c2ccc([C@H](C)O)cc2)C[C@@H]3C)ccn1 299857544 FKQDFIOIDWQKRT-GJZGRUSLSA-N 362.433 3.528 0 1 FHAF COc1ccc(-c2nc3ncc(Cl)c(OCC4CCNCC4)c3[nH]2)cc1 653803318 UBSGGBCEFHAFLS-UHFFFAOYSA-N 372.856 3.665 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CO)cc2)N1 587825130 FXNCVHKRQXTOLJ-BMLIUANNSA-N 350.231 3.704 0 1 FHAF c1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1CN1CCOCC1 586887801 IASKSJZNYDEFIT-ORGXJRBJSA-N 351.494 3.863 0 1 FHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C)c(C)c3[nH]2)cc1 586941157 PITSKRLEPPULGZ-ZHACJKMWSA-N 355.463 3.578 0 1 FHAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Br)cnc3[nH]2)cc1 587935238 HIHAJBPLVSPHEZ-LKFCYVNXSA-N 362.227 3.566 0 1 FHAF CCN(CC)C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587742594 SHXPITFHXGWOHT-DIFFPNOSSA-N 371.294 3.596 0 1 FHAF Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1F 587276149 KYDRAUBPZYROOF-UHFFFAOYSA-N 364.170 3.761 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)o2)N1 587758104 WZQFOTCJUOXDCJ-XXFAHNHDSA-N 353.235 3.871 0 1 FHAF C=C1NC(C)=Cn2nc([C@@]3(C)CC(=O)c4ccc(O)c(CCC)c4O3)cc21 587481823 IORXTFPQGFFSBR-OAQYLSRUSA-N 365.433 3.814 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCc4ccc(OC)cc4[C@H]1C)[C@@H](C2)C3=O 587444940 XLQQZLIIVJNSNZ-RZVZBCHOSA-N 350.414 3.940 0 1 FHAF CSc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587841463 AYSPHGYNYBKYJF-RMLUDKJBSA-N 368.275 3.724 0 1 FHAF Oc1cccc2nc(-c3cc(I)ccc3F)[nH]c12 587183195 VNOXAESZWFCGOI-UHFFFAOYSA-N 354.122 3.679 0 1 FHAF CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587580921 JXAYIZZNPZVEHM-PXNSSMCTSA-N 350.374 3.702 0 1 FHAF CCN(C)c1ccc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cn1 962569071 MCNWKUUIIKHJIL-VBKZILBWSA-N 355.482 3.521 0 1 FHAF COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1N[C@H](C)Cc2c(OC)ccc(OC)c21 963632672 GNPOLWLWKSPQBU-XUSGNXJCSA-N 367.449 3.659 0 1 FHAF CCOC(=O)c1c(N)sc([C@@]2(C)NCCc3cc(Cl)ccc32)c1C 963381273 TUHCBVNQSITSSP-SFHVURJKSA-N 364.898 3.878 0 1 FHAF CC[C@@]1([C@H]2CN(Cc3ccccc3)CCO2)NCCc2cc(C)c(F)cc21 962094450 SRGRCGPFOCLYQC-DHIUTWEWSA-N 368.496 3.786 0 1 FHAF Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1 13588360 JSZHWOWPVKVBDD-UHFFFAOYSA-N 363.389 3.584 0 1 FHAF CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1Cl 206084593 PBYQNLORWAKJIE-UHFFFAOYSA-N 369.856 3.775 0 1 FHAF COc1cc(-c2nc(Cc3c[nH]c4ccccc34)no2)cc(OC)c1OC 1857550594 GJOBPZRRLHPSJD-UHFFFAOYSA-N 365.389 3.835 0 1 FHAF C/C(=C\[C@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@@H](C)O)C(=O)NCCC(=O)O 1857556144 HJAUNTMXTWAWSP-SPPNPTGTSA-N 355.519 3.619 0 1 FHAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(N(C)C)cc2)c1C 833989 RWQZTLOPSMHBQW-UHFFFAOYSA-N 371.462 3.825 0 1 FHAF CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCCC1 1341129 JKEPLTQSKAEDNY-UHFFFAOYSA-N 366.465 3.885 0 3 FHAF C[C@@H]1CC(=O)NN=C1c1cc2ccc(OCCN3CCCCC3)cc2s1 3796038 VMMMKQICQWZCCZ-CQSZACIVSA-N 371.506 3.626 0 1 FHAF CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Nc1ccccc1F 4888224 UWPFPPQQSUMVNR-GOOCMWNKSA-N 361.461 3.905 0 3 FHAF Cc1ccc(C)c(NC(=O)c2nc(C)c(C)nc2C(=O)NCCC(C)C)c1 103182940 MIOOXNLKTPDCGF-UHFFFAOYSA-N 368.481 3.738 0 1 FHAF CCN(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823203 AEHTZESQBYHSRV-UHFFFAOYSA-N 360.262 3.701 0 1 FHAF Cc1ccccc1S(=O)(=O)c1ccc2c(c1)c1c(n2C)C[C@@H]2CC[C@@H]1N2 100632448 QHSDKVDOUICUFL-YOEHRIQHSA-N 366.486 3.669 0 1 FHAF COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C 63540286 ZBYGBITZFKOQTA-UHFFFAOYSA-N 357.211 3.888 0 1 FHAF Cc1cc(NC(=O)C[C@H](N)C(=O)O)ccc1-c1ccc(Cl)c(Cl)c1 28526568 MBQGVKLYPFNSIW-HNNXBMFYSA-N 367.232 3.709 0 1 FHAF COc1ccc(OC)c2c(N3C[C@@H](C)O[C@H](C)C3)cc(C(F)(F)F)nc12 20032933 IQAONXATWUITBO-GHMZBOCLSA-N 370.371 3.884 0 3 FHAF C[C@@](O)(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 214607318 BFVUBWWYMQYGAJ-YCTUMZAHSA-N 354.494 3.856 0 1 FHAF in-vitro COc1cccc(-c2nc3/c(=N/c4cccc(O)c4)[nH]ccc3[nH]2)c1F 74386584 UXJGXXBRBPNVKY-UHFFFAOYSA-N 350.353 3.644 0 1 FHAF O=C(O)c1nnc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)o1 73196690 JPYDFQSDFQSWJU-HNNXBMFYSA-N 368.780 3.777 0 1 FHAF c1ccc(CN2CCC3(CC2)OCCc2c3cnn2-c2ccccc2)cc1 72114874 NYXCZORNZSTDPI-UHFFFAOYSA-N 359.473 3.936 0 1 FHAF CCCCSc1nc2c(ncn2Cc2c(F)ccc(C)c2F)c(=O)[nH]1 40915628 HBJNFZZZFFGCBI-UHFFFAOYSA-N 364.421 3.647 0 1 FHAF C[C@@H](O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 84669590 XWZKPTHOGJKRDY-OAHLLOKOSA-N 372.538 3.713 0 1 FHAF O=S(=O)(c1ccc(F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 147495012 GIDSGFKTPCPZCZ-UHFFFAOYSA-N 365.813 3.704 0 1 FHAF CCOC(=O)[C@@H]1[C@H](C(=O)O)C2(C)c3ccccc3C1(C)c1ccccc12 68572268 GZXZKFKOUWYUNH-ADCVTAOUSA-N 350.414 3.506 0 1 FHAF biogenic CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3ccccc23)CC1 299833046 NKEGMKHBSLFEMP-UHFFFAOYSA-N 353.510 3.999 0 1 FHAF CC(=O)NCCc1ccc(O[C@H]2CCC[C@H](O)C2)cc1-c1cccc(F)c1 653739086 OPQQTXIBRDUNLP-PMACEKPBSA-N 371.452 3.854 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(C2CC2)N1 587741439 NDKNACSTOKXEGZ-OQVJCZGCSA-N 353.279 3.803 0 1 FHAF CCN(CC)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332976 FEWUKIKSZIICPV-TZIWHRDSSA-N 357.425 3.991 0 1 FHAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccn(CC)n3)c2c1 587643236 SDQLQMZWJXTDCM-GFCCVEGCSA-N 353.422 3.915 0 1 FHAF O=C(Cc1cccs1)c1c(CO)oc2cc(Br)cnc12 587276782 VWKFUBWDKUXJAS-UHFFFAOYSA-N 352.209 3.570 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)[C@@H](O)c3ccc(OC)cc3)nc2c1 587935845 JNUWQRZJMYFIHI-DYZYQPBXSA-N 374.824 3.849 0 1 FHAF CC1=C(c2ccc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)NNC(=O)C1 586890809 PHBSZIBEPRSGGV-WEQKERJVSA-N 362.477 3.786 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COCC(F)(F)F)o1)O2 587380189 CAGVFLYDCZACLB-OAHLLOKOSA-N 355.312 3.956 0 1 FHAF COC(=O)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993732 ZWXPIYWGMJCYFW-AWEZNQCLSA-N 359.381 3.745 0 1 FHAF N=c1[nH][nH]cc1[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533052 TYXAFJXIGRWEEI-HXUWFJFHSA-N 365.458 3.672 0 1 FHAF CC(=O)c1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132135 KUCAZWFQTFUDOU-GFCCVEGCSA-N 365.380 3.735 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C2CC2)nc1 587590345 ZJTDXUARPQOFLJ-XLIONFOSSA-N 360.369 3.763 0 1 FHAF FC(F)(F)Oc1ccc2c(-c3nc4cc5[nH]ncc5cc4[nH]3)n[nH]c2c1 587127581 XSXGEWIYNZVAET-UHFFFAOYSA-N 358.283 3.881 0 1 FHAF Cc1ccc2c3c(c(CCNC(=O)C4CC4)cnc13)-c1ccccc1C2=O 586998059 XOUVFULCMSBFMZ-UHFFFAOYSA-N 356.425 3.823 0 1 FHAF CCOC(=O)C(=O)Cc1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587098374 XJLLFRQFUUFYME-UHFFFAOYSA-N 373.408 3.738 0 1 FHAF CC(C)CCOc1cccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962909298 WTYNPBJZMKFKLF-AZUAARDMSA-N 357.425 3.939 0 1 FHAF CCOC(=O)[C@]1([C@H]2CCC(C)(C)CC2=O)NCCc2cccc(Cl)c21 963391044 PAJCLMPNJGXNBO-VBKZILBWSA-N 363.885 3.640 0 1 FHAF CN(C)CCNC(=O)c1cccc2nc3c(nc12)-c1cccc2cccc-3c12 13586910 LJBJBWNIOGGLIE-UHFFFAOYSA-N 368.440 3.722 0 1 FHAF C[S@](=O)c1ccc(C(=O)[C@@H](Nc2nccs2)c2ccccc2)cc1 13588949 OBSDSXVVARSSEP-UPCLLVRISA-N 356.472 3.917 0 1 FHAF NC(=O)c1ccc[n+](CCCCCCCCCN2C=CC(=CN=O)C=C2)c1 162062847 UFMGZMRHXWHASS-UHFFFAOYSA-O 369.489 3.797 0 1 FHAF Cc1ccc(-c2cc3c(NCP(=O)(O)O)ncnc3s2)cc1Cl 169326927 JQHHLVCNLMPXPL-UHFFFAOYSA-N 369.770 3.867 0 1 FHAF Cc1nn(C)c2nc3ccccc3c(N3CCCC[C@@H]3CCN(C)C)c12 169331191 LZBJFHVSDHJTFH-MRXNPFEDSA-N 351.498 3.741 0 1 FHAF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccccc1)c1ccccc1 169337564 AEHSIUQHVJBXBC-NHCUHLMSSA-N 362.381 4.000 0 1 FHAF NCCNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 169703756 ZSCIJBCENWKQKZ-UHFFFAOYSA-N 371.847 3.919 0 1 FHAF Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl 209665567 LOAJYSQBGQBDDR-UHFFFAOYSA-N 368.312 3.921 0 1 FHAF Clc1ccc(Cl)c2c1C[C@H](N1CCN(c3ncccn3)CC1)S2 1857535273 DYUAPUGAJTXWOS-CQSZACIVSA-N 367.305 3.580 0 1 FHAF COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1cc3c(cc1C2=O)CCC3 5539710 DKRRNCHPNPUSKH-UGKGYDQZSA-N 360.413 3.689 0 1 FHAF COc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)CO3 27563140 VKHANCMHYATJMZ-UHFFFAOYSA-N 364.353 3.828 0 1 FHAF biogenic c1ccc2c(c1)C1CC2(CN2CCC(N3CCOCC3)CC2)c2ccccc21 29475877 XRQRHICCLPKPHO-UHFFFAOYSA-N 374.528 3.618 0 1 FHAF CCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(OC)ccc1OC 38140444 DAZRHNZMUSAPGU-UHFFFAOYSA-N 353.422 3.573 0 1 FHAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(OCc3ccccc3)c(F)c21 40916878 FGIPLRYRJRASLL-UHFFFAOYSA-N 359.328 3.577 0 1 FHAF CN1C(=O)[C@]2(Nc3ccccc3S2)c2cc(OC(F)(F)F)ccc21 49053653 GHSHSDRDYUMTFY-HNNXBMFYSA-N 352.337 3.932 0 1 FHAF O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccccn1 66128908 UJJXLRBGIDDAHN-HXUWFJFHSA-N 350.805 3.584 0 1 FHAF CN1CCC(CCn2c(N)nc3ccc(C(=O)c4ccccc4)cc32)CC1 84707304 DDJLRXRKPYHDBP-UHFFFAOYSA-N 362.477 3.581 0 1 FHAF c1ccc(COc2ccccc2[C@H](Nc2ccccc2)c2nnn[nH]2)cc1 103262910 IJYQXJRSRZAAPQ-FQEVSTJZSA-N 357.417 3.980 0 1 FHAF Cc1ccc2nc(C)c3nnc(-c4cc([C@H](C)O)ccc4Cl)n3c2n1 145736439 PIORYLQQPPKALN-NSHDSACASA-N 353.813 3.663 0 1 FHAF CCNC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299819498 BQWMLHMOZSVPKK-DCIWYKSFSA-N 360.542 3.602 0 1 FHAF COc1ccc(-c2c(-c3ccc(F)cc3)[nH]c3nc(N)nc(O)c23)cc1 299824298 BOVQNMYSKDLPQJ-UHFFFAOYSA-N 350.353 3.727 0 1 FHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(F)c(C)c3[nH]2)c1 586931041 SKYGKELPMMCDMH-UHFFFAOYSA-N 361.442 3.708 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 586950166 BNTQBHVBOKDGSN-UHFFFAOYSA-N 371.340 3.500 0 1 FHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cncc(C)c2[nH]1 587112422 JSCUQGOSSHFJKN-KRWDZBQOSA-N 362.355 3.685 0 1 FHAF COC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(N)cc3)nc2c1 587251617 JZKAPBZLCMDQLI-DAXSKMNVSA-N 372.222 3.865 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)C(C)C)c1)[C@@H](C2)C3=O 587433498 RINAIEUDXZKMPS-JTSKRJEESA-N 365.429 3.953 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1[C@H]1CCCCO1)CC2=O 587475175 JVZBYFFLTRGZHL-RBUKOAKNSA-N 356.422 3.947 0 1 FHAF CS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587503337 GKUYGYFJBHIAGB-GOSISDBHSA-N 374.433 3.815 0 1 FHAF CCOC(=O)C[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515189 LPOVFHCXCQNJJS-QFIPXVFZSA-N 365.429 3.774 0 1 FHAF Cn1cc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2n1 587582826 RHNZKAFNHMXNGA-PGRDOPGGSA-N 372.380 3.982 0 1 FHAF Cc1cn2c(n1)[C@@]1(CC=C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590858 ZPQQIULALGNAJP-UTKZUKDTSA-N 360.369 3.629 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H]1C[C@@H]2CCC1=O 587601242 CIKKJCFEOQDVKC-XOMMZODVSA-N 364.397 3.872 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)C=C2Cl)N1 587704942 LOEDHORGMLSNTA-PSLIRLAXSA-N 357.654 3.857 0 1 FHAF CCN(CC)C(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587742596 SHXPITFHXGWOHT-PIGZYNQJSA-N 371.294 3.596 0 1 FHAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587773906 SCYVQCROANORAM-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF COc1cc2c(cc1OC)[C@@H](c1coc3ccccc3c1=O)N(C)[C@@H](C)C2 962645558 ZXUAOPZDMFPVKO-ZSEKCTLFSA-N 365.429 3.776 0 1 FHAF CC(C)(C)[C@@]1(c2cc3ccccc3nc2N)NCCc2nc3ccccn3c21 962989478 QKMHMMDZLMAATN-QHCPKHFHSA-N 371.488 3.900 0 1 FHAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccccc1OC(=O)N(C)C 963269239 GUOGERKXPIVLMJ-GOSISDBHSA-N 360.841 3.644 0 1 FHAF Nc1nc(NCCCc2ccccc2)nc2sc(-c3ccco3)nc12 1772626066 MSBBAXWACYQBNB-UHFFFAOYSA-N 351.435 3.973 0 1 FHAF CCCCNC(=O)c1c(NC(=O)c2ccc(F)cc2)nc2ccc(C)cn12 1857583948 NSBAUHGQXJWPTB-UHFFFAOYSA-N 368.412 3.564 0 1 FHAF Cc1cc2nccn2c2sc(C(=O)N[C@H]3CCc4ccccc43)c(N)c12 1857600108 LGPLGMCWRAWTIM-AWEZNQCLSA-N 362.458 3.857 0 1 FHAF Fc1ccc(CO[C@@H](Cn2cncn2)c2ccc(F)cc2F)c(F)c1 1857773991 CTQFQICKAGORIA-KRWDZBQOSA-N 351.303 3.793 0 1 FHAF COc1ccccc1-c1cn2c(n1)CO[C@H](CNCc1ccc(C)cc1)C2 2356299160 ACUCFDQVYPSVPT-GOSISDBHSA-N 363.461 3.556 0 1 FHAF CCCCOCCC[C@H](C)[C@@H](O)[C@@H](C)C(=O)C(C)(C)C=CC(=O)OC 2356706963 CLECXPHLYXJGEV-LZLYRXPVSA-N 356.503 3.541 0 1 FHAF Brc1ccccc1-n1nnc(-c2cnc3ccccc3c2)n1 12726060 QWYGLLZAXASXLM-UHFFFAOYSA-N 352.195 3.640 0 3 FHAF CCSc1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@H](O)CO 13139555 OYTJAOJMSXMYPC-KRWDZBQOSA-N 354.475 3.682 0 3 FHAF CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CCCCCCCCc2ccccc21 61959211 SAOZMKNZDLVYHG-XMSQKQJNSA-N 374.477 3.857 0 3 FHAF Cc1ccc(-c2c(C(=O)NC3CCN(C)CC3)cnn2-c2ccccc2)cc1 58538418 GBRVBCRCTKVVMJ-UHFFFAOYSA-N 374.488 3.672 0 1 FHAF CC1(C)C(=O)CC[C@H]2[C@]34CC[C@]5(C)C(=O)CC[C@@]5(C)[C@@H]3C=C[C@@]21OC4=O 59205357 ZZCFOYQURYOXSX-DLEZPRSYSA-N 356.462 3.629 0 1 FHAF Nc1cc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)ccc1Cl 114337580 UXMYPZHYVIRZFL-INIZCTEOSA-N 355.873 3.875 0 1 FHAF COc1cc(NC(=O)[C@H]2CCCO2)ccc1NC(=O)c1ccccc1Cl 66076610 IMVLLDUKTUXHTD-MRXNPFEDSA-N 374.824 3.718 0 1 FHAF CCCOc1ccc([C@@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 116828946 LXLZQHXIYRTXLA-SFHVURJKSA-N 354.385 3.762 0 1 FHAF COC(=O)c1oc2ccccc2c1NC(=O)CCSc1ccccn1 64512378 ZTZLEQSLGHCUDT-UHFFFAOYSA-N 356.403 3.735 0 1 FHAF COc1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117435847 PURKIMHKDQGDHR-NQIIRXRSSA-N 361.445 3.906 0 1 FHAF COCOc1cccc(CN2CC[C@](C)(Oc3ccc(C(C)=O)cc3)C2)c1 61902701 PMCWJKUXICNUPW-QFIPXVFZSA-N 369.461 3.915 0 3 FHAF COc1ccc([C@@H]2COc3cc4occc4cc3C2=O)c(OC)c1OC 5520076 PWEWBHDLPRFGPA-AWEZNQCLSA-N 354.358 3.818 0 1 FHAF biogenic CCCCC[C@H](O)/C=C/C=C(/CCCCCCCC(=O)O)C[C@H](O)CO 85490969 VEDXQLNICSIAQV-JTTQUOFESA-N 370.530 3.969 0 1 FHAF biogenic,in-vitro CCCCC[C@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 40670881 OMZWQYNMKBPQOL-RIWFRRHWSA-N 369.505 3.740 0 1 FHAF CN(CC[C@@H](c1ccc(F)cc1F)N1CCOCC1)Cc1ccccc1 148976693 GPZZVYRXCADSAJ-NRFANRHFSA-N 360.448 3.860 0 1 FHAF C[C@]1(CC(=O)O)[C@H](CC(=O)O)CC[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]2CC[C@]1(C)O 238751857 GLMFZHFDUVUNOC-IVEVATEUSA-N 352.471 3.546 0 1 FHAF CCC[C@H](C)Nc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](O)CC2)n1 261101558 GJZCXJLZZFATOM-JYJNAYRXSA-N 355.486 3.855 0 1 FHAF COC(=O)N(C[C@H]1CCCN1C)C1(c2ccc(F)c(C(F)(F)F)c2)CC1 2382223285 QSACBKBMELRLBA-CYBMUJFWSA-N 374.378 3.996 0 1 FHAF CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 473128426 ZOBIUMDGKNIQPA-INIZCTEOSA-N 369.461 3.863 0 1 FHAF COc1ccc(OC)c(-c2cc(-c3ccc(C(=O)N(C)C)s3)on2)c1 653836250 WELLQTNIQNKCLI-UHFFFAOYSA-N 358.419 3.789 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(C(=O)O)cccc31)CC2=O 587480093 FDWZJSMYIAJOOK-NRFANRHFSA-N 352.386 3.850 0 1 FHAF Ic1cnc2[nH]c(/C=C\c3ccsc3)nc2c1 587026832 YFYOLTOIGYCBOW-UPHRSURJSA-N 353.188 3.794 0 1 FHAF O=C(O)/C=C/c1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586881265 VEVHWMXTPLGSPO-AATRIKPKSA-N 368.702 3.742 0 1 FHAF C[C@]1(c2cccc(O)c2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577504 KUKGDLADCSILFR-LAUBAEHRSA-N 363.369 3.557 0 1 FHAF CS(=O)(=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587060848 OFQCVAKDENYQNU-UHFFFAOYSA-N 373.821 3.942 0 1 FHAF Oc1nncc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587151088 PSCWHFZPLUEJQH-INIZCTEOSA-N 354.316 3.505 0 1 FHAF COc1cccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587126521 YCBXJNMQTLNJIT-PRHODGIISA-N 351.332 3.743 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(O)ccc2N)N1 587746912 IWOLKMSTGZHZKH-VVVCHXIZSA-N 365.246 3.674 0 1 FHAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587769417 GCRBCRZMGRSNJL-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF N[C@]1(c2nc3cc(Br)cc(F)c3[nH]2)C[C@H]1c1ccccc1F 587155057 HOZOCRWSYZHFJZ-MGPLVRAMSA-N 364.193 3.945 0 1 FHAF Fc1cc(-c2nc3c(Br)ccnc3[nH]2)cc(N2CCCC2)n1 587177682 UAEODDHHGQNWAB-UHFFFAOYSA-N 362.206 3.522 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CCO)cc1 587607970 JNCRAKZHTYLIAU-KNQAVFIVSA-N 362.381 3.630 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(=O)O)cc1)(c1cc[nH]c1)O2 587396403 KQYMHAROFYOUSW-NRFANRHFSA-N 362.385 3.513 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12Cc1ccccc1C2=O 587604712 VLFKLPDIOQZPDV-AVRDEDQJSA-N 358.349 3.532 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1nn(C)cc1Br)CC2=O 587461613 XUMZQCUDOARSNX-AWEZNQCLSA-N 365.227 3.547 0 1 FHAF C[C@@]1(c2cc(C(=O)O)co2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616693 LZYGXUMASXNVEH-JXFKEZNVSA-N 366.325 3.560 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(C)(=O)=O)s1)CC2=O 587488738 QVQJWLDUYLQZGU-AWEZNQCLSA-N 366.460 3.516 0 1 FHAF Cc1cncc2nc(-c3cc(I)ccc3F)[nH]c12 587182875 PXMXWDPRXGSTHS-UHFFFAOYSA-N 353.138 3.677 0 1 FHAF Cc1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 587038943 VOAIGEHQQNCJPQ-LLVKDONJSA-N 353.451 3.619 0 1 FHAF CN(C)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587573110 RPOZAXRUQSGZQH-GHTZIAJQSA-N 362.385 3.556 0 1 FHAF CCOc1ccc(-c2n[nH]cc2[C@@H]2NCCc3c2c(C(C)C)nn3C)cc1 962921639 UVGBTDYDVZZWTA-NRFANRHFSA-N 365.481 3.567 0 1 FHAF Cc1ccc(NC(=O)C[C@]2(C)NCCc3c2c(C(C)C)nn3C)cc1Cl 962915868 VQRLTCVWALRFJB-FQEVSTJZSA-N 374.916 3.895 0 1 FHAF COc1ccc(CNC(=O)c2ccccc2-n2cc3ccccc3n2)cc1 1772602764 XRFIKWBKSKRGFM-UHFFFAOYSA-N 357.413 3.964 0 1 FHAF O=C(N[C@H]1COc2ncccc21)C1(c2ccc(F)cc2Cl)CCCC1 206031768 KEQZPVWOVUFEBQ-INIZCTEOSA-N 360.816 3.936 0 1 FHAF CN=c1ccnc(Nc2ccc3cc(C)n(-c4cccnc4Cl)c3c2)[nH]1 1857612015 QWGZGGRDAQUBGS-UHFFFAOYSA-N 364.840 3.985 0 1 FHAF CCN(CC)CCOc1ccccc1O[C@H](Cc1ccccc1)[C@@H](C)O 1846826 IRAGMKKYEVTXEC-XMSQKQJNSA-N 357.494 3.778 0 1 FHAF CCOC(C(=O)OC[C@H]1CCCN1C)(c1ccccc1)c1ccccc1 2037236 TYROIZSRPIPTQK-HXUWFJFHSA-N 353.462 3.604 0 1 FHAF O=C(Nc1ccc(Cl)cc1)[C@H]1CC=CC[C@H]1C(=O)OC[C@@H]1CCCO1 4110454 UHCKTBHCFZLURK-YESZJQIVSA-N 363.841 3.583 0 1 FHAF Cc1ccc(-c2c(S(=O)(=O)c3ccccc3)cnc3cc(C)nn23)cc1 5127353 DUVDMDYFLATNEY-UHFFFAOYSA-N 363.442 3.846 0 1 FHAF O=C1CS[C@H](c2c(F)cccc2F)N1c1ccc(Br)cn1 13492446 LBRDMVUKHABDGX-CQSZACIVSA-N 371.206 3.901 0 1 FHAF CC(C)=CCC/C(C)=C/CCC[C@H](P(=O)(O)O)[P@](=O)(O)CO 13742085 MOUIHKXMHOTURX-CZAWJFPGSA-N 354.320 3.573 0 1 FHAF COc1ccccc1NC(=O)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1 28379433 XFLVHLDPCOIUCD-WMZOPIPTSA-N 356.422 3.710 0 1 FHAF CCOc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 28395005 MDOUHMAMLHPZGT-UHFFFAOYSA-N 361.380 3.929 0 1 FHAF COc1ccc(-c2nnsc2-c2cc(OC)c(OC)c(OC)c2)cc1O 28820957 CKVJTIBVQWUORX-UHFFFAOYSA-N 374.418 3.612 0 1 FHAF Cc1nnc(-c2cn3ncnc(Nc4cnc5[nH]ccc5c4)c3c2C(C)C)o1 29047703 LQNDDQQRHZEHDD-UHFFFAOYSA-N 374.408 3.831 0 1 FHAF COc1ccc2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2c1 45388477 KYZOWSQFXBIJRQ-UHFFFAOYSA-N 353.374 3.500 0 1 FHAF CCCSc1nc(NC(C)=O)c(N(CCC)CCC)c(OCC)n1 73167076 DDIKJVRXGDPJJH-UHFFFAOYSA-N 354.520 3.962 0 1 FHAF COc1ccccc1CNc1cc(Oc2cccc(NC(C)=O)c2)ncn1 82068287 NEROXKMOSCWCIF-UHFFFAOYSA-N 364.405 3.848 0 1 FHAF COc1ccc([C@H]2CC[C@@H](N3CCN(c4ccccn4)CC3)CC2)cc1 100086261 PQGLTWUOVHNAGW-KESTWPANSA-N 351.494 3.939 0 1 FHAF Nn1c(COc2ccc(Cl)cc2Cl)nc2cccc(Cl)c2c1=O 103177867 XGZCGVRMOZUUTK-UHFFFAOYSA-N 370.623 3.650 0 1 FHAF COc1ccc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(Cl)cc2)cc1OC 203674729 DCKRUYAVEILBBV-WBVHZDCISA-N 360.837 3.932 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)nn1C)CC2=O 587464143 JNPOGIYSVVMWGL-AWEZNQCLSA-N 354.328 3.804 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)nn1C)CC2=O 587464144 JNPOGIYSVVMWGL-CQSZACIVSA-N 354.328 3.804 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC(=O)O)c1)CC2=O 587486109 YGJDSTKBWDYSEX-GOSISDBHSA-N 356.374 3.515 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1[nH]c(O)cc12 587588549 LCBZIDQZMYMCAB-RXVVDRJESA-N 363.369 3.619 0 1 FHAF CO[C@@H]1[C@H](C)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587600240 NEQJBMOCHHDVDL-ZYTXUZIBSA-N 354.402 3.784 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)nn2)N1 587701409 BLBLGXCGSQUMKI-AYVTZFPOSA-N 370.653 3.829 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(CC(F)F)n2)N1 587713420 CWBJWZCSLZHIEQ-AYVTZFPOSA-N 374.204 3.673 0 1 FHAF COc1ncc(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587766275 FXSPNMBMSVJFKM-QLJPJBMISA-N 365.246 3.924 0 1 FHAF COC(=O)C[C@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806027 IJQYIIFZPLYWJA-DYZYQPBXSA-N 370.262 3.681 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc([C@@H](C)O)s2)N1 587852762 IOUNYZIVLIYBOU-WFEFGEHDSA-N 371.275 3.722 0 1 FHAF COc1ccc(CCCc2nc3cc4c(cc3[nH]2)OCCCO4)c(OC)c1 587928302 BSHMYDACWCQCSS-UHFFFAOYSA-N 368.433 3.917 0 1 FHAF COC(=O)C[C@]1(c2ccccc2OC)c2ccc(F)cc2C[C@H]2CCCN21 963104937 IRMIAJSMPJHPOO-VGOFRKELSA-N 369.436 3.662 0 1 FHAF COc1ccc(-c2ccc(Cn3cc(-c4cccc(N)c4)nn3)cc2)cn1 1857543131 MIIRGIJHJBFFEA-UHFFFAOYSA-N 357.417 3.646 0 1 FHAF COc1ccc([C@H]2[C@H]3CCCC3=NN2S(=O)(=O)c2ccc(C)cc2)cc1 1857595101 QGALVWOWVDVKHZ-ICSRJNTNSA-N 370.474 3.905 0 1 FHAF CC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccccc1c2=O 61921304 GHXQCNNAOOKCMZ-KRWDZBQOSA-N 355.397 3.733 0 3 FHAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OC 4049903 SGZCOJXRSHIJTE-UYAOXDASSA-N 352.434 3.703 0 1 FHAF C/C=C/OC(=O)N[C@@H](c1cccc(C)c1)[C@@]1(C(=O)OCC)CCCC1=O 7992444 NLWAGDMOIJCVIK-LYMTUSLGSA-N 359.422 3.598 0 1 FHAF COc1cccc(-c2oc3ccc(C(=O)O)cc3c(=O)c2OC(C)C)c1 26996048 XDEVZFNXASVLDO-UHFFFAOYSA-N 354.358 3.954 0 1 FHAF COc1ccc(Cl)c(-c2nnc3sc(-c4ccnc(F)c4)nn23)c1 28712877 WIDZPXITZOSZLI-UHFFFAOYSA-N 361.789 3.716 0 1 FHAF CC(C)(C)CN1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 2356305800 HYSBITGMWBFSHD-KGLIPLIRSA-N 361.461 3.703 0 1 FHAF C[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1Br 29406966 ASLDMDSWKLKXET-HABKJSAYSA-N 352.272 3.721 0 1 FHAF COC(=O)C/C=C/[C@H](C)[C@@H](OC)c1c(Br)ccc2c1OCO2 66123289 WGONEYCOJVMLLL-MBUKXHMDSA-N 371.227 3.621 0 1 FHAF CC(C)N(CC[C@]1(c2ccccc2)C(=O)N(C)CN2CCCC[C@@H]21)C(C)C 28263445 XVCZCYUYZBKPJS-FYYLOGMGSA-N 371.569 3.717 0 1 FHAF C[C@]12CC[C@@H]3c4ccc(C(F)(F)c5nnn[nH]5)cc4CC[C@H]3[C@@H]1CCC2=O 29329167 HLPBYDUZWWQORP-JEWRLFTDSA-N 372.419 3.765 0 1 FHAF CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCCC2)CC3)nc1 38824995 NNOXITASPLLHMA-UHFFFAOYSA-N 365.477 3.577 0 1 FHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](CCCO)(c1ccccc1)C(=O)N2 219429962 CEZPKJQKWMUCGW-QFIPXVFZSA-N 362.429 3.969 0 1 FHAF CC[C@@]12C=C(C(=O)OCOC)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 31494242 YFTYPMACWTZHPH-IRLDBZIGSA-N 366.461 3.732 0 1 FHAF CCCCCCc1cn(-c2ccc(C(=O)N3CCCCC3)c(O)c2)nn1 71317382 CIGBNWAQQWCULV-UHFFFAOYSA-N 356.470 3.722 0 1 FHAF COc1ccc(CNc2ncnc3c2ncn3C2CCCC2)c(OC)c1 40845893 CTKITXPTJKNAOZ-UHFFFAOYSA-N 353.426 3.571 0 1 FHAF C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 40950623 ONEBFVOLCNKTSV-QFBILLFUSA-N 372.896 3.888 0 1 FHAF CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@@H]1CC(=O)NCc1ccc(OC)cc1 25430063 ONVQFXOABOEKRL-ZWKOTPCHSA-N 374.525 3.622 0 1 FHAF biogenic COc1ccc(/C=C/OC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 238737351 FFJRMUMVFUHXCF-OFJXCKHESA-N 370.401 3.948 0 1 FHAF Cc1ccc2nc(C)c3nnc(-c4cc(C5(O)CCC5)ccc4C)n3c2n1 145748192 ZPHARGNXMIULAZ-UHFFFAOYSA-N 359.433 3.636 0 1 FHAF COc1ccc(C2=NN(C(C)C)C(=O)C2(C)C)cc1OCc1cc(C)on1 95557581 SNQYPBPLTXBKPM-UHFFFAOYSA-N 371.437 3.552 0 1 FHAF Cc1ccnc(NC(=S)N2CCN(c3cc(F)cc(Cl)c3)CC2)c1 95570523 NEAKAPIJVFVFLQ-UHFFFAOYSA-N 364.877 3.702 0 1 FHAF CC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@H]1c1ccccc1)[C@@]32C 299813971 ZXKPEKZKEYGWNX-DKQPQCJKSA-N 360.457 3.904 0 1 FHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(F)cc(F)c3[nH]2)C(F)(F)C1 587131832 DGDCBWHXBMTXHB-SECBINFHSA-N 359.323 3.811 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn2c(C)cccc2n1 587871910 FDJQUGAYPFNLNT-UHFFFAOYSA-N 364.380 3.733 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3c(cc2[nH]1)OCO3 587078752 AXPBYZHOENDQSW-LBPRGKRZSA-N 354.797 3.669 0 1 FHAF Cc1ccc2c(n1)NCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595914 PVLQDYROIZZVQB-GCJKJVERSA-N 374.396 3.768 0 1 FHAF COc1ccc2c(-n3ncc4ccc(Cl)cc4c3=O)cc(C)nc2c1 587652885 MVEJOLUSYMTHGX-UHFFFAOYSA-N 351.793 3.904 0 1 FHAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cncnc2[nH]1 587035066 NKQHHADJMMSXNC-LBPRGKRZSA-N 351.435 3.839 0 1 FHAF COC(=O)c1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cn1 587113764 ZOSSRPCKIJDBCF-UHFFFAOYSA-N 372.306 3.979 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)nn2)N1 587704578 JPHSGGHTXPPQQW-NXSYQRQQSA-N 356.626 3.655 0 1 FHAF Cc1nc2[nH]c(C[C@H](N)c3ccccc3Cl)nc2cc1Br 587055402 BJTOACBLMFRAHU-LBPRGKRZSA-N 365.662 3.925 0 1 FHAF COC(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355405 XPOFMCNHJPJLSA-MDKPJZGXSA-N 370.376 3.602 0 1 FHAF CC(C)N(C)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573948 VIDVUIGICFVZEN-WIYYLYMNSA-N 355.434 3.843 0 1 FHAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 586984484 RIWYNCGYYYEWPN-JTQLQIEISA-N 370.172 3.985 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(Cl)cc(Cl)c21 587380532 VVYQHJGOHFFQIX-KRWDZBQOSA-N 363.200 3.697 0 1 FHAF CC(C)(C)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2n1 587035231 QMXDEWIGIVLRFS-UHFFFAOYSA-N 354.479 3.736 0 1 FHAF COc1ccc([C@]2(C[C@H](C)C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403688 PQSJKCZUXQZTCM-ZSEKCTLFSA-N 369.417 3.557 0 1 FHAF COc1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1CO 962703497 MOAJORYIAFDQDX-IERDGZPVSA-N 373.493 3.780 0 1 FHAF CN1CCC[C@@H]1CCNC(=O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 13451345 NZYFTXGDQKJVTP-VKJFTORMSA-N 362.901 3.973 0 1 FHAF CCO[C@H]1OC(C(=O)O)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO 13634606 OJHZGGMQRDQLCI-ZQIUZPCESA-N 374.355 3.539 0 3 FHAF CN(C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C1CCC1 13738804 WAGDYUJHDQNZLO-FQEVSTJZSA-N 368.521 3.614 0 1 FHAF CCCc1cc(=O)oc2cc(N3CCC(O)CC3)c3c(c12)OC(C)(C)C=C3 169342940 OPHHSLAQRQYDMB-UHFFFAOYSA-N 369.461 3.891 0 1 FHAF COc1ccc(O)c(C(=O)Nc2cnc(O)c(-c3cccc(C)c3)c2)c1 1857644955 CIGCHVHKWGFXHT-UHFFFAOYSA-N 350.374 3.729 0 1 FHAF COc1ccc(C(=O)c2nccc3c(OC)c(OC)c(OC)cc23)cc1 6018212 XQBHRWCIOAUHCK-UHFFFAOYSA-N 353.374 3.500 0 1 FHAF biogenic CC(=O)O[C@@H]1CC=C2C(=O)c3occ(C)c3[C@H](OC(=O)C(C)C)[C@@]2(C)[C@@H]1C 13322874 YQMOEUUXIOCHQC-CNIMAGEUSA-N 374.433 3.929 0 1 FHAF biogenic CCc1c(C)[nH]c(=O)c(SCCC(N)=O)c1Oc1cc(C)cc(C)c1 28818671 FVSXPIUBZOXYMX-UHFFFAOYSA-N 360.479 3.622 0 1 FHAF O=C(NCCc1c[nH]c2ccccc12)C(=O)c1c[nH]c2c(Cl)cccc12 28950282 CRJWUKBCLNHMEU-UHFFFAOYSA-N 365.820 3.844 0 1 FHAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1)c1cccs1 35259308 CXEMRKSMYCZKCH-HNNXBMFYSA-N 374.326 3.994 0 1 FHAF CCN1CCc2cc(OC)c(OC)c3c2[C@H]1Cc1cc2c(cc1-3)OCO2 64415835 TXCJYBYVNMEZBY-OAHLLOKOSA-N 353.418 3.575 0 1 FHAF Cc1ccc(NC(=O)NCCCCNC(=O)N(O)c2cccc(C)c2)cc1 68586748 NGXWEULNXBSLSH-UHFFFAOYSA-N 370.453 3.811 0 1 FHAF biogenic CCC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95877936 NVJLVHOQCBPQQV-NQSCKRDGSA-N 368.452 3.603 0 1 FHAF Cc1nc(-c2ccccc2O)cc(N2CC(c3nc4ccccc4n3C)C2)n1 141614229 RUYMWZGTVJYYNK-UHFFFAOYSA-N 371.444 3.648 0 1 FHAF COc1cccc([C@H](C)Nc2ncc(F)c(N3C(=O)OC[C@@H]3C(C)C)n2)c1 142055963 FLGICLBYECGHCZ-BLLLJJGKSA-N 374.416 3.779 0 1 FHAF Cc1ccc(N2CCc3ncnc(N(C)Cc4ccc(F)cc4)c3C2)nc1 202609179 AXVQYOKYRSALEZ-UHFFFAOYSA-N 363.440 3.518 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1c3cc(OC)c(OC)cc3[C@@H](C2)N(C)[C@H]1C 210776351 KDHOOJMMEFSELE-UZWKXWHHSA-N 369.461 3.784 0 1 FHAF Fc1cc(Cl)ccc1-c1ncnc2c1cnn2CCN1CCCCC1 219018888 DUNZOWKLQWIYTR-UHFFFAOYSA-N 359.836 3.772 0 1 FHAF c1ccc(OC[C@H]2[C@H]3CN(Cc4nc5cccc6c5n4CCC6)C[C@@H]23)cc1 253668587 YNRYFNKQPSKVQR-ACDBMABISA-N 359.473 3.739 0 1 FHAF O=S(=O)(c1ccccc1)N1CCCc2cc(-c3cccnc3)ccc21 299823032 JOQVFYVLPZOLLE-UHFFFAOYSA-N 350.443 3.890 0 1 FHAF CCc1ncccc1Oc1cc(CCCC(C)(C)O)cnc1NC(=O)NC 299840095 UKIPUFLXFPRFNY-UHFFFAOYSA-N 372.469 3.676 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](C(=O)O)CC3 586989712 CSYVDUZRWFIMJK-LLVKDONJSA-N 359.381 3.731 0 1 FHAF CC(C)(Cl)c1nc2c(Br)cnc(Br)c2[nH]1 587009012 REZZMIUTMFYLIE-UHFFFAOYSA-N 353.445 3.957 0 1 FHAF NS(=O)(=O)c1cccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 587153667 YASPRBFLBALBNN-UHFFFAOYSA-N 367.405 3.683 0 1 FHAF COc1nccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587191339 TWDIULCYVYFWSU-MRXNPFEDSA-N 368.437 3.923 0 1 FHAF CCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347095 LBMHHSMZJOXZKR-QUCCMNQESA-N 358.365 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1NC(=O)OC(C)(C)C)O2 587391524 UZCYBLNSMBUGPH-JXFKEZNVSA-N 360.454 3.749 0 1 FHAF COc1cc2c3c(c1)O[C@](Cc1ccncc1)(c1ccccc1)[C@@H](C2)C3=O 587435662 HZNFTQQUULFCSU-WMZHIEFXSA-N 357.409 3.976 0 1 FHAF CS(=O)(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587507763 SEWXCTBWUGQFDM-SFHVURJKSA-N 374.433 3.815 0 1 FHAF O=C(O)COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521556 IHJUXADNOQZLEX-LJQANCHMSA-N 352.386 3.735 0 1 FHAF C[C@]1(c2ccc(N)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553390 APUXJNQPTMZCBQ-GHTZIAJQSA-N 365.360 3.991 0 1 FHAF Cc1nc(O)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587774552 WIOVZSCORBXMHK-VVVCHXIZSA-N 365.246 3.795 0 1 FHAF CCOC(=O)/C=C(\C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800719 YLGJPXJDQFVNOC-HOLWLAPLSA-N 370.262 3.847 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cnc2ccccc2n1 587868861 VNKAEOXSMHKSKE-UHFFFAOYSA-N 371.322 3.905 0 1 FHAF COC(=O)c1ccc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2c1OC 587931755 NOMQFBVKJYRLGP-GFCCVEGCSA-N 354.406 3.713 0 1 FHAF COc1ccc2c(c1)[C@](Cc1ccc(F)cc1)(C(=O)O)N(C(C)C)CC2 962091040 KRBRBTJSSKXJHE-OAQYLSRUSA-N 357.425 3.623 0 1 FHAF CC1(C)[C@H]2CC[C@@]1(C)[C@@]1(N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)C2=O 962727820 BCNYTCBBHMCWFV-QAMTZSDWSA-N 365.395 3.553 0 1 FHAF CN(C)CCNc1cncc(-c2ccc3[nH]cc(-c4ccc(N)cc4)c3c2)n1 1857751330 AHTFFUBCDIKLDM-UHFFFAOYSA-N 372.476 3.848 0 1 FHAF COC(=O)CC1=C[C@H]2C[C@@H]3[C@@]1(CC[C@@H](C)[C@@]3(C)CCC1=CC(=O)OC1)CO2 2356598397 OPAXJAJPWSLTMT-XIUCYOPRSA-N 374.477 3.581 0 1 FHAF O=C(O)CSc1nnc(Cc2ccc(Cl)cc2)n1-c1ccccc1 2524077 OXWSMIDUZZMDAA-UHFFFAOYSA-N 359.838 3.688 0 1 FHAF Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(C(N)=O)c1)C2 101366362 IQNJFMKUOZAASF-CEQLMSFQSA-N 350.462 3.668 0 1 FHAF CCOc1c(OC)ccc2c1CN1CCc3cc(OC)c(OC)cc3[C@@H]1C2 59589270 XQVKBLZSKXPBPC-SFHVURJKSA-N 369.461 3.767 0 1 FHAF biogenic,in-vitro CCCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(C34C[C@H]5CC3C[C@@H](C5)C4)nc21 100642047 KWTCMZRWMFFRBW-WSHKIENLSA-N 367.497 3.678 0 1 FHAF CC(C)Oc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CCNC2)cc1 28823610 FYXWYSYCIQWLQO-IBGZPJMESA-N 370.468 3.660 0 1 FHAF CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 22927020 GTSWPJFVERWRDC-UHFFFAOYSA-N 360.448 3.708 0 1 FHAF C[C@H](C(=O)N1CCOCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27559090 FUWLJSGPXZGUDM-UAGQMJEPSA-N 373.518 3.744 0 1 FHAF Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@H](CO)C3)cc12 114765387 XZJVXBUGNZHMLT-UONOGXRCSA-N 361.511 3.802 0 1 FHAF CC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccccc1c2=O 61921303 GHXQCNNAOOKCMZ-QGZVFWFLSA-N 355.397 3.733 0 3 FHAF CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(O)c2)NC(=O)N1 73311577 YACVTSQCNTWDPF-SFHVURJKSA-N 358.438 3.534 0 1 FHAF CCCC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(O)c2)NC(=O)N1 73310920 ZNJLEYLTPXAEPY-LJQANCHMSA-N 372.465 3.924 0 1 FHAF O=C1CCC[C@H]2CC[C@@](Cc3ccccc3)(C(=O)OCc3ccccc3)N12 84671244 DHYDOGGNCHCNJT-NZQKXSOJSA-N 363.457 3.886 0 1 FHAF COc1cc2nc(N3CCCC3)nc(NCc3ccccc3)c2cc1OC 82125649 XQCPNMDNHIFBAE-UHFFFAOYSA-N 364.449 3.859 0 1 FHAF CCCCN(CC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 40429573 RCCNMPPWUPAUOX-UHFFFAOYSA-N 368.485 3.747 0 1 FHAF Cc1cc(Cl)ccc1NC(=S)OCCN1C(=O)c2ccccc2C1=O 40943460 UXKBXRMJGDZKDT-UHFFFAOYSA-N 374.849 3.658 0 1 FHAF Cn1cc(-c2ccc(CN3C(=O)[C@]4(CCCO4)c4ccccc43)cc2)cn1 95590475 OBKCBMVNFREILN-QFIPXVFZSA-N 359.429 3.640 0 1 FHAF CN(C)CCCCCCCCCCCC(=O)NC[C@@H](O)c1cccnc1 95590002 BBXAGRFPLYJTHX-HXUWFJFHSA-N 363.546 3.694 0 1 FHAF COc1cc2nc(=S)n(Cc3ccncc3)c(O)c2cc1-c1cnco1 261174347 UMKLZZCITNWHAV-UHFFFAOYSA-N 366.402 3.578 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3ccccc3cc2[nH]1 587230228 GSMLOSHFDPZBAV-IRXDYDNUSA-N 351.450 3.753 0 1 FHAF Cc1c(Br)cnc2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc12 587158918 ZBZBRKPUWZGKPY-QFYYESIMSA-N 361.218 3.509 0 1 FHAF COC(=O)c1c(-c2ccccc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 587650183 YWGSMKQLVUMPEI-UHFFFAOYSA-N 363.822 3.678 0 1 FHAF COc1cc(O)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587806323 HTQNBYFVPIFTOO-XYZCENFISA-N 366.230 3.926 0 1 FHAF CCN1CCC([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587772336 ZYSVVRUGGUWHSU-DIFFPNOSSA-N 355.295 3.895 0 1 FHAF CC(C)N1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347268 UFZMLBDBKPDPHL-FPOVZHCZSA-N 355.409 3.743 0 1 FHAF O=Cc1cc(Br)cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 586981362 AJZYJOVUAZMTRM-UHFFFAOYSA-N 363.142 3.642 0 1 FHAF CCOC[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587591919 IEDVUWBKNKWEFN-HLLQZAQXSA-N 354.402 3.929 0 1 FHAF COc1cc2c3c(c1)O[C@@](CNC(=O)OC(C)(C)C)(C1CCC1)[C@@H](C2)C3=O 587428588 KJDLUJIMZYKCNL-BTYIYWSLSA-N 373.449 3.506 0 1 FHAF COC(=O)c1cc2[nH]c(-c3ccc4c(c3O)CCCC4)nc2cc1OC 586899028 VYPLQXPDAPFCME-UHFFFAOYSA-N 352.390 3.610 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)c(O)c2)N1 587740597 BGZJZKUQWXWVBO-VVVCHXIZSA-N 365.246 3.674 0 1 FHAF CN1C(=O)C[C@H]2CN[C@H](c3cc(-c4cccc(F)c4)no3)c3cccc1c32 963025296 JTPBWRGSVUJPMY-ZSEKCTLFSA-N 363.392 3.623 0 1 FHAF Cc1sc2c(c1C)CCN[C@@]2(C)c1cc(CN2CCOCC2)cs1 963010274 MZICMUXGMOCDAU-IBGZPJMESA-N 362.564 3.668 0 1 FHAF c1coc(CNc2ncc(-c3ccc(CN4CCCC4)cc3)c3nncn23)c1 1772619759 AIPPUXPIZXGBRC-UHFFFAOYSA-N 374.448 3.592 0 1 FHAF O=C(O)c1cc(-c2[nH]c3ccccc3c(=O)c2O)ccc1N1CCCCC1 1772657713 BSVUQTTWPPMTHY-UHFFFAOYSA-N 364.401 3.589 0 1 FHAF CN1CCN(C(=O)Nc2ccc3sc(-c4cccc(F)c4)nc3c2)CC1 1772599970 BINPAYAHZNGZJJ-UHFFFAOYSA-N 370.453 3.882 0 1 FHAF CC(C)[C@H](NC(=O)/C=C/c1ccccc1)NC(=S)Nc1ccccc1 1772641581 VKXISAGUHPENLM-JKIKYLSZSA-N 353.491 3.785 0 1 FHAF CCCN(C/C=C\I)[C@@H]1CCc2cccc(O)c2C1 13719831 QBXHUZJZYDSLRH-RXTQTKKPSA-N 371.262 3.910 0 1 FHAF in-vitro CCCCCC(=O)OC[C@@]1(CO)C/C(=C/C=C(C(C)C)C(C)C)C(=O)O1 13805643 LOWPNKDACIRXQY-OIOSCTRGSA-N 366.498 3.953 0 1 FHAF O=C1[C@@H]2CCCC[C@@H]2C(c2ccc3c(c2)OCO3)=NN1Cc1ccccc1 13863452 WKKMQRVLLUFLGR-ZWKOTPCHSA-N 362.429 3.968 0 1 FHAF CN1CCCN(C(=O)C[C@H](c2cccc(O)c2)c2cccc(Cl)c2)CC1 15079768 GXCRVVVUFQLZJH-FQEVSTJZSA-N 372.896 3.732 0 1 FHAF COC(=O)/C1=C\C=C(/C(C)C)CCC2=CCC[C@](C)(OC2=O)C(=O)CC1 169298462 SSRWHVBVQPAITB-BHSLAIPPSA-N 360.450 3.833 0 1 FHAF CCCCCC(=O)CC[C@@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)O 4543890 CUJMXIQZWPZMNQ-PRDMLAEISA-N 352.471 3.683 0 1 FHAF endogenous,in-man CC(C)NC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 13681933 FKSICUOFJYPFSV-LWSVHVJFSA-N 371.521 3.750 0 1 FHAF COc1cc(C[C@H](C)[C@@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)ccc1O 14646520 JFLQMRNVZXYTAK-PXIJXODZSA-N 360.450 3.966 0 1 FHAF biogenic CC[C@@H]1CC[C@@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@@H]2C1 28524135 GFCJYZOTVBIKKT-PVXIVEMSSA-N 370.474 3.976 0 1 FHAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1)c1ccccc1 36473804 YVAWOZIBIGTYBF-KRWDZBQOSA-N 368.297 3.932 0 1 FHAF CCOC(=O)c1nc(-c2ccccc2)[nH]c1NC(=S)NC1CCCCC1 45190644 CDLMROLVUFFCCA-UHFFFAOYSA-N 372.494 3.873 0 1 FHAF C=C1CCCC(C)(C)[C@]1(O)CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1 85929838 OHYYIYQJXHASNH-LPWQTFTOSA-N 354.487 3.942 0 1 FHAF biogenic O=C(c1ccc(F)cc1Cl)N1CCn2c(-c3ccc(F)cn3)cnc2C1 95565443 FJWCJWAUQSAPMA-UHFFFAOYSA-N 374.778 3.533 0 1 FHAF COc1ccc(Cn2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)cc1 95595326 NYPANYMVZPUXRK-UHFFFAOYSA-N 372.808 3.755 0 1 FHAF COC(=O)[C@H]1C[C@@H]2C[C@@H]1CN2CCOc1ccc(Cc2ccccc2)cc1 100879673 IFWDQXSUHPPOCV-URVUXULASA-N 365.473 3.540 0 1 FHAF CCOC(=O)/C(=C/Nc1cc(OC)cc(OC)c1)c1ccc(OC)cc1 101110006 KGYKRRBYPAOVTJ-CPNJWEJPSA-N 357.406 3.729 0 1 FHAF CCCC1=Nc2ncnn2[C@H](c2cccc(OC)c2OC)/C1=C(/O)OCC 103538865 PNJIKGOKTZTGCJ-BJYOTHFNSA-N 372.425 3.577 0 1 FHAF Cc1ccc2nc(C(=O)N3CC(c4nccnc4-c4ccccc4)C3)[nH]c2c1 145064983 FANSKEAEHOCFPM-UHFFFAOYSA-N 369.428 3.568 0 1 FHAF O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(Cl)c2)c1 146701722 WBQBJTNMBDYBHL-UHFFFAOYSA-N 364.188 3.851 0 1 FHAF CC(C)(C)OC(=O)n1cc(-c2cccc(NCc3ccc[nH]3)c2)[nH]c1=N 473114074 IQZFJOGAZGKQPR-UHFFFAOYSA-N 353.426 3.686 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2cnc3ccccc3c2[nH]1)C(C)C 586932489 GEHILDUYPNQCCY-INIZCTEOSA-N 360.483 3.528 0 1 FHAF Cc1nc2[nH]c(C[C@@H](N)c3ccccc3Cl)nc2cc1Br 587055400 BJTOACBLMFRAHU-GFCCVEGCSA-N 365.662 3.925 0 1 FHAF CC(C)(C)Oc1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(N)cc1F 587136317 NFGBTBPJCZDOKP-INIZCTEOSA-N 357.389 3.852 0 1 FHAF COC(=O)c1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2c1 587136348 ORUMKUMFJFTRQB-UHFFFAOYSA-N 357.385 3.915 0 1 FHAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(CO)cc2[nH]1)c1ccccc1 587218564 JWFSAFDCDONIHQ-FQEVSTJZSA-N 357.413 3.575 0 1 FHAF CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CN(C)C 587387698 SBWGYZWAZGADCM-FQEVSTJZSA-N 354.450 3.744 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1cccc(C3OCCO3)c1)O2 587407749 DUCNOWQWFNMBKA-INIZCTEOSA-N 353.418 3.589 0 1 FHAF CCN(CC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587430282 TVVGPPVIPSSTRL-IERDGZPVSA-N 353.418 3.736 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(C)C)c(OC)c1)[C@@H](C2)C3=O 587439687 MINWMICWAQWKFS-YCRPNKLZSA-N 354.402 3.980 0 1 FHAF CCOC(=O)[C@@H]1C[C@@H](C(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442528 PXEHEBPTTWQYOD-QBCAUPEHSA-N 372.461 3.817 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCOc4cc5c(cc41)CCC5)[C@@H](C2)C3=O 587454407 UARDJAYDCYHAML-MBSDFSHPSA-N 362.425 3.999 0 1 FHAF CCn1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587579345 DKPZBTYGTAXOBT-YLJYHZDGSA-N 350.374 3.620 0 1 FHAF COC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591876 FLDDYAYJQDVMCU-KNQAVFIVSA-N 362.381 3.896 0 1 FHAF COCc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587609120 BQOHDXLYQLRVKC-QAPCUYQASA-N 369.398 3.698 0 1 FHAF Cc1cc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1Cl 587651778 ZLCUHXRQBJMEDH-UHFFFAOYSA-N 363.200 3.731 0 1 FHAF COc1cccnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587767305 AIYNRXZMJWYLAJ-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF COc1cc(C)nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587772058 NEVQJVPLRUDIQO-HUTHGQBESA-N 365.246 3.924 0 1 FHAF COc1ncccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587775387 ZRVISNNMAQSHGB-RFAUZJTJSA-N 351.219 3.615 0 1 FHAF CC[C@]1([C@H](C)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804256 DEEPCJGEHUCJCR-YNHOBRIKSA-N 358.251 3.537 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(O)c2)N1 587833823 PKRJDYJOAXPDFR-VPTHRUTESA-N 352.203 3.623 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C)nc1 587861906 DOYFKOJQKOQQES-UHFFFAOYSA-N 361.323 3.969 0 1 FHAF COc1ccc(OC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 587945624 OROOGRPYCVZJEJ-UHFFFAOYSA-N 361.398 3.716 0 1 FHAF O=C(O)C[C@]1(c2ccc(O)cc2)NCCc2cc(-c3ccccc3)ccc21 962667952 NJKOVYQVWXEZRI-HSZRJFAPSA-N 359.425 3.923 0 1 FHAF CNCc1cc2c(cc1OC)[C@@]1(C)Cc3cnc(C)nc3C(C)(C)[C@@H]1CC2 1857604766 KSCAJAMHRUQSRB-NZQKXSOJSA-N 365.521 3.867 0 1 FHAF Cc1ccnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)c1 1911575561 GHWBABJHJHGNBS-MRXNPFEDSA-N 350.397 3.522 0 1 FHAF O=C(Cc1ccccc1)N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199715752 NKZCFFFQPLRVAF-IBGZPJMESA-N 370.880 3.580 0 3 FHAF C[C@H]1[C@H]2C[C@H](OC(=O)Nc3ccc4c(c3)OCO4)[C@@H](C2)[C@H]2CCCCN12 263590619 CMLKFHPJDHOMMK-RZXDWDHASA-N 358.438 3.615 0 3 FHAF CC(=O)Oc1ccc2c(c1OC(C)=O)CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 1663419 XNYCWDLNVLSGAW-NRJQMVOHSA-N 368.429 3.872 0 1 FHAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 4894456 PMPIQEYAOKVCRV-LIRRHRJNSA-N 370.880 3.994 0 1 FHAF C[C@@H]1CN(CC(F)(F)F)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1 14967301 PLVSLGFGXYLLNA-SSDOTTSWSA-N 366.261 3.697 0 1 FHAF COC(=O)[C@H]1Cc2c3n(c4ccccc24)C(=O)CC[C@@H]3N1Cc1ccccc1 27638196 HIZDIZAXVJCWFM-VQTJNVASSA-N 374.440 3.716 0 1 FHAF O=C(CN(C(=O)c1cccnc1)C1CCCCC1)Nc1cc(F)cc(F)c1 72127853 AENWDQPNVSPTBK-UHFFFAOYSA-N 373.403 3.773 0 1 FHAF CC(C)CN(C)c1ncc(C(=O)N2CCCCC2)c(-c2ccccc2)n1 82133156 YKGHLCWYMUUGES-UHFFFAOYSA-N 352.482 3.862 0 1 FHAF Clc1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1 95573216 DGUMNVQVABBBNL-UHFFFAOYSA-N 367.840 3.772 0 1 FHAF CCCCCn1cc(C(=O)N[C@@H](C)CCC(C)C)c(=O)c2c(C)nn(C)c21 95594420 XXPWCWGFJLGBFN-HNNXBMFYSA-N 374.529 3.788 0 1 FHAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccccc3F)ccc12 96905950 OBQNTTSKLVGWBA-LJQANCHMSA-N 354.406 3.754 0 1 FHAF Fc1cccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccncc3)cc2)c1 100114082 XTIYDJJQLDPFRP-NUNAXRQHSA-N 359.448 3.828 0 1 FHAF CC(=O)NCCc1c[nH]c2ccc(OCCCOc3ccccc3)cc12 169333384 MHHGKHQMERPLBC-UHFFFAOYSA-N 352.434 3.694 0 1 FHAF O=c1cccc(-c2nc3ccncc3[nH]2)n1CCOc1ccccc1Cl 587064389 RRVBWEYJZARXMB-UHFFFAOYSA-N 366.808 3.519 0 1 FHAF COc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C(F)(F)F)c1 587097567 LDNIYXHAOSOBFF-UHFFFAOYSA-N 363.295 3.588 0 1 FHAF CCOC(=O)[C@@H](Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(C)=O 587105589 AFZDQEIUJDDOQG-SFHVURJKSA-N 373.408 3.757 0 1 FHAF FC(F)c1c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cnc2ncnn12 587128370 MGAKWSRPZBJILP-UHFFFAOYSA-N 355.135 3.912 0 1 FHAF Cc1c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166539 VUUXJFITQOVEGY-UHFFFAOYSA-N 373.395 3.659 0 1 FHAF Oc1nc(S)nc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 587196641 UKJQJAPBWULKME-UHFFFAOYSA-N 363.446 3.554 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1C 587239290 PAQDDHXRRQANQB-UHFFFAOYSA-N 351.303 3.917 0 1 FHAF O=C(c1cc(F)cc(F)c1)c1c(CO)oc2cc(Br)cnc12 587276184 MTSJPUTXHXSAKE-UHFFFAOYSA-N 368.133 3.592 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1cnccn1)[C@@H](C2)C3=O 587435426 FWOXKTQTMDBVCO-YCRPNKLZSA-N 360.369 3.766 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1csc4cnc(Cl)nc14)[C@@H](C2)C3=O 587452420 MVIRNZZFKBOEJF-FVMDXXJSSA-N 358.806 3.842 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(F)(F)F)n(C)n1)CC2=O 587464665 VOIZNJNXSNETEE-QGZVFWFLSA-N 368.355 3.978 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)Oc3ccccc31)CC2=O 587485871 JTUIZPLLAUKNRB-NRFANRHFSA-N 366.369 3.566 0 1 FHAF Cc1nccn1CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577406 NHYTXKSZTIREHF-RXVVDRJESA-N 364.401 3.708 0 1 FHAF CCn1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587582760 QUQKNGKXDWODMM-GHTZIAJQSA-N 364.401 3.928 0 1 FHAF CC1(C)[C@H]2OCC[C@H]2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587608447 LBJPOBOSVGKMRZ-YHZNOWJQSA-N 352.386 3.538 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2CCO 587609673 OVEQNODENBNVIO-IBZMOEQTSA-N 354.402 3.665 0 1 FHAF CC[C@]1(C2=NCCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616387 CTPJHSRDCVDZNP-KXBFYZLASA-N 355.415 3.648 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)o2)N1 587828546 ODUYZFLUCGEZKI-UOWDBTKRSA-N 354.175 3.503 0 1 FHAF COC(=O)c1cc2[nH]c([C@H]3C[C@@]3(C)c3ccccc3OC)nc2cc1OC 587930997 QOPDATZVGCWOJD-SZNDQCEHSA-N 366.417 3.812 0 1 FHAF CC(C)C(=O)[C@@H]1CCCC[C@@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962711271 LXZFEBGWDZRKRW-BXWFABGCSA-N 367.411 3.943 0 1 FHAF CCOc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(OC)c1 1772611798 BAUSMWQMIOODMY-CQSZACIVSA-N 365.433 3.975 0 1 FHAF O=C(NCCc1nc(-c2cccc(F)c2)cs1)N1CCC[C@@H](F)C1 1772622070 KECCQUVROAZVDI-CQSZACIVSA-N 351.422 3.635 0 1 FHAF O=CN[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1 1772634277 IHYCDPIJSQBYPU-WKILWMFISA-N 369.856 3.519 0 1 FHAF Cc1c([C@@H](C)n2cnc3ncc(-c4cn[nH]c4)nc32)ccc2ncccc12 1857591257 KPRYUTIGJPKIRQ-CYBMUJFWSA-N 355.405 3.682 0 1 FHAF C[C@@H]1CCCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857762565 NLRANIOVJBCKFV-CJNGLKHVSA-N 372.415 3.692 0 1 FHAF N[C@]1(CO)CC[C@H](c2ccc3c(c2)CC[C@H](COCc2ccccc2)C3)C1 1911574105 UOTYQINTGZVAFX-WDJPJFJCSA-N 365.517 3.966 0 1 FHAF COC(=O)c1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CN)C=C3C)[nH]c2c1 2356286674 LFELCBRJUYDDOA-YESZJQIVSA-N 355.482 3.705 0 1 FHAF O=C(Nc1ccc(Cl)cc1)c1nc[nH]c1C(=O)Nc1ccccc1F 61922186 GHGYPTJFWIEDOM-UHFFFAOYSA-N 358.760 3.707 0 3 FHAF CCNc1cccnc1N1CCN(C(=O)c2cc3ccccc3s2)CC1 6385410 VMJNTJYYMUQKTG-UHFFFAOYSA-N 366.490 3.691 0 1 FHAF Cc1cc(C)cc(NC(=O)CCCN2C(=O)COc3ccc(C)cc32)c1 6751294 WIWLKZIWGCXNBE-UHFFFAOYSA-N 352.434 3.756 0 1 FHAF CCOC(=O)CCCN(CCc1ccccc1)Cc1ccc(OC)c(O)c1 103279020 LGGDNJFWHAELDI-UHFFFAOYSA-N 371.477 3.789 0 1 FHAF N=C(Nc1ccc2c(c1)N(C1CCNCC1)CCS2)c1cccs1 113971319 NPKJSMOIXGJKNA-UHFFFAOYSA-N 358.536 3.850 0 1 FHAF C[C@@H]([C@H](O)c1ccc2c(c1)CC(=O)N2)N1CCC(Cc2ccccc2)CC1 28019078 FCXXSNGUDWIOQU-HJPURHCSSA-N 364.489 3.558 0 1 FHAF COC(=O)/N=c1\[nH]c2ccc(C(=O)OCC[C@@H](C)CC(C)(C)C)cc2[nH]1 27629622 XIBHZGZYJAVFGH-GFCCVEGCSA-N 361.442 3.782 0 1 FHAF C[C@H]1CN(c2ccccn2)N=C(c2ccc(N)cc2)c2cc3c(cc21)OCO3 28012613 BYZLACHFWASEOJ-AWEZNQCLSA-N 372.428 3.769 0 1 FHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@](C)(OC=O)CCC[C@]12C 2356611760 JOEMUKDFVFJYNY-URZNZNTCSA-N 364.482 3.946 0 1 FHAF CC(=O)O[C@H](Cc1c(C)cc(O)cc1Oc1cc(C)cc(O)c1)C(C)(C)O 2356614266 NTAFGSZVOYFBDV-HXUWFJFHSA-N 374.433 3.752 0 1 FHAF Cc1c(Cc2cccnc2)c(=O)oc2cc(OC(=O)N(C)C)c(Cl)cc12 26491988 IYLUPTWLGLVAAM-UHFFFAOYSA-N 372.808 3.801 0 1 FHAF CCCSc1ccc2nc(-c3ccc(OCCOC)c(OC)c3)cn2n1 38307792 PVDCWALHCABTIX-UHFFFAOYSA-N 373.478 3.932 0 1 FHAF NCCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12 72101844 OTCMWMFSFQZIJP-UHFFFAOYSA-N 361.424 3.963 0 1 FHAF Cc1ccccc1-c1nccnc1C1CN(c2ncc3ccccc3n2)C1 139792886 NQGILYUCDYTIKP-UHFFFAOYSA-N 353.429 3.999 0 1 FHAF O=P(O)(O)COc1ccc(-c2ccccc2)c2c1-c1ncsc1C2 45384335 VLCALSLBDDNHOA-UHFFFAOYSA-N 359.343 3.895 0 1 FHAF CC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C[C@H]1C 195410672 LJJAHPHAPWPSHP-CZAAIQMYSA-N 371.502 3.972 0 1 FHAF CC[C@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 40373843 KRRDPQUROQJNSW-AZIXLERZSA-N 353.506 3.979 0 1 FHAF FC(F)(F)c1ccccc1CCO[C@H]1CCCC[C@@H]1N1CCOCC1 137905491 NMVFFWCXMIUZSW-ROUUACIJSA-N 357.416 3.908 0 1 FHAF COc1cccc(Nc2nnc([C@H](O)c3cc(F)c(F)c(F)c3)s2)c1 82078311 UERFVTAVNFWRRN-CQSZACIVSA-N 367.352 3.789 0 1 FHAF O=C(O)c1cn(C2CC2)c2c(F)c(OCc3ccccc3)c(F)cc2c1=O 40407134 CPCODSBGHAMIOC-UHFFFAOYSA-N 371.339 3.892 0 1 FHAF CCOC(=O)c1oc2cccc(OCCNCc3cccnc3)c2c1CC 98082769 SFGJYIZKZREWHW-UHFFFAOYSA-N 368.433 3.736 0 1 FHAF C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@H]3CC[C@@](C)(O)[C@@]3(C)C[C@H](O)[C@@]12F 90647899 ZVKKSLFHXTYQQE-UFIZMMLYSA-N 350.474 3.578 0 1 FHAF biogenic N[C@H]1CN[C@H](CCCCCCCCCCOCC2CCCCC2)[C@H]1O 2382219003 ZFCJLIHVCGSNOR-HBMCJLEFSA-N 354.579 3.754 0 1 FHAF O=C(Nc1ccc(N2CCC[C@H](C(=O)O)C2)cc1)c1cc2ccccc2[nH]1 653837655 LINBIYMQPSCUJN-HNNXBMFYSA-N 363.417 3.721 0 1 FHAF CC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3cc(N)n[nH]3)cc2)no1 653838812 WJJDWJJQHOPEFV-UHFFFAOYSA-N 354.414 3.512 0 1 FHAF Cc1c(C)c(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O 587935835 QSFVYJOZOWAKHE-UHFFFAOYSA-N 362.227 3.668 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2N[C@H]1C 587482773 JHJVWWJZKUMYFM-QKVFXAPYSA-N 351.402 3.746 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c(C(=O)O)c1C(C)C)O2 587395287 ANLYOUFLRVXTEB-FQEVSTJZSA-N 356.422 3.916 0 1 FHAF Cc1nccc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 586997085 ASTWPGYDCXSLBC-NSCUHMNNSA-N 358.195 3.928 0 1 FHAF CN(C)CCCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569246 FYFNBPKFBJUXGG-RXVVDRJESA-N 355.434 3.844 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 587395456 MGXMSRURJHNIQW-GUYCJALGSA-N 360.454 3.558 0 1 FHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cnc(Cl)[nH]c-2n1 587201822 WVKMHQAFJMPVMT-UHFFFAOYSA-N 353.854 3.539 0 1 FHAF COc1cc2c3c(c1)O[C@](CCn1ccnc1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587429696 CKFCNGHWVZOHFA-WMZHIEFXSA-N 374.440 3.933 0 1 FHAF CCCOc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1Br 586958521 HVFBQQZRLQJKQF-NRFANRHFSA-N 371.300 3.773 0 1 FHAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 586921932 IDUBLECHAYUSAC-UHFFFAOYSA-N 356.781 3.955 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC[C@H](C1)N2C(=O)OCC 587487812 ODJHYBFIHRHPBJ-JORQVXCQSA-N 373.449 3.832 0 1 FHAF CC[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442667 MYMLLJAZPYDHLE-QVKFZJNVSA-N 354.402 3.765 0 1 FHAF CNC(=O)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623508 UKWGSRGKLRNMQD-UHFFFAOYSA-N 369.222 3.833 0 1 FHAF O=C(CCc1nc2cc(Cl)nc(Cl)c2[nH]1)Nc1cccc(F)c1 587163344 PQXOERSBVZKMIK-UHFFFAOYSA-N 353.184 3.975 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 1772632471 OBBOYFCTOJVGLE-UGSOOPFHSA-N 360.404 3.820 0 1 FHAF CCO[C@H]1C=C[C@H]2CC=CC[C@H](c3ccc(OC)cc3)OC(=O)C[C@@H]1O2 1857626490 WIRQSWHEBGWKAM-ZRNYENFQSA-N 358.434 3.748 0 1 FHAF COc1cccc(C(=O)NCCSc2c[nH]c3ccccc23)c1OC 2720997 VMHJGRZEBDNVMD-UHFFFAOYSA-N 356.447 3.707 0 1 FHAF O=c1c2ccccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1 4906391 RUAUAGKRYSWTKT-UHFFFAOYSA-N 374.415 3.593 0 1 FHAF COc1cc(CN2CCC[C@H](C(=O)c3sccc3C)C2)cc2c1OCO2 12581351 BQKLBMRZHIZIHM-HNNXBMFYSA-N 373.474 3.889 0 1 FHAF Cc1ccccc1CN1CCc2nc(Nc3ccc4c(c3)OCO4)ncc2C1 15779164 SQUXJJARQIYWJC-UHFFFAOYSA-N 374.444 3.816 0 1 FHAF CCOC(=O)C1=C(S(=O)(=O)Nc2ccc(Cl)cc2F)CCCC1 28637606 DGBCHOBHJMJNTF-UHFFFAOYSA-N 361.822 3.612 0 1 FHAF CCN(CC)CCC(=O)NCCCNc1ccnc2cc(Cl)ccc12 40876826 KRCKOBGLIPYLCX-UHFFFAOYSA-N 362.905 3.538 0 1 FHAF O=c1[nH]c2cc(F)ccc2n1-c1ccc(OCCCN2CCCCC2)cc1 40975197 ISXMEUJPFFXKGZ-UHFFFAOYSA-N 369.440 3.713 0 1 FHAF Fc1ccc(F)c(CNc2nnnn2-c2cccc(Cl)c2Cl)c1 71333299 YVDXERQURHZNKW-UHFFFAOYSA-N 356.163 3.859 0 1 FHAF CCS(=O)(=O)c1ccc2[nH]c(OCC(F)(F)c3ccccc3)nc2c1 95593672 CHEHVHTZXDVGEH-UHFFFAOYSA-N 366.389 3.527 0 1 FHAF CC(C)Cc1ccc([C@@H](C)C(=O)CN2C(=O)C[C@@H](CC(C)C)C2=O)cc1 102199357 LCEFWIQZFMCGCX-VQIMIIECSA-N 357.494 3.979 0 1 FHAF COc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)ncn1 224567187 VUVNXXXTTYJPEU-UHFFFAOYSA-N 367.384 3.723 0 1 FHAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 586879510 SETNETOJCUKSAT-UHFFFAOYSA-N 363.442 3.853 0 1 FHAF O[C@H](c1ccc(Br)cc1)c1nc2ccc3ncccc3c2[nH]1 586996598 HTPZBQWXDSCDEH-MRXNPFEDSA-N 354.207 3.955 0 1 FHAF COc1cc(/C=C/c2nc3c(O)ncnc3[nH]2)cc(Cl)c1OCC(C)C 587047210 UDEQUQPREHEFLF-SNAWJCMRSA-N 374.828 3.926 0 1 FHAF C[C@H](c1nc2c(N)ccnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128173 HBTUQCQSBGJFBI-SCSAIBSYSA-N 362.718 3.875 0 1 FHAF C=C(NC(C)=O)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587203332 LFKXQMGRGQGUHZ-UHFFFAOYSA-N 366.259 3.857 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Br)ccc1F)O2 587386622 VNUQZIOKBNGPJD-LBPRGKRZSA-N 351.175 3.580 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1oc3nc(C)cc(C)c3c1N)O2 587388734 GHRPPKMTCAOMFJ-HXUWFJFHSA-N 351.406 3.798 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3CCCC3=O)c1)O2 587396706 VRSWVYAECMODSC-OAQYLSRUSA-N 350.418 3.585 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCCCC(=O)O)cc1)O2 587402443 XSGVACQRWONKKS-OAQYLSRUSA-N 369.417 3.701 0 1 FHAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1O 587524910 NOQGWKZEKCRGNW-QGZVFWFLSA-N 354.402 3.995 0 1 FHAF COC(=O)Cc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526982 TZVLYQDFYKBSRT-HXUWFJFHSA-N 350.414 3.987 0 1 FHAF COc1ncccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584804 ARAFAVODHKKYPS-DYESRHJHSA-N 363.369 3.673 0 1 FHAF C[C@]1(CC2(C(=O)O)CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611715 SZQOBZNXFZJQSY-OXJNMPFZSA-N 368.385 3.758 0 1 FHAF O=C(c1csc(-c2cccs2)n1)n1ncc2ccc(Cl)cc2c1=O 587653771 KVTMCCBBETXHGP-UHFFFAOYSA-N 373.846 3.923 0 1 FHAF CCc1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587791809 NFAQULIQOUNPSD-ZKANADHPSA-N 352.251 3.806 0 1 FHAF C[C@]12CCN(C(=O)c3ccccc3)[C@H]1CCC(=O)N2Cc1ccccc1F 618017652 UUVJCBYOXLCBPJ-UGKGYDQZSA-N 366.436 3.622 0 1 FHAF COc1cc2c(cc1OC)[C@]1(CCc3cc4c(cc31)OCC4)N(C)[C@@H](C)C2 962572703 QEVQFOXBFDEADI-LFVRLGFBSA-N 365.473 3.705 0 1 FHAF COc1ccc2c(c1OC)[C@@](C)(c1cnc3ccoc3c1)N(C)[C@H](C)C2 962639473 WGADPISQOCRGLR-LRTDBIEQSA-N 352.434 3.985 0 1 FHAF Cn1ncc(Br)c1[C@@]1(C)c2c(F)cccc2C[C@H]2CCCN21 963114383 SYOYHBZYPKEONG-SJKOYZFVSA-N 364.262 3.606 0 1 FHAF NC(=O)[C@@H]1CCCN(Cc2c(-c3ccccc3)[nH]c3ccnc(Cl)c23)C1 1772610725 SRURVFHUXMMJFP-CQSZACIVSA-N 368.868 3.581 0 1 FHAF CCN(CC)CCN1C(=O)C(=Cc2ccc(OC)cc2)Nc2ccccc21 1857538853 GVZONAHBJMFJOW-UHFFFAOYSA-N 365.477 3.837 0 1 FHAF CCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3C)c2)nn1 1857576447 SNKGRZJLJRXMCS-UHFFFAOYSA-N 370.478 3.719 0 1 FHAF C[C@H]1CCCC(=O)N1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857757717 YBCNLHCGDVOMHJ-XJKSGUPXSA-N 372.415 3.835 0 1 FHAF CCc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC)C(=O)N32)o1 1857774394 VKKJMPZSQBNIOL-APWZRJJASA-N 363.417 3.622 0 1 FHAF O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2O)CC1 1911575870 KWBLKOPOUJFQQE-UHFFFAOYSA-N 358.825 3.537 0 1 FHAF O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1)c1onc2c1CCCC2 1911586703 OBJBHYSTPOEYTF-KRWDZBQOSA-N 362.433 3.547 0 1 FHAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2356398687 ZICGJBPBLVXOBM-RJQTVZGUSA-N 372.505 3.524 0 1 FHAF Cc1ccc(SC[C@H](c2ccccc2)N2CCN(C)CCC2=O)cc1 13661802 MUWQDOWWRPLKCU-HXUWFJFHSA-N 354.519 3.993 0 3 FHAF CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3ccccc3)C2)O1 96018780 AVRMVKIDGKBKNI-IRLDBZIGSA-N 358.526 3.849 0 3 FHAF O=C(/C=C/c1ccccc1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 206022973 CHAHIAQJPGDUQX-NZZWAHBWSA-N 370.811 3.754 0 3 FHAF COc1ccc([C@H]2CCN(C(=O)c3cccn3C)C2)cc1OC1CCCC1 13741129 MSNXVZRLTSSQKT-KRWDZBQOSA-N 368.477 3.985 0 1 FHAF Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)cc(F)c12 26486968 GDYOOQULLXSOGX-UHFFFAOYSA-N 355.365 3.892 0 1 FHAF Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 27864607 WLWNODXEXGTHDO-UHFFFAOYSA-N 373.456 3.658 0 1 FHAF COc1ccc2c(c1)c1ccccc1n2S(=O)(=O)c1ccc(N)cc1 28108058 HVTUNBOABHJAIF-UHFFFAOYSA-N 352.415 3.622 0 1 FHAF CC(C)NC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568705 FKSICUOFJYPFSV-UTTAMQMGSA-N 371.521 3.750 0 1 FHAF in-vivo O[C@@H](CCCN1CCN(c2nccc3occc23)CC1)c1ccc(F)cc1 34186879 GMRUSTMCIXDTFD-IBGZPJMESA-N 369.440 3.603 0 1 FHAF COC(=O)Cc1cc(O)cc2oc(-c3ccc(Cl)c(F)c3)cc(=O)c12 84671536 KWBFPZHDQBQMKE-UHFFFAOYSA-N 362.740 3.674 0 1 FHAF CC[C@@H]1COc2cccc3c(=O)c(C(=O)N[C@H](C)CCC(C)C)cn1c23 95556006 PSXQVRBHHWMMEZ-HUUCEWRRSA-N 356.466 3.900 0 1 FHAF c1ccc(-c2nnc(SCCN3CCN(c4ccccc4)CC3)o2)cc1 95569219 PLUOEMNSEKWLTF-UHFFFAOYSA-N 366.490 3.651 0 1 FHAF Cc1ccc(N2CCc3ncnc(NCc4cccc(C)c4C)c3C2)nc1 202609886 HPZNKSLOBKETML-UHFFFAOYSA-N 359.477 3.972 0 1 FHAF CC(C)[C@@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)[C@@H](C)O 204422089 FFEZLSGYGJTQRR-PIGZYNQJSA-N 371.378 3.797 0 1 FHAF CCc1ccc(-c2ccc3c(c2)C(=O)N(Cc2ncccn2)CCO3)cc1 206186380 IDTMKJDCHDUEOX-UHFFFAOYSA-N 359.429 3.741 0 1 FHAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(CC(=O)N4CCC4)cc3)cc12 216006827 QLVYTUNMAYPQFR-UHFFFAOYSA-N 368.820 3.961 0 1 FHAF CNc1cc(C(=O)N2CCC[C@](F)(c3ncc(Cl)cc3C)C2)ccn1 230534483 KJJXBCYIKIOANE-GOSISDBHSA-N 362.836 3.581 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H]2C[C@@H](O)[C@H]1CC=CCCCC(=O)O2 253634318 QVNXPVRCJMCIQT-IKAVWVJGSA-N 350.499 3.913 0 1 FHAF Nc1nccn2c1c(-c1cc3ccccc3[nH]1)nc2[C@H]1CC[C@H](CO)CC1 299813745 SWLHPLRGXVTIIY-HDJSIYSDSA-N 361.449 3.726 0 1 FHAF Cc1c(-c2nc3cc4[nH]ncc4cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029624 QYMWRQPKPMQIKJ-UHFFFAOYSA-N 362.418 3.589 0 1 FHAF Cc1cc(Br)c2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc2c1 587093805 HDTWSGWKNZNCKL-SSDOTTSWSA-N 364.165 3.763 0 1 FHAF COc1cccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587160373 BXCSFFMMORDNBT-UHFFFAOYSA-N 357.776 3.671 0 1 FHAF CN1CCN(c2ccc3nc(-c4coc5cc(F)ccc45)[nH]c3c2)CC1 587175811 WNVNESREHOKFHV-UHFFFAOYSA-N 350.397 3.867 0 1 FHAF O=C(c1cccc(Cl)c1)c1c(CO)oc2cc(Br)cnc12 587275925 HEFIDFZVXGIGBP-UHFFFAOYSA-N 366.598 3.967 0 1 FHAF C[C@@]1(c2cccnn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344908 HTDQDNYFHZENPC-ICSRJNTNSA-N 350.349 3.596 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cccc(C)c1C)[C@@H](C2)C3=O 587434002 ZDOVFTVWQOXOAQ-KSFYIVLOSA-N 365.429 3.847 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(COC(=O)c1ccccc1N)CC2=O 587472521 JCZNNEPKESJERJ-NRFANRHFSA-N 369.417 3.508 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cnc1O 587552381 QXSMEABKCXAVIY-CRAIPNDOSA-N 369.760 3.849 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(n1)NCCC2 587594104 KGWFJIRYVDZDEI-WIYYLYMNSA-N 374.396 3.848 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnccc2N(C)C)N1 587758037 WUDDGXXCNKBPRY-BTDLBPIBSA-N 364.262 3.673 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2CC(=O)O)N1 587825189 BOARNJDSXAJKOG-SEFYAATASA-N 356.235 3.593 0 1 FHAF Cc1cc2c(cc1F)[C@]1(NCC2)C(C(=O)O)=COc2cc(Cl)ccc21 962088571 GMHZIHHOPMZLDI-IBGZPJMESA-N 359.784 3.538 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@H](c3cc(-c4cccc(F)c4)no3)c3cccc1c32 963025281 JTPBWRGSVUJPMY-ASSNKEHSSA-N 363.392 3.623 0 1 FHAF CC1(N)CCN(c2nc(-c3ccc4cc(C(=O)O)ccc4c3)cs2)CC1 1772587744 SZMRXCZJRXFILD-UHFFFAOYSA-N 367.474 3.979 0 1 FHAF C[C@H](c1ccc2c(c1)OCO2)N1CCC(n2c(O)nc3ccccc32)CC1 1857754713 PPZFSJBQJJBHCH-CQSZACIVSA-N 365.433 3.869 0 1 FHAF CCCNC(=O)[C@@]1(C)CCCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 61895533 RIDBPCQNIFSLLC-QFIPXVFZSA-N 368.525 3.617 0 3 FHAF COC(=O)c1cccc(CN2C(=O)[C@@H](C)Sc3ccc(C(C)=O)cc32)c1 61928951 MBJLQXHTDCEMMD-CYBMUJFWSA-N 369.442 3.703 0 3 FHAF CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CCCCCCCCc2ccccc21 61959206 SAOZMKNZDLVYHG-AVRDEDQJSA-N 374.477 3.857 0 3 FHAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(C(C)C)no1 3590223 XXJVHQRIIIJJMH-UHFFFAOYSA-N 355.442 3.617 0 1 FHAF O=C1c2c(O)cccc2C(C(=O)Cc2ccc(F)cc2)c2cccc(O)c21 13862150 UBKVOWRCBVCBEQ-UHFFFAOYSA-N 362.356 3.725 0 1 FHAF COc1cc2c(cc1OC)[C@@H](O)[C@H](C)[C@@H](C)[C@H]2c1ccc2c(c1)OCO2 14641103 JFWINFODWGRQNJ-STEITZJJSA-N 356.418 3.884 0 1 FHAF biogenic c1cncc([C@H]2c3[nH]c4ccccc4c3CCN2CCN2CCCCC2)c1 22860039 DERUGECTQBSXDP-QHCPKHFHSA-N 360.505 3.996 0 1 FHAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCC1CCCCC1 27563839 CKQRWJDENKSDNP-KRWDZBQOSA-N 365.514 3.886 0 1 FHAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)CC[C@@H](Cc2ccccc2)C3=O)S1 29552859 GQSUDXNKQFXKOH-WMZOPIPTSA-N 365.454 3.569 0 1 FHAF CCN(CC)CC[C@@](CCN(C(C)C)C(C)C)(C(N)=O)c1ccccc1 39254126 RQYSDGJTXJQEBV-QFIPXVFZSA-N 361.574 3.651 0 1 FHAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(SC)ccc32)c1 40940587 XWTGSORMEKUJDM-GOSISDBHSA-N 369.442 3.794 0 1 FHAF CN1CCC[C@@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 42920060 PLBWSQXHXCLSCU-CYBMUJFWSA-N 368.264 3.835 0 1 FHAF in-vitro O=C1Nc2ccc(Cl)cc2[C@]12NCCCCc1c2[nH]c2ccccc12 49110238 BHHHVBQTPZIDOR-HXUWFJFHSA-N 351.837 3.943 0 1 FHAF O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82195436 ZXYQIAYVRNEKKK-ZDUSSCGKSA-N 373.375 3.597 0 1 FHAF CN1CC/C=C/CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O 95921283 WWDYZJACOLMKDH-GQCTYLIASA-N 365.857 3.845 0 1 FHAF in-vitro C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2cc(F)ccc2F)cc1 100096681 SYVZHKWZUJLYQX-GQOYEBEOSA-N 369.415 3.970 0 1 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CC4)[C@H](C2)[C@H]1[C@H](C)[C@@H](C)C(=O)C3 101799167 QKEMXTZZPULBCH-PYYKXFAFSA-N 353.506 3.835 0 1 FHAF CN(C)c1ccccc1-c1cnc2sc(NCCc3ccncc3)nn12 117615280 TWKPVRMLIOLLPK-UHFFFAOYSA-N 364.478 3.573 0 1 FHAF CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1 141372707 QHZNUKRFNISMNQ-UHFFFAOYSA-N 363.421 3.859 0 1 FHAF Cc1cccc(N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)n1 169310212 QPDMHBLMXHJYJC-QGZVFWFLSA-N 357.885 3.619 0 1 FHAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(C(F)(F)F)cc1 169364343 DDASMJFFKOSRQN-PAJJWDTESA-N 351.368 3.745 0 1 FHAF CC[C@@H]1OCCC[C@@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 586910221 HIZSBFCUPDKSND-GWCFXTLKSA-N 367.243 3.785 0 1 FHAF Nc1ccnc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc12 586959069 IMHCGPWWQIFPSB-AREMUKBSSA-N 362.458 3.578 0 1 FHAF N=c1[nH]ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c12 587030617 GOBHJAGBJGHJGT-UHFFFAOYSA-N 360.240 3.597 0 1 FHAF COc1cc(OC)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 587078725 ALWPPPZFIPQRIQ-AWEZNQCLSA-N 370.840 3.957 0 1 FHAF COc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1Cl 587130499 LXWFITCOMRRTQC-UHFFFAOYSA-N 358.772 3.843 0 1 FHAF Cc1c(Br)ccc2nc(CCNC(=O)Cc3ccccc3)[nH]c12 587228468 MQIFRIAMCZRQTJ-UHFFFAOYSA-N 372.266 3.535 0 1 FHAF Nc1ncccc1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587253266 FDILFSXEKBPDQT-UHFFFAOYSA-N 371.160 3.912 0 1 FHAF Nc1cncc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587253655 FVXWIWALHXQKDI-UHFFFAOYSA-N 357.133 3.988 0 1 FHAF C[C@]1(c2ccnc(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336287 JVDMYPOGKZAFRY-TZIWHRDSSA-N 365.360 3.906 0 1 FHAF CC[C@@H]1OC=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587357514 UDSHIOBIFXXZKY-MDKPJZGXSA-N 368.360 3.521 0 1 FHAF CC(=O)Nc1ccc2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 587390649 PFOOEMDLHCYUOI-FQEVSTJZSA-N 361.401 3.790 0 1 FHAF COc1cccc(-c2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)on2)c1 587396087 WTEHIUIJCVWLFZ-GOSISDBHSA-N 350.374 3.947 0 1 FHAF CCCCS(=O)(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587409057 KBZNXPVKMNWJEQ-IBGZPJMESA-N 373.474 3.858 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(N)c(N)c1)[C@@H](C2)C3=O 587432992 OAALUPAGZHQYAO-SBUREZEXSA-N 372.424 3.551 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1occc1N)[C@@H](C2)C3=O 587433774 WHGSRXYWVALQBA-KSFYIVLOSA-N 361.397 3.870 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](CN(C(=O)OC)c1ccccc1)CC2=O 587469263 MFAYEUBRJPLTJP-HNNXBMFYSA-N 369.417 3.952 0 1 FHAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(=O)O)c1 587524995 OJVZCGICTUQKOH-IBGZPJMESA-N 352.386 3.979 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)c(Cl)c1 587547813 NLOVKFCVVKFASX-QAPCUYQASA-N 369.760 3.849 0 1 FHAF CCO/C=C\[C@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557175 QQHSESMTRWAYSO-FGPDNHLVSA-N 362.328 3.908 0 1 FHAF O=C(NCc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660684 REXLULCVUKWXPS-UHFFFAOYSA-N 373.387 3.961 0 1 FHAF Cc1cn2c(n1)[C@@]1(CC=C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587775608 SHUUSMXFIIZQPH-QGHHPUGFSA-N 362.246 3.745 0 1 FHAF COc1ccc(OC)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1OC 587791774 GSEBVTKVZLGCAL-UHFFFAOYSA-N 353.300 3.670 0 1 FHAF COc1cccc(C)c1[C@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962767746 QQBWOQDWWAYAEL-DNVCBOLYSA-N 363.379 3.913 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)C1=C(C)N(C)c2nnnn2[C@H]1C 963224334 DRSZADJOEUUZHG-IVZHQMGZSA-N 366.513 3.530 0 1 FHAF COC(=O)c1scc(-c2ccc(NC(=O)c3ccccn3)cc2)c1OC 1772582077 MEKXLSVHAOOVME-UHFFFAOYSA-N 368.414 3.858 0 1 FHAF Clc1ccccc1-n1cc(CN2CCc3c([nH]c4ccccc34)C2)nn1 1857580403 JKDSCLCWDOLPRY-UHFFFAOYSA-N 363.852 3.960 0 1 FHAF COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CCC2 1857611462 GRQTUBDHNCZGPU-UHFFFAOYSA-N 366.437 3.775 0 1 FHAF CC(=O)Nc1cccc(Nc2ncc3cc(-c4cnn(C)c4)ccc3n2)c1 1857761852 BZBBMIJLMJEPMX-UHFFFAOYSA-N 358.405 3.732 0 1 FHAF CC=C([C@H]1C[C@]12CCCC(C)(C)C2)[C@@H]1[C@H]2OC(=O)C[C@H]1[C@H](OC(C)=O)O2 2356826833 HKRWPAQMYDTSAL-LDAGXYTLSA-N 362.466 3.964 0 1 FHAF Brc1ccc2c(c1)CN(CC1CCCCC1)Cc1cnnn1-2 72141050 QPKQTBFUJZYRHS-UHFFFAOYSA-N 361.287 3.926 0 3 FHAF Fc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2COc2ccc3c(c2)OCO3)cc1 100801348 HAHQKXHPHSTOFJ-XGXHKWSGSA-N 355.409 3.858 0 1 FHAF NCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 66097855 FBJGCUBGHZNZIT-UHFFFAOYSA-N 353.466 3.715 0 1 FHAF CCCCCCN1C(=O)[C@](O)(c2ccc3c(c2)OCO3)c2ccccc21 71331121 ROAYQAUKQQECRN-NRFANRHFSA-N 353.418 3.578 0 1 FHAF COc1ccc(OC)c(C(=O)Cn2c(-c3ccccn3)nc3ccccc32)c1 73221954 QQLKHPXVRFVHMI-UHFFFAOYSA-N 373.412 3.998 0 1 FHAF CCCc1ccc(CC/C(C)=C/CSC[C@H](NC(C)=O)C(=O)O)cc1 72142463 SRKQYJHFCWGGOV-QZEGLACASA-N 363.523 3.841 0 1 FHAF Cc1cccc(C)c1C(O)(C[C@H](O)CNC(C)C)c1c(C)cccc1C 84740947 UDUIQPZPZJYHEV-FQEVSTJZSA-N 355.522 3.905 0 1 FHAF CN1CCN(c2nc3ccc(Cl)cc3nc2OCc2ccccc2)CC1 40860732 CNRAIALELQBKRS-UHFFFAOYSA-N 368.868 3.614 0 1 FHAF COc1ccc(Cc2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1F 95591090 LUIZQKHWKRSVFU-UHFFFAOYSA-N 359.397 3.943 0 1 FHAF O=C(N[C@@H]1CCC[C@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1cccnc1 95591153 UHCAVFLNPSPQFM-YLJYHZDGSA-N 369.852 3.623 0 1 FHAF CC(=O)Oc1cccc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)nc12 587394193 DENZLBRPLQCHJP-LJQANCHMSA-N 362.385 3.757 0 1 FHAF Cc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1F 587276538 RWSWBRJBVLOTQZ-UHFFFAOYSA-N 364.170 3.761 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(F)cc1O)O2 587382616 SPRLMVHMNFXUMF-HNNXBMFYSA-N 366.186 3.891 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CCC[C@H](C2)N3C)N1 587775156 RBRQMXBLOROKDC-GNTLTTKYSA-N 367.306 3.964 0 1 FHAF COC(=O)C[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587809429 RJFUELASYVIQLF-QAGHZCBJSA-N 370.262 3.681 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1C[C@H](C(=O)O)C[C@@H]31 586990949 PAZNAGYJQBROPG-COPLHBTASA-N 371.392 3.902 0 1 FHAF C[C@]1(c2ncc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568034 JZBRGTVPGCDAFQ-JXFKEZNVSA-N 369.323 3.942 0 1 FHAF CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cc(F)ccc12 587633519 FXPMDTFKAFROSI-UHFFFAOYSA-N 358.316 3.791 0 1 FHAF Fc1ccc(-c2cnn(Cc3nc4ccnc(Br)c4[nH]3)c2)cc1 587165257 NQBYMWPHMMZJGL-UHFFFAOYSA-N 372.201 3.771 0 1 FHAF CCO[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCOCC2 587536931 YRNIGIHFNULWEG-UGKGYDQZSA-N 356.462 3.875 0 1 FHAF C[C@@]1(c2ncccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333357 CTWXBIZIMDQYQQ-FXAWDEMLSA-N 350.349 3.596 0 1 FHAF COC(=O)c1cc2nc(C3=COCC3)[nH]c2c(F)c1Nc1ccccc1 586913557 QAHHAMNVWBDVHJ-UHFFFAOYSA-N 353.353 3.993 0 1 FHAF O[C@H]1C[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)c2ccccc21 586904849 VZVHMJRYWVGXGS-KOLCDFICSA-N 364.630 3.943 0 1 FHAF COCc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587850972 GZGCCIMSSURTHJ-GLEZIHRCSA-N 371.275 3.815 0 1 FHAF COC(=O)C[C@@]1(c2ccccc2OC)c2ccc(F)cc2C[C@@H]2CCCN21 963104933 IRMIAJSMPJHPOO-JTSKRJEESA-N 369.436 3.662 0 1 FHAF N[C@@H]1CCN(C(=O)Nc2ccc3sc(-c4ccc(F)c(F)c4)nc3c2)C1 1772627834 MCJODZOEHOOOIS-LLVKDONJSA-N 374.416 3.806 0 1 FHAF O=C(C[S@@](=O)CCCCc1ccccc1)c1ncc(-c2ccccn2)o1 14980026 GITGCQFUAIHBAT-AREMUKBSSA-N 368.458 3.691 0 1 FHAF NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1cccc2ccccc12 205703804 PMIGMJVHADRWAD-UHFFFAOYSA-N 355.397 3.747 0 3 FHAF c1ccc(CN2CC[C@H](NCCN3CCC(c4ccccc4)CC3)C2)cc1 1857541914 UMKNUQRTXREFDM-DEOSSOPVSA-N 363.549 3.730 0 1 FHAF COC(=O)CC=C[C@@H](C)[C@@H](OC)c1c(Br)ccc2c1OCO2 1857622730 WGONEYCOJVMLLL-MEBBXXQBSA-N 371.227 3.621 0 1 FHAF C[C@@H](c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncccc2c1 1857647264 FIROGCUAKZZTOA-CYBMUJFWSA-N 373.391 3.963 0 1 FHAF C[C@H](c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cn[nH]c3)nc21 222082744 CEQIRFUMOKJDNO-LLVKDONJSA-N 359.368 3.513 0 1 FHAF C[C@H]1CCC[C@H](NC(=S)NC(=O)c2ccccc2Br)[C@@H]1C 5560425 PVQKVWHUKMQJIS-WDMOLILDSA-N 369.328 3.878 0 1 FHAF Cn1cc(C2=C(c3csc4ccccc34)C(=O)NC2=O)c2ccccc21 13447710 MXXPGFCRIISOJY-UHFFFAOYSA-N 358.422 3.960 0 1 FHAF CCCOC(=O)[C@H]1C[C@H](O)[C@@]2(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]12 13518484 YRYIWLAFDTYUGH-DOEDBZELSA-N 358.478 3.789 0 1 FHAF CC[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCC3)n1 13560985 IOCRDUAOXZXTFV-ZDUSSCGKSA-N 367.428 3.527 0 1 FHAF CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1C(C)(C)C(=O)CC[C@@]12C 27190570 KXAUISWTCLJEAE-JOCHJYFZSA-N 370.445 3.975 0 1 FHAF CS[C@@]12c3cc(C)oc3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 29403829 JZLSUOGYJVOVGT-YLJYHZDGSA-N 357.475 3.976 0 1 FHAF Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)NCC2CC2)c1 82145729 AULGFTKKZAPIBB-UHFFFAOYSA-N 352.482 3.684 0 1 FHAF CN(C(=O)Cn1c(=O)oc2cccc(-c3ccccc3)c21)c1ccccc1 84738884 GSVPDJXHQCQDED-UHFFFAOYSA-N 358.397 3.925 0 1 FHAF COc1ccc(C(=O)NCc2ccccc2)cc1C(=O)NCc1ccccc1 95580598 FCCLYTGUBAXLFV-UHFFFAOYSA-N 374.440 3.555 0 1 FHAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccccc1Cl 101559561 VNHUSQSYRXNIKP-DPEHCCBOSA-N 361.833 3.998 0 1 FHAF COc1cccc(CCC(=O)Nc2ccc3nc(C)cc(N)c3c2)c1OC 103236411 TUKSWFLHFRJGMM-UHFFFAOYSA-N 365.433 3.714 0 1 FHAF Cc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3nc(O)nc(O)c32)cc1 104090422 IMOALRSTYBYANI-CQSZACIVSA-N 357.369 3.745 0 1 FHAF O=C(N/N=C/c1ccc2ncccc2n1)[C@@H]1C[C@H]1c1cccc(Cl)c1 115595953 VADWYVYZUPMKKJ-SXNPTRPASA-N 350.809 3.537 0 1 FHAF CC(C)CN(C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166874299 DQXFMQGTJDITDY-UHFFFAOYSA-N 351.450 3.962 0 1 FHAF O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(F)cc1)[C@@H]23 169333611 DFAJSLNBAGWJBM-RQGSJKACSA-N 374.500 3.755 0 1 FHAF COC(=O)c1ccc(/C=C/[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1 219785427 ARTKCRWEWGWXJH-YHVDPYDOSA-N 361.438 3.858 0 1 FHAF biogenic COc1cc(O)cc(-c2cc3cc(O)c4c(c3o2)C=C[C@@](C)(CO)O4)c1 238768871 HVNMYEKTMWVINM-FQEVSTJZSA-N 354.358 3.676 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Cl)c(C)c2[nH]1)C(C)C 586932110 APFLKHCSGYFNDA-CQSZACIVSA-N 357.907 3.941 0 1 FHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccnc(Cl)c2[nH]1 586974026 TXWNAJFHAVPSIW-AWEZNQCLSA-N 360.870 3.722 0 1 FHAF CN1CC[C@@](C)(O)[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587104440 HJFOVYBLQAOPMR-WZONZLPQSA-N 358.441 3.616 0 1 FHAF O=C(O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587115779 AQCAEPKZRXISHI-UHFFFAOYSA-N 358.279 3.890 0 1 FHAF Nc1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c2ccccc2c1 587251289 BDDVDXKOGUQJEQ-UHFFFAOYSA-N 358.445 3.798 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc4nc(O)sc4c1)[C@@H](C2)C3=O 587451875 LFHSYJMJRDFHKA-HXPMCKFVSA-N 353.399 3.673 0 1 FHAF COc1cc([C@]2([C@@H](C)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587526167 RWQLPQVXFIBKHH-MCMMXHMISA-N 368.429 3.521 0 1 FHAF CCCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579735 WEQTXUNVBAPLAH-VQIMIIECSA-N 350.374 3.702 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CSCCSC2 587617863 LJRPKBNNQKPJLP-OAHLLOKOSA-N 360.456 3.573 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CCN(C)CC2)N1 587765060 BOZXQPYTMCVDMQ-PIGZYNQJSA-N 355.295 3.895 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H]2CC3=O)N1 587830178 TXFJLJQJXJVNPT-JVOGGNFKSA-N 352.247 3.707 0 1 FHAF C[C@H](O)[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587847142 JKGSRFPHKYJYAD-KCWFYHRYSA-N 370.287 3.808 0 1 FHAF Cc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cn1 587923909 QUVJAYFWEJKNJE-UHFFFAOYSA-N 359.476 3.576 0 1 FHAF COc1cc2ccccc2cc1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963023884 ISQUXXKXUFHKCT-MWTRTKDXSA-N 358.441 3.991 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cn2cc(Cl)ccc2n1 963602653 AJDYYDXMOJOJNY-NSPYISDASA-N 357.841 3.629 0 1 FHAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@H]2CCC[C@H]2C)c1O 1772601670 PZIWNZKMZJYCNO-PWSUYJOCSA-N 374.890 3.538 0 1 FHAF COc1cc(-c2cc3c(cn2)[nH]c(=NCc2cccc(C)c2)n3C)ccc1O 1857608945 GXGRFERMPGJWGJ-UHFFFAOYSA-N 374.444 3.692 0 1 FHAF COc1cc2c(cc1OC1CCCC1)CN(C(=O)c1ccc(O)cc1)CC2 1857761214 NXILNCRJPYFDCH-UHFFFAOYSA-N 367.445 3.921 0 1 FHAF CC=CC=C[C@@H]1C[C@@H]2OC(C)(C)[C@@H]3CCC(C)=C[C@@H]3[C@@H]2[C@H](O)[C@@H]1C(=O)O 2356333215 ORVJFPWLYFLWRB-OUIJSLBESA-N 360.494 3.966 0 1 FHAF C[C@]12CCCC[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2356599452 ZYEOCZJSKXSFRT-UMTFHAPMSA-N 374.521 3.604 0 1 FHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](C(=O)O)[C@@]2(C)O 2356810552 AYRBKDVFDHNFQF-OFXPRUCISA-N 352.471 3.712 0 1 FHAF Cc1cccc(CCNC(=O)c2nnc(Cc3ccc(Cl)cc3)o2)c1 4928298 SIIVVFSDNYCUMT-UHFFFAOYSA-N 355.825 3.595 0 3 FHAF CC(C)(C)CNC(=O)[C@]1(C)CCN1C(=O)Cc1ccc(C(C)(C)C)cc1 61903235 SMQAFFUXAURDPI-QFIPXVFZSA-N 358.526 3.680 0 3 FHAF CCn1nc(C(=O)Nc2nc3ccc(C)cc3s2)c2ccccc2c1=O 2627355 GUMQNLBKXFEKFZ-UHFFFAOYSA-N 364.430 3.587 0 3 FHAF O=C(O)[C@@H]1CCCN(CCOCCc2ccccc2-c2ccccc2)C1 3809994 IJPNPQXTMJLALF-HXUWFJFHSA-N 353.462 3.709 0 1 FHAF CC(=O)c1ccc(O[C@@H]2C=C[C@H](c3ccc(Cl)cc3)O[C@@H]2CO)cc1 7992520 WAARVUWZNIKQDS-VAMGGRTRSA-N 358.821 3.979 0 1 FHAF Fc1ccccc1-c1ccc([C@H]2[C@H]3CN(Cc4ccccn4)C[C@@H]2N3)cc1 100108032 FDHHHBRZAAIRJQ-JKHIJQBDSA-N 359.448 3.828 0 1 FHAF COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc1 28526720 SKKYNXWSXJUPSL-LJQANCHMSA-N 365.433 3.579 0 1 FHAF O=C(c1ccc2[nH]c(=O)sc2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 117623849 LYWCPSCWTUZDTE-AEFFLSMTSA-N 364.470 3.924 0 1 FHAF COc1cc2c(cc1C)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117407276 UPIFSROXISOJRW-UZLBHIALSA-N 361.445 3.824 0 1 FHAF CN(C)C(=O)Oc1ccc(-c2cn3c(C(F)(F)F)cccc3[n+]2C)cc1 49037172 GGZJKOWOYJBDAW-UHFFFAOYSA-N 364.347 3.510 0 1 FHAF COc1ccccc1NCn1nc(-c2ccc3c(c2)OCCO3)oc1=S 96935207 YPBLXNYSUZMIPX-UHFFFAOYSA-N 371.418 3.722 0 1 FHAF N[C@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@@H]1c1ccccc1F 587153819 AFFAGFJQIVYGDO-BDJLRTHQSA-N 351.303 3.942 0 1 FHAF FC(F)(F)c1cnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587041993 REPXTUFFFJPWIT-KGLIPLIRSA-N 364.396 3.923 0 1 FHAF N=c1[nH]c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2o1 587579050 YCLXNUBQTFUHBX-PXNSSMCTSA-N 374.352 3.649 0 1 FHAF O=C(/C=C/c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)Nc1ccc(F)cc1 587166617 FLCGYVOXTSXGMW-AATRIKPKSA-N 361.279 3.675 0 1 FHAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cc(F)cc(F)c1)[C@@H](C2)C3=O 587428507 NMJCGHGWAVHIPN-ILXQMQRGSA-N 371.383 3.692 0 1 FHAF CO[C@]1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587602428 XPAHXPJFYUXDHG-MAODMQOUSA-N 354.402 3.928 0 1 FHAF C[C@H]1CN(c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)S(=O)(=O)C1 587216461 BTQIGZKWDRZXEN-AWEZNQCLSA-N 364.470 3.786 0 1 FHAF CC(C)(C)n1ncc2c1NC(n1nc3cc1Oc1ccc(F)cc1-3)=NC2 587875234 IDVCJFUZQCDUOU-UHFFFAOYSA-N 352.373 3.576 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cncs1 587863515 AYFKEDCULRWXCR-UHFFFAOYSA-N 353.325 3.723 0 1 FHAF Fc1ccc(-c2cnn(Cc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)cc1 587164811 BNJCDLGHVPPTSW-UHFFFAOYSA-N 372.306 3.935 0 1 FHAF COc1cc2c3c(c1)OC1(CCN(c4ccc(F)cc4)CC1)[C@@H](C2)C3=O 587428358 MPWNMQQBYSVGAZ-KRWDZBQOSA-N 353.393 3.621 0 1 FHAF COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4cccnc41)[C@@H](C2)C3=O 587437096 WUDHVPRRXZGMNB-OYHNWAKOSA-N 357.365 3.887 0 1 FHAF CC[C@]1([C@H](C)CN(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587740878 LGOLIBOSRMUZCA-PSTGCABASA-N 357.311 3.925 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(F)n1)O2 587385572 DORZUVSNYCUAKR-CYBMUJFWSA-N 351.175 3.580 0 1 FHAF CN1CCC([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587342453 DWOJJZVTNKJUKR-RBBKRZOGSA-N 369.436 3.991 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(F)cc3)c2c1 587649805 KXKPVWJHADAPME-UHFFFAOYSA-N 367.348 3.879 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587233541 QQHYBBIJCIBZNY-CMPLNLGQSA-N 363.389 3.561 0 1 FHAF O=c1[nH]c(O)c(Cc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)s1 169722694 KXQRTUMHIOKLGK-UHFFFAOYSA-N 368.336 3.939 0 1 FHAF CCc1ccc(-c2ccc(C(=O)NCC(=O)NCc3ccccc3)cc2)cc1 200150884 RCNNLIPFFJYPCZ-UHFFFAOYSA-N 372.468 3.962 0 1 FHAF COc1cc2c(cc1C(=O)O)CC[C@@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857555042 NLSSLFXJLKLWNJ-XMSQKQJNSA-N 366.461 3.846 0 1 FHAF Cc1cc(=O)oc2cc(OCc3cn(-c4ccccc4Cl)nn3)ccc12 1857644222 YGENDZQFFKRYAZ-UHFFFAOYSA-N 367.792 3.915 0 1 FHAF CCCCC[C@@H](O)CCN1C(=O)CS[C@@H]1CCCCCCC(=O)O 27098602 MAKBTMYLUUUASJ-NVXWUHKLSA-N 359.532 3.644 0 1 FHAF O=c1c(-c2cccc(F)c2)nc2cncnc2n1Cc1ccccc1Cl 4238645 YYFPRONJEYGQND-UHFFFAOYSA-N 366.783 3.694 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(N)cc3)cc2)C[C@H]2CC[C@H]1N2C 101067241 KMRUPVHLDNPTES-NCYKPQTJSA-N 350.462 3.675 0 1 FHAF CC(=O)Nc1ccc2c(=O)n(CC(C)C)c(CN)c(-c3ccccc3)c2c1 28455774 HHBJYXXGDQQJLN-UHFFFAOYSA-N 363.461 3.742 0 1 FHAF CN1CCN(c2nc3ccccc3nc2OCc2cccc(Cl)c2)CC1 29053381 FPZONEXEOPIJGO-UHFFFAOYSA-N 368.868 3.614 0 1 FHAF O=c1cc(Cn2ccnc2)c2ccc(OCc3ccc(F)cc3)cc2o1 66122810 WZGIZEPXDDWESO-UHFFFAOYSA-N 350.349 3.756 0 1 FHAF O=c1c(CN2CCC[C@H](N3CCc4ccccc4C3)C2)coc2ccccc12 20600705 WLSVAJYZUUNDCS-NRFANRHFSA-N 374.484 3.816 0 1 FHAF Nc1nc(-c2ccco2)nc2sc(CN3CCCC(F)(F)C3)cc12 118601913 KYXCXHCFXDUHNI-UHFFFAOYSA-N 350.394 3.765 0 1 FHAF Cc1cc2c(s1)c1cnn(Cc3c(F)ccc(F)c3F)c(=O)c1n2C 36380293 JBFPONCBGBVCCG-UHFFFAOYSA-N 363.364 3.724 0 1 FHAF O=C(Cn1c(-c2ncco2)nc2ccccc21)Nc1ccc(Cl)cc1 73295709 ZYNDDSSIMFYWDB-UHFFFAOYSA-N 352.781 3.983 0 1 FHAF C[C@@H](N[C@@H]1CNS(=O)(=O)c2ccccc21)c1cccc2ccccc12 72110218 PVDADKQWZBBWPY-AUUYWEPGSA-N 352.459 3.524 0 1 FHAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc(F)c(Cl)c3)C[C@H]12 74378974 TXNDOHJRJYWPRV-YOEHRIQHSA-N 358.800 3.663 0 3 FHAF Cc1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 45319451 FIGDYIJYOZCGNZ-MSOLQXFVSA-N 362.395 3.633 0 1 FHAF Oc1c(Cl)ccc2c1[C@H](O)[C@@H]1O[C@@H]1C21Oc2cccc3cccc(c23)O1 14636416 KQNZJGSFCIVYCL-FHWLQOOXSA-N 368.772 3.637 0 1 FHAF biogenic Fc1ccccc1[C@H](Cc1ccccc1OC(F)(F)F)N1CCNCC1 49036225 WARUECLCXNMKJR-KRWDZBQOSA-N 368.374 3.913 0 1 FHAF in-vivo CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(CC)nn(C)c21 95596132 SFIYKAOEKVQMFE-UHFFFAOYSA-N 372.513 3.550 0 1 FHAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(Cc3cccs3)C2)O1 96018806 UHSUCZVZTQYYGU-PXNSSMCTSA-N 364.555 3.910 0 3 FHAF COc1ccc([C@@H]2CC(c3sc(-c4cccnc4)nc3C)=NN2)cc1 95586404 GGSOUAAHJSXQTI-INIZCTEOSA-N 350.447 3.961 0 1 FHAF Fc1ccc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1 95553037 CKFQEUMTXTUBDS-UHFFFAOYSA-N 356.364 3.624 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3cnc4ccccc4c3)cc2)cc(O)c1=O 653873811 PRXAFJDTUUYFSB-UHFFFAOYSA-N 372.380 3.516 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCN(Cc3cccs3)CC1)O2 587411899 FZRXAKZFMLVZFV-IBGZPJMESA-N 356.491 3.885 0 1 FHAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(Cl)ncc3[nH]2)c[nH]1 587061770 YGSGGOQKCNYUHC-UHFFFAOYSA-N 357.204 3.801 0 1 FHAF Cc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594132 KMCYPNXTOXKGGS-GCJKJVERSA-N 373.364 3.510 0 1 FHAF C=Cc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587591358 VLKYEQLYBKBCOM-UTKZUKDTSA-N 362.385 3.944 0 1 FHAF COC(=O)c1ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587198284 XEOYEWYKVDNQEE-OAHLLOKOSA-N 361.442 3.914 0 1 FHAF N=c1[nH]c2nc([C@@H](Nc3ccccc3)c3ccccc3F)nc-2c(Cl)[nH]1 587149823 MDOWJFLJCFYUQL-ZDUSSCGKSA-N 368.803 3.711 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCN(C[C@H]3CCCO3)C[C@@H]1C)CC2=O 587481028 XKMABVHZEDMMLI-WJONJSRFSA-N 373.493 3.570 0 1 FHAF CCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587763488 JMXMMZLAVOQDGV-ABKXIKBNSA-N 352.251 3.737 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCc4c1cnn4-c1ccccc1)[C@@H](C2)C3=O 587433157 VIRVTZOTEQOUES-GAJHUEQPSA-N 372.424 3.860 0 1 FHAF CCOC(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794800 GRRFKUVKWHQXPG-GTNSWQLSSA-N 372.278 3.927 0 1 FHAF C[C@@]1(c2cnns2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587373711 NAOMQGSQEHHMLO-AEFFLSMTSA-N 356.378 3.657 0 1 FHAF COc1cc(/C=C\c2nc3cc(N)c(N)cc3[nH]2)ccc1Br 586978147 YAPZUXQSMCULDE-HYXAFXHYSA-N 359.227 3.669 0 1 FHAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cc1 586955110 LFHZVYOZJQXMDC-UHFFFAOYSA-N 373.453 3.579 0 1 FHAF CC(C)[C@H](N)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587258784 KFIBJLNHXNRKPK-JTQLQIEISA-N 352.154 3.880 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Cl)cn1 587552535 SDCHESLLKUZSTM-YOEHRIQHSA-N 354.749 3.539 0 1 FHAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)c2c(F)cccc2C[C@@H]2CCCN21 963094274 LSOKVKBZMPSEFF-HTAPYJJXSA-N 366.436 3.831 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@H](c3cccc(-c4ccsc4)n3)c3cccc1c32 963025749 MQAUQWNCMCVFGD-SPLOXXLWSA-N 361.470 3.953 0 1 FHAF CC(C)(c1ccc(Cl)cc1)c1cc(O)n(-c2cc(C(=O)O)ccn2)n1 146777789 KZVFIAJADGKVPK-UHFFFAOYSA-N 357.797 3.650 0 1 FHAF COc1ccc(Oc2ccc(-c3noc([C@H](C)NC(C)=O)n3)cc2)cc1 1772570398 STVSMWGEXFHZBE-LBPRGKRZSA-N 353.378 3.735 0 1 FHAF Cc1c(-c2ccc(N3CC[C@@](C)(O)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772611772 XPWKHPOHPXGDSY-OAQYLSRUSA-N 370.399 3.743 0 1 FHAF O=c1oc(Nc2ccc(I)cc2)nc2ccccc12 13779169 KXLZEFPIBPQEAU-UHFFFAOYSA-N 364.142 3.536 0 1 FHAF COc1ccc(-c2cc3[nH]c(=NCc4ccccc4)[nH]c3cn2)cc1OC 1857589011 WWSUQXFAXHLTSG-UHFFFAOYSA-N 360.417 3.676 0 1 FHAF CC1(C)[C@H](C(=O)NCc2noc(-c3ccco3)n2)[C@H]1c1ccc(F)cc1 1857641544 UEHKZKUTIYBPIQ-CVEARBPZSA-N 355.369 3.525 0 1 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCC(C)(C)CO 4273836 NIUBQNUJSBZVMX-DLBZAZTESA-N 366.527 3.897 0 1 FHAF Cc1nccn1CC[C@@H](C(N)=O)C1c2ccccc2CCc2ccccc21 26261972 NXVDNLZAOMLBSA-OAQYLSRUSA-N 359.473 3.614 0 1 FHAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccnc1)C(F)(F)F 35086115 HHOKWSQIKSJHQJ-INIZCTEOSA-N 360.351 3.692 0 1 FHAF O=C(OCc1ccccc1)[C@@H]1COC(c2cncc(-c3ccccc3)c2)=N1 49109809 KRKDRULKFLDYJU-FQEVSTJZSA-N 358.397 3.637 0 1 FHAF CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)O[C@H](C)CCCCCCC2 66111940 PIQRQWIURJQPNE-CYBMUJFWSA-N 362.422 3.979 0 1 FHAF Cc1ccccc1N1CCN(Cc2ccc(Cl)cc2Cl)C(=O)C1=O 68247213 SJJLOMPJJHXHIH-UHFFFAOYSA-N 363.244 3.677 0 1 FHAF COc1ccc(Cc2nc3c(c(C(C)C)nn3-c3ccccc3)c(=O)[nH]2)cc1 70460359 KXDCSKLHQSXDCP-UHFFFAOYSA-N 374.444 3.832 0 1 FHAF O=C1c2ccc(NCCCN3CCOCC3)cc2-c2nccc3cccc1c23 73311219 INKMUDWQXKENFA-UHFFFAOYSA-N 373.456 3.580 0 1 FHAF COc1cc(OC)cc(C(=O)OCCCc2ccc(OC)c(OC)c2)c1 80929849 IJGNBUQCZVGEMN-UHFFFAOYSA-N 360.406 3.511 0 1 FHAF CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 82159094 LGZJNQCEZXSCST-GASCZTMLSA-N 370.472 3.857 0 1 FHAF CC(C)CNc1ncnc2c1nc(-c1cccnc1)n2CCc1ccccn1 82177924 PHJBVIFXEXKZEV-UHFFFAOYSA-N 373.464 3.594 0 1 FHAF CCCCCNc1ncnc2c1nc(C1CC1)n2CC[C@H]1CCCN1C 82186915 NWWBLSNQQKHOQK-MRXNPFEDSA-N 356.518 3.790 0 1 FHAF CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2c1CCCC2 84671193 SEZVKJGMZCFKJK-NRFANRHFSA-N 363.457 3.696 0 1 FHAF CNCCCN(C)c1cc(-c2ccco2)nc2cc(-c3ccccc3)nn12 95569235 VAPUTVRCDWHPQT-UHFFFAOYSA-N 361.449 3.702 0 1 FHAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccccc4OC)C[C@@H]2N3)cc1 100101632 AJUWKMBVWYZYKK-CEMFKGJOSA-N 363.461 3.700 0 1 FHAF Cn1nc(-c2cc(N)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O 146462160 USPHDQMFECQFEU-UHFFFAOYSA-N 368.343 3.581 0 1 FHAF O=c1c2cn[nH]c2c2cc(F)c(-c3ccccn3)cc2n1CC(F)(F)F 205938952 VDQHMASMRUULGF-UHFFFAOYSA-N 362.286 3.641 0 1 FHAF CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@@H](C(N)=O)[C@@H]2c1ccc(Cl)cc1 299872468 MPGYYTRANFDYAU-MDNXKNQGSA-N 360.885 3.611 0 1 FHAF CCOC(=O)Cc1ccc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2c1 586904568 XFIYAZNYYKIKKY-UHFFFAOYSA-N 352.390 3.756 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1cncc(Br)c1)O2 587373915 VUZZKUNQTAKEFE-CYBMUJFWSA-N 361.239 3.701 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C(F)(F)F)nn(C)c1Cl)O2 587381318 FQWUWNFDAQJYSB-HNNXBMFYSA-N 373.762 3.864 0 1 FHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(F)F 587381854 IEGJZKDVGYGNEH-MRXNPFEDSA-N 363.360 3.936 0 1 FHAF COC(=O)[C@]1(C)CCc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587399353 KIXBBBHAMBKZRE-VXKWHMMOSA-N 365.429 3.563 0 1 FHAF CCOC(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441812 MXRUWCHUYKNVFY-IERDGZPVSA-N 352.386 3.535 0 1 FHAF Cc1[nH]nc2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 587596710 REIXIYQYSKDKGG-XLIONFOSSA-N 373.368 3.675 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1O 587611890 UMNQYMUROWIOLH-YLJYHZDGSA-N 350.326 3.506 0 1 FHAF C[C@H](Oc1ccccc1Cl)C(=O)n1ncc2ccc(Cl)cc2c1=O 587650662 BFVUXVMVROTTSZ-JTQLQIEISA-N 363.200 3.811 0 1 FHAF O=C(c1ccc2ccccc2c1O)n1ncc2ccc(Cl)cc2c1=O 587651927 HHJSSCIIKGWMBW-UHFFFAOYSA-N 350.761 3.597 0 1 FHAF COCCn1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757936 WEYHGTYHNGGCFI-PIGZYNQJSA-N 367.262 3.660 0 1 FHAF Cc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587775216 PRFYBOQFJFOQRM-ZKANADHPSA-N 353.235 3.991 0 1 FHAF C(=C/c1ccccc1)\COCc1nc2ccc(CN3CCOCC3)cc2[nH]1 587781155 QWIQGKKDNDSFQG-QPJJXVBHSA-N 363.461 3.625 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CCCC[C@H]32)N1 587789494 DNFCCMFDNWSIDY-WHCBVINPSA-N 353.279 3.576 0 1 FHAF Cc1ccc([C@@]2(c3ccnc(C)c3)NCCc3nc4ccccn4c32)cc1 962983086 AKBXKXNHFJLUKE-QHCPKHFHSA-N 354.457 3.784 0 1 FHAF CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)NCCc2c(C)ccnc21 963069510 NEBQSMNZJHLSGI-IBGZPJMESA-N 362.832 3.525 0 1 FHAF CCC(CC)Oc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1 1857617548 CRJJDKZGBWUFMR-UHFFFAOYSA-N 357.498 3.874 0 1 FHAF CO[C@]1(CC(=O)OC(C)(C)C)O[C@H](CCc2ccccc2)CC(=O)[C@H]1C 2356478370 BFLUJISEQVQXCF-QLVMHMETSA-N 362.466 3.688 0 1 FHAF COc1ccc([C@@H](O)c2nc(-c3cccc(NC(C)=O)c3)cs2)cc1 61903292 IUVCUGZJRXWEGO-GOSISDBHSA-N 354.431 3.859 0 3 FHAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@@H](C)c1ccc(F)cc1 4153827 LFLSQCLMJFJSLS-QKKBWIMNSA-N 370.424 3.842 0 1 FHAF CN(C)C(=O)c1cccc(N2C(=O)/C(=C3/CCCN3C)c3ccccc32)c1 27437573 FJBXUPTZWOHNJT-VXPUYCOJSA-N 361.445 3.503 0 1 FHAF COC(=O)C[C@@]12CC[C@@H](O1)[C@](C)(CCC[C@H](C)[C@H](O)CC=C(C)C)OC2 27886438 IKRKGVARPWZVAW-CPDPWVEUSA-N 368.514 3.780 0 1 FHAF Cc1cccc(Nc2nnc(-c3c(NCc4ccncc4)ncn3C)o2)c1 28571323 WNWMNXLHKCHCBW-UHFFFAOYSA-N 361.409 3.529 0 1 FHAF COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccccc3OC)[C@H]1CC2 28635281 VJTMYAVTENCVFM-UWJYYQICSA-N 350.418 3.574 0 1 FHAF CNc1nccc(-c2ccc(NC(=O)CCc3ccc(F)cc3)s2)n1 36144152 ORMFNQBOCNXRRU-UHFFFAOYSA-N 356.426 3.957 0 1 FHAF CCCC[C@H](CC)C(=O)OC[C@@]1(CO)C/C(=C/c2ccccc2)C(=O)O1 40423510 VCZRUDXIQKKRLT-MPWLMCFTSA-N 360.450 3.508 0 1 FHAF CC[C@H](C)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1 42966744 BHAFHAMADYHYPJ-JTQLQIEISA-N 373.400 3.776 0 1 FHAF in-vivo COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1C 58568530 ZEFNHODHWXUVFU-SFHVURJKSA-N 357.450 3.745 0 1 FHAF CCC(CC)c1cc(C)n2nc(-c3ccc(N(C)C)nc3C)n(C)c(=O)c12 73224695 SRGCZPTXRKEEME-UHFFFAOYSA-N 367.497 3.681 0 1 FHAF CN(C)CCOc1cc(N)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1 95573502 FODYGLVSIXDICS-UHFFFAOYSA-N 373.460 3.815 0 1 FHAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccnc1 96922464 YDGOIAYLQWVZCN-PXNSSMCTSA-N 364.493 3.705 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2C[C@@H]1c1ccccc12 100654034 CCNUQTMMRGAWTF-IVGZAAIESA-N 364.445 3.814 0 1 FHAF O=C(N1CCN(c2ccc(Cl)cc2)CC1)N1CCc2ccccc2C1 103230786 KYIPVVYLFPHRLX-UHFFFAOYSA-N 355.869 3.640 0 1 FHAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC)c(F)c3)oc2c1 168870384 ZSMPIBLROXGRLI-LLVKDONJSA-N 367.380 3.893 0 1 FHAF COc1ccc2c(c1)C(OC(C)C)=C(C(=O)Nc1ccccc1)[S@@]2=O 253791934 UGWVUANDYNXEJD-RUZDIDTESA-N 357.431 3.549 0 1 FHAF Cc1nc(Br)sc1-c1nc2ccc(Br)nc2[nH]1 587011435 PGWAQOHVJVWHPV-UHFFFAOYSA-N 374.061 3.915 0 1 FHAF COC(=O)c1cc2[nH]c(-c3cc(NC(C)=O)ccc3Cl)nc2cc1OC 587051096 UNCPGAFFRCJJEB-UHFFFAOYSA-N 373.796 3.637 0 1 FHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3c(cc2[nH]1)OCCCO3 587174902 NTNXBKHPKMSXKB-CQSZACIVSA-N 366.396 3.587 0 1 FHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(CCO)cc2[nH]1 587201325 KFCKKIKXLJOAPM-UHFFFAOYSA-N 361.486 3.679 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)cc(Br)cc1F)O2 587383146 YCSFNKPJHWXQPJ-AWEZNQCLSA-N 366.186 3.891 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)OC(C)(C)C)CC1)O2 587393158 GIHZWODKXOLWOQ-KSSFIOAISA-N 374.481 3.948 0 1 FHAF CCc1nnc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)o1 587435814 JCALBPQOZUBZQA-FOIQADDNSA-N 362.385 3.796 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)cc4c1O[C@@H](C)C4)[C@@H](C2)C3=O 587452120 DGLFVOSAPRXISU-LMPSFSECSA-N 352.386 3.516 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CC)(c1c[nH]c(C(=O)OC)c1)CC2=O 587479665 ADZNAZQOSAALLB-HXUWFJFHSA-N 357.406 3.730 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCC)C1(C)C)CC2=O 587482105 ZCUCYYWTRXWZGN-FQEVSTJZSA-N 361.438 3.690 0 1 FHAF CC(C)(C)OC(=O)N1CC([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587517591 QFIBWODCGSQDAS-SFHVURJKSA-N 357.450 3.766 0 1 FHAF COCC(=O)Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587562643 AUGSLELDBXCKSP-UHFFFAOYSA-N 369.259 3.508 0 1 FHAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587588225 PSLWZAKFIMOVPX-RXVVDRJESA-N 363.369 3.889 0 1 FHAF C=Cc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587591356 VLKYEQLYBKBCOM-LAUBAEHRSA-N 362.385 3.944 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(N)c2)N1 587714406 FJIPCOAFAYRIBI-VPTHRUTESA-N 353.210 3.933 0 1 FHAF Cc1cc(C)n(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587763118 IDDUWOQDXLNBPX-DYZYQPBXSA-N 366.278 3.851 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N(C)C)s2)N1 587852719 HURMPAGSTPXVQH-RMLUDKJBSA-N 370.291 3.734 0 1 FHAF COc1cc(C)ccc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587925376 NTCHZUHUJSZVNL-UHFFFAOYSA-N 370.352 3.840 0 1 FHAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1 587935187 QLXXCPAKMMMTPX-UHFFFAOYSA-N 361.445 3.846 0 1 FHAF Fc1ccc(-c2noc([C@H]3CCc4c(nnn4C4CCCC4)C3)n2)cc1 653775420 UXDSKMZZDCGOBW-ZDUSSCGKSA-N 353.401 3.855 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1cccc3cn(C)nc13)N(C)[C@H](C)C2 962635939 VEQVTZDSAGAUSR-ASSNKEHSSA-N 351.450 3.556 0 1 FHAF CC(C)[C@@H](NC(=O)/C=C/c1ccccc1)NC(=S)Nc1ccccc1 1772641582 VKXISAGUHPENLM-KQDNUWKFSA-N 353.491 3.785 0 1 FHAF O=C(COc1ccccc1Cl)Nc1cc(-c2ncco2)ccc1C(=O)O 1857604321 JHEAYWJWHSNDPB-UHFFFAOYSA-N 372.764 3.711 0 1 FHAF COC(=O)[C@]1(C)CCC[C@]23C(=O)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@H]21)[C@H]43 2356614489 WWIJLRGEJWUHJF-IPGDTXOKSA-N 358.434 3.987 0 1 FHAF OCC1(CCOc2ccccc2)CCN(C2Cc3ccccc3C2)CC1 12718826 SLODBECEBRWRKI-UHFFFAOYSA-N 351.490 3.697 0 3 FHAF CC(C)(C)[S@](=O)N1Cc2cc(CO)cc(-c3ccccc3)c2[C@@H]1CCO 61943217 PALLFENXEJWIEV-AFMDSPMNSA-N 373.518 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C[C@@H]1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)C[C@@H](C)N1 14970902 UURQEFJLVUODIL-ZIAGYGMSSA-N 367.884 3.979 0 1 FHAF COc1ccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)cc1 13470727 PQGLTWUOVHNAGW-UHFFFAOYSA-N 351.494 3.939 0 1 FHAF CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OCCC)cc3)nn12 13475528 ODRIUSPRMZPRHG-UHFFFAOYSA-N 350.426 3.799 0 1 FHAF CC(C)N(CC[C@]1(c2ccccc2)C(=O)N[C@H](C)N2CCCC[C@@H]21)C(C)C 28755266 FEKYBEXKIPSLIU-XKCSPQBFSA-N 371.569 3.764 0 1 FHAF CCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1 29250798 AZYMTIZNMLJVIV-UHFFFAOYSA-N 361.323 3.757 0 1 FHAF COc1ccc(C[C@H]2CCCN(C(=O)c3cc4ccc(O)cc4[nH]3)C2)cc1 35259611 HWSVQGNWKMDVKH-MRXNPFEDSA-N 364.445 3.977 0 1 FHAF COc1cc(-n2ncnc2-c2ccc(SC)cc2)cc(OC)c1OC 49783944 SNJZICCUTBJZDK-UHFFFAOYSA-N 357.435 3.682 0 1 FHAF O=C1c2ccccc2CC[C@@]12[C@H]1CSCN1[C@@H]1COc3ccccc3[C@@H]12 64559263 CEQPJQOTFJKWPC-PBVWOCPUSA-N 363.482 3.735 0 1 FHAF COC(=O)c1cc2c([nH]c3ccccc32)c(C(=O)c2ccc(OC)cc2)n1 66080322 YHARCPCDLXXHRF-UHFFFAOYSA-N 360.369 3.742 0 1 FHAF c1nc(NCC2CC2)c2nc(-c3ccsc3)n(C[C@@H]3CCCO3)c2n1 82180764 ICAORVNEFAAQQQ-AWEZNQCLSA-N 355.467 3.556 0 1 FHAF COc1cc(-c2cccc(=O)n2-c2ccc(F)cc2)cc(OC)c1OC 96929956 YEVPVAJVIKICRN-UHFFFAOYSA-N 355.365 3.669 0 1 FHAF O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CNc1cc(Cl)ccc1Cl 104704499 YFIXDYNMAZSAIG-MNOVXSKESA-N 359.640 3.881 0 1 FHAF C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 142738794 BBFFESQUILMRKJ-JTQLQIEISA-N 367.232 3.839 0 1 FHAF C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(C(=O)O)cc3)cc2)C1=O 169720243 IEJPCOBEYSXVIR-YUNKPMOVSA-N 354.427 3.832 0 1 FHAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](CC(C)(C)C)C[C@@H]4[C@@H](C2)N(C)CC[C@]341 195299797 IKEFFWJSZNGXRT-FDSSCPDOSA-N 369.505 3.596 0 1 FHAF COc1cc(/C=C\c2cccc(OC)c2OC(C)=O)ccc1OC(C)=O 238764179 IWTSXXNTGOOTOD-NTMALXAHSA-N 356.374 3.725 0 1 FHAF CN(C(=O)c1ccncc1)c1ccc(OCB2C=Cc3ccccc3N2)cc1 473104932 QGSAYXQCDCUKGQ-UHFFFAOYSA-N 369.233 3.946 0 1 FHAF CNS(=O)(=O)c1ccc(CCc2nc3cccc(C(C)(C)C)c3[nH]2)cc1 586946869 QWUILYQWKZGVHH-UHFFFAOYSA-N 371.506 3.554 0 1 FHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Cl)nc2[nH]1 586974018 SZQDQGVCHSCVKI-CQSZACIVSA-N 360.870 3.722 0 1 FHAF C[C@@H](F)[C@H](N)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587123439 JPHPZFBZLVXUBJ-VHWMUFPASA-N 356.117 3.582 0 1 FHAF CC[C@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336784 APAWEDOYRZOACK-NQIIRXRSSA-N 366.392 3.929 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(F)cc1Br)O2 587384013 IXJFKMRTCCDOAV-INIZCTEOSA-N 365.202 3.754 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(=O)O)[nH]c3ccc(F)cc13)O2 587385837 VOQOQCCXWFNPDB-HNNXBMFYSA-N 354.337 3.602 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(C)cc1C)[C@@H](C2)C3=O 587447332 QFNVQPZBOXJRID-JTSKRJEESA-N 366.413 3.820 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c(OC)c(OC)c1)CC2=O 587485010 XUKFXPHLKIKWFU-QGZVFWFLSA-N 358.390 3.774 0 1 FHAF Cn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587581130 KDZVERHJGQHXGD-GCJKJVERSA-N 372.380 3.982 0 1 FHAF CC(C)CCOC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598453 UTUZRPHOFGKLAS-UWJYYQICSA-N 370.401 3.702 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC21CCOCC1 587606159 BURJYPMOAULMSP-LAUBAEHRSA-N 352.386 3.683 0 1 FHAF CCc1nccnc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587767878 BQDXJEJATJKDRH-DYZYQPBXSA-N 364.262 3.738 0 1 FHAF Cc1[nH]nc2c1[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798718 VNWXAOYUSTUCQN-HUTHGQBESA-N 364.262 3.734 0 1 FHAF COC(=O)C[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587809426 RJFUELASYVIQLF-MOCULFSLSA-N 370.262 3.681 0 1 FHAF Clc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)s1 1772597860 CXSDCJPPHASQQC-UHFFFAOYSA-N 372.885 3.700 0 1 FHAF COC[C@H](OC(C)=O)[C@H]1OCc2ccccc2[C@@H]1C=Cc1ccccc1 1857622903 SSAJXUFJYJHGDQ-FKBYEOEOSA-N 352.430 3.961 0 1 FHAF CC(C)[C@@H](COc1ccccc1)N1CCN(Cc2ccccc2)CCC1=O 15937574 IYAIQSFUCXYKJO-JOCHJYFZSA-N 366.505 3.825 0 3 FHAF CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)cc(C)c1C 1018873 GPDFAAAAUSQXAJ-UHFFFAOYSA-N 374.506 3.895 0 1 FHAF C[C@H]1CCCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)C1 3895560 DATXYHWLIOTALJ-ZOCIIQOWSA-N 368.502 3.917 0 1 FHAF CC(C)CCCCCCCCCCC[C@H](O)[C@H](N)CS(=O)(=O)O 5452883 XMTQSVIYISYLNK-SJORKVTESA-N 351.553 3.510 0 1 FHAF in-vitro 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)CC[C@]12O 5535101 XZTUSOXSLKTKJQ-BGTVMMHMSA-N 374.521 3.604 0 1 FHAF O=S1(=O)Nc2c(cc(Br)c3cccnc23)-c2ccccc21 13818028 ICKWGFVCWINEHB-UHFFFAOYSA-N 361.220 3.779 0 1 FHAF O=C(NCCCc1ccccc1)c1nccn1Cc1ccc(Cl)cc1 21643383 IREFHMVOSOKJML-UHFFFAOYSA-N 353.853 3.947 0 1 FHAF CC(C)(O)CCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 40431018 AYUNNFKIGORBHC-UHFFFAOYSA-N 373.324 3.596 0 1 FHAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)CO)c2)[nH]1 40936052 QZPGMBTVZASOSS-NSHDSACASA-N 358.442 3.792 0 1 FHAF C[C@H](N[C@@H](C(=O)O)C(F)(F)C(=O)c1ccc(Cl)cc1)c1ccccc1 84615707 XKNRRUKTLCKGED-NHYWBVRUSA-N 367.779 3.962 0 1 FHAF CCC[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)[P@@](=O)(O)OC 103182528 STOVNIHJRPLRDZ-ZDUSSCGKSA-N 371.153 3.873 0 1 FHAF CCCCN(C)C(=S)N1CCC(c2cccc(Br)c2)=N1 103193032 GCPQULKDROVKNH-UHFFFAOYSA-N 354.317 3.876 0 1 FHAF Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1NC(=O)c1ccc(F)cc1 103221172 QXAUKEWLUCOWHC-UHFFFAOYSA-N 355.344 3.719 0 1 FHAF C[C@@]12[C@@H]3CC[C@@H](C3)[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)S2(=O)=O 142005338 OUDPUISFUNFLNY-KVFNFIISSA-N 370.396 3.532 0 1 FHAF O=C1c2ccc(OCc3cccc(F)c3)nc2CCN1Cc1ccccc1 142331535 YMPXMMDJTCRKIM-UHFFFAOYSA-N 362.404 3.998 0 1 FHAF C/C=C/c1c(C)cccc1C(=O)N[C@]1(C(=O)O)Cc2ccc(F)cc2C1 146782069 RCKNFKFXUYXQGD-LAEWNIMASA-N 353.393 3.519 0 1 FHAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cn2ccccc2n1 166747869 DAMQOVYIJJKZLF-INIZCTEOSA-N 365.433 3.605 0 1 FHAF CCCCCC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)CCCCC)C[C@@H]1N2C 169351517 AZSYRDPIBWFYBO-MHORFTMASA-N 353.503 3.837 0 1 FHAF Nc1ncc(-c2ccc(-c3ccccc3OC3CCNCC3)cc2F)cn1 224811792 XTZSBFLPUBSFEF-UHFFFAOYSA-N 364.424 3.663 0 1 FHAF O=C(O)c1cc(F)cc2[nH]c(-c3cc(F)cc(Br)c3)nc12 236458142 QTHJXIUQPBQKDI-UHFFFAOYSA-N 353.122 3.969 0 1 FHAF COC(=O)C1=CC[C@]2(C[C@@H]1O)[C@@H](C)CC[C@@H]2[C@H](C)CCC(=O)C(C)C 238736232 WLOJMVRFMHXVIR-UHRLKCEPSA-N 350.499 3.914 0 1 FHAF CC[C@@]12CCCN3CCc4c(n(c5c(OC)c(OC)ccc45)C(=O)C1)[C@H]32 238750243 GYPAVOKGSJNVHQ-LEWJYISDSA-N 354.450 3.792 0 1 FHAF CC(C)(C(=O)O)[C@H]1CC[C@]23C[C@H](CC[C@@H]2[C@]1(C)CC(=O)O)[C@]1(C)O[C@@H]13 238772397 QGTMYAPGXJWNQR-XMJVJJKTSA-N 350.455 3.562 0 1 FHAF Fc1cnc(Cl)c2[nH]c(-c3cnn4cccc(Br)c34)nc12 587006032 AEVNVNIUNMYQFZ-UHFFFAOYSA-N 366.581 3.828 0 1 FHAF CN(C)CCOc1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587017855 PSHHRTCCOPGNSH-UHFFFAOYSA-N 368.462 3.811 0 1 FHAF COc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cn1 587081758 FDSPWGNPNGMTTR-UHFFFAOYSA-N 355.785 3.520 0 1 FHAF Cc1cnc2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2c1 587204467 VJUJYRPHKABDRH-UHFFFAOYSA-N 351.410 3.783 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(F)cccc1N1CCCC1)[C@@H](C2)C3=O 587424602 PXBZWFJYYWGJBJ-QKKBWIMNSA-N 353.393 3.923 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(Cl)n1 587552113 NNSXFYYIJCHKEE-CRAIPNDOSA-N 354.749 3.539 0 1 FHAF CC(C)(CN1CCCC1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590900 DASXGBZPSZVDIR-GHTZIAJQSA-N 367.445 3.844 0 1 FHAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587767262 AGSLVYDOEYLNLT-BMLIUANNSA-N 365.246 3.790 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn3nccc3c2)N1 587793056 JJHYHJYJBFNEHP-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF Cc1noc(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793788 KZUUKRLPRVAMLC-VPTHRUTESA-N 353.235 3.991 0 1 FHAF COC(=O)[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807132 LCJLTTHVXKYYRH-MGPLVRAMSA-N 358.251 3.537 0 1 FHAF COc1cccc(C(=O)c2ccc(-c3nc4c(OC)cncc4[nH]3)cc2)c1 587930991 LNHLXHAKBFZTFT-UHFFFAOYSA-N 359.385 3.873 0 1 FHAF CN(C)c1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cn1 962713647 SHTUSWVIXRIBKE-YWZLYKJASA-N 357.498 3.740 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cnc(-c2ccccc2)[nH]1 963046106 IFOZKNFJPRIVPE-OAQYLSRUSA-N 356.429 3.869 0 1 FHAF CC(C)(C)[C@H]1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21 1857648806 VRLLUDPWEDVARZ-INIZCTEOSA-N 372.469 3.762 0 1 FHAF NC(=O)c1c(F)ccc(OCc2cc(-c3cccc(Cl)c3)no2)c1F 1857774272 JEPOTEBTTYRCSN-UHFFFAOYSA-N 364.735 3.951 0 1 FHAF C[C@]1(c2nc3ccccc3[nH]2)c2ccccc2C(=O)N1Cc1ccccn1 95569220 UBDQVUWXXWREFH-JOCHJYFZSA-N 354.413 3.877 0 3 FHAF CCOc1ccccc1[C@@H]1N(c2ccc(OC)cc2)C(=O)[C@@H]2CCCN21 250517082 OZMYKLSIWONMIE-ICSRJNTNSA-N 352.434 3.604 0 3 FHAF CC(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c(C)s1 1366143 VVLBNPFTRUBZNT-SNVBAGLBSA-N 355.463 3.765 0 3 FHAF CC1(C)OC(=O)C=CC2=CC3=C(CC[C@@H]21)[C@]1(C)[C@H](O)CC(=O)[C@]1(C)CC3 2356326126 VAVPMWAWMDNSAO-HOWVWPRWSA-N 356.462 3.651 0 1 FHAF Cc1sc2nc3c(C(=O)N4CCCCCC4)cccn3c(=O)c2c1C 3906799 JNRJWJPHZXPFBW-UHFFFAOYSA-N 355.463 3.542 0 1 FHAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(Cl)cc1 104115601 FGTUKIAQMSRCSO-IDTYTIONSA-N 361.833 3.998 0 1 FHAF COc1cc(C[C@H]2NCCc3c2[nH]c2ccc(C)cc32)cc(N)c1OC 26674432 NORNTMDYRGYQNW-GOSISDBHSA-N 351.450 3.505 0 1 FHAF O=C1CC(=O)N(C2CCCC2)C(=O)N1CCc1ccc(Cl)c(Cl)c1 101678063 FPWZHDSSYQQWJI-UHFFFAOYSA-N 369.248 3.659 0 1 FHAF CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C)cc2)c1)C(=O)O 29127347 DUQDIFIIEUZSTQ-INIZCTEOSA-N 355.434 3.587 0 1 FHAF O=C(O)C[C@@H]1C[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1 28648088 DPFLAGDMGNKRSD-QFBILLFUSA-N 352.434 3.639 0 1 FHAF CCc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1 34805095 NGKVENZQSVABNT-UHFFFAOYSA-N 372.472 3.668 0 1 FHAF CC(C)C[C@@H](S)C(=O)C[C@H](Cc1ccc(Br)cc1)C(=O)O 219763073 HSHGOAKGYAGHLY-SWLSCSKDSA-N 373.312 3.996 0 1 FHAF COc1ccc(C(=O)O)cc1-c1cnc(N)c(N[C@H](C)c2ccccc2)n1 96284812 IPPCFMZAQYUQPP-GFCCVEGCSA-N 364.405 3.606 0 1 FHAF CCOc1ncc(CN2CCC(N(C)Cc3ccc(F)cc3)CC2)s1 299857509 FGUDGGFENFCQMY-UHFFFAOYSA-N 363.502 3.777 0 1 FHAF CC[C@H](C)C(=O)O[C@H]1C(=O)c2c(O)cc(OC)cc2O[C@@H]1c1ccccc1 49089464 JAOSOUFNEUGWHA-KNMUDHKVSA-N 370.401 3.675 0 1 FHAF biogenic O=C(CNc1ccc(F)c(Cl)c1)n1ncc2ccc(Cl)cc2c1=O 587652195 XLNFOXCCHSAMJP-UHFFFAOYSA-N 366.179 3.595 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ncc(Br)cc1C)[C@@H](C2)C3=O 587420569 XWKXTGPJHVASFC-YVEFUNNKSA-N 360.207 3.650 0 1 FHAF Oc1cccc(CCc2nc3ccc(I)cc3[nH]2)c1 586897201 ULNFJNOHUIICCP-UHFFFAOYSA-N 364.186 3.658 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCN(C)C2)N1 587762875 UXTJIIZETUFJCA-CJBNDPTMSA-N 355.295 3.679 0 1 FHAF N[C@@H](Cc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Br)cc1F 587142606 HSHJKSZMUNXDCU-LBPRGKRZSA-N 370.172 3.985 0 1 FHAF CCn1cc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)c(C)n1 587639103 VSRVBXFVWRNKHK-UHFFFAOYSA-N 365.311 3.803 0 1 FHAF Cn1ncc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587583981 XTDSOKCUUYFVEH-UGKGYDQZSA-N 372.380 3.982 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](n4nc(C)cc4C)C1)[C@@H](C2)C3=O 587430467 GHARSDYNVTXXMZ-LDBYXDLTSA-N 352.434 3.810 0 1 FHAF COC(=O)c1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cn1 586894745 CBFOYYYOSAFKBV-UHFFFAOYSA-N 359.385 3.571 0 1 FHAF CCOC(=O)Cc1c([C@H](C)O)nc2cccc3c2c1-c1ccccc1C3=O 587108300 YTFOIAIAFFTAQC-LBPRGKRZSA-N 361.397 3.605 0 1 FHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C)c(C)cc3[nH]2)cc1 587228134 GSFPEGFDDDETKN-UHFFFAOYSA-N 366.421 3.678 0 1 FHAF c1cc2c(s1)CCS[C@H]2c1nc2ccc(CN3CCOCC3)cc2[nH]1 587036670 JAXFIOOTBODEND-GOSISDBHSA-N 371.531 3.835 0 1 FHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)cnc4[nH]3)cc2N1 587126692 MCKUMAJICBCBBW-LDWIPMOCSA-N 356.739 3.782 0 1 FHAF CC(C)c1nn(C)c2c1[C@@](c1cccnc1)(c1ccc(F)c(F)c1)NCC2 962919589 LGMRBIZYATZSRK-NRFANRHFSA-N 368.431 3.654 0 1 FHAF Cc1cc(OCc2cccnc2C)ccc1-c1ccnc(N2CCNCC2)c1 1772631959 SLKMFAIPCMPTTR-UHFFFAOYSA-N 374.488 3.749 0 1 FHAF O=C(O)c1csc(-n2nc(-c3ccc(Cl)c(Cl)c3)cc2O)n1 1772586149 NSIIPDAWTHMANK-UHFFFAOYSA-N 356.190 3.706 0 1 FHAF O=C(Cc1ccccc1F)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 12574082 BQJPOUCEBYMCNU-GOSISDBHSA-N 360.860 3.802 0 3 FHAF Cc1nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2n1C 205198535 WSKXMIQVCMWHGL-UHFFFAOYSA-N 363.392 3.751 0 1 FHAF CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@H](C)N[C@@H]2C 1857592780 LEAHJAIHLLRHKK-DTWKUNHWSA-N 358.492 3.973 0 1 FHAF COCCOCCOCCOCOc1c(C(C)C)cccc1C(C)C 1857648505 JMIJDSNEVQOBPU-UHFFFAOYSA-N 354.487 3.966 0 1 FHAF CN(C)CCCN(C)c1nc(-c2ccc(N(C)C)cc2)cc2ncccc12 13489187 CUBOTXMHIWEQRV-UHFFFAOYSA-N 363.509 3.751 0 1 FHAF CC[C@@H](CCc1ccc(O)c(OC)c1)NC(=O)NCCc1ccccc1 13489532 AVXSTMOHFXVTMR-SFHVURJKSA-N 356.466 3.654 0 1 FHAF O=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1[C@@H]1CCNC1 27754079 NWWBSQWYWOKQJY-CYBMUJFWSA-N 374.271 3.539 0 1 FHAF O=C(O)[C@H]1C/C(=C2\CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 34039812 XDKRVNKVAKCFGW-WBYGGXTKSA-N 368.820 3.799 0 1 FHAF CCO[C@@H](Cc1cccc(C2=NO[C@H](c3ccc(F)cc3)C2)c1)C(=O)O 40937588 SHEXHMGVCDIUNB-OALUTQOASA-N 357.381 3.724 0 1 FHAF CC1(C)NC(=O)C2=C1Nc1cc3c(cc1[C@H]2c1cccc(Cl)c1)OCO3 40940370 CDLMKDXEAZMDTM-MRXNPFEDSA-N 368.820 3.789 0 1 FHAF COc1cc(O)ccc1[C@@H]1CC(=O)c2c(O)cc3c(c2O1)C=CC(C)(C)O3 43071953 QYFQIQNDWGAVKJ-KRWDZBQOSA-N 368.385 3.997 0 1 FHAF biogenic O=C(c1ccc(Br)cc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1 49068429 SMOCSSMOCXIMPM-IAGOWNOFSA-N 366.299 3.647 0 1 FHAF Cc1cnc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nc1 49113194 DKUSBKIKXOGBSX-UHFFFAOYSA-N 373.884 3.921 0 1 FHAF Cc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)cc1C 64586004 YGLBSBMBNJMIQH-UHFFFAOYSA-N 364.854 3.642 0 1 FHAF CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(NC)cc2)NC(=O)N1 73296722 DOCDRZVYUHATHT-IBGZPJMESA-N 371.481 3.870 0 1 FHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cccc(Cl)c1 117584047 DVCBTEJLIHVUGC-UHFFFAOYSA-N 359.857 3.851 0 1 FHAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C)[n+]1[O-] 169700077 KNHAVVVVHAKBJV-UHFFFAOYSA-N 351.381 3.640 0 1 FHAF COc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)c2ncccc2c1 201603878 DLPHAJPOPFCPAV-UHFFFAOYSA-N 366.801 3.837 0 1 FHAF O[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F 204409710 WBPXIZGHZJSPSC-GOEBONIOSA-N 369.362 3.695 0 1 FHAF CC(C)=CCC(=O)[C@@H](C)CCc1cc(C(=O)O)cc2c1OC(C)(C)[C@H](O)C2 205995730 BYFMMVPQPDLEJP-IFXJQAMLSA-N 374.477 3.953 0 1 FHAF C[C@H](c1ccc(Nc2nc3c(C(N)=O)cc(F)cc3s2)cc1)N(C)C 230570438 ZZNKSJOSXHEVOQ-SNVBAGLBSA-N 358.442 3.901 0 1 FHAF in-vitro C[C@@H]1CC[C@@H]2[C@H]1C(=O)O[C@@H](O[C@@]1(C)OC(=O)[C@@H]3[C@@H](CC[C@H]3C)[C@H]1C)[C@@H]2C 238739229 HXFBSJZTEMCZFX-YPTPOSINSA-N 364.482 3.756 0 1 FHAF Cc1ccc2c(C(=O)N3CCN(C)CC3)cn(CC3CCCCC3)c2c1 299838904 OTVBKTJTSQCANS-UHFFFAOYSA-N 353.510 3.918 0 1 FHAF CCO[C@@H](C)c1nc(C)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)s1 587013825 CLVIIXDJJMOEEM-ZETCQYMHSA-N 357.361 3.853 0 1 FHAF N[C@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1Cl 587057684 QPWKONXKFPALJD-CQSZACIVSA-N 355.804 3.784 0 1 FHAF Nc1c(F)cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1F 587134732 LUQQMOCCWANDRB-UHFFFAOYSA-N 368.137 3.551 0 1 FHAF COC(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1OC 587152285 LEXAPLAHHPSFCR-NWDGAFQWSA-N 358.344 3.907 0 1 FHAF COc1cc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2cc1OC 587155990 KGNIWPQSQDCQSN-UHFFFAOYSA-N 368.368 3.581 0 1 FHAF O=C(/C=C\c1nc2cc3c(cc2[nH]1)OCCCO3)Nc1ccc(F)cc1 587166938 KMMGJLQJLDBJQU-SREVYHEPSA-N 353.353 3.515 0 1 FHAF O=C(O)CCc1c(-c2ccc3c(c2)OCCO3)nc2cccc3c2c1CC3 587215447 HVUIDBUMYFFGFY-UHFFFAOYSA-N 361.397 3.789 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(=O)O)cc1)(c1cc[nH]c1)O2 587396413 KQYMHAROFYOUSW-OAQYLSRUSA-N 362.385 3.513 0 1 FHAF COCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587399588 LCMWMOOJPZMWSJ-IBGZPJMESA-N 371.433 3.708 0 1 FHAF Nc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508025 FHJBVJFPOBCGRH-JOCHJYFZSA-N 365.429 3.873 0 1 FHAF COc1ccccc1C[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587525445 OVCKFEVZHLUCLD-QFIPXVFZSA-N 366.413 3.605 0 1 FHAF CCOc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528175 XUCZYQBFUZVLMO-QFIPXVFZSA-N 363.413 3.777 0 1 FHAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587572106 NJZPFTCOBBWFFM-NQIIRXRSSA-N 362.385 3.556 0 1 FHAF C[C@]1(c2cc(O)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580584 SHZHQTQIJNDAJU-GHTZIAJQSA-N 363.369 3.557 0 1 FHAF CC(C)Cn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581224 KZXOBYDEOUJDLF-RXVVDRJESA-N 364.401 3.948 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1cccnc12 587584914 BYJSHTLFKCUKPS-GCJKJVERSA-N 359.381 3.981 0 1 FHAF Cc1nsc(N)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617855 LFVPQEXZPKIUDK-KXBFYZLASA-N 368.414 3.616 0 1 FHAF CC(C)n1cncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587755078 ODAAIUMDUCQMJH-HWPZZCPQSA-N 352.251 3.989 0 1 FHAF CCCn1ccnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587755699 PXIFCWINTPFLKH-BMIGLBTASA-N 352.251 3.818 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ccnn23)N1 587798374 VFQBMQNXHBEOOR-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1[nH]c2ccccc2c1N 587873418 YVQUXPSZCSWFML-UHFFFAOYSA-N 364.380 3.840 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1cnc3ccccc3c1)(C1CC1)NCC2 962926464 PBHVLDZGGRFRNN-DEOSSOPVSA-N 371.484 3.736 0 1 FHAF COc1cc2c(c(OC)c1OC)CC[C@@]21NCCc2cccc(Cl)c21 963390334 HQQIMRFWIITJRB-HXUWFJFHSA-N 359.853 3.701 0 1 FHAF Fc1ccc([C@@H]2CCCN2CCCn2nnc(-c3ccccc3)n2)cc1 1857542657 HCBIAUDKSCASKS-IBGZPJMESA-N 351.429 3.706 0 1 FHAF COc1ccccc1CN1CC[C@@H]2COC(=O)N2c2cc(C)ccc2C1 2356290173 LFIJSYDOHAFSHX-GOSISDBHSA-N 352.434 3.735 0 1 FHAF CC=CC=C[C@@H]1C[C@@H]2OC(C)(C)[C@@H]3CC=C(C)C[C@@H]3[C@@H]2[C@@H](O)[C@@H]1C(=O)O 2356333195 OOJIJOYRIABZDN-PHUPPTAPSA-N 360.494 3.966 0 1 FHAF CC1=C[C]2C=CC3=C(O[C@H](C(C)(C)O)C3)C2=CN1[C@@H](CC(C)C)C(=O)O 2356836597 WWRFJAZYHXIPOW-ROUUACIJSA-N 358.458 3.547 0 1 FHAF Cc1cc(N[C@@H]2CCc3cc(F)ccc3C2)n2nc(C(C)(F)F)nc2n1 2382221922 CVWRIJKCARXPJK-CQSZACIVSA-N 361.371 3.653 0 1 FHAF Cc1sc2nc(CN(Cc3cccs3)C(=O)C3CC3)[nH]c(=O)c2c1C 8578911 ZIBNXJLGMQFTDW-UHFFFAOYSA-N 373.503 3.602 0 3 FHAF CSC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 13745295 QVASMCVTIDMUGU-UHFFFAOYSA-N 353.407 3.603 0 1 FHAF c1ccc(Oc2ncnc3ncn([C@@H]4COc5ccccc5CO4)c23)cc1 40393220 JFEMPOZNANYFLG-KRWDZBQOSA-N 360.373 3.726 0 1 FHAF O=S(=O)(Nc1ccncc1Nc1ccccc1Cl)C(F)(F)F 49372264 ZLOZBOGSCGGPFN-UHFFFAOYSA-N 351.737 3.740 0 1 FHAF Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccccc3)c2)n1 58591223 MKBQBMWQPUXDQQ-IERDGZPVSA-N 361.445 3.666 0 1 FHAF in-vitro COc1cccc(C(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1 64528321 MUDZOJVQRGRXKL-UHFFFAOYSA-N 368.820 3.811 0 1 FHAF O=C(O)c1cc2cc(Br)cc(NCCC3CCNCC3)c2o1 71282331 JAXWDNNZTVFOMJ-UHFFFAOYSA-N 367.243 3.695 0 1 FHAF Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)n(C(C)C)c(=O)c12 88346121 NCOOLRRVEOHXRV-CYBMUJFWSA-N 362.437 3.730 0 1 FHAF COc1ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c2c1C=CC(C)(C)O2 96902673 MNYLMTGQUPVQKX-AWEZNQCLSA-N 368.385 3.650 0 1 FHAF biogenic CC[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)C[C@]12NNC(=S)N2 103202672 KUAQYUNEZTVRNS-LXZJYRNTSA-N 353.491 3.594 0 1 FHAF CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)c(C(C)C)c3)nc2)C1=O 117696030 XIOQUVPRNWUTBF-QGZVFWFLSA-N 364.405 3.704 0 1 FHAF C[C@@H](c1cccc(-c2cccc(C(N)=O)c2)c1)c1n[nH]c(=O)c2c1CCCC2 169194711 NWZKLXGLXQEEBI-AWEZNQCLSA-N 373.456 3.566 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2C(=O)C[C@@H]1C3 238751459 FSXAFKCSUNTGFS-ODNRDLGDSA-N 362.510 3.892 0 1 FHAF Cc1cc(-c2cncs2)cc2c(NC3CCOCC3)cc(=O)n(C)c12 299852649 VTRMEFAHIDGTBJ-UHFFFAOYSA-N 355.463 3.561 0 1 FHAF COc1cc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2cc1F 586970212 ILGATTMBXKATMQ-UHFFFAOYSA-N 373.453 3.933 0 1 FHAF OCCc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586996103 RPIFHKFKYSSIKR-UHFFFAOYSA-N 360.255 3.515 0 1 FHAF CCCn1cnc2cc(-c3nc4ccnc(O)c4[nH]3)cc(Br)c21 587002593 BOTGIDQKLPBUDC-UHFFFAOYSA-N 372.226 3.853 0 1 FHAF COc1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1OC 587006282 CTWBDZQVLDBGJK-UHFFFAOYSA-N 373.210 3.657 0 1 FHAF Cn1cc(C(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1 587103942 CIXNYFSJLXQTDW-UHFFFAOYSA-N 353.381 3.605 0 1 FHAF COc1ccc(-c2nc3ccc(C)nc3[nH]2)c(I)c1 587180090 LMJWQRMRIGRVDD-UHFFFAOYSA-N 365.174 3.547 0 1 FHAF CC(=O)O[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351295 UCNSXABOCWQGGB-ZUNHGIIWSA-N 358.365 3.601 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)([C@@]14C[C@@H]5C[C@@H](C[C@@](O)(C5)C1)C4)[C@@H](C2)C3=O 587448216 AUNCWZHLUARAPW-GYOYBRDLSA-N 354.446 3.533 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3cc(C)ccc31)CC2=O 587483399 FLBSVVPJHYRGBL-OAQYLSRUSA-N 352.386 3.823 0 1 FHAF CC(C)(CN1CCCC1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590901 DASXGBZPSZVDIR-NQIIRXRSSA-N 367.445 3.844 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(C)(C)C)nn2)N1 587758242 IDPPIZUYVHZUFJ-PSLIRLAXSA-N 367.266 3.558 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncn3ccccc23)N1 587771988 MRRMTOBNVKTCQX-QLJPJBMISA-N 360.230 3.860 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2NC=Cn3cccc32)N1 587772802 OVXWYTGTZAFBBO-FDOKIQAASA-N 362.246 3.738 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)O)o2)N1 587827204 IHQBVFCLYPDZMG-ZKANADHPSA-N 368.202 3.677 0 1 FHAF CC(C)C1=C[C@]2(CC(=O)O1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587829979 DFYZRGFMNSKUQF-DYZYQPBXSA-N 368.246 3.805 0 1 FHAF CCCc1ncc([C@@H]2c3ccsc3CCN2Cc2cccn2C)cn1 962380662 XRKRJEKUQDYPEW-HXUWFJFHSA-N 352.507 3.977 0 1 FHAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccccc1OC(=O)N(C)C 963269240 GUOGERKXPIVLMJ-SFHVURJKSA-N 360.841 3.644 0 1 FHAF COc1cc(F)ccc1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772603516 QGPYAUBLEFNGIR-INIZCTEOSA-N 356.353 3.799 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 1772632470 OBBOYFCTOJVGLE-SCLBCKFNSA-N 360.404 3.820 0 1 FHAF C[C@@]12C[C@H]3C[C@@](C(=O)NC4CCNCC4)(C1)C[C@@](c1ccccc1)(C3)C2 1911572029 NIDKZVQMYGBNJT-FJTGNWTPSA-N 352.522 3.783 0 1 FHAF O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2cccs2)C1 1911573180 FLJSCZKFBCJGPG-NSHDSACASA-N 369.273 3.724 0 1 FHAF COc1cc(OC)c(C[C@H](C)[C@@H](C)Cc2cc3c(cc2O)OCO3)cc1O 2356517406 IQTGLBVEPWUBII-STQMWFEESA-N 374.433 3.901 0 1 FHAF Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1nc2c(s1)CCCC2)C(C)C 3421602 KKWXDPSDTQJNJB-QGZVFWFLSA-N 371.506 3.723 0 3 FHAF C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)ncn2C1CCCC1 2933231 ROCBNNBUMWVOPE-MRXNPFEDSA-N 354.498 3.756 0 1 FHAF CC1(C)C(c2ccc(F)cc2)=[N+]([O-])C(C)(C)C(c2ccc(F)cc2)=[N+]1[O-] 3667829 XVIRULMFNNYCOT-UHFFFAOYSA-N 358.388 3.835 0 1 FHAF CC[C@H]1[C@H](C)C(=O)C[C@]23CCN(CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 101193958 WNPYNRMJONMARB-FGRIVGITSA-N 353.506 3.922 0 1 FHAF CSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@@H]2c1cccnc1 103948504 FAMYZUFUKYQSGC-IGWPVBGESA-N 372.450 3.732 0 1 FHAF O=C(Cc1c(F)c(F)c(F)c(F)c1F)OC12CC3C[C@H](C1)C(=O)[C@H](C3)C2 101507443 OUPWONPHKPKUTB-FPLQKLLFSA-N 374.305 3.616 0 1 FHAF COC(=O)/C=C/c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1 103230075 CHKTVDIBROVIER-DHZHZOJOSA-N 371.392 3.756 0 1 FHAF C[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 101365345 JTGRNPYKTUVLFU-XKDCRVNJSA-N 364.489 3.579 0 1 FHAF O=C1CCc2cc(-n3cnnc3)ccc2N1Cc1cccc(C(F)(F)F)c1 103245487 URTJMYYOQAHVCS-UHFFFAOYSA-N 372.350 3.766 0 1 FHAF Brc1ccccc1CCO[C@@H]1CCCC[C@H]1N1CCOCC1 28653652 SUYFDUWRPFXUNN-QZTJIDSGSA-N 368.315 3.652 0 1 FHAF O=C(O)c1ccccc1S(=O)(=O)n1c2ccccc2c2ccccc21 28369675 WVHKYPINALNKJJ-UHFFFAOYSA-N 351.383 3.730 0 1 FHAF in-vivo CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C/OC)C(=O)O 26839624 AKYLRDOWENYZPT-MPIYBWNCSA-N 354.450 3.728 0 1 FHAF CCCCc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cc1 48998305 MTCMNJMYZJEHTM-UHFFFAOYSA-N 357.519 3.691 0 1 FHAF COc1cccc(CN2CCO[C@]3(C2)CC(C)(C)Oc2ccccc23)c1 40859885 WDOCEXZDZODFFC-QFIPXVFZSA-N 353.462 3.984 0 1 FHAF CC[C@H](C)N(C[C@@H](O)CNc1cc(OC)cc2cccnc12)[C@H](C)CC 40933585 CMUQIECDLISBIR-JZXOWHBKSA-N 359.514 3.915 0 1 FHAF COc1ccc(N2C(=O)C[C@H]([C@@H]3C[C@@H](C(C)(C)C)CCC3=O)C2=O)cc1 195467216 ZJAKQAZFSNFVHD-RRQGHBQHSA-N 357.450 3.606 0 1 FHAF O=C(O)c1cc(-c2ccc(Cl)cc2)nc2c1cnn2Cc1ccncc1 95584100 JIOIJFKIEGMJNE-UHFFFAOYSA-N 364.792 3.893 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1cc3c(cc1O)OCO3)[C@@H](C)[C@H](C)C2=O 238751881 PAYPMQRYGQALTD-SULUTDIPSA-N 370.401 3.739 0 1 FHAF Cc1cc2ncn(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@@H]34)c2cc1C 653793670 NPMDPIXHUDNEPJ-XZOQPEGZSA-N 374.488 3.619 0 1 FHAF Fc1cc(Br)cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587161225 NEXODCRJWUNGFU-UHFFFAOYSA-N 361.096 3.892 0 1 FHAF CC[C@]1(c2cnn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587763596 KJDGHDYKDLUUKO-BMLIUANNSA-N 366.278 3.818 0 1 FHAF C[C@]1(c2ccc(C(=O)O)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614985 FAENTSQLJKGJFE-OXJNMPFZSA-N 366.325 3.560 0 1 FHAF C[C@H](O)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615718 XPFBTCJOHFYGCL-VDYXNGCNSA-N 369.398 3.605 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccco3)c(C(=O)C(F)(F)F)c2c1 587649564 QBWYVUWDULIYIN-UHFFFAOYSA-N 357.309 3.576 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587445315 UTYZGHAWRZOCTQ-YCRPNKLZSA-N 373.449 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H]1CC[C@@H](C(=O)O)C1)O2 587409506 VZDFIEBNLOHZTG-WEBUEUPWSA-N 365.429 3.939 0 1 FHAF FC(F)(F)CCc1ocnc1-c1nc2cncc(Br)c2[nH]1 587092586 RXPRVYMOPYLXCF-UHFFFAOYSA-N 361.121 3.870 0 1 FHAF CCOC(=O)Cc1ccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2c1 587952441 QVECADDITYGCIK-ODIFPOPNSA-N 374.481 3.746 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC3(C2)OCCO3)N1 587840554 ZFCQRKNBMWSLIA-MEDUHNTESA-N 370.262 3.635 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(O)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587418158 BANUTPYUDNSMMB-SUMWQHHRSA-N 350.292 3.908 0 1 FHAF Cc1ncn(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587578835 RXKFQJUWRKYGGV-RXVVDRJESA-N 364.401 3.626 0 1 FHAF CCO[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCOCC2 587536930 YRNIGIHFNULWEG-SIKLNZKXSA-N 356.462 3.875 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnc(Br)cc1C)[C@@H](C2)C3=O 587417722 PFJZMOLOHNPWIQ-APPDUMDISA-N 360.207 3.650 0 1 FHAF COc1ccc2cc([C@@H](C)c3nc4c(O)nc(S)nc4[nH]3)ccc2c1 587934004 DTCYFEIUSUTVMX-SECBINFHSA-N 352.419 3.661 0 1 FHAF O=C(NCc1nc2ccc(Cl)nc2[nH]1)c1cccc(C(F)(F)F)c1 587112208 QXZBNIIWDBKEBP-UHFFFAOYSA-N 354.719 3.560 0 1 FHAF O=C(/C=C/c1nc2cc(C(F)(F)F)ncc2[nH]1)Nc1ccc(F)cc1 587166421 CMBDWFVFHKMGBT-AATRIKPKSA-N 350.275 3.768 0 1 FHAF N=C(N)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587075209 FUWZLPZUSBRTGO-QGZVFWFLSA-N 353.857 3.837 0 1 FHAF O=C1c2ccccc2-c2cc(CC3(C(=O)O)CCC3)nc3ccc(O)c1c23 586990931 OKPWJFKAFREBMY-UHFFFAOYSA-N 359.381 3.949 0 1 FHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(F)c(F)c2[nH]1 586974927 YHYZFBFAUQXILN-HNNXBMFYSA-N 361.417 3.952 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(O)c(OCC4CC4)c1)[C@@H](C2)C3=O 587444035 RDYMTDCWUPFUPW-YCRPNKLZSA-N 352.386 3.678 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3OC(C)(C)O[C@H]32)N1 587839515 SSHUMFGTMAGFPA-LQBRZBCFSA-N 370.262 3.632 0 1 FHAF COC(=O)C[C@@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587806029 IJQYIIFZPLYWJA-QGHHPUGFSA-N 370.262 3.681 0 1 FHAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587586753 JLOXWEZWDYSSIM-NQIIRXRSSA-N 363.369 3.889 0 1 FHAF COCc1ccc(C(=O)N2CCC[C@H](N(C)CCc3ccccc3)C2)s1 11816244 FCJBJQPMWUMYIL-SFHVURJKSA-N 372.534 3.674 0 3 FHAF Cc1cccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1 15779154 WLIMUJYTSPHFMH-UHFFFAOYSA-N 374.444 3.816 0 1 FHAF CC1=NC(=O)N[C@H](c2cccc(O)c2)[C@@H]1C(=O)OC1CCCCCCC1 169690180 FQVVYTYPDLOXMH-QZTJIDSGSA-N 358.438 3.890 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(N)s3)cc2)C[C@@H]2CC[C@H]1N2C 168407410 RHXJIBSDVXHTMJ-MKSNKDDYSA-N 356.491 3.737 0 1 FHAF COC(=O)c1ccc([C@H](O)CCN2CC=C(c3ccc(F)cc3)CC2)cc1 1857629636 SLGDJUHRNOXWQL-OAQYLSRUSA-N 369.436 3.825 0 1 FHAF CCN(C(=O)c1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C)C1CCCCC1 1857646364 DKRMGTXAFIWBPE-OAHLLOKOSA-N 369.509 3.815 0 1 FHAF C[C@@]1(C(=O)NCCc2ccc(F)cc2)CON=C1c1cccc(Cl)c1 772114 RVRPYUGIGSYOPI-LJQANCHMSA-N 360.816 3.579 0 1 FHAF COc1cc(C)nc(N2CCC[C@H](C(=O)Nc3cccc(Cl)c3C)C2)n1 1344092 YAJMLFPBCSAPPU-AWEZNQCLSA-N 374.872 3.611 0 3 FHAF Cc1nnc2c(NC3CCN(Cc4ccccc4)CC3)nc3ccccc3n12 6781800 SBYFZSDUDIAMTP-UHFFFAOYSA-N 372.476 3.662 0 1 FHAF CC(=O)c1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1F 103261211 BPWGWFIVHLKPHZ-IBGZPJMESA-N 351.381 3.631 0 1 FHAF CC(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26393050 VOEVWWDYQIDNFO-OEQVYJHJSA-N 374.569 3.991 0 1 FHAF CC(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26393043 VOEVWWDYQIDNFO-PKRXZDKWSA-N 374.569 3.991 0 1 FHAF CN(C)CCSc1nc2ccccc2c(C(N)=O)c1-c1ccccc1 26380329 WNFFWPYNSVSGCR-UHFFFAOYSA-N 351.475 3.654 0 1 FHAF CC=C(C)C(=O)O[C@@H]1Cc2c(cc3oc(C)cc(=O)c3c2OC)OC1(C)C 2356679355 QNOQNIIIQHXDAV-QGZVFWFLSA-N 372.417 3.702 0 1 FHAF COc1cc([C@H](O)c2nc(-c3cccc(C(=O)O)c3)cs2)ccc1F 61905415 XOTTXEUVIXNSAD-INIZCTEOSA-N 359.378 3.738 0 3 FHAF CC(=O)Nc1cccc(C(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)c1 72113212 GNIULPXTUKJQQN-GOSISDBHSA-N 358.825 3.749 0 1 FHAF CN(C)C(=O)c1ccc(Nc2cc3c(cn2)nc(-c2ccco2)n3C)cc1 74388717 NJIXIZLGTBNSMI-UHFFFAOYSA-N 361.405 3.674 0 1 FHAF O=C1c2cc(-c3ccc(Cl)cc3)nn2CCN1Cc1ccc(Cl)nc1 40836567 TYGMNSZNLJIUFX-UHFFFAOYSA-N 373.243 3.908 0 1 FHAF C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(N(C)C)c1)c1ccc(F)cc1 223727061 YDXHQXWWAIVGGE-CYBMUJFWSA-N 352.413 3.773 0 1 FHAF COC(=O)[C@]1(C)CCC[C@]23[C@@H]4[C@@H](CC[C@@H]12)[C@@H](C)c1ccoc1[C@@H]4O[C@H]3O 238789276 QHXCPQZUMLSNGR-VWWMZSCOSA-N 360.450 3.778 0 1 FHAF CCOc1cc2c(cc1OC)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2 95566198 FJTOHAVQIXFCON-UHFFFAOYSA-N 366.437 3.775 0 1 FHAF CC(=O)c1ccc([C@@H]2C=C[C@@H](Oc3ccc(F)cc3C)[C@H](CO)O2)cc1 253986589 ORMRPUROBPYGCF-HBMCJLEFSA-N 356.393 3.773 0 1 FHAF COc1ccc2c(c1)C(OC(C)C)=C(C(=O)Nc1ccccc1)[S@]2=O 253791925 UGWVUANDYNXEJD-VWLOTQADSA-N 357.431 3.549 0 1 FHAF CCCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21 299821230 BWRCKQFJHWQYMH-UHFFFAOYSA-N 355.482 3.895 0 1 FHAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc([C@H]3CCCO3)c2[nH]1 299838390 QIDZULSXQRFQON-MRXNPFEDSA-N 351.410 3.618 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 587398392 GCDHJWBUQSRHRV-JORQVXCQSA-N 372.465 3.558 0 1 FHAF CCCCOc1cc2nc(C[C@H](C)N(C)C)[nH]c2cc1Br 587192515 UYILRCDARNQXLI-NSHDSACASA-N 354.292 3.997 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C3CC3)[nH]n2)N1 587799034 VVJSRPAZNNWBCD-PWJLMRLQSA-N 350.235 3.812 0 1 FHAF N[C@H](Cc1nc2cc(F)cc(F)c2[nH]1)c1ccc(Br)cc1 586996340 FRNUUWSEFCJVDA-GFCCVEGCSA-N 352.182 3.846 0 1 FHAF O=C(O)c1ccc(-c2cc(-c3nc4cncnc4[nH]3)ccc2F)cc1F 587138500 LGMLJGIULLTJSN-UHFFFAOYSA-N 352.300 3.663 0 1 FHAF Cc1ncc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C)c1Br 586979261 UUNPKHRJESAASI-UHFFFAOYSA-N 364.174 3.842 0 1 FHAF O=C(O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587607285 HKCSMMQFYUNWNY-FXAWDEMLSA-N 362.337 3.793 0 1 FHAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc[nH]c(=N)c2[nH]1 587121840 NCGHRWIMIGUGQU-UHFFFAOYSA-N 359.311 3.793 0 1 FHAF CC[C@]1([C@H]2CCCNC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795837 OVQOBPMAELWVMZ-BTJLNZGRSA-N 355.295 3.727 0 1 FHAF C[C@@]1(c2ncc(F)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340212 XJRKUYBIBNTVIP-FXAWDEMLSA-N 368.339 3.735 0 1 FHAF CCOc1ccc(O)n1-c1nn(COc2ccccc2F)cc1Cl 587946327 URJJVAAPNYBUJT-UHFFFAOYSA-N 351.765 3.607 0 1 FHAF O=C(Nc1nc(Cc2nc3cccc(F)c3[nH]2)cs1)c1cccc(O)c1 587019316 KAZBMZCJFNRCAB-UHFFFAOYSA-N 368.393 3.707 0 1 FHAF COc1cccc(OCc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)c1 587781324 SXLTZKOIMQIATE-UHFFFAOYSA-N 373.412 3.916 0 1 FHAF O=C(N[C@@H](c1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1)c1ccccc1 587218225 GYXPIMXGOOSXJW-SFHVURJKSA-N 371.396 3.781 0 1 FHAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 587050960 NVAHGECGKWAUDD-UHFFFAOYSA-N 350.209 3.873 0 1 FHAF CC(C)Cc1nn(-c2nccs2)cc1C(=O)NCc1ccc(F)cc1 1772577486 IVAIWFVPBZRVSH-UHFFFAOYSA-N 358.442 3.596 0 1 FHAF Cc1ccc(CNC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)o1 1772603274 CBBLYOQJDPCTMR-SHTZXODSSA-N 364.453 3.571 0 1 FHAF Cc1cccc(C)c1OCc1cc(C(=O)N(C)CCc2ccccn2)no1 12460114 KIYWZDLMLLOERD-UHFFFAOYSA-N 365.433 3.580 0 3 FHAF COc1ccc([C@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2=O)c(O)c1 13416217 LOENFUAFIZVSTM-MRXNPFEDSA-N 352.386 3.944 0 1 FHAF biogenic,in-vitro O=c1[nH]ccn1CC1(c2ccc(OC(F)F)c(OC3CCCC3)c2)CC1 13438907 MIWHWBZDGOPRTH-UHFFFAOYSA-N 364.392 3.831 0 1 FHAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccccc1)CCC3 13837589 MLXUDSNEEBJDLN-KRWDZBQOSA-N 350.418 3.514 0 1 FHAF O=C(c1cc(F)ccc1F)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 14947870 CRRBBAXRFMHDCH-HNNXBMFYSA-N 373.399 3.855 0 1 FHAF O[C@H](c1ncc(-c2ccccn2)o1)[C@H](O)CCCCCc1ccccc1 14980157 XZUPDMGYFHCFFH-QUCCMNQESA-N 352.434 3.934 0 1 FHAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Br)s1 169371994 AZGJPBSOUXXLFR-NOLNXHPJSA-N 368.296 3.550 0 1 FHAF CN1CCCC[C@@]12CCCN(C(=O)c1cccc(Br)c1)C2 1857579011 NVONPXVWJHNPKK-KRWDZBQOSA-N 351.288 3.540 0 1 FHAF Cc1cc(-c2nc3ccccc3n2CCC2CCOCC2)cn(C)c1=O 1857597716 GJFMDYJSPKGTHH-UHFFFAOYSA-N 351.450 3.527 0 1 FHAF CCCCN(Cc1ccc(NC(=O)[C@H](C)N)cc1)C(=O)Nc1ccccc1 1857632140 WRPBUQYMPVLFEN-INIZCTEOSA-N 368.481 3.807 0 1 FHAF CCOc1ccc2c(c1)s/c(=N\C(=O)Nc1ccc(OC)cc1)n2C 3892385 JQXDRMPJGHPXOM-ZZEZOPTASA-N 357.435 3.780 0 1 FHAF COc1cc(NC(=O)c2ccc(-n3cnc4cccnc43)cc2)cc(OC)c1 6900612 RNUAGHKJKNBQPB-UHFFFAOYSA-N 374.400 3.690 0 1 FHAF CO[C@H]1c2ccc3occc3c2O[C@]1(Cc1ccc2c(c1)OCO2)OC 13384137 UJWUVLDBYXPHQN-PMACEKPBSA-N 354.358 3.827 0 1 FHAF biogenic CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21 13455225 QSPHJSYDRTUERE-GHMZBOCLSA-N 361.225 3.828 0 1 FHAF O=C1Cc2c([nH]c3ccccc23)-c2cc(I)ccc2N1 13532052 ISVUJGXTZKJOGX-UHFFFAOYSA-N 374.181 3.934 0 1 FHAF CCCNC[C@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 26014725 MOAJWVAXQNJPPR-HNNXBMFYSA-N 357.479 3.545 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@@H]3CC[C@@H]12 26395848 YJVVSONFMRLWTH-WZWDNLGPSA-N 359.510 3.926 0 1 FHAF CN(Cc1cccc2ccccc12)C(=O)[C@@H](O)[C@H](N)C1CCCCCCC1 27986351 ILNZKSKVPVFRCQ-YADHBBJMSA-N 368.521 3.847 0 1 FHAF CN1CCC([C@@H]2CNc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 28392145 ZOXWMXLYVITJIL-IBGZPJMESA-N 353.441 3.929 0 1 FHAF CC1(C)CCc2cc(C(=O)Nc3c(O)c4ccccc4oc3=O)ccc2O1 29125700 BFMALSTXXOIFOX-UHFFFAOYSA-N 365.385 3.855 0 1 FHAF COc1ccc(Cl)cc1[C@@]1(O)C(=O)Nc2ccc(C(F)(F)F)cc21 29315027 MRNDORVENRYOCP-OAHLLOKOSA-N 357.715 3.555 0 1 FHAF c1cc2c(cc1OCCCN1CCCCC1)CCN(C[C@@H]1CCCO1)CC2 38825716 NXSLQNZNLLDVBI-QHCPKHFHSA-N 372.553 3.521 0 1 FHAF O=C(Nc1nc2cnccc2[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O 45299624 LKCMNJFQKGVXII-UHFFFAOYSA-N 370.372 3.520 0 1 FHAF O=C1CCCN1Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 66102600 PDJIWKMJOGMRFV-UHFFFAOYSA-N 363.383 3.892 0 1 FHAF COc1cc(OC)cc(Oc2cc(N3CCc4ccccc4C3)ncn2)c1 82067440 KXVHVYJARMCTNW-UHFFFAOYSA-N 363.417 3.849 0 1 FHAF Cc1ccccc1-c1nc(N2CCOCC2)ncc1-c1nc(C)c(C)o1 82177414 NSLCMRFHKSLHLK-UHFFFAOYSA-N 350.422 3.560 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Br)c2)C[C@@H]2CC[C@@H]1N2C 169349695 CLDUXOXUODATIA-JLUCKKNBSA-N 372.690 3.842 0 1 FHAF CN(C)CCN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@@H]12 169356370 TZYDTPVLMWSHME-PCKUUMOXSA-N 374.569 3.658 0 1 FHAF CC(C)=CCOc1ccc([C@@H](O)CNC(=O)/C=C/c2ccccc2)cc1 238760060 AQBWTILJYRVPPH-LNYGYFNRSA-N 351.446 3.895 0 1 FHAF CN(C)Cc1cc2cc(NC(=O)c3ccccc3Br)cnc2[nH]1 299828493 IOBWMLWMBLMVPR-UHFFFAOYSA-N 373.254 3.639 0 1 FHAF CCCCc1nc2nc(N(C)[C@@H](C)[C@@H](O)c3ccccc3)ccc2nc1O 299874079 AUTOBFPFYKMQRP-IFXJQAMLSA-N 366.465 3.631 0 1 FHAF COc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1OC 587003546 LSLBWEGXDYXCIZ-UHFFFAOYSA-N 373.210 3.886 0 1 FHAF O=C1COc2cc3[nH]c(-c4cnc(Cc5ccccc5)s4)nc3cc2N1 587022003 SMXJEGYOPLWIRZ-UHFFFAOYSA-N 362.414 3.608 0 1 FHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587094227 NLRJUPLZRVVDGN-ZCFIWIBFSA-N 355.238 3.591 0 1 FHAF CN1CC[C@](C)(O)[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587104438 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N=c1[nH]c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2o1 587573394 BMYOZCITYJZECV-PXNSSMCTSA-N 374.352 3.649 0 1 FHAF Nc1ccc2c(c1)[C@]1(C=CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581231 UYABJIYWFQMCFH-KNQAVFIVSA-N 373.364 3.738 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1COc2ccccc2C1 587619839 ZUTOADBWFUCODG-ZNRXUEPQSA-N 374.392 3.974 0 1 FHAF Cc1cnn(CCF)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587712557 BDXUWTBRBRBYNW-BMIGLBTASA-N 370.241 3.686 0 1 FHAF CCOC(=O)[C@@H]1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587792798 CZLFXKYNXHUYJC-CZIZLABSSA-N 370.262 3.681 0 1 FHAF Cc1sc(=N)[nH]c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587854780 UAJGZQHNEWEWBO-KWKYVRJSSA-N 370.291 3.563 0 1 FHAF FC(F)(F)c1ncc2nc(COC34CC5CC(CC(C5)C3)C4)nc-2[nH]1 587950543 MREHCSRZYWWVNF-UHFFFAOYSA-N 352.360 3.809 0 1 FHAF COc1ccc(COc2ccc(OCCOCCOCCF)cc2)cc1 653707404 HTVHRWBQWAJYIS-UHFFFAOYSA-N 364.413 3.656 0 1 FHAF COCCN1[C@H]2CC[C@H]1CC1(C2)NCCc2c(Cl)cc(Cl)cc21 963127111 ZEWWFPGJBULMPR-KBPBESRZSA-N 355.309 3.608 0 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366.505 3.619 0 1 FHAF C=C1C=C(C(F)F)n2ncc(C(=O)NCCc3ccc(Cl)cc3)c2N1 103112646 FZMDQTDZGTULQW-UHFFFAOYSA-N 364.783 3.554 0 1 FHAF O=C1NC[C@H](c2cc(F)cc(C(F)(F)F)c2)N1c1ccc2[nH]cnc2c1 116194342 SCIAZXQFLMVDHZ-OAHLLOKOSA-N 364.302 3.992 0 1 FHAF Cc1nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)nc(C)c1C 28647383 FVBYWUYQYWAKNS-OAHLLOKOSA-N 351.834 3.973 0 1 FHAF OCCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3c(Cl)cccc32)CC1 22937790 ADWYWJGQPNBBNY-UYAOXDASSA-N 374.887 3.666 0 1 FHAF CC1=C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@H]1O 2356706217 XUBRQXOGVTUWAS-MGFHSNFOSA-N 358.478 3.726 0 1 FHAF COc1ccc(C[C@@H](N)c2csc(NC(=O)c3ccccc3)n2)cc1 61897994 BMXZQMONHRITLV-MRXNPFEDSA-N 353.447 3.647 0 3 FHAF COc1cccc(S(=O)(=O)c2ccc3c4c(oc3c2)C(C)(C)NCC4)c1 73221584 LGIMMMWXZRZDHK-UHFFFAOYSA-N 371.458 3.655 0 1 FHAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1cccs1 1911580537 PCHSDJRKGJKOAG-ZDUSSCGKSA-N 369.273 3.867 0 1 FHAF COc1cc(NC(=O)[C@@H]2COc3ccc(C)cc3C2)ccc1-c1cn[nH]c1 40919122 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587655342 CNVCATZXUMYTHK-UHFFFAOYSA-N 353.303 3.865 0 1 FHAF CCOc1cc(-n2c(O)cc(-c3ccco3)c2O)c(Cl)cc1C(=O)O 587941449 OXFSGUKXIJJMHC-UHFFFAOYSA-N 363.753 3.899 0 1 FHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCCC1 587392795 DGZPXUBRBQJVCH-LJQANCHMSA-N 352.434 3.893 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3ccc(C)cc31)CC2=O 587494146 XJMKRRCHAUDRKD-OAQYLSRUSA-N 352.386 3.823 0 1 FHAF CO[C@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 587953088 ZGKKUTFBLAYXPT-VOMCLLRMSA-N 368.380 3.962 0 1 FHAF CCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587666826 FTMURVZMYLMKLL-UHFFFAOYSA-N 365.433 3.666 0 1 FHAF CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(C)cc1 587206455 MULXPDTUZBWXNB-AWEZNQCLSA-N 362.355 3.705 0 1 FHAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CC[C@H](C1)N2C(=O)OCC 587487813 ODJHYBFIHRHPBJ-UDQVXKKJSA-N 373.449 3.832 0 1 FHAF OCCCCCCCCCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 586894741 SLPZHMZKZCSAJT-UHFFFAOYSA-N 356.474 3.584 0 1 FHAF COc1ccc(O)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594626 OZGOLSJANQFIAA-WIYYLYMNSA-N 364.353 3.809 0 1 FHAF O=C(Cc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 13679926 YYTKBOHDXKOQOC-UHFFFAOYSA-N 362.517 3.715 0 1 FHAF Cc1ccccc1C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12 13742540 OOYVTPFUULSOPE-UHFFFAOYSA-N 362.473 3.821 0 1 FHAF O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(C2CCOCC2)C1 15073874 FVKAIFNJIJHBMV-INIZCTEOSA-N 371.506 3.640 0 1 FHAF Nc1nc2ccc(C3CC3)nc2n1C[C@@H](O)c1ccc(Cl)cc1Cl 169351121 PKGDBLHVLCHZME-OAHLLOKOSA-N 363.248 3.931 0 1 FHAF CCOC(=O)C1=C(c2ccc(F)cc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1CC 169721223 CBTSGEJMBLQMDM-JKSUJKDBSA-N 361.413 3.780 0 1 FHAF CNC(=O)Nc1cc(Oc2cncc(C)c2)c([C@H]2C[C@@H](C(C)(C)O)C2)cn1 1857620013 WAXBYAXGGJCVAK-OKILXGFUSA-N 370.453 3.593 0 1 FHAF O=C1CN(C(=O)c2ccco2)[C@H](c2ccccc2)c2cc(F)ccc2N1 2456720 HVFPJUOUOUTMLV-LJQANCHMSA-N 350.349 3.603 0 1 FHAF COc1ccc(OCCc2ccc(Br)cc2)cc1CCN 26974374 SBJQOCFOTJYSGU-UHFFFAOYSA-N 350.256 3.580 0 1 FHAF CC(C)CC(=O)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 115655502 YBBSVRKLHHFISQ-OAQYLSRUSA-N 368.864 3.885 0 1 FHAF c1cnc2ccc(OCCCN3CCC(Cc4c[nH]cn4)CC3)cc2c1 28569761 RLRWSHZQDLRAMQ-UHFFFAOYSA-N 350.466 3.682 0 1 FHAF Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)c1 101366358 BFTJQHWCWUZADH-CEQLMSFQSA-N 350.462 3.668 0 1 FHAF O=c1cc(N2CCOCC2)oc2c(-c3ccc4[nH]ccc4c3)csc12 101661812 WONXSEZUQLLYER-UHFFFAOYSA-N 352.415 3.839 0 1 FHAF CC1(C)[C@H]2CC[C@@]1(C)[C@@](C)(NC(=O)[C@@H]1CC(=O)N(C3CCCCC3)C1)C2 101063390 UCFMNAYGTGRZRO-ZXJYCPGTSA-N 360.542 3.889 0 1 FHAF CC[C@H]1CC[C@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@@H]2C1 28524134 GFCJYZOTVBIKKT-NORZTCDRSA-N 370.474 3.976 0 1 FHAF c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)nc1 26438690 NAOKADXNRCMONT-OAQYLSRUSA-N 374.492 3.721 0 3 FHAF CC[C@H](c1ccc(O)cc1)[C@@H](C(=O)OCCCN1CC1)c1ccc(O)cc1 27986137 RFNVFHRRRTVJPT-RTWAWAEBSA-N 369.461 3.624 0 1 FHAF CC(C)Oc1ccc([C@](O)(c2cccnc2)c2cnc(Cl)nc2)cc1 72102681 NXBLIGLFMRGDMZ-IBGZPJMESA-N 355.825 3.596 0 1 FHAF CNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3cccc4ccccc34)c2)n1 89469228 MQEKHBNITKOIGV-UHFFFAOYSA-N 371.444 3.905 0 1 FHAF c1ccc2cc(OCCO[C@@H]3CCCC[C@@H]3N3CCOCC3)ccc2c1 197413803 GUACQORHQAFRFP-FCHUYYIVSA-N 355.478 3.879 0 1 FHAF CC[C@@H](C)Oc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1 146658739 VEICCNMVJHBRAF-OAHLLOKOSA-N 367.445 3.524 0 1 FHAF CCOC(=O)[C@H](CC)Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1 653785018 UILFXRVULPWIAC-QGZVFWFLSA-N 357.425 3.888 0 1 FHAF NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330543 BXAVTIJQYGRSJQ-IRLDBZIGSA-N 363.388 3.744 0 1 FHAF O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccc(NC(=O)C2CC2)cc1 587213441 SBVVOEUSKLLMKP-UHFFFAOYSA-N 371.440 3.863 0 1 FHAF CC[C@]1(c2c[nH]ccc2=N)N[C@H](C)Cc2cc(Br)c(F)cc21 587746368 MUBQGCLNKISTER-QGHHPUGFSA-N 364.262 3.584 0 1 FHAF COc1ccc(/C=C\Cc2nc3cc(Br)cnc3[nH]2)c(OC)c1 587928688 HHFQDIUYRWSOLM-ARJAWSKDSA-N 374.238 3.994 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c4ccccc4c1=N)[C@@H](C2)C3=O 587434446 VLXFYZOTMPTPOZ-NYHFZMIOSA-N 360.413 3.627 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1C 587867407 DDAXIAHHAJYFBL-UHFFFAOYSA-N 361.323 3.969 0 1 FHAF CN(C)c1ncccc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 587195266 FTMZDCVQCGJEPH-UHFFFAOYSA-N 357.286 3.740 0 1 FHAF Fc1cc(Br)cnc1-c1nc2c(Br)ccnc2[nH]1 587155780 RXCXABNYJVVIHC-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF COc1cc(O)cc(-c2cccc(-c3nc4cccc(C(N)=O)c4[nH]3)c2)c1 587931468 JLASZIWOXGZNIW-UHFFFAOYSA-N 359.385 3.710 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C1)O2 587399651 MCXAUPXCXQUZJX-ZIAGYGMSSA-N 372.465 3.558 0 1 FHAF CC(C)c1nn(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583016 SSNSSASKHDXXNZ-DYESRHJHSA-N 364.401 3.952 0 1 FHAF CC(C)N1CCC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587771096 VGSMKEBBWDVHIO-SJCJKPOMSA-N 355.295 3.822 0 1 FHAF Nc1cncc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587253712 HCGARVPQAKWNTJ-UHFFFAOYSA-N 373.132 3.868 0 1 FHAF O=Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C=O)c1O 587534595 WOCTZNFSMOLQSQ-LJQANCHMSA-N 350.370 3.603 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(Cl)cc21 587462599 PNEWUFPLSDYTRS-IBGZPJMESA-N 357.793 3.811 0 1 FHAF FC1(F)Oc2cc3nc(C[C@H]4OCCc5ccsc54)[nH]c3cc2O1 587036008 YQKZVBJTGWSKDN-CYBMUJFWSA-N 350.346 3.802 0 1 FHAF CCN(C)C(=O)Oc1cccc(NC(=O)/C=C/c2ccc(O)c(OC)c2)c1 1772611481 ZJQXQKVXPHERBL-PKNBQFBNSA-N 370.405 3.503 0 1 FHAF CC(C)C[C@H]1CCCN1c1ccc(F)c(-n2c(O)nc3ncccc32)n1 1772596722 IOMOSDNYRIUCCZ-CYBMUJFWSA-N 355.417 3.675 0 1 FHAF COc1cc(O)c(Br)c2nc(-c3ccc(O)c(F)c3)oc12 13583739 YLCLIYJGONIIST-UHFFFAOYSA-N 354.131 3.816 0 1 FHAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(O)C(N)=O)cc1 13603961 OFTUYEAFNIGXTL-UHFFFAOYSA-N 367.405 3.541 0 1 FHAF OCCCNc1cccc(-c2cncc(Nc3cccc(Cl)c3)n2)n1 13612174 JQBYMWIDLDGUNH-UHFFFAOYSA-N 355.829 3.730 0 1 FHAF CCCCc1nccc(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13744568 PJZBQLZAHUCUQQ-UHFFFAOYSA-N 362.429 3.999 0 1 FHAF CC(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169370103 VOEVWWDYQIDNFO-AHSSOFPSSA-N 374.569 3.991 0 1 FHAF CC(C)c1ccc(CO[C@H]2CNC[C@@H]2Nc2nc3ccc(F)cc3[nH]2)cc1 206740134 MMIOYSOVUZIZEB-PMACEKPBSA-N 368.456 3.795 0 1 FHAF Cc1cccc(C(=O)N[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)c1 205709177 PVIHWTPWQSMZJM-ITBLURSFSA-N 354.494 3.685 0 3 FHAF C[C@H](c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncccc2c1 1857647265 FIROGCUAKZZTOA-ZDUSSCGKSA-N 373.391 3.963 0 1 FHAF C[C@@H]1CCCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857762566 NLRANIOVJBCKFV-CZUORRHYSA-N 372.415 3.692 0 1 FHAF C=C1CC[C@@H]2CCC3=C(C(=O)[C@@H](C(C)=C[C@@H](OC(C)=O)C1)[C@H]3O)C2(C)C 253674080 DRTGEVIELDJQLH-JMVFIXPQSA-N 358.478 3.897 0 1 FHAF CC(C)NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 13122993 ZSYOYALYVPMOQR-CMPLNLGQSA-N 358.389 3.743 0 1 FHAF CC(C)c1c2ncn(Cc3ccccc3)c2nc(=O)n1Cc1ccccc1 27630843 SAIYRYPIVSLCFN-UHFFFAOYSA-N 358.445 3.813 0 1 FHAF COCCCNC(=O)c1ccccc1Nc1ccnc(C(F)(F)F)c1 28384324 YSKRVYZDKXIXOW-UHFFFAOYSA-N 353.344 3.610 0 1 FHAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1ccccc1 29478117 LZMJPLNFPWMYJE-GOSISDBHSA-N 373.493 3.549 0 1 FHAF O=C(O)CCC1CCN(Cc2ccc3c(c2)Nc2nccnc2S3)CC1 34554488 ZZSWVFLELIDCDA-UHFFFAOYSA-N 370.478 3.762 0 1 FHAF COc1cccc2c1CCC[C@H]2CCCNCC(=O)NC1CCCCC1 45298490 FPZFBYULDIDYBF-KRWDZBQOSA-N 358.526 3.934 0 1 FHAF O=C1O[C@@H](COc2ccc(O)cc2)C=C1c1ccc(Br)cc1 45370158 MFPJSCQKTCMUCT-OAHLLOKOSA-N 361.191 3.543 0 1 FHAF O=C(Nc1ccncc1)C(=O)c1cn(-c2ccccc2F)c2ccccc12 45385513 XRDLHYJTESPYFV-UHFFFAOYSA-N 359.360 3.986 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2ncccc2c1=O 49069650 ZLGFFOIACZAPJN-UHFFFAOYSA-N 356.381 3.810 0 1 FHAF COc1ccc(NC(=O)c2csc(Nc3ccc(C)cn3)n2)cc1OC 66077332 ZFASBVZQNPHRHZ-UHFFFAOYSA-N 370.434 3.860 0 1 FHAF CCOC(=O)[C@H]1[C@@H](C(=O)O)C2(C)c3ccccc3C1(C)c1ccccc12 68572272 GZXZKFKOUWYUNH-PDYGVTHMSA-N 350.414 3.506 0 1 FHAF biogenic O[C@@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1nc[nH]n1 72103911 SBYRVULCUOUHQX-OAHLLOKOSA-N 353.731 3.761 0 1 FHAF COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 72110126 MLQLUFQBFMFXJO-SZNDQCEHSA-N 367.445 3.514 0 1 FHAF C[C@H]1Oc2ccc(Br)cc2C=C1/C=C1\SC(=O)N(C)C1=O 95596649 LWLWXUOANPLPNI-CWWTZMIASA-N 366.236 3.823 0 1 FHAF CCCSc1nc(C)ccc1C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 101550174 UTOVQHGEYUJTPN-QDZYNAETSA-N 360.523 3.562 0 1 FHAF COC(=O)c1ccc2c(c1)CO[C@@]2(CCCN(C)C)c1ccc(F)cc1 103245896 XGZYQVJFZBQTBE-NRFANRHFSA-N 357.425 3.728 0 1 FHAF O=C(OCc1cn(-c2ccnc3cc(Cl)ccc23)nn1)c1ccccc1 103270070 LHMCPNMFBHVWFB-UHFFFAOYSA-N 364.792 3.826 0 1 FHAF COc1cccn2nc(/C=C/c3nc(-c4cscc4C)cn3C)nc12 117867926 YCWLNLOGGOHBTB-VOTSOKGWSA-N 351.435 3.679 0 1 FHAF O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1ccc(Cl)cc1 149879758 WWVCGJSPFKPNDA-MRXNPFEDSA-N 351.233 3.907 0 1 FHAF O=C(NCc1ccccn1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167520669 OHELAZNOKFKUBR-UHFFFAOYSA-N 372.428 3.559 0 1 FHAF COC(=O)CCc1cc(NC(=O)/C=C/C=C/CCC(C)C)c(O)cc1O 169330546 GJQVSSLADSEGDL-NNMZAIBHSA-N 361.438 3.691 0 1 FHAF COc1cnccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 169340327 XXAADVZIHKBVMD-UHFFFAOYSA-N 361.401 3.903 0 1 FHAF Cc1cc(Br)ccc1OCc1nc2cc3nc(O)[nH]c3cc2[nH]1 586980661 CLXWAFBHAWSBNK-UHFFFAOYSA-N 373.210 3.795 0 1 FHAF Cc1ccc(-c2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c(C)s2)cc1 587012122 GOOOFWJRWXRESF-UHFFFAOYSA-N 373.445 3.946 0 1 FHAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cnncc2[nH]1 587035752 ZHVQYTGIUNNQKS-LBPRGKRZSA-N 351.435 3.839 0 1 FHAF COc1ccc(-c2ccc(-c3nc4c(O)ncnc4[nH]3)c(F)c2)c(F)c1 587150231 BJETZHUWIJYTAS-UHFFFAOYSA-N 354.316 3.679 0 1 FHAF CN(C)CCOc1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 587259222 ZEABTXOWVJYXQW-FQEVSTJZSA-N 374.488 3.899 0 1 FHAF NC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587373794 JFAZEESUHXQTMV-AZUAARDMSA-N 369.417 3.806 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)ccc1N)O2 587376503 IXUVIKWCXMOCNG-QGZVFWFLSA-N 361.239 3.803 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cccn4)c(F)c1)[C@@H](C2)C3=O 587425335 BWUDEVAUVJOCHB-XOBRGWDASA-N 350.349 3.509 0 1 FHAF CCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439384 AFPPDEBATUCGCR-WHSLLNHNSA-N 360.450 3.961 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3[nH]c(Cl)ncc1-3)CC2=O 587460276 HQAPTDWZPIXIHN-OAHLLOKOSA-N 357.797 3.928 0 1 FHAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)n1ccnc12 587515146 LGYAYUDTMYIKEF-HSZRJFAPSA-N 370.408 3.673 0 1 FHAF CC[C@]1(C2CCNCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792210 HEBPHEAIJZTKTG-APPDUMDISA-N 355.295 3.727 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](O)C(C)(C)C2)N1 587833276 MRHDGVNXOWUYMZ-PHEKWQANSA-N 356.279 3.889 0 1 FHAF CCc1cc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)ccn1 587924006 YGQBCXXMWZFCAD-UHFFFAOYSA-N 373.503 3.830 0 1 FHAF COc1ccc2c(c1)[C@H](c1cc(OC)c(OC)c(OC)c1)N[C@H]1CC[C@@H]21 962990878 CHFKUMLJAMFOFQ-KNBMTAEXSA-N 355.434 3.660 0 1 FHAF Cn1ncc(Cl)c1[C@]1(C)c2ccsc2CCN1Cc1cccnc1 963002324 ZKCLZPLZGLVRPX-SFHVURJKSA-N 358.898 3.852 0 1 FHAF Cc1c(O)ccc2c1C1(CCC(OC3CCCCC3)CC1)N[C@H](C(=O)O)C2 963526612 OKZVXBUTTRXXFH-DKTYTTGXSA-N 373.493 3.787 0 1 FHAF CCN(CC)CCNC(=O)c1cc(-c2c(C)noc2C)nc2ccccc12 1242104104 OPJMJNXBZBJNBH-UHFFFAOYSA-N 366.465 3.578 0 1 FHAF CC1CCN(C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CC1 1857588048 IDTLOGUPLHJADR-UHFFFAOYSA-N 364.555 3.695 0 1 FHAF CC(C)N1CC[C@@H](NC(=O)c2c(Cl)cccc2Cl)C(F)(F)C1 1857605847 DMFAKASYMLTWTP-GFCCVEGCSA-N 351.224 3.841 0 1 FHAF O[C@@H](CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 1857749780 SSXHQUYKIXWDHO-IBGZPJMESA-N 355.409 3.767 0 1 FHAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@@H]1O 2356345348 ODXIHYQVXXYLQK-GNBUJSLZSA-N 374.518 3.626 0 1 FHAF CC[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2C[C@H](OC)C2=C[C@@H](O)[C@H]3C[C@]21C(=O)O3 2356831022 JLKFAPDEQPJKJG-DYYMAGSVSA-N 358.478 3.541 0 1 FHAF COc1cccc(CN2C(=O)COCc3cc(-c4cccnc4)ccc32)c1 74374770 PDXHSJWMSWTDJI-UHFFFAOYSA-N 360.413 3.821 0 3 FHAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)(C)CO)c1 775899 MNBYATUWVHAKFH-UHFFFAOYSA-N 374.481 3.786 0 1 FHAF CN(C)Cc1ccc(COC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)o1 13602054 WVGQIZRRTTVNTR-JOCHJYFZSA-N 371.477 3.853 0 1 FHAF O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccsc1 13674425 JKZSORGVLCRTAY-PMACEKPBSA-N 368.502 3.926 0 1 FHAF Nc1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1 14957464 OACNMGJHMSINIK-IBGZPJMESA-N 358.445 3.761 0 1 FHAF 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[C@H]3O[C@@]312 27524898 QONQRTHLHBTMGP-PXMGSVGHSA-N 372.505 3.621 0 1 FHAF O=c1[nH]c2c(-c3ccccc3Cl)ncnc2n1-c1ccc(F)cc1F 28644849 MTVHQMYRXOUMKP-UHFFFAOYSA-N 358.735 3.707 0 1 FHAF O=C1Cc2cnn(-c3ccc(Br)cc3)c2-c2ccccc2N1 28963916 OPRHHFGDHKBWEU-UHFFFAOYSA-N 354.207 3.796 0 1 FHAF Cc1cc(-c2ccc(C(=N)N)cc2)cn2cc(-c3ccc(C(=N)N)cc3)nc12 29124280 HAQDWGJWAVDJIT-UHFFFAOYSA-N 368.444 3.545 0 1 FHAF CC(C)Cc1ccc([C@@H](C)C(=O)CN2C(=O)C[C@H](CC(C)C)C2=O)cc1 29473347 LCEFWIQZFMCGCX-APWZRJJASA-N 357.494 3.979 0 1 FHAF Cc1cc(Nc2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)n[nH]1 35942161 DFYXAPVQNGLJHI-UHFFFAOYSA-N 351.797 3.814 0 1 FHAF Nc1cccc(Nc2ncnc3c2ncn3Cc2ccc(Cl)cc2)c1 40410947 NVFZVJHMPLJQGP-UHFFFAOYSA-N 350.813 3.854 0 1 FHAF CN1Cc2c(NC(=O)CN3CCCCC3)cccc2[C@@H](c2ccccc2)C1 40505777 XBYQSNVYDGQAQP-HXUWFJFHSA-N 363.505 3.688 0 1 FHAF Fc1cccc([C@H](Cc2ccccc2OC(F)F)N2CCNCC2)c1 49035327 BGJYOLBNUMRPNE-KRWDZBQOSA-N 350.384 3.616 0 1 FHAF in-vitro CCN1CCC[C@H](c2c(-c3ccccc3)ncn2Cc2csc(N)n2)C1 65500135 CSVZPXFRQSNGLH-INIZCTEOSA-N 367.522 3.836 0 1 FHAF CNC(=O)C[S@@](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 66077348 HYCJMYSQXYRGGS-QFIPXVFZSA-N 356.274 3.578 0 1 FHAF c1ccc2c(-c3nc(CN4CCC5(CC4)OCCO5)co3)cccc2c1 72185595 ZSBCTZNZCVHDDR-UHFFFAOYSA-N 350.418 3.834 0 1 FHAF Cc1ccc([C@@H](C)Nc2cc(N3CCC[C@@H](C(C)(C)O)C3)ncn2)cc1 82150356 YKGDNQUBYPKJBK-SJLPKXTDSA-N 354.498 3.945 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(OC(C)C)cc2[nH]1)C(C)C 586932099 AAQJCYZUFPQHKL-QGZVFWFLSA-N 367.515 3.767 0 1 FHAF Sc1nc(S)c2nc(-c3ccccc3OCc3cscn3)[nH]c2n1 587029282 MVBWHAOXNBZWSD-UHFFFAOYSA-N 373.488 3.633 0 1 FHAF O=NCc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587190290 MFVNEUHJOIHWAW-UHFFFAOYSA-N 360.377 3.556 0 1 FHAF CCCN1C(=O)[C@@](O)(Cc2cc3c4c(cccc4n2)CC3)c2ccccc21 587211908 JDBMTYLHQICLTL-HSZRJFAPSA-N 358.441 3.520 0 1 FHAF Oc1nc2cc3[nH]c(-c4ccc(CNCc5ccco5)cc4)nc3cc2[nH]1 587231620 CJDUQMOFYTXDJB-UHFFFAOYSA-N 359.389 3.695 0 1 FHAF C[C@]12CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]1O2 587360321 UVYSKPOTFHHREW-AYWYSENESA-N 354.377 3.970 0 1 FHAF O=C1C[C@H](c2cccnc2N2CCOCC2)Oc2c1ccc1c2CCCC1 587519303 YHXUNHVJVRFECN-HXUWFJFHSA-N 364.445 3.504 0 1 FHAF C[C@]1(c2cncc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569865 NAWLVVHWUWRQFD-FXAWDEMLSA-N 351.333 3.803 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccncc2[nH]1 587589437 OQGRWLISWFVLQL-GHTZIAJQSA-N 358.353 3.971 0 1 FHAF COc1cc(C)nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587590635 ZKHVCOJYRXXXRV-WIYYLYMNSA-N 363.369 3.807 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2ccccc12 587593944 JOYDNVADFLNOFC-DYESRHJHSA-N 358.353 3.971 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(CC(F)F)n2)N1 587720316 SJQXGGNOFNQFPL-ANRSDYALSA-N 374.204 3.673 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2CC(=O)O)N1 587827336 KNGNZNWGPXMDIZ-RBIVETJNSA-N 356.235 3.593 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1ccccc1)N([C@H]1CCC[C@@H]1O)CC2 1857538404 XVVWFQRUJUJHLI-IPJJNNNSSA-N 353.462 3.565 0 1 FHAF Cc1nc(-c2ccc3c(c2)OCO3)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1 1857579165 PNVSGLKCKYGCFI-UHFFFAOYSA-N 362.389 3.524 0 1 FHAF CCc1cc(NC(=O)c2cn(C(C)=O)c3ccccc23)cc(C(=O)O)c1 1857746853 DDPYUDRSSKCEBJ-UHFFFAOYSA-N 350.374 3.814 0 1 FHAF C[C@]1(CC(=O)O)[C@H](CC(=O)O)CC[C@@H]2[C@@H]1CC[C@]1(C)[C@@H]2CC[C@]1(C)O 2356377617 GLMFZHFDUVUNOC-GKTUMWJSSA-N 352.471 3.546 0 1 FHAF CC(C)NC(=O)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 866022 ORGDZNBZPDGUAN-ZIAGYGMSSA-N 370.350 3.821 0 1 FHAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccnc1 100704900 MFIFUVDKJRKSEL-CYBMUJFWSA-N 354.435 3.903 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(O)c3)cc2)C[C@@H]2CC[C@H]1N2C 29474729 TTXGYEDMFZIQNY-OYNPSCLESA-N 351.446 3.799 0 1 FHAF CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(Cl)cc1C 29129397 NTOHKBIOUPYUFZ-UHFFFAOYSA-N 354.859 3.532 0 1 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CC4)[C@@H](C2)[C@H]1[C@H](C)[C@@H](C)C(=O)C3 29219155 QKEMXTZZPULBCH-UARICKSISA-N 353.506 3.835 0 1 FHAF O=C(O)c1cn(C2CC2)c2c(Cl)c(N3CCCCC3)c(F)cc2c1=O 26952482 MVXLDPRRAAVKTB-UHFFFAOYSA-N 364.804 3.817 0 1 FHAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3cccc(O)c3)cs2)c1 61927102 FCLJPOJBTIQRDF-GOSISDBHSA-N 354.431 3.750 0 3 FHAF Cc1nc(N)nc2c1cc(-c1ccc(Cl)nc1)c(=O)n2C1CCCC1 117701409 YZDNBLWWOBLXLS-UHFFFAOYSA-N 355.829 3.513 0 1 FHAF c1cc2c(cc1[C@@H]1OC[C@H]3[C@H]1CO[C@H]3c1ccc3c(c1)OCO3)COC2 2356725072 IBRLTXWCVZGFHN-SEONNTABSA-N 352.386 3.521 0 1 FHAF CC[C@H](C)[C@@H]1OC(=O)[C@@H]2C[C@@]3(CC=C(C)C)c4ccccc4N[C@H]3N2C1=O 2356788012 WEQVDRJVVSLJPA-OOCLQOMXSA-N 368.477 3.605 0 1 FHAF O=C(Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12)C1CCCC1 71334012 YIUXEBHDDTWONL-UHFFFAOYSA-N 359.336 3.552 0 1 FHAF COc1cc(O)c(/C=C\C(C)(C)O)c2c1C(=O)C[C@@H](c1ccccc1)O2 71295612 YSYPNKZOQYHUSV-IBSYWUHOSA-N 354.402 3.891 0 1 FHAF in-vitro C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(Br)c1O2 84672586 NJMIHRXETPDQBA-JEIZZZKLSA-N 369.255 3.638 0 1 FHAF CC(=O)Nc1cccc(Oc2cc(N3CCc4ccccc4C3)ncn2)c1 82067442 OPRVFXQXKRLPJL-UHFFFAOYSA-N 360.417 3.790 0 1 FHAF CC[C@@H](C)Oc1ccc2c(c1)[C@]1(N=C(C)C(N)=N1)C1(CCC(OC)CC1)C2 261139385 MTRPAEDXTYGACS-RZOAQAALSA-N 369.509 3.980 0 1 FHAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 299873938 AOBKGJUWHPBGOH-UTRMSSBJSA-N 364.486 3.817 0 1 FHAF CCS(=O)(=O)c1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1 587251936 OTQPEPZMKFJFOK-UHFFFAOYSA-N 351.431 3.759 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1N1C[C@H](C)O[C@H](C)C1)O2 587392784 DDCULYZBLNEEOD-ZSDSOXJFSA-N 366.461 3.897 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cc(O)ccc2-c2ccc(O)cc21 587405789 YIJZGBOALJIBOK-UHFFFAOYSA-N 359.381 3.878 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Cl)cn1 587552532 SDCHESLLKUZSTM-RHSMWYFYSA-N 354.749 3.539 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OC)oc1C)CC2=O 587480755 KTEAUDBYZHLBOZ-FQEVSTJZSA-N 358.390 3.913 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1n[nH]c3cc(Br)ccc13)O2 587374637 ZKQXZXARMXHJPB-OAHLLOKOSA-N 372.222 3.923 0 1 FHAF C[C@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)N(C)C 587192240 SNEMOEHDTUWJIR-SSDOTTSWSA-N 361.081 3.581 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(OC[C@@H]3CO3)cc1)O2 587412329 NDQNHPRQZZAHRF-VGSWGCGISA-N 367.445 3.712 0 1 FHAF Sc1nnc(SCc2nc3c(Cl)c(Cl)cnc3[nH]2)s1 587025260 KAKFRAYGNSVJPO-UHFFFAOYSA-N 350.281 3.697 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OC)OCCO3)CC2=O 587484529 GSEPEALJYAVKBF-GOSISDBHSA-N 370.401 3.831 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc4nc(C)ccc4c3[nH]1)C2 587247627 VHFAAEZONHFKHR-QFIPXVFZSA-N 358.445 3.771 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)cc(C)cc3[nH]2)cc1 586940286 ZAWJRZQMFQXJGL-GFCCVEGCSA-N 361.442 3.754 0 1 FHAF Fc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587117897 HPNHIKNNEQGQQA-UHFFFAOYSA-N 351.263 3.621 0 1 FHAF C[C@]1(CC(=O)c2ccccc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962773528 XASBFUNKRVUCEC-VQIMIIECSA-N 361.363 3.821 0 1 FHAF COc1cc(-c2cn[nH]c2)ccc1C(=O)NCc1c(F)cccc1Cl 1772623393 SOEYUSIWHOBEMJ-UHFFFAOYSA-N 359.788 3.808 0 1 FHAF CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3ccc[nH]3)[C@@H]1C2 13521438 JHFJJZDYPUTFGU-XYHDIVKCSA-N 358.482 3.997 0 1 FHAF COc1cccc(OC)c1C1=Nn2c(nnc2-c2ccccc2C)SC1 13828726 YBHLVVWHAHIKSD-UHFFFAOYSA-N 366.446 3.629 0 1 FHAF COc1c(C(C)=O)c(O)c(OCc2ccc(C(=O)O)cc2)c2occc12 13682383 GLLMKLUQYCJFDE-UHFFFAOYSA-N 356.330 3.627 0 1 FHAF CC(C)(C(=O)O)c1ccc2c(c1)OC[C@H](Cc1ccc(Cl)cc1)[C@H]2O 26382522 CPCQJPSGKFSPDQ-SCLBCKFNSA-N 360.837 3.987 0 1 FHAF CC[C@H]1Oc2cc(O)cc(O)c2N=C1c1ccc(O)c(Br)c1 26398315 LHDKIFNIDVFSRF-CYBMUJFWSA-N 364.195 3.858 0 1 FHAF Fc1ccc([C@@H]2C[C@@H]3CC[C@@H](N3)[C@@H]2COc2ccc3c(c2)OCO3)cc1 26577125 HAHQKXHPHSTOFJ-GDAAHCPNSA-N 355.409 3.858 0 1 FHAF Cc1ccc2c(c1)OCc1ncccc1C2=C1CCN(CCC(=O)O)CC1 27556904 VMHMKUYLTSFGES-UHFFFAOYSA-N 364.445 3.655 0 1 FHAF CN(C(=O)Cc1cs/c(=N\c2ccc(F)cc2)n1C)c1ccccc1 29124746 IINOMNFNDFCWRU-VZCXRCSSSA-N 355.438 3.664 0 1 FHAF CCN(C)CCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12 39829612 FWMIXTKPPHIFDD-UHFFFAOYSA-N 356.491 3.885 0 1 FHAF in-vitro O=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccc(F)nc2)nc1 49792591 DFBQTBNRGSIKHN-UHFFFAOYSA-N 371.460 3.670 0 1 FHAF C[C@H](C1=C(CCN(C)Cc2nccn2C)Cc2ccccc21)c1cnccn1 66076827 KRLJKEOQHOYBSK-KRWDZBQOSA-N 373.504 3.846 0 1 FHAF COc1ccc(Oc2c(CO)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 66136443 CAGHPVWBRNGOID-UHFFFAOYSA-N 366.417 3.649 0 1 FHAF Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2C(=O)N2CCCC2)c1 82145893 FLTJYRSAROOWQR-UHFFFAOYSA-N 364.493 3.924 0 1 FHAF C[C@@H]1CNc2c(NCC3CCCCC3)c(=O)n(CC3CCCCC3)c(=O)n21 82211807 KUTZGPXUINNUHM-OAHLLOKOSA-N 374.529 3.569 0 1 FHAF CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@H]21 84670079 SEVLDDAIFKZMCD-OYTPZHDJSA-N 364.533 3.808 0 1 FHAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(F)c(OC)c3)oc2c1 139783920 ZSLVDMANEKVKNK-NSHDSACASA-N 367.380 3.893 0 1 FHAF COc1ccc(-c2nc3ncccn3c2-c2nc3cc(OC)ccc3[nH]2)cc1 473153094 YOWCMLKJVXHDFS-UHFFFAOYSA-N 371.400 3.957 0 1 FHAF Nc1cc(F)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1N 587136566 RVLQDAIBWGUZAM-UHFFFAOYSA-N 355.598 3.949 0 1 FHAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587162759 LHKUQICYQQVDHS-ZWKOTPCHSA-N 351.425 3.805 0 1 FHAF COC(=O)c1cc2[nH]c(Cc3c[nH]c4ccc(F)cc34)nc2cc1OC 587175187 RTIZGZQHHULCQO-UHFFFAOYSA-N 353.353 3.569 0 1 FHAF C[C@]1(Cc2ncccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333308 CIZHXCKVOVHIBD-TZIWHRDSSA-N 364.376 3.682 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccc(F)cc3)n1)CC2=O 587470773 IRSHQJMFNISXRQ-LJQANCHMSA-N 367.380 3.771 0 1 FHAF COCc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587775032 YDXJNVJFRXHNNL-QGHHPUGFSA-N 365.246 3.753 0 1 FHAF CC[C@]1(C2CCNCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587791583 GNBYEBNPFHVPSB-PIGZYNQJSA-N 355.295 3.727 0 1 FHAF CO[C@@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC1 587950325 BAISZMVMEGORER-OPFPJEHXSA-N 357.454 3.525 0 1 FHAF CC(C)c1nn(C)c2c1[C@@](C)(c1ccccc1OC(F)(F)F)NCC2 962923383 YWQIPIWQAOISCQ-QGZVFWFLSA-N 353.388 3.851 0 1 FHAF CN1C(=O)C[C@H]2CN[C@@H](c3cccc(-c4ccsc4)n3)c3cccc1c32 963025739 MQAUQWNCMCVFGD-LHSJRXKWSA-N 361.470 3.953 0 1 FHAF Cc1ccc([C@]2(c3ccccc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cn1 963035128 WIYRQCNZTBKGEU-XDHUDOTRSA-N 369.468 3.735 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@H]3C[C@H]1CCCCC12OCCO2 963056075 KXHOLZQHDPFABO-AEFFLSMTSA-N 368.477 3.754 0 1 FHAF COc1ccc(F)c([C@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 1772589163 LTFFYNBBYLBAGX-LBPRGKRZSA-N 369.396 3.724 0 1 FHAF Cc1ccc(-c2nc(CN3CCCC[C@@H]3CCN3CCCC3=O)c(C)o2)o1 13593796 PGSWOFBBAZVNJI-QGZVFWFLSA-N 371.481 3.918 0 3 FHAF CCC(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 22460271 ZOMSSSRBLWJELL-LAUBAEHRSA-N 371.550 3.522 0 3 FHAF COCOc1cccc(CN2CC[C@@](C)(Oc3ccc(C(C)=O)cc3)C2)c1 61902700 PMCWJKUXICNUPW-JOCHJYFZSA-N 369.461 3.915 0 3 FHAF COc1cc([C@H]2CN=C(c3ccc4c(ccn4C)c3)O2)cc(OC)c1OC 1493809 VVXYHELHUZGLHK-LJQANCHMSA-N 366.417 3.722 0 1 FHAF Nc1cc[n+](CCCCC[n+]2ccc(N)c3ccccc32)c2ccccc12 13758345 SFEABSNLLLHVKE-UHFFFAOYSA-P 358.489 3.603 0 1 FHAF O=C1c2ccccc2-[n+]2ccc3c([nH]c4cc(Br)ccc43)c21 15214340 NDMAFZQZLLBIEF-UHFFFAOYSA-O 350.195 3.905 0 1 FHAF CC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1cccc(Cl)c1)[C@@H](O)C(C)(C)O2 26729012 MKZLNLDWNBISMJ-QZTJIDSGSA-N 373.836 3.546 0 1 FHAF Cc1ccc2c(c1)C(=O)N(CCOC(=S)Nc1ccc(Cl)cc1)C2=O 28478216 LPILHCLKTXUNIK-UHFFFAOYSA-N 374.849 3.658 0 1 FHAF N[C@H]1CN(c2cc(Cl)nc(-c3ccccc3)n2)C[C@@H]1c1ccccc1 28823820 SFOGDHGESJHEDT-SJORKVTESA-N 350.853 3.728 0 1 FHAF O=C(CCC(F)(F)F)N1CCC(c2nc(Cc3cccs3)no2)CC1 73197566 ZAAYQIWMYSIIMR-UHFFFAOYSA-N 373.400 3.770 0 1 FHAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C3CC3)nnc2c1 84730900 UYKCOOOLCVCSHJ-UHFFFAOYSA-N 350.397 3.613 0 1 FHAF S=C(SCc1cn(Cc2ccc(Cl)cc2)nn1)N1CCCCC1 96285727 NEBSWKRRFLEZJS-UHFFFAOYSA-N 366.943 3.984 0 1 FHAF CCCOc1cc(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2n1 100643214 YKJIHAHNAACYCO-GJZGRUSLSA-N 354.450 3.806 0 1 FHAF O=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCOCC4)s3)ccc12 116440409 CFOBRURJGNEVGP-UHFFFAOYSA-N 367.426 3.559 0 1 FHAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(-c5ccccc5)n4)c3c2)o1 145410442 YJOIGTLSOAMPHW-UHFFFAOYSA-N 354.373 3.924 0 1 FHAF CCOC(=O)C1=C(c2ccc(F)cc2)N=C(C)[C@H](C(=O)OCC)[C@@H]1CC 169721224 CBTSGEJMBLQMDM-HOTGVXAUSA-N 361.413 3.780 0 1 FHAF C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1ccccc1 201312278 ARVDCQCSZGUSGD-OAHLLOKOSA-N 363.465 3.592 0 1 FHAF C[C@H](O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1 224995591 YJTZEIXDWJALDU-IBGZPJMESA-N 370.562 3.508 0 1 FHAF CCCS(=O)(=O)N1CCC(c2nc3ccc(C(C)(C)C)cc3[nH]2)CC1 586951875 AAHGIQAZVKXDCW-UHFFFAOYSA-N 363.527 3.780 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587043667 SPPDXJCUDDYOIJ-SNVBAGLBSA-N 358.389 3.597 0 1 FHAF OC1(c2nc3ccc(Br)nc3[nH]2)CCC(C(F)(F)F)CC1 587125994 IMWHVUXNYOXJEP-UHFFFAOYSA-N 364.165 3.661 0 1 FHAF N[C@]1(c2nc3ccc(Br)c(O)c3[nH]2)C[C@@H]1c1ccccc1F 587158801 XSWKBNJRABAXSS-JDNHERCYSA-N 362.202 3.512 0 1 FHAF Cc1ccc(C)c2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc12 587162479 CVLXDQHGNHZLMM-UHFFFAOYSA-N 350.397 3.597 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587434012 ZOBMQOUQTPCVRH-VWVPQACVSA-N 373.449 3.649 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4cnccn4)c1)[C@@H](C2)C3=O 587436699 UMBUGFALDKXDFW-KKSFZXQISA-N 360.369 3.766 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(OC)cc1N)CC2=O 587473548 XJAHAISGAJFIQT-NRFANRHFSA-N 371.433 3.825 0 1 FHAF COc1cc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587525680 RAXWNTFAPUHTHQ-IBGZPJMESA-N 354.402 3.995 0 1 FHAF Nc1cc(F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570341 VXLSPVZFQWIPMD-XLIONFOSSA-N 351.333 3.816 0 1 FHAF C[C@@]1(c2ccc(F)cc2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976673 NTRBJSOCJBANSC-DYVFJYSZSA-N 355.743 3.620 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccccc1)c1ccccn1 963607867 KPRSJTZSLGBTTE-WAIKUNEKSA-N 360.457 3.925 0 1 FHAF COc1cc([C@@H]2C[C@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc(OC)c1OC 1772649501 VHBNMPDAZYGSTM-DLCPYMQGSA-N 366.429 3.598 0 1 FHAF Cc1nnc2sc(C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]3C)c(N)c2c1C 1857644391 VVSZXIDQYRKLBW-BXUZGUMPSA-N 370.453 3.658 0 1 FHAF CC(C)=CCCC(C)=C[C@@H]1C[C@H](C[C@@H]2C(=O)[C@H](O)CC[C@H]2O)[C@@](C)(O)C1 2356534360 ARWRGDYUCCALTP-FYQGMOLJSA-N 364.526 3.547 0 1 FHAF NC(=O)N(O)Cc1ccc(OCc2csc(-c3ccccc3)n2)cc1 836108 ICGOXNNPVGBWDA-UHFFFAOYSA-N 355.419 3.659 0 1 FHAF CS(=O)(=O)c1ccc(-c2sc3ncnn3c2-c2ccc(F)cc2)cc1 838702 YUYGIQKCRIEWAR-UHFFFAOYSA-N 373.434 3.667 0 1 FHAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(C3=CC(=O)OC3)=CC[C@]12O 5161182 YGABECOLNBBTLH-LRSZPUOKSA-N 372.505 3.524 0 1 FHAF biogenic CC(C)(C)n1ncc2c(=O)n(Cc3ccc(F)c(C(F)(F)F)c3)cnc21 13831308 TWAKKRLXWZJOHI-UHFFFAOYSA-N 368.334 3.554 0 1 FHAF Cc1cc(O)c(C=O)c(C)c1CC[C@](C)(O)/C=C/c1cc(O)ccc1O 14636915 KIRQMFOOLNMKGC-HSTAZWAASA-N 356.418 3.630 0 1 FHAF Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1 27869119 KKLYBLFGKSXYJZ-UHFFFAOYSA-N 373.456 3.740 0 1 FHAF COc1ccc(-n2c3cssc-3c(NC(=O)C(F)(F)F)c2=O)cc1 28714455 VYKBMSHHVPVZFY-UHFFFAOYSA-N 374.365 3.575 0 1 FHAF O=c1cnnc2n1-c1ccc(Oc3c(Cl)cccc3Cl)cc1CC2 40395542 WIQDRKWMCCQLSZ-UHFFFAOYSA-N 360.200 3.825 0 1 FHAF CN1C(=O)NC(=O)[C@@H]1Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1 45358217 ADEZZPOFGABOAN-AWEZNQCLSA-N 365.216 3.878 0 1 FHAF O=C1Nc2ccc(Cl)cc2[C@@]12NCCCCc1c2[nH]c2ccccc12 49110240 BHHHVBQTPZIDOR-FQEVSTJZSA-N 351.837 3.943 0 1 FHAF c1coc(-c2nc(N3CCOCC3)ncc2-c2nc3ccccc3s2)c1 82165759 FNPPXFXKDTZQPI-UHFFFAOYSA-N 364.430 3.850 0 1 FHAF Cc1[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc2c1C1=CCNCC1 96910226 JRMPOFCGXCFNRD-UHFFFAOYSA-N 367.474 3.654 0 1 FHAF O=C(O)[C@@H]1[C@H]2C[C@H]3[C@H](CCCc4ccc5c(c4)OCO5)[C@H]4[C@@H]1C=C[C@H]2[C@@H]34 101440807 SMOQNODVPACIFX-CZWRZWPQSA-N 352.430 3.753 0 1 FHAF COc1ccc(C(=O)Cn2c3c(sc2=N)C[C@H]2CCCC[C@@H]2C3)cc1 101794248 YNEUZJLJVACODT-HUUCEWRRSA-N 356.491 3.826 0 1 FHAF COC(=O)[C@H]1[C@@H](OC(c2ccccc2)c2ccccc2)C[C@@H]2CC[C@@H]1N2C 168505242 JHZOGWJGKSOSOG-XSDIEEQYSA-N 365.473 3.817 0 1 FHAF CSc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1 169709308 CKXSBEQOEOYQAY-LIRRHRJNSA-N 371.506 3.658 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(C)c1 169723941 VGSUAGXLTLOJBS-SJLPKXTDSA-N 357.450 3.958 0 1 FHAF CS/C=C\C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C1 238742485 HFJJFBMNBYVNKQ-CZUSZWISSA-N 350.480 3.863 0 1 FHAF Cc1ncc(C(N)=S)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 261134106 LSWLEONMEQFWJB-HDJSIYSDSA-N 369.490 3.835 0 1 FHAF O=S(=O)(c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1)C(F)(F)F 587094003 YGQGJBUVLFWSFM-BQBZGAKWSA-N 358.263 3.522 0 1 FHAF CCOc1cc(/C=C\c2nc3cc(N)c(N)cc3[nH]2)ccc1OC(F)F 587130676 NVPIMZDXMYOIGQ-XQRVVYSFSA-N 360.364 3.898 0 1 FHAF CN1CCN(c2ccc3nc([C@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3c2)CC1 587150303 CEQOYVMKASMQHG-CVEARBPZSA-N 368.431 3.864 0 1 FHAF CCOC(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587165024 JBBBRXJOJHWAHO-UHFFFAOYSA-N 364.380 3.791 0 1 FHAF COC(=O)c1ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1OC 587174355 HTCVYGJYVIGNCK-UHFFFAOYSA-N 353.353 3.569 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3c(C)c(Br)cnc3[nH]2)c1C 587239761 WPXYMKRHNRBRLR-UHFFFAOYSA-N 373.254 3.827 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3[nH]nc(Br)c3c1)O2 587372896 NLSNPUNECHOGEE-HNNXBMFYSA-N 372.222 3.923 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC1OCCCO1)(c1ccccc1)O2 587413577 RZSIKAJILDBLHT-JOCHJYFZSA-N 367.445 3.981 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)ccc1O)CC2=O 587480817 PKBKNFFOBXMMGZ-GOSISDBHSA-N 356.374 3.543 0 1 FHAF Cn1ccnc1[C@@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512338 MZMTXBXWMPDECE-QFIPXVFZSA-N 359.429 3.603 0 1 FHAF C[C@H](O)c1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615015 UUELCYGFMAHZMD-XIWSCHCOSA-N 369.398 3.605 0 1 FHAF CCC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587804213 DAGNVSVLKYTJKA-QLJPJBMISA-N 358.251 3.681 0 1 FHAF Nc1ccc(-c2ccc3nc(Cc4ccc(CC(=O)O)cc4)[nH]c3c2)cc1N 587960434 CEVJZQQQFXUJCS-UHFFFAOYSA-N 372.428 3.612 0 1 FHAF CC(C)(C)Cn1nnc2c1CC[C@H](c1nc(-c3ccc(F)cc3)no1)C2 653751521 GVNGUSBOTCULBO-ZDUSSCGKSA-N 355.417 3.786 0 1 FHAF COc1ccc(/C=C\c2ccc3c(c2)c(CO)cn3C)c(OC)c1OC 1857656460 MIAVBHHQSXPQDE-ALCCZGGFSA-N 353.418 3.867 0 1 FHAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1cccc(C(F)(F)F)c1 2356300297 HWKAXYWOANYZSR-XEZPLFJOSA-N 355.404 3.947 0 1 FHAF Cc1ccc2nc(CO[C@H]3CN(Cc4ccccc4F)C[C@@H]3F)[nH]c2c1 2356727915 XOIJTMCOMJXNLM-LPHOPBHVSA-N 357.404 3.750 0 1 FHAF CCC(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 2356859365 STTMIERHNUQFMM-HXUWFJFHSA-N 369.465 3.603 0 1 FHAF NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1C(F)(F)F 205703706 JDTZKRBDBPOXII-UHFFFAOYSA-N 373.334 3.613 0 3 FHAF COc1ccc(CN2CCNC(=O)c3sc4ccc(OC)cc4c32)cc1 3647234 VMRQPOBPQVCSSL-UHFFFAOYSA-N 368.458 3.669 0 1 FHAF COc1ccc(CNC[C@H]2CCCN(Cc3ccc(OC)cc3)C2)cc1 103279747 ALTAZYOFJORWEF-HXUWFJFHSA-N 354.494 3.706 0 1 FHAF Fc1ccccc1[C@H](Nc1nnc(-c2c[nH]c3ncncc23)o1)C1CC1 103247495 VWWJMBYBXMDFAV-OAHLLOKOSA-N 350.357 3.710 0 1 FHAF COc1ccc2c3c([nH]c2c1)[C@H](Cc1ccc(OC)c(OC)c1)NCC3 26661334 JSBVZFZUIHRURA-SFHVURJKSA-N 352.434 3.623 0 1 FHAF C=CCc1ccccc1C(=O)NCCCCCC(=O)Nc1ccccc1N 117583299 FZRGVOILXJTLRH-UHFFFAOYSA-N 365.477 3.926 0 1 FHAF Cc1cc(NCCCN2CCCC2)n2nc(-c3cccc(F)c3)cc2n1 72101800 PTQAZVYHRRQYSW-UHFFFAOYSA-N 353.445 3.742 0 1 FHAF CCO[C@H](Cc1cccc(C2=NO[C@H](CCc3ccccc3)C2)c1)C(=O)O 40952274 HAMXNMHJIWXEJM-TZIWHRDSSA-N 367.445 3.845 0 1 FHAF COc1ncc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c1OC 49113767 MEQRHDQAWXNTKF-UHFFFAOYSA-N 351.358 3.828 0 1 FHAF CCOC(=O)C1=NO[C@@H](c2ccc(-c3noc(-c4ccccc4)n3)cc2)C1 40408387 JWIQRRNSMAALPP-QGZVFWFLSA-N 363.373 3.784 0 1 FHAF Cc1ccnc(N2C(=O)CS[C@@H]2c2c(F)cccc2C(F)(F)F)n1 40379243 NPGMZYIOCGUNSY-CYBMUJFWSA-N 357.332 3.722 0 1 FHAF CC(C)CNc1ncnc2c1nc(CC(C)(C)C)n2CC[C@@H]1CCCN1C 82178197 PWBZVTRXDRETTJ-INIZCTEOSA-N 372.561 3.967 0 1 FHAF O=C1N(CCN2CCCCCC2)CCN1c1cccc(C(F)(F)F)c1 49045313 GPOXSHFDBBJUJR-UHFFFAOYSA-N 355.404 3.823 0 1 FHAF COc1cc(Oc2c(C(C)(C)C)ccc(-c3cnc(N)cn3)c2F)ncn1 224552018 ZNZKLDIRVDIRDO-UHFFFAOYSA-N 369.400 3.753 0 1 FHAF CC[C@H](NC(=O)N1CC(=O)Nc2cccnc21)c1ccc(C2CC2)cc1 143572234 RTAWJAGHOPBLCR-INIZCTEOSA-N 350.422 3.578 0 1 FHAF CC[C@H]1C[C@H]2CN3Cc4c([nH]c5cc(OC)ccc45)[C@](OC(C)=O)(C2)[C@H]1C3 238770837 KJYMUDNOWXQGHJ-YARHRQRXSA-N 368.477 3.817 0 1 FHAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4cnc5cccnn45)cc32)[nH]1 653758413 ZJZMFADMYRHRQS-YBEGLDIGSA-N 355.401 3.834 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(F)c(Cl)c3)nn1)O2 587382644 SVDFHHFJEVVDSS-QGZVFWFLSA-N 372.787 3.657 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCCN3CCC[C@@H]32)[C@@H]1c1ccc(F)cc1 587349893 VXXWDQXNDSCQTA-SJBKTWHCSA-N 367.420 3.887 0 1 FHAF CC1(C)CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351230 ZLZBGOFKDQCBPC-RXVVDRJESA-N 355.409 3.649 0 1 FHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(F)c(F)cc2[nH]1 586972579 IOFNFALBUNFURR-KRWDZBQOSA-N 361.417 3.952 0 1 FHAF COC(=O)c1cc2nc(C[C@H](C)N(C)C)[nH]c2c(F)c1Nc1ccccc1 587190551 IIJWGSIIXIJJLY-LBPRGKRZSA-N 370.428 3.725 0 1 FHAF C/C(=C\[C@@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587513415 SJFIQHHLPPGNGR-GLBTYYSXSA-N 363.461 3.682 0 1 FHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(Br)ccnc2[nH]1 587069182 FNXQOJOEQXHPTI-SNVBAGLBSA-N 365.662 3.659 0 1 FHAF Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)c1C 587755287 OMZMJVBVJMDBFI-ANRSDYALSA-N 352.251 3.562 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4occ(C(=O)O)c41)[C@@H](C2)C3=O 587456463 VOKSURYCVZHKQM-YEJXKQKISA-N 368.385 3.602 0 1 FHAF CN(C)CC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCC1 587570437 ITSAJXFRXXTRCO-RXVVDRJESA-N 367.445 3.844 0 1 FHAF O[C@H]1C[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)c2ccccc21 586901460 HTAHUGPFSDEUOF-KOLCDFICSA-N 364.630 3.943 0 1 FHAF CC[C@]1(c2ccnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587760665 PNNACAXGTCZWGN-QLJPJBMISA-N 352.251 3.510 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)s2)N1 587847279 KBMWVEVHVKPYGG-NXSYQRQQSA-N 370.243 3.972 0 1 FHAF Cc1ccc([C@]2(CCn3ccnc3)c3ccsc3CCN2C(N)=O)cc1 962720826 YFJVIOMHEJRGLF-HXUWFJFHSA-N 366.490 3.524 0 1 FHAF COc1cc([C@]2(CC(C)(C)C(=O)O)NCCc3c(C)ccnc32)ccc1C 963072714 NBUOKAACOBFEOZ-QFIPXVFZSA-N 368.477 3.597 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ncc(Br)cc2N)N1 962945694 JSOOJJIBXRVZAL-BBATYDOGSA-N 371.282 3.921 0 1 FHAF CCCCn1c([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)nc2ccccc21 963032855 TZEZMXXPNBJHJY-OYHNWAKOSA-N 374.488 3.979 0 1 FHAF Cn1c(=O)cc(OCCCC(=O)NCCC2=CCCCC2)c2ccccc21 5067494 MHKQFSOVPBEKKG-UHFFFAOYSA-N 368.477 3.704 0 3 FHAF O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccsc1 13674424 JKZSORGVLCRTAY-VQTJNVASSA-N 368.502 3.926 0 1 FHAF CN(C)c1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1 117610357 AFMYXMGVZORRAH-UHFFFAOYSA-N 364.478 3.573 0 1 FHAF COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 5070763 JJNFJJXNOKWCLQ-IBGZPJMESA-N 368.477 3.789 0 1 FHAF COc1cc2c(-c3ccc4c(c3)OCO4)c3c(cc2cc1O)COC3=O 5512994 QGNYAXUXBZUMPS-UHFFFAOYSA-N 350.326 3.620 0 1 FHAF biogenic CN(C)CC/C=C1\c2ccccc2COc2ccc(CCC(=O)O)cc21 13455778 MBORUECSHYIVDB-UFWORHAWSA-N 351.446 3.980 0 1 FHAF CCc1ccccc1-n1cnc2c(sc3nccc(N(C)C)c32)c1=O 13676100 UTRYCWQCSOJNAJ-UHFFFAOYSA-N 350.447 3.624 0 1 FHAF Cc1cc(C(=O)c2ccccc2)cc(C)c1NC(=O)[C@@](C)(O)C(F)(F)F 13760220 AVTUPSUJJQVSEQ-GOSISDBHSA-N 365.351 3.786 0 1 FHAF COc1cccc(-c2nn(C)c3sc(C(=O)Nc4cccnc4)cc23)c1 20855861 VYWVRIFPHRSADB-UHFFFAOYSA-N 364.430 3.958 0 1 FHAF O=C(N[C@H](Cc1ccc(F)c(F)c1)C(=O)O)c1ccc2ccccc2c1 49073433 BALIYMHAXSQORG-GOSISDBHSA-N 355.340 3.544 0 1 FHAF CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(C(=O)c1ccco1)CC2 66136698 MFMHDVGEJIJQIY-CQSZACIVSA-N 354.450 3.677 0 1 FHAF COc1ccc(-c2ccc(Cn3ccc4c3C(=O)N(C)CCC4=O)cc2)cc1 72174773 IDHYGGLMMKMEJP-UHFFFAOYSA-N 374.440 3.870 0 1 FHAF Cc1cc(C)nc(NC(=S)N2CCN(c3cccc4[nH]ccc34)CC2)c1 95568511 TWFBOQUBLPOVOX-UHFFFAOYSA-N 365.506 3.699 0 1 FHAF O=C1C(=O)N(Cc2ccco2)[C@H](c2cccs2)[C@@H]1C(=O)c1cccs1 100275965 NEENZGLTVOMNJO-HUUCEWRRSA-N 371.439 3.554 0 1 FHAF C[C@H](CN1C(=O)CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1=O)c1ccc(Cl)cc1 101677999 FNLOYSHYLCJHER-SMKXDYDZSA-N 374.868 3.813 0 1 FHAF Nc1ccc(-c2cnnc(N3CC[C@H](c4cccc(Cl)c4)C3)n2)cc1 103226935 AHNNVBSWPOYFRO-HNNXBMFYSA-N 351.841 3.768 0 1 FHAF O=C(Nc1cccc2c1C[C@@H](O)CC2)N[C@@H]1CC[C@@H](c2ccccc2)C1 148551706 VDZTXFMUUMHYNW-QRVBRYPASA-N 350.462 3.994 0 1 FHAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 169085930 HOFXBWNODSOCNI-PUZFROQSSA-N 370.537 3.886 0 1 FHAF C[C@@H](Cn1c(O)cc(=O)n([C@H]2C[C@@H]3CC[C@@H]2C3)c1=O)c1ccc(Cl)cc1 169729794 QDBPUNLJMKEAQD-SHFYGJNESA-N 374.868 3.534 0 1 FHAF Oc1ccc(C2(c3nc4cc(Br)cnc4[nH]3)CCOCC2)cc1 586913928 VXNGFLJKXDMVSA-UHFFFAOYSA-N 374.238 3.523 0 1 FHAF FC(F)(F)[C@H]1C[C@@H]1c1nc2cccc(I)c2[nH]1 587092331 DHYBOZJHFDENIP-WDSKDSINSA-N 352.097 3.833 0 1 FHAF N=c1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c[nH]1 587150039 JSFSXYCBHKJLOA-GOSISDBHSA-N 352.344 3.817 0 1 FHAF COc1cc(OC)c2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cnc2c1 587395384 QPEQNMMPZCZHGK-IBGZPJMESA-N 364.401 3.849 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@]13CCN(C(=O)OC(C)(C)C)C3)O2 587400003 NDJPUMGUNCPZBP-LEWJYISDSA-N 372.465 3.702 0 1 FHAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1CCF 587557757 SSZLJARTSCVPGR-FXAWDEMLSA-N 368.364 3.570 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1O 587606743 FUSDTSBVCKPCGW-XLIONFOSSA-N 350.326 3.506 0 1 FHAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)c1=S 587610842 DZXJPYBKLDSFFD-QAPCUYQASA-N 368.414 3.502 0 1 FHAF COc1cc(O)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587805320 FWACCTDTZGECSS-HUTHGQBESA-N 366.230 3.926 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N(C)C)s2)N1 587851814 CSHVRNKXWFPOKI-RTHLEPHNSA-N 370.291 3.734 0 1 FHAF COc1ccc([C@@H](c2ccccc2)c2nc3cccc(C(N)=O)c3[nH]2)cc1 587937210 OLCAKLQGCMAMDI-LJQANCHMSA-N 357.413 3.851 0 1 FHAF COc1ccc2c(c1)[C@@](C)(c1cc3c(cc1N)OCCO3)N(C(C)C)CC2 962091522 OGMMHAMZEAPZNQ-QFIPXVFZSA-N 368.477 3.579 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1ccc3[nH]nc(OC)c3c1)N(C)[C@@H](C)C2 962617861 CHHAVZKJTPCLIP-YUNKPMOVSA-N 367.449 3.555 0 1 FHAF Cn1ncc2c1CCC[C@]21c2cccc(F)c2CCN1[C@H]1CCSC1 962720775 WQPWROQJLVNBFG-XOBRGWDASA-N 357.498 3.503 0 1 FHAF COc1cc2ccccc2cc1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023885 ISQUXXKXUFHKCT-QMHKHESXSA-N 358.441 3.991 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@H](C[C@H]1CCN(Cc3ccccc3)C1)C2 1772646243 TUFQEVJENHMDPV-IEBWSBKVSA-N 365.473 3.971 0 1 FHAF CC[C@H](C)C(=O)c1c(O)c2c(c3c1OC(C)(C)[C@@H](O)C3)OC(C)(C)C=C2 1857597995 GEQUBHXVOXNLLW-FZMZJTMJSA-N 360.450 3.880 0 1 FHAF COc1cc2c(cc1OC)C([C@H](C)c1ccc(OC)c(OC)c1O)=NCC2 1911577551 MRIXQJHQZAJICE-GFCCVEGCSA-N 371.433 3.576 0 1 FHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@]3(OC)C[C@H]12 2356629230 VZDRWGCKZZURIO-XLKVYAKGSA-N 362.466 3.927 0 1 FHAF Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)c1c[nH]nc1C 12430239 OUOBARFMIPCZIC-KRWDZBQOSA-N 363.465 3.656 0 3 FHAF CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1cc(-c2cccs2)oc1C 61905884 WEBQZQDUPPPGQB-LJQANCHMSA-N 360.479 3.837 0 3 FHAF N[C@@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@@H]1c1ccc(F)cc1Cl 28899542 NPRMBEFOHOIZLG-GDBMZVCRSA-N 374.872 3.929 0 1 FHAF COc1ccc(NC(=O)Cc2cs/c(=N\c3cccc(C)c3)n2C)cc1 29125282 TZKTVDHVVBVWMF-XDOYNYLZSA-N 367.474 3.817 0 1 FHAF CC(=O)NN1C(=S)Nc2sc3c(c2[C@H]1c1ccccc1)CCCC3 33900420 NHZJHIQPMHYCSY-MRXNPFEDSA-N 357.504 3.780 0 1 FHAF COc1ccc2c(c1OC)[C@H](C)N1CCc3cc4c(cc3C1=C2)OCO4 34203395 MLNIAFHKPVBLLZ-LBPRGKRZSA-N 351.402 3.863 0 1 FHAF Cc1ccc(-n2cnc3c(sc4cncc(N(C)C)c43)c2=O)cc1F 36159453 BFSQSXYELOIUJW-UHFFFAOYSA-N 354.410 3.509 0 1 FHAF O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2cccc(F)c2c1=O 45388404 BPGAVOWTLRKJKI-UHFFFAOYSA-N 365.282 3.906 0 1 FHAF CC(C)COC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 68572329 XBSZCEGJOYZQBJ-TUNPWDSISA-N 350.414 3.794 0 1 FHAF biogenic CCN1CCN(C(=O)c2cn(CC3CCCC3)c3c(OC)cccc23)CC1 146801240 XDHXSEXEARLZLF-UHFFFAOYSA-N 369.509 3.618 0 1 FHAF Cc1ccc(-c2csc(-n3[nH]c(C)c(-c4cc(C)no4)c3=O)n2)cc1 169330764 XQTXPMFSNXPLTD-UHFFFAOYSA-N 352.419 3.869 0 1 FHAF CC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]45[C@@H](CC[C@H]4O)[C@@]2(CCCC(=O)O)[C@H]1N5C3 238747408 NBPLSEUAFUURJP-BNEUJMONSA-N 361.526 3.527 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(Br)c(Cl)c2)C[C@H]2CC[C@H]1N2C 261085322 CKYZQAZVIFDTJK-YIKOMLBNSA-N 372.690 3.842 0 1 FHAF Cc1ccc(C(=O)N2CC[C@@H]3CN(c4cnc5ccccc5n4)[C@H]3C2)c(C)c1 261189242 YLPPSSAUBAJKOZ-UTKZUKDTSA-N 372.472 3.598 0 1 FHAF Nc1ccc(C(=O)C[C@]2(O)c3ccccc3-c3nc4ccccc4nc32)cc1 473135387 OOESNLVVSHEHFW-QHCPKHFHSA-N 367.408 3.701 0 1 FHAF CCc1cc(O)nc(SCc2nc3cccc(C(F)(F)F)c3[nH]2)n1 586966856 PJMPRZVREBTGJB-UHFFFAOYSA-N 354.357 3.932 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2nc(Cl)c(Cl)cc2[nH]1 586967028 PHEULIDNFVOQNM-UHFFFAOYSA-N 355.206 3.503 0 1 FHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(CCO)ccc3[nH]2)s1 587022925 FMSHUTHMXOXLNR-UHFFFAOYSA-N 360.439 3.568 0 1 FHAF C[C@@H](c1nc2cccc(I)c2[nH]1)n1cc(Cl)cn1 587080325 UIDUTKQKZCUYEJ-ZETCQYMHSA-N 372.597 3.627 0 1 FHAF O=C(O)c1cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2cc1F 587109911 WUGUCDHHAJMMAM-UHFFFAOYSA-N 368.242 3.784 0 1 FHAF Nc1ncnc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587110407 VCPLMNYRAVSMHT-UHFFFAOYSA-N 361.249 3.564 0 1 FHAF Cn1nnc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1C(F)F 587129597 YJFPJGXILWAUEF-UHFFFAOYSA-N 367.665 3.848 0 1 FHAF Fc1ncc(Br)cc1-c1nc2c(Br)ccnc2[nH]1 587178018 LZDKAQBBOWCDQX-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cnc(Cl)[nH]c-2n1 587232832 BSLNRKWNKARATH-NXEZZACHSA-N 351.838 3.509 0 1 FHAF Cn1ccnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339269 FOKZUJADJXSWMC-PXNSSMCTSA-N 352.365 3.539 0 1 FHAF C[C@H](C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O 587347551 BHPHPWZXQOVHOZ-MSIBFWPZSA-N 358.365 3.760 0 1 FHAF C[C@@]1(C2(C(=O)O)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354213 PVQMIEGBGKRNKY-QFBILLFUSA-N 356.349 3.514 0 1 FHAF C[C@@H]1CC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1C 587357070 SFHHNQSNBHEICO-DELZRDKQSA-N 354.377 3.874 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(Cl)cc1)O2 587377431 IHBWRKLTASMIKX-LJQANCHMSA-N 359.809 3.956 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CCC13CC3)O2 587400011 NGVJEJRKBLCXBC-NRFANRHFSA-N 372.465 3.702 0 1 FHAF CCCCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 587414220 RMGFBRGQNYWHHA-IBGZPJMESA-N 359.495 3.857 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)cc(C(=O)O)c1)CC2=O 587476836 GMOFDLYAJMGGTB-GOSISDBHSA-N 356.374 3.758 0 1 FHAF CC[C@H](CCC(=O)OC)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596386 VIHCSMMOPUHCTK-XMLVGPMBSA-N 370.401 3.702 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC1(CCOCC1)C2 587611529 SNJRDKXWRHGUOO-QGZVFWFLSA-N 352.386 3.683 0 1 FHAF CCOc1ccc(OCC)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587779033 WZGPYXQSAOAUCL-UHFFFAOYSA-N 351.406 3.912 0 1 FHAF Cc1n[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587801664 HSAIHEWWKYYBPW-VPTHRUTESA-N 352.251 3.726 0 1 FHAF COC(=O)[C@@H]1[C@H](C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587810592 UWPTVBHTWGGBOD-IRDZXKCFSA-N 370.262 3.537 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C(=O)O)N1 587825685 HWWSCECJXDTQCF-ABKXIKBNSA-N 364.214 3.910 0 1 FHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)OC)cc2[nH]1 587928100 WOFSNGAIYXJCGY-AWEZNQCLSA-N 354.406 3.909 0 1 FHAF COC(=O)c1ccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1OC 587929186 GYIPEKZRQSNNDO-QKKBWIMNSA-N 366.417 3.812 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587936897 MOWJKHXRZOMYHE-CWTRNNRKSA-N 366.396 3.733 0 1 FHAF Cc1c(O)ccc2c1[C@](C)(c1ccc(Cl)c(Cl)c1)N[C@H](C(=O)O)C2 963465252 AMOOBBGACQYDHT-KSSFIOAISA-N 366.244 3.870 0 1 FHAF CC(=O)N1c2ccccc2N(Cc2cc(C)ccc2C(=O)O)C[C@@H]1C1CC1 1857640927 UCGRJRJGPPILBF-OAQYLSRUSA-N 364.445 3.845 0 1 FHAF F[C@H]1CN(CC2CC2)C[C@@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 2356316603 ANLHVKXHTIGBRS-WFASDCNBSA-N 357.351 3.531 0 1 FHAF COC(=O)C1=CC=C[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=C[C@@H](OC)OC1=O 2356484053 HVIZCRZXNRVXKY-IWQDNSMASA-N 374.477 3.950 0 1 FHAF C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2356525155 UVVGWNHIKZRQLP-RJQTVZGUSA-N 372.505 3.524 0 1 FHAF CC=Cc1ccc(O[C@@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 2356594886 LBYGDOQPEKTTHN-RNODOKPDSA-N 374.433 3.952 0 1 FHAF CCCCCC=C[C@H](O)C=CCCCCCCCC(=O)OC[C@H](O)CO 2356711663 MRBYNZWOAUWCJR-VQTJNVASSA-N 370.530 3.667 0 1 FHAF CN(C)CCC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21 26175887 GBMRPNIUNBERLF-OCKHKDLRSA-N 351.446 3.980 0 1 FHAF CCCN(CCC)[C@@H]1CCc2cccc(S(=O)(=O)C(F)(F)F)c2C1 27330011 BPEVWFLHQBRSHZ-CQSZACIVSA-N 363.445 3.959 0 1 FHAF O=C(NCc1ccco1)c1ccc(-n2sc3ccccc3c2=O)cc1 64586073 HRFSFFXXTXEMAV-UHFFFAOYSA-N 350.399 3.575 0 1 FHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)(C)O)=C[C@]3(O)CC[C@H]21 2356596647 MSCQHAFYQSSUEH-QFIDOLFYSA-N 350.499 3.604 0 1 FHAF CCCN1CCC[C@@H](CNC(=O)CSc2nc3ccccc3s2)C1 28233600 CLCSUHJXQTUJFK-AWEZNQCLSA-N 363.552 3.627 0 1 FHAF CC(=O)C[C@H]1O[C@]2(CC[C@@](C)(CC(=O)O)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 37538789 FKFUHHRKZZBUFR-KXAOQFNBSA-N 352.471 3.937 0 1 FHAF O=C(NC1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1)C1CC1 72103020 LPIXMILYETZAPI-FQEVSTJZSA-N 369.896 3.815 0 1 FHAF CCNC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 84633133 YNCKOZXQTQUWHF-UHFFFAOYSA-N 367.409 3.532 0 1 FHAF CC(=O)N1N=C(Nc2nc3ccc(Cl)cc3s2)C[C@H]1OC1=CC=C1 45289598 MYDJUYAWVZSXAQ-OAHLLOKOSA-N 360.826 3.724 0 1 FHAF O=C(NCc1ccccc1C(F)(F)F)c1ccc([C@@H]2C[C@@H]2C(=O)O)cc1 653807423 AWWROVFOHVYUCT-GJZGRUSLSA-N 363.335 3.824 0 1 FHAF COc1cc(OC)c2nc(-c3cn4nc(SC)sc4n3)sc2c1 653664353 FPWNOSOZFXVXKC-UHFFFAOYSA-N 364.477 3.807 0 1 FHAF COc1c(F)ccc(F)c1-c1nc2ccc(Br)c(O)c2[nH]1 587133353 UOCORCZNWIXPDC-UHFFFAOYSA-N 355.138 3.985 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn3nccc23)N1 587789625 AEGVZJJVDHJQOL-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF O=C1C[C@@H](c2cccnc2N2CCOCC2)Oc2c1ccc1c2CCCC1 587519302 YHXUNHVJVRFECN-FQEVSTJZSA-N 364.445 3.504 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cnn2C)N1 587697924 PQDIFAAWRVBVCI-CPFSXVBKSA-N 358.642 3.599 0 1 FHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(OC)cc(OC)cc3[nH]2)cc1 587787476 VYYBKOQOWFOGFT-GJZGRUSLSA-N 352.390 3.524 0 1 FHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(C(=O)O)cc2[nH]1 587080943 VPXAOBMAHHRWDO-CYBMUJFWSA-N 354.797 3.638 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(Cc1cc(OC)c(OC)cc1C)[C@@H](C2)C3=O 587441206 DBFAXNLZYAKRFY-KSFYIVLOSA-N 368.429 3.770 0 1 FHAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 587192530 VEJJZLXHVLBBDR-ZDUSSCGKSA-N 373.844 3.914 0 1 FHAF O=C(O)/C=C/C=C\c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 587968654 NAEPSFAUAXBMNV-HSFFGMMNSA-N 361.117 3.998 0 1 FHAF Nc1cncc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 587254877 XGYXANGYSVBWMY-UHFFFAOYSA-N 368.032 3.732 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)OCC)nc1)CC2=O 587489936 XENITCSAVTUUJL-NRFANRHFSA-N 369.417 3.797 0 1 FHAF CC[C@@H](C)c1ccc2[nH]c(-c3cnn(C)c3C)c(C(=O)C(=O)OC)c2c1 587641875 IDRJVKRLTVGWIL-LLVKDONJSA-N 353.422 3.746 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CF)n1 587557445 RUYXZJMNIKEWMC-FXAWDEMLSA-N 351.333 3.960 0 1 FHAF CC1=C(c2ccc3nc(COC/C=C/c4ccccc4)[nH]c3c2)NNC(=O)C1 587780492 ASRGTRDKCQQNJA-VMPITWQZSA-N 374.444 3.548 0 1 FHAF Oc1c(Br)ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587037084 RNSADPDRFIUKEF-NSHDSACASA-N 365.252 3.949 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H]2CC3=O)N1 587830179 TXFJLJQJXJVNPT-KQIWDBKYSA-N 352.247 3.707 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cccnc1Cl)O2 587380933 YNCWVATTYPNAGT-FNQPIQQGSA-N 357.841 3.562 0 1 FHAF CN1CCc2cnn(C)c2[C@@]1(C)c1cc(Cl)c(Br)cc1F 963956344 WYKGDDOZSLJBCV-OAHLLOKOSA-N 372.669 3.727 0 1 FHAF C[C@@]1(c2cc(F)cc(F)c2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963233657 PHGIAAFXQJEHTA-XLIONFOSSA-N 372.346 3.515 0 1 FHAF COc1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1CO 962703495 MOAJORYIAFDQDX-HRAATJIYSA-N 373.493 3.780 0 1 FHAF COc1cccc2cc3c(nc12)[C@@H](c1ccc(-c2cccnc2)nc1)NCC3 963055605 JTJHILOHGAMIIZ-JOCHJYFZSA-N 368.440 3.936 0 1 FHAF COc1ccccc1[C@]1(c2ccc(Cl)nc2)NCCc2c(C)ccnc21 963067229 IOQQWIDUQHUFOU-NRFANRHFSA-N 365.864 3.885 0 1 FHAF Cc1cc(Nc2cc(Cl)cc(-c3ccc4nonc4c3)c2)nc(N)n1 1772594026 CHKRIKCGOCNRJX-UHFFFAOYSA-N 352.785 3.967 0 1 FHAF CC(C)Oc1cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2n1 13731421 XPDZGZWEBKVBJM-XYPWUTKMSA-N 354.450 3.804 0 1 FHAF Fc1ccccc1[C@@H]1C[C@H](c2cccc(Br)c2)Nc2nnnn21 15866363 VBCXHDSNTHQVAH-CABCVRRESA-N 374.217 3.721 0 1 FHAF COc1ccc(CN2C(=O)CCC[C@H]2c2c(OC)cccc2OC)cc1 167357797 JVROGSREYCFSNK-KRWDZBQOSA-N 355.434 3.966 0 1 FHAF O=C1COCc2cc(-c3ccncc3)ccc2N1Cc1ccc2c(c1)OCO2 205211934 QCVQJXXXARZGED-UHFFFAOYSA-N 374.396 3.541 0 3 FHAF Cc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(C)(=O)=O)cc1 205729103 SEFRLOLAGCRLDS-UHFFFAOYSA-N 372.417 3.985 0 1 FHAF O=C(c1cc(C(F)(F)F)no1)N1CCC[C@H](c2cc3ncccc3[nH]2)C1 1857545446 MNKDWPQWYVYQPR-JTQLQIEISA-N 364.327 3.590 0 1 FHAF C[C@H]1CCCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857762567 NLRANIOVJBCKFV-XJKSGUPXSA-N 372.415 3.692 0 1 FHAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc1 2356302447 VTGCOMMDBJQWJS-FXAWDEMLSA-N 369.440 3.619 0 1 FHAF CCc1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1OC 26393737 XHEAYBYFKCHLAH-UHFFFAOYSA-N 371.433 3.728 0 1 FHAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1cc(-c3ccccc3)c3ccccn13)C2 100809064 PWDFOARNHNRPNG-RTBURBONSA-N 359.473 3.961 0 1 FHAF COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc1 28526718 SKKYNXWSXJUPSL-IBGZPJMESA-N 365.433 3.579 0 1 FHAF O=C([C@H](Cc1ccccc1)n1cccc1)N1CCN(C2CCCCC2)CC1 20377239 GJYUFBGCMJUKFF-QFIPXVFZSA-N 365.521 3.749 0 3 FHAF Oc1ccc(C[C@@H]2CNCCN2CCC23CC4CC(CC(C4)C2)C3)cc1 22929283 FKUGFZNBSHPYHT-LOIQHOORSA-N 354.538 3.815 0 3 FHAF O[C@@H](Cn1c(Cn2nnc3ccccc32)nc2ccccc21)c1ccccc1 26258524 NCXSSYVYXNVLIX-NRFANRHFSA-N 369.428 3.563 0 1 FHAF c1cc(Nc2nccc(-c3cccnc3)n2)cc(OCCn2ccnc2)c1 29564156 LIMBOIOWYJOOIC-UHFFFAOYSA-N 358.405 3.558 0 1 FHAF C/N=c1\cc[nH]c2sc3c(=O)n(-c4ccc5scnc5c4)ccc3c12 35279054 GIASGKXSWXCTBM-UHFFFAOYSA-N 364.455 3.674 0 1 FHAF CC(=O)N1N=C(c2ccc3c(c2)OCCO3)O[C@@H]1c1cccc2ccccc12 73197338 PBHVMGRJWGKYAX-JOCHJYFZSA-N 374.396 3.850 0 1 FHAF O=C(O)c1sccc1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 73065178 JWLCYXTWTFDTLM-UHFFFAOYSA-N 351.232 3.727 0 1 FHAF Cc1ccc(CNc2ncnc3c2nc(C2CC2)n3C[C@@H]2CCCO2)cc1 82179392 XYAQPZAOMLVALT-KRWDZBQOSA-N 363.465 3.803 0 1 FHAF CNc1nccc(-c2ccc(C(=O)NCCc3ccc(C)cc3)s2)n1 40567430 KWWNNIKIVXQIJU-UHFFFAOYSA-N 352.463 3.528 0 1 FHAF O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CCc2ncsc21 220850509 RKEGYGDGAFBZHF-VIFPVBQESA-N 360.332 3.527 0 1 FHAF O=C1NC(=O)[C@H](Cc2ccc(Oc3cc(C(F)(F)F)ccn3)cc2)S1 45389663 YJZYJPILSDIJSW-LBPRGKRZSA-N 368.336 3.787 0 1 FHAF COc1ccc2nnc3c(C)nc(-c4cc(Cl)ccc4Cl)n3c2n1 84711379 RPLZXBUKXSYWDQ-UHFFFAOYSA-N 360.204 3.963 0 1 FHAF CCN(C(=O)c1ccccc1OCc1ccccc1)[C@H]1CCC[C@H](N)C1 96940043 FXOYOOYJFZTVMN-OALUTQOASA-N 352.478 3.998 0 1 FHAF CCCN(CCC)c1nc(N2CCCC2)nc2cc(OC)c(OC)cc12 95771785 VBMIEGBZXCOZFQ-UHFFFAOYSA-N 358.486 3.874 0 1 FHAF NC1=N[C@@](c2ccncc2)(c2cccc(-c3cncnc3)c2)c2ccccc21 95573816 AQKMASIJQXIOKJ-QHCPKHFHSA-N 363.424 3.549 0 1 FHAF O=C(O)c1ccccc1/C=C\c1nc2ccc(Br)c(O)c2[nH]1 586882500 WDRRQOPTVIMLHI-YVMONPNESA-N 359.179 3.900 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nn2cnnc2c2ccccc12 587873229 WRUUPFMLJRDULD-UHFFFAOYSA-N 374.379 3.668 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 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KEXGXGBRSMTTRI-LLVKDONJSA-N 353.332 3.700 0 1 FHAF O=C(N[C@@H]1CN2CCC1CC2)c1cc2cccc(C(F)(F)F)c2s1 149308146 SWHCZXSYRFCFJJ-CYBMUJFWSA-N 354.397 3.744 0 1 FHAF Nc1ccnc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1 224788135 YDAOGIOJNIKDOV-UHFFFAOYSA-N 374.379 3.696 0 1 FHAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C/C(=O)O)[C@@H](C)[C@@H]3C(=O)C[C@@H]12 238758383 LXJSFBJEYLPDJS-YWIQBENUSA-N 362.466 3.618 0 1 FHAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNCc3ccccc3F)[C@@H]2CC1 253667828 SCORIUASIYNFGF-JBISBCIJSA-N 373.468 3.751 0 1 FHAF CCNC(=O)c1c(NC(CC)CC)c2cccnc2n2c(C(C)C)nnc12 299823356 FKGAXKOHRYHJLA-UHFFFAOYSA-N 368.485 3.751 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4nccc(Br)c4[nH]3)oc12 586903365 JKSSFCXIHKCYGS-UHFFFAOYSA-N 372.178 3.955 0 1 FHAF CN(Cc1nc2ccc(Cl)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928481 AUBKRDQTTSITHV-UHFFFAOYSA-N 370.261 3.690 0 1 FHAF Cc1c(-c2nc3c(Cl)cncc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030071 WPHQDOJLHMRAAS-UHFFFAOYSA-N 357.826 3.761 0 1 FHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)ncc2[nH]1 587069765 KDNGWEXNTQMLSC-SNVBAGLBSA-N 365.662 3.659 0 1 FHAF Cc1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2n1 587203339 LNBSJKKOGFYXSC-UHFFFAOYSA-N 351.410 3.783 0 1 FHAF C[C@@]1(C2(O)CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357161 SOULFYCQFSOEIA-UYAOXDASSA-N 356.393 3.954 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4cccnc4)s1)[C@@H](C2)C3=O 587451771 KMNOBVXFKABBLZ-SCLBCKFNSA-N 350.399 3.702 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cccs1)CC2=O 587496480 YKEXRJKSOURREB-IBGZPJMESA-N 360.431 3.830 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(F)ccc1F 587567072 BXBWQKWMEGJITA-KXBFYZLASA-N 355.296 3.768 0 1 FHAF Cc1nc(F)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568626 HZCIKQYRBZQVCV-YLJYHZDGSA-N 351.333 3.938 0 1 FHAF N=c1[nH]oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 587578238 VMOHYPYDWUSHHN-FXAWDEMLSA-N 374.352 3.649 0 1 FHAF CCCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579733 WEQTXUNVBAPLAH-LPHOPBHVSA-N 350.374 3.702 0 1 FHAF CC(C)Cn1nccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581225 KZXOBYDEOUJDLF-WIYYLYMNSA-N 364.401 3.948 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1cccnc12 587584913 BYJSHTLFKCUKPS-AVRDEDQJSA-N 359.381 3.981 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Cl)cn2)N1 587705117 LSUUFHUBVJLFGF-AYVTZFPOSA-N 370.653 3.829 0 1 FHAF Cc1cnn(CCF)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587712566 BDXUWTBRBRBYNW-MEBBXXQBSA-N 370.241 3.686 0 1 FHAF CCn1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587754474 DOSLBYRYEWCPHE-QGHHPUGFSA-N 366.278 3.911 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C)N(C3CC3)C2)N1 587762868 UXBUDURFBFDPJS-CZIZLABSSA-N 353.279 3.574 0 1 FHAF CCCCOC(=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790809 GTWKMAKOERQMNU-QFYYESIMSA-N 358.251 3.681 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(CO)c2)N1 587826688 LIVUGKXSRWPZBM-VOJFVSQTSA-N 364.258 3.878 0 1 FHAF O=C(O)CCCCCCCCCCCCc1nc2c(O)nc(O)nc2[nH]1 587956852 CVUPDMFYVZDURF-UHFFFAOYSA-N 364.446 3.682 0 1 FHAF CCCCn1c([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)nc2ccccc21 963032857 TZEZMXXPNBJHJY-QRQCRPRQSA-N 374.488 3.979 0 1 FHAF Cc1ccc([C@@](N)(C[C@]2(C)NCCc3c(C)ccnc32)C(F)(F)F)cc1 963073462 QDJSXKWJDATOJB-OALUTQOASA-N 363.427 3.866 0 1 FHAF Cc1nc(=Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[nH][nH]1 1857589417 LPDPSQNMSBRFIN-UHFFFAOYSA-N 361.249 3.864 0 1 FHAF COC(=O)CCCCCCC[C@@H](O)[C@H](CCCCCCCCO)OC 2356406127 NUFKGRYSSIJFND-MOPGFXCFSA-N 360.535 3.989 0 1 FHAF C[C@]12CCC=C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2356636771 ULDLIESGVCHUSR-WCLRYEMNSA-N 372.505 3.524 0 1 FHAF COc1ccccc1O[C@@H]1O[C@H](OCc2ccc3c(c2)OCO3)[C@H](C)[C@@H]1C 2356668743 AATADWOXOWGJLR-VKTIVEEGSA-N 372.417 3.974 0 1 FHAF CC[C@H](C)[C@@H]1OC(=O)[C@@H]2C[C@]3(CC=C(C)C)c4ccccc4N[C@@H]3N2C1=O 2356788011 WEQVDRJVVSLJPA-IWQDNSMASA-N 368.477 3.605 0 1 FHAF Cc1ccc2[nH]c(=O)c3cc(C(=O)N(C)Cc4ccco4)sc3c2c1 8584053 WTWMZKNQPQDAHM-UHFFFAOYSA-N 352.415 3.916 0 3 FHAF CC(C)CC(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 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VIJRQUGEKGVSOO-IRLDBZIGSA-N 358.441 3.849 0 1 FHAF COC(=O)[C@@H]1[C@@H](OC2c3ccccc3-c3ccccc32)C[C@@H]2CC[C@@H]1N2C 147928410 JMAILUWJFFEWNB-CXTHYWKRSA-N 363.457 3.797 0 1 FHAF C=CC(=O)NC(C)(C)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988998 VSOGHDLFBXIQGZ-UHFFFAOYSA-N 372.424 3.775 0 1 FHAF CC(=O)NC(C)(C)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587752181 CMJRWNYUNPMDOO-DYZYQPBXSA-N 371.294 3.642 0 1 FHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(Br)cc2[nH]1 587052807 NPAVFSLUOYCUJH-LLVKDONJSA-N 366.646 3.927 0 1 FHAF N[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C1CC1 587255720 OUOPCIDVRBCELG-SECBINFHSA-N 350.138 3.634 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2C2CC2)N1 587766388 VVIJACLJEURESY-XYZCENFISA-N 364.262 3.823 0 1 FHAF COC(=O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005072 LWLRZJSBTAGPRP-UHFFFAOYSA-N 366.602 3.827 0 1 FHAF O=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(F)cc2O1 587508338 PATHNFHUHZUETN-OAQYLSRUSA-N 352.361 3.874 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cccc(F)c1)[C@@H](C2)C3=O 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1772606729 CUJUECKAMDHTQQ-UHFFFAOYSA-N 365.824 3.832 0 1 FHAF O=C(N[C@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@H]21 13451329 LDYMIBZOCSHLBG-FHLIZLRMSA-N 360.885 3.583 0 1 FHAF Cc1noc(C)c1-c1ccc2ncnc(NC[C@H]3CCCCN3C)c2c1 13828601 VBBQLTUTNDYBQT-MRXNPFEDSA-N 351.454 3.798 0 3 FHAF CC(C)(C)OC(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 169332142 ZHCQTOYNHYNIPE-UHFFFAOYSA-N 368.905 3.538 0 1 FHAF O=C(c1cccc(C(F)(F)F)n1)N1CCC[C@H](c2cc3ncccc3[nH]2)C1 1857547881 IQZZJWFSJULHCV-LBPRGKRZSA-N 374.366 3.997 0 1 FHAF C/C=C/c1ccc(O[C@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 1857550053 LBYGDOQPEKTTHN-XSOBDOKWSA-N 374.433 3.952 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4c5cccnc5CC[C@]34C)[C@@H]1CC(=O)OC2 1857649039 VCWHIHZKQAEZLF-VXQACOIFSA-N 353.462 3.686 0 1 FHAF CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3sccc3C)N2C1=O 1857654840 ZJCXRZRYBPCBNM-RDJZCZTQSA-N 365.458 3.836 0 1 FHAF COc1ccccc1CNC(=O)c1cc2c(=O)oc3ccccc3c2s1 4875666 INJXZUTWJDDJHS-UHFFFAOYSA-N 365.410 3.946 0 1 FHAF CC(C)COc1cccc(-c2nc3cc(C(=N)N)c(Cl)cc3[nH]2)c1O 5882031 RTSLVPMQUZXPBZ-UHFFFAOYSA-N 358.829 3.908 0 1 FHAF in-vivo COc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)[C@@H]2N3C)cc1 13605099 FYXWOKCKADGGGY-CTNGQTDRSA-N 367.449 3.675 0 1 FHAF CCNC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26393054 BQWMLHMOZSVPKK-BZFPSNDOSA-N 360.542 3.602 0 1 FHAF CCCc1c(OCCCCSCCC(=O)O)ccc(C(C)=O)c1O 27893927 OWDWPAUJPVJPDJ-UHFFFAOYSA-N 354.468 3.914 0 1 FHAF CCOC(=O)c1c(C)cc2cnn(-c3ccccc3Cl)c(=O)c2c1C 28755765 CSRHSLKFSNEBDX-UHFFFAOYSA-N 356.809 3.833 0 1 FHAF OC(c1ccccc1)(c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 39138516 HOPDHEHFNMVVFR-HSZRJFAPSA-N 359.469 3.996 0 1 FHAF in-vivo CC[C@H]1[C@H](C)C(=O)C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]13 40646294 WNPYNRMJONMARB-NZGGRUDISA-N 353.506 3.922 0 1 FHAF C[C@H]1CCCC[C@]12CC(=O)N(Nc1ccc(Br)cc1)C2=O 40848238 PTOOQKSRXYJIGU-ZBEGNZNMSA-N 351.244 3.731 0 1 FHAF O=C(NCC1CC1)c1ccc(-c2cc(C(=O)NC3CC3)ccc2F)cc1 40933905 CCZQCOZJIRYKNS-UHFFFAOYSA-N 352.409 3.525 0 1 FHAF CC(C)COC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)O 68572326 XBSZCEGJOYZQBJ-GUMHCPJTSA-N 350.414 3.794 0 1 FHAF biogenic CCc1ccc(S(=O)(=O)NC2[C@@H]3CC[C@@H]2Cc2ccccc2C3)cc1 101027709 UXSIKYQTNHPCAO-RTBURBONSA-N 355.503 3.721 0 1 FHAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccn2)n1)c1ccccc1 142052035 MMFFGLOWHPYPTQ-WMLDXEAASA-N 361.405 3.743 0 1 FHAF COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=C[C@@H](O)OC3=O)[C@H](C)CC[C@@]12C 238754235 OMPUFZJBZRIZHJ-JIVFAJJISA-N 362.466 3.520 0 1 FHAF CC(C)C[C@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 586900559 GRGWVRHJGQQPTQ-ZETCQYMHSA-N 363.053 3.562 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C)cnc3[nH]2)cc1 587040150 KZDBEKZPYJZTPI-MRXNPFEDSA-N 368.462 3.553 0 1 FHAF N=c1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c[nH]1 587067526 FKJLGKPNLRSORE-UHFFFAOYSA-N 350.809 3.850 0 1 FHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587068780 DFKQXMBDAODGNN-CYBMUJFWSA-N 369.831 3.826 0 1 FHAF OCCc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082268 MJLVVIYXDNXYTC-UHFFFAOYSA-N 368.824 3.651 0 1 FHAF COc1ccc(-c2ccc(-c3nc4cc(=N)[nH]cc4[nH]3)c(F)c2)c(F)c1 587152989 UKYTZGBNUYPFGN-UHFFFAOYSA-N 352.344 3.991 0 1 FHAF COC(=O)c1cc(Br)c(-c2cc3c4c(cccc4n2)CC3)[nH]1 587207125 BTMDKEBCRXPGCH-UHFFFAOYSA-N 357.207 3.878 0 1 FHAF CCOC(=O)CNc1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 587227783 XAWXMFDDSKHUOC-UHFFFAOYSA-N 365.220 3.907 0 1 FHAF CN1CCC[C@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 587342714 GTNQFCAJFQJZBS-GNSUPJDDSA-N 369.436 3.991 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(=O)c1cccc(Br)c1)O2 587378943 XCYAVUPWISMJFS-HNNXBMFYSA-N 360.207 3.556 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nn3c4ccccc4n(C)c13)O2 587395108 OSLODWYBONJJFN-JOCHJYFZSA-N 374.444 3.906 0 1 FHAF COCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587399698 LCMWMOOJPZMWSJ-LJQANCHMSA-N 371.433 3.708 0 1 FHAF CCOP(=O)(C[C@]1(CC)CC(=O)c2cc(C)cc(N)c2O1)OCC 587409314 RJRPRPOSSGDNJX-KRWDZBQOSA-N 355.371 3.957 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCc4c(OC)ccc(OC)c41)[C@@H](C2)C3=O 587440216 BGCVCZPUOBJFMI-NYHFZMIOSA-N 366.413 3.692 0 1 FHAF CC(C)Cn1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587580806 JIBBWEQXDBGKRS-RXVVDRJESA-N 364.401 3.948 0 1 FHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 587783830 AWHNAHJICGMZAE-CHWSQXEVSA-N 372.222 3.664 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)OCO3)N1 587835883 REOZUWCVHOXMEI-XLFHBGCDSA-N 364.214 3.941 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)[nH]n1 587867253 YMIBTLXFNHFUHC-UHFFFAOYSA-N 364.327 3.688 0 1 FHAF O=C(CCC(=O)n1nc2cc1Oc1ccc(F)cc1-2)Nc1ccccc1 587873804 NLFDZBDYHPDQLX-UHFFFAOYSA-N 351.337 3.854 0 1 FHAF COc1ccc(C[C@@H](C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1OC 587926692 NEONMUQWJAFNLH-SNVBAGLBSA-N 358.369 3.764 0 1 FHAF COc1cccc(C(=O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)c1 587930468 CJOFNRXQLXFHQE-UHFFFAOYSA-N 371.396 3.568 0 1 FHAF CCOC(=O)[C@@H](C[C@]1(C)NCCc2cccc(-c3ccccc3)c21)C(C)=O 962656550 BHAAGDNHOYFHND-REWPJTCUSA-N 365.473 3.873 0 1 FHAF Cc1cc2c(cc1O)[C@]1(C[C@@H](C(C)C)c3ccccc31)N[C@H](C(=O)O)C2 963492383 QKMKGEHTWIDRGW-XWFZLUIHSA-N 351.446 3.686 0 1 FHAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@H]1c1ccc(F)cc1 1857634222 QPYOFPDMITVUKS-INIZCTEOSA-N 371.437 3.697 0 1 FHAF COc1ccc([C@H](C)C(=O)c2ccc(N3CCOCC3)cc2)cc1OC 1857763400 WXXJMQHEDMUASV-HNNXBMFYSA-N 355.434 3.527 0 1 FHAF COC(=O)C=C1C[C@H](C)[C@@H]2C3(CC(=O)[C@@H]4C(C)(C)CCC[C@]24C)OC1O3 2356659456 DZUJBZDHDGENTK-JPIDYHTASA-N 362.466 3.616 0 1 FHAF O=C(Nc1ccccc1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356710627 LUDHAFJMIMFTJZ-MRXNPFEDSA-N 355.369 3.589 0 1 FHAF CCC(C)(C)n1nnnc1[C@H](c1cccnc1)N1CCCc2ccccc21 1333236 SJUUMHUCSXKYHI-IBGZPJMESA-N 362.481 3.755 0 3 FHAF Cc1ccc(CN2Cc3ccc(Br)cc3-n3nncc3C2)cc1 72141142 KZQPQIUUYYAKDO-UHFFFAOYSA-N 369.266 3.854 0 3 FHAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4o3)C2)cc1 2356301729 CTSMAVLYJNXCMS-QFBILLFUSA-N 356.397 3.576 0 1 FHAF O=C1[C@@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)CN1C1CCCC1 3039561 JRAXGJAXXDBUGO-OAQYLSRUSA-N 366.436 3.680 0 1 FHAF Cc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3cccnc32)cc1C 6797499 AYGGUFZZIOMXEP-UHFFFAOYSA-N 374.444 3.685 0 1 FHAF CCCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(C34C[C@@H]5CC3C[C@H](C5)C4)nc21 100642049 KWTCMZRWMFFRBW-CGIAKECWSA-N 367.497 3.678 0 1 FHAF CCc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)s1 26671110 KVJQMCNBZWMWMW-UHFFFAOYSA-N 368.484 3.890 0 1 FHAF CCN(C)C(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 28570095 FINYZPNAEUFDRR-KVIDMWFFSA-N 369.505 3.912 0 1 FHAF in-vivo O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc(-c2ccccc2Cl)[nH]n1 2356587651 SERYUISYWJSLJX-LIRRHRJNSA-N 372.900 3.724 0 1 FHAF CCCOC[C@H](O)CCC[C@@H](CCCc1ccc(C(=O)O)cc1)C(C)=O 27100716 SSUNVEZQHXROLL-UYAOXDASSA-N 364.482 3.871 0 1 FHAF CC=C([C@H]1C[C@@]12CCCC(C)(C)C2)[C@@H]1[C@H]2OC(=O)C[C@H]1[C@H](OC(C)=O)O2 2356826831 HKRWPAQMYDTSAL-FNENDTDGSA-N 362.466 3.964 0 1 FHAF C/C(=C/SCC(C)C)n1c(C(=O)c2ccc(Cl)cc2)noc1=O 40423384 LAJBFBMXZAPQHC-LUAWRHEFSA-N 352.843 3.928 0 1 FHAF COc1cc(C(=O)n2c(C)cc3cc(N(C)C)ccc32)cc(OC)c1OC 40933667 SVFPXASEULFFSG-UHFFFAOYSA-N 368.433 3.730 0 1 FHAF Cc1cc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)ccc1F 40975476 WOKGDWSLHLGJCZ-UHFFFAOYSA-N 360.392 3.786 0 1 FHAF C[C@H]1C=C(C(=O)Nc2ccccc2)O[C@@H](OCc2ccc(CO)cc2)C1 95783980 NJFUOBSWEBTVNH-MGPUTAFESA-N 353.418 3.601 0 1 FHAF COc1ccc(Cc2[nH]nc(O)c2-c2cn(C(C)=O)c3ccccc23)cc1 653816279 AUARMJJZPARQIL-UHFFFAOYSA-N 361.401 3.997 0 1 FHAF COc1ccc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(C(F)(F)F)c1 587098899 ZDRVYJMPJNVPAJ-UHFFFAOYSA-N 363.339 3.959 0 1 FHAF C[C@]1(c2ccncc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573135 XVEBPSITCBHBBC-YLJYHZDGSA-N 351.333 3.803 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN[C@H]3CCCC[C@H]32)N1 587797815 XIKSZUMGWFNTDT-YATPDGEBSA-N 367.306 3.870 0 1 FHAF COC(=O)c1cc2[nH]c(-c3c[nH]cc3-c3csc(C)n3)nc2cc1OC 587021181 KLJFMTLVHZXYJQ-UHFFFAOYSA-N 368.418 3.785 0 1 FHAF OCCc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587016719 AXXDFCYMDZCKPL-UHFFFAOYSA-N 356.838 3.937 0 1 FHAF COc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1OCC(=O)NC(C)C 587226287 WKDXSUHACKMAOX-UHFFFAOYSA-N 373.840 3.795 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCOc4c(F)cc(F)cc41)[C@@H](C2)C3=O 587428487 OWXMWULYMZYKEF-RNODOKPDSA-N 358.340 3.789 0 1 FHAF Cc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1C 587164382 UKVLRCGQRSKHHO-UHFFFAOYSA-N 350.397 3.597 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(N)c32)N1 587748428 XCKXXODJVMDJLN-MLCYQJTMSA-N 361.258 3.894 0 1 FHAF N[C@]1(c2nc3ccc(F)c(Br)c3[nH]2)C[C@H]1c1ccccc1F 587155236 IUQGGCXHMURBHQ-XXFAHNHDSA-N 364.193 3.945 0 1 FHAF CC(C)c1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651732 DIBXUROWBYINRZ-UHFFFAOYSA-N 356.809 3.893 0 1 FHAF CCCn1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587754981 NLYSSWHUFMHWMM-HWPZZCPQSA-N 352.251 3.818 0 1 FHAF Cc1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1C 587037137 DZBLOZHHORHMDZ-LBPRGKRZSA-N 367.478 3.927 0 1 FHAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 586885876 DLFSZAFYZAYCGM-YWZLYKJASA-N 353.466 3.649 0 1 FHAF CCn1nccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587762398 YHYDUVXNICZSJB-QFYYESIMSA-N 352.251 3.602 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CCO)cc2)N1 587827073 NERZKIJLGZLWBK-BBATYDOGSA-N 364.258 3.747 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(N)c2)N1 587713050 BADVTJZEVUAHBY-ZKANADHPSA-N 353.210 3.933 0 1 FHAF CN(C)/C=C1/c2nc3cccc4c3c(c2CCN1C(=O)OC(C)(C)C)CC4 587212764 QUQWNKCOBGKLAY-AQTBWJFISA-N 365.477 3.987 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c4c(c1)OCCO4)[C@@H](C2)C3=O 587424501 ZZGQQWCVSLRAFK-KPZWWZAWSA-N 358.777 3.609 0 1 FHAF COc1nccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c12 587020585 VLFSEHHPRCHKFN-UHFFFAOYSA-N 352.419 3.977 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(CCc3ccc(F)cc3)CC1)O2 587383883 HJKXQPHHEQPMGE-UHFFFAOYSA-N 368.452 3.759 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(F)c3[nH]2)cc1 587041826 GOFQCLSCYZVOKW-MRXNPFEDSA-N 371.437 3.989 0 1 FHAF Cc1sc(=N)[nH]c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587852826 NFSTZQWRRQAXDJ-KWKYVRJSSA-N 370.291 3.563 0 1 FHAF CC[C@](C)(OC)[C@@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963187623 SEMAQEQBNYJNHF-YVLXSGLVSA-N 365.779 3.814 0 1 FHAF C[C@@]1(c2ccc(F)cc2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976674 NTRBJSOCJBANSC-GUYCJALGSA-N 355.743 3.620 0 1 FHAF COc1cc(C)nc(C[S@](=O)C(c2ccccc2)c2ccccc2)n1 1772626834 OXMNZQJRXULMRY-VWLOTQADSA-N 352.459 3.832 0 1 FHAF CCOC(=O)[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 13491914 OYVHGIIMTHUYCL-FQEVSTJZSA-N 351.446 3.812 0 1 FHAF COc1cc(OC)c2c(=O)nc(-c3ccc(C(F)(F)F)c(C)c3)[nH]c2c1 1857584013 OIAACPFOGLMLTD-UHFFFAOYSA-N 364.323 3.935 0 1 FHAF CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1 774023 DBCWTNCMLILUIS-INIZCTEOSA-N 366.417 3.518 0 1 FHAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@H]1C(=COC)C(=O)OC 2356369928 VAMJZLUOKJRHOW-YLJYHZDGSA-N 366.461 3.737 0 1 FHAF CC(=O)CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C 7997885 CVPAHUYQRSGTNT-SGPZBQGBSA-N 370.489 3.574 0 1 FHAF CC(=O)c1cc(Cl)c(C)cc1NCC(=O)Nc1ccccc1C(=O)O 28644465 XVAKTXXPAIUOGR-UHFFFAOYSA-N 360.797 3.600 0 1 FHAF CCOc1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)O)cc1 101684227 SYGAZOVHPXYSAU-SCTDSRPQSA-N 361.482 3.660 0 1 FHAF O[C@@H](c1ccc2c(c1)OCO2)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61905686 YMMUDPQOFDOYIU-INIZCTEOSA-N 362.307 3.906 0 3 FHAF CCOC(=O)c1cc(C)sc1-n1nc2c(cnc3ccccc32)c1O 29465163 WKYUDBWBQHPFNB-UHFFFAOYSA-N 353.403 3.826 0 1 FHAF COC(=O)[C@H]1C[C@H]2C[C@@H]1CN2CCOc1ccc(Cc2ccccc2)cc1 27076360 IFWDQXSUHPPOCV-SJBKTWHCSA-N 365.473 3.540 0 1 FHAF CCCCC/C=C\C[C@@H]1O[C@H]([C@H](O)C/C=C\CCCC(=O)O)C[C@@H]1O 28895900 AWZVRICAMPEGBC-ZQVSGCBTSA-N 354.487 3.594 0 1 FHAF CC(=O)OCC1=CC(=O)[C@@H]2[C@H](CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]1[C@@H]1CO1 15154711 XBOSXIIHRPTNAV-ARHIEJMPSA-N 360.494 3.932 0 1 FHAF biogenic CC1(C)Oc2ccncc2[C@@H](n2ccnc2-c2ccc(Cl)cc2)[C@@H]1O 40863489 KEBNCYBRJLVJSM-SJORKVTESA-N 355.825 3.720 0 1 FHAF CC1=C(C(=O)N2CCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 40395694 XRIWGQFZPBIYIK-MRXNPFEDSA-N 363.248 3.711 0 1 FHAF COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3C)cn2)cn1 43122795 RVNRMEIFRQYQDT-UHFFFAOYSA-N 374.404 3.537 0 1 FHAF Cc1nc2sc(C(=O)NCc3nccs3)c(N)c2c(C)c1Cl 95594694 SOYOZXYAFZCPNB-UHFFFAOYSA-N 352.872 3.535 0 3 FHAF Oc1n[nH]c2c1[C@@H](c1ccc(F)cc1)O[C@H](CCOCc1ccccc1)C2 95599902 SWVBZVPYGDVQOW-YLJYHZDGSA-N 368.408 3.892 0 3 FHAF CC(=O)[C@H]1CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1 95603728 CDVIECWWKUMLHU-ICSRJNTNSA-N 357.475 3.726 0 3 FHAF O=c1c2ccccc2n2nc(-c3ccccc3)cc2n1CCCc1ncc[nH]1 96933153 QUNQLGZTQWOWJH-UHFFFAOYSA-N 369.428 3.672 0 1 FHAF NC(=O)O[C@@H](CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 95572067 WBSQSZXEXGMKDF-IBGZPJMESA-N 373.884 3.689 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@H]2C[C@@H]1c1ccccc12 95556723 CCNUQTMMRGAWTF-QKUWSGOFSA-N 364.445 3.814 0 1 FHAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2[nH]ncc2c1 299856484 JAPPIMUULVMDTB-JTQLQIEISA-N 364.232 3.953 0 1 FHAF Cc1cccc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3Cc2ccc(C)s2)n1 299841981 HEUVXGGETZFSNN-MOPGFXCFSA-N 355.507 3.525 0 1 FHAF O=C(CCCc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccc(Cl)cn1 587081856 HNOZOMNKFQNWSN-UHFFFAOYSA-N 361.760 3.654 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCCCC1 587863569 NNWDTYLBXUYMHR-UHFFFAOYSA-N 367.371 3.704 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CCC[C@H](C2)N3)N1 587788785 AHYLUBGKJXNPBW-SGPKTVCVSA-N 353.279 3.622 0 1 FHAF CC[C@@]1(c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587765815 UIWQRSLGQGEILI-HWPZZCPQSA-N 352.251 3.510 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cc(F)cc(F)c1)[C@@H](C2)C3=O 587426623 FGFHVEDRWCSHLC-VBKZILBWSA-N 368.339 3.852 0 1 FHAF Oc1nc(O)c2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2n1 587785225 ZAPOCXIWBGMKSZ-DHZHZOJOSA-N 360.373 3.514 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccc4)C[C@@H]1C)[C@@H](C2)C3=O 587439606 VJYSLEUGPZWTKE-IGCHPXFFSA-N 363.457 3.723 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCN3CCC[C@H]3C2)[C@@H]1c1ccc(F)cc1 587348969 STKHYTNCFQPKHA-AQKFKSFVSA-N 367.420 3.887 0 1 FHAF COc1cc(OC)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 587006802 PIIRIJFUYJEVMM-UHFFFAOYSA-N 373.210 3.657 0 1 FHAF N[C@H](Cc1nc2c(Cl)ccnc2[nH]1)c1ccc(Br)cc1F 587143111 WWUNXIVHTLJGLU-LLVKDONJSA-N 369.625 3.755 0 1 FHAF CCCCN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582246 KVHDZCZKQFJTJK-LJQANCHMSA-N 367.445 3.989 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(C)(C)C)(C(=O)O)N1 587828345 OTPFWQYTSROJFC-JDNHERCYSA-N 358.251 3.839 0 1 FHAF CC(=O)c1cc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)n(C)c1 961615594 QCEKWYCOPIDSNV-KRWDZBQOSA-N 359.267 3.758 0 1 FHAF COc1cc2cc(C(=O)C[C@H](C)C(=O)O)sc2cc1Br 1857611895 XSPQEYIGQJBPAN-ZETCQYMHSA-N 357.225 3.966 0 1 FHAF NC(=O)c1ccc2[nH]c(-c3ccc(Oc4cccc(C(=O)O)c4)cc3)nc2c1 13612115 PMRXAXHHFVVMHO-UHFFFAOYSA-N 373.368 3.819 0 1 FHAF O=C(O)Cc1nn(Cc2nc3ccccc3s2)c2ccc(Cl)cc12 13650633 AXNXAQSAOLDTLD-UHFFFAOYSA-N 357.822 3.975 0 1 FHAF O=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)N1CCCCC1 13824822 SEXSRNMDWBDCIO-UHFFFAOYSA-N 354.841 3.764 0 1 FHAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C2 169305716 OUKMKZRIJHPMFI-RHXQLXPWSA-N 352.837 3.749 0 1 FHAF CCOC(=O)c1c[nH]c2ncnc(-c3cccc(OCC(F)(F)F)c3)c12 206721734 CELFNLGAHYGWTE-UHFFFAOYSA-N 365.311 3.743 0 1 FHAF Cc1sc(=N)[nH]c1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 1857567452 KLVPAOMLKHDXNT-UHFFFAOYSA-N 369.471 3.723 0 1 FHAF COC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]1CC(C)C 1857576458 WTFDRRPGQNVNFT-MRXNPFEDSA-N 356.466 3.920 0 1 FHAF COc1ccc(CC[C@@H]([C@H](O)C(F)(F)F)[S@](=O)c2ccccc2)cc1 3181159 WTVZSKVJOOZHOZ-TZPNTHKFSA-N 372.408 3.727 0 1 FHAF COc1ccc(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)cc1 12073531 OZRNBJUKAKZAJZ-UHFFFAOYSA-N 352.365 3.688 0 1 FHAF CCc1cc(NCC(=O)Nc2ccccc2C(=O)O)c(C(C)=O)cc1Cl 28642748 BKJWPHZFUXQHSC-UHFFFAOYSA-N 374.824 3.854 0 1 FHAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@H](C)CO)c2)[nH]1 40936054 QZPGMBTVZASOSS-LLVKDONJSA-N 358.442 3.792 0 1 FHAF C=C1CCCC(C)(C)[C@]1(O)CC[C@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1 44431187 OHYYIYQJXHASNH-JSJNYSNDSA-N 354.487 3.942 0 1 FHAF biogenic CC(C)N(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@H](C(F)(F)F)O2 66156830 CHVDZCLOELVALQ-CQSZACIVSA-N 363.763 3.972 0 1 FHAF O=C(c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl)N1CCC(O)CC1 66165802 CZUCFJFFPOZNMO-UHFFFAOYSA-N 374.746 3.611 0 1 FHAF COCCn1cnc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21 74388537 VYPZRDKZLJDGAT-UHFFFAOYSA-N 352.316 3.720 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(OC)c1 169723952 KUCNRBSKLXDTRH-WMZOPIPTSA-N 373.449 3.658 0 1 FHAF COc1ccc(-c2c3c(cc4cc5c(cc24)C(=O)OC5)OCO3)cc1OC 238750401 BQPUGGCSGFPVKS-UHFFFAOYSA-N 364.353 3.923 0 1 FHAF COCCn1ncc2c1[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2 253638256 INEQZVGATSEVNJ-VMBXEPDQSA-N 352.478 3.805 0 1 FHAF CC(C)CCOc1cc2nc(CC3OCCO3)[nH]c2cc1Br 586908347 NHYVDUWZMNHQNO-UHFFFAOYSA-N 369.259 3.666 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3ccc4c(c3[nH]2)CCCC4)c1 586922712 YTGBXDQHNLOZPL-UHFFFAOYSA-N 354.475 3.826 0 1 FHAF O=C(Cc1ccc(Cl)cc1)c1nc2nccc(Br)c2[nH]1 587071973 OEUHCQAHZJLQGJ-UHFFFAOYSA-N 350.603 3.799 0 1 FHAF NC(=O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159109 MPNSLOLQMQPDCS-UHFFFAOYSA-N 371.375 3.807 0 1 FHAF NS(=O)(=O)c1cccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587164831 CGLAMUKRLHGJHA-UHFFFAOYSA-N 373.434 3.745 0 1 FHAF Cc1nc(N(C)C)ncc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587195260 SMXGRJXGWCTREN-UHFFFAOYSA-N 359.433 3.973 0 1 FHAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cccnc3[nH]2)c(O)c1 587240282 IEAHFSXIPQOWHY-UHFFFAOYSA-N 358.401 3.820 0 1 FHAF O=C1C[C@](C(=O)O)(c2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 587507816 TWYZJDCAKYVOLO-HXUWFJFHSA-N 358.340 3.789 0 1 FHAF CC(C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587579547 DPGHPBHFRJCDNW-PXNSSMCTSA-N 350.374 3.873 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2F)N1 587724927 AIORQUYJORPDOU-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1N 587750249 SGJLZMLROIZSER-XLFHBGCDSA-N 365.246 3.803 0 1 FHAF CCCn1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587755507 AHFXYNMGXLFYEK-MGPLVRAMSA-N 352.251 3.818 0 1 FHAF CC(C)COC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587788883 AIWNSPRYKLPLFO-APPDUMDISA-N 372.278 3.927 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C(=O)O)N1 587825107 FQVLSNOQKQATFZ-JDNHERCYSA-N 364.214 3.910 0 1 FHAF COc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587856210 WTRJYPUJGCSMEI-CPFSXVBKSA-N 357.248 3.677 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccncc1F 587862327 KBGJAJSWGOQIBN-UHFFFAOYSA-N 365.286 3.800 0 1 FHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587936886 MOWJKHXRZOMYHE-BLVKFPJESA-N 366.396 3.733 0 1 FHAF C=C(C(=O)O)c1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O 587945918 ORBLKBWNENPGLL-HNNXBMFYSA-N 371.364 3.951 0 1 FHAF O=C1CSc2ccccc2N1Cc1cn(Cc2ccccc2Cl)nn1 653805891 ZGCXGPLKBXFCJJ-UHFFFAOYSA-N 370.865 3.619 0 1 FHAF COc1ccc2c(c1)[C@](C)(c1ccc(-n3ccnn3)cc1)N(C(C)C)CC2 962090551 LPQIZLDLSYPMBW-QFIPXVFZSA-N 362.477 3.806 0 1 FHAF CC(=O)OC1CCC2(CC1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962709396 NXFLBPOOKPURGO-LSWWBPAMSA-N 363.498 3.890 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1cc3c(s1)CCCC3)NCC2 962918888 AEVORXHSRXAGEN-NRFANRHFSA-N 354.519 3.738 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cccnc1-c1ccco1 963609744 OEWRMBOZZLYULB-YEJXKQKISA-N 350.418 3.982 0 1 FHAF COc1cccc(F)c1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772611356 SVAFWEKJIYTTKR-CQSZACIVSA-N 356.353 3.799 0 1 FHAF O=C(Nc1ccccc1)NC1(C(=O)NCc2cccs2)CCCCC1 4965399 WSZSSWMJAZONJB-UHFFFAOYSA-N 357.479 3.889 0 3 FHAF aggregator CCc1c(Sc2ccccc2)n(COC2CCCCC2)c(=O)[nH]c1=O 6424974 DBMJTBUJNVLYTP-UHFFFAOYSA-N 360.479 3.557 0 1 FHAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2nccs2)[C@H]1c1cccs1 6875397 FGTQTCFAIZNTPD-LSDHHAIUSA-N 369.471 3.754 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(N)c3)cc2)C[C@@H]2CC[C@H]1N2C 29477597 FNFCKPGBCJVUBJ-BQJUDKOJSA-N 350.462 3.675 0 1 FHAF CCS(=O)(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCOCC1 29042800 QKMYBDCEPKMNCO-UHFFFAOYSA-N 364.511 3.554 0 1 FHAF O=C(OC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C1CC1 27198786 SZDHJGJMSARXNH-UHFFFAOYSA-N 357.841 3.719 0 1 FHAF C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3O)CCN12 26266029 AQTHUXWRIIVXKZ-KGYLQXTDSA-N 357.281 3.834 0 1 FHAF CO[C@]1(C)CCC=C(C)CCC2=C(C)C(=O)OC2=C[C@@](C)(O)CC[C@H]1O 2356509998 KEFOKZIMLWOHOY-HLAWJBBLSA-N 364.482 3.561 0 1 FHAF COC(=O)C[C@@H]1C(=O)O[C@@H]2O[C@H](C)C(=C[C@]3(C)CCCC(C)(C)C3)[C@H]21 2356734420 NBWPFZAKGLLNHV-ZLFHITIASA-N 350.455 3.616 0 1 FHAF CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc21 28385538 OEZKWQLOWHLJIR-UHFFFAOYSA-N 362.882 3.689 0 1 FHAF COc1cccc(N2C[C@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)c1 38914159 QYQJPFJLNUYYCT-CYBMUJFWSA-N 369.808 3.919 0 1 FHAF CC(C)[C@@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 36184645 GNFWJCGIZJCASB-VQTJNVASSA-N 356.416 3.915 0 1 FHAF CCC(=O)Oc1c2c(c(COC(C)=O)c3c(C)coc13)[C@H](C)C[C@H](O)C2 13300441 CJDTZTGSFJDSGM-MFKMUULPSA-N 360.406 3.530 0 1 FHAF biogenic C[C@H](C(=O)OCCO[N+](=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12 40974915 AKOHKZWHPPXXGH-JTQLQIEISA-N 362.769 3.830 0 1 FHAF COCCn1c(-c2ccc(Cl)cc2)nc2c(NCC(C)C)ncnc21 82177856 YPBZIWRGUOELFM-UHFFFAOYSA-N 359.861 3.861 0 1 FHAF OC[C@H](Nc1ncnc2sc(Br)cc12)c1ccccc1 299861400 LDQRYJQKJHOYIO-NSHDSACASA-N 350.241 3.599 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccccc1OC[C@@H]1CCCO1)[C@@H](C2)C3=O 587455977 RPKVHAHOTWPWIL-ICSGCJEQSA-N 366.413 3.742 0 1 FHAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO 587526438 STQHPPZDWBVOIR-JOCHJYFZSA-N 352.430 3.947 0 1 FHAF Cc1ccc(-c2nc(C)c(-c3ccc4c(O)nc(O)nc4n3)s2)cc1 587564084 NYRNZSQWYUANOH-UHFFFAOYSA-N 350.403 3.843 0 1 FHAF Fc1cnc(Br)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc12 587016521 MLUFSZUHSXDHLP-QMMMGPOBSA-N 369.219 3.835 0 1 FHAF Fc1c(Cl)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1F 587118051 IPIKUCDTUOUDKD-UHFFFAOYSA-N 350.678 3.953 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ncc(C)s1)[C@@H](C2)C3=O 587449068 DQNIJFKUMRRNAR-UGSOOPFHSA-N 352.415 3.740 0 1 FHAF CC(C)(C)[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354695 RAPOUUFLWIPDJE-OXQOHEQNSA-N 358.365 3.760 0 1 FHAF C[C@H]1C[C@@]2(CC[C@@H]1C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 587827422 OQGWIJLZTULTPY-DKQCNTTFSA-N 370.262 3.839 0 1 FHAF O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587616003 YMMLGLGFSIHSDU-APWZRJJASA-N 352.367 3.969 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc3c1OCC3)O2 587370292 DUCSPNWTBMNELP-INIZCTEOSA-N 374.234 3.981 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CCN(C)CC2)N1 587764966 AVLLRYCEODOVLM-IAQYHMDHSA-N 355.295 3.895 0 1 FHAF CSc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587614827 VBHBSHGNPSFIPE-MAUKXSAKSA-N 366.398 3.607 0 1 FHAF Cc1sc(=N)[nH]c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587852829 NFSTZQWRRQAXDJ-ZIDLFYJRSA-N 370.291 3.563 0 1 FHAF N[C@@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(Br)cc1F 587145519 ZXSNWFVBXILSCV-LBPRGKRZSA-N 374.217 3.583 0 1 FHAF CCN(/C=C(\F)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)CC 587547636 MAFCISJSAZZOKY-GNCSHZSESA-N 357.381 3.875 0 1 FHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(F)cnc(Cl)c4[nH]1)(C3)C2 587949995 HXNCZJIFINXHAP-IMWAJYHESA-N 363.820 3.904 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(CC1CC1)CC2 587581308 GVOAXAQZUVALEQ-LJQANCHMSA-N 365.429 3.598 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(n1)NCCC2 587594102 KGWFJIRYVDZDEI-RXVVDRJESA-N 374.396 3.848 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3ccccc3C(=O)O)nc2c1 586882590 YZRRPYXAUVBNNV-VOTSOKGWSA-N 356.765 3.872 0 1 FHAF CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)CC1 587632532 YSBZNYSGZQIZEQ-UHFFFAOYSA-N 366.820 3.684 0 1 FHAF Cc1ccc([C@]2(c3ccnc(C)c3)NCCc3nc4ccccn4c32)cc1 962983085 AKBXKXNHFJLUKE-HSZRJFAPSA-N 354.457 3.784 0 1 FHAF C[C@]1(Cc2ccccc2F)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962961430 GQUKBWWPHMGDBG-RDTXWAMCSA-N 369.770 3.814 0 1 FHAF Cc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)c(F)c1 962626603 CYKBAJQKZGUTJA-HZPDHXFCSA-N 369.314 3.721 0 1 FHAF Oc1ccccc1N1CCN(CC[C@H](O)c2ccc3ccccc3c2)CC1 13861799 LKSRGMMIWINIRJ-QFIPXVFZSA-N 362.473 3.791 0 1 FHAF O[C@@H](CNCCSCc1ccccc1)COc1ccccc1Cl 169325896 WEUPMFPIGMIARB-INIZCTEOSA-N 351.899 3.603 0 1 FHAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)N1CCC1 169720790 IROBRIAPKMUEAZ-HOTGVXAUSA-N 363.248 3.734 0 1 FHAF Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 202898805 YLHZKZPXOYZYCO-QGZVFWFLSA-N 350.201 3.715 0 1 FHAF Clc1cccc(-c2cnc3n2C[C@@H](CNCc2ccccc2)OC3)c1 2356302338 RZEMVSYYIGHBLG-GOSISDBHSA-N 353.853 3.892 0 1 FHAF CN(C)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCC[18F] 101512324 IZOYCGRRBKQLEO-AYBRLQTHSA-N 351.884 3.724 0 1 FHAF CC[C@H](Oc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1)C(=O)O 27549118 JZDGULFFACPIOT-IBGZPJMESA-N 353.418 3.599 0 1 FHAF CCNC(=O)[C@@]1(C)CCCN(C(=O)c2cc(-c3cccs3)oc2C)C1 61925826 MKQJEIWVFPSQGT-IBGZPJMESA-N 360.479 3.695 0 3 FHAF C[C@H](C1=C(CCN(C)Cc2ncc[nH]2)Cc2ccccc21)c1cnccn1 66076826 YBDNLKCSUIZMPU-INIZCTEOSA-N 359.477 3.835 0 1 FHAF COc1ccc(/C=C/C(=O)OC/C=C/c2ccc(OC)c(OC)c2)cc1 40935856 KTFDPMBVVKIJNU-CCKNLQGCSA-N 354.402 3.982 0 1 FHAF Cc1ccc/c(=N/S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)[nH]1 40973385 UEMTZAFSNGILCV-UHFFFAOYSA-N 358.850 3.933 0 1 FHAF C[C@@H]1CCc2nc(CCCN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2C1 40412885 FHITVFDYWLZSRT-QGZVFWFLSA-N 363.505 3.617 0 1 FHAF CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C)C[C@@H]3OC(=O)C4=CCC[C@H]2[C@@]43C)C(=O)O1 136945156 CLPKJMFRRPJXHG-JLNURPTBSA-N 360.450 3.537 0 1 FHAF Cc1cc2c(cn1)OC[C@@H]2NC(=O)Cc1cccc(C(F)(F)F)c1Cl 146622656 SOHGRLXDYNCANK-ZDUSSCGKSA-N 370.758 3.855 0 1 FHAF O=C(Nc1cc(Oc2cncnc2)ccn1)c1cccc(Br)c1 96175673 LYENJPWKMIUSLI-UHFFFAOYSA-N 371.194 3.679 0 1 FHAF COc1ccc2c(c1)N=CN1CCc3c([nH]c4ccccc34)C3=NCC[C@@]321 238770708 AOBQIVNHKSDJGP-QFIPXVFZSA-N 356.429 3.796 0 1 FHAF COc1cc(O)c2c(O)c3c(c(CC=C(C)C)c2c1)C[C@](C)(O)CC3=O 31168125 NHWKARBNIFISAQ-NRFANRHFSA-N 356.418 3.648 0 1 FHAF biogenic CC(=O)Oc1cc(O)c2c(c1)/C=C/CCC[C@@H](O)CCC[C@H](C)OC2=O 653823324 YZEOCIDFBYMBCT-DXMCUWNESA-N 362.422 3.591 0 1 FHAF COc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1F 586984151 NKBIDEIDHNYLIL-LBPRGKRZSA-N 364.218 3.716 0 1 FHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Br)cnc3[nH]2)cn1 587246477 AKVORCYRWSUXQD-UHFFFAOYSA-N 374.242 3.767 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)cc2)N1 587826764 LRYARKNCUMZDSE-XXFAHNHDSA-N 364.214 3.910 0 1 FHAF CCC[C@]1([C@H](C)C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587804674 DZHQPTHMJKNLTQ-CZIZLABSSA-N 372.278 3.927 0 1 FHAF CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc21 587506187 JNEMAEHBQMQMNI-QFIPXVFZSA-N 365.404 3.932 0 1 FHAF C[C@H](O)c1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856830 ZBFWVMWBGXBCLP-KXEKKFMESA-N 371.275 3.722 0 1 FHAF COC(=O)[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351970 NQPORCUSWRALBN-GHTZIAJQSA-N 372.392 3.848 0 1 FHAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCN1C(=O)OC(C)(C)C)CC2=O 587474912 IITTVXFOYKRSBP-PBHICJAKSA-N 361.438 3.688 0 1 FHAF CCn1cc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 587431172 IUTIBYFRFHFACQ-WZONZLPQSA-N 374.440 3.911 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CCN(c3cccc(C)n3)CC1)O2 587395519 NPDYGRHPWUZECK-LJQANCHMSA-N 351.450 3.531 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1O)CC2=O 587464056 HNSFMEFYWATRFF-LBPRGKRZSA-N 370.327 3.509 0 1 FHAF Cc1ccnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 586998817 PCWOOINBACRADS-NSCUHMNNSA-N 358.195 3.928 0 1 FHAF COc1c(F)ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1N 587132528 CPAUPPWMBJZLSA-UHFFFAOYSA-N 371.597 3.771 0 1 FHAF O=C(Cc1nc2ccc(Br)c(F)c2[nH]1)OCc1ccccc1 587782642 WEEBIMHJRAANFT-UHFFFAOYSA-N 363.186 3.750 0 1 FHAF COc1cccnc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589347 UVHAYEBODKDKPL-LAUBAEHRSA-N 363.369 3.673 0 1 FHAF Cc1nn(C)c([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1Br 963118536 ZRAWCZFDJAAHRT-XJKSGUPXSA-N 364.262 3.740 0 1 FHAF CC(C)CCCCCCCCCCC[C@H](O)[C@@H](N)CS(=O)(=O)O 5452885 XMTQSVIYISYLNK-IRXDYDNUSA-N 351.553 3.510 0 1 FHAF in-vitro O=C(N[C@@H]1CCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 169350899 GCOWIJVNLKUCDS-WOJBJXKFSA-N 369.415 3.887 0 1 FHAF C[C@@H](N=O)c1ccc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1 169694302 CLJYQQITDCCBCJ-NXEZZACHSA-N 368.347 3.930 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@]1(F)COc2ncccc21 205613873 UPYNKNFIYBQHDQ-MRXNPFEDSA-N 355.196 3.570 0 1 FHAF Cc1ccsc1[C@@H]1c2[nH]c3ccccc3c(=O)c2CN1c1ncccn1 1857646758 LPNFHENLGJXKPN-KRWDZBQOSA-N 360.442 3.798 0 1 FHAF c1cc(-c2ccc3ncnc(Nc4ncco4)c3c2)cc(N2CCOCC2)c1 1857747270 NWSVUBYWJCKRPD-UHFFFAOYSA-N 373.416 3.865 0 1 FHAF CC[C@H](C)N1C(=O)CN(C2CCC(C)CC2)C(=O)[C@@H]1c1ccc(F)cc1 3038502 OVSYWPLDBYZTPC-PSUVVADJSA-N 360.473 3.915 0 1 FHAF CCOC(=O)c1sc(C)c2c1N[C@@H](c1ccc(SC)cc1)NC2=O 4171748 MPUPIOGKHGTECH-OAHLLOKOSA-N 362.476 3.809 0 1 FHAF O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN1C(=O)NC1CCCCC1 6552175 YVLBURNMHJRSKD-QPRVAFDKSA-N 373.541 3.578 0 3 FHAF CC1=C(c2ccccc2)S(=O)(=O)N=C1N[C@H]1CCCc2ccccc21 9286788 SLNOZAYIKFWNKA-SFHVURJKSA-N 352.459 3.827 0 1 FHAF Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2ccccc2)n1CC1CC1 28862034 HJOUFLQIRMUULA-ZPHPHTNESA-N 364.536 3.855 0 1 FHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@@H](Cc5ccc(=N)[nH]c5)C4)(C[C@H](N)[C@H]31)O2 2356505338 AYQIYMYUYUADHZ-DYCSLHONSA-N 369.553 3.908 0 1 FHAF COC(=O)C=C(C)CCC(C)(C)C(=O)[C@H]1Cc2c(C)cccc2C(=O)O1 2356523497 UDPOYGABQYSIDP-QGZVFWFLSA-N 358.434 3.571 0 1 FHAF O[C@H](CNCc1ccc(F)cc1F)Cn1c2c(c3ccccc31)CCCC2 73170071 LRTGRGDQNQGEIP-QGZVFWFLSA-N 370.443 3.949 0 1 FHAF COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CC[C@H]2C[C@H]3CC[C@H]2C3)cc1 253793125 VQKLFYFQQYOFJU-RKFFNLMFSA-N 367.537 3.808 0 1 FHAF CSc1cn2c(n1)O[C@@](C)(COc1ccc(OC(F)(F)F)cc1)C2 653737718 HDNZKYFDDJRSQX-CQSZACIVSA-N 360.357 3.734 0 1 FHAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Cl)ncc2[nH]1 587064644 FFDSSCYDLVYBDH-UHFFFAOYSA-N 352.177 3.665 0 1 FHAF CCO[C@@H](C)c1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2N)cc1 587650227 HJDODBHZSXOLDW-LBPRGKRZSA-N 358.463 3.918 0 1 FHAF COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587590100 XRMPCGGFZZLYIA-WIYYLYMNSA-N 363.369 3.673 0 1 FHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(Cl)c2[nH]1 587194266 PFSPVBKTHJXEMJ-ZDUSSCGKSA-N 352.866 3.734 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN3CCC[C@@H]32)N1 587793630 RROSMFXQLZOOPB-SSKCKEOISA-N 353.279 3.576 0 1 FHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cncc(Br)c2[nH]1 587174222 GSTDACPIGLYKDV-LBPRGKRZSA-N 374.217 3.583 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(n1)NCCC2 587594100 KGWFJIRYVDZDEI-NQIIRXRSSA-N 374.396 3.848 0 1 FHAF Cn1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C(F)F 587554422 IBKRVZXPUUPIGA-RDTXWAMCSA-N 372.327 3.766 0 1 FHAF Cc1c(-c2nc3c(S)nc(S)nc3[nH]2)cnn1-c1ccc(Cl)cc1 587075181 FFYYGKFWPBQXNN-UHFFFAOYSA-N 374.882 3.745 0 1 FHAF COC(=O)[C@@H]1[C@H](C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587810599 UWPTVBHTWGGBOD-VTVXRMMJSA-N 370.262 3.537 0 1 FHAF Cc1cc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2cc1C 587259918 OUCQIPZJWKGXGO-KRWDZBQOSA-N 366.465 3.886 0 1 FHAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 586945719 AOSPIFSPABRGTE-UHFFFAOYSA-N 371.506 3.554 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=N)N)cc1)CC2=O 587469086 HTKCNDMDRVCBOP-FQEVSTJZSA-N 353.422 3.531 0 1 FHAF CC(C)(SCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(=O)O 586960657 XJJQLIMQWLMSRI-UHFFFAOYSA-N 369.315 3.708 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)O2 587387121 NIOMLGVDCLMVPA-DEYYWGMASA-N 374.481 3.995 0 1 FHAF Oc1nc(S)nc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc12 587112034 JOKRSALXZVSGRZ-UHFFFAOYSA-N 363.324 3.581 0 1 FHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cncc(Cl)c4[nH]3)cc2N1 587126422 KAVMBKGZEOIIFV-LHLIQPBNSA-N 356.739 3.782 0 1 FHAF CN(C)CCOc1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587138804 QVOBJBZSOALGLE-UHFFFAOYSA-N 363.383 3.706 0 1 FHAF CCOC(=O)CNc1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 587226613 CCMJNQLAAGYEAV-UHFFFAOYSA-N 374.238 3.967 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587232123 UGFGIQFAPQKITQ-VXGBXAGGSA-N 369.387 3.618 0 1 FHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 587785363 NOMQLABJTBLSOH-VXGBXAGGSA-N 372.222 3.664 0 1 FHAF COc1cncc(OC)c1[C@@H]1c2ccsc2CCN1Cc1cccn1C 962375025 QMOCVYUSJZGPKM-FQEVSTJZSA-N 369.490 3.647 0 1 FHAF CC(C)[C@H](O)c1nc(-c2nc(-c3nc(CO)cs3)cs2)cs1 1772630829 VGTYTQXSCGPUDT-NSHDSACASA-N 353.494 3.572 0 1 FHAF CCN(CC)CCN1C(=O)[C@](O)(c2ccc3ccccc3c2)c2ccccc21 13471173 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29220889 XVYFFIJITDUPCR-UARICKSISA-N 353.506 3.922 0 1 FHAF COc1cc([C@@H]2CC[C@H](OCCCc3cccnc3)O2)cc(OC)c1OC 29315927 YHPMSNPULLVNAA-FXAWDEMLSA-N 373.449 3.934 0 1 FHAF O=C(CC(=O)C(F)(F)F)Nc1cccc(-c2cnc3ccccc3n2)c1 100638279 KWRGAOBTEJFQNZ-UHFFFAOYSA-N 359.307 3.757 0 1 FHAF CC1(C)CCC(C)(C)c2nc(C(=O)Oc3ccc(C(=O)O)cc3)cnc21 26828619 MJICOPKYJPDJKO-UHFFFAOYSA-N 354.406 3.743 0 1 FHAF Cc1ccc2c(c1C)CN(C(=O)N1CCOCC1)C[C@H]2c1ccccc1 28572223 VWCKJFFQQRCDKT-NRFANRHFSA-N 350.462 3.703 0 1 FHAF CC1=C(C=C[C@]23NC(=O)CN2c2ccccc2C3(C)C)C=C2C=CC=C[C@H]2O1 2356525106 JXSGLNRZTNLMMK-QPPBQGQZSA-N 372.468 3.892 0 1 FHAF COc1cc([C@@H]2CO[C@@H](c3ccc(N(C)C)cc3)O2)cc(OC)c1OC 27518866 YBYBQZPEKBJDJJ-AZUAARDMSA-N 359.422 3.565 0 1 FHAF CNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 28826390 PYVSBJWAXXPDJO-UHFFFAOYSA-N 361.445 3.566 0 1 FHAF in-vitro COc1cc(Nc2cncc(-c3cccc(O)c3)n2)cc(OC)c1OC 35900228 HHKSDUPLCJQTDA-UHFFFAOYSA-N 353.378 3.619 0 1 FHAF Cc1ccc(CN(C#N)C(=O)c2ncn(Cc3ccc(C)cc3)c2C)cc1 73197261 LRLYKSJZONMUQF-UHFFFAOYSA-N 358.445 3.980 0 1 FHAF COc1cc(Nc2cncc(-c3ccc(C=O)cc3)n2)cc(OC)c1OC 34635059 NCCTXSAAPZYIRK-UHFFFAOYSA-N 365.389 3.726 0 1 FHAF C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 40685377 VFTOBPQVFABRND-IFQGXVKQSA-N 359.510 3.963 0 1 FHAF CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCC3CC3)ncnc21 82186323 RLKXZOHVVDMFFC-INIZCTEOSA-N 370.545 3.721 0 1 FHAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CSCC(=O)N1Cc1cccs1 199230543 YLKWQNZOQLCUQH-LJQANCHMSA-N 374.531 3.838 0 3 FHAF Cc1c(OS(=O)(=O)c2cccc(Cl)c2)cccc1C1CCNCC1 40379302 ZROUIXGNYSVMHU-UHFFFAOYSA-N 365.882 3.883 0 1 FHAF O=C(C1CC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21 95797512 GXXSLEPRYNMVSB-JRGCBEDISA-N 352.478 3.730 0 1 FHAF Fc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140178004 KHRJWUWBBXEVDW-UHFFFAOYSA-N 357.392 3.830 0 1 FHAF O=C(NC1CCCCC1)c1c(NO)cc(-c2ccc(Cl)cc2)oc1=O 473154574 IRDNUPGTEXSQRE-UHFFFAOYSA-N 362.813 3.824 0 1 FHAF O=C1NC(=O)/C(=C/c2ccc(OCCc3ccccn3)cc2Cl)S1 96282309 DFSGKRDFJGSBOP-DHDCSXOGSA-N 360.822 3.680 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCC(=O)O)N1 587828321 OSMSDKVIIIUZQO-HWPZZCPQSA-N 358.251 3.983 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Br)cccc31)O2 587370275 DIVZNGCHXILHSU-GOSISDBHSA-N 374.234 3.983 0 1 FHAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 587770917 KOTYJCCCYAQLHG-JDNHERCYSA-N 351.219 3.615 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1OC 587871027 XIOQXNBZRQQLPD-UHFFFAOYSA-N 370.380 3.816 0 1 FHAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC3C[C@H]1CC(C(=O)O)(C3)C2 587491441 VXTCNCFPVNQSPP-DQFNUGKXSA-N 370.445 3.960 0 1 FHAF COc1ncccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587769439 GDXJAYCOKCPDOD-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587773905 SCYVQCROANORAM-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF CCOC(=O)CCC[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587394143 QUEMWUGIUYRIKF-OAQYLSRUSA-N 368.433 3.566 0 1 FHAF Oc1nc(O)c2ccc(-c3cc(Cl)cc(OC(F)(F)F)c3)nc2n1 587368343 NZRNCQAPJNCSCN-UHFFFAOYSA-N 357.675 3.655 0 1 FHAF CCOC(=O)c1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587233069 GYFAZIXFSIIICC-UONOGXRCSA-N 373.453 3.900 0 1 FHAF COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)ccc1O 11990735 KNUWZJNVRUBDEL-LIWPIPGMSA-N 361.488 3.803 0 1 FHAF CCOC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 13681908 HFQQKGPTLBVXHQ-BGJLUCPFSA-N 358.478 3.789 0 1 FHAF O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2ccncc2)[nH]n1 15785462 SNJLUPOTYURWRD-UHFFFAOYSA-N 355.810 3.987 0 1 FHAF COc1ccccc1NC(=O)c1cc(O)nc2cc(Br)ccc12 1857633317 NOFLTIAMWKIXRF-UHFFFAOYSA-N 373.206 3.964 0 1 FHAF CSC1=NC=C2C(=Nc3n[nH]c(C)c3N=C2c2ccccc2Cl)N1 1857648589 MXUDIOKQCGEJOI-UHFFFAOYSA-N 356.842 3.742 0 1 FHAF CCCCc1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 3590225 AFWKCWSZFQLIMH-UHFFFAOYSA-N 369.469 3.836 0 1 FHAF COc1ccc2c(c1)NC(=O)/C2=C\c1cc2c([nH]1)CCC[C@@H]2CCC(=O)O 28704508 NUMXVKYVOSSCLA-HJPCULJESA-N 366.417 3.801 0 1 FHAF COC(=O)C[C@@H]1CC[C@@H]2[C@@H]3CC(=O)C[C@]3(C)CC[C@@H]2[C@]1(C)CC(=O)OC 2356410662 AFGHZESPMGURDO-AMHORPMHSA-N 364.482 3.541 0 1 FHAF CS(=O)(=O)c1ccc(Nc2nc([C@H](N)Cc3ccccc3)cs2)cc1 61895466 JUKUARWRMZDQNL-MRXNPFEDSA-N 373.503 3.533 0 3 FHAF CC(C)NC(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 28568406 OHQDRZHZEKGJSZ-KVIDMWFFSA-N 369.505 3.958 0 1 FHAF in-vivo COc1cc(CNCc2coc(-c3cccc(F)c3)n2)cc(OC)c1OC 72102045 RZCPFGSKJPDRRH-UHFFFAOYSA-N 372.396 3.796 0 1 FHAF CCN1CCN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CC1(C)C 95552184 XESVBRHBHNFPBB-NRFANRHFSA-N 350.506 3.956 0 1 FHAF CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc(OC)cc2)C1 95598053 CVHNTWBMRZIAAY-UHFFFAOYSA-N 351.446 3.918 0 1 FHAF COc1cc(-c2cc(=O)n3nc(-c4ccc(F)cc4)nc3[nH]2)ccc1Cl 143020656 FDIFDUKIGOJXJC-UHFFFAOYSA-N 370.771 3.553 0 1 FHAF Cc1nnc(-c2ccccc2-c2ccc(CN3C(=O)CSC3=O)cc2)o1 98083892 ZSFMHADTFYRUOU-UHFFFAOYSA-N 365.414 3.907 0 1 FHAF Oc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1Cl 141739927 GBBZFNLEBUUDPV-UHFFFAOYSA-N 371.759 3.542 0 1 FHAF COc1cccc(NC(=O)Oc2ccc3c(c2)CN2CCC[C@@H]2N3C)c1 95571955 NVDKATMGTBTTNE-LJQANCHMSA-N 353.422 3.678 0 1 FHAF CCOC(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 587092120 MPKBHERLOHCZAQ-UHFFFAOYSA-N 353.300 3.890 0 1 FHAF COc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Cl 587171799 BJOLWQSFNLEUAC-GOSISDBHSA-N 360.772 3.992 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ncc(Br)n1C)CC2=O 587458973 MJIOMHHWSFVHRH-ZDUSSCGKSA-N 365.227 3.547 0 1 FHAF Cc1cc(C)n(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587584052 YVULIVRRQHUTHL-MJGOQNOKSA-N 364.401 3.626 0 1 FHAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(N)c(N)cc2[nH]1 587044773 RASSZRMEHLFBDB-UHFFFAOYSA-N 353.209 3.718 0 1 FHAF COC(=O)[C@@H]1CCCc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587400144 ONSQJPAJIDQVGC-JTSKRJEESA-N 365.429 3.563 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@H]1Cn1cncn1)CC2=O 587474219 CXYOAYMIOJCQTJ-YCRPNKLZSA-N 369.465 3.921 0 1 FHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cnncc2[nH]1)c1cccc(Cl)c1 587070194 FQOUJRUTGABLQD-CYBMUJFWSA-N 373.844 3.815 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccccc1)CC2=O 587485490 WVEJEGHIICHANA-NRFANRHFSA-N 354.402 3.769 0 1 FHAF N=c1[nH]ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c12 587138366 GGVLOFKKAGYVBB-UHFFFAOYSA-N 366.327 3.681 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@]3(CCc4ccc(C(F)(F)F)cc43)c3cccc1c32 963016753 BXNMBIRXZXDQRD-ZUOKHONESA-N 372.390 3.949 0 1 FHAF CC[C@H](NC(=O)c1cnn2cccnc12)c1ccc(OC(F)(F)F)cc1 1772646020 HEJVBPWTLHJFHW-AWEZNQCLSA-N 364.327 3.509 0 1 FHAF COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)c4cccnc4)C3)ccc2c1 11816287 IRPHJMUSIJTARJ-HXUWFJFHSA-N 374.440 3.979 0 3 FHAF CC(=O)c1ccccc1C(=O)NC[C@H]1Cc2cccc(-c3cccnc3)c2O1 12079080 CYBDLTSJUQGNJZ-GOSISDBHSA-N 372.424 3.685 0 1 FHAF O=C(O)CSc1cc(NC(=O)Cc2ccccc2)c2ccccc2c1O 169348351 VYYAFYBWFONMEO-UHFFFAOYSA-N 367.426 3.903 0 1 FHAF COc1cccnc1C1CCN([C@@H]2CCCN(c3ccccn3)CC2)CC1 1857535931 HFRZVPRVDFLMIE-LJQANCHMSA-N 366.509 3.724 0 1 FHAF O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cc(F)c(O)c2ncccc12 1857645448 TZTVOCRNTLVDNF-UHFFFAOYSA-N 371.311 3.931 0 1 FHAF CCC[C@@H]1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21 1857656082 HNVGNPZHTCPRJL-LBPRGKRZSA-N 358.442 3.516 0 1 FHAF CCOC(C(=O)OC[C@@H]1CCCN1C)(c1ccccc1)c1ccccc1 2037237 TYROIZSRPIPTQK-FQEVSTJZSA-N 353.462 3.604 0 1 FHAF COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 3816740 NOVSCPBZVDJFFX-UHFFFAOYSA-N 373.409 3.679 0 1 FHAF Cc1cc(C)n2s/c(=N\C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)nc2n1 103196630 MOCBZKFSSHQOBA-XAIYEJPOSA-N 374.897 3.928 0 1 FHAF CC(C)Nc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cn1 26189124 SVIWNHSMBDYRJR-UHFFFAOYSA-N 364.858 3.837 0 1 FHAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4F)C[C@@H]2N3)cc1 100108853 RUQKMPOOEIYMMQ-FCHAAHNYSA-N 351.425 3.831 0 1 FHAF c1nc(NC[C@@H]2CCCOC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 66166561 NWQZSQAVEPZDBP-AWEZNQCLSA-N 363.417 3.864 0 3 FHAF CN(C)C(=O)C[S@](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 66077343 DCLSCDCSQMQJAA-HSZRJFAPSA-N 370.301 3.920 0 1 FHAF Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2CNC(=O)CN)cc1 26662242 AWIXVGUWZLQQBD-UHFFFAOYSA-N 374.510 3.573 0 1 FHAF Cc1ccccc1OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O 26956537 KMZIBRMKHUHDPP-UHFFFAOYSA-N 372.442 3.524 0 1 FHAF O=c1cc(N2CCOCC2)oc2cc(-c3ccc4ncccc4c3)ccc12 28530014 QOURUQAJLZECHW-UHFFFAOYSA-N 358.397 3.845 0 1 FHAF COc1cc([C@@H]2CN=C(c3cnc4ccccc4c3)O2)cc(OC)c1OC 27523551 VEZHDQIKDOMLDY-IBGZPJMESA-N 364.401 3.779 0 1 FHAF OCCCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28091873 KXICMPQIFSWGAF-UNMCSNQZSA-N 372.459 3.542 0 1 FHAF CC(C)=CCCC(C)=CCOc1ccc(C=C2NC(=O)[C@H](C)NC2=O)cc1 2356669303 WJYQOEOGXGQMEU-KRWDZBQOSA-N 368.477 3.734 0 1 FHAF CNCC[C@@H](c1ccccc1)n1c(=O)n(-c2ccccc2)c2ccccc21 34986369 LYBIOYSWEAGQEQ-FQEVSTJZSA-N 357.457 3.991 0 1 FHAF CN(C)Cc1nnc(-c2cccc(C(C)(C)C)c2)n1-c1cccc(O)c1 35900172 XTUDDOLKBSGVEE-UHFFFAOYSA-N 350.466 3.999 0 1 FHAF N#Cc1ccc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1 38444168 QWFYWHDACZQFFO-UHFFFAOYSA-N 354.369 3.993 0 1 FHAF CCc1cnc(-c2cnc(N3CCOCC3)nc2-c2cccc(C)c2)s1 82173292 XNEUJAIVPUVJBO-UHFFFAOYSA-N 366.490 3.975 0 1 FHAF Cc1nnc(-c2ccc(Br)cc2)n1Cc1ccc(CO)cc1 84848680 MJFBTDWSNRAPFW-UHFFFAOYSA-N 358.239 3.557 0 1 FHAF CCc1cc(Cc2c(C)cc(OCP(=O)(O)O)cc2C)ccc1O 45484881 WSVRWYNJPONDQC-UHFFFAOYSA-N 350.351 3.676 0 1 FHAF CC(C)[C@]12/C=C/[C@@](C)(O)CC(=O)C[C@@H](C)CC[C@@H](OC=O)[C@](C)(CC1)O2 238758222 KXWFDYNNCDYRQV-FIJKLRHYSA-N 366.498 3.578 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4C5=C(CC[C@@]4(C)[C@@H]2CC[C@H]1C3)OCC5 253673079 PFBDJHPYAAHUPA-NJXHAGHYSA-N 360.494 3.972 0 1 FHAF CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 261122778 JUTLWWKUPLIXDQ-CYWCHRQTSA-N 358.482 3.888 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N)c(Br)c1)O2 587377161 LKOKXIRQQDGIID-QGZVFWFLSA-N 361.239 3.803 0 1 FHAF O=C(O)c1cc2ccccc2c(-n2ncc3ccc(Cl)cc3c2=O)c1O 587652799 KSDVRIVPBXKYQM-UHFFFAOYSA-N 366.760 3.596 0 1 FHAF COC(=O)c1cccc(-c2ccccc2-c2ccc3c(O)nc(O)nc3n2)c1 587560001 SNJPBCFSCGUYLZ-UHFFFAOYSA-N 373.368 3.557 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(C2CC2)N1 587739150 GBYQLZWOEVOIDZ-XMDPKCGCSA-N 353.279 3.803 0 1 FHAF COc1ccc(-c2nc3ccccc3[nH]2)c(I)c1 587180404 QDNYRTOCGDAHTE-UHFFFAOYSA-N 350.159 3.843 0 1 FHAF COC(=O)c1occc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587826956 HGARZABJUYPNEV-RTHLEPHNSA-N 368.202 3.591 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)O2 587398012 DHNMMXGCZCGDAZ-FHJLPGHOSA-N 362.473 3.823 0 1 FHAF CCOc1ccccc1[C@](N)(c1nc2cncc(Cl)c2[nH]1)C(F)(F)F 587093418 UHSYILIAKDZKEW-HNNXBMFYSA-N 370.762 3.775 0 1 FHAF N[C@@]1(c2nc3cc(Br)c(F)cc3[nH]2)C[C@@H]1c1ccccc1F 587155195 IMMLQBZLWDJSDF-ABKXIKBNSA-N 364.193 3.945 0 1 FHAF CC(C)OC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792649 LTDBDRDNSSDBTQ-QFYYESIMSA-N 358.251 3.679 0 1 FHAF CCS(=O)(=O)c1ccc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2c1 587929711 DFBGPDZAWZPPDL-ZDUSSCGKSA-N 358.463 3.711 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CO)cc2)N1 587825142 GCKBEAFMFRMTGK-BTDLBPIBSA-N 350.231 3.704 0 1 FHAF C[C@@]1(c2ccc(C(=O)O)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614987 FAENTSQLJKGJFE-UZLBHIALSA-N 366.325 3.560 0 1 FHAF CCOC(=O)[C@@]1(c2ccncc2)CCc2nc3cccc4c3c(c2C1)CC4 587213498 WNRYZVHOYYFPFI-QHCPKHFHSA-N 358.441 3.718 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cccnc32)N1 587778249 LWEHVQKUMGSRSJ-BTDLBPIBSA-N 363.230 3.544 0 1 FHAF COc1cc(C)nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587772059 NEVQJVPLRUDIQO-VVVCHXIZSA-N 365.246 3.924 0 1 FHAF COC(=O)/C(=C\N(C)C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105035 ZQBPCLJWGRQVRE-ATVHPVEESA-N 358.397 3.522 0 1 FHAF O=C(O)c1cc(F)cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587075113 CPTFIURPZQPNEO-CQSZACIVSA-N 359.744 3.671 0 1 FHAF COC(=O)[C@]1(C)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586993243 VWOHIZWVCBMFOT-HSZRJFAPSA-N 373.408 3.820 0 1 FHAF COc1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2c1 587060526 GWKMSKSMMCWZKQ-UHFFFAOYSA-N 351.797 3.761 0 1 FHAF O=C(NCc1ccccc1)N1CCC(CO)(CCc2ccccc2)CC1 12075507 JLTNSUPMHSRFHA-UHFFFAOYSA-N 352.478 3.604 0 3 FHAF Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ocnc2C)cc1C 12745464 UTUDSHWPIGHZMZ-QGZVFWFLSA-N 350.422 3.593 0 3 FHAF CCCC[C@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 13740710 XPLDMBFWNMAYJN-YYFZDKIDSA-N 351.494 3.733 0 1 FHAF COc1ccc(-c2c(O)c(C=O)cc3ccc(O)c(OC)c23)cc1OC 14883497 KITJAFVSMYZBFB-UHFFFAOYSA-N 354.358 3.756 0 1 FHAF biogenic,in-vitro CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cccn3CC)cc1)N2 169372711 TUTFNCHCPZEQJC-JTJHWIPRSA-N 352.478 3.962 0 1 FHAF CCC(=O)Oc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC 1857563922 YRMHZEIZXABQCD-UHFFFAOYSA-N 353.374 3.885 0 1 FHAF Cc1c(-c2c(O)ccc3c(C)cc(=O)oc23)c(=O)oc2cc(O)ccc12 205112527 AMBHPBVXEMAFNL-UHFFFAOYSA-N 350.326 3.594 0 1 FHAF O=C(NC1CCCCC1)N[C@H]1CCC[C@@H](NC(=O)NC2CCCCC2)C1 13493784 HWRAOPDAPKUDKH-HDICACEKSA-N 364.534 3.561 0 1 FHAF CC(C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 2469314 RGPQSUQEYRDNEV-WOJBJXKFSA-N 361.445 3.603 0 1 FHAF CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1ccc(C)cc1 2472462 ZYXUZKQEGCSOKR-APWZRJJASA-N 373.474 3.761 0 1 FHAF COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@H]12 3986940 YEAODHGGHIRRKE-MVWRLGRASA-N 365.495 3.524 0 1 FHAF CCN1CCC[C@H]1CNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4940316 ZUJAQNXITNYJQA-HNNXBMFYSA-N 371.912 3.981 0 1 FHAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 11592664 DBEPLOCGEIEOCV-IRNKEPLNSA-N 372.553 3.815 0 1 FHAF CC(C)NC[C@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 13731051 PYNHMXVUQLOMJY-HNNXBMFYSA-N 357.479 3.543 0 1 FHAF COc1cc(Br)c2c(c1)CCN(C)[C@@H]2Cc1ccccc1O 13805160 MKINKQXZCCTYOJ-MRXNPFEDSA-N 362.267 3.935 0 1 FHAF CC(=O)OCC1=C2C(=O)C[C@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@@H]2CCC1 15158773 QDAYMNVOZSZZFY-UBTUTIANSA-N 372.417 3.523 0 1 FHAF biogenic CN[C@H](C)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 27326113 NSMHSGBIVLPZMD-GFCCVEGCSA-N 351.841 3.552 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1cccc([C@@H](C)N(C)C)c1)C2 28335342 GIDXPSSLLTWPAM-ZUOKHONESA-N 355.434 3.513 0 1 FHAF CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)nn(C)c1=O 34842516 OORLQBMJWSBLOY-UHFFFAOYSA-N 371.220 3.630 0 1 FHAF COc1c(F)cc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1F 45202774 WOEKXZKYVQIOAS-DIFFPNOSSA-N 355.812 3.881 0 1 FHAF Cc1ccccc1[C@@H]1C=C(c2ccc(Br)s2)Nc2nnnn21 101089847 FUBKBZPDZXSXHA-LBPRGKRZSA-N 374.267 3.862 0 1 FHAF CCC1(CC)C[C@H](CCNC(=O)c2ccc(Br)cc2)OC1=O 103280784 WWUJJNYQCGKCDF-AWEZNQCLSA-N 368.271 3.691 0 1 FHAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccc(O)c1 103530920 BWZIYIZWSFRHBZ-ZDUSSCGKSA-N 355.419 3.824 0 1 FHAF CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(OC)c1 103701521 PKECBWVMFAHWHY-VZCCSQPZSA-N 365.389 3.862 0 1 FHAF Oc1ccc2ncn(-c3ccc(Br)cc3C(F)(F)F)c2n1 118269635 UVRCZMSFJRSNGG-UHFFFAOYSA-N 358.117 3.907 0 1 FHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cnc3[nH]ccc3c2)n1 142080185 MHOMYGMYJSCKJN-IUODEOHRSA-N 366.425 3.507 0 1 FHAF O[C@H]1CCCC[C@@H]1NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F 204414593 WBPXIZGHZJSPSC-HOCLYGCPSA-N 369.362 3.695 0 1 FHAF Cc1cn(-c2cccc(-c3c[nH]c4ccc(-c5nnc(N)s5)cc34)n2)cn1 204748134 NOVOUDRJIQLPML-UHFFFAOYSA-N 373.445 3.825 0 1 FHAF COC(=O)/C=C(\C)CC[C@@H]1[C@@](C)(O)C[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 238754386 MDVKJBFHLSNOIH-BVQPKLLISA-N 352.515 3.850 0 1 FHAF CCCCCNc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](O)CC2)n1 261088740 DBWBCGYTGWUQRF-WKILWMFISA-N 355.486 3.856 0 1 FHAF CCOC(=O)CN1CC[C@@]2(c3ccccc3)c3cc(O)ccc3C[C@H]1[C@H]2C 299846930 LTMGPVJEAVIZHN-XORNHQRDSA-N 365.473 3.508 0 1 FHAF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@@H](O)c4ccccc4)[C@H]3C[C@@H]12 299884058 SLDUYXKXVCDJLB-WRYYQEFWSA-N 369.505 3.624 0 1 FHAF Nc1ncnc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc12 586975264 LDOHMIOREWBURA-UHFFFAOYSA-N 359.014 3.671 0 1 FHAF Cc1nn(Cc2nc3c(C)cnc(Cl)c3[nH]2)c(C)c1Br 586979214 TYRHGNYUEMPMCU-UHFFFAOYSA-N 354.639 3.544 0 1 FHAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(N)c(N)cc2[nH]1 586995485 HSGSIUVUNMNWIW-UHFFFAOYSA-N 361.243 3.804 0 1 FHAF CCOc1ccccc1[C@@](N)(c1nc2cncc(Cl)c2[nH]1)C(F)(F)F 587093419 UHSYILIAKDZKEW-OAHLLOKOSA-N 370.762 3.775 0 1 FHAF Cc1cc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c(C)n1 587132045 HYQCSOWNHSEASH-LLVKDONJSA-N 352.385 3.544 0 1 FHAF COc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1OC 587154403 FDHVCCBWQOQZNK-IBGZPJMESA-N 355.369 3.510 0 1 FHAF CCCc1nc(-c2nc3cc(C(=O)O)ccc3[nH]2)nn1-c1ccccc1F 587155738 FZXBRRAPQRHSEF-UHFFFAOYSA-N 365.368 3.600 0 1 FHAF CCCc1nc(-c2nc3nc(Cl)ccc3[nH]2)nn1-c1ccccc1F 587156330 LFUDDLXJPYXBKX-UHFFFAOYSA-N 356.792 3.951 0 1 FHAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587196343 SWMBTSQBKMIHOT-INIZCTEOSA-N 364.493 3.613 0 1 FHAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cccc(Cl)c2[nH]1 587201714 BLEHGUDTBJKBBU-CQSZACIVSA-N 373.796 3.659 0 1 FHAF CC(=O)Nc1ccc2c(c1)CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587392150 XLCGBHRKLTZPRL-OAQYLSRUSA-N 350.418 3.733 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433757 VXPJMOSMGFHRKM-PXARDIRTSA-N 373.449 3.649 0 1 FHAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587447145 MDXUOZLWPUSLRV-AOMKIAJQSA-N 366.413 3.720 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)C(C)(C)C)CC1)CC2=O 587479524 UFQUMYWRTFURCD-UHFFFAOYSA-N 359.466 3.717 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)O)c2ccccc21 587490115 QNUTXVRMSVBUOK-BTYIYWSLSA-N 352.386 3.777 0 1 FHAF C[C@]1(c2cnc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551106 CZRRTESWRMNYCX-QFBILLFUSA-N 368.776 3.713 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(F)ccc1F 587567071 BXBWQKWMEGJITA-HNAYVOBHSA-N 355.296 3.768 0 1 FHAF COc1ccnc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587585810 GMXLRDZOSVRQMI-NQIIRXRSSA-N 363.369 3.673 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1[nH]c(O)cc12 587588551 LCBZIDQZMYMCAB-WIYYLYMNSA-N 363.369 3.619 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cccnc2[nH]1 587592892 ZALRIPCUSHKRFH-XLIONFOSSA-N 358.353 3.971 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2ccccc12 587593945 JOYDNVADFLNOFC-LAUBAEHRSA-N 358.353 3.971 0 1 FHAF Cc1ccc(-c2noc(-c3c(C)[nH]c4ccc(S(C)(=O)=O)cc34)n2)cc1 587651749 YEBTVRJTMRMYII-UHFFFAOYSA-N 367.430 3.905 0 1 FHAF CCc1nccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774929 OJPPZVFJVIFOEJ-ABKXIKBNSA-N 350.235 3.564 0 1 FHAF COC(=O)[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587806021 IIMGBVCTNAJKJS-YALKKGATSA-N 370.262 3.537 0 1 FHAF COCc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587856652 YKOPKKOBEOSNDY-ANRSDYALSA-N 371.275 3.815 0 1 FHAF COc1ccc(/C=C/Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c(OC)c1 587930318 TXTGPQXZLHWVIS-ONEGZZNKSA-N 364.327 3.596 0 1 FHAF Cc1c[nH]c(C2(c3[nH]cc(C)c3C)NCCc3c2c(C(C)C)nn3C)c1C 962909439 MIQPTPLSDLYVRE-UHFFFAOYSA-N 365.525 3.871 0 1 FHAF CCCNc1nc(SCCC)nc2c1ncc(=O)n2Cc1ccccc1 1857764681 QTVLMCKIMLUKEX-UHFFFAOYSA-N 369.494 3.559 0 1 FHAF COC(=O)[C@]1(C)CCC[C@]23C(=O)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@H]21)[C@@H]43 2356614487 WWIJLRGEJWUHJF-DAJKCEBUSA-N 358.434 3.987 0 1 FHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3C[C@]2(C)[C@@H]1C 2356744514 NPRCUKSJBBVTGN-PFIKMOSVSA-N 362.466 3.927 0 1 FHAF CN1C(=O)c2ccccc2Sc2cc(N[C@H]3CC[C@H](O)CC3)ncc21 2382225545 DUURQLOTXXAKPM-JOCQHMNTSA-N 355.463 3.538 0 1 FHAF COc1cc(CNC(=O)c2ccc3oc(C(C)C)nc3c2)cc(OC)c1 12574095 MWHRBXXVYGYXDQ-UHFFFAOYSA-N 354.406 3.898 0 3 FHAF CC(=O)N[C@@H](c1ccccc1)c1nc(-c2cccc(C(=O)O)c2)cs1 61906264 BGEGECAPZACELD-KRWDZBQOSA-N 352.415 3.734 0 3 FHAF COc1ccc2c(c1OC)[C@H](O)N(C)c1c-2ccc2cc3c(cc12)OCO3 13458975 RATMHCJTVBHJSU-NRFANRHFSA-N 365.385 3.693 0 1 FHAF biogenic O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1)N1C=CCC1 13756476 CAVWQUMKHKUJAO-ZPAWYTMASA-N 364.489 3.696 0 1 FHAF COc1cc(O)c(CC=C(C)C)cc1[C@@H]1COc2cc(O)cc(O)c2C1=O 14762864 CFKSDWBGVOZNHF-HNNXBMFYSA-N 370.401 3.680 0 1 FHAF biogenic O=C(O)C(=O)CC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 28361779 CBRIPJMCSCGSGW-UHFFFAOYSA-N 358.293 3.540 0 1 FHAF CC(C)NC(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568702 FKSICUOFJYPFSV-QYASJMCTSA-N 371.521 3.750 0 1 FHAF in-vivo CN(C(=O)Cc1cs/c(=N\c2cccc(F)c2)n1C)c1ccccc1 29124790 XOLZVWFPMDTUOJ-VZCXRCSSSA-N 355.438 3.664 0 1 FHAF C[C@@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 31861144 JKQJZONEAFJYTO-HBUDHLSFSA-N 353.418 3.703 0 1 FHAF N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 36216169 UMFWCDGSRAJLJX-FPOVZHCZSA-N 374.488 3.700 0 1 FHAF CC[C@H](COC)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C 45245604 YTAPRWQKBIKNCJ-OAHLLOKOSA-N 369.469 3.586 0 1 FHAF Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1-c1nc2ccccc2o1 53230880 DFWNKJQCTALOPW-UHFFFAOYSA-N 361.405 3.687 0 1 FHAF CN1C(=N)N[C@@](c2cccc(-c3cccc(Cl)c3)c2)(C2CCC2)C1=O 84597097 VZGLDYSDFDRZHL-HXUWFJFHSA-N 353.853 3.999 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](NS(C)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O 84687224 OWLJBFPMVOUGPP-WSVRAQSBSA-N 367.555 3.516 0 1 FHAF O=C(N[C@H]1CCC[C@@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1cccnc1 95591152 UHCAVFLNPSPQFM-PXNSSMCTSA-N 369.852 3.623 0 1 FHAF CO/C(O)=C1/C(C)=NCC[C@@H]1c1ccccc1I 100030451 TUQWSIBHAZDXPG-LYZGCBJASA-N 357.191 3.655 0 1 FHAF Cc1ccc([C@@H](C)N2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)cn1 101366445 FFCXAJUMJUOFPK-KBMWQNTOSA-N 365.477 3.624 0 1 FHAF CC(C)(C)OC(=O)n1cc(-c2ccc(NC(=O)c3ccco3)cc2)nc1N 103267318 UISKLKRCGRFVKZ-UHFFFAOYSA-N 368.393 3.761 0 1 FHAF O=C1OC[C@H](C2CCN(c3ccccc3)CC2)N1c1ccc2[nH]cnc2c1 116194474 ZTCQMGYVXSYDJK-HXUWFJFHSA-N 362.433 3.805 0 1 FHAF CCc1nc(Nc2ccc(CC(N)=O)cc2)nc(-c2cccc(Cl)c2)n1 143438327 GVEYRZKCFLDNIU-UHFFFAOYSA-N 367.840 3.526 0 1 FHAF NC(=O)[C@@H](N)Cc1c[nH]c2cc(-c3ccc(Oc4ccccc4)cc3)ccc12 146927667 KEOBCIPCYYWVHT-NRFANRHFSA-N 371.440 3.982 0 1 FHAF CC(C)=CCC/C(C)=C/COc1ccc(/C=C2\NC(=O)[C@H](C)NC2=O)cc1 149709349 WJYQOEOGXGQMEU-ITZIZTMESA-N 368.477 3.734 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc(F)c1F 169723605 IOZRAQBOYNWLEQ-GOEBONIOSA-N 365.376 3.539 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4cccnc4)ncc23)ccn1 205447425 ZILJUJOLNANMGB-CYBMUJFWSA-N 373.420 3.606 0 1 FHAF O=S(=O)(/C=C\c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1 586925419 ZKHCTHCNFDEMDW-SREVYHEPSA-N 354.218 3.709 0 1 FHAF COC(=O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979895 XXOMBFXUNFIUOI-UHFFFAOYSA-N 366.602 3.827 0 1 FHAF COc1cc(OC)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587041725 PBSRRRHFMXDKCA-RDJZCZTQSA-N 355.463 3.526 0 1 FHAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587067787 PFTAJWCQXGXHCA-SNVBAGLBSA-N 357.797 3.996 0 1 FHAF COc1c(F)ccc(F)c1-c1nc2cc(Br)c(C)nc2[nH]1 587133244 QLLYFSOCRKXGKF-UHFFFAOYSA-N 354.154 3.983 0 1 FHAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(NC(=O)OC)cc3)nc2c1 587244244 YWNDGRIKVWPIHL-UHFFFAOYSA-N 353.378 3.514 0 1 FHAF COC(=O)c1ccc(Oc2ccc3nc(-c4c[nH]ccc4=N)[nH]c3c2)cc1 587249280 LEBLBDQKUQDEIL-UHFFFAOYSA-N 360.373 3.616 0 1 FHAF Nc1cc(C(=O)O)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587249948 UFDHUKUPQKUXFB-UHFFFAOYSA-N 366.602 3.926 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433755 VXPJMOSMGFHRKM-CMPZQBNXSA-N 373.449 3.649 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)NC(=O)OC(C)(C)C)CC2=O 587467697 BSBPUAUAMDHENV-INIZCTEOSA-N 363.454 3.982 0 1 FHAF NC(=O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587514657 HWHAVGWFMIDNON-NRFANRHFSA-N 374.440 3.712 0 1 FHAF COc1ccccc1C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599695 HKOSFNTWQKJHLX-UXHICEINSA-N 362.381 3.974 0 1 FHAF CC(C)[C@@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587614257 BQJFJTJFLOKDOA-BBTUJRGHSA-N 354.402 3.928 0 1 FHAF COc1ncccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587769433 GDXJAYCOKCPDOD-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF CCOC(=O)C1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587797055 LOQDDCLKTSMLBR-QLJPJBMISA-N 370.262 3.681 0 1 FHAF COCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587827500 JTFNEOUXYJGVMR-ABKXIKBNSA-N 354.219 3.951 0 1 FHAF COC(=O)c1cc(-n2c(OC)cc(C)c2O)c(Cl)cc1Br 587937058 MYINBKNMIRGSCF-UHFFFAOYSA-N 374.618 3.702 0 1 FHAF CN1C(=O)C[C@H]2CN[C@]3(CC4(CCC4)Oc4ccccc43)c3cccc1c32 963018891 CWZIGNYVZRCANQ-WNSKOXEYSA-N 360.457 3.689 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]31CC[C@H]2SCCS[C@@H]21 963061947 ZQPYXHOFPHHLLU-MNEFBYGVSA-N 358.532 3.595 0 1 FHAF C[C@@]1(c2ccc(O)c(C(=O)O)c2)NCCc2c(Cl)cc(Cl)cc21 963122291 NZRGJGPDLREKDO-KRWDZBQOSA-N 352.217 3.806 0 1 FHAF Cc1cc2ncccc2cc1[C@H](C)n1cnc2ncc(-c3cnn(C)c3)nc21 1857593460 VGDRGIXONWUMIL-AWEZNQCLSA-N 369.432 3.693 0 1 FHAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 2356319197 MFBMITFJMXZMIP-NSHGMRRFSA-N 360.542 3.816 0 1 FHAF O=C(c1ccc(Cl)cc1Cl)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 74377663 OAOJKNYWNGHRMK-GOEBONIOSA-N 361.228 3.869 0 3 FHAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 775053 FAPAFDZUARWNFQ-CQSZACIVSA-N 354.381 3.648 0 1 FHAF Cc1cc2c(cc1N)[C@H](C)C1(CCC(=O)N2Cc2ccccc2)OCCO1 1608259 TUIUPAJXRDRHIG-INIZCTEOSA-N 366.461 3.751 0 1 FHAF COc1ccccc1N(C(N)=O)c1nc(-c2cccnc2)nc2ccccc12 2507486 RYVOQJCDBWPKGX-UHFFFAOYSA-N 371.400 3.917 0 1 FHAF in-vitro CCN(CCCCCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Cc1ccccc1 13738608 PFRKWGPEPSNREK-BGYRXZFFSA-N 356.510 3.854 0 1 FHAF COc1cc([C@@H]2CCc3ccc(OC)c(OC)c3O2)cc(OC)c1OC 14643196 PAGHIDUEYGMXRM-AWEZNQCLSA-N 360.406 3.796 0 1 FHAF endogenous,in-man CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1Cl 29467476 MGCMOXPNTLBMKE-UHFFFAOYSA-N 355.751 3.613 0 1 FHAF O=C(CCc1cn2c(n1)sc1ccccc12)Nc1ccccc1C(=O)O 40420927 FRKCVFRGEZCWGJ-UHFFFAOYSA-N 365.414 3.819 0 1 FHAF O=C(O)c1nnc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)o1 73196691 JPYDFQSDFQSWJU-OAHLLOKOSA-N 368.780 3.777 0 1 FHAF Cc1cc(C(F)(F)F)nn1-c1ccc(NCc2c(F)cncc2F)nc1 149826164 LJGOMWPSOZEKFN-UHFFFAOYSA-N 369.297 3.880 0 1 FHAF CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C1(O)CCCC1)/C=C/C=C3CO 169296446 HTKFJZJCVCZWBR-YEEBAPROSA-N 372.505 3.787 0 1 FHAF COc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 224559346 JVNVYRKQSGTWBK-UHFFFAOYSA-N 367.384 3.723 0 1 FHAF Cc1c(NC(N)=O)cccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587241080 YUZAPNQVWZJHQS-UHFFFAOYSA-N 350.300 3.928 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(N)cccc21 587392477 ZWSIYHDMHDYRAE-HSZRJFAPSA-N 370.408 3.613 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCc4c1ccc(OC)c4Cl)[C@@H](C2)C3=O 587423024 SKECANCTRSUTKK-VBKZILBWSA-N 356.805 3.946 0 1 FHAF COCc1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587442773 LQHPUTBNLZDKNT-IERDGZPVSA-N 354.402 3.513 0 1 FHAF C[C@H](Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(N)=O 587512580 YVCDKIYJWNLZEG-RNODOKPDSA-N 365.429 3.525 0 1 FHAF C[C@]1(c2ccc(Cl)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552470 RRGNXSMGAKZUBB-QFBILLFUSA-N 368.776 3.713 0 1 FHAF CCCn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587582083 NUSJBKUQTRENOJ-NQIIRXRSSA-N 364.401 3.876 0 1 FHAF C[C@@H]1C[C@]2(CC[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587606724 FNIRHRSWVMPXLM-SMPSEYGHSA-N 368.385 3.613 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(N)ccc32)N1 587747875 SRLOINOGVBZTNV-MLCYQJTMSA-N 361.258 3.894 0 1 FHAF Cc1nccn1CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587753857 KAWABWSUZOJCFH-APPDUMDISA-N 366.278 3.933 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCn2cccn2)N1 587759082 KDFFFTISVBGRCN-ZBEGNZNMSA-N 352.251 3.624 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C3CC3)nc2)N1 587772171 DTCFXWJWYQGWAV-JDNHERCYSA-N 362.246 3.879 0 1 FHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(C)cccc3OC)[nH]c2c1 587787878 ZRSJMECTQLESOX-UHFFFAOYSA-N 373.478 3.577 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn3nccc3c2)N1 587789861 AUDQDQVDFTYHFN-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CSCCSC2)N1 587855236 HYIOSBLCXQFUKZ-SECBINFHSA-N 362.333 3.798 0 1 FHAF COc1cccc2cc3c(nc12)[C@@H](c1nccn1Cc1ccccc1)NCC3 963044888 FFCDVCXWRBYUKK-QFIPXVFZSA-N 370.456 3.723 0 1 FHAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@H](O)[C@H]3C(=O)O 1857562163 FJKHSLMOGPRETF-RHYGQGEISA-N 364.482 3.546 0 1 FHAF CCCCNC(=O)c1c(NC(=O)c2ccccc2C)nc2ccc(C)cn12 1857610600 KLAIRRDPSIJWBX-UHFFFAOYSA-N 364.449 3.733 0 1 FHAF COc1ccc(-n2nnc3c2CC[C@]2(C=Cc4cc(C)ccc4O2)C3)cc1 1857620763 AGRMOPPJNDZTMJ-JOCHJYFZSA-N 359.429 3.918 0 1 FHAF CCCCN=c1cc(C(C)C)c(C(=O)NC2C3CC4CC(C3)CC2C4)n[nH]1 1857636763 PQKMWVKICOAYRE-UHFFFAOYSA-N 370.541 3.788 0 1 FHAF NC(=O)c1c(F)ccc(OCc2cc(-c3cccc(Cl)c3)on2)c1F 1857764586 QKBXJAHHPCBLMR-UHFFFAOYSA-N 364.735 3.951 0 1 FHAF COc1ccc(-c2cnn(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1F 1857771914 DRNOFGVIBWROLB-UHFFFAOYSA-N 372.396 3.928 0 1 FHAF O=C(NC1CCNCC1)C12C[C@H]3C[C@@H](C1)CC(c1ccc(F)cc1)(C3)C2 1911582702 QOCMCKWVKBTUEW-MBWAJUJLSA-N 356.485 3.532 0 1 FHAF CSC=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C1 2356641179 HFJJFBMNBYVNKQ-MMBVQEGNSA-N 350.480 3.863 0 1 FHAF COc1cc(OC)c2c(c1C=C[C@H](C)O)O[C@@H](c1ccccc1)CC2=O 2356668665 XNQZHTLUJNFMIV-SUMWQHHRSA-N 354.402 3.804 0 1 FHAF CC[C]1C=CN(CC(=O)c2ccc(I)cc2)C=C1 2356834903 KGXMRCAAWYGIBG-UHFFFAOYSA-N 352.195 3.801 0 1 FHAF CC1(C)CCC[C@@]23C[C@@](CC(=O)c4cc(O)ccc4O)(CC[C@H]12)C(=O)O3 2356384337 FXMUSHRKJDUFQJ-JRGCBEDISA-N 358.434 3.963 0 1 FHAF CCOc1ccc(NC2=NS[C@H](Nc3ccc(OCC)cc3)N2)cc1 103198117 YVLYEAXTSUBKTH-GOSISDBHSA-N 358.467 3.899 0 1 FHAF CN(C)C(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN32 100912691 KZGZRFUHUPKRGX-YFQYHOFRSA-N 365.304 3.948 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@@H]2CC[C@H]1N2 27549978 HBQKMASEGGGNBY-MTQWCTHYSA-N 352.478 3.788 0 1 FHAF O=C(O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1 29225013 FLSBEAAIMAWTJI-UHFFFAOYSA-N 350.374 3.617 0 1 FHAF COC(=O)C1=CCC[C@H]([C@@H]2C[C@@H](c3ccoc3)OC2=O)[C@@]1(C)CCC(C)=O 2356715833 SUFYVCNRYHWBMC-ONFYXGJMSA-N 374.433 3.769 0 1 FHAF CCN(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 82216480 NRWDMFCEIYCWIC-UHFFFAOYSA-N 364.424 3.987 0 1 FHAF CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 82141571 IPHMQMMYYPEPHI-GASCZTMLSA-N 370.472 3.857 0 1 FHAF CC[C@@H](C)[C@H]1COc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 45349193 XEJJTQACAMZKNB-VQIMIIECSA-N 359.491 3.993 0 1 FHAF CO[C@H]1C[C@H](CC[C@@]2(C)[C@H](C)[C@H](O)C[C@@]3(C)C(CO)=CCC[C@@H]32)CO1 140073270 GOCXWVDTBKRQRK-ZVBNQNLDSA-N 352.515 3.518 0 1 FHAF biogenic COc1ccc([C@H]2SCC(=O)N2c2ccc3c(C)cc(=O)[nH]c3c2)cc1 96905462 UPPZNVKCZYIPRQ-HXUWFJFHSA-N 366.442 3.624 0 1 FHAF Cc1ccnc2c1[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1Cl)CO2 146618417 OCRHQLBYMMEDKB-GFCCVEGCSA-N 370.758 3.855 0 1 FHAF CO[C@@]1(C(C)(C)O)C=C[C@](C)(O)CCC=C(C)CC(=O)C[C@@H](C)CC1 299807115 PUAPJGQBSUWLAY-IOMROCGXSA-N 352.515 3.955 0 1 FHAF CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CN)nc(-c2ccncc2)n1 35415852 DHSUFIFRCXENTO-OTWHNJEPSA-N 365.525 3.579 0 1 FHAF biogenic Cc1csc([C@@](O)(Cc2nc3ccc(F)c(F)c3[nH]2)C(F)(F)F)n1 587094113 KGOAGOAEEDSWBE-ZDUSSCGKSA-N 363.311 3.599 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(CC(F)F)c1 587557763 SULBGIRINCNKMX-QFBILLFUSA-N 372.327 3.557 0 1 FHAF CCOc1cc2c(cc1[C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)O[C@@H](C)C2 587455968 RMIBYDYOBZFDEO-WPINSWFRSA-N 366.413 3.906 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 586915727 HAOXUJCTCMCNDR-ZMZPIMSZSA-N 359.788 3.967 0 1 FHAF Cc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587587290 MGGCBAGNCMKFFF-GHTZIAJQSA-N 362.385 3.810 0 1 FHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc4[nH]ncc4cc3[nH]2)s1 587023718 VFILVHCZNMGLKP-UHFFFAOYSA-N 356.411 3.910 0 1 FHAF Oc1nc(O)c2ccc(-c3c(Cl)ccc(Br)c3F)nc2n1 587368302 MXGHYPABQUJRLW-UHFFFAOYSA-N 370.565 3.658 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(Cl)n1 587552008 MCVPZNOTTCEIMG-MAUKXSAKSA-N 369.760 3.849 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 587945970 HVNKBGCRYKBDOI-INIZCTEOSA-N 364.445 3.950 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C[C@H]3C[C@@H]1C[C@@](C(=O)O)(C3)C2 587491439 VXTCNCFPVNQSPP-COCCLCPSSA-N 370.445 3.960 0 1 FHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(C(=O)O)ccc2[nH]1 587147523 PNQYFVSTDDGHGV-UHFFFAOYSA-N 354.316 3.607 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccncc12 587586031 ASHOXZZLMUMBTG-NQIIRXRSSA-N 358.353 3.971 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C(C)(C)C)nc3[nH]1)C2 587246009 CKBYTEQHEKRTKI-OAQYLSRUSA-N 350.466 3.607 0 1 FHAF CCOc1ccc(CN(C)C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587387670 RKFWPYOEOSFCEO-HXUWFJFHSA-N 354.450 3.744 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(Br)c1N)[C@@H](C2)C3=O 587414930 ZAZCVMCDKIQHST-GTNSWQLSSA-N 360.207 3.529 0 1 FHAF Cc1sc2c(c1C)CCN[C@@H]2c1cc(=O)c(OCc2ccccc2)c[nH]1 963032779 VIOKMHVNABQYSD-HXUWFJFHSA-N 366.486 3.867 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1ccc2c(c1)cc(O)n2C 963632043 DYUJOIRHSGETKW-MCMMXHMISA-N 366.461 3.699 0 1 FHAF C[C@@]1(CCCN2C(=O)c3ccccc3C2=O)NCCc2cc(Cl)ccc21 963390861 NSWPZHKWNHDHTO-NRFANRHFSA-N 368.864 3.777 0 1 FHAF COc1ccc2c(c1OC)[C@](CCN(C)C)(c1cccs1)N(C)[C@@H](C)C2 962626902 GHNSLWILRQOOTK-BTYIYWSLSA-N 374.550 3.837 0 1 FHAF Cc1cccc2c1[C@]1(C(=O)N2)c2ccsc2CCN1Cc1cccn1C 962376131 UARXJIAVAVBBSU-NRFANRHFSA-N 363.486 3.649 0 1 FHAF CSc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1O 1857605144 HBABVLLFMUVCRT-WMZJFQQLSA-N 360.254 3.543 0 1 FHAF O=C(Nc1ccc2nc(-c3ccc(F)c(F)c3)cn2c1)N1CC[C@H](F)C1 1772617781 KSUYZSYLSXSXOJ-LBPRGKRZSA-N 360.339 3.855 0 1 FHAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@H]2CCC[C@@H]2C)c1O 1772601669 PZIWNZKMZJYCNO-JQWIXIFHSA-N 374.890 3.538 0 1 FHAF CC(C)(C)[C@H](NC(=O)/C=C/c1ccccc1)NC(=S)NC1CCCCC1 1772628947 IACAZXFDZOXPOC-JUWJPQTCSA-N 373.566 3.985 0 1 FHAF COc1ccc(OC)c(N2C(=O)N(c3ccc(C)cc3)C(=N)C2=S)c1 1772584076 KGRVNIRLLZUAMK-UHFFFAOYSA-N 355.419 3.763 0 1 FHAF N=C(N)c1ccc2c(c1)ncn2CC(=O)Nc1ccc(-c2ccccc2)cc1 12354951 YZVBWIJRSKWKQS-UHFFFAOYSA-N 369.428 3.626 0 1 FHAF O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cccc(F)c1)[C@@H]23 169333610 KBQRSCLEPBFVGC-RQGSJKACSA-N 374.500 3.755 0 1 FHAF CCOc1ccc(-n2c(O)cc(Sc3nc(C)cc(C)n3)c2O)cc1 169685461 RMGUDEJOXAUCMU-UHFFFAOYSA-N 357.435 3.845 0 1 FHAF COc1ccccc1S[C@H]1CC(=O)N1C(=O)N[C@@H](C)c1ccccc1 1857559931 NHIBOTVVFUWMDN-UGSOOPFHSA-N 356.447 3.817 0 1 FHAF FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(Cc3ccccc3)cn2)c1 1857649094 CFLXWMJCWGKVFJ-UHFFFAOYSA-N 370.338 3.797 0 1 FHAF CN(C)Cc1ccccc1Oc1ccc(I)cc1N 13584118 FXPKVPDERQMXMV-UHFFFAOYSA-N 368.218 3.727 0 1 FHAF CC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCc2ccccn2)c1C 2929482 XRRKVHSSBWFGHV-UHFFFAOYSA-N 361.445 3.768 0 1 FHAF C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356451601 LDSAFYKZSKWMNQ-NXJKMJDKSA-N 372.597 3.780 0 1 FHAF COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NC1CCC(C)CC1 7005136 BXNBTNHGYLAOJS-UHFFFAOYSA-N 364.467 3.516 0 1 FHAF COc1ccc(C(=O)O)cc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2 59185400 HBWWHZAXRQMJLN-UHFFFAOYSA-N 373.364 3.857 0 1 FHAF OCCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3cccc(Cl)c32)CC1 22937828 HKWOIXRWXXYROZ-ICSRJNTNSA-N 374.887 3.666 0 1 FHAF C[C@H](c1ccc(Cl)c(Cl)c1)N(C)c1ccc2nc(N)nc(N)c2n1 26501834 CGAGRYKVZKGXHD-MRVPVSSYSA-N 363.252 3.693 0 1 FHAF Cc1ccc([C@H]2C(=S)NC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F 113894590 AZZFRDKXGUGTRC-HNNXBMFYSA-N 358.373 3.748 0 1 FHAF CC(C)(C)C(=O)OC[C@@H]1C=C(c2ccc(Br)cc2)C(=O)OC1 64559137 NISHZGPDLSOPRE-LLVKDONJSA-N 367.239 3.595 0 1 FHAF COc1cccc([C@H]2[C@H](NCc3ccccc3OC)C3CCN2CC3)c1 22443840 BTWXSVJGGMEXOC-YADHBBJMSA-N 352.478 3.629 0 1 FHAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cccnc2Oc2ccccc2)CC1 61905385 QZIMSXBQJQYIGW-MRXNPFEDSA-N 368.433 3.679 0 3 FHAF COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2C(=O)CCC2CCCC2)c1 61906762 VUVAGKZDSZTINN-NRFANRHFSA-N 374.481 3.604 0 3 FHAF COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)Oc1cc(C)cc(CO)c1O2 2356789482 DIZUXJSZKZHMGX-HNNXBMFYSA-N 372.417 3.900 0 1 FHAF CCCCC[C@H](O)CC[C@@H]1SCC(=O)N1CCCCCCC(=O)O 59866794 SDYAOZOEQDVQPX-RDJZCZTQSA-N 359.532 3.644 0 1 FHAF COc1cc2cc(CCC(C)=O)c3c(c2cc1OC)C[C@H]1CCCN1C3 14829386 FMOOLBLKBMPLJD-QGZVFWFLSA-N 353.462 3.899 0 1 FHAF biogenic Cc1ccc([C@H](C)Nc2cc(N3CCC[C@H](C(C)(C)O)C3)ncn2)cc1 82150347 YKGDNQUBYPKJBK-WMZOPIPTSA-N 354.498 3.945 0 1 FHAF CCOc1cc(CCNC(=O)c2cc3ccsc3n2C)ccc1OC 198385989 SLCZAXFHPLHVQC-UHFFFAOYSA-N 358.463 3.620 0 3 FHAF CN(CCOCCF)C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 84652928 KBXQOGFSLYHIJB-ZGXWSNOMSA-N 368.924 3.824 0 1 FHAF COc1c(Br)cc(Br)c(Br)c1OC 82157002 RLQZRYRMTTWFCU-UHFFFAOYSA-N 374.854 3.991 0 1 FHAF COc1ccccc1Oc1cc(NCc2cccc(OC)c2OC)ncn1 82067608 QVGHGQYFTYGSME-UHFFFAOYSA-N 367.405 3.907 0 1 FHAF O=C(O)c1cc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2cc1O 144434512 FDNGSEINPYRWJB-UHFFFAOYSA-N 374.352 3.779 0 1 FHAF COc1c(Oc2oc3ccccc3c(=O)c2OC)oc2ccccc2c1=O 238776358 NDFPDLUZXSJUKN-UHFFFAOYSA-N 366.325 3.709 0 1 FHAF Cc1cc(NC(=O)C2CC2)ccc1OC1CCN(Cc2ccco2)CC1 230560295 KMWYYIGOHWHQHH-UHFFFAOYSA-N 354.450 3.980 0 1 FHAF O=c1oc2cc(O)ccc2cc1-c1ccc(I)cc1 2382218721 CORRTLLSMUYETH-UHFFFAOYSA-N 364.138 3.770 0 1 FHAF O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1c(Cl)cccc1Cl 473135721 SZIKYJKULHLHQK-UHFFFAOYSA-N 363.248 3.524 0 1 FHAF C[C@@H](CN1C(=O)CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1cccc(Cl)c1 299847626 GTOBYXNRRUPZQS-HPZZRFSDSA-N 374.868 3.813 0 1 FHAF CC(C)[C@@]1(Cn2cccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587758426 IYWDNHMJTWSXRN-YVEFUNNKSA-N 366.278 3.870 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccc(O)cc2)N1 587836236 ZWZXZOYGPOHFIY-XXFAHNHDSA-N 364.214 3.752 0 1 FHAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Cl)nc2[nH]1 587065513 SGCKBRJSYRWMAB-UHFFFAOYSA-N 352.177 3.665 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccn([C@@H]3CCCCO3)n1)CC2=O 587476926 SEFSDCRVDASZPB-MOPGFXCFSA-N 356.422 3.947 0 1 FHAF Oc1cccc([C@@H](O)c2nc3cc(Cl)cc(Br)c3[nH]2)c1 586893890 XNALXJCZFDCCBA-CYBMUJFWSA-N 353.603 3.766 0 1 FHAF COC(=O)C[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587376539 DLWUJKQUVMJIHO-IBGZPJMESA-N 359.809 3.654 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(Cl)cc1)CC2=O 587463205 SRKIQPOFDJLAQE-LJQANCHMSA-N 360.793 3.943 0 1 FHAF COC(=O)C(C)(C)C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587808497 OFFQYWJLGFAKJO-JOYOIKCWSA-N 358.251 3.753 0 1 FHAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)ncc2[nH]1 586985071 YDEXGMJJMXRHFA-JTQLQIEISA-N 351.635 3.616 0 1 FHAF Fc1cc2c(c(Cc3nc4cc(C(F)(F)F)ncc4[nH]3)c1)OCOC2 587171554 OKJJBEKOIAQWPK-UHFFFAOYSA-N 353.275 3.573 0 1 FHAF O=C(c1cc2ccccc2cc1O)n1ncc2ccc(Cl)cc2c1=O 587652675 YNHNWOMFMLFGGT-UHFFFAOYSA-N 350.761 3.597 0 1 FHAF O=C(O)CCN(CCc1nc2cnc3ccccc3c2[nH]1)Cc1ccccc1 587194019 XNAHYOVTDFBPAZ-UHFFFAOYSA-N 374.444 3.631 0 1 FHAF CS(=O)(=O)c1cccc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 586927912 ZKVRMIZOENGUOA-UHFFFAOYSA-N 369.215 3.535 0 1 FHAF Cc1cc2c(O)nc(O)nc2nc1-c1cc(Br)c(C)s1 587562558 FLMZXTZUZAFACP-UHFFFAOYSA-N 352.213 3.544 0 1 FHAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cncc(OC)c2[nH]1 587044468 CCSSDILDBVDDAL-UHFFFAOYSA-N 354.193 3.958 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2nccc-2c1 587588059 JDVPBXYWBGPISS-YLJYHZDGSA-N 358.353 3.923 0 1 FHAF CCC[C@]1(c2cc3c(cc2N)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 587389341 JWOYPGUSSLOUQN-OAQYLSRUSA-N 368.433 3.591 0 1 FHAF COc1cc2c(cc1OC)[C@@]1(CCc3cccc(OC)c31)N(C)[C@@H](C)C2 962622176 JKIHASYWFDOXTR-RCDICMHDSA-N 353.462 3.779 0 1 FHAF CCc1ncc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)[nH]1 962639733 LYRFXJRSTGCPLE-AUSIDOKSSA-N 358.489 3.808 0 1 FHAF C[C@@H]1CCC[C@H](Nc2ncnc3c2nnn3Cc2ccccc2Cl)C1 13778503 YOQCHWGMJSBDOY-OCCSQVGLSA-N 356.861 3.914 0 1 FHAF C[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(F)c(N2CCOCC2)c1 1486134 GJTBBHPPJLHWKQ-ULYATVDSSA-N 372.415 3.692 0 1 FHAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCO)[C@H]4CC[C@]3(C[C@H]1O)C2 1857569572 ODQTYDHTXYKYQE-QIVLDXRCSA-N 364.526 3.686 0 1 FHAF CC1=NC[C@H](c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)N1 1857613296 DOOOIYCCISMYLF-QGZVFWFLSA-N 373.865 3.594 0 1 FHAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 775052 FAPAFDZUARWNFQ-AWEZNQCLSA-N 354.381 3.648 0 1 FHAF COc1ccc([C@@H](C(=O)NC2CCCC2)N2CCc3ccccc32)cc1 3625641 TYDXTZOUGWPWNR-NRFANRHFSA-N 350.462 3.858 0 3 FHAF N[C@H]1CN(c2cc(-c3ccccc3Cl)ncn2)C[C@@H]1c1ccccc1 28823819 GSNJKIPTWIIKRG-AEFFLSMTSA-N 350.853 3.728 0 1 FHAF CNC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 28714163 NXVBILHYMWWGLP-CZTZKLFOSA-N 353.510 3.906 0 1 FHAF in-vivo O=C1c2ccccc2[C@@H]2C[C@@H](O)[C@H](Nc3cccc4ccccc34)CCN12 61959035 LJIISSZEEXPDRW-BHIFYINESA-N 358.441 3.972 0 3 FHAF O=c1[nH]c(/C=C/c2ccccc2)nc2ccc(I)cc12 29463601 MMTDCTHUUXYZTB-RMKNXTFCSA-N 374.181 3.698 0 1 FHAF O=C(Nc1ccc(Cl)cc1)c1cccnc1[S@@](=O)Cc1ccncc1 64559113 BMELFXAUFHHIJW-RUZDIDTESA-N 371.849 3.690 0 1 FHAF COc1ccc(C=CC(=O)OC[C@H]2CCCN3CCCC[C@@H]23)cc1OC 2356734467 QROSMYNPMUCJFW-MSOLQXFVSA-N 359.466 3.525 0 1 FHAF CC(C)c1ccc(CCc2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 26648672 OPZFGSYZUUIJJM-UHFFFAOYSA-N 354.446 3.850 0 1 FHAF COc1cc(OC)c2nnc3c(C)nc(-c4ccccc4Cl)n3c2c1 68206864 ZXGQTWGCVTUQHJ-UHFFFAOYSA-N 354.797 3.924 0 1 FHAF in-vitro N=C(Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1cccs1 34804353 DUNBLEBIUURXSN-UHFFFAOYSA-N 368.506 3.863 0 1 FHAF Cc1ccc2c(c1)C[C@H](c1nc3ccc(-c4ccnc(N)n4)cc3o1)CO2 40873465 WHXFFYHHDXLLSY-HNNXBMFYSA-N 358.401 3.894 0 1 FHAF CCCCCC(=O)O[C@H]1C[C@H]2C[C@@H]1C[C@@H]2n1cnc2c(Cl)ncnc21 84614866 LSTBYNJNYLTYID-MQYQWHSLSA-N 362.861 3.943 0 1 FHAF COc1ccc(-c2cc(=O)n3[nH]c(C)c(-c4ccc(OC)cc4)c3n2)cc1 135714197 LPMKDSOFOXTMET-UHFFFAOYSA-N 361.401 3.682 0 1 FHAF COc1cc(/C=C/c2cc(-c3ccc(O)cc3)[nH]n2)cc(OC)c1OC 96915991 PGZCQAZBAFXPQH-QPJJXVBHSA-N 352.390 3.979 0 1 FHAF O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1cccnc1 95573141 DYACKXMVLGUTGQ-UHFFFAOYSA-N 353.253 3.690 0 1 FHAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3F)nn21 473099414 FQOLWDPAUKSMQI-CYBMUJFWSA-N 369.371 3.962 0 1 FHAF CCc1cc(-c2noc(NC(C)=O)c2-c2ccc(OC)cc2)c(O)cc1O 299837565 RLQNKZHIWKJKJE-UHFFFAOYSA-N 368.389 3.949 0 1 FHAF O=C1CN(C2c3ccccc3-c3ccccc32)CCN1C(=O)c1ccccc1 473088653 PDKMTNOIBFFVSZ-UHFFFAOYSA-N 368.436 3.741 0 1 FHAF Cc1ccnc2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc12 587202758 HGSCVFCJINSGRD-UHFFFAOYSA-N 351.410 3.783 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587042526 LGHWZTGMOANVDP-LURJTMIESA-N 361.364 3.739 0 1 FHAF CCc1cc(OCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1Cl 587052943 UZHFOOKJABOMET-UHFFFAOYSA-N 366.826 3.604 0 1 FHAF Oc1ccc(C2(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CCOCC2)cc1 586912535 GBRIZDPPXSUNNQ-UHFFFAOYSA-N 374.343 3.687 0 1 FHAF CCCCN=c1[nH]c(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587448995 CXODCFVZRVTNEZ-VLIAUNLRSA-N 372.490 3.757 0 1 FHAF CCCCC[C@@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439380 AFPPDEBATUCGCR-GCKMJXCFSA-N 360.450 3.961 0 1 FHAF COc1ccc(C)cc1C(=O)CCc1nc2cc(F)cc(C(=O)O)c2[nH]1 587788106 WHKJLKMDGQVHOA-UHFFFAOYSA-N 356.353 3.533 0 1 FHAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)o1 587648949 KGSQEDXQLAKCCG-UHFFFAOYSA-N 371.336 3.885 0 1 FHAF Fc1cc(Br)ccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587142849 NTNOWYYGSAUQAA-UHFFFAOYSA-N 361.096 3.892 0 1 FHAF CCOC(=O)[C@]1(c2ncccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587518482 JHXYSYHGGJPWFY-JOCHJYFZSA-N 365.429 3.693 0 1 FHAF Fc1cncc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 587177145 RTVCFNHQCWTSFJ-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399915 MZWXTFGHIOFZOJ-GHTZIAJQSA-N 353.418 3.648 0 1 FHAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(O)ncnc2[nH]1 587034225 DUTRSHJKYFZKLT-LLVKDONJSA-N 367.434 3.544 0 1 FHAF CCC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352121 NUZQCYIIXGAJOY-PZJWPPBQSA-N 372.392 3.992 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OCC)cn1)CC2=O 587486781 LLBGLTVFSCUDFJ-GOSISDBHSA-N 355.390 3.623 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCC)c2ccccc21 587482657 CISICPCECSXFMO-JOCHJYFZSA-N 365.429 3.962 0 1 FHAF CCOC(=O)CNc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 587227791 XRUOLISWGSMYEE-UHFFFAOYSA-N 374.238 3.967 0 1 FHAF Cc1nc(Br)sc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587011151 LJNXFDDGHWKKIH-UHFFFAOYSA-N 366.240 3.919 0 1 FHAF Cc1cc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c(C)n1 587160888 HUIQGRIPVURLBC-UHFFFAOYSA-N 356.792 3.674 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)OC)c2ccccc21 587484200 YUDWDKQAIHGMJF-KSFYIVLOSA-N 366.413 3.866 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 587932298 NJSVSAWKEVNFIP-FOIQADDNSA-N 370.474 3.810 0 1 FHAF Cc1c(O)ccc2c1[C@@]1(C[C@@H](C(C)C)c3ccccc31)N[C@H](C(=O)O)C2 963491425 NPXJFKZNNBABGO-ZJBJCVSYSA-N 351.446 3.686 0 1 FHAF COc1ccc2c(c1)[C@@](C)(c1ccc(-n3cnnc3)cc1)N(C(C)C)CC2 962088231 FLWGPJMMUUVEDH-JOCHJYFZSA-N 362.477 3.806 0 1 FHAF CCOc1n[nH]c2c(F)c(NC(=O)N[C@H](C)c3ccc(F)cc3)ncc12 1772613090 LFLYQGUILOGERS-SECBINFHSA-N 361.352 3.518 0 1 FHAF O[C@@H](COc1ccccc1[C@H](O)CCc1ccccc1)CN1CCCCC1 13529034 FZGNNKKEFBVGIM-IFMALSPDSA-N 369.505 3.578 0 1 FHAF COc1ccccc1N1CCN(CC[C@H](O)c2cc(C)sc2C)CC1 13861777 ZXCPBBDQMAZIEL-IBGZPJMESA-N 360.523 3.619 0 1 FHAF CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1[N+](=O)[O-] 150315664 NLNXWLFGILEYMA-INIZCTEOSA-N 367.361 3.690 0 1 FHAF C[C@H](O)C1(CNc2cc(Cl)nc(N)n2)CC(CCc2ccccc2)C1 1645738 GOUZDMVNRVLFRO-XIWWETDGSA-N 360.889 3.534 0 1 FHAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356431157 DXINWPCQBUXMER-JFUUDBLLSA-N 350.414 3.529 0 1 FHAF COc1ccc(-c2coc3c(C(=O)NCCN(C)C)cccc23)c(C)c1 61905413 KKACOQCTBSRJJN-UHFFFAOYSA-N 352.434 3.708 0 3 FHAF O/C(=C\c1nc2ncc(Br)cc2nc1O)c1ccc(F)cc1 101710883 NKHNCOZLINMPOJ-MLPAPPSSSA-N 362.158 3.688 0 1 FHAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2c1NCC[C@@H]2C(F)(F)F 64549747 ZRVBJXLSYBBOGL-HSVOFOGUSA-N 368.403 3.501 0 1 FHAF COc1ccccc1-c1ncnc2c1ncn2C[C@@H]1C[C@H](O)c2ccccc21 28635623 BZFKETWSQJPTCB-KSSFIOAISA-N 372.428 3.723 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@@H]3CC[C@@H]12 34801428 YJVVSONFMRLWTH-DPMGHTSRSA-N 359.510 3.926 0 1 FHAF CCCN1CCc2cc(OC)c(OC)c3c2[C@H]1Cc1cc2c(cc1-3)OCO2 72142500 HNYVLCPPOSNDQD-MRXNPFEDSA-N 367.445 3.965 0 1 FHAF CCN(CC)CCN1C(=O)CCc2cc(NC(=N)c3cccs3)ccc21 73159831 BWBRCXGPEHCZGI-UHFFFAOYSA-N 370.522 3.807 0 1 FHAF COc1cc([C@H]2NCc3ccc4c(c3-n3cccc32)OCO4)ccc1F 82230204 PPYWFBZWXDOEQF-GOSISDBHSA-N 352.365 3.546 0 1 FHAF CC(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 98082942 VOEVWWDYQIDNFO-NUSLZGIJSA-N 374.569 3.991 0 1 FHAF CCCCOc1c(OC)ccc2cc(C(=O)N[C@@H](C)C(C)C)c(=O)oc12 299864334 MEGZXIDGRKAPJZ-ZDUSSCGKSA-N 361.438 3.755 0 1 FHAF CCc1ncc(-c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)o1 299822007 MRQJCBGFRSNKNT-UHFFFAOYSA-N 354.431 3.655 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N(C)C)N1 587755860 PTQJIAUXQUMYHB-QLJPJBMISA-N 364.262 3.673 0 1 FHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(C)(C)C 587203666 GRZLYUFMVRVFFT-CQSZACIVSA-N 373.457 3.627 0 1 FHAF CCOC(=O)c1cc(C)n(-c2cc(C)n(Cc3ccccc3F)n2)c1C 587945157 KNFCBVIRCAZGPG-UHFFFAOYSA-N 355.413 3.963 0 1 FHAF Cc1cccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969931 QQNKKMHRTQYEKO-UHFFFAOYSA-N 366.402 3.942 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCCCC2)N1 587767916 SDABSQYWGNXKLM-YVEFUNNKSA-N 355.295 3.824 0 1 FHAF COC(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1OC 587152286 LEXAPLAHHPSFCR-RYUDHWBXSA-N 358.344 3.907 0 1 FHAF CCC[C@@]1(C2CCNCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595410 NLAUAUZEKKMZEV-UGKGYDQZSA-N 367.445 3.892 0 1 FHAF CC(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587084700 GVXOTLCLRFZGAQ-UHFFFAOYSA-N 355.829 3.593 0 1 FHAF COc1cc(O)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587805323 FWACCTDTZGECSS-XLFHBGCDSA-N 366.230 3.926 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H]2CC3=O)N1 587825761 FEPZQICTRZUQLB-WOLPVMLTSA-N 352.247 3.707 0 1 FHAF CNS(=O)(=O)c1cc(-c2nc3cccc4c3c(c2C)CC4)ccc1Cl 587216435 BLUXUZJKBVZTNZ-UHFFFAOYSA-N 372.877 3.870 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)cc(Cl)c2[nH]1 587225682 RFUVMFVHCAIFQI-JTQLQIEISA-N 364.232 3.953 0 1 FHAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-n1cnnc1 587516470 UBXRFMDGBMKEGF-HXUWFJFHSA-N 362.433 3.593 0 1 FHAF C[C@@H]1CCCN(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587584388 XJHVJIOVQLZTGQ-YOMUGFJLSA-N 367.445 3.844 0 1 FHAF Cc1ccc(Br)c([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963039669 ZJODUKBYZKFDFP-CWTRNNRKSA-N 371.278 3.900 0 1 FHAF COC(=O)c1ccc2c([C@@]3(C)NCCc4cc(C)c(F)cc43)c[nH]c2c1 962304024 ZAAIVXASPPNNMZ-NRFANRHFSA-N 352.409 3.811 0 1 FHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NCC3CC3)c2cn1)c1ccccc1 1772639603 RCQPKQAAZBGATB-GFCCVEGCSA-N 350.426 3.663 0 1 FHAF O=C(Nc1ccccc1Cl)N1[C@H]2CC[C@@H]1CC(O)(c1cccnc1)C2 13150622 UKXJKCUTCLJHJL-RTHVDDQRSA-N 357.841 3.782 0 1 FHAF CCOC(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681813 SRWMNPAYNHYCEU-COCCKNAVSA-N 356.462 3.997 0 1 FHAF Cc1ccnc(N2CCN(CCc3cn4c5c(cccc35)CCC4)CC2)c1 13740412 RKPXLGJPQYDDTN-UHFFFAOYSA-N 360.505 3.656 0 1 FHAF Fc1ccccc1[C@@H]1C[C@@H](c2cccc(Br)c2)Nc2nnnn21 15866361 VBCXHDSNTHQVAH-GJZGRUSLSA-N 374.217 3.721 0 1 FHAF COc1nc2cccnc2n1[C@H]1C[C@@H](Nc2nc3ccccc3s2)C1 169352735 QSZCDYHTHAAFAW-HAQNSBGRSA-N 351.435 3.865 0 1 FHAF Cc1cc(Nc2cc(C)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1 203003324 UJFONTYRXZAQDP-UHFFFAOYSA-N 361.409 3.827 0 1 FHAF O=C(Cc1c(C(=O)O)[nH]c2ccccc12)Nc1nc2ccccc2s1 2461778 JOQOOEDHCZWLGJ-UHFFFAOYSA-N 351.387 3.657 0 1 FHAF COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 2478277 NUFOMKSYAFXOOG-UHFFFAOYSA-N 360.410 3.976 0 1 FHAF CCCCc1nc2[nH]cnc2c2nc(-c3ccc(Br)cc3)nn12 13475517 AEVGFNXLWBWXCW-UHFFFAOYSA-N 371.242 3.773 0 1 FHAF C[C@@]12CCC(=O)C=C1C=C[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)CCC(=O)O 13783433 PBKZPPIHUVSDNM-AASJXKLDSA-N 358.478 3.890 0 1 FHAF CC(C)/C=C/c1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O 14762745 BEALEKDGCXYWLB-HWKANZROSA-N 354.358 3.952 0 1 FHAF endogenous,in-man CC[C@H]1CNCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21 24770217 LVNMYQLXKMSQTG-AWEZNQCLSA-N 372.472 3.973 0 1 FHAF in-vivo CCc1noc(-c2ncn3c2CN=C(c2ccccc2)c2ccccc2-3)n1 26379575 MFDBJXORVMJGNR-UHFFFAOYSA-N 355.401 3.836 0 1 FHAF CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCCC[C@H]1N1CCCC1 27979097 DFBRXDUAXHPRJM-NHCUHLMSSA-N 353.510 3.966 0 1 FHAF c1cc(OCCCc2nnn[nH]2)cc(OCc2ccc3ccccc3c2)c1 28218695 XSASPQKFMXAOAK-UHFFFAOYSA-N 360.417 3.944 0 1 FHAF CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCOC2 28707906 GPNICEMFQIXARR-UHFFFAOYSA-N 364.492 3.617 0 1 FHAF O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)nc1 28889272 STAZSACUQPAKDP-UHFFFAOYSA-N 359.397 3.978 0 1 FHAF Cc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1Cl 45484825 HXLJLIHCFCOIHC-UHFFFAOYSA-N 374.849 3.658 0 1 FHAF Cn1cc2c(NC(=O)c3cccc(Cl)c3)nc(-c3ccccc3)nc2n1 49115922 FEQIWODQYSWOIJ-UHFFFAOYSA-N 363.808 3.936 0 1 FHAF CCC1=C(Br)C(=C(Br)Br)OC1=O 64600142 WNFDCHGNKIYOBF-UHFFFAOYSA-N 360.827 3.561 0 1 FHAF COc1ccc([C@@]2(c3cccc(-c4cccnc4)c3)C[C@H](OC)C(N)=N2)cc1 96906041 XBWQSEBJKSPBBV-JTHBVZDNSA-N 373.456 3.777 0 1 FHAF O=C(CNCC1(O)CCCCC1)N1CCc2ccccc2[C@@H]1C1CCCC1 201385973 XCQAHAILAVTORR-QFIPXVFZSA-N 370.537 3.587 0 1 FHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccnc(Cl)c2[nH]1 586974028 TXWNAJFHAVPSIW-CQSZACIVSA-N 360.870 3.722 0 1 FHAF Cc1cnc(Cl)c2[nH]c([C@H](N)Cc3cccc(Br)c3)nc12 586983732 IDKWXKWHBNWDDK-LLVKDONJSA-N 365.662 3.925 0 1 FHAF Cc1cc(Br)c2[nH]c([C@@H](N)c3ccc(F)cc3F)nc2c1 587151569 SODNZZUFGNWVHJ-ZDUSSCGKSA-N 352.182 3.960 0 1 FHAF C[C@]1([C@@H]2CCCNC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346140 LGIPNAHYOGZODA-XWRIVVANSA-N 355.409 3.649 0 1 FHAF COc1ccc([C@@]2(CCN(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587381285 GJHAZUOKLPWHSR-OAQYLSRUSA-N 372.440 3.537 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCCc3occ(C(=O)O)c31)CC2=O 587487211 YZPZLWWTLYGEIK-HXUWFJFHSA-N 356.374 3.833 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(=O)(=O)CC)c1)CC2=O 587490227 WNIYOBIFOIQCKB-LJQANCHMSA-N 374.458 3.845 0 1 FHAF O=C1C[C@H](c2cnc3ccc(Cl)nn23)Oc2c1ccc1c2CCCC1 587498549 IXZGRIPMOHWOAQ-MRXNPFEDSA-N 353.809 3.968 0 1 FHAF Nc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587559821 ZHLPQNHHVBTGDI-PXNSSMCTSA-N 351.333 3.816 0 1 FHAF C[C@H](N)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587749420 PIDFSDRZLVVTMW-FTLABTOESA-N 363.274 3.713 0 1 FHAF COc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587772435 NVJURPZQWRXLBX-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF CCOC(=O)C[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587800240 WERRQWDZLMMDGH-QLJPJBMISA-N 358.251 3.681 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(F)cc(F)n1 587867255 AMLPPRMIZYSSKE-UHFFFAOYSA-N 356.254 3.635 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cccc(F)c1 587870675 PBJGTMQMXUZHNA-UHFFFAOYSA-N 358.344 3.946 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Cn2cncn2)cc1 587871770 CRIIDNVJTOBGIH-UHFFFAOYSA-N 363.396 3.717 0 1 FHAF C/C=C/C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 621477540 NFSCMJABUGAVOM-ICTCPBKTSA-N 372.852 3.897 0 1 FHAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1cnccn1 961779635 UORGZCNWDWZTJW-LJQANCHMSA-N 366.465 3.717 0 1 FHAF COc1ccc2c(c1OC)[C@@](CCC(=O)O)(c1ccccc1)N(C)[C@H](C)C2 962623119 IEZVVYYZFAOOLM-IVZQSRNASA-N 369.461 3.689 0 1 FHAF Cc1ccc([C@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)c(F)c1 962626594 CYKBAJQKZGUTJA-CVEARBPZSA-N 369.314 3.721 0 1 FHAF CCCN1C[C@@H]2C[C@H](C1)C21c2cccc(F)c2CCN1[C@@H]1CCSC1 962718151 XQVOOZIUGXZUAU-IJIRQLBGSA-N 360.542 3.746 0 1 FHAF CC(C)c1nn(C)c2c1[C@](C)(C(=O)c1cccc(C(F)(F)F)c1)NCC2 962922308 QZLZWEVSUZDXOL-GOSISDBHSA-N 365.399 3.806 0 1 FHAF c1ccc(Nc2nc(NC[C@@H]3CCCO3)nc(Nc3ccccc3)n2)cc1 1772573594 XNYKLYFWQRWGDI-KRWDZBQOSA-N 362.437 3.950 0 1 FHAF CCOC(=O)[C@H](C)N[P@@](=O)(CO)Oc1c(C(C)C)cccc1C(C)C 1772582048 KFVIIFKKVHCHMJ-HWRSSNJWSA-N 371.414 3.996 0 1 FHAF COc1ccc2c(c1)O[C@@H](COc1ccc(CCC(=O)O)c(F)c1)CC2 1857654372 MXGWGPPTKPNEFE-QGZVFWFLSA-N 360.381 3.624 0 1 FHAF CC[C@@H]1Cc2cc(OCC3CC3)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857771399 DUBVTXDLHVBXGK-CQSZACIVSA-N 369.417 3.518 0 1 FHAF CO[C@]1(C(C)(C)O)C=C[C@@](C)(O)CCC=C(C)CC(=O)C[C@H](C)CC1 2356440773 PUAPJGQBSUWLAY-QMMLZNLJSA-N 352.515 3.955 0 1 FHAF COC(=O)C1=C(CCc2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 13125904 AUXYBUNVTJIMQY-SFHVURJKSA-N 370.836 3.754 0 3 FHAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CCC(=O)N1CCOc1ccccc1 95605677 PBJCZLLXIOZESK-JOCHJYFZSA-N 366.461 3.702 0 3 FHAF CCCCC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 2356442805 QLPYHQHJKMTHED-DMUMMCEESA-N 368.514 3.564 0 1 FHAF Cc1ccc(-n2cnc3cc(C(=O)NCc4ccccn4)ccc32)c(C)c1 3025558 FSUKKHZBPWVWMM-UHFFFAOYSA-N 356.429 3.967 0 1 FHAF O=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ccccc3)C2)CC1 3955782 DGGQWASXFXYCFV-UHFFFAOYSA-N 370.518 3.758 0 1 FHAF COc1ccc2c(c1)[C@H](NCCN1[C@@H](C)CC[C@H]1C)c1cccnc1CO2 26830898 WOQWGJMYJPOTGT-ZMPRRUGASA-N 367.493 3.534 0 1 FHAF O=C(Nc1nccs1)[C@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32 100658664 SVCMBZWRYURYMW-HNNXBMFYSA-N 365.389 3.587 0 1 FHAF COC(=O)C1=CC[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2[C@@H](C)CC[C@H](O)C(C)C 2356642858 XPCAEPWERCDOLA-HEBSSFCPSA-N 352.515 3.706 0 1 FHAF CCCN1C(=O)c2ccccc2[C@@]1(O[C@H]1CC[C@@H](O)C1)c1ccc(F)cc1 117213282 QBTWQHLSEJRMBJ-FGSXEWAUSA-N 369.436 3.823 0 1 FHAF Cc1ccc(CNCC2(F)C[C@@H]3CC[C@H](C2)N3C(=O)c2ccsc2)nc1 64235592 PYKBXZYCKZDPNW-UFRUDQCGSA-N 373.497 3.717 0 1 FHAF O=C(OC1=C2C=CC=C3CCN(C(=O)[C@@H]1c1ccccc1)[C@H]32)c1ccccc1 72102670 FGMYBDTZWKYKQO-NHCUHLMSSA-N 369.420 3.992 0 1 FHAF CC(C)[C@H](NC(=O)C(=O)C(C)(C)C)C(=O)OCCCC1CCCCC1 40567250 FIZIODOGJGXGEM-INIZCTEOSA-N 353.503 3.646 0 1 FHAF CC(C)(O)[C@@H](O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 40954791 ILAKDWKJRHBOAD-KRWDZBQOSA-N 358.825 3.878 0 1 FHAF CC(C)c1nc2nc(N3CCC(Cc4ccccc4)CC3)ccc2[nH]c1=O 82231750 YIJJODAAJFNOHN-UHFFFAOYSA-N 362.477 3.901 0 1 FHAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(F)cc2)C1=S 95665502 VKKQLIVQLTYLGF-UHFFFAOYSA-N 350.415 3.619 0 3 FHAF CCNC(=O)Nc1cn(-c2ccccn2)c2cc(-c3cccnc3)cnc12 263620434 FRDSIJNIQUPVHU-UHFFFAOYSA-N 358.405 3.624 0 1 FHAF in-vitro COc1cc2onc(C)c2cc1NS(=O)(=O)c1ccccc1Cl 2382216930 RVANWEJRMUQPDF-UHFFFAOYSA-N 352.799 3.599 0 1 FHAF CCN(CC)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332974 FEWUKIKSZIICPV-PZJWPPBQSA-N 357.425 3.991 0 1 FHAF CCn1c(=O)oc2cc(Cc3cncc4cc(OC)c(OC)cc34)ccc21 148610579 KCEBELPCJQSUSM-UHFFFAOYSA-N 364.401 3.771 0 1 FHAF CC(C)n1ccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575953 HGVOUPWMYXTBDD-APWZRJJASA-N 350.374 3.873 0 1 FHAF COCC(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798409 ZWILWTCAAZIPDA-DIFFPNOSSA-N 372.278 3.579 0 1 FHAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)cc(Cl)cc3[nH]2)c1 586936993 BXNAZZAKOCERGU-UHFFFAOYSA-N 373.265 3.552 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2cccc(O)c2)N1 587831394 HDZKIUGCPHGVTQ-ABKXIKBNSA-N 364.214 3.752 0 1 FHAF CC[C@@]1(Cc2nc3ccc(C(=O)OC)nc3[nH]2)CC(=O)c2ccccc2C1 587961682 SRQPTTXJKFECNI-NRFANRHFSA-N 363.417 3.513 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(F)c3[nH]2)cc1 587041825 GOFQCLSCYZVOKW-INIZCTEOSA-N 371.437 3.989 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 587350458 HTSCFOXRYNUKFZ-WYAVIUHXSA-N 356.349 3.514 0 1 FHAF OCc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1 587017893 PJJVJHRWZFAKKV-UHFFFAOYSA-N 373.441 3.892 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(F)cc4)c1)[C@@H](C2)C3=O 587427936 KCMXKNAAEGPIIT-JXFKEZNVSA-N 350.349 3.509 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc3c(c1)CCC3)CC2=O 587489755 OVSSOAFAKCRVIA-QFIPXVFZSA-N 366.413 3.779 0 1 FHAF COc1ccc2c(c1)[C@]1(N[C@@H]3CC[C@@H]23)c2ccccc2C(=O)c2ccncc21 962993412 ILMHOLVZWVGOAA-XTZPKPCCSA-N 368.436 3.776 0 1 FHAF CC[C@]1(C(C)C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963140264 JTDRGLYUDDHEJA-SJCJKPOMSA-N 354.472 3.651 0 1 FHAF OCCNc1cc(-c2cncc(NCc3cccc(F)c3)c2)c(Cl)cn1 1772603322 HFDKKSOKCNZLGJ-UHFFFAOYSA-N 372.831 3.952 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C\Br)cc2)C[C@@H]2CC[C@H]1N2C 13559568 QRRDJSMVPRYYBA-YRVSDYCQSA-N 364.283 3.792 0 1 FHAF CCc1cccc2c1C(=O)N1CCC[C@@H]1c1c(C(=O)OC(C)(C)C)ncn1-2 13828240 RHPKZBYJDUTEOD-OAHLLOKOSA-N 367.449 3.681 0 1 FHAF COc1ccc(NC(=N)c2ccccc2)cc1CNC(=O)C1CCCC1 169352389 YXYDMYARBMCPDF-UHFFFAOYSA-N 351.450 3.939 0 1 FHAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)N1C[C@@H](c3ccccc3)c3ccccc31)C2 169368254 LSBPGQZSPXOWCV-SBHAEUEKSA-N 361.489 3.973 0 1 FHAF CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccccc1)CCCC3 169686270 HSWTUAONRDQBHN-MSOLQXFVSA-N 363.461 3.960 0 1 FHAF CCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 169729887 BBDCPBDRXQVELJ-RBUKOAKNSA-N 366.417 3.670 0 1 FHAF Cc1ccc(CN2CCCC[C@@H](NC(=O)c3ccccc3C)C2=O)cc1 200052885 GYUZRDYJVKZTHB-HXUWFJFHSA-N 350.462 3.615 0 3 FHAF CCSc1nnc(COc2ccc3nc(NC(=O)OC)sc3c2)o1 1857765808 ADURDDVWUDZANO-UHFFFAOYSA-N 366.424 3.549 0 1 FHAF CCOC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1cc2ccccc2o1 6439326 WXUCXEGPJOTFLA-UHFFFAOYSA-N 366.325 3.794 0 1 FHAF biogenic CC(=O)OCC1=C[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C(C)C)=C3[C@@H]2C[C@H]1O 13413233 HATYVUGWHSLHBM-HIHICTBBSA-N 362.510 3.770 0 1 FHAF biogenic COc1cc(O)c([C@@H]2COc3cc(O)cc(O)c3C2=O)cc1CC=C(C)C 14762868 KQGTWGSNAAKPFF-HNNXBMFYSA-N 370.401 3.680 0 1 FHAF biogenic COc1cc2cc3c(c(O)c2c2c1C=CC(C)(C)O2)C(=O)C[C@](C)(O)C3 14883294 RUKXXSDGTORZFO-OAQYLSRUSA-N 354.402 3.618 0 1 FHAF biogenic,in-vitro O=C(Nc1cc(-c2cccc(Cl)c2)no1)c1cc(CN2CCCC2)on1 21540880 WEWCUBZVDWYFKA-UHFFFAOYSA-N 372.812 3.831 0 1 FHAF Cc1cc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)no1 23994059 SVWGHMQKZYGAIP-SJORKVTESA-N 367.430 3.594 0 1 FHAF Cc1noc(NS(=O)(=O)c2cccc(Cl)c2C)c1Br 26478057 UXPAHOXAMUURFG-UHFFFAOYSA-N 365.636 3.508 0 1 FHAF COc1ccc(N2CCn3c(COc4ccc(Cl)cc4)nnc32)cc1 40848035 WVDSXZQZIPLCKX-UHFFFAOYSA-N 356.813 3.671 0 1 FHAF COc1ccc(C(=O)CSc2cnnn2-c2ccc(C)cc2)cc1OC 49793720 RRHGBCGJCBYQJZ-UHFFFAOYSA-N 369.446 3.568 0 1 FHAF CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21 65974932 QTSVWTOOIVCRTC-GFCCVEGCSA-N 363.870 3.749 0 1 FHAF C=C(c1ccc2c(c1)c(CO)cn2C)c1ccc(OC)c(OC)c1OC 95583543 JEKVTZHQHAUUII-UHFFFAOYSA-N 353.418 3.758 0 1 FHAF CCOC(=O)c1c(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3O2)sc2c1CCCC2 169691152 AWJBFLMUDGWLSD-PHIMTYICSA-N 373.430 3.688 0 1 FHAF Oc1nc(NCc2ccccc2)c2nc(-c3cc4c(s3)CCC4)nc-2[nH]1 587037508 WBIGSSHLMKVXAW-UHFFFAOYSA-N 363.446 3.839 0 1 FHAF C[C@]1(c2cccnn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344916 HTDQDNYFHZENPC-UYAOXDASSA-N 350.349 3.596 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc3c(c1)OCO3)O2 587390781 NYQJMLPYPBWVTL-IBGZPJMESA-N 362.385 3.803 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(CO)n3)cc1)O2 587394482 WDMKJNODPPUYMW-NRFANRHFSA-N 360.413 3.838 0 1 FHAF CCOC(=O)CC[C@@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452699 SWAQAYABKSJUQC-JLTOFOAXSA-N 372.442 3.743 0 1 FHAF CCOc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587616322 BPQVWOFQUHQYHY-QAPCUYQASA-N 369.398 3.950 0 1 FHAF CCn1nccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587761151 SQQPRUZGUKLIGK-HWPZZCPQSA-N 352.251 3.602 0 1 FHAF CCn1cc([C@@]2(CC)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587764131 OIZPMAVBNODEQV-PIGZYNQJSA-N 366.278 3.992 0 1 FHAF COc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587775363 ZJNJLHOQHSHQJU-DYZYQPBXSA-N 365.246 3.924 0 1 FHAF CCc1nccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587776536 XULAAWZKCHBBDG-XXFAHNHDSA-N 350.235 3.564 0 1 FHAF CCOC(=O)[C@H](CC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587795751 JDWHFQJKFMSFAY-MOCULFSLSA-N 372.278 3.927 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc2nccn2n1 587863512 MIXFHZMFZIUYIR-UHFFFAOYSA-N 359.311 3.609 0 1 FHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OCCO3 587926090 HNJBHDKIZMNSIQ-CYBMUJFWSA-N 354.406 3.893 0 1 FHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587926534 ICNHBDDXWCLXQV-SCLBCKFNSA-N 354.410 3.846 0 1 FHAF C[C@H](CNC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)Oc1ccccc1 653850141 DNYVLBDHXAEEAY-OAHLLOKOSA-N 372.428 3.822 0 1 FHAF Cc1ccccc1C[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962956076 BHWAWTDRNXQTDF-CABCVRRESA-N 351.780 3.809 0 1 FHAF COc1ccc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)cc1CO 963120509 JCEFPMVXNAKFDM-SFHVURJKSA-N 352.261 3.904 0 1 FHAF O=C(NCCc1nc(-c2cccc(F)c2)cs1)N1CCC[C@H](F)C1 1772622069 KECCQUVROAZVDI-AWEZNQCLSA-N 351.422 3.635 0 1 FHAF CCc1c(O)nc(=O)n(COCc2ccccc2)c1CC1CCCCC1 1772643327 OAMRYFQCGHECGE-UHFFFAOYSA-N 356.466 3.808 0 1 FHAF O[C@H](c1ccc(-n2cnc3c(NCc4ccccc4)ncnc32)cc1)C1CC1 1857559697 TYCIRUVIKHELLN-FQEVSTJZSA-N 371.444 3.871 0 1 FHAF COc1ccc(N=c2[nH]c(N3C[C@@H](C)C[C@@H](C)C3)ncc2F)cc1Cl 1857608766 FBUAEPXGEQDSDG-TXEJJXNPSA-N 364.852 3.926 0 1 FHAF CC=C(C)[C@@H]1O[C@@H]2C(C)=C[C@](C=CC(=O)O)(CO)[C@@H]3C(C)=C[C@@]1(C)[C@]32C 2356394921 JBEJQFQKKHSILD-DRGMGAIOSA-N 358.478 3.888 0 1 FHAF CC(C)=CCCC(C)=C[C@@H]1C[C@H](C[C@@H]2C(=O)[C@H](O)CC[C@@H]2O)[C@@](C)(O)C1 2356534358 ARWRGDYUCCALTP-DPAHKSBWSA-N 364.526 3.547 0 1 FHAF CC(=O)O[C@@H](Cc1c(C)cc(O)cc1Oc1cc(C)cc(O)c1)C(C)(C)O 2356614265 NTAFGSZVOYFBDV-FQEVSTJZSA-N 374.433 3.752 0 1 FHAF CC=Cc1cc2c(cn1)C(=O)[C@]1(C)OC(=O)[C@@H](C(=O)CCCCC)[C@@H]1C2 2356752346 XZLAVLLIHLWTLQ-YRISNDGFSA-N 355.434 3.551 0 1 FHAF Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)CC(F)(F)F)c1C 11720511 HCVIJYSWKIBRGN-CQSZACIVSA-N 351.372 3.935 0 3 FHAF O=C(NC[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 6935585 NFIAWFQFCCZVQE-MRXNPFEDSA-N 373.884 3.839 0 1 FHAF O=C(C[C@H](c1cccc(Cl)c1)c1ccccc1O)N1CCC(O)CC1 12075812 VQQVOSSCTBMNQI-GOSISDBHSA-N 359.853 3.551 0 1 FHAF CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CC)(CC[C@H]12)[C@H]43 13373793 ROASJTKVYDJYTF-GUGJDKNPSA-N 354.494 3.814 0 1 FHAF biogenic Oc1nc2c(c3nc(-c4cccc(F)c4)cn13)CN(Cc1ccccc1)CC2 13492013 PCILNHKPPMAMLQ-UHFFFAOYSA-N 374.419 3.799 0 1 FHAF COc1cc([C@H]2CN=C(c3cccc4c3ccn4C)O2)cc(OC)c1OC 27523292 XBLBTPNODBDQNO-LJQANCHMSA-N 366.417 3.722 0 1 FHAF CC(C)N(CC[C@]1(c2ccccc2)C(=O)N=CN2CCCC[C@@H]21)C(C)C 28265067 CMEFGOJSFPCTKK-IFMALSPDSA-N 355.526 3.856 0 1 FHAF O=C(c1cccc(Cl)c1)c1cc(Cc2ccc(=O)[nH]n2)cc2ccoc12 40980271 VTMXWIGCCDHWKN-UHFFFAOYSA-N 364.788 3.991 0 1 FHAF COc1ccc(C2=C(c3ccco3)/C(=C/c3ccncc3)NC2=O)cc1OC 45354296 XCOCYHBUZICJPI-VBKFSLOCSA-N 374.396 3.774 0 1 FHAF CC[C@H]1C=C[C@]2(O[C@@H]([C@@H](C)/C=C/C=C/C(=O)O)[C@@H](C)[C@@H](O)[C@H]2C)O[C@@H]1C 85812024 QBUNWYIRJPTIPL-KJDSHMCHSA-N 364.482 3.549 0 1 FHAF CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N 95605030 MPQDZTDGJUCWQL-FQEVSTJZSA-N 369.852 3.550 0 1 FHAF C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 219955957 ODXIHYQVXXYLQK-JRBPQWBISA-N 374.518 3.626 0 1 FHAF in-vitro COc1cc2nc(=S)n(-c3cccnc3)c(O)c2cc1-c1cnco1 253738352 QSCWYSBACZJFCJ-UHFFFAOYSA-N 352.375 3.519 0 1 FHAF Cc1cc(OCCCCCCN2CCOCC2)nc(-c2ccccc2)n1 299832574 JVOHDXIOZXAGOZ-UHFFFAOYSA-N 355.482 3.723 0 1 FHAF COc1ccccc1CCCc1nc(N)c2nn(-c3ccccc3)cc2n1 299833521 PPZARYOCIWUJNS-UHFFFAOYSA-N 359.433 3.582 0 1 FHAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 587109795 VHPWHKAMJPHWJK-UHFFFAOYSA-N 362.267 3.529 0 1 FHAF Cc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1F 587149115 LXUOHNPAKNSBMY-LBPRGKRZSA-N 359.351 3.805 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CC=Cn3ccnc32)[C@@H]1c1ccc(F)cc1 587339001 PJLJCTZKCPMGOG-NQIIRXRSSA-N 362.360 3.857 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)CC(C)C)cc1)O2 587409119 PTYSBYYBLFLLAC-IBGZPJMESA-N 373.474 3.713 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](C1(NC(=O)OC(C)(C)C)CC1)CC2=O 587468360 FQADKBPZDWJIQF-MRXNPFEDSA-N 361.438 3.736 0 1 FHAF CN(C)/C=C\[C@@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587536276 TYTIMQDJQCYNJA-XADARROHSA-N 354.475 3.958 0 1 FHAF O=Cc1ccc(OCCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587566297 FLTWBMWYJWGKMX-UHFFFAOYSA-N 350.296 3.896 0 1 FHAF CCCn1nccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578585 ARUMSJNOEPHEMU-YLJYHZDGSA-N 350.374 3.702 0 1 FHAF COc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587730713 XSXKHNUEHHDKCH-AYVTZFPOSA-N 369.209 3.755 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCN(C)CC2)N1 587764892 AIAUNDWEQPSEHD-APPDUMDISA-N 355.295 3.679 0 1 FHAF CC/N=c1\c(NC(=O)Nc2cccc(OC)c2)c(O)oc2ccccc12 617997461 INKIOPHMSONFSA-SILNSSARSA-N 353.378 3.712 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cc(C(=O)OCC)n(C)n1 963226930 ITNJMOTXVHKFEN-VFNWGFHPSA-N 355.482 3.517 0 1 FHAF Cc1ccc2nc(NC(=O)c3ccccc3C)c(C(=O)NCC(C)C)n2c1 1857618943 UXSPGXIXJTVACD-UHFFFAOYSA-N 364.449 3.589 0 1 FHAF CCOCC=Cc1ccc2c(c1)[C@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 2356332777 IZWXWZBLJVFVIF-LAUBAEHRSA-N 356.418 3.660 0 1 FHAF c1cc2c(cc1[C@@H]1OC[C@H]3[C@H]1CO[C@H]3c1ccc3c(c1)COC3)COC2 2356507121 XCVUGMGVUGLJDA-LRSLUSHPSA-N 350.414 3.822 0 1 FHAF COc1ccc2c(c1CC=C(C)CO)O[C@H](c1ccc(O)cc1O)CC2 2356507699 ZWYKFLRPPQSGJI-FQEVSTJZSA-N 356.418 3.654 0 1 FHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@H](C(=O)O)[C@@]2(C)O 2356810550 AYRBKDVFDHNFQF-LPHWDNJQSA-N 352.471 3.712 0 1 FHAF CN1CCC2=C(NC(=O)C34CC5CC(CC(C5)C3)C4)c3ccccc3N[C]21 2356814410 IDFZJRNWRQGVTR-UHFFFAOYSA-N 362.497 3.981 0 1 FHAF COCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(C)c3ccccc23)C1 61908512 YEDHLYRTNMJICD-QFIPXVFZSA-N 354.494 3.513 0 3 FHAF CC(C)(C)Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1 66165858 DTDYZLBFRMXQPB-UHFFFAOYSA-N 358.225 3.983 0 3 FHAF COc1ccc2sc3c(c2c1)N(Cc1ccccc1C)CCNC3=O 3647217 CMSHFTOEGDZOAU-UHFFFAOYSA-N 352.459 3.968 0 1 FHAF COC[C@]1(O)C[C@@]23CC[C@@H]4[C@H](C(=O)OC)CCC[C@@]4(C)[C@@H]2CC[C@H]1C3 2356287798 PZXPTSNNDBIDFH-GIXGDULASA-N 350.499 3.560 0 1 FHAF COc1ccc(S(=O)(=O)N2CCc3cccc(-c4cccnc4)c32)cc1 114316723 LLAVBJNEMOCJOT-UHFFFAOYSA-N 366.442 3.509 0 1 FHAF CCOC(=O)C1=CC[C@H](COCc2ccc(-c3ccccc3)cc2)NC1 26832994 JWINUVCJZHJYBD-OAQYLSRUSA-N 351.446 3.722 0 1 FHAF COC(=O)C=C(C)CC[C@@H]1C(C)=C[C@H](O)[C@@H]2[C@@](C)(CO)CCC[C@@]12C 2356440583 HXAKMRKMIMKHHX-ZVXZJYCBSA-N 350.499 3.628 0 1 FHAF COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C21CC1 34095713 WFIXBTKQRNWAEU-UHFFFAOYSA-N 364.376 3.733 0 1 FHAF O=C(c1ccncc1F)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 71330460 OYJUZWUTANVDTM-SLYNCCJLSA-N 354.425 3.513 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2cnccc2c1=O 49069278 MVRPGBDUYQGYFE-UHFFFAOYSA-N 356.381 3.810 0 1 FHAF CN1C(=O)[C@@H](Cc2ccc(C(C)(C)C)cc2)NC(=O)c2cc(Cl)ccc21 40763414 ANTSZBROFRSTGC-QGZVFWFLSA-N 370.880 3.955 0 1 FHAF O=c1ccoc2cc(OCc3cn(Cc4cccc(Cl)c4)nn3)ccc12 84725983 YOOOMZNRGBPDPU-UHFFFAOYSA-N 367.792 3.665 0 1 FHAF CC(=O)c1nc(C(=O)NCCc2ccc(O)cc2)cc2c1[nH]c1ccccc12 73197743 XHHABJFVNYNXCX-UHFFFAOYSA-N 373.412 3.597 0 1 FHAF biogenic CCOc1cc(-c2cc(=O)n3ncc(-c4nc(C)co4)c3[nH]2)ccc1Cl 653672740 IZXBKTWWMUBHGO-UHFFFAOYSA-N 370.796 3.705 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc(Br)c3[nH]1)C2 587246185 DJGHPIKLIPTCAM-SFHVURJKSA-N 372.266 3.677 0 1 FHAF CCc1nccn1C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578159 QKVBESQZDGSXQZ-RXVVDRJESA-N 364.401 3.572 0 1 FHAF Cc1[nH]c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C=O 587593006 ZWNMKDDGMFYXBD-GHTZIAJQSA-N 363.369 3.853 0 1 FHAF Cc1cc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2c(C)n1 587122842 DXNWRUSSMZPATR-PRHODGIISA-N 350.348 3.746 0 1 FHAF Nc1ncc(Cl)nc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587086047 CXFPOUAGHUQYQR-UHFFFAOYSA-N 364.114 3.808 0 1 FHAF COC(=O)C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352610 PJQJCQXMVVRMIO-PZJWPPBQSA-N 372.392 3.848 0 1 FHAF COCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587586170 HWZIEIIQTAAZRZ-NQIIRXRSSA-N 363.369 3.637 0 1 FHAF Cc1sc(=N)[nH]c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587854782 UAJGZQHNEWEWBO-MLXNANBUSA-N 370.291 3.563 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ccc(Cl)nn13)CC2=O 587458797 BJRBJLSBUSCTEK-LJQANCHMSA-N 371.824 3.921 0 1 FHAF CCc1c([C@H](C)C(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992669 RKDSJERITCDKCD-NSHDSACASA-N 361.397 3.991 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1O 587606741 FUSDTSBVCKPCGW-FXAWDEMLSA-N 350.326 3.506 0 1 FHAF COc1cc2c(cc1OC)[C@H](C[C@H](C)C(=O)OC(C)(C)C)N(C)[C@@H](C)C2 962618858 DZGVXBSBKHPAAJ-ZQIUZPCESA-N 363.498 3.989 0 1 FHAF COc1cccc(-c2cnnc(N(C)Cc3cccc4cnccc34)n2)c1 12209302 LYQGOMIXVFXFFU-UHFFFAOYSA-N 357.417 3.732 0 1 FHAF Oc1ccc(CN[C@H]2CCCc3c2cnn3-c2ccccn2)cc1Cl 12437798 RGHBZVOJDXJRNA-INIZCTEOSA-N 354.841 3.794 0 1 FHAF COc1cc(-c2[nH]cnc2-c2ccc(N(C)C)cc2)cc(OC)c1OC 13473123 ZPUPIQYDFYKWFW-UHFFFAOYSA-N 353.422 3.836 0 1 FHAF CC[C@H](C)OC(=O)N1c2cc(OC)ccc2NC(=S)[C@@H]1CSC 13474537 UOHSDUSTTSLJDN-HZMBPMFUSA-N 354.497 3.921 0 1 FHAF c1cc(CN2CCCC2)cc(-c2n[nH]c(-c3ccc4c(c3)OCCO4)n2)c1 13589619 DRDZEWGTUSKAQJ-UHFFFAOYSA-N 362.433 3.506 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4C5=C(CC[C@@]4(C)[C@H]2CC[C@H]1C3)OCC5 169304515 PFBDJHPYAAHUPA-NHKSNPOZSA-N 360.494 3.972 0 1 FHAF Cc1nc(C)c(C(=O)Nc2cccc([C@]3(C)CCSC(N)=N3)c2)s1 169694563 NUZCFGNROCWTRI-KRWDZBQOSA-N 360.508 3.679 0 1 FHAF COc1c([C@H](CO)C(C)C)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 1857763184 IYUVXRIYTHLTLH-OAHLLOKOSA-N 372.417 3.904 0 1 FHAF Cc1ccc(-c2nc(N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1 752872 GHKYEWNJMUUUID-UHFFFAOYSA-N 361.445 3.949 0 1 FHAF CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 6724138 NDDCAUFLATXOBO-MSOLQXFVSA-N 356.491 3.821 0 1 FHAF Cc1c(CNCc2cccnc2)c(C(=O)O)c(C)n1Cc1ccccc1F 8932419 WAWUAZXTZMAHCY-UHFFFAOYSA-N 367.424 3.675 0 1 FHAF CCN(C[C@@H]1CCCO1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 11661802 SLBRYAYKBOUJOD-HNNXBMFYSA-N 373.453 3.843 0 1 FHAF CCN1CCC[C@@H]1CNc1ncnc2onc(-c3ccc(Cl)cc3)c12 20329714 CRBUWGABDPXDNM-CQSZACIVSA-N 357.845 3.834 0 1 FHAF COc1cc(CN2CCC[C@H](N(C)Cc3ccccc3)C2)cc(OC)c1O 23373856 XXZVIEBEEKZNFA-IBGZPJMESA-N 370.493 3.506 0 1 FHAF CCOC(=S)SCCCCC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)O 26027746 XCEGTJICXSRMRQ-FNWMBBJUSA-N 373.540 3.732 0 1 FHAF Cc1cc([C@@H](c2cccc(C(F)(F)F)c2)N2CCN(C)CC2)sn1 28254053 NCDVQRFSUUYXKE-MRXNPFEDSA-N 355.429 3.807 0 1 FHAF Cc1ccccc1NC(=O)N1CCN(Cc2cnc3ccccc3c2)CC1 34640916 SKRBXXTZVAVANZ-UHFFFAOYSA-N 360.461 3.893 0 1 FHAF CC(C)NC(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1 40892349 CCBGUQREWCXYKL-RBBKRZOGSA-N 367.537 3.778 0 1 FHAF O=C1Nc2ccccc2[C@@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 45245268 FLWGBLAHZZXWDD-INIZCTEOSA-N 368.286 3.575 0 1 FHAF CCCc1ccc(S(=O)(=O)Oc2ccc(Cn3ccnc3)cc2)cc1 58581094 QTNZNZVMIMWDCV-UHFFFAOYSA-N 356.447 3.652 0 1 FHAF CCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@H]2CO 95877933 NVJLVHOQCBPQQV-PIPMEXSNSA-N 368.452 3.603 0 1 FHAF COc1ccc(-c2csc(NC(=O)c3snnc3C)c2)cc1OC 96282750 GVHIBFNAMZIQEZ-UHFFFAOYSA-N 361.448 3.845 0 1 FHAF Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3OC[C@@H](C)F)c12 118737735 LBMFODKVTLYQLI-MRVPVSSYSA-N 362.386 3.573 0 1 FHAF C[C@H]1Oc2c(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cccc2NC1=O 169704852 TWCGLMWGYCDORZ-VNQPRFMTSA-N 365.433 3.864 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCOc2ncsc21 220855623 CXHKBRQQMRUUQA-JTQLQIEISA-N 357.262 3.941 0 1 FHAF CC(=O)N[C@@H](C)c1ccc2nc(N3CC(Oc4cccc(C)c4)C3)oc2c1 584591152 WHZUKZRGOSZNFR-AWEZNQCLSA-N 365.433 3.601 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4cnc(Br)cc4[nH]3)oc12 586903317 IMAOOLDWFGYVLX-UHFFFAOYSA-N 372.178 3.955 0 1 FHAF CC[C@@H]1OCCC[C@H]1c1nc2cccc(I)c2[nH]1 586910537 IHAWXYZZQRANAH-SKDRFNHKSA-N 356.207 3.840 0 1 FHAF COC(=O)c1ccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2c1 587026783 IJVWDCJLJGAHQA-UHFFFAOYSA-N 353.403 3.965 0 1 FHAF OCCc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134140 JBTLMKZQAXBXOE-DUXPYHPUSA-N 354.278 3.964 0 1 FHAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cncnc3[nH]2)c1 587147233 HNQOLTDTUJENIJ-UHFFFAOYSA-N 364.336 3.533 0 1 FHAF Fc1cc(Br)cnc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587155539 NTMSQFUFUCWDGB-UHFFFAOYSA-N 361.096 3.940 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCCCC(=O)O)cc1)O2 587402441 XSGVACQRWONKKS-NRFANRHFSA-N 369.417 3.701 0 1 FHAF CCOC(=O)c1oc2c(c1C)[C@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587413627 SVIVXAUEHIZMEL-NRFANRHFSA-N 369.417 3.852 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ncc(Br)cc1C)[C@@H](C2)C3=O 587420567 XWKXTGPJHVASFC-SJCJKPOMSA-N 360.207 3.650 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1[C@@H]1CCCCO1)CC2=O 587475170 JVZBYFFLTRGZHL-MOPGFXCFSA-N 356.422 3.947 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(OC)cc31)CC2=O 587494417 YHPYDPLMWVXTGU-OAQYLSRUSA-N 354.402 3.997 0 1 FHAF O=Cc1ccc(OCCc2nc3cc(Br)c(F)cc3[nH]2)cc1 587566860 ZCTLRUKVWDNBOK-UHFFFAOYSA-N 363.186 3.899 0 1 FHAF CC(=O)SCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611596 GUYCQWHQCWZHQO-DOTOQJQBSA-N 358.415 3.782 0 1 FHAF CC(=O)SCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611599 GUYCQWHQCWZHQO-WBVHZDCISA-N 358.415 3.782 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccnc2Cl)N1 587707412 VLCLHRBEBQEYLU-GLEZIHRCSA-N 370.653 3.829 0 1 FHAF COCCn1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587754437 MBWNLESYXSHALE-PIGZYNQJSA-N 367.262 3.660 0 1 FHAF CCn1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587763468 JMFKLCYUXKCMRN-HWPZZCPQSA-N 352.251 3.602 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCC[C@H](C2)N3C)N1 587773140 JIKASWSDNCOYFE-NASWQRNTSA-N 367.306 3.964 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(C=O)c2)N1 587823599 VHYPCBBKRYBHFR-HUTHGQBESA-N 364.214 3.730 0 1 FHAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587934677 DSYXRXTWBANRHS-BJOHPYRUSA-N 351.328 3.822 0 1 FHAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 587936121 ZFAVWPLGTPZQFS-UHFFFAOYSA-N 352.365 3.981 0 1 FHAF COc1cc2c(cc1OC)[C@]1(C[C@H]3CC[C@]1(C(=O)O)C3(C)C)N(C)[C@H](C)C2 962576330 WSHJQKFPCALFIY-WYTYWQRASA-N 373.493 3.686 0 1 FHAF Cc1nc(C)c2c(C)c([C@@]3(C)c4ccsc4CCN3C(N)=O)sc2n1 962705547 NUAJGKABBNZWCA-GOSISDBHSA-N 372.519 3.878 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@H](c3cccc(-c4cccnc4O)c3)c3cccc1c32 963021505 HPAFWTMZTNFFJR-ZHRRBRCNSA-N 371.440 3.597 0 1 FHAF Cc1ccnc2c1CCN[C@@]2(c1ccc(C2OCCO2)cc1)C1CCC1 963078127 WZPSBFOYDWYWIZ-JOCHJYFZSA-N 350.462 3.625 0 1 FHAF Cc1cccc(C)c1-c1cccc(COc2cn(CCC(=O)O)nn2)c1 1772590938 YQIMJWDYUNNVGS-UHFFFAOYSA-N 351.406 3.616 0 1 FHAF c1cncc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)c1 1772620913 HYEYECAHBQKXSG-UHFFFAOYSA-N 363.384 3.907 0 1 FHAF Cc1ccc(-n2cnnc2-c2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1 1857610123 WSJAPPMZVLWPFU-HNNXBMFYSA-N 373.460 3.576 0 1 FHAF CC1=C(C(=O)OC(C)C)[C@H](c2cscn2)N2C(=N1)Nc1ccccc12 1911581207 LECCKZCZUGVWQG-INIZCTEOSA-N 354.435 3.712 0 1 FHAF CCCc1cc(O)cc(OC)c1Oc1cc(O)cc2c1C(=O)O[C@H](C)C2 2356723109 ZAIGHFQKDSUUHZ-LLVKDONJSA-N 358.390 3.953 0 1 FHAF N[C]1SC2=C(CCCC2)N1CC(=O)c1ccc(Br)cc1 2356861786 WYDOMMGUGDVNRI-UHFFFAOYSA-N 352.277 3.872 0 1 FHAF CC1=C[C@H](CNC2CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356875351 ZPALJZANJMAWRT-LZLYRXPVSA-N 369.513 3.619 0 1 FHAF C[C@H]1CC(=O)NN=C1c1cc2ccc(OCCN3CCCCC3)cc2s1 597825 VMMMKQICQWZCCZ-AWEZNQCLSA-N 371.506 3.626 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@@H](c3cccc(CF)c3)CN1CC2 6733239 OQMKJZHTWPQABR-AQNXPRMDSA-N 370.468 3.587 0 1 FHAF O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CCCN(C2CCC2)CC1 53295240 NHCZJSNZHJEPBN-UHFFFAOYSA-N 369.440 3.713 0 1 FHAF O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1c(O)ccc2ccccc12 29317535 DUTIEFRXZWLKBA-SFHVURJKSA-N 359.303 3.752 0 1 FHAF CC(C)(C)[S@@](=O)N1Cc2cc(CO)cc(-c3ccccc3)c2[C@@H]1CCO 61943214 PALLFENXEJWIEV-SIBVEZHUSA-N 373.518 3.547 0 3 FHAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356431159 DXINWPCQBUXMER-WBRBUEBZSA-N 350.414 3.529 0 1 FHAF NCCN(CCN)CCNC1CCCCCCCCCCCCCC1 22443106 MZEWJEFTDDKVLC-UHFFFAOYSA-N 354.627 3.639 0 1 FHAF CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)c(O)cc1O 14762950 WHPDMWPIFCRONU-UHFFFAOYSA-N 354.358 3.791 0 1 FHAF biogenic,in-vitro CC1(C)CCc2c(O)cc3c(c2O1)[C@H]1Oc2cc4c(cc2[C@@H]1CO3)OCO4 13378610 BNJPLSYAABGQMS-BUXKBTBVSA-N 368.385 3.834 0 1 FHAF biogenic CCCCC[C@@H](C[C@H](O)CCc1ccc(OC)c(OC)c1)OC(C)=O 15256961 MVMCYBCRYZSVDR-MSOLQXFVSA-N 352.471 3.899 0 1 FHAF biogenic C=CC(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1Cl 218986828 VARYBRIEQWFKQW-UHFFFAOYSA-N 370.796 3.580 0 1 FHAF CN(C)Cc1cc(CC(N)=O)ccc1Oc1ccc(Cl)c(Cl)c1 40379629 WNUWIJYSIXZFML-UHFFFAOYSA-N 353.249 3.875 0 1 FHAF CCC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(O)c2)NC(=S)N1 73314328 SGDOJKYPAOQPNF-GOSISDBHSA-N 374.506 3.699 0 1 FHAF CCCc1c(Cn2ccnc2-c2cc(F)ccc2F)ncn2nc(C)nc12 138892030 ZVMBXSFOUZHVFX-UHFFFAOYSA-N 368.391 3.575 0 1 FHAF CCOc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCC(C)C)n2)cc1 82195879 SICMSQHLCUJTNT-SFHVURJKSA-N 373.522 3.950 0 1 FHAF CCCC(=O)Oc1ccc([C@@H](O)CNC(C)(C)C)cc1OC(=O)CCC 148091464 FADMUJOBNLZSGL-HNNXBMFYSA-N 365.470 3.519 0 1 FHAF CCOC(=O)[C@@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 84669560 FBGPUQHNRKUKMC-SFHVURJKSA-N 371.502 3.744 0 1 FHAF Cc1cc2c(N[C@H]3CCNC3)c(-c3nc4ccccc4[nH]3)c(O)nc2s1 299824526 HLDBXBPGSYFYTE-NSHDSACASA-N 365.462 3.627 0 1 FHAF Cc1cc(-n2c(O)cc(-c3ccco3)c2O)nn1Cc1ccccc1F 587946258 TYTHLGCKFMKWIN-UHFFFAOYSA-N 353.353 3.841 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1N1CCOCC1)CC2=O 587477358 XPFMIWZMNOWHEO-NRFANRHFSA-N 367.445 3.888 0 1 FHAF O=S(=O)(/C=C\c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1 586925204 XBBLLXXDGXJXCF-SREVYHEPSA-N 354.218 3.709 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(=O)c3cccnc3)cc1)O2 587393851 AMYTWGFDIKECOZ-HXUWFJFHSA-N 374.396 3.898 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)NCCCOC 587860411 TZRBVEBMCPLNQI-UHFFFAOYSA-N 372.252 3.850 0 1 FHAF COc1cc2c3c(c1)O[C@](CC(=O)Nc1ccccc1)(C(C)C)[C@@H](C2)C3=O 587431979 IXBFOKOQGZOAJS-HTAPYJJXSA-N 365.429 3.866 0 1 FHAF COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587422463 PSANWAKFWAFFNT-ACJLOTCBSA-N 358.777 3.624 0 1 FHAF COC(=O)C1=C[C@@]2(CCC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587811798 XGCDCBBQXJPMQF-DYZYQPBXSA-N 368.246 3.601 0 1 FHAF CC[C@@H]1OCCC[C@@H]1c1nc2cccc(I)c2[nH]1 586910535 IHAWXYZZQRANAH-CABZTGNLSA-N 356.207 3.840 0 1 FHAF CC[C@H]1OCCC[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586914883 ZEJRHVJXGCJAKT-JOYOIKCWSA-N 353.216 3.696 0 1 FHAF Cn1ncc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587583979 XTDSOKCUUYFVEH-KNQAVFIVSA-N 372.380 3.982 0 1 FHAF COc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1OC 587178222 VUIYTZNINDGWJT-UHFFFAOYSA-N 352.163 3.544 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cncn23)N1 587774721 XBPXJSVNBBOKND-BMLIUANNSA-N 360.230 3.860 0 1 FHAF O=C(NCc1nc2cc(Cl)ncc2[nH]1)c1cccc(C(F)(F)F)c1 587111110 IZDJZOIYYCGMMF-UHFFFAOYSA-N 354.719 3.560 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)cc4c1O[C@@H](C)C4)[C@@H](C2)C3=O 587452123 DGLFVOSAPRXISU-QYAMTVPHSA-N 352.386 3.516 0 1 FHAF CCC[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793419 DYTLANNVGDUBJH-QFYYESIMSA-N 358.251 3.681 0 1 FHAF CCCn1cnc2cc(-c3nc4c(N)ccnc4[nH]3)cc(Br)c21 587003745 MIBPGLUBPRZCHP-UHFFFAOYSA-N 371.242 3.729 0 1 FHAF COc1ccc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2c1 586969979 DJIPZFFNBKGAJA-UHFFFAOYSA-N 355.463 3.794 0 1 FHAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c[nH]1 587060515 GPAQRJUYZBBZCE-UHFFFAOYSA-N 361.796 3.629 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3[nH]c(O)cc32)N1 587806867 WETVXHNKSORMTF-XYZCENFISA-N 365.246 3.736 0 1 FHAF C[C@@]1(c2ccc(CNC3CC3)c(Cl)c2)NCCc2c(C(=O)O)cccc21 963128987 CPALPEKWZDXSJK-NRFANRHFSA-N 370.880 3.699 0 1 FHAF COc1ccc2c(c1OC)[C@](C)(c1cccc3ncoc13)N(C)[C@H](C)C2 962629784 PYYQLQNRBHCVKG-ASSNKEHSSA-N 352.434 3.985 0 1 FHAF COc1ccc2c(c1OC)[C@@](CCN(C)C)(c1cccs1)N(C)[C@@H](C)C2 962626917 GHNSLWILRQOOTK-YCRPNKLZSA-N 374.550 3.837 0 1 FHAF CCCOc1ncccc1[C@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962639244 VPXFPOVPBXDBQN-KUHUBIRLSA-N 356.466 3.853 0 1 FHAF COC[C@@H](C)[C@@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955513 LCPPRSSYVBDSHL-CXAGYDPISA-N 357.416 3.855 0 1 FHAF Cc1cccc2c1-c1sc(C(=O)NCCCN3CCCC3)cc1CO2 5048823 GHZPVTPYZWERCL-UHFFFAOYSA-N 356.491 3.832 0 1 FHAF O=S(=O)(c1ccccc1)n1ccc([C@H](c2ccccc2)n2ccnc2)c1 5974677 NNLPAUMVENVOMJ-FQEVSTJZSA-N 363.442 3.559 0 1 FHAF CCN(C)C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714332 YVIDYXUZAGTSTP-FMRFCHHCSA-N 358.526 3.737 0 1 FHAF CCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C(=O)O)cc1 1633153 HWXIYSHIOLVZBC-UHFFFAOYSA-N 360.460 3.874 0 1 FHAF CCOc1ccc(NC(=O)CSc2cc(=O)n(C)c3ccccc23)cc1 5007758 RGUGJZHOYJQUNK-UHFFFAOYSA-N 368.458 3.668 0 1 FHAF O=C(CCc1c[nH]cn1)NCC[C@H](c1ccc(Cl)cc1)c1ccccn1 13490244 BTMIKSCMGOOYRY-GOSISDBHSA-N 368.868 3.729 0 1 FHAF COC1=C[C@@H](OC)c2ccc3cc(OC)c(OC)c(OC)c3c2[C@H]1OC 40836548 SWBYAKHCJSRELV-ACJLOTCBSA-N 360.406 3.785 0 1 FHAF COc1ccc(-c2cncc(-c3ccc(OC)c(OC)c3)n2)cc1OC 45189142 BWJDZYAXQXLZFK-UHFFFAOYSA-N 352.390 3.845 0 1 FHAF CCC[C@@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23 95554353 MKWYNMOMAKOQKY-OAHLLOKOSA-N 354.450 3.798 0 1 FHAF COc1ccc(N(C)C(=O)Oc2cccc3c2[C@H](CCC(=O)O)CN3)cc1 95564611 QBFXFWZZCFBLJE-CYBMUJFWSA-N 370.405 3.704 0 1 FHAF COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cncc2ccccc12 114029423 MBHABKPKMXFFRR-UHFFFAOYSA-N 354.431 3.815 0 1 FHAF CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3c(C)ccn3C)cc1)N2 169326391 HBQKMASEGGGNBY-YRPNKDGESA-N 352.478 3.788 0 1 FHAF COc1ccc(CNS(=O)(=O)c2[nH]c3ccc(Cl)cc3c2C)cc1 203662753 WCJCYNDCNOJHGS-UHFFFAOYSA-N 364.854 3.617 0 1 FHAF CC[C@@H](C)C(=O)c1c(O)cc(O)c2c1O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C2 215403177 CQKLJJCVXBOQJX-HFRPNRNYSA-N 362.466 3.817 0 1 FHAF COc1ccc(-c2[nH]c(=N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 473100635 IXWZTRQOXYICGJ-UHFFFAOYSA-N 372.446 3.924 0 1 FHAF CCOC(=O)c1ccc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2c1 586882399 ROFKVIXSOKBKKR-UHFFFAOYSA-N 364.401 3.668 0 1 FHAF Clc1c(Br)cnc2[nH]c([C@@H]3COc4ccccc4O3)nc12 586918829 RSWOCTVPSYMQJF-JTQLQIEISA-N 366.602 3.886 0 1 FHAF Clc1ncc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)nc-2[nH]1 587017851 RJUIRNUFDMCPSX-UHFFFAOYSA-N 355.810 3.683 0 1 FHAF Cc1cc(F)c2[nH]c(C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 587093404 DKERBQNFCSCDFV-AWEZNQCLSA-N 359.348 3.768 0 1 FHAF Fc1cc2c(c(Cc3nc4cccc(Br)c4[nH]3)c1)OCOC2 587172150 XMQWKRPPEVAHFM-UHFFFAOYSA-N 363.186 3.922 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(OC)ncc4[nH]3)c2)c1 587236761 ZCXONOQRMAIDLP-UHFFFAOYSA-N 372.428 3.584 0 1 FHAF COC(=O)Nc1ccc(-c2nc3cc(Br)cc(C)c3[nH]2)cn1 587245071 NJPBWIPNWCNIDL-UHFFFAOYSA-N 361.199 3.874 0 1 FHAF Nc1cccc(C(=O)O)c1-c1nc2cc(Br)cc(Cl)c2[nH]1 587248172 GZLAZPXCOJFLDM-UHFFFAOYSA-N 366.602 3.926 0 1 FHAF CC(C)[C@H](N)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587259545 VFUUFSWVJKLOKR-VIFPVBQESA-N 352.154 3.880 0 1 FHAF Cc1ccc(F)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276135 JZTZZJCYOKOHIG-UHFFFAOYSA-N 364.170 3.761 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(NC(=O)C(F)(F)F)c1)O2 587382037 MSFYOEZPBQAPLZ-OAHLLOKOSA-N 364.323 3.785 0 1 FHAF COC(=O)C[C@@]1([C@@H](C)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399980 ONHPBMIQUSICRZ-LHSJRXKWSA-N 353.418 3.648 0 1 FHAF C[C@@]1(c2cc(N)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554299 CYQRUJGLDPWBGH-RXVVDRJESA-N 365.360 3.991 0 1 FHAF C[C@]1(c2cn3ccccc3n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584654 ABFCOXIWJHCFSO-DENIHFKCSA-N 372.380 3.917 0 1 FHAF Cc1ccc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1 587652060 KLIXDXLIIWJAAE-ZDUSSCGKSA-N 356.809 3.774 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)cn2)N1 587706656 RMZZSWCWDFIUOA-WJWGPLDTSA-N 356.626 3.655 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)cn2)N1 587707443 VSXHANOHDWUCMD-NXSYQRQQSA-N 356.626 3.655 0 1 FHAF Cc1[nH]c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C=O 587790918 KFVQUKXJFUMXMM-WNWIJWBNSA-N 365.246 3.969 0 1 FHAF COC(=O)[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587804218 DANURWOCYSXXNM-WVQJBOLRSA-N 370.262 3.681 0 1 FHAF C[C@]1(c2ccc(F)cc2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976671 NTRBJSOCJBANSC-CXAGYDPISA-N 355.743 3.620 0 1 FHAF O=C(O)C[C@@H](NC(=O)c1cccc(Br)c1)c1ccccc1F 1857630074 KRGNVVOKGCOVFU-CQSZACIVSA-N 366.186 3.534 0 1 FHAF CC1=C(C(=O)OC(C)C)[C@@H](c2cnsc2)N2C(=N1)Nc1ccccc12 1911582157 IUFCKLBTUOXRKO-MRXNPFEDSA-N 354.435 3.712 0 1 FHAF COC(=O)[C@@H](C)NC(=O)CCCCCCCC=CCCCCCCO 2356335325 XWFACHYZFVZDPE-GOSISDBHSA-N 355.519 3.894 0 1 FHAF Cc1cc(O)c(C=O)c(C)c1CC[C@](C)(O)C=Cc1cc(O)ccc1O 2356454385 KIRQMFOOLNMKGC-OAQYLSRUSA-N 356.418 3.630 0 1 FHAF C[C@@H]1[C@H](O[C@]2(C)OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@H]2C)OC(=O)[C@@H]2[C@H](C)CC[C@H]12 2356629504 HXFBSJZTEMCZFX-HAPMSOACSA-N 364.482 3.756 0 1 FHAF COCc1ccc(C(=O)N2CCC[C@@H](N(C)CCc3ccccc3)C2)s1 11816243 FCJBJQPMWUMYIL-GOSISDBHSA-N 372.534 3.674 0 3 FHAF Cc1ccc(C2(c3noc(CN4C[C@H](C)O[C@H](C)C4)n3)CCCC2)cc1 13594235 YSKZLKOLMXRCOF-CALCHBBNSA-N 355.482 3.847 0 3 FHAF O=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)C1CCCC1 14967467 SJQLXBGPLXVYRW-UHFFFAOYSA-N 352.482 3.849 0 3 FHAF c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)nc1 26438687 NAOKADXNRCMONT-NRFANRHFSA-N 374.492 3.721 0 3 FHAF COc1cccc(CN2CC[C@@H]3COC(=O)N3c3cc(C)ccc3C2)c1 2356293183 DEGQOJLMZYBVIM-GOSISDBHSA-N 352.434 3.735 0 1 FHAF O=C1CCN(C(=O)CCc2c[nH]c3ccccc23)C[C@H]1Cc1ccccc1 27625905 ABVRPWLCNGXHIF-LJQANCHMSA-N 360.457 3.761 0 1 FHAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2cccc(Cl)n2)/C1=C(/O)OC(C)C 29479637 CQWHYYDTODCNGU-UMWKZLPKSA-N 351.790 3.996 0 1 FHAF COCCc1cc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)on1 26492407 MSCOFUBJPOEXHN-UHFFFAOYSA-N 371.437 3.850 0 1 FHAF CC(C)c1ccc(C(=O)C[C@H](SCC(=O)O)C(=O)O)c(C(C)C)c1 28472422 YRGUWZWVLMQROJ-INIZCTEOSA-N 352.452 3.777 0 1 FHAF COc1cc([C@@H]2OC[C@@H](Cc3cc(OC)c(O)c(OC)c3)[C@@H]2C)ccc1O 2356418268 DHWYNFQVHPLJKU-QURLWZIUSA-N 374.433 3.690 0 1 FHAF CC=Cc1cc(OC)c2c(c1)[C@H](CO)[C@@H](c1cc(OC)c(O)c(OC)c1)O2 2356463802 NIYWVYHPXJLJBK-MGPUTAFESA-N 372.417 3.661 0 1 FHAF CC(=O)O[C@@H]1C[C@](C)([C@H](O)CO)C[C@@H]2CC[C@]34C[C@]3(C)CCC[C@H]4[C@]21C 2356494080 QSSODZDQQRKYEP-SVMKMBGISA-N 364.526 3.684 0 1 FHAF COc1ccccc1O[C@@H]1O[C@H](OCc2ccc3c(c2)OCO3)[C@H](C)[C@H]1C 2356668742 AATADWOXOWGJLR-RINLGRHXSA-N 372.417 3.974 0 1 FHAF C[C@H](C(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 26391571 VFTOBPQVFABRND-ITNQHEPMSA-N 359.510 3.963 0 1 FHAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]ncc1C 219101064 AKGOJDBWMDJQCK-UHFFFAOYSA-N 356.429 3.805 0 1 FHAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)C[C@H]12 74378978 TXNDOHJRJYWPRV-WMLDXEAASA-N 358.800 3.663 0 3 FHAF CN(C)CCc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)cc1 72142777 VJNBQLJMZOWUIM-UHFFFAOYSA-N 358.449 3.868 0 1 FHAF c1cnc(N2CCN(Cc3coc(-c4cccc5ccccc45)n3)CC2)nc1 72103806 ZULYOHAEIXFQAJ-UHFFFAOYSA-N 371.444 3.607 0 1 FHAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccco1 82141836 FQTFDEQUYTVKOH-ZBFHGGJFSA-N 354.454 3.645 0 1 FHAF O=C(O)[C@H]1C[C@](O)(c2ccccc2Cl)[C@@H](c2ccccc2Cl)O1 40860602 OQZQSZCOZXBNDI-INMHGKMJSA-N 353.201 3.796 0 1 FHAF CCOc1ccc2cc3[n+](cc2c1OCC)CCc1cc2c(cc1-3)OCO2 40877282 ZPNBRTVNAKYAGJ-UHFFFAOYSA-N 364.421 3.877 0 1 FHAF COc1ccccc1-c1csc(NCC(=O)NCc2ccccc2)n1 82192113 TUTLOFFGIVOTCP-UHFFFAOYSA-N 353.447 3.547 0 1 FHAF Nc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 96929469 ZRNCYWMVVCCKCJ-UHFFFAOYSA-N 365.220 3.571 0 1 FHAF c1cc(OCC[C@@H]2CCCCN2)c2nc(-c3nnc4ccccn34)ccc2c1 96174959 DIIUODQRBMKWMI-KRWDZBQOSA-N 373.460 3.856 0 1 FHAF CC(=O)[C@@H]1[C@@H](N2CC2)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254014670 YKAAPHAUSMBTTG-HAKPQJLDSA-N 357.538 3.809 0 3 FHAF O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H]1CCCO1)c1ccc2ccccc2c1 299821138 VONACKKTKYGFTQ-LRSLUSHPSA-N 364.489 3.744 0 1 FHAF CC(C)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574533 XGEJCYAMAZTWCW-JFSJNAAWSA-N 353.418 3.824 0 1 FHAF COc1cc(O)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602792 YWZRBTJRIPLBRI-NQIIRXRSSA-N 364.353 3.809 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CNC(=O)OC(C)(C)C)C(C)C)O2 587387211 OPSKPRBJMLNICS-RHSMWYFYSA-N 362.470 3.708 0 1 FHAF Cc1cc(F)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 587119555 ZIAKTXQGOGIEFN-UHFFFAOYSA-N 365.290 3.929 0 1 FHAF O=C1C[C@@]2(CCCC[C@H]2Cn2cncn2)Oc2c1ccc1c2CCCC1 587516880 FWDUQQZUABSGCE-HRAATJIYSA-N 351.450 3.751 0 1 FHAF CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587614828 VBHBSHGNPSFIPE-QAPCUYQASA-N 366.398 3.607 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3cc4c(cc3[nH]2)OCCCO4)c1C 587238489 AGLRLZCNXBCFGK-UHFFFAOYSA-N 351.406 3.522 0 1 FHAF CCc1nccnc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587772467 NYDNDZUCWSCMHN-QGHHPUGFSA-N 364.262 3.738 0 1 FHAF CN(Cc1nc2cccc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928531 BYDSYDDRMMLEGL-UHFFFAOYSA-N 370.261 3.690 0 1 FHAF COC(=O)c1ccoc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587829279 PYZVFENNGWQXEI-XLKFXECMSA-N 368.202 3.591 0 1 FHAF Cc1nc(O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590085 XORKILMKKJBVMD-GHTZIAJQSA-N 363.369 3.678 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC)cc(OC)c2[nH]1 586918676 ZQDPLIRDNDDLKR-VFNWGFHPSA-N 366.417 3.797 0 1 FHAF COCCN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587504646 KKEDBBCVOOLXOY-HXUWFJFHSA-N 366.461 3.750 0 1 FHAF O=Cc1ccc(OCc2occc2-c2nc3ccc(C(=O)O)cc3[nH]2)cc1 586901176 QUCROZJOTGMAIA-UHFFFAOYSA-N 362.341 3.913 0 1 FHAF O=C1C[C@@](c2nc[nH]n2)(c2cccs2)Oc2c1ccc1c2CCCC1 587529622 AJDFVOUCQNHQBN-IBGZPJMESA-N 351.431 3.654 0 1 FHAF C[C@@H]1COc2ccccc2[C@@]12c1c(Cl)ccc3c1CCN2[C@@H]3C(=O)O 962570935 HZRRKNPUWMTMOO-TZFGQJNGSA-N 355.821 3.610 0 1 FHAF COc1cc2c(cc1OC)[C@@](CC(C)=O)(c1ccc(F)cc1)N(C)[C@H](C)C2 962618884 FBOPVSUQDRTQBJ-JLCFBVMHSA-N 371.452 3.942 0 1 FHAF CCCN1C[C@@H]2C[C@H](C1)C21c2cccc(F)c2CCN1[C@H]1CCSC1 962718159 XQVOOZIUGXZUAU-VDXVPGQCSA-N 360.542 3.746 0 1 FHAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1ccnc2cn[nH]c12 962696915 HDPHBPOHDXPGPG-HXPMCKFVSA-N 354.454 3.550 0 1 FHAF Cc1nc(N2CCC[C@H]2C(=O)N[C@H](C)c2cccs2)nc2ccccc12 12453345 HSYMMPVHLDHCDZ-PBHICJAKSA-N 366.490 3.846 0 1 FHAF CC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1C1CCCC1 12478398 VOFPTXOPHMJVGG-AWEZNQCLSA-N 361.385 3.673 0 3 FHAF Cc1cccnc1N1CCN(CCc2c(C)n3c4c(cccc24)CCC3)CC1 13740398 VWZHQJKNCDQRCG-UHFFFAOYSA-N 374.532 3.964 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)C4CC4)[C@H]3CC[C@@H]12 169366216 SNGXJCVQBMSSNF-COHXAYOXSA-N 372.553 3.839 0 1 FHAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCc1ccncc1 1857563190 VHADHKREVMSHCI-VOTSOKGWSA-N 354.413 3.955 0 1 FHAF CC(=O)N1c2ccccc2N(Cc2ccccc2C(=O)O)C[C@H]1C1CC1 1857639697 PPKDQAUERJXIAY-FQEVSTJZSA-N 350.418 3.537 0 1 FHAF O=c1c2c[nH]c3ccc(Br)cc3c-2nn1-c1ccc(F)cc1 584654615 VYFBGFJUEMTYRP-UHFFFAOYSA-N 358.170 3.720 0 1 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCCOC 4214582 GTGWTYIHHBATTK-DLBZAZTESA-N 352.500 3.915 0 1 FHAF CCOC1(OCC)[C@@H]2c3ccccc3[C@H]([n+]3cccc(OC)c32)C1(C)C 100714946 MPNUBKWLWLDCCY-QUCCMNQESA-N 354.470 3.827 0 1 FHAF Cc1oc(-c2ccccc2)nc1CCCC[C@H]1CO[C@](C)(C(=O)O)OC1 101456279 CKMOMMWDPGJJAW-GSXCWMCISA-N 359.422 3.827 0 1 FHAF COC(=O)[C@H]1[C@@H](OC2c3ccccc3-c3ccccc32)C[C@@H]2CC[C@H]1N2C 27213362 JMAILUWJFFEWNB-MYDCNYLUSA-N 363.457 3.797 0 1 FHAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@H](c1ccccc1F)O3 28867392 FSIPURHGFCITFZ-GOSISDBHSA-N 367.424 3.858 0 1 FHAF COC(=O)C1=CCCC(C)=C[C@@H]2OC(=O)C(C)=C2C[C@H](O)C(C)=CCC1 2356429309 QXZPKAWLIRITRB-OALUTQOASA-N 360.450 3.545 0 1 FHAF C[C@@H]1[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C2)CN1C 2356691357 GYABRMDCDGXMRC-DQZYPYRRSA-N 372.597 3.780 0 1 FHAF CC1(C)CN(CCc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 61923220 UXPMGSXGPWHZSG-LJQANCHMSA-N 350.462 3.743 0 3 FHAF CCC[C@H](Nc1cncc(-c2ccc(CN)c(OC)c2)n1)c1cccnc1 34435174 IMINHDHASJGIQT-SFHVURJKSA-N 363.465 3.959 0 1 FHAF N[C@@H](CCCCCC(=O)c1ccon1)c1cnn(-c2ccc(F)cc2)c1 1911571982 HPNRVPHONJCSQC-KRWDZBQOSA-N 356.401 3.833 0 1 FHAF CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)o1 43020249 DZGPHYIVALBCKJ-UHFFFAOYSA-N 366.461 3.708 0 1 FHAF COc1cc2c(cc1OC)O[C@]1(CCO2)Oc2c(ccc3occc23)C1=O 14713719 IRNUVXYYVAFCSJ-HXUWFJFHSA-N 368.341 3.583 0 1 FHAF biogenic CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82134058 LTYXYSKFRBVJSI-IYBDPMFKSA-N 352.482 3.718 0 1 FHAF Fc1ccc([C@H](Cc2ccccc2OC(F)(F)F)N2CCNCC2)cc1 49035659 SQSFWPVYWBTHEX-KRWDZBQOSA-N 368.374 3.913 0 1 FHAF in-vivo CC(C)COc1cc(C(F)(F)F)ccc1C(=O)Nc1cc[nH]c(=O)c1 143246132 JUDYBFMPBKSTBB-UHFFFAOYSA-N 354.328 3.681 0 1 FHAF CCOc1cc2c(cc1OC)CC[n+]1cc3cc(OC)c(OC)cc3cc1-2 95564801 FLENPFRVQSMJBP-UHFFFAOYSA-N 366.437 3.775 0 1 FHAF COc1ccc(/C=C/C2=NN(C(N)=S)[C@@H](c3ccc(OC)cc3)C2)cc1 473137248 XHJMPFFFRUQWSJ-DPAQFELZSA-N 367.474 3.764 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)O2 587393160 GIHZWODKXOLWOQ-RDTXWAMCSA-N 374.481 3.948 0 1 FHAF COC(=O)[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587810552 URBRAHWNAUDCJU-HSOHIQCKSA-N 370.262 3.681 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1c(F)cccc1F)[C@@H](C2)C3=O 587423912 LIFGMRVCPFVLCN-YBTHPKLGSA-N 368.339 3.852 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccccn1)([C@H]1CCCNC1)CC2=O 587482861 JTTPAWKGPXCUSZ-NYHFZMIOSA-N 366.461 3.600 0 1 FHAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cccc(C(N)=O)c3[nH]2)c1 587242717 XZDUSWRFOKCVIS-UHFFFAOYSA-N 350.422 3.704 0 1 FHAF O=C(O)c1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587115995 IRRZSCUDCFJSDZ-UHFFFAOYSA-N 358.279 3.890 0 1 FHAF Cc1nc(Br)sc1-c1nc2cc3c(cc2[nH]1)OCCO3 587011837 SAICDBZYQWZNGP-UHFFFAOYSA-N 352.213 3.529 0 1 FHAF CCCCSc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587454425 YMVATDSTVRBJIB-RDTXWAMCSA-N 356.447 3.866 0 1 FHAF O=C1C[C@]2(CCN3Cc4ccccc4N[C@H]32)Oc2c1ccc1c2CCCC1 587521094 AEYHXQXEGLULEI-PKTZIBPZSA-N 360.457 3.927 0 1 FHAF CC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354542 UXFNHKFLCGZQIK-QUCCMNQESA-N 358.365 3.602 0 1 FHAF CCOC(=O)[C@@H](c1ccccc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439538 BKPHQFDYYBLFPT-ZWDAVXSWSA-N 366.413 3.548 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc3cn[nH]c3cc2[nH]1 587044053 YAMMDZKJNSBCNO-OAHLLOKOSA-N 369.837 3.748 0 1 FHAF CCOC(=O)[C@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587795273 IGEKLOVWQPCBIE-PIGZYNQJSA-N 372.278 3.927 0 1 FHAF COCc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587768547 DGVXQBBZPQBISQ-DYZYQPBXSA-N 365.246 3.753 0 1 FHAF CC(C)COc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652646 XJUPBUKDPUVCLA-UHFFFAOYSA-N 356.809 3.773 0 1 FHAF O=C(O)c1coc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962636931 JKKUXVQKQGMHDP-UGKGYDQZSA-N 374.440 3.814 0 1 FHAF Cc1cccc(-n2cccc2[C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962905330 ZWELQIUMPZOKTN-ICSRJNTNSA-N 350.393 3.613 0 1 FHAF O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2CC[C@@H](O)CCC2CCC2)cc1 13585535 BTPQFLLVGLESRX-PMACEKPBSA-N 373.493 3.640 0 1 FHAF CC(=O)CSc1nnc(CSc2ncccn2)n1C1CCCCC1 1325624 OCDSKWZMQVIZEY-UHFFFAOYSA-N 363.512 3.547 0 3 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc(OC)c1 100018440 YWQBSSHDDPKVNB-BDBAMQCISA-N 359.422 3.897 0 1 FHAF COc1ccc(NC(=O)C2=C(C)Nc3n[nH]cc3[C@@H]2c2ccccc2)cc1 64436711 ZEQWRLBAHQPONM-IBGZPJMESA-N 360.417 3.888 0 1 FHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)C[C@@]4(C)[C@@H]3CC[C@]12C 29405088 BVTWUBQLAWUICA-JMFNMADFSA-N 374.569 3.944 0 1 FHAF COC(=O)[C@@]12CCC[C@]3(C=N[C@@H]1OC)[C@@H]2CC[C@H]1[C@@H](C)c2ccoc2C[C@H]13 2356488960 FGFRIRFLGOVJNW-VRZXOWMESA-N 371.477 3.968 0 1 FHAF COc1ccc2c(c1OC)[C@@H](C)N1CCc3cc4c(cc3C1=C2)OCO4 34203394 MLNIAFHKPVBLLZ-GFCCVEGCSA-N 351.402 3.863 0 1 FHAF COc1cccc(CNC(=O)c2cc3cnc(-c4ccncc4)cc3[nH]2)c1 73142071 UOLREEVMBAZXFP-UHFFFAOYSA-N 358.401 3.564 0 1 FHAF CCN(C(=O)c1cnc(-c2cccc(F)c2C)cn1)c1ccc(OC)nc1 49072058 SYYCAJHVEXJGJI-UHFFFAOYSA-N 366.396 3.661 0 1 FHAF CC(C)CNc1ncnc2c1nc(-c1ccccc1)n2C[C@H]1CCCO1 82177772 DKBUKEBSHIYVAI-MRXNPFEDSA-N 351.454 3.740 0 1 FHAF CC(C)CNc1ncnc2c1nc(CC(C)C)n2CCc1ccccn1 82178057 HVASUQYSMJBLHU-UHFFFAOYSA-N 352.486 3.730 0 1 FHAF O=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ncnc3[nH]ncc23)cc1 95591524 GXAOAPJGDJRCES-UHFFFAOYSA-N 364.340 3.928 0 1 FHAF Nc1ncc(-c2cc([C@@H]3CCOC3)n([C@@H]3CCC(F)(F)C3)n2)cc1F 146483203 TXKAZJWITDULGC-ZYHUDNBSSA-N 352.360 3.531 0 1 FHAF CC(C)N(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)C 146567327 OQTAECXFWHHWIQ-UHFFFAOYSA-N 367.440 3.585 0 1 FHAF CC(C)C(=O)CC[C@H]1C(C(=O)O)=CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O 238779363 WIPXPVFNXVTASQ-YDGZCJQPSA-N 350.455 3.920 0 1 FHAF CCCCCCO[P@](=O)(O)OCCSC(=S)N1CCCC1 299825979 MNCZWKGCKJAVGD-UHFFFAOYSA-N 355.462 3.814 0 1 FHAF CCOc1cc(-c2cc(=O)n3ncc(-c4ncc(C)o4)c3[nH]2)ccc1Cl 653676858 ROUCFNSHRIYMCT-UHFFFAOYSA-N 370.796 3.705 0 1 FHAF CCOC(=O)Cn1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513327 ROXYGVSXBUUIGH-LJQANCHMSA-N 353.418 3.637 0 1 FHAF O=C(O)Cc1c(-c2ccccc2Br)[nH]c2c(C(=O)O)cccc12 587636913 PIKYGDKIVSDYAD-UHFFFAOYSA-N 374.190 3.923 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)C[C@@H]1C)O2 587396255 REJGTZIGIJREMI-AOMKIAJQSA-N 350.462 3.823 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3CN(Cc4ccccc4)C[C@H]31)O2 587398014 DHNMMXGCZCGDAZ-GWJPWWOOSA-N 362.473 3.823 0 1 FHAF COCCn1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587754428 MBWNLESYXSHALE-DIFFPNOSSA-N 367.262 3.660 0 1 FHAF O=C(O)c1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587121018 NRJAQMBZOYAETG-UHFFFAOYSA-N 364.205 3.689 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)OCO3)N1 587835884 REOZUWCVHOXMEI-XYZCENFISA-N 364.214 3.941 0 1 FHAF CC(=O)NC1(c2nc3ccc(Br)cc3[nH]2)CCC(C)CC1 587234117 GJJXHLWNTOIWIM-UHFFFAOYSA-N 350.260 3.867 0 1 FHAF COC(=O)c1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cn1 587196447 SWASTXWLDTYNFO-UHFFFAOYSA-N 372.428 3.951 0 1 FHAF COC(=O)CCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587811944 YAQNQCSBHGOCJT-BMIGLBTASA-N 358.251 3.897 0 1 FHAF CC(C)n1nccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582989 SKGYIYHJLFNDFB-PXNSSMCTSA-N 350.374 3.873 0 1 FHAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(C[C@@H]3C=CC[C@@H]32)N1 963173484 LMDHRWZCJRERAX-UHBQFPSRSA-N 357.759 3.749 0 1 FHAF COc1cc2c(cc1OC)[C@](CCCO)(c1ccc(F)cc1)N(C)[C@@H](C)C2 962620388 GNQNYWZKJNFRHH-NYHFZMIOSA-N 373.468 3.735 0 1 FHAF O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2F)c1 146724753 WTVJIZOUDVEZFE-UHFFFAOYSA-N 353.353 3.561 0 1 FHAF COc1ccc2[nH]c3c(c2c1)C[C@@H]1c2cc(O)c(OC)cc2CCN1C3 1772632672 YWASQRGNVBAZOS-LJQANCHMSA-N 350.418 3.546 0 1 FHAF CC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 14654125 PTVDSZPMJVQUCE-PCNMGJNWSA-N 362.510 3.892 0 1 FHAF O=C1Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2/C1=C/c1ccc[nH]1 14944870 GJJATVDARFZDOM-WDZFZDKYSA-N 355.760 3.834 0 1 FHAF COc1ccc([C@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@@H]2C)cc1OC 15217741 JRYJEMVPVZEOPW-YRBHPXEJSA-N 356.418 3.955 0 1 FHAF endogenous,in-man O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)c(Cl)c1 117724395 KVEVLQHABPKJPX-INIZCTEOSA-N 351.233 3.907 0 1 FHAF O=C(NC1CCCC1)C1CCN(c2nc3ccccc3n3cccc23)CC1 6782514 XOLQYNWZAKFIRS-UHFFFAOYSA-N 362.477 3.763 0 1 FHAF CCCOC[C@H](O)CCC[C@H](CCCc1ccc(C(=O)O)cc1)C(C)=O 27100726 SSUNVEZQHXROLL-AZUAARDMSA-N 364.482 3.871 0 1 FHAF C[C@H](CO)NC(=O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 40409747 GPRZPRFYHAPMHT-LLVKDONJSA-N 354.233 3.683 0 1 FHAF CC(C)Oc1cccc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 40940543 TYNQYOIULOAOAY-LJQANCHMSA-N 365.385 3.571 0 1 FHAF COc1ccccc1Cc1nnc2sc(COc3ccc(F)cc3)nn12 40974417 KLEXMYOLIVNQPD-UHFFFAOYSA-N 370.409 3.503 0 1 FHAF COc1ccc2c(O)c(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2c1 45497280 IRGONGYTFZACNS-UHFFFAOYSA-N 368.385 3.811 0 1 FHAF CN(CCOc1ccc2cc(C(=O)O)n(C)c2c1)c1nc2ccccc2o1 71341294 PPYUQLFSPABCOW-UHFFFAOYSA-N 365.389 3.533 0 1 FHAF CN1C(=O)C[C@@H](c2ccccc2)[C@H]1[C@H](O)c1ccc(-c2cccnc2)s1 73141859 GGJVIKJRBHCNKM-ORYQWCPZSA-N 364.470 3.858 0 1 FHAF COc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1 89454976 QEKAITOYZPOLHY-UHFFFAOYSA-N 365.477 3.594 0 1 FHAF C[C@H]1c2cc(COc3ccccc3)nn2CCN1C(=O)c1ccc(F)cc1 168075914 YSYLOVHLVDKWFB-HNNXBMFYSA-N 365.408 3.818 0 1 FHAF CCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(OC)cc12 169312087 SRBRBVPDWCAURZ-UHFFFAOYSA-N 365.477 3.777 0 1 FHAF COC(=O)/C=C\c1ccc(C[C@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 199973766 BZMKPFUJLLMWKQ-CGXXKNBTSA-N 373.880 3.780 0 1 FHAF C=Cc1ccc(S(=O)(=O)NCCNc2ccc3ccccc3c2)cc1 220460545 HEJZJHYKDKJBRZ-UHFFFAOYSA-N 352.459 3.873 0 1 FHAF CCCCC[C@]1(C)C=C[C@@H]2[C@H](O)C[C@H](O)[C@@H]2CC=CCCCC(=O)O1 253632555 HWOPMIJWXGQTJL-WVXKDWSHSA-N 350.499 3.913 0 1 FHAF COc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1 299830916 YVRDRPULJUBXDP-UHFFFAOYSA-N 362.385 3.625 0 1 FHAF Brc1c[nH]c2nccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c12 587002985 IRRKUPJFQXBNHI-UHFFFAOYSA-N 353.183 3.745 0 1 FHAF CCS(=O)(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587102416 PZMAXRGRHNPAEW-UHFFFAOYSA-N 351.427 3.689 0 1 FHAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc3c(cc2[nH]1)OCO3 587108901 ILJPBIFSEZBJMN-UHFFFAOYSA-N 350.252 3.676 0 1 FHAF Nc1c(F)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F 587134164 AHYAUUDEFSGLAO-UHFFFAOYSA-N 359.561 3.901 0 1 FHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc(Cl)c2[nH]1 587194265 PFSPVBKTHJXEMJ-CYBMUJFWSA-N 352.866 3.734 0 1 FHAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587226250 XRXGGISYDLDLOT-SECBINFHSA-N 365.767 3.578 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(F)c(F)c1F)[C@@H](C2)C3=O 587422953 HIRXYGUIQYWUBW-XTZNXHDOSA-N 352.283 3.914 0 1 FHAF CCn1ccnc1[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432349 WMPDTPBVWISUOF-VGSWGCGISA-N 360.413 3.603 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cnccn4)cc1)[C@@H](C2)C3=O 587435778 KGNGXOSKRJRQAK-HRAATJIYSA-N 360.369 3.766 0 1 FHAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)c(F)cc12 587510811 WZNXEOONWNQMBL-FQEVSTJZSA-N 355.340 3.656 0 1 FHAF C[C@@]1(c2ncccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570357 WHIRWUMIIZCLJY-OXQOHEQNSA-N 351.333 3.803 0 1 FHAF COc1cc(C)nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587772825 PBNSKTLAYRKQME-HUTHGQBESA-N 365.246 3.924 0 1 FHAF NC(=O)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587782508 NMRVLUGPDRUXLD-UHFFFAOYSA-N 359.385 3.613 0 1 FHAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587831004 VBKTYKAJMJPSML-AYVTZFPOSA-N 368.202 3.591 0 1 FHAF COC(=O)CCC[C@@]1(c2ccc(OC)cc2)NCCc2cc(C)c(F)cc21 962370962 FSMUSGZCRWEFCC-QFIPXVFZSA-N 371.452 3.875 0 1 FHAF F[C@@H]1CN(Cc2c[nH]c3ccccc23)C[C@H]1OCc1nc2ccccc2[nH]1 2356301705 CLLYXYTWQJMFSF-OXQOHEQNSA-N 364.424 3.783 0 1 FHAF CC1(C)O[C@@]2([C@H]3C[C@@H](Cc4ccc(O)cc4)C[C@@H](CO)C3)CC[C@H]1[C@@H](N)C2 2356482340 KXYOIBBIVWUHEW-GDZIDAQUSA-N 373.537 3.635 0 1 FHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc2ccccc2n1 1394532 PNHPSZLBKCQLRM-CQGUWYRNSA-N 352.390 3.656 0 1 FHAF CC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 6724139 NDDCAUFLATXOBO-ROUUACIJSA-N 356.491 3.821 0 1 FHAF COc1cc(C[C@@H](C)[C@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)ccc1O 14646522 JFLQMRNVZXYTAK-HKZYLEAXSA-N 360.450 3.966 0 1 FHAF C[C@@H]1COc2c(ccc3[nH]c(=O)cc(C(F)(F)F)c23)N1CC(F)(F)F 28953705 QVNNULSQYVPEID-SSDOTTSWSA-N 366.261 3.697 0 1 FHAF CNC(=O)c1cc(C)n(Cc2cc(Cl)ccc2OCc2ccccc2)n1 29043207 MSRNPJGPRAZGRF-UHFFFAOYSA-N 369.852 3.832 0 1 FHAF O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2cccc(F)c2)no1 71405067 JQPZBNRTLJPARC-MRXNPFEDSA-N 355.344 3.992 0 1 FHAF CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(F)cc2)n1 82141091 QPLQTZHWIRRRLX-GJZGRUSLSA-N 370.472 3.857 0 1 FHAF COP(=O)(OC)[C@@H](OC(=O)COc1ccccc1F)c1ccco1 103190718 MMAVYRAHAAELSR-OAHLLOKOSA-N 358.258 3.525 0 1 FHAF Cc1ccnc(NC(=S)NCCNc2cccc(C(F)(F)F)c2)c1 103254372 XNCZEQPVYUMFDS-UHFFFAOYSA-N 354.401 3.807 0 1 FHAF Cc1ccc(CCNc2nc(N3CCC[C@H]3CO)nc3ccccc23)cc1 147103393 DXRNATXSRZMZNG-SFHVURJKSA-N 362.477 3.554 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1OC 169723938 OAFROFJQCKZNMF-FUHWJXTLSA-N 373.449 3.658 0 1 FHAF C[C@@H](CN1C(=O)CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(Cl)cc1 299847596 FNLOYSHYLCJHER-GZIXRCOHSA-N 374.868 3.813 0 1 FHAF C/C=C/Cc1c(CC(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990290 CFPIKCFQAQLQJH-ONEGZZNKSA-N 373.408 3.986 0 1 FHAF N[C@@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@H]1c1ccccc1F 587153822 AFFAGFJQIVYGDO-ZBEGNZNMSA-N 351.303 3.942 0 1 FHAF Nc1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)ccc1CC(=O)O 587249850 OFYYCQYJPJTLCD-UHFFFAOYSA-N 371.396 3.670 0 1 FHAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587256303 FDKDUFRWVHACTJ-MRXNPFEDSA-N 367.449 3.957 0 1 FHAF C[C@H](n1cncn1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337540 BCCBASAEVITFFX-UOXRKKOCSA-N 367.380 3.502 0 1 FHAF COC(=O)C1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587349002 IAXKXFBKXWXEOG-FXAWDEMLSA-N 370.376 3.602 0 1 FHAF O=C(O)[C@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350435 HTSCFOXRYNUKFZ-CYFODOTGSA-N 356.349 3.514 0 1 FHAF C[C@]1(C2(O)CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357160 SOULFYCQFSOEIA-QUCCMNQESA-N 356.393 3.954 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1cncnc1)O2 587378002 LTJIFBNELIPVIK-HXUWFJFHSA-N 365.820 3.930 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cccc(O)c21 587405192 UZCBVXTYQSUHIL-QHCPKHFHSA-N 371.392 3.736 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(C)=O)cc1C)[C@@H](C2)C3=O 587432354 KUVPSTURYGJTAW-LAUBAEHRSA-N 351.402 3.625 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4)c1C)[C@@H](C2)C3=O 587432915 STTVHCVAQQPYHZ-HTAPYJJXSA-N 360.413 3.986 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(OC)c(O)c1)[C@@H](C2)C3=O 587445253 XZFGCJRRKPQNAD-BTYIYWSLSA-N 354.402 3.548 0 1 FHAF COc1cc2c3c(c1)O[C@@](Cc1ccc4ccccc4c1)(C(=O)O)[C@@H](C2)C3=O 587447319 PUWPYOFGEYRKRL-FDDCHVKYSA-N 374.392 3.662 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccn4)s1)[C@@H](C2)C3=O 587450685 HHTLBVDVCVPNSQ-SGTLLEGYSA-N 350.399 3.702 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C)C(=O)O)cc1)CC2=O 587486699 STHQVJMCBLBUEL-BLVKFPJESA-N 370.401 3.903 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C)C(=O)O)cc1)CC2=O 587486706 STHQVJMCBLBUEL-HXPMCKFVSA-N 370.401 3.903 0 1 FHAF CS(=O)(=O)c1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531217 JSCINQPULNQYSI-GOSISDBHSA-N 356.443 3.675 0 1 FHAF Cn1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C(F)F 587554388 IBKRVZXPUUPIGA-KBXCAEBGSA-N 372.327 3.766 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)OCO2 587609121 MFAUSVLVKJHGSH-WIYYLYMNSA-N 362.337 3.824 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(O)cc1C2 587612830 WUVGXMAGIMXFCC-OFNKIYASSA-N 374.392 3.987 0 1 FHAF Cc1nn(-c2c(C)[nH]c3cccc(F)c23)cc1I 587634688 ATYBDNRZKVAORV-UHFFFAOYSA-N 355.154 3.714 0 1 FHAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1CCF 587718261 NKCLHYNRRBCGBA-JDNHERCYSA-N 370.241 3.686 0 1 FHAF CC(C)COC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587796928 ULVLKXOCNNVDBM-DIFFPNOSSA-N 372.278 3.927 0 1 FHAF COC(=O)[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587809994 SOSUFJJNYCPSAH-LTHLMHMASA-N 370.262 3.537 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](CC(=O)O)C2)N1 587829105 QORSVCZQGLAMGK-LSYCYVAJSA-N 356.235 3.593 0 1 FHAF CC1(C)[C@H]2CC[C@@]1(C)[C@@]1(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)C2=O 962727821 BCNYTCBBHMCWFV-RAKLQZGLSA-N 365.395 3.553 0 1 FHAF COc1ccc2nc(C)cc(OCC(=O)N(C)c3ccccc3OC)c2c1 1772647206 POSWGUSRQWJMMV-UHFFFAOYSA-N 366.417 3.602 0 1 FHAF COc1ccc([C@@H](CO)C(=O)c2cc(CC=C(C)C)c(OC)cc2O)cc1 1857556678 DGTNPHKTTOZXGB-LJQANCHMSA-N 370.445 3.877 0 1 FHAF CC1=C(C(=O)O)C[C@@H]2[C@@](C)(CC/C(=C/C(=O)O)CO)[C@H](C)CC[C@@]12C 1857569294 YSCTZMHOHFVELB-PZHZMNCSSA-N 350.455 3.633 0 1 FHAF CCC(=O)NCCOc1cccc2[nH]c(-c3n[nH]c4cc(C)ccc34)cc12 1911576191 XSEFMQWXYFPZGO-UHFFFAOYSA-N 362.433 3.925 0 1 FHAF COC(=O)C1=CCCC(C)=C[C@@H]2OC(=O)C(C)=C2C[C@@H](O)C(C)=CCC1 2356429308 QXZPKAWLIRITRB-MOPGFXCFSA-N 360.450 3.545 0 1 FHAF OCC[C@H]1CN(Cc2ccccc2-c2ccco2)CCN1C1CCCC1 22932595 YGJCQOJRENCGPY-FQEVSTJZSA-N 354.494 3.758 0 3 FHAF CCCNC(=O)[C@@]1(C)CCN1C(=O)c1ccccc1CCc1ccccc1 61905202 STQRGZYQTLWCRL-HSZRJFAPSA-N 364.489 3.603 0 3 FHAF C[C@]1(C(=O)NCCC(F)(F)F)Cc2c(-c3ccccc3)ccnc2O1 61926674 PDLYTEDCAHVSOW-QGZVFWFLSA-N 350.340 3.511 0 3 FHAF Cc1nc(CN2C(=O)C3(CCC3)ON=C2c2cccc(Cl)c2)cs1 61928830 XVBFYZWDJONZMN-UHFFFAOYSA-N 361.854 3.748 0 3 FHAF COCc1cc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)on1 1535248 ZHAQFLVTPPNILO-UHFFFAOYSA-N 357.410 3.808 0 1 FHAF O=C(c1ccc(Cl)cc1Cl)[C@](O)(Cn1ccnc1)c1ccccc1 26404981 MZYZSZQULDGUQM-SFHVURJKSA-N 361.228 3.961 0 1 FHAF O[C@@H](CCOc1cccc2[nH]ccc12)CNC12CC3CC(CC(C3)C1)C2 28823884 GSFWJKZNVNNKLE-XDHFQJGLSA-N 354.494 3.856 0 1 FHAF in-vitro O=C1CCC[C@@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@@H]12 29239274 KHSVWSHGEADZAR-MAZHCROVSA-N 364.218 3.537 0 1 FHAF O=C(O)c1cn(Cc2ccccc2C(F)(F)F)c2cccc(F)c2c1=O 45394222 PNRANRPXVCGIQX-UHFFFAOYSA-N 365.282 3.906 0 1 FHAF C[C@@H]1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3 59589395 BUCDUNQNZRSMJJ-GFCCVEGCSA-N 352.386 3.694 0 1 FHAF biogenic,in-vitro CCOC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103112 NMVAWIHZIHBCCU-SFHVURJKSA-N 359.857 3.599 0 1 FHAF Cc1cnc(N2CCSCC2)nc1NCc1cccc(C(F)(F)F)c1 82202824 ICIDLHKTKAHRRP-UHFFFAOYSA-N 368.428 3.969 0 1 FHAF CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 82214733 RNUUMMMDUWBROH-IYBDPMFKSA-N 352.482 3.718 0 1 FHAF CC[C@H]1COc2cccc3c(=O)c(C(=O)N[C@@H](C)CCC(C)C)cn1c23 95556005 PSXQVRBHHWMMEZ-GJZGRUSLSA-N 356.466 3.900 0 1 FHAF Cc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 96168964 UZJGSAYLEUUDIH-UHFFFAOYSA-N 353.466 3.727 0 1 FHAF Cc1cccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c1 96271903 MHFUMXCPFDMBDB-UHFFFAOYSA-N 357.749 3.705 0 1 FHAF O=S(=O)(NC1[C@@H]2CC[C@@H]1Cc1ccccc1C2)c1ccc(Cl)s1 101014139 DIGSRNGZVYWJEK-ZIAGYGMSSA-N 367.923 3.873 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(N)s3)cc2)C[C@@H]2CC[C@@H]1N2C 169346287 RHXJIBSDVXHTMJ-CYJAXWMASA-N 356.491 3.737 0 1 FHAF O=C(Cc1cccc(Oc2ccc3nccn3n2)c1)Nc1cccc(F)c1 299832964 XQMHYEIIRDRMGJ-UHFFFAOYSA-N 362.364 3.842 0 1 FHAF O=C(O)c1cccnc1SCc1nc2cccc(OC(F)(F)F)c2[nH]1 586966993 OMQOJBHLMQYOPV-UHFFFAOYSA-N 369.324 3.847 0 1 FHAF CCOC(=O)[C@@H](N=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988974 UZVYWMCHZGZORI-SFHVURJKSA-N 362.341 3.522 0 1 FHAF COc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1OC 587042351 SLCKMDZGHJFEHD-QAPCUYQASA-N 355.463 3.526 0 1 FHAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2ncccc2[nH]1 587091564 LGAYARABKUBHBT-UHFFFAOYSA-N 362.233 3.980 0 1 FHAF N[C@@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@@H]1c1ccccc1F 587153820 AFFAGFJQIVYGDO-BZNIZROVSA-N 351.303 3.942 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)[C@H](C)C1)O2 587396925 XFHIYWSJADOITM-OPAMFIHVSA-N 350.462 3.966 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(F)cccc1OC(F)F)[C@@H](C2)C3=O 587423817 VLKWCDXONCHBCU-BTDLBPIBSA-N 350.292 3.924 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cnn1CCF)CC2=O 587466889 PXXWIFFJVMHADC-OAHLLOKOSA-N 352.793 3.871 0 1 FHAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587577433 NOULCEMIAQZYSQ-WIYYLYMNSA-N 372.380 3.982 0 1 FHAF CC(C)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587582102 NYZHYIJVCQYYSM-GHTZIAJQSA-N 364.401 3.948 0 1 FHAF CN1[C@H]2CCC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586080 HFISLEQMTXDECI-DOXZYTNZSA-N 365.429 3.739 0 1 FHAF NC1CCN(Cc2c(-c3ccc(Cl)nc3)[nH]c3cc(F)ccc23)CC1 587634221 UZYIJOGKYNOHSP-UHFFFAOYSA-N 358.848 3.946 0 1 FHAF COCC(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798408 ZWILWTCAAZIPDA-APPDUMDISA-N 372.278 3.579 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](O)C2(C)C)N1 587823086 SGIWKONNHQPNEO-QXKQMHMISA-N 356.279 3.889 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC2(C(=O)O)CCC2)N1 587829051 VSSZHWYRVZPKPV-HWPZZCPQSA-N 370.262 3.983 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccnc(Br)c3[nH]2)cc1 587935697 IMJIDXGSCMDHSQ-YMTOWFKASA-N 362.227 3.566 0 1 FHAF O=C(O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O 587944265 BUDMITADOXECQT-UHFFFAOYSA-N 361.300 3.586 0 1 FHAF CCS(=O)(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587951694 YEVDTLVKNOZUHC-UHFFFAOYSA-N 374.506 3.842 0 1 FHAF Cc1ncn(-c2ccc3c(c2)CCc2cnn(Cc4ccccc4)c2N3)n1 653709033 MSKIXRPRGSXBKB-UHFFFAOYSA-N 356.433 3.663 0 1 FHAF COc1cncc(OC)c1[C@H]1c2ccsc2CCN1Cc1cccn1C 962375026 QMOCVYUSJZGPKM-HXUWFJFHSA-N 369.490 3.647 0 1 FHAF COc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)nn3c2)cc1OC 1857594480 ZCSGBUFSYYUDCX-UHFFFAOYSA-N 374.400 3.666 0 1 FHAF Cc1cc(C)n2nc(-c3ccc4c(c3)nc(-c3ccccc3)n4C)nc2n1 1857629831 PAJYRGIEPUAUJV-UHFFFAOYSA-N 354.417 3.962 0 1 FHAF CC[C@H]1Oc2c(Br)cc(Cl)cc2[C@@H]2CC(C)=NN2C1=O 1857634001 GMUBTUZIZDTPNF-NWDGAFQWSA-N 357.635 3.923 0 1 FHAF N=c1[nH]nc2c3ccccc3nc(Sc3ccc(Br)cc3)n12 1911571680 NVIWWDJMIJDHJX-UHFFFAOYSA-N 372.251 3.604 0 1 FHAF CN1C[C@@H]2CC[C@@H]3[C@]2(C1)[C@H](O)C[C@@H]1[C@@]2(C)CC[C@H](N(C)C)CC2=CC[C@@]31C 2356731750 XWPOTGXOZVRQJB-BHXDCAKSSA-N 372.597 3.782 0 1 FHAF COc1cccc(C=CC(=O)OC[C@H]2CCCN3CCCC[C@H]23)c1OC 2356733826 AMTPWEOSAFWDMM-QZTJIDSGSA-N 359.466 3.525 0 1 FHAF CC(C)c1ccccc1NC(=O)N1CCN(c2ccnc(Cl)n2)CC1 2382222954 IREQAQROLYGFJC-UHFFFAOYSA-N 359.861 3.608 0 1 FHAF Cc1ncoc1C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 15079516 MZDHGLVMJLBRNV-INIZCTEOSA-N 350.422 3.612 0 3 FHAF COc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)c3occc23)c(C)c1 61904970 RJMOUNAMHKBLHB-UHFFFAOYSA-N 364.445 3.804 0 3 FHAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccoc1 4153234 HLKCKCFCRDWDSJ-PKOBYXMFSA-N 356.422 3.686 0 1 FHAF Cc1cccc(N2CCN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H]2C)c1 4885624 ZQWDOFMODHFGPG-KRWDZBQOSA-N 362.477 3.541 0 3 FHAF CO[C@@H]1C[C@H](CC[C@]2(C)[C@H](C)CC[C@]3(CO)C(CO)=CCC[C@@H]32)CO1 2356427570 FECFLNMGJZPFNI-XQVPTLPVSA-N 352.515 3.519 0 1 FHAF Cc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)OCCO3)s1 72125838 QSBQMNLHRPGHAN-UHFFFAOYSA-N 353.403 3.537 0 1 FHAF CC(C)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F 84652578 NLUMGDHJPHUFOP-UHFFFAOYSA-N 370.833 3.556 0 1 FHAF CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 40828897 HTMFXDINJCEKDX-KDOFPFPSSA-N 372.900 3.735 0 1 FHAF O=C(c1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 144707011 CSWVWAQONWYQRM-KRWDZBQOSA-N 367.754 3.965 0 1 FHAF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2)c1-c1ccccc1 95602609 ATDCKTKMKBPZFF-UHFFFAOYSA-N 360.461 3.978 0 1 FHAF CC(C)=Cc1c(C)cccc1C(=O)N[C@]1(C(=O)O)Cc2ccc(F)cc2C1 146781644 MCAZANBPBDWLKT-JOCHJYFZSA-N 367.420 3.909 0 1 FHAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC[C@H]2Cc1ccccc1 145742459 VXWPHMKVTVOQKV-GFCCVEGCSA-N 355.488 3.930 0 1 FHAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@H]12)[C@](C)(O)C3 95590837 OSXQLEITCURIQP-UCIUDWLLSA-N 364.526 3.684 0 1 FHAF CC(C)CCOC(=O)N1N=C(c2ccccc2)NN=C1c1ccccc1 96938003 DTPPWJCRGKFKFZ-UHFFFAOYSA-N 350.422 3.798 0 1 FHAF CCc1ccc(CCNC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1 263590730 LRMHWVOYRSIOPA-PLACYPQZSA-N 356.510 3.781 0 3 FHAF N[C@@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@H]1c1ccc(F)cc1Cl 299806167 NPRMBEFOHOIZLG-GOEBONIOSA-N 374.872 3.929 0 1 FHAF Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)n1 473105297 RSFUIKVGQYHKFQ-CQSZACIVSA-N 366.396 3.526 0 1 FHAF COC(=O)/C=C\c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 299854984 BZMKPFUJLLMWKQ-UNZBNRTISA-N 373.880 3.780 0 1 FHAF COC(=O)C[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587811909 XVQVVKJBWHAPJM-QLJPJBMISA-N 358.251 3.537 0 1 FHAF C[C@H](c1nc2ccc(I)cc2[nH]1)n1cc(Cl)cn1 587079786 NPFNMWDGELXMEW-SSDOTTSWSA-N 372.597 3.627 0 1 FHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 587241827 KFAILZKWKSLYBA-UHFFFAOYSA-N 371.462 3.618 0 1 FHAF CCc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1Br 586976742 HFXXSCLBGKEQCZ-UHFFFAOYSA-N 372.222 3.886 0 1 FHAF Fc1ccc(OCc2nc3ccc(I)cc3[nH]2)cc1 587169535 YQAYLAZNVPQZHS-UHFFFAOYSA-N 368.149 3.886 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn2cc(F)ccc2n1 587870607 NDQDLHKIRIBROU-UHFFFAOYSA-N 368.343 3.563 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CCCC[C@H]32)N1 587790086 HAYBRMTXETUZLT-ZTFRIQLXSA-N 353.279 3.576 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(C(=O)OC)c1)CC2=O 587468323 UCKYMSDCBORQTM-SFHVURJKSA-N 358.365 3.977 0 1 FHAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(F)cnc3[nH]2)c1 587203342 LTPPQIYKSKZFER-UHFFFAOYSA-N 355.373 3.614 0 1 FHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3c(cc2[nH]1)OCCO3 587081285 ZDCJYLUQKUXYBE-CYBMUJFWSA-N 368.824 3.711 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)co2)N1 587830999 VANYFCVUDPKAPR-BCTVWOGZSA-N 368.202 3.677 0 1 FHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1N 587575458 BWMQFQFFELCNGN-GHTZIAJQSA-N 363.369 3.686 0 1 FHAF CC(C)COc1cccc(OCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 587565858 LMBSLIPUNRBDOC-UHFFFAOYSA-N 367.405 3.508 0 1 FHAF CCO/C=C/[C@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557208 QQHSESMTRWAYSO-FZXGSTKTSA-N 362.328 3.908 0 1 FHAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@]2(CCC23CCCC3)N1 962632510 IZIDNJLTYUPUBG-PXAZEXFGSA-N 355.356 3.734 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1ccc2c(c1)cc(O)n2C 963632044 DYUJOIRHSGETKW-WHEQGISXSA-N 366.461 3.699 0 1 FHAF O=c1cc(-c2ccc(O)cc2)oc2ccc(I)cc12 13675693 IFAJNNUYROKKPW-UHFFFAOYSA-N 364.138 3.770 0 1 FHAF in-vivo CN(C)CC[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 13684720 INHVINJBYGIEBE-IBGZPJMESA-N 359.901 3.829 0 1 FHAF CC[C@H]1CCCN1Cc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 169165410 OSJDALWDLCNCID-SFHVURJKSA-N 351.494 3.614 0 1 FHAF O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCCC3)nc2c1 202122874 ODUZRQZHHTZAHO-UHFFFAOYSA-N 373.416 3.862 0 1 FHAF CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC 775787 HELZSVKQMOLPAF-ZFWWWQNUSA-N 374.481 3.785 0 1 FHAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4cccnc34)nc21 5841842 HUDKKUOYZHDRQE-UHFFFAOYSA-N 370.416 3.768 0 1 FHAF c1ccc(CN2CC[C@@H](Nc3nncc(-c4cc5ccccc5o4)n3)C2)cc1 11815122 MHAJKLBXTOJIAU-GOSISDBHSA-N 371.444 3.971 0 1 FHAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC(C)(C)CO)nc21 13584306 AOMCEEAESLTWKD-UHFFFAOYSA-N 374.876 3.987 0 1 FHAF COc1cc(O)c2c(c1/C=C/C(C)(C)O)O[C@H](c1ccccc1)CC2=O 14684698 DTIQAJRSEBJNKG-FVNWOWOISA-N 354.402 3.891 0 1 FHAF CC(C)[C@H](C(=O)NC(=S)NC(=O)NC(C)(C)C)c1ccc(Cl)cc1 28563457 OTSANFJHXGECNR-ZDUSSCGKSA-N 369.918 3.578 0 1 FHAF COc1cc2c(cc1O)CCN(CC(=O)c1c[nH]c3ccccc13)[C@H]2C 34688080 LLVSVKHRBSSHMR-ZDUSSCGKSA-N 350.418 3.684 0 1 FHAF biogenic COc1ccc([C@H]2CC(=O)N(c3ccncc3)C2)cc1OC1CCCC1 34820583 WJSLBDXTOJGHQS-INIZCTEOSA-N 352.434 3.932 0 1 FHAF CCNC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccccc1 49115498 LZFIENNGPGPYQG-JOCHJYFZSA-N 366.461 3.537 0 1 FHAF COC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccccc1 49126165 BXUJIJYEAROQNO-OAQYLSRUSA-N 353.418 3.574 0 1 FHAF CC(C)CN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1 82214696 SJZQZHATAZZVJX-UHFFFAOYSA-N 352.482 3.862 0 1 FHAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@@]34CCC[C@@H]3[C@@H]3NCCC[C@@H]3C[C@@]14[C@@H](O)C2 85547431 CLTUMOCOASTNOP-QESBGPNGSA-N 359.554 3.627 0 1 FHAF biogenic,in-vitro CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCCCO2 95589134 DKJCFKYXIFNEOB-SFHVURJKSA-N 354.381 3.685 0 1 FHAF CC(C)C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H](CC(C)C)C(=O)N1 103267037 QWAYUNUQNGRNBW-HAGHYFMRSA-N 356.510 3.578 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2cncc3ccccc23)c(OCCF)c1 114028682 AXEILVVQRAEIPA-UHFFFAOYSA-N 360.410 3.622 0 1 FHAF COc1ccc(C(=O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 116013773 FJRHMZTXKNEKAR-UHFFFAOYSA-N 371.396 3.568 0 1 FHAF CC(C)C[C@@H]1CC(=O)[C@@H](C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1 169727332 CBBQHZCZSZXBCN-QUCCMNQESA-N 370.493 3.793 0 1 FHAF Cc1cccc(-c2ccc3c4[nH]ncc4c(=O)n(CC(F)(F)F)c3c2)n1 205055274 RMRCRAVJOPYWRB-UHFFFAOYSA-N 358.323 3.811 0 1 FHAF Cc1ccc([C@@H](CNC(=O)c2cc(C)ccc2Cl)N2CCOCC2)cc1 207588786 QNGAJUGNRPXKRQ-HXUWFJFHSA-N 372.896 3.760 0 1 FHAF CC(=O)O[C@H]1O[C@@H]2OC(=O)C=C3[C@@H]2[C@@H]1CC[C@H]3[C@]1(C)CCCC(C)(C)C1 238782314 JKXKYNJCCPSFNH-DCRZGGSRSA-N 362.466 3.964 0 1 FHAF Cc1ccc(O)c2c3c(nn12)CC[C@@](C)(NC(=O)c1ccccc1Cl)C3 299868024 ZGASTYSRJZSAOT-HXUWFJFHSA-N 369.852 3.679 0 1 FHAF Cc1csc([C@@](O)(Cc2nc3ccc(C)c(C)c3[nH]2)C(F)(F)F)n1 587092904 BPKZAMPJDOILAO-HNNXBMFYSA-N 355.385 3.937 0 1 FHAF Cc1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587187824 LIDSZDNGDFJUOG-UHFFFAOYSA-N 374.185 3.791 0 1 FHAF CC(=O)N[C@@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(C)cc1 587207813 WUZGVGZIQMLPDL-NSHDSACASA-N 365.330 3.848 0 1 FHAF COC(=O)CC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346510 CAMFYXXIBFQJNT-OSMCLUKGSA-N 370.376 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(-c4cccnc4)ncc31)O2 587396301 YQDRQXMGILPURZ-JOCHJYFZSA-N 372.428 3.626 0 1 FHAF COC(=O)CC[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587401283 VSHASYPYYOPZKP-NRFANRHFSA-N 353.418 3.700 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cccc1F 587559378 WPVWBYFNINBSTA-FXAWDEMLSA-N 352.317 3.940 0 1 FHAF CCc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587587107 FQCBVSBCSOTSKB-OXQOHEQNSA-N 350.374 3.689 0 1 FHAF O=C(CC(F)(F)F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656406 ZOCRVNDRWRWMSS-UHFFFAOYSA-N 368.261 3.934 0 1 FHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NCC1CCC1 587660408 DAFHXGYEBJJINY-UHFFFAOYSA-N 367.449 3.725 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(N)c2)N1 587713048 BADVTJZEVUAHBY-VPTHRUTESA-N 353.210 3.933 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(CC(F)F)n2)N1 587713421 CWBJWZCSLZHIEQ-GLEZIHRCSA-N 374.204 3.673 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(N)ccc32)N1 587743600 DTAHCWUFPFOOQV-YPMLDQLKSA-N 361.258 3.894 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccnn2C)N1 587761181 TUZDDVSICCSUOX-PELIBPFYSA-N 364.262 3.785 0 1 FHAF COc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587768506 DEWHESKCNMLEMR-QGHHPUGFSA-N 365.246 3.924 0 1 FHAF CCOc1ccc(OCC)c(-c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)c1 587779012 WQBIDMKAUQNODN-UHFFFAOYSA-N 374.462 3.821 0 1 FHAF O=C(O)C[C@@H]1COc2cc(OCc3ncc(-c4ccccc4)o3)ccc21 653729288 ACIPEPWXUJKTQO-CQSZACIVSA-N 351.358 3.871 0 1 FHAF CC(C)c1cc(Sc2ncccc2C(=O)O)nc(-c2ccccn2)n1 957868999 UJEMVMJRGOIFJY-UHFFFAOYSA-N 352.419 3.906 0 1 FHAF Nc1nc(Cl)c([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)s1 962701696 LMAVVELDAANPTO-ZANVPECISA-N 369.918 3.971 0 1 FHAF COc1cc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)cc(O)c1OC 963087578 DAUBQWZOFAGRFH-HRAATJIYSA-N 357.425 3.833 0 1 FHAF CC[C@@H]1CCC[C@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963137781 GJDVFOSHXSEZJK-AEDCBLDQSA-N 366.483 3.795 0 1 FHAF CC(C)Oc1cc(-c2cncc(-c3c[nH]nc3C3CC3)c2)ccc1C(N)=O 1857561782 LPLVTTVTTDMYHT-UHFFFAOYSA-N 362.433 3.902 0 1 FHAF O=c1cc(C(F)(F)F)nc2sc(-c3cccc(C(F)(F)F)c3)nn12 1857656598 FONGRVJAXDBMGV-UHFFFAOYSA-N 365.258 3.856 0 1 FHAF Cn1cc(CNC[C@@H]2Cn3cc(-c4ccccc4)nc3CO2)c2ccccc21 2356299272 DKWDHTZUYZRMFO-LJQANCHMSA-N 372.472 3.730 0 1 FHAF Cn1nnnc1Sc1ncnc2scc(-c3ccccc3Cl)c12 36380182 HHEHBOFRTLPQEV-UHFFFAOYSA-N 360.855 3.686 0 3 FHAF COc1ccc2c3n(nc2c1)CCN=C3c1cc(Cl)c(N)c(Cl)c1 36387373 YUBIBUIVAVMFFS-UHFFFAOYSA-N 361.232 3.785 0 3 FHAF O=S(=O)(Nc1cc(Br)cc2cccnc12)c1ccccc1 13815834 ZCJWXLQRWSYNNA-UHFFFAOYSA-N 363.236 3.798 0 1 FHAF COc1c(O)ccc2c1Oc1c(CC=C(C)C)c(O)cc(O)c1C(=O)O2 15252152 FBXWMGJKDCLNMW-UHFFFAOYSA-N 358.346 3.646 0 1 FHAF biogenic C[C@H](N)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 27318720 AZCLGVAMUSYUMJ-JTQLQIEISA-N 372.259 3.945 0 1 FHAF O=C(O)c1sccc1S(=O)(=O)n1c2ccccc2c2ccccc21 28380312 MSZGQUMLLPVAPJ-UHFFFAOYSA-N 357.412 3.791 0 1 FHAF CN1C(=O)[C@H](Cc2ccc(C(C)(C)C)cc2)NC(=O)c2cc(Cl)ccc21 40763415 ANTSZBROFRSTGC-KRWDZBQOSA-N 370.880 3.955 0 1 FHAF CCN(CC)c1ccccc1CNC(=O)c1cc(Cl)c(N)cc1OC 53151173 PREUGSJEFRFLPW-UHFFFAOYSA-N 361.873 3.707 0 1 FHAF CCc1ccc(Oc2ccc(NS(=O)(=O)C3CC3)cc2F)c(O)c1 95575115 BRFQLYBIHOTXOS-UHFFFAOYSA-N 351.399 3.790 0 1 FHAF CCCCC[C@@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 95575263 YWPZJIRZKHAKDC-GFCCVEGCSA-N 353.430 3.652 0 1 FHAF COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@@H]2O 100783699 WLRZIPVGEMNPES-LRYKZCBQSA-N 374.477 3.864 0 1 FHAF endogenous,in-man O=C(O)Cc1ccc(/C=C/CN2Cc3cc4ccccc4nc3C2=O)cc1 103182003 SINZJQVVUKDQDA-ONEGZZNKSA-N 358.397 3.531 0 1 FHAF CCN(C)C(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 299869962 FINYZPNAEUFDRR-DBGRRDFISA-N 369.505 3.912 0 1 FHAF in-vivo O=C(O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586988623 SZTJKSIVHLTPKJ-UHFFFAOYSA-N 368.348 3.912 0 1 FHAF O=C(O)c1cc(F)cc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005471 WWUGBXKTWISRNA-UHFFFAOYSA-N 370.565 3.878 0 1 FHAF Cc1nc(Br)sc1-c1nc2ccnc(Br)c2[nH]1 587011202 MDUYOEAFRQWUDL-UHFFFAOYSA-N 374.061 3.915 0 1 FHAF Cc1c(Br)cnc2nc(C(=O)Nc3ccccc3Cl)[nH]c12 587060760 UHXJPRBRBBUALG-UHFFFAOYSA-N 365.618 3.935 0 1 FHAF COC(=O)c1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587081159 WLBXMSDOWGUPQX-AWEZNQCLSA-N 368.824 3.727 0 1 FHAF COC(=O)C[C@@]1([C@H](C)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587400139 ONHPBMIQUSICRZ-SPLOXXLWSA-N 353.418 3.648 0 1 FHAF CCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439387 AFPPDEBATUCGCR-ZOCZFRKYSA-N 360.450 3.961 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)Oc3ccccc31)CC2=O 587485873 JTUIZPLLAUKNRB-OAQYLSRUSA-N 366.369 3.566 0 1 FHAF C[C@H](Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(N)=O 587512579 YVCDKIYJWNLZEG-RBZFPXEDSA-N 365.429 3.525 0 1 FHAF Cc1nc(O)c(C(=O)O)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587519184 WLLCPBYJUORHEM-NRFANRHFSA-N 367.401 3.553 0 1 FHAF CCn1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587754593 FFUQIHAVHUIHDB-BMLIUANNSA-N 366.278 3.911 0 1 FHAF CCc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587776365 WZEFYSNHOCFBFY-FVMDXXJSSA-N 350.235 3.564 0 1 FHAF COCc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587856655 YKOPKKOBEOSNDY-VXJOIVPMSA-N 371.275 3.815 0 1 FHAF Cn1cc(Br)cc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587872569 NYGHOLRFQYOXKR-UHFFFAOYSA-N 362.158 3.584 0 1 FHAF CO[C@H](C)COC1CCC(c2nc3cc(Br)ncc3[nH]2)CC1 587952761 WWFHYMYWVBUGOQ-VOMCLLRMSA-N 368.275 3.798 0 1 FHAF COC(=O)C1=C[C@]2(NCCc3ccc(F)c(C)c32)c2cc(Cl)ccc2O1 962378797 UNZVDHXYWNMLFI-FQEVSTJZSA-N 373.811 3.626 0 1 FHAF CC(C)c1nn(C)c2c1[C@](C)(c1ccccc1OC(F)(F)F)NCC2 962923379 YWQIPIWQAOISCQ-KRWDZBQOSA-N 353.388 3.851 0 1 FHAF CCOC(=O)c1c(C)oc2nc(N3CCN(c4ccccc4)CC3)ccc12 1857539892 WTBUKFUOLQXGQF-UHFFFAOYSA-N 365.433 3.640 0 1 FHAF Oc1ccc(-c2nc(-c3ccc(O[C@H]4CN5CCC4CC5)cc3)no2)cc1 1857599559 XHFSGPSCPWSQFE-IBGZPJMESA-N 363.417 3.582 0 1 FHAF CCCCCCS(=O)(=O)c1ccc(C(=O)CC[N@]2C[C@@H]2C)c(Cl)c1 1857610443 HXLHSQSKXGQBDL-VBKZILBWSA-N 371.930 3.971 0 1 FHAF O=C(Nc1ccc2c(c1)B(O)OC2)Nc1c(Cl)cc(Cl)cc1Cl 1857630876 ULAKHEUACVZLFM-UHFFFAOYSA-N 371.416 3.509 0 1 FHAF CC(=O)[C@H](O)C(=CCO)[C@@H]1C[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)O1 2356610396 ZRCMCFDZTMUNHB-BLQWBTBKSA-N 364.526 3.645 0 1 FHAF CCCc1cc(O)cc(OC)c1Oc1cc(O)cc2c1C(=O)O[C@@H](C)C2 2356723110 ZAIGHFQKDSUUHZ-NSHDSACASA-N 358.390 3.953 0 1 FHAF C[C@H](NC(=O)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356734941 LEDNHCHRZAMSCW-LBPRGKRZSA-N 368.364 3.599 0 1 FHAF COc1ccccc1C(=O)Nc1cc2cc(Br)ccc2oc1=O 716117 ACCQVVWXUQYHBS-UHFFFAOYSA-N 374.190 3.816 0 3 FHAF Cc1ccccc1-n1c(=O)sc2c(=O)n(-c3ccccc3)c(=S)[nH]c21 6491612 UKYLOJNRWOAGRZ-UHFFFAOYSA-N 367.455 3.569 0 1 FHAF CC(C)CN(CC(C)C)c1nnc(NC(=O)NCc2ccco2)s1 6792306 HNXSUFBUKCSHEE-UHFFFAOYSA-N 351.476 3.571 0 1 FHAF Nc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1 103249830 YIJWSWGNFRVEHD-UHFFFAOYSA-N 362.414 3.943 0 1 FHAF CC(C)=CCOc1ccc(/C=C/C(=O)O)cc1I 66258735 CRBUSCOKRNFOOC-GQCTYLIASA-N 358.175 3.734 0 1 FHAF CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1cccc(O)c1 2356693171 AENDLKDNJZSFFY-YUVXSKOASA-N 355.478 3.792 0 1 FHAF O=C1N=C(O)/C(=C(/C=C/c2c[nH]c3ccccc23)c2ccccc2)C(=O)N1 64553098 KUNYUBDVLYCZTB-ZHACJKMWSA-N 357.369 3.841 0 1 FHAF CC(=O)N1N=C(c2ccc3c(c2)OCCO3)O[C@H]1c1cccc2ccccc12 73197337 PBHVMGRJWGKYAX-QFIPXVFZSA-N 374.396 3.850 0 1 FHAF COc1cccc(CN(C)C(=O)c2cc3ccc(-c4cn[nH]c4)cc3[nH]2)c1 73195674 YJMNZRBIDTUOAU-UHFFFAOYSA-N 360.417 3.839 0 1 FHAF Cc1ccncc1-c1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 218391425 ZNLSZUKVWJMAPR-JOCHJYFZSA-N 374.484 3.855 0 1 FHAF CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1nc2ccccc2s1 84654107 QTWOGHUMQWLJDE-QGZVFWFLSA-N 352.459 3.786 0 1 FHAF COc1cc(-c2cnc(N)c(-c3ccc(O)cc3)c2)cc(OC)c1OC 45386989 BZRTYUHZFBKUNX-UHFFFAOYSA-N 352.390 3.729 0 1 FHAF CCN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 82159096 LGZJNQCEZXSCST-HUUCEWRRSA-N 370.472 3.857 0 1 FHAF Cc1nc2cnc(Nc3ccnc(/C=C/C(C)(C)O)n3)cc2n1C(C)C 222731964 NMZMPVANOBBUBA-SOFGYWHQSA-N 352.442 3.638 0 1 FHAF CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1 49048802 XXPIPRYYDWMLIM-GJZGRUSLSA-N 373.382 3.536 0 1 FHAF CCN1C(=O)c2ccccc2[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565894 QXKBILNFBVGWTN-INIZCTEOSA-N 363.244 3.827 0 1 FHAF Cc1ccc(F)c(C(=O)N[C@@H](Cc2ccccc2)C2CC(O)C2)c1Cl 230513231 RBXRWWKODFHPRQ-DQPZFDDXSA-N 361.844 3.900 0 1 FHAF COc1ccccc1-c1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O 96939898 CRVDWSGKJLMDHA-UHFFFAOYSA-N 374.440 3.673 0 1 FHAF COc1ccc2nc([C@@H]3CCN(Cc4ccc(N(C)C)cc4)C3)[nH]c2c1 51048298 RBJKQVQABYGPSL-MRXNPFEDSA-N 350.466 3.627 0 1 FHAF biogenic O=C1C[C@H](Cc2nc3ccc(O)cc3[nH]2)c2c(Br)cccc2O1 587004538 WFDIXWRWALEJDI-VIFPVBQESA-N 373.206 3.666 0 1 FHAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O 587810512 XSPMQFZRDIMEMX-XLFHBGCDSA-N 366.230 3.926 0 1 FHAF Oc1nc(O)c2cc3c(nc2n1)[C@H](c1ccccc1OCc1ccccc1)C3 587558856 DHNFTOSACFMANL-INIZCTEOSA-N 371.396 3.703 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(COc3ccc(C)cc3OC1)CC2=O 587493737 VOSYAWYMLNUBNP-NRFANRHFSA-N 354.402 3.829 0 1 FHAF C[C@@H](NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C1CC1 587660386 CDGNFPSYDKIROO-GFCCVEGCSA-N 367.449 3.724 0 1 FHAF Oc1ncnc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587152035 WULXMTFDTGBEHH-HNNXBMFYSA-N 354.316 3.505 0 1 FHAF CCOC(=O)c1ccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2c1 587246484 AVYAIXIMLARTKR-UHFFFAOYSA-N 366.421 3.786 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)cccc2F)N1 587717934 HADYNKPPZGOGBT-BCTVWOGZSA-N 353.210 3.933 0 1 FHAF CCOc1ccccc1[C@](N)(c1nc2cc(Cl)ncc2[nH]1)C(F)(F)F 587093818 YCAAFIQQZMWGBU-HNNXBMFYSA-N 370.762 3.775 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)cnn2C)N1 587700065 UKCKXECIZLLZFP-ANRSDYALSA-N 372.669 3.773 0 1 FHAF COc1ccc(-n2ncc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587389952 DUMCJRBARDPNPM-FQEVSTJZSA-N 363.417 3.786 0 1 FHAF COc1ncc(F)cc1-c1nc2c(Cl)ncc(Br)c2[nH]1 587175373 BZHSEONAPZKUSK-UHFFFAOYSA-N 357.570 3.584 0 1 FHAF CC(C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587579549 DPGHPBHFRJCDNW-XLIONFOSSA-N 350.374 3.873 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587036437 BFCIEUUCAZXTEI-HNNXBMFYSA-N 364.517 3.797 0 1 FHAF CCCC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590516 CKWRSEWLMRBVFG-RXVVDRJESA-N 370.401 3.846 0 1 FHAF COc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587851879 DAIXGOCJWKKOLO-WPPNPWJKSA-N 357.248 3.677 0 1 FHAF COc1ccccc1-c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)on1 587394972 MLNBLMGFJWQHLI-GOSISDBHSA-N 350.374 3.947 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1O)[C@@H](C2)C3=O 587417388 JZOMEVYXJSXEGI-SJCJKPOMSA-N 361.191 3.652 0 1 FHAF CC(C)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)ncc12 1772577056 NHVHTNAUFAEJBI-LLVKDONJSA-N 356.405 3.800 0 1 FHAF COc1cc(CO)ccc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772609873 ARNCDAPKPNQYIP-QGZVFWFLSA-N 369.442 3.918 0 1 FHAF Cc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1 1772618479 HMGJBAAAVBBSDG-UHFFFAOYSA-N 363.352 3.616 0 1 FHAF COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)C2CCC2)C3)c1 14970716 QWBJMXPGBFOFIV-UHFFFAOYSA-N 367.445 3.892 0 1 FHAF Cc1ccc(CN(C)c2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 202608629 CYVPVRPMDXDGFM-UHFFFAOYSA-N 359.477 3.688 0 1 FHAF CCC(=O)NC(C)(C)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 1857640643 SHWIQILHHRBUFQ-MSOLQXFVSA-N 351.450 3.585 0 1 FHAF CCCC(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 603143 LRSHRBXCWRJSCQ-UHFFFAOYSA-N 372.899 3.817 0 1 FHAF CC(=O)C[C@]1(OC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C(=O)Nc2ccccc21 5601549 AYRGLPVOHJUCOU-QLVMHMETSA-N 355.434 3.595 0 1 FHAF CC(C)(C)c1cc([C@@H]2SCC(=O)N2CCCN)cc(C(C)(C)C)c1O 13781666 DBMKWYMGBCJOLZ-SFHVURJKSA-N 364.555 3.910 0 1 FHAF CC1(C)CCC(C)(C)c2nc(C(=O)Nc3ccc(C(=O)O)cc3)cnc21 13804907 LOQCWYZQTILXOB-UHFFFAOYSA-N 353.422 3.776 0 1 FHAF O=C(O)CCC(=O)Nc1cccc(OCc2ccc3ccc(F)cc3n2)c1 28022779 FZYPHWZZKVKYCO-UHFFFAOYSA-N 368.364 3.756 0 1 FHAF O=C(Nc1ccc(C(F)(F)F)cc1)c1nccn1CCc1ccncc1 28822067 WYMKZFJEWIGFNK-UHFFFAOYSA-N 360.339 3.792 0 1 FHAF CO[C@H]1C=C(CC[C@@]2(C)[C@H](C)C[C@H]3OC(=O)C4=CCC[C@H]2[C@]43C)C(=O)O1 34095474 CLPKJMFRRPJXHG-LKUCGDGASA-N 360.450 3.537 0 1 FHAF CN1C(=O)c2c(-c3ccccc3)cc3c(c2C1=O)c1cc(O)ccc1n3C 36471244 CJXIFYRKBLDMRD-UHFFFAOYSA-N 356.381 3.930 0 1 FHAF CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccccc2)n1 82214685 PLDYMBWEENIJER-MAUKXSAKSA-N 352.482 3.908 0 1 FHAF N[C@H](COCc1ccccc1)COc1cncc(/C=C\c2ccncc2)c1 84596355 XFTPNRUQKBIHDT-IZRJCCQOSA-N 361.445 3.570 0 1 FHAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccsc2)n1 84671480 FTFZFWKRKVYVER-UHFFFAOYSA-N 370.503 3.534 0 1 FHAF Cc1ccc(-n2sc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 84711551 QZBXDJFRINFQCJ-UHFFFAOYSA-N 367.257 3.724 0 1 FHAF CN(C)CCOc1ccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1N 95578915 NOKOLFLNTAOTJJ-UHFFFAOYSA-N 373.460 3.815 0 1 FHAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccc(F)cc2)cc1 100092946 FWVRTCVZZXQAAN-GQOYEBEOSA-N 351.425 3.831 0 1 FHAF C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 101365310 ZQHXSPSYXBMABX-XKDCRVNJSA-N 364.489 3.945 0 1 FHAF CCN1[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)OC(C)(C)C1(C)C 117851809 PPBODGWZUWSNHB-QGZVFWFLSA-N 360.498 3.943 0 1 FHAF O=C(Nc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1)c1ccco1 136360820 PFWNTMIHRKSNLE-UHFFFAOYSA-N 370.372 3.860 0 1 FHAF Cc1nnc(CN(C)C)n1-c1ccc(Cl)cc1C(=O)c1ccccc1 138697717 YPEXMEWLJKONLA-UHFFFAOYSA-N 354.841 3.522 0 1 FHAF NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1 143134222 CWAZGGNPLIQKIE-JKSUJKDBSA-N 360.244 3.564 0 1 FHAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261107323 HOFXBWNODSOCNI-KESTWPANSA-N 370.537 3.886 0 1 FHAF N[C@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 586997058 MHAKXRCBTHCKPD-SNVBAGLBSA-N 369.625 3.755 0 1 FHAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(Br)cnc2[nH]1 587058571 GWBJVVOYHOMULQ-NSHDSACASA-N 351.635 3.616 0 1 FHAF C[C@@H]1CN(c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)S(=O)(=O)C1 587216467 BTQIGZKWDRZXEN-CQSZACIVSA-N 364.470 3.786 0 1 FHAF C=CC(=O)Nc1ccc(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)cc1 587244630 QKWSRWDLWGCYBD-UHFFFAOYSA-N 355.781 3.794 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC4(C[C@H]3C1)OCC(C)(C)CO4)O2 587406215 AFSGCHGCBDZHFX-HUUCEWRRSA-N 371.477 3.871 0 1 FHAF COc1ccc([C@H]2C[C@@]3(CCO2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587456185 SKJMRHUIHAJCEE-SFGWALBWSA-N 366.413 3.742 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCN(c3ccccc3OC)C1)CC2=O 587475116 JJGWWWPKJOVHDC-QFIPXVFZSA-N 367.445 3.968 0 1 FHAF O=C1C[C@H](c2ccc(N3CCOCC3)o2)Oc2c1ccc1c2CCCC1 587518722 ODBHIRQQJCXIFL-LJQANCHMSA-N 353.418 3.702 0 1 FHAF CCCn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587582084 NUSJBKUQTRENOJ-RXVVDRJESA-N 364.401 3.876 0 1 FHAF CC(=O)OC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592231 FZBDMXXKNXEURP-UTKZUKDTSA-N 370.401 3.702 0 1 FHAF Cc1n[nH]c(C)c1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593019 ZYXXRPFVOHSOMC-GHTZIAJQSA-N 364.401 3.695 0 1 FHAF COc1cccc(O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596136 UUHTYWUQOZOJTL-GHTZIAJQSA-N 364.353 3.809 0 1 FHAF Cc1cc(O)cc(O)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608907 NJJVQRDWKMJKEB-NQIIRXRSSA-N 364.353 3.815 0 1 FHAF CC[C@H](C)c1ccc2[nH]c(-c3cnn(CC)c3)c(C(=O)C(=O)OC)c2c1 587640887 CLMUZXQMTGDZPW-LBPRGKRZSA-N 353.422 3.921 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)c(O)c2)N1 587740600 BGZJZKUQWXWVBO-XYZCENFISA-N 365.246 3.674 0 1 FHAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587774782 XRMXFFTWCNRAJI-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF COC(=O)c1cc2[nH]c(COC/C=C\c3ccccc3)nc2cc1OC 587781131 PXTYVCGAQGNJKP-TWGQIWQCSA-N 352.390 3.588 0 1 FHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 587785361 NOMQLABJTBLSOH-NWDGAFQWSA-N 372.222 3.664 0 1 FHAF CCC[C@]1([C@@H](C)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587803361 ABBORQOGXNAAPO-VGTOOOLASA-N 372.278 3.927 0 1 FHAF COC(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810229 UFLHLNXIXDNYKB-QGHHPUGFSA-N 372.278 3.927 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ncccc1C 587862628 SINBHNQJYKUQTP-UHFFFAOYSA-N 361.323 3.969 0 1 FHAF CCOc1cc(C=O)c(OCC)n1[C@H](COc1cc(F)cc(F)c1)N=O 587946672 YPDMRVCLVDPLRW-OAHLLOKOSA-N 368.336 3.720 0 1 FHAF NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1cccc(C(F)(F)F)c1 653711420 JODGOVYRROPXJL-QGZVFWFLSA-N 359.351 3.935 0 1 FHAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1ccnc2cn[nH]c12 962696903 HDPHBPOHDXPGPG-BLVKFPJESA-N 354.454 3.550 0 1 FHAF Cc1ccc2oc(=O)c([C@@H]3NCCc4c3c(C(C)C)nn4C)c(Cl)c2c1 962910998 NWQKOPZCNDTVCH-LJQANCHMSA-N 371.868 3.847 0 1 FHAF O=C(c1cn2ncccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1 1857534529 WLSZZCSTWATJTP-UHFFFAOYSA-N 374.366 3.768 0 1 FHAF CNc1cc(-c2ccc3cnn(Cc4ccc(OC)cc4)c3c2)cn(C)c1=O 1857585363 SAQZGNVSTSRMLS-UHFFFAOYSA-N 374.444 3.501 0 1 FHAF Cc1ccc(C2=Nc3c(n[nH]c3C)N=C3NC(N4CCCCC4)=NC=C32)cc1 1857650120 MPSOTLJRIZYQCG-UHFFFAOYSA-N 373.464 3.520 0 1 FHAF CC(=O)OC[C@H](O)COC(=O)C=C(C)CCC=C(C)CCC=C(C)C 2356522452 HRJDVRFBWBTRAF-IBGZPJMESA-N 352.471 3.873 0 1 FHAF CCCCc1ccc(-c2cc3cn([C@@H]4CC[C@H](CO)O4)c(=O)nc3o2)cc1 3591638 RAUDRXVNAXMMLL-MJGOQNOKSA-N 368.433 3.669 0 1 FHAF CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccccc3)o2)c1 13611288 ODGMIRDHEZREOW-UHFFFAOYSA-N 358.419 3.887 0 1 FHAF CCO[C@@H]1C[C@@H](O)C2=C3c4cccc(O)c4C(=O)C[C@H]3c3ccc(O)c1c32 14724620 DSVFBOXMAJTYHV-JCURWCKSSA-N 364.397 3.534 0 1 FHAF biogenic CC(=O)OCC1=C2C(=C[C@@H]3[C@]4(CC[C@@H]5C(C)(C)CCC[C@@]35C)O[C@H]24)OC1=O 15152655 CABXXWMSQRXEQX-CVPGBNADSA-N 372.461 3.681 0 1 FHAF biogenic,in-vitro CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1C(=O)c1ccccc1 27877877 LFLHZRBADWTKON-LJQANCHMSA-N 364.445 3.796 0 1 FHAF CCN1CCOc2ccc([C@H](C)NC(=O)/C=C/c3ccccc3F)cc21 28092975 WPIUCHABIRMTJY-GDXASINISA-N 354.425 3.935 0 1 FHAF COc1ccc([C@@H]2[C@H]3CCCCC3=NN2S(=O)(=O)c2ccccc2)cc1 42920335 HMWWVCYAMUKJNZ-AZUAARDMSA-N 370.474 3.987 0 1 FHAF Cc1c([C@H](C)NCc2cccc3nonc23)cnn1-c1cccc(F)c1 55053035 LNAPCNZAGPAEFV-LBPRGKRZSA-N 351.385 3.707 0 1 FHAF C[C@H]1CN(CC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 101365337 OOXHSCAYTZKPOX-QXATTWAWSA-N 350.462 3.555 0 1 FHAF CCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)ccc2c1 103251500 ISFDEYBYSUBPMR-UHFFFAOYSA-N 352.438 3.538 0 1 FHAF Cc1ccc(Oc2ccc(CNC(=O)c3c4c(nn3C)CCC4)cc2)cc1 103275540 QFMXJFRBBBFMII-UHFFFAOYSA-N 361.445 3.940 0 1 FHAF CC1=Nc2nnnn2[C@H](c2ccccc2F)/C1=C(\O)OC1CCCCC1 104060100 ZXVWQVAZDYSEKX-IBOXJLQUSA-N 357.389 3.627 0 1 FHAF COc1cnc2ccc(Cc3nnc4ccc(-c5ccccc5)nn34)cc2c1 139884027 FDLIPQYYLMMQQK-UHFFFAOYSA-N 367.412 3.939 0 1 FHAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(C)c4[nH]3)cc12 587039429 XQXSJXHTLABQAU-NSHDSACASA-N 353.451 3.619 0 1 FHAF c1ccc(C[C@H]2N[C@H](c3nc4cc5c(cc4[nH]3)OCCCO5)CS2)cc1 587041232 LTGSFAUTMRMIBK-LPHOPBHVSA-N 367.474 3.671 0 1 FHAF O=C(CCCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Cl)cn1 587081907 XZMBEMIKXWDGSI-UHFFFAOYSA-N 357.797 3.588 0 1 FHAF Cc1cc(F)c2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 587148248 HAJNZPVJAKLFRB-GFCCVEGCSA-N 359.351 3.805 0 1 FHAF COC(=O)c1ccnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 587195673 GUPILHPHFRWEPV-UHFFFAOYSA-N 372.428 3.951 0 1 FHAF CCOC(=O)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350227 RNRKIKNSFBENKD-GHTZIAJQSA-N 372.392 3.848 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)(c1ccc(Cl)c(Cl)c1)O2 587377933 ZZEPSRXZUPJLFS-QGZVFWFLSA-N 352.217 3.737 0 1 FHAF COCCOc1cccc(F)c1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424507 OTYYDCBSMMEXPB-SPLOXXLWSA-N 372.392 3.522 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4F)nc1)[C@@H](C2)C3=O 587428158 XKLPSZRKQNSCNR-YWZLYKJASA-N 362.360 3.780 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC[C@@H]4CCCO4)cc1)[C@@H](C2)C3=O 587452580 FIJIVKMPFBZQIS-ZJBJCVSYSA-N 366.413 3.742 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(=O)OCC)n1)CC2=O 587478930 AJSZGFCVTFILKU-OAQYLSRUSA-N 369.417 3.797 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)([C@H]1CCCO1)CC2=O 587491997 VQOSZIGDVWAFRH-CTNGQTDRSA-N 353.418 3.779 0 1 FHAF O=C1C[C@H](c2cnn(-c3ccc(F)cc3)n2)Oc2c1ccc1c2CCCC1 587510785 WPSPWGPJORKSTI-HXUWFJFHSA-N 363.392 3.992 0 1 FHAF CCOC(=O)C[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515188 LPOVFHCXCQNJJS-JOCHJYFZSA-N 365.429 3.774 0 1 FHAF C[C@]1(c2cc(O)cc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612377 UOYSSEMCVDGJRS-WIYYLYMNSA-N 364.353 3.680 0 1 FHAF Cc1cc(-n2ncc3ccc(Cl)cc3c2=O)nc(-c2ccccc2O)n1 587653508 XPYJASNLFDEAPZ-UHFFFAOYSA-N 364.792 3.510 0 1 FHAF Cc1nn(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587699918 SYVQOGQWAKEPFS-NXSYQRQQSA-N 372.669 3.907 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2N)N1 587751828 ZBPGKUBVVUDTIW-XLFHBGCDSA-N 365.246 3.674 0 1 FHAF COc1cccnc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587768449 CWKUFGCWRFZGMA-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF CN(C)CCOc1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587950863 OOIGBMZVDGNXGJ-UHFFFAOYSA-N 369.509 3.989 0 1 FHAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(Br)c(O)c4[nH]1)(C3)C2 587968624 FPNNILUDERGISZ-JIIRDLKHSA-N 361.239 3.678 0 1 FHAF Cc1c(F)ccc2c1[C@@](c1ccncc1)(c1ccc(C(=O)O)cc1)NCC2 962094693 UQZBSSNGGBWIPW-QFIPXVFZSA-N 362.404 3.665 0 1 FHAF COc1cc2c(cc1OC)[C@](C)(c1ccc3cn(C)nc3c1)N(C)[C@H](C)C2 962572639 PYDHVYRSJNECTR-PEBXRYMYSA-N 365.477 3.730 0 1 FHAF CNC(=O)c1ccc([C@@H]2c3ccsc3CCN2Cc2ccco2)cc1 962701716 DOILQCQCRASHFV-LJQANCHMSA-N 352.459 3.848 0 1 FHAF O=C(O)CCOc1ccccc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963102945 SWIVMTRMDPMZOA-KKSFZXQISA-N 355.409 3.789 0 1 FHAF Cc1cc(C)cc([C@]2(c3cccnc3)NCCc3c(C(=O)O)cccc32)c1 963125023 RQZDCHGCLXSFAV-QHCPKHFHSA-N 358.441 3.834 0 1 FHAF CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl 1857570955 GUDUATCKYPMELP-UHFFFAOYSA-N 359.234 3.617 0 1 FHAF Cc1cc2ccc(Nc3nccc(=N)[nH]3)cc2n1-c1cccnc1Cl 1857611776 FALLISXZOTWUGF-UHFFFAOYSA-N 350.813 3.933 0 1 FHAF CC1CCC(N(C)C(=O)c2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)CC1 1857762874 YSACDDKYMFNXLF-CKDBGZEDSA-N 369.509 3.671 0 1 FHAF COC(=O)C[C@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)[C@H](O)C[C@@]12C 2356781366 BAZOEJHKVVCKQS-GIZYRINBSA-N 350.499 3.914 0 1 FHAF Clc1cnc(N[C@@H]2CN3CCC2CC3)nc1-c1c[nH]c2ccccc12 2382217195 PMUBYPSZTKVHAW-QGZVFWFLSA-N 353.857 3.784 0 1 FHAF CC(C)(C)CCN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1 66123704 IQDZSRFIHJZYLF-AWEZNQCLSA-N 370.896 3.875 0 3 FHAF CCc1cc(CNC(=O)c2ccc(OC)c(OCc3ccccc3)c2)on1 169304449 LYIGXIPSVPHGFU-UHFFFAOYSA-N 366.417 3.755 0 3 FHAF CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1ccc(Br)cc1 103220608 YXLKAXAIYVXKTK-MRXNPFEDSA-N 363.186 3.827 0 1 FHAF CCCSc1nc(C)ccc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101550178 UTOVQHGEYUJTPN-ACCPSQPCSA-N 360.523 3.562 0 1 FHAF COc1cc(C(=O)c2sc3cccc(OC)c3c2N)cc(OC)c1OC 28644294 RTLVPJQZYBYKNV-UHFFFAOYSA-N 373.430 3.749 0 1 FHAF CSCOc1cc(Cl)cc(Cl)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 29413849 UWMWVRDALNVQGU-WUNPDAOYSA-N 363.262 3.772 0 1 FHAF CCOC(=O)Cc1c(-c2ccccc2)nc2ccc(Br)cn12 26838471 YIRNYMAHSMGVIR-UHFFFAOYSA-N 359.223 3.869 0 1 FHAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](CC(C)(C)C)C[C@H]4[C@H](C2)N(C)CC[C@@]314 29236065 IKEFFWJSZNGXRT-XYZKVVFQSA-N 369.505 3.596 0 1 FHAF CC(=O)O[C@H]1C(=O)[C@](C)(O)c2c(O)cc(C)cc2[C@H]2[C@@H](C(C)C)CC[C@@]12C 211316821 KGGPBWHTMLVPDY-FKMWYYCZSA-N 374.477 3.578 0 1 FHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 14774119 PRKBLPCDOOARTE-BYVOGVQKSA-N 362.466 3.871 0 1 FHAF biogenic CCCCCCc1ccc(OCCCCCCOC(CO)CO)cc1O 73166438 FJDOXMYAELZIBA-UHFFFAOYSA-N 368.514 3.824 0 1 FHAF CCNS(=O)(=O)c1cccc(-c2ccc(CCN3CCC[C@H]3C)cc2)c1 43021132 YQBFPGRFUPNGEQ-QGZVFWFLSA-N 372.534 3.679 0 1 FHAF Cc1nn(-c2ccccc2)nc1CN1CCC2(CC1)OCc1ccccc12 40861000 VLDLYRMTWOLNSF-UHFFFAOYSA-N 360.461 3.597 0 1 FHAF CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1 82141934 VCPWFAXQOTWFRD-IYBDPMFKSA-N 370.497 3.947 0 1 FHAF CC(=O)Oc1ccc(-c2csc3c2-n2cccc2C3=O)cc1OC(C)=O 87723061 LGDBNAJFZXJBLI-UHFFFAOYSA-N 367.382 3.601 0 1 FHAF CN1C(=N)N[C@](c2cccc(-c3cccc(Cl)c3)c2)(C2CCC2)C1=O 84597096 VZGLDYSDFDRZHL-FQEVSTJZSA-N 353.853 3.999 0 1 FHAF O=c1[nH]c2ncc(-c3ccc(-c4ccn[nH]4)cc3)nc2n1CC1CCCCC1 82153908 NLUSWVMGTCCSDX-UHFFFAOYSA-N 374.448 3.757 0 1 FHAF Cc1ccc(-c2n[nH]cc2/C=C2\SC(=N)N(c3nccs3)C2=O)cc1 40916673 RKLHOVWLMWMFLE-WRBCWBSPSA-N 367.459 3.897 0 1 FHAF COc1ccc([C@H]2CC(c3sc(-c4cccnc4)nc3C)=NN2)cc1 95586405 GGSOUAAHJSXQTI-MRXNPFEDSA-N 350.447 3.961 0 1 FHAF CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)nn(C)c21 95593349 KEWRWAAUFINIRH-UHFFFAOYSA-N 372.513 3.686 0 1 FHAF COSCCCCCCNC(=O)NCCCCCCSOC 238773107 WFJFUANKEPFGFN-UHFFFAOYSA-N 352.566 3.996 0 1 FHAF COc1ccccc1N1C(=O)CS[C@@H]1c1ccc2cccc(O)c2n1 2382220359 PNQHKTCQJQECIK-LJQANCHMSA-N 352.415 3.728 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(CC(F)F)c2)N1 587722418 YOCOMJDQPOWGDL-ANRSDYALSA-N 374.204 3.673 0 1 FHAF Cc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587341837 XWUIRYSOBOFBMK-TZIWHRDSSA-N 364.376 3.904 0 1 FHAF O=C(NCCc1nc2c(Cl)c(Cl)cnc2[nH]1)OCc1ccccc1 587228213 JBYFGBZHTVGZTB-UHFFFAOYSA-N 365.220 3.734 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c3oc(=N)[nH]c3c1)CC2=O 587468131 BGVJGLZWWFQQCZ-MRXNPFEDSA-N 368.389 3.614 0 1 FHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)C1CC1 587401008 UWAMOJKQYGHHFI-GOSISDBHSA-N 367.401 3.608 0 1 FHAF Fc1ccc2nc(Cc3csc4nccn34)[nH]c2c1Br 587039943 HCEJEZAYVQSOEG-UHFFFAOYSA-N 351.204 3.765 0 1 FHAF Cc1nn(C)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581426 LFAXACPANDGMHY-RXVVDRJESA-N 364.401 3.620 0 1 FHAF COc1cccnc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587768448 CWKUFGCWRFZGMA-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccnc(Cl)c4[nH]3)cc2N1 587127261 UZLRDWZDCNJBQI-HZGVNTEJSA-N 356.739 3.782 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1[nH]c2nccc-2cc1Cl 963044131 CEYVLZXRBHGJNS-IBGZPJMESA-N 364.836 3.960 0 1 FHAF CCCOc1ncccc1[C@@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962639241 VPXFPOVPBXDBQN-IFXJQAMLSA-N 356.466 3.853 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCCCc2ccc(N)cc21 963634621 KYWRPWCBXNQOOF-RCDICMHDSA-N 352.478 3.790 0 1 FHAF CCN(C)c1ccc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cn1 962569072 MCNWKUUIIKHJIL-VLIAUNLRSA-N 355.482 3.521 0 1 FHAF COc1cc2c(cc1OC)[C@H]([C@@H]1C[C@@H]1C)N(C(=O)c1ccccc1N)CC2 963157386 LELMCEXFWOONMH-QSZISKGPSA-N 366.461 3.682 0 1 FHAF O[C@@H](CCc1ccccc1)CN1CCC2(CCc3cc(F)ccc3O2)CC1 13472083 JPTJNKGXZCFAFQ-NRFANRHFSA-N 369.480 3.979 0 1 FHAF c1ccc(-c2nnc3c4ccccc4c(OCc4cccnc4)nn23)cc1 13559987 QJBCFALTTSBEEO-UHFFFAOYSA-N 353.385 3.919 0 1 FHAF COc1cccc(-c2ccc(C(=O)NCCc3ccccc3F)nc2)c1 1857553649 YEEIHPROGDSCMP-UHFFFAOYSA-N 350.393 3.869 0 1 FHAF O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(c2cnccn2)C1 6747266 WMCYEKJHMZUEJZ-FQEVSTJZSA-N 372.472 3.599 0 1 FHAF CC(C)=CC[C@@H](O)[C@@H](C)CCC/C(C)=C\CC[C@@H](C)C[C@H](O)[C@H](N)CO 13370779 ASNURABVVXFZSH-FTGDDVOLSA-N 369.590 3.943 0 1 FHAF Cc1ccc(S(=O)(=O)N2[C@H]3C=C[C@H](C3)[C@@H]2C(Cl)(Cl)Cl)cc1 13371196 KOPDSVZGKUSECV-NTZNESFSSA-N 366.697 3.683 0 1 FHAF CCOC(=O)CN(C)CCCCOc1ccc(Cc2ccccc2)cc1 13475294 YRBQGSRURFLIFS-UHFFFAOYSA-N 355.478 3.931 0 1 FHAF COc1ccc(-c2ccc3c(c2)Cc2sc(N)nc2-3)c(OC)c1OC 13671332 UDECTSPTKRGECA-UHFFFAOYSA-N 354.431 3.989 0 1 FHAF COc1cccc([C@H]2[C@@H](NCc3ccccc3OC)C3CCN2CC3)c1 22943427 BTWXSVJGGMEXOC-VXKWHMMOSA-N 352.478 3.629 0 1 FHAF CS(=O)(=O)Nc1cc2c(cc1Sc1cccc(F)c1F)C(=O)CC2 28118246 FBWPNNUXDCEDTG-UHFFFAOYSA-N 369.414 3.616 0 1 FHAF O=C(O)[C@H]1CCCN(CCO[C@H](c2ccc(Cl)cc2)c2ccco2)C1 34065547 XKMHAVSWNHJTSH-MAUKXSAKSA-N 363.841 3.836 0 1 FHAF COc1cc(/C=C\Cc2cc(OC)c3c(cnn3C)c2)cc(OC)c1OC 40762641 OCIRZCYIUVXYPQ-VURMDHGXSA-N 368.433 3.864 0 1 FHAF CC(=O)OCc1ccc2oc(=O)c(C(=O)Nc3cccc(Cl)c3)cc2c1 40847595 BIMILRPNKPADBS-UHFFFAOYSA-N 371.776 3.762 0 1 FHAF O=S(=O)(c1ccc(F)cc1)N1c2ccccc2-c2n[nH]cc2[C@H]1C1CC1 45314800 MAZVAJBBINZFPI-LJQANCHMSA-N 369.421 3.876 0 1 FHAF C1=NN(c2ccccc2)[C@@H]2[C@@H]3N(C=NN3c3ccccc3)c3ccccc3N12 73223564 BGUJUBCGEUFAEJ-FGZHOGPDSA-N 366.428 3.892 0 1 FHAF Cc1nc(C)c(C(=O)Cc2cccc([C@]3(C)CCSC(N)=N3)c2)s1 96173832 IGQRCUPRURAERS-SFHVURJKSA-N 359.520 3.852 0 1 FHAF O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc(N2CCOCC2)c1 101082606 QEXYPSGIECCYPS-UHFFFAOYSA-N 363.413 3.722 0 1 FHAF Cc1c(COc2ccccc2)nc2n1C(=O)N(c1ccc(F)cc1)CC2 143321046 RNQNCVMSXYZTNJ-UHFFFAOYSA-N 351.381 3.940 0 1 FHAF C[C@H](CSc1ccccc1)NC[C@H](O)COc1ccccc1Cl 169327300 YNENMVYYNGMVIH-CABCVRRESA-N 351.899 3.850 0 1 FHAF C/C=C(/CN(C)C)[C@@H]1CC(=O)c2[nH]c3ccccc3c2C=C[C@H]1C(=O)OC 238753432 GAEVJZYUDKVBCT-HEKNHBHRSA-N 366.461 3.681 0 1 FHAF CCOC(=O)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 586981519 DNNBLZVVZKJEJA-UHFFFAOYSA-N 373.206 3.982 0 1 FHAF Cc1csc([C@](O)(Cc2nc3cc(C)c(F)cc3[nH]2)C(F)(F)F)n1 587094755 UYFKWIZIGSBPFY-CQSZACIVSA-N 359.348 3.768 0 1 FHAF COc1ccc(Cc2nc3cc(Br)c(C)nc3[nH]2)c(F)c1 587148489 INBTYHSLCMZQIP-UHFFFAOYSA-N 350.191 3.767 0 1 FHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238864 GXHALYNOFIYTBR-HKMRUAMVSA-N 372.469 3.513 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1F 587566946 CLXPBIBSDQFGIN-FXAWDEMLSA-N 352.317 3.940 0 1 FHAF Cn1ncc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587583978 XTDSOKCUUYFVEH-DENIHFKCSA-N 372.380 3.982 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(O)cccc12 587608334 LDEFIEYNOZXUKX-SIKLNZKXSA-N 360.365 3.901 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cccnc32)N1 587779195 QUMOEIDWZGCFDS-BTDLBPIBSA-N 363.230 3.544 0 1 FHAF C[C@](O)(CSc1nc2sccc2c(=O)n1C1CC1)c1ccccc1 653740710 OLNJHIYRMPFNMP-SFHVURJKSA-N 358.488 3.793 0 1 FHAF O=S(=O)(Nc1ccnc(Cl)c1O)c1cc(Cl)cc(Cl)c1 1260366884 QRKAVNWNTFRNCH-UHFFFAOYSA-N 353.614 3.548 0 1 FHAF CC(C)(CCc1ccccc1)NC[C@H](O)c1ccc(O)c2nc(O)ccc12 1857546994 XBCNZHWPHYJZGM-IBGZPJMESA-N 366.461 3.680 0 1 FHAF N=c1[nH]c2c(O)cc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2s1 1857593100 SDKMHTLJRDIZIY-UHFFFAOYSA-N 368.245 3.651 0 1 FHAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C/c2csc3ccccc23)C(=O)O1 1857630797 XELZELDAOXMYOD-LOJRPPCJSA-N 374.458 3.552 0 1 FHAF CC(=O)O[C@@H]1C(=O)[C@](C)(O)c2c(O)cc(C)cc2[C@@H]2[C@@H](C(C)C)CC[C@@]12C 2356391976 KGGPBWHTMLVPDY-XFJUBTJUSA-N 374.477 3.578 0 1 FHAF COc1cc([C@H](O)[C@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)cc(O)c1OC 2356395983 ZNOVVYJXQWKCSW-MRRFBWAASA-N 374.433 3.686 0 1 FHAF COc1ccc2c(c1CC=C(C)C)O[C@]1(C)c3ccc(O)cc3OC[C@]21O 2356649124 AFVOSKFTETWUMH-YADHBBJMSA-N 368.429 3.797 0 1 FHAF CCCNC(=O)CCn1cc(-c2ccc(OC)cc2)nc1-c1ccncc1 15934838 ZNKOGYYBVQADNR-UHFFFAOYSA-N 364.449 3.537 0 3 FHAF CC(=O)Oc1ccc2c(c1OC(C)=O)CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 1663418 XNYCWDLNVLSGAW-CECAUBDESA-N 368.429 3.872 0 1 FHAF CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccs2)[C@@H]2C(=O)CCCC2=N1 6530758 XWRDGGDAECFWSJ-RBUKOAKNSA-N 356.491 3.942 0 1 FHAF CCO/C(O)=C1/C(C)=Nc2nc(SCC)nc(O)c2[C@@H]1c1cccnc1 104056787 VMKKIIQOAUJNEW-KAECEXQPSA-N 372.450 3.733 0 1 FHAF CCCCc1nc2[nH]ncc2c2nc(-c3ccc(Br)cc3)nn12 27204744 ZSWRTMDVMLUGQO-UHFFFAOYSA-N 371.242 3.773 0 1 FHAF COc1ccc(-c2noc(C(=O)N[C@@H](C)c3ccccc3)c2[C@H](C)O)cc1 2356293742 KAFBVLXWVJXESH-KBPBESRZSA-N 366.417 3.895 0 1 FHAF CCc1nc2c(OCCOC)cccn2c1N(C)C(=O)c1ccc(C)cc1 61897461 GNMQBTMZTHZWBR-UHFFFAOYSA-N 367.449 3.507 0 3 FHAF CN(C)CC(CN(C)C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 26154160 HAGLFZDOVHALAU-UHFFFAOYSA-N 359.473 3.653 0 1 FHAF CC(C)NC(=O)[C@@]1(C)CCN1C(=O)c1ccccc1Oc1ccccc1 61926961 BPEVNQMKWSFYMB-OAQYLSRUSA-N 352.434 3.608 0 3 FHAF CN1CCN(C[C@H](Nc2nc3cc(Cl)ccc3o2)c2ccccc2)CC1 28007066 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CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587926533 ICNHBDDXWCLXQV-FZKQIMNGSA-N 354.410 3.846 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(SC)ccc21 587493003 POZWHKNYXPWKGJ-FQEVSTJZSA-N 369.442 3.879 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(O)cccc12 587608331 LDEFIEYNOZXUKX-DENIHFKCSA-N 360.365 3.901 0 1 FHAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4cccc(N)c41)[C@@H](C2)C3=O 587434070 QOQMSKOVWAVRDO-GAJHUEQPSA-N 355.393 3.949 0 1 FHAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587585829 GSDGYWVQYAGBPN-GHTZIAJQSA-N 363.369 3.673 0 1 FHAF Cc1oc2c(c1-c1nc3cc(-n4cccn4)c(F)cc3[nH]1)C(=O)CCC2 586904114 QZUXXMYXVWMYHS-UHFFFAOYSA-N 350.353 3.975 0 1 FHAF Clc1cnn(COc2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)c1 587082853 YAHBSLWTMHFWBP-UHFFFAOYSA-N 364.796 3.993 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cnn2C)N1 587697251 NCDVFLRTLVSXNP-WPPNPWJKSA-N 358.642 3.599 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(C(F)F)n2)N1 587716386 IYNVNSIVUUHTBW-CPFSXVBKSA-N 360.177 3.803 0 1 FHAF Cc1ccccc1C[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962956081 BHWAWTDRNXQTDF-HUUCEWRRSA-N 351.780 3.809 0 1 FHAF c1ccc(CCCN[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772599274 XAKWMIOCECFCIZ-IYARVYRRSA-N 374.492 3.854 0 1 FHAF COc1ccccc1C1CCC(N2CCN(c3ccccn3)CC2)CC1 12356161 FCPLDXWPGMEXLL-UHFFFAOYSA-N 351.494 3.939 0 1 FHAF CC(C)NC[C@@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 13731048 PYNHMXVUQLOMJY-OAHLLOKOSA-N 357.479 3.543 0 1 FHAF COC(=O)/C1=C/C=C(/C(C)C)CCC2=CCC[C@](C)(OC2=O)C(=O)CC1 14445696 SSRWHVBVQPAITB-WYLCAHHTSA-N 360.450 3.833 0 1 FHAF Cc1ncsc1C(=O)N=c1[nH]n(Cc2ccc(F)cc2)c2ccccc12 1857617599 MJXFOHDBHKCMQO-UHFFFAOYSA-N 366.421 3.663 0 1 FHAF COc1c([C@@H](CO)C(C)C)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 1857763183 IYUVXRIYTHLTLH-HNNXBMFYSA-N 372.417 3.904 0 1 FHAF Fc1ccc2[nH]cc(CCCNCCOc3cccc4c3OCCO4)c2c1 2022579 KHNYULBQTPNFTQ-UHFFFAOYSA-N 370.424 3.679 0 1 FHAF O=c1c(-c2ccc(Cl)cc2)nc2cncnc2n1Cc1ccc(F)cc1 4238416 KEBCWVZLGKILTC-UHFFFAOYSA-N 366.783 3.694 0 1 FHAF CN(C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccc1 12649764 XKBOKFINTGKGGI-JNKARSBBSA-N 361.869 3.770 0 1 FHAF NC(=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 13612127 DBXRQSUMLUDDFF-UHFFFAOYSA-N 356.385 3.581 0 1 FHAF CS(=O)(=O)Nc1cc2c(cc1Sc1c(F)cccc1F)C(=O)CC2 13744796 YOULWLUHEYHUJF-UHFFFAOYSA-N 369.414 3.616 0 1 FHAF CCCn1nccc1NC(=O)Cn1cc(-c2c[nH]c3c(C)cccc23)cn1 23544192 WFQCLBRZPZFNQP-UHFFFAOYSA-N 362.437 3.585 0 1 FHAF CS(=O)(=O)c1ccc(-c2sc3nncn3c2-c2ccccc2)cc1 27717201 XZIOETBWVABBKJ-UHFFFAOYSA-N 355.444 3.528 0 1 FHAF COc1ccc(-c2oc3cc(OC)c(OC)cc3c(=O)c2OC)cc1OC 27868543 RDIOFXZOPVNWQF-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF Cn1c(=O)cc(Nc2ccc(F)cc2)c2cnn(-c3c(F)cccc3F)c21 43012316 OSUHNYIQFCDTCD-UHFFFAOYSA-N 370.334 3.885 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)C(=O)CCC2 49069203 MYKNPZWQOUAWNO-UHFFFAOYSA-N 373.408 3.781 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OS(=O)(=O)O)CC[C@]34C)[C@@H]1CCC2=O 59066194 ZMITXKRGXGRMKS-XRJZGPCZSA-N 370.511 3.786 0 1 FHAF in-vitro CC(C)c1ccc([C@H]2SCCC(=O)N2NC(=O)c2ccncc2)cc1 84635730 PHONIEHIUTYPDE-LJQANCHMSA-N 355.463 3.514 0 1 FHAF O[C@H](COc1ccc2c(c1)[nH]c1ccccc12)CN1CCOc2ccccc21 96939744 MBTWUIJKHWOZQX-INIZCTEOSA-N 374.440 3.960 0 1 FHAF COc1ccc([C@@H]2CC(c3ccc4c(c3)OCO4)=Cc3n[nH]c(O)c32)cc1 103184166 HCRSZCMEVZQTNW-INIZCTEOSA-N 362.385 3.929 0 1 FHAF CCc1ccc(CN(C)c2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 202610060 JKCDMZNXGQLAIN-UHFFFAOYSA-N 373.504 3.942 0 1 FHAF COc1ccc2c(c1)CC[C@@H](O)/C2=C/c1cc(OC)c(OC)c(OC)c1 207297733 ZMFSGTZTXVKBCT-JIARHERNSA-N 356.418 3.569 0 1 FHAF O=C1NCCc2[nH]c(-c3c(F)ccc4ccc(Nc5cccnc5)nc34)cc21 222341986 CQOGWJPRIVQKRD-UHFFFAOYSA-N 373.391 3.794 0 1 FHAF COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(-c4cn[nH]c4)cc23)c1 261076587 BANPCWFXBJUPMN-UHFFFAOYSA-N 373.416 3.784 0 1 FHAF COC(=O)[C@@H](F)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586985709 FKIHXZYXXRXPPC-KRWDZBQOSA-N 351.333 3.644 0 1 FHAF Cc1nc(Br)sc1-c1nc2cc(Br)ncc2[nH]1 587010954 KFLCYKKEIBXLRD-UHFFFAOYSA-N 374.061 3.915 0 1 FHAF Brc1cnc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587037830 YVRAMYCRCDDAKW-NSHDSACASA-N 350.241 3.638 0 1 FHAF O=C1CSc2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2N1 587044449 XCAVGSANVZVGSR-UHFFFAOYSA-N 353.300 3.831 0 1 FHAF NS(=O)(=O)c1cccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587053639 HMGDYADAHSEBRS-FPLPWBNLSA-N 368.245 3.688 0 1 FHAF CCOc1ccccc1[C@](N)(c1nc2cc(Cl)cnc2[nH]1)C(F)(F)F 587091521 FEHCHBKKHPNQJY-HNNXBMFYSA-N 370.762 3.775 0 1 FHAF CC[C@@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342283 MOWNALRDKUZQCV-CTNGQTDRSA-N 366.392 3.929 0 1 FHAF C[C@]1(C2(C(=O)O)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354212 PVQMIEGBGKRNKY-LPHOPBHVSA-N 356.349 3.514 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(CO)(c3ccccc3)CC1)O2 587404183 OYQIKGBHPXYVBY-UHFFFAOYSA-N 351.446 3.786 0 1 FHAF CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587439490 AZSVUUBPSUNLCU-VFNWGFHPSA-N 354.402 3.981 0 1 FHAF CC[C@@]1(c2cc(C(=O)OC)n(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587513390 RWOCJEDFSRTXNW-QFIPXVFZSA-N 367.445 3.961 0 1 FHAF C[C@]1(C2(O)CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607048 GYXXVMTUXIVZFB-PXNSSMCTSA-N 354.402 3.808 0 1 FHAF C[C@@]1(c2sccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615577 YPNIQOFEYJPJGZ-DNVCBOLYSA-N 353.399 3.913 0 1 FHAF CC[C@]1([C@@H](C)CN(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587742917 VAFFHFOCSSQYLY-NVGCLXPQSA-N 357.311 3.925 0 1 FHAF CC(=O)Nc1sc2c(c1-c1nc3cc(N(C)C)ccc3s1)CCNC2 1857583156 PGVMKMBJXYVZBY-UHFFFAOYSA-N 372.519 3.695 0 1 FHAF COc1cc(OC)cc(-c2cn(Cc3cc(-c4ccccc4)no3)nn2)c1 1857651157 CREFTHSVXSWCCE-UHFFFAOYSA-N 362.389 3.666 0 1 FHAF CC=Cc1ccc(O[C@H](C)[C@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 2356594887 LBYGDOQPEKTTHN-XCLFUZPHSA-N 374.433 3.952 0 1 FHAF Cc1ccc(C)c(N2CCN([C@H](C(=O)NC3CCCC3)C(C)C)CC2)c1 95601702 DJYKRZORDGBNOS-NRFANRHFSA-N 357.542 3.509 0 3 FHAF O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cccc3c2OCCC3)CC1 13471820 PPPYBCSUNHZWSN-FGZHOGPDSA-N 367.464 3.988 0 1 FHAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OC2CCCC2)cc1 28883859 FHIGIXCAQVCJHZ-UHFFFAOYSA-N 374.384 3.616 0 1 FHAF CCC[C@H](CC1(C(=O)Nc2nnc(CC3CC3)s2)CCCC1)C(=O)O 34659880 OQFRYNRNDUZGLA-CYBMUJFWSA-N 365.499 3.881 0 1 FHAF Cc1cc(OC[C@@H](O)CNC(C)(C)C)ccc1-c1ncc(C(F)(F)F)[nH]1 39241341 KHFCJIWEOWRNCQ-LBPRGKRZSA-N 371.403 3.532 0 1 FHAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)O1 45375168 NQNSVFXDBXNFOJ-CQSZACIVSA-N 352.173 3.963 0 1 FHAF COC(=O)c1sc2ncccc2c1NC(=O)CCSc1ccccn1 59256250 UADOYSQUNWRUHT-UHFFFAOYSA-N 373.459 3.599 0 1 FHAF Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(-c4ccsc4)cc3c12 64448978 PNXKNLVMBBJLFQ-UHFFFAOYSA-N 373.441 3.524 0 1 FHAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@H]3NC(=O)NC(=N)[C@@H]32)cc1 64453376 MIDSAJAJOYYSFS-LVCYWYKZSA-N 373.412 3.605 0 1 FHAF Cc1ccc(CNCC2(F)C[C@H]3CC[C@H](C2)N3C(=O)c2ccccc2)nc1 102415088 QQEUXAKRLNGTFT-WOJBJXKFSA-N 367.468 3.655 0 1 FHAF O=c1cc(CO)c2ccc(OCc3cccc(Br)c3)cc2o1 103243564 OMUDBOMCBPBJSW-UHFFFAOYSA-N 361.191 3.627 0 1 FHAF c1ccc2nc(COc3ccc4ncn(-c5ccncn5)c4c3)ccc2c1 103247851 NRDAQXSEPMKYFE-UHFFFAOYSA-N 353.385 3.943 0 1 FHAF C[C@@H](NC(=O)Nc1cc2[nH]nc([C@@H]3CC3(F)F)c2cn1)c1ccccc1 261169250 SNZJMZZLTDPBBU-MFKMUULPSA-N 357.364 3.963 0 1 FHAF CCOC(=O)Cc1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587015851 CSDMKDHNASZWDE-HNNXBMFYSA-N 357.435 3.644 0 1 FHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccnc(Br)c2[nH]1 587070822 UKCVNDBJTJVBGM-SNVBAGLBSA-N 365.662 3.659 0 1 FHAF N=c1[nH]cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)nc-2[nH]1 587141592 WAGROCWLSCPEHJ-UHFFFAOYSA-N 369.400 3.955 0 1 FHAF Cc1ccc(-c2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c(Cl)c2)cc1F 587147573 UKDAEUICQHNZOH-UHFFFAOYSA-N 369.787 3.906 0 1 FHAF Fc1ccc(-c2cnn(Cc3nc4cc(Br)cnc4[nH]3)c2)cc1 587165473 WUSJXALMSQNZBK-UHFFFAOYSA-N 372.201 3.771 0 1 FHAF Nc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cnc2c(F)cccc12 587176231 IQARSRSDNXCVME-UHFFFAOYSA-N 350.353 3.661 0 1 FHAF CCOC(=O)CNc1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 587227703 SKCDBMDGUGXJOI-UHFFFAOYSA-N 365.220 3.907 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CCCn3cncc32)[C@H]1c1ccc(F)cc1 587334674 FRTPBQWOYZCLQO-PZJWPPBQSA-N 364.376 3.776 0 1 FHAF Cc1ccnn1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342493 NVCIYDLOMLTADZ-TZIWHRDSSA-N 366.392 3.854 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC1CCN(C(=O)OC(C)(C)C)CC1)O2 587396831 WJWGRONFUVQWKW-OAHLLOKOSA-N 374.481 3.948 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1[nH]c4nccc-4c(Cl)c1F)[C@@H](C2)C3=O 587427279 RSZZKOAOMASVDS-BTDLBPIBSA-N 358.756 3.804 0 1 FHAF COc1cc2c3c(c1)OC1(CCN([C@H]4CCC[C@H](C)C4)CC1)[C@@H](C2)C3=O 587434615 BRNRDIFBWBXIPB-ZVZYQTTQSA-N 355.478 3.856 0 1 FHAF COC(=O)C[C@@]1([C@@H](C)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441054 CMIVQPRZXFPFLU-GZOOOWMASA-N 366.413 3.548 0 1 FHAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)nc1OC 587519275 XPNQOWKUXASVTO-QGZVFWFLSA-N 369.417 3.693 0 1 FHAF CCCn1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587584284 ZGKJMXXKGXUZMN-YLJYHZDGSA-N 350.374 3.702 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]1C[C@@H]2CCC1=O 587601221 CIKKJCFEOQDVKC-BFSXNFSYSA-N 364.397 3.872 0 1 FHAF CCc1nccnc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587767869 BQDXJEJATJKDRH-BMLIUANNSA-N 364.262 3.738 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncn3ccccc23)N1 587774532 WEOZTAMQTLYSRM-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF COC(=O)Cc1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 587783382 QEQMCFUCRQSEMR-UHFFFAOYSA-N 363.186 3.847 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1CCO[C@@H]1C2(C)C 587837313 FQMZPLCLQXUEJM-MLBAQRQYSA-N 354.263 3.763 0 1 FHAF CO[C@@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCCCO4)CC1 587952351 PJHZGOAZBTWZLO-NFOMZHRRSA-N 360.454 3.802 0 1 FHAF CCCOc1ccc([C@]2(c3ncco3)NCCc3nc4ccccn4c32)cc1 962988908 YXNNCFYLXQSPNQ-QFIPXVFZSA-N 374.444 3.549 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(OC(F)F)cc3F)c3cccc1c32 963038696 ZSQSYNPJXMPWLC-MGNBDDOMSA-N 362.351 3.570 0 1 FHAF Cc1cc2c(cc1O)[C@@](CCc1ccccc1)(C1CCC1)N[C@H](C(=O)O)C2 963529844 ZDXLJDJHCFUUDU-NZQKXSOJSA-N 365.473 3.928 0 1 FHAF O=c1c(-c2ccc3nonc3c2)nc2ccccc2n1Cc1ccccc1 1772628315 AONZDBAHWUYXHT-UHFFFAOYSA-N 354.369 3.648 0 1 FHAF O=C(Cc1ccncc1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1 1857542001 DYBRLYQVXBVVAV-UHFFFAOYSA-N 365.477 3.659 0 1 FHAF O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(Cl)ccc3n2c1 1857570169 GAOZXLAPXFDOJM-SFHVURJKSA-N 353.853 3.570 0 1 FHAF CC(C)N1CCC2(CC1)OCCN2C(=O)c1c(Cl)cccc1Cl 1857619084 VDCMDZMIXCIIFH-UHFFFAOYSA-N 357.281 3.666 0 1 FHAF CCc1c(C)nn(CCNC(=O)[C@H]2[C@@H](c3ccc(F)cc3)C2(C)C)c1C 1857642204 GQZOLOMMBPRALU-RTBURBONSA-N 357.473 3.757 0 1 FHAF COC=C(C(=O)OC)C(C)=C(C=Cc1ccc(Cl)c(OC)c1)OC 2356465546 YMXFXCLZQAQAGG-UHFFFAOYSA-N 352.814 3.986 0 1 FHAF COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)cc2)cc1 1379463 WJDRYNQUJGHZBB-SFHVURJKSA-N 353.422 3.639 0 3 FHAF CCOc1ccccc1C(=O)n1cc(-c2ccnc(N)n2)c2ccccc21 103297221 HZDOQSKDUCMTGU-UHFFFAOYSA-N 358.401 3.768 0 1 FHAF NC(=O)c1ccc(Oc2ccc3c(c2)CN(CCc2ccccc2)CC3)nc1 28825023 IZPIYLICUYIVEI-UHFFFAOYSA-N 373.456 3.574 0 1 FHAF O=S(=O)(Nc1ccc(-c2nnco2)cc1)c1cc(Cl)cc(Cl)c1 103290242 HWRMSAWZMPETAY-UHFFFAOYSA-N 370.217 3.844 0 1 FHAF Clc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 36216619 VRWKFSXVIDXVMV-UHFFFAOYSA-N 352.869 3.848 0 1 FHAF in-vitro CCCCOCCC[C@H](C)[C@@H](O)[C@H](C)C(=O)C(C)(C)C=CC(=O)OC 2356706964 CLECXPHLYXJGEV-XYJFISCASA-N 356.503 3.541 0 1 FHAF COC1=CC2=C3C(=CC=C(C)c4cc(C)oc43)N(C(C)=O)[C@H]2C=C1OC 2356863287 VEMRUOMVFBREGY-KRWDZBQOSA-N 351.402 3.947 0 1 FHAF COc1ccc2ccc(=O)oc2c1-c1cc(-c2cccs2)nc(N)n1 72120140 NUMCPYQPSMPUJB-UHFFFAOYSA-N 351.387 3.569 0 1 FHAF CC(C)Oc1ncc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)cn1 72103505 NWESEUDQXHFBOY-IBGZPJMESA-N 355.825 3.596 0 1 FHAF O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1 43023746 VASQQZAFIQDBHR-UHFFFAOYSA-N 355.869 3.593 0 1 FHAF N=C(Nc1ccc2c(c1)CCC(=O)N2CCN1CCCC1)c1cccs1 73159837 NSXQCPBYTLDFBY-UHFFFAOYSA-N 368.506 3.561 0 1 FHAF CCC[C@H](CC(=O)CC(=O)CCc1ccc(O)c(OC)c1)c1cnc[cH-]1 85627204 VMCYBZWGMLAIMJ-MRXNPFEDSA-N 356.442 3.950 0 1 FHAF biogenic,in-vitro CC(C)N1CCC[C@H](c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1 49070863 QTONZRQJLGKQRC-KRWDZBQOSA-N 362.477 3.917 0 1 FHAF COc1ccc(CCC(=O)CCc2ccc(OC)c(OC)c2)cc1OC 45355305 PQHRWFBKRXDXGI-UHFFFAOYSA-N 358.434 3.856 0 1 FHAF O=C(Nc1ccncc1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 147874084 MIZLQBKBYFXSPK-UHFFFAOYSA-N 354.373 3.754 0 1 FHAF O=C(Nc1ccccn1)[C@@H]1C(=O)N2c3ccccc3CCc3cccc1c32 96178947 SSIMOCKFTGOIMR-LJQANCHMSA-N 355.397 3.581 0 1 FHAF CCN(CC)c1cc(/C=C2/OC(=O)c3cc(OC)c(OC)cc32)ccc1O 2382217883 NGKSBGUEGQBVKO-VCHYOVAHSA-N 369.417 3.924 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(N)=S)cc1)CC2=O 587491781 NFQLGIKGDTXIBP-HXUWFJFHSA-N 370.474 3.881 0 1 FHAF C[C@]1([C@H]2CCCCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343465 CEAWDDSOOMZTSU-SVFBPWRDSA-N 355.409 3.791 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccnn1C 587859794 JBCBVVCRMJVSDJ-UHFFFAOYSA-N 365.220 3.678 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586893016 YVCNOLPDVYAACR-UZLBHIALSA-N 352.459 3.728 0 1 FHAF COc1cc2c3c(c1)OC1(CCN(c4ccc(F)cc4F)CC1)[C@@H](C2)C3=O 587426137 LPXHRMDBHVSJJO-HNNXBMFYSA-N 371.383 3.760 0 1 FHAF COc1cccc([C@H](C)Cc2nc3ccc(OCCN(C)C)cc3[nH]2)c1 587929493 BIZWLFJASRLGCT-OAHLLOKOSA-N 353.466 3.858 0 1 FHAF O=Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587610070 PLEUOTAHIRSFIC-UWJYYQICSA-N 362.337 3.613 0 1 FHAF COC(=O)C[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587805150 GWPOUDJNNBBWDL-MOCULFSLSA-N 370.262 3.681 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)Cc2ccnn2C)N1 587762145 XHRPINFRDKLIJZ-AGKHESDQSA-N 366.278 3.776 0 1 FHAF CCOC(=O)[C@H](CC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798591 PBXASHIXQJHSIB-QAGHZCBJSA-N 372.278 3.927 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)nc(Cl)c3[nH]1)C2 587247033 LYMHQRCSAAHXKQ-KRWDZBQOSA-N 363.248 3.616 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1csc(-c4ccccn4)n1)[C@@H](C2)C3=O 587450883 LNOPYHFTVLTNMH-SGTLLEGYSA-N 350.399 3.702 0 1 FHAF Cc1cc(Br)ccc1OCc1nc2nc(Cl)c[nH]c-2n1 586981861 VVQQHAHBFRUUFH-UHFFFAOYSA-N 353.607 3.608 0 1 FHAF O=C(c1ccccc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659838 FRHMXRPEHCWUAD-UHFFFAOYSA-N 360.344 3.597 0 1 FHAF CCc1nn(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587765753 UARSAJZBWGAOPK-FVMDXXJSSA-N 352.251 3.508 0 1 FHAF COc1cc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2cn1 586975346 AWQVKZQUSJAGCA-GQCTYLIASA-N 360.211 3.908 0 1 FHAF Cc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)c2ccc(F)cc2C[C@H]2CCCN21 963097770 HKFYJTLPYBNXDX-ZHRRBRCNSA-N 365.404 3.759 0 1 FHAF CCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(C)cc1 13864535 MFVUNOMUMRZZRS-UHFFFAOYSA-N 355.463 3.786 0 1 FHAF C=COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 169347855 RLGRBCGDJFLELB-IBGZPJMESA-N 364.401 3.692 0 1 FHAF CCC[C@H]1[C@@H](NC(=O)c2cccnc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712561 MSBPRVQVEAYZKR-MDPIYQRISA-N 369.509 3.551 0 3 FHAF CC(C)NC(=N)c1ccc2nc(N3Cc4ccccc4C3=O)sc2c1 1857537871 XROKUTKJNPNOAD-UHFFFAOYSA-N 350.447 3.780 0 1 FHAF COc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)nn3c2)cc1F 1857609561 LOEZSCCJEJDBQT-UHFFFAOYSA-N 362.364 3.796 0 1 FHAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1cc(O)cc(O)c1)O2 1857651595 GWRHEGZWDJTHEA-QGZVFWFLSA-N 356.374 3.724 0 1 FHAF O=C1CC[C@@H]([C@@H]2c3ccccc3CCN2C(=O)OCc2ccccc2)O1 589790 FVDMDGICJYHMRB-ICSRJNTNSA-N 351.402 3.628 0 1 FHAF CCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC(C)(C)O2 2487690 VLYCLVXSLYAAOP-AEFFLSMTSA-N 360.498 3.587 0 1 FHAF CSc1ccc(CCNC(=O)C2=C(C)C(=O)OC23CCCCC3)cc1 6772447 ALLUXOSXNUSWBD-UHFFFAOYSA-N 359.491 3.643 0 1 FHAF COc1ccc(OC)c(CNC(=O)c2ccc3nc(C(C)C)oc3c2)c1 8611429 PHCJNJONUBBBEJ-UHFFFAOYSA-N 354.406 3.898 0 1 FHAF C1=C(c2ccc(CN3CCSCC3)cc2)N2CCN=C2c2ccccc21 13740221 OIDKHURQGVYQBG-UHFFFAOYSA-N 361.514 3.809 0 1 FHAF C/C(=C\CCc1ccoc1)C[C@H](O)C[C@H](C)CCCC1=CC(=O)O[C@@H]1O 15222808 BUUWGAHLHPTCTL-NCWGSNCHSA-N 362.466 3.908 0 1 FHAF CCNC(=O)COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12 28365232 BHNFESGHGXWWQF-UHFFFAOYSA-N 366.392 3.746 0 1 FHAF CC(C)C[C@H]1NC(=O)OC12CCN(CCc1c[nH]c3ccccc13)CC2 28761314 KKNDVSNBBWCRPI-LJQANCHMSA-N 355.482 3.700 0 1 FHAF O=C(CCNc1ccnc(NCC2CCCCC2)n1)Nc1ccccc1 45190387 IVNGWNIJOFZHNK-UHFFFAOYSA-N 353.470 3.910 0 1 FHAF O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(O)cc2)c2ccccc12 45366923 IXDVGCQDETXYKH-UHFFFAOYSA-N 357.369 3.553 0 1 FHAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(=O)NC(C(=O)O)C(=O)O 45367815 CNYXCJMDAMZABI-YKXWRRLFSA-N 363.454 3.616 0 1 FHAF COc1ccc(CCNc2cc(-c3ccccc3F)ncn2)cc1OC 82162184 MZCWVHWJNYEREB-UHFFFAOYSA-N 353.397 3.955 0 1 FHAF C[C@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(OCCN)c(F)c1 84688067 CZNGGIYTGUBLER-HNNXBMFYSA-N 372.484 3.881 0 1 FHAF CCCNS(=O)(=O)c1ccc(Oc2ccc(CC)cc2O)c(F)c1 95573365 QHTPEKXRQPRPNU-UHFFFAOYSA-N 353.415 3.574 0 1 FHAF COC(=O)[C@@H]1C[C@@H]2C[C@@H]1CN2CCOc1ccc(Cc2ccccc2)cc1 100879670 IFWDQXSUHPPOCV-RZUBCFFCSA-N 365.473 3.540 0 1 FHAF CC(C)C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H](CC(C)C)C(=O)N1C 103267042 NKGVTDMQMZSKIE-BURNTYAHSA-N 370.537 3.920 0 1 FHAF Oc1ncc(-c2c[nH]c3ccccc23)nc1-c1ccc(N2CCOCC2)cc1 299840999 XGWRRZDRVQFNFS-UHFFFAOYSA-N 372.428 3.834 0 1 FHAF Nc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1N 587137261 WKQGHTNXNSLALJ-UHFFFAOYSA-N 355.598 3.949 0 1 FHAF Nc1ncnc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159912 YKQKHQZGDZHLGT-HNNXBMFYSA-N 369.787 3.896 0 1 FHAF CC(=O)N[C@@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(C)cc1 587205420 ACSIFBXRLQUTBU-ZDUSSCGKSA-N 363.248 3.993 0 1 FHAF CCNC(=O)CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587231613 YWVSVKPSFWWJKV-UHFFFAOYSA-N 353.266 3.669 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccn1CCc1ccncc1)[C@@H](C2)C3=O 587431344 OCUFIJJBADMYSC-HTAPYJJXSA-N 360.413 3.623 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCN(C(=O)OC(C)(C)C)[C@H]1C)[C@@H](C2)C3=O 587441480 GAENVODLYQWYRV-HCQWSFJTSA-N 373.449 3.601 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)nn1C)CC2=O 587461068 WEAQQQBTCCAMFM-AWEZNQCLSA-N 365.227 3.547 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CC)(CNC(=O)OC(C)(C)C)CC2=O 587471562 TWPAYPAQVUQTGN-HXUWFJFHSA-N 363.454 3.983 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@]1(C(=O)O)C2(C)C 587493001 ZZEPCSVCSNLTCL-NSZCRDCNSA-N 358.434 3.960 0 1 FHAF C[C@@]1(c2ccccc2[C@@H](O)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587533980 TWEXBIHYRSFWPV-KNQAVFIVSA-N 366.413 3.564 0 1 FHAF Cn1cc(Cl)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587552378 QXDYJYLSTUPBDH-DNVCBOLYSA-N 370.792 3.656 0 1 FHAF C[C@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571868 RVFFGOMEBWAIAL-FXAWDEMLSA-N 351.333 3.803 0 1 FHAF COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1N 587747225 KTKZXQBQQSCYBD-XLFHBGCDSA-N 365.246 3.803 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C3CC3)nn2C)N1 587765360 SYMHJEAQKTZLEZ-XLFHBGCDSA-N 364.262 3.823 0 1 FHAF Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587774044 LAZRUQGQAKVUQU-ZKANADHPSA-N 350.235 3.619 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(CC(=O)O)CC2)N1 587832692 ZYEYGDJOWIELDS-LJRHVDQYSA-N 370.262 3.983 0 1 FHAF COC(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1OC 587949967 GXEQHDSULCSTRJ-UHFFFAOYSA-N 370.449 3.844 0 1 FHAF COCCCN1CCc2ccc(OC)cc2[C@@H]1c1nc2c(s1)CCC2 961326189 RLLZINROYXTYNT-LJQANCHMSA-N 358.507 3.624 0 1 FHAF COCCCN1CCc2ccc(OC)cc2[C@@H]1c1cnc2ccc(C)cn12 961327178 UDIRLKLQJFZFQG-JOCHJYFZSA-N 365.477 3.635 0 1 FHAF COc1cccc([C@]2(c3cc(C)cc(C)c3)NCCc3ccc(O)cc32)n1 963343404 VRHQAVNVCLIAKW-HSZRJFAPSA-N 360.457 3.850 0 1 FHAF COc1cc(/C=C\c2ccc3c(c2)c(CO)cn3C)cc(OC)c1OC 1857651230 AXMKMSHFSBMTIV-WAYWQWQTSA-N 353.418 3.867 0 1 FHAF CCc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1 2382216473 XDOSUKCIPXDELO-UHFFFAOYSA-N 353.447 3.815 0 1 FHAF CCC(C)(C)C(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 201464347 MQIDSPHTELHOPO-IBGZPJMESA-N 356.510 3.855 0 3 FHAF O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccoc1 775015 BOLCNJCOINVUHF-JKSUJKDBSA-N 370.380 3.774 0 1 FHAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCCOC)cc1 2483342 VCYSESSEXBPKMN-UHFFFAOYSA-N 360.454 3.804 0 1 FHAF O=C(CCSCc1ccccc1F)N1CCN(c2ccccc2)CC1 3031687 YXMXVDWMVDTLLZ-UHFFFAOYSA-N 358.482 3.798 0 1 FHAF CCCCNC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2 3063303 USWPGZWJWJRKNS-UHFFFAOYSA-N 358.869 3.574 0 3 FHAF CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C1(O)CCCC1)C=CC=C3CO 102405520 HTKFJZJCVCZWBR-XLJIZYSNSA-N 372.505 3.787 0 1 FHAF CCCCN(C)c1nc2sc3c(OC)nnnc3c2c2c1CCCC2 28949411 CNDWHLUDCNFPFN-UHFFFAOYSA-N 357.483 3.758 0 1 FHAF CC(=O)Nc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114037278 UNHJXKXHKIFADV-FQEVSTJZSA-N 363.465 3.598 0 1 FHAF C[C@H](CCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O 2356484963 NRXYKCLIMLPUIO-YFYQMDMQSA-N 374.518 3.624 0 1 FHAF CCOC(=O)Cc1c(C2CC2)c(C(=O)OCC)cn1Cc1ccccc1 28473729 DBBVXTKDMBCQNQ-UHFFFAOYSA-N 355.434 3.696 0 1 FHAF CCC[C@@H](CC1(C(=O)Nc2nnc(CC3CC3)s2)CCCC1)C(=O)O 34659879 OQFRYNRNDUZGLA-ZDUSSCGKSA-N 365.499 3.881 0 1 FHAF CCC(C)(C)[C@@H]1CCc2n[nH]c(C(=O)NCc3ccc(OC)cc3)c2C1 36387439 NCUNEPMIPFBQHY-OAHLLOKOSA-N 355.482 3.889 0 3 FHAF CC(C)(C)NC[C@H](O)COc1ccc(-c2ncc(-c3ccccc3)[nH]2)cc1 39241325 FMXKXXYQOVKYOH-SFHVURJKSA-N 365.477 3.872 0 1 FHAF O=c1cc(-c2ccc(I)cc2)oc2cc(O)ccc12 87722927 BMVGKJMMIHURCF-UHFFFAOYSA-N 364.138 3.770 0 1 FHAF NC(=O)C[S@](=O)Cc1ccccc1Oc1ccc(Cl)cc1Cl 84713273 BRABBUVLKKLNGS-QFIPXVFZSA-N 358.246 3.520 0 1 FHAF COC(=O)CCSC/C=C(\C)CCn1cc(CCc2ccccc2)nn1 84713621 KFKRVSZQFHEAKW-GZTJUZNOSA-N 373.522 3.696 0 1 FHAF CCCC[C@@H](/C=C1/C[C@](CO)(COC(=O)C2CCCCC2)OC1=O)CC 40395233 BVJLDIOBLWMSQO-JUJMOSGRSA-N 366.498 3.931 0 1 FHAF O=C(NCc1ccccc1Cl)c1ccc(OCCC(F)(F)F)nc1 45288123 DKAXESBKSVUNGZ-UHFFFAOYSA-N 358.747 3.996 0 1 FHAF O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3ccccc3c2)N1C1CC1 95570015 WHMOPSOIVLEILY-HXUWFJFHSA-N 367.412 3.523 0 3 FHAF Cc1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)nc(Cl)n1 653880699 ZADDORSNCRVAMI-UHFFFAOYSA-N 374.275 3.967 0 1 FHAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cnncc2[nH]1 587035751 ZHVQYTGIUNNQKS-GFCCVEGCSA-N 351.435 3.839 0 1 FHAF Cc1cc2c(cn1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588692 UNMBVGXDFIGKAU-SIKLNZKXSA-N 359.381 3.899 0 1 FHAF CC[C@]1(c2nccn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757985 WLETXEKQFBROBZ-QFYYESIMSA-N 352.251 3.510 0 1 FHAF CC(C)OC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587796297 TTWHSUSBUWVKIU-HWPZZCPQSA-N 358.251 3.679 0 1 FHAF O=Cc1sccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615867 ZLXIYAYXGUUWFT-APWZRJJASA-N 352.367 3.969 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1O)[C@@H](C2)C3=O 587417390 JZOMEVYXJSXEGI-YVEFUNNKSA-N 361.191 3.652 0 1 FHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587052520 DJEBSJDXHDIMID-MRVPVSSYSA-N 357.628 3.866 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cncc1F 587566867 AYBHILJHGXGJSX-LPHOPBHVSA-N 355.296 3.768 0 1 FHAF COc1ccc(-n2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 587392703 WBQHICMPPCZWND-OAQYLSRUSA-N 363.417 3.652 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(C2CC2)N1 587739149 GBYQLZWOEVOIDZ-VNLLOXMOSA-N 353.279 3.803 0 1 FHAF COC(=O)[C@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354855 VYNCJQUPYZGSOI-NVMYHKGLSA-N 370.376 3.602 0 1 FHAF OCc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587076754 OSSDDGOIIBEMPH-UHFFFAOYSA-N 354.797 3.544 0 1 FHAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnc2nncn12 587106047 LEKLAVXCWTZQLO-UHFFFAOYSA-N 363.380 3.859 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1nc(C(F)(F)F)cs1)[C@@H](C2)C3=O 587423890 VZVANRUWHFLPLK-VFZGTOFNSA-N 355.337 3.833 0 1 FHAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(I)cc2[nH]1 586910201 GRRWWNKJZGNCSW-MFKMUULPSA-N 356.207 3.840 0 1 FHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587787423 VNKBVHXMGANHCG-NEPJUHHUSA-N 372.327 3.828 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CCO[C@H]1C21CCC1 587608075 JIGPUHZHUOZMOS-HZFJNSHTSA-N 364.397 3.682 0 1 FHAF Nc1nc(Br)ccc1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963086744 CEYVFRWEVOUFAR-ZBEGNZNMSA-N 362.246 3.675 0 1 FHAF CCOC(=O)C[C@]1(c2cccc(OC)c2)NCCc2cccc(Cl)c21 963391099 PXERRWYPGBMSGF-HXUWFJFHSA-N 359.853 3.691 0 1 FHAF COc1cc2c(cc1OC)[C@](C)(c1nc3c(s1)CCC3)N(C)[C@H](C)C2 962618807 DWTGFOXDCNZBLK-MPBGBICISA-N 358.507 3.789 0 1 FHAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1cnccn1 961779632 UORGZCNWDWZTJW-IBGZPJMESA-N 366.465 3.717 0 1 FHAF CCn1nncc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831776 JFNZDBJMCWYYKU-QFIPXVFZSA-N 373.460 3.593 0 1 FHAF COc1ccc([C@@H]2NC(=S)N=C3c4ccc(OC)cc4CC[C@@H]32)cc1 169691780 GJVVTFSEYJXNDO-MSOLQXFVSA-N 352.459 3.685 0 1 FHAF O=C(c1cc(-c2ccc(O)nc2)on1)N1CCC(Cc2ccccc2)CC1 1857535113 DYKBECSGWWJCID-UHFFFAOYSA-N 363.417 3.537 0 1 FHAF CN(CCNc1ccccn1)CCNc1ccnc2cc(Cl)ccc12 1857653443 NUAPSFDLWDBYAT-UHFFFAOYSA-N 355.873 3.739 0 1 FHAF O=C1C[C@@H](c2nnc(Cc3ccc(F)cc3Cl)o2)CN1c1ccccc1 6822984 XOUJNOLEVQVMOJ-CYBMUJFWSA-N 371.799 3.973 0 1 FHAF CCCCC[C@@H](O)CCN1C(=O)CS[C@H]1CCCCCCC(=O)O 27098614 MAKBTMYLUUUASJ-WBVHZDCISA-N 359.532 3.644 0 1 FHAF O=C(Nc1ccc2c(c1)c1ccccc1n2[C@H]1CCOC1)N1CCOCC1 27103436 ABHPYCROGZZOEB-INIZCTEOSA-N 365.433 3.620 0 1 FHAF CC(C)=CC[C@H](O)[C@H](C)CCC/C(C)=C/CC[C@H](C)C[C@H](O)[C@@H](N)CO 33954862 ASNURABVVXFZSH-MEPGSIEQSA-N 369.590 3.943 0 1 FHAF COC(=O)c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C 45356009 TZMNVWQJGVVEND-AZUAARDMSA-N 371.864 3.767 0 1 FHAF CC(C)[C@H]1CC[C@H]2[C@@H]3C=C[C@](C)(O)[C@](C)(O)C[C@]3(C)CC[C@@]21C(=O)O 59779283 AKBSNWDXVWOXPJ-XKLYTAQNSA-N 350.499 3.618 0 1 FHAF O=C(COc1ccccc1)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1 73198697 VSLUPRFXPPLUOT-SFHVURJKSA-N 356.809 3.900 0 1 FHAF C[C@H]1CCCN1c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 82231297 GHKVKHMIWWNKLC-AWEZNQCLSA-N 366.490 3.740 0 1 FHAF CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(CC)cc12 96908244 FDWXWGMBMDDQLS-UHFFFAOYSA-N 372.513 3.701 0 1 FHAF COc1cc(-n2c(-c3cccc(F)c3)cccc2=O)cc(OC)c1OC 96930127 QLKGKQINTFUHEF-UHFFFAOYSA-N 355.365 3.669 0 1 FHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(Cl)cc1 117583380 PIOFHUGEKKZSKN-UHFFFAOYSA-N 359.857 3.851 0 1 FHAF Cc1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 142076564 YEUDACDOZNWCHD-LJQANCHMSA-N 374.362 3.629 0 1 FHAF O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2Cl)c1 146645025 JVEGQTZXGNUQNB-UHFFFAOYSA-N 364.188 3.851 0 1 FHAF O=C(Nc1cccc2c1C[C@H](O)CC2)N[C@@H]1CC[C@H](c2ccccc2)C1 147212036 VDZTXFMUUMHYNW-IPMKNSEASA-N 350.462 3.994 0 1 FHAF O=C(CNCC1(O)CCCC1)N1CCc2ccccc2[C@@H]1C1CCCCC1 201359678 YQBZAZCCJGCVGK-QFIPXVFZSA-N 370.537 3.587 0 1 FHAF C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CC[C@@H](C)C3 223658449 ZNCPXKJCKQDBBN-NEPJUHHUSA-N 353.495 3.637 0 1 FHAF CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CC=C[C@H]23)C(=O)O1 238740438 MZIXUMAVQWNJGE-JIVFAJJISA-N 360.450 3.862 0 1 FHAF COC(=O)C[C@H](C)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C 238774144 QITUJLTUQMLIPF-RWBBEJTFSA-N 352.515 3.708 0 1 FHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587111826 BFHDVLXNAHPXOO-LBPRGKRZSA-N 367.302 3.662 0 1 FHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587114664 WYFURERUDOKJHR-LBPRGKRZSA-N 367.302 3.662 0 1 FHAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cnc(Cl)[nH]c-2n1 587116484 YUHFKEPVGKLRSF-UHFFFAOYSA-N 350.691 3.587 0 1 FHAF Cc1cnc(Cl)c2[nH]c(-c3cncc(I)c3)nc12 587184040 BAMBKZWNAGBIOI-UHFFFAOYSA-N 370.581 3.586 0 1 FHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587232122 UGFGIQFAPQKITQ-RYUDHWBXSA-N 369.387 3.618 0 1 FHAF CC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354533 UXFNHKFLCGZQIK-AZUAARDMSA-N 358.365 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(Br)cc1C)O2 587373938 WBCHMBDXDFUWFG-QGZVFWFLSA-N 361.239 3.924 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)Nc1ccccc1)(C(C)C)O2 587392151 XLHWYZKBOPFMIP-NRFANRHFSA-N 352.434 3.966 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)CC1(C)C)O2 587394848 JNZLPJSQXFAOLS-OAQYLSRUSA-N 374.481 3.948 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(Cc1ccccc1)CC2=O 587478120 IAPBUIAGFZNNTG-JOCHJYFZSA-N 368.429 3.855 0 1 FHAF Cc1ccc(F)c2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587507508 NBWIZLFZZCYUPI-OAQYLSRUSA-N 351.377 3.826 0 1 FHAF CCCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579734 WEQTXUNVBAPLAH-QFBILLFUSA-N 350.374 3.702 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nc[nH]c12 587592497 YYSHGTHGLCMBPV-DYESRHJHSA-N 358.353 3.971 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cnc(Cl)cn1 587655770 QMFHWZLQFCLAKW-UHFFFAOYSA-N 370.746 3.774 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ncn2)N1 587707398 VIQUEQWGJRULHA-ANRSDYALSA-N 370.653 3.829 0 1 FHAF Cc1ccnn1C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587760307 PAPBHYCFHHTUHO-HWPZZCPQSA-N 352.251 3.543 0 1 FHAF CC[C@]1(c2ccn(C)n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587763614 KNVBNUAQGHEGPI-QFYYESIMSA-N 352.251 3.510 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C3CC3)nn2C)N1 587765358 SYMHJEAQKTZLEZ-VVVCHXIZSA-N 364.262 3.823 0 1 FHAF Cc1cn2c(n1)[C@@]1(CC=C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587775790 UEMOVJBJNOMQAT-QGHHPUGFSA-N 362.246 3.745 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CO)cc2)N1 587825132 FXNCVHKRQXTOLJ-DYZYQPBXSA-N 350.231 3.704 0 1 FHAF Cc1ncc(-n2c(O)ccc2OCCc2ccccc2)nc1Br 587942442 YNNSXIDVBNSGHV-UHFFFAOYSA-N 374.238 3.665 0 1 FHAF CO[C@@H](C)COC1CCC(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 587950316 AYEJMLKYUMBLJA-NFOMZHRRSA-N 372.444 3.965 0 1 FHAF NC(=O)N1CCc2sccc2[C@@H]1c1cccc(OC(F)(F)F)c1F 962710170 LJNLLRRPMCIDBS-CYBMUJFWSA-N 360.332 3.812 0 1 FHAF CCC[C@@H](C[C@H]1NCCc2c1c(C(C)C)nn2C)NC(=O)OC(C)(C)C 962915049 SZFAUGOCQZEXBK-LSDHHAIUSA-N 364.534 3.814 0 1 FHAF Cc1cc(Cn2nc(C(=O)O)cc2C)c2nc(N3CC=CCC3)sc2c1 1772575697 QFRUKEYNEOZQJN-UHFFFAOYSA-N 368.462 3.622 0 1 FHAF CC(=CCCC1=CC(=O)O[C@@H]1O)C[C@H](O)C[C@@H](C)CCCc1ccoc1 2356618339 NVFZWTRCRQELPN-DLVCFXQMSA-N 362.466 3.908 0 1 FHAF O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1nc2ccccc2s1 5055151 IZZBQXVJKDVEAR-UHFFFAOYSA-N 362.414 3.691 0 3 FHAF COc1ccc(OC)c([C@H]2N(c3ccc(Cl)cc3)C(=O)[C@H]3CCCN32)c1 57011189 GGLLJJQPFADSDH-IEBWSBKVSA-N 372.852 3.867 0 3 FHAF COCCCNC(=O)c1cccc2c(-c3ccc(O)c(OC)c3)coc12 61907968 NFZIHHHRDDWFLQ-UHFFFAOYSA-N 355.390 3.580 0 3 FHAF Cc1[nH]c2ccc(S(=O)(=O)c3cccc4ccccc34)cc2c1CCN 1492193 NELPBEUIKAVHQD-UHFFFAOYSA-N 364.470 3.964 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](n1ccnc1)[C@@H]2O 5543059 RXLJNRSVCPVTJX-KCWZSGSESA-N 356.510 3.719 0 1 FHAF O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1S(=O)(=O)c1ccccc1 5831597 VYYHECSZIFMLKM-JLMWTWJWSA-N 363.438 3.684 0 1 FHAF O=C(O)[C@H]1CCCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)C1 6751410 QFQWRDQWSABSDX-AWEZNQCLSA-N 354.431 3.629 0 1 FHAF CC(C)C(=CC(=O)O[C@@H](CO)COC(=O)CC(C(C)C)C(C)C)C(C)C 13517851 OKIBGIFZZLLBIL-KRWDZBQOSA-N 370.530 3.990 0 1 FHAF Cn1cc2c(NC(=O)NCc3ccc(Br)cc3)cccc2n1 14973808 WYNHZHGMTUMLOJ-UHFFFAOYSA-N 359.227 3.658 0 1 FHAF CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(O)cc23)C1(C)C 14975821 KPXCICWDVOJCEZ-UHFFFAOYSA-N 370.493 3.544 0 1 FHAF CC(=O)CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 28015722 IAARQYAELYCSIE-UHFFFAOYSA-N 364.489 3.706 0 1 FHAF O=C1NC(=O)[C@@H](Cc2ccc(C(=O)CCCc3ccccc3)cc2)S1 29485739 ROJISBLDGFSQQS-GOSISDBHSA-N 353.443 3.786 0 1 FHAF CCOc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O 34804111 ONHSKXIMNULGCU-UHFFFAOYSA-N 372.380 3.976 0 1 FHAF CC(C)N(CC[C@@](CCN(C)C)(C(N)=O)c1ccccc1Cl)C(C)C 39254144 MDMJDPHBWLEHAF-HXUWFJFHSA-N 367.965 3.524 0 1 FHAF COc1cc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2cc1OC 45352325 SPNAVXMRNIZXGD-UHFFFAOYSA-N 372.373 3.707 0 1 FHAF CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CC2(CCCC2)c2ccccc21 45391182 CIFVOYDAPUOIEX-RTWAWAEBSA-N 354.469 3.779 0 1 FHAF CNc1nc2cnc(Nc3ccc(OC)cc3OC)cc2n1CC1CC1 74388609 PZKMNVSIBMDPNR-UHFFFAOYSA-N 353.426 3.644 0 1 FHAF CC(C)NC[C@H](O)C[C@](O)(c1ccccc1)c1ccc(C(C)(C)C)cc1 84740954 JNUMEIKEYHOYMY-GGAORHGYSA-N 355.522 3.969 0 1 FHAF O=C(N[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1)c1ccc(F)cc1 169321593 FLODTWUEOBJEAW-UZLBHIALSA-N 363.436 3.799 0 1 FHAF CN(C)CCn1cc(-c2ccc3c(c2)CC[C@@H]3N=O)c(-c2ccncc2)n1 169686122 WBAXPGYKKFBTLR-FQEVSTJZSA-N 361.449 3.927 0 1 FHAF COC(=O)C1=CC(=O)C[C@@H](C)CCC[C@@H](C)C(=O)C[C@@H](C(C)C)C(=O)C1 253666787 FDULQXJIBZLYBH-DAYGRLMNSA-N 364.482 3.692 0 1 FHAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 586890759 OTRWTABFIUSSQW-IERDGZPVSA-N 365.477 3.541 0 1 FHAF O=C(O)c1cnc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586994447 SKFUHYYHIDTKSZ-UHFFFAOYSA-N 374.377 3.974 0 1 FHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccnc(Cl)c3[nH]2)C(F)(F)C1 587131757 CBPTZERLVWZAQE-QMMMGPOBSA-N 358.776 3.581 0 1 FHAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(CN=O)cc3)nc2c1 587190482 OQTBLBIPHLDSLZ-UHFFFAOYSA-N 372.450 3.527 0 1 FHAF O=C(O)[C@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350442 HTSCFOXRYNUKFZ-JTBRQZTESA-N 356.349 3.514 0 1 FHAF CCOc1ccc(CN(C)C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587387669 RKFWPYOEOSFCEO-FQEVSTJZSA-N 354.450 3.744 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C(=O)O)(c3ccccc3)CC1)O2 587403047 CALPCZXQHHKMDG-UHFFFAOYSA-N 365.429 3.878 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc4c(cc31)OCO4)CC2=O 587491624 ONDMNFUZTKVIHX-NRFANRHFSA-N 368.385 3.717 0 1 FHAF CCCN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580275 BTCIWVRPGWNJKT-SFHVURJKSA-N 353.418 3.598 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1c(C)n[nH]c1C 587872670 QONWCBFQTYIVIA-UHFFFAOYSA-N 356.401 3.701 0 1 FHAF CN(C)c1cccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873918 PPONAOVQNRTFCX-UHFFFAOYSA-N 353.353 3.580 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)CCc4ccccc4)ncc23)ccn1 1857588499 AIJHKEJKGWZNFV-UHFFFAOYSA-N 357.417 3.900 0 1 FHAF COCCN=c1[nH]c2cnc(-c3cccc(Oc4ccccc4)c3)cc2n1C 1857594002 ZLTKTXLNFPOMIJ-UHFFFAOYSA-N 374.444 3.908 0 1 FHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(OC)ncc21 1857602383 JFWNSGPSQAVKPA-UHFFFAOYSA-N 359.429 3.744 0 1 FHAF C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 36387737 ICTNNJSWTVCTGZ-GFCCVEGCSA-N 368.824 3.806 0 3 FHAF CCC(CC)CN1CCC(CN2C(=S)NC[C@@H]2Cc2ccccc2)CC1 61924328 YUJXSCBJVJCJMZ-NRFANRHFSA-N 373.610 3.936 0 3 FHAF CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C2 52912454 OUKMKZRIJHPMFI-DGVXXNCNSA-N 352.837 3.749 0 1 FHAF C[C@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)N(C)C 27315611 SSNFEYQBTYMHFS-CYBMUJFWSA-N 365.868 3.894 0 1 FHAF CCC[C@H]1OC(=O)O[C@]1(Cn1cncn1)c1ccc(Cl)cc1Cl 26009034 HACNONHVDPGJDF-UKRRQHHQSA-N 356.209 3.816 0 1 FHAF CCCSc1nc(C)ccc1C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 101550182 UTOVQHGEYUJTPN-IBIAUYFBSA-N 360.523 3.562 0 1 FHAF CC(=CCOc1c2occc2cc2ccc(=O)oc12)CC[C@@H](O)C(C)(C)O 2356489041 HWQSPRJGHSGSPF-MRXNPFEDSA-N 372.417 3.776 0 1 FHAF O=C(O)c1cn(C2CC2)c2c(F)c(CNc3ccccc3)c(F)cc2c1=O 27310945 BQYBJORGELLJNJ-UHFFFAOYSA-N 370.355 3.925 0 1 FHAF Cc1nc(C(=O)N2CCCC3(CCN(Cc4ccccc4)CC3)C2)cs1 64559110 PXZBMRRYQSNJHN-UHFFFAOYSA-N 369.534 3.970 0 1 FHAF Cc1ccc([S@](N)(=O)=NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 25980313 YVWZKYXQNDAUJG-XMMPIXPASA-N 357.357 3.947 0 1 FHAF CN(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(O)c1 34659390 VARCIQVXDHUYNT-UHFFFAOYSA-N 350.466 3.999 0 1 FHAF C[C@H]1CCN2C(=O)[C@](c3ccccc3)(C34CC5CC(CC(C5)C3)C4)NC2=N1 1911586042 MOBVMPLDZZTZAT-BNTCGKDZSA-N 363.505 3.678 0 1 FHAF CC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1 139826515 KPALJGIMYGHLPU-UHFFFAOYSA-N 359.477 3.865 0 1 FHAF COc1cc2c(cc1OC)C1=NN(C(C)=O)[C@@H](c3ccc(F)cc3)[C@H]1CC2 40584967 WVRMOYARECFOMC-KKSFZXQISA-N 368.408 3.713 0 1 FHAF CC(=O)OC[C@H]1[C@@H]2[C@@H]3CC[C@H]4[C@@](C)(CO)CCC[C@]4(C)[C@H]3CC(=O)[C@]12C 40411815 YEMYUZHZOZMLBB-IYTRMAQQSA-N 362.510 3.606 0 1 FHAF C=Cc1ccc(S(=O)(=O)NCCNc2cccc3ccccc23)cc1 220461094 NJIXORIDWACXCN-UHFFFAOYSA-N 352.459 3.873 0 1 FHAF Nc1cnc(-c2ccc(-c3ccccc3Oc3nccc(N)n3)cc2F)cn1 224755524 OCOXJDYIYGLPLA-UHFFFAOYSA-N 374.379 3.696 0 1 FHAF COc1ccc([C@@H]2SCC(=O)N2c2ccc3c(C)cc(=O)[nH]c3c2)cc1 96905461 UPPZNVKCZYIPRQ-FQEVSTJZSA-N 366.442 3.624 0 1 FHAF CC(=O)O[C@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(O)CO 238779012 HGNTXTLFFUWNHN-BJWFUVPOSA-N 364.526 3.684 0 1 FHAF C[C@@]1(c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)CCSC(N)=N1 96174374 YBMZEZJMALJSSB-IBGZPJMESA-N 373.453 3.510 0 1 FHAF NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)cn12 95595165 SRDYDVVWXYXSER-UHFFFAOYSA-N 363.851 3.517 0 1 FHAF O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)Nc1cccnc1 96271356 SUTPKGOERYDKLQ-UHFFFAOYSA-N 353.403 3.558 0 1 FHAF CC(C)n1[nH]c(=Nc2ccc(C(F)(F)F)cn2)cc1C1CCNCC1 473154804 LWUXDDYFWFDWIV-UHFFFAOYSA-N 353.392 3.510 0 1 FHAF O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1ccccn1 299820859 HKIOJYJKRFXZET-UHFFFAOYSA-N 366.424 3.794 0 1 FHAF COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 299819474 AIFCUVNKIXTICB-UXJQAVHOSA-N 359.510 3.709 0 1 FHAF CCc1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1CC 586878209 AJQVIAYBDHVELP-UHFFFAOYSA-N 357.479 3.605 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Cl)(c1nccn1C)O2 587376627 DRKMZFMHQHUERS-HXUWFJFHSA-N 367.836 3.873 0 1 FHAF CCC[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798485 ONLZWGMAFYDRDT-QFYYESIMSA-N 358.251 3.681 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1O 587573448 WPEIZFIVKKGANN-XLIONFOSSA-N 352.317 3.940 0 1 FHAF Cc1ccn(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587764836 RLLFZVWKEOURDI-BZNIZROVSA-N 352.251 3.543 0 1 FHAF O=C1c2ccccc2-c2cc([C@@]3(Cl)CCOC3=O)nc3ccc(O)c1c23 586985425 GZCCRMHKGHSMAN-FQEVSTJZSA-N 365.772 3.533 0 1 FHAF O=Cc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614657 UDOSGBUAILVIQZ-YJBOKZPZSA-N 352.367 3.969 0 1 FHAF Cc1ccc([C@]2(c3ccccc3)NCCc3ccc(C(=O)N(C)C)cc32)cn1 962922689 GLDMUHDRTPLIPK-DEOSSOPVSA-N 371.484 3.529 0 1 FHAF CN1C(=O)C[C@H]2CN[C@@H](c3cccc(-c4ccncc4)c3)c3cccc1c32 963028957 PKEJWOVHUDOZGV-MBSDFSHPSA-N 355.441 3.891 0 1 FHAF O=C(c1csc(-c2cccc(Cl)c2Cl)n1)N1CCCOCC1 1772638329 PKMMKCVGESYJCN-UHFFFAOYSA-N 357.262 3.979 0 1 FHAF COC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)[C@@H](C)C3=O)cc2)cc1 169720248 CSQQEQOXNNJTCA-ZSEKCTLFSA-N 368.454 3.920 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(OC)c1 169723949 KUCNRBSKLXDTRH-SJLPKXTDSA-N 373.449 3.658 0 1 FHAF CC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccn1 206692987 BDHYVEZSXFRFRV-UHFFFAOYSA-N 351.450 3.808 0 1 FHAF COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)c(OC)c1 225184291 CDPBITIHJGKFQX-UHFFFAOYSA-N 369.465 3.812 0 1 FHAF C[C@H](c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cnn(C)c3)nc21 1857577826 ZPZSPFAZOBJZJU-GFCCVEGCSA-N 373.395 3.523 0 1 FHAF COc1ccc(-c2cc(NC(=O)c3ccc(C)cc3O)cnc2O)cc1 1857636038 KOQIVIPBHZENRO-UHFFFAOYSA-N 350.374 3.729 0 1 FHAF Cc1nnc(SCC(=O)NCc2ccccc2)c2cc3sccc3n12 1857747804 NPNHDTYIJJXGSV-UHFFFAOYSA-N 368.487 3.661 0 1 FHAF CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(F)cc1Cl 775761 SPHAZOVMISHPOH-NSHDSACASA-N 368.836 3.932 0 1 FHAF CCCCN(C)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1-n1cccc1 6940290 GMZSEHDLZCZUEU-UHFFFAOYSA-N 354.429 3.983 0 1 FHAF O[C@H](c1ccc(Cl)cc1)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1 26004823 SWBGCNUQZWWMRM-MSOLQXFVSA-N 363.244 3.811 0 1 FHAF COc1ccc(Cl)cc1-c1cc(C(=O)NCc2ccc(F)cc2)[nH]n1 61927752 QDIHDPSJMKKVAZ-UHFFFAOYSA-N 359.788 3.808 0 3 FHAF COc1cccc(CN2CC[C@@H]3COC(=O)N3c3cc(F)ccc3C2)c1 2356624879 SFDUWZJEXLZKIT-QGZVFWFLSA-N 356.397 3.565 0 1 FHAF C[C@H]1CN(Cc2ccccc2)CCN1CCC[C@H](O)c1ccc(F)cc1 36440819 HAPHCSRSWJQZHP-AVRDEDQJSA-N 356.485 3.846 0 1 FHAF CC(C)CCc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1 66136669 OWHPQPITFYHSBT-UHFFFAOYSA-N 358.225 3.983 0 1 FHAF C[C@@H]1CCCN1c1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1 73298652 FIBCKBJLDCWYKE-MRXNPFEDSA-N 369.513 3.666 0 1 FHAF N[C@@H](CC(=O)NC1(c2ccccc2)CCSCC1)Cc1ccccc1F 40394375 PAPAUOKFOZBNAW-GOSISDBHSA-N 372.509 3.624 0 1 FHAF Cc1cccc(C)c1CNc1cc(N2CCNC2=O)cn2c(C)c(C)nc12 40424681 KOHDMWKBUVOITI-UHFFFAOYSA-N 363.465 3.710 0 1 FHAF COc1ccc(Cc2nnc([C@H](C)n3sc4ccccc4c3=O)o2)cc1 95596819 GPXJAABLYAOJSE-LBPRGKRZSA-N 367.430 3.655 0 1 FHAF CC(C)COC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 68572327 XBSZCEGJOYZQBJ-NTFDOXNWSA-N 350.414 3.794 0 1 FHAF biogenic COc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587126511 YAFQJYMLULEQMI-SDBXPKJASA-N 351.332 3.743 0 1 FHAF Oc1c(Br)ccc2nc([C@H](O)c3ccccc3Cl)[nH]c12 587058501 GWOCRKLCEXSRFH-GFCCVEGCSA-N 353.603 3.766 0 1 FHAF CCCc1[nH]c2ccc(S(C)(=O)=O)cc2c1NC(=O)OC(C)(C)C 587650686 RCDZSIOXSZKEKY-UHFFFAOYSA-N 352.456 3.871 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(Oc4ncccn4)c1)[C@@H](C2)C3=O 587436967 VDOXGVWDSVLFML-OXJNMPFZSA-N 360.369 3.766 0 1 FHAF Clc1cc(I)cc(-c2nc3cccnc3[nH]2)c1 587185194 ZCXDANJOPMTGEN-UHFFFAOYSA-N 355.566 3.883 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn3ccnc23)N1 587774331 MMTJSTYXBKLAGN-QLJPJBMISA-N 360.230 3.860 0 1 FHAF Oc1nc2cc3[nH]c(-c4n[nH]c5cc(OC(F)(F)F)ccc45)nc3cc2[nH]1 587127035 KZRLRUFBDGCRJB-UHFFFAOYSA-N 374.282 3.587 0 1 FHAF C[C@]1(c2cc(O)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580587 SHZHQTQIJNDAJU-WIYYLYMNSA-N 363.369 3.557 0 1 FHAF O=C(CCCCCO)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656552 MYGAIVUOVMDTEM-UHFFFAOYSA-N 372.371 3.535 0 1 FHAF Cc1noc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587207 MUZGCDXGGRPEOS-FXAWDEMLSA-N 351.358 3.874 0 1 FHAF Cn1cnc(Br)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497120 KHOOMLGGGJTEAX-CQSZACIVSA-N 361.239 3.768 0 1 FHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCCO3 587114055 QNUITYZWFKWVDY-LBPRGKRZSA-N 363.339 3.595 0 1 FHAF O=C1c2ccccc2C(=O)N1CCc1nc(-c2cc(F)ccc2F)cs1 587921734 VSCQQCKKBHQZBT-UHFFFAOYSA-N 370.380 3.927 0 1 FHAF COc1cc2c3c(c1)O[C@H](Cc1cccc(Br)c1)[C@@H](C2)C3=O 587420499 XQCARDRKWZXFJH-HUUCEWRRSA-N 359.219 3.816 0 1 FHAF COc1ccc(-c2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)no2)cc1 587394956 LWEAXMHVWCDFHB-IBGZPJMESA-N 350.374 3.947 0 1 FHAF Cc1cccc(NC(=O)Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1C 587238497 ALNOYOBHHGWHRT-UHFFFAOYSA-N 359.332 3.682 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3cnn(C)c3)s1)CC2=O 587496149 RXGPQCURCLTHRL-MRXNPFEDSA-N 369.446 3.908 0 1 FHAF O=C(/C=C\c1nc2cc(Br)cnc2[nH]1)Nc1ccc(F)cc1 587167393 SFQCPUAAGUUWMT-WAYWQWQTSA-N 361.174 3.511 0 1 FHAF N[C@H](Cc1nc2ccc(F)c(F)c2[nH]1)c1ccc(Br)cc1F 587144307 LKJHLKPYBANPSS-LLVKDONJSA-N 370.172 3.985 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)C(C)(C)C(=O)N4)[C@@H](C2)C3=O 587440122 OKNHIIGULJEJOA-NYHFZMIOSA-N 363.413 3.588 0 1 FHAF Cc1cc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1C 587201970 DSASDYQXALJWRS-QGZVFWFLSA-N 367.405 3.622 0 1 FHAF Cc1cccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c12 587259059 DCKQRDLHCQLYQC-INIZCTEOSA-N 352.438 3.578 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1ccc2c(c1)cc(O)n2C 963632045 DYUJOIRHSGETKW-XMHCIUCPSA-N 366.461 3.699 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 962956915 ZBGTWFQYFAFOJZ-PSLXWICFSA-N 373.456 3.754 0 1 FHAF CN1CCc2cnn(C)c2[C@]1(C)c1cc(Cl)c(Br)cc1F 963956343 WYKGDDOZSLJBCV-HNNXBMFYSA-N 372.669 3.727 0 1 FHAF CN1CCc2cnn(C)c2[C@H]1c1ccc(COc2ccc(Cl)cc2)o1 963956106 UXDVBFNDUMXFDP-LJQANCHMSA-N 357.841 3.823 0 1 FHAF COCCCN1CCc2ccc(OC)cc2[C@@H]1c1c(N)cc(F)cc1F 961319273 HGOJGKZEBAEDCK-HXUWFJFHSA-N 362.420 3.540 0 1 FHAF Cc1cc(F)ccc1NC[C@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 142170391 OMCSKQTWNQXPRF-FUHWJXTLSA-N 362.470 3.633 0 1 FHAF C[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 14967368 SPBFNRFRJLBCIQ-SSDOTTSWSA-N 366.261 3.697 0 1 FHAF CCCC[C@@H]1CN=C(S)N1CCCc1cc(OC)c(OC)c(OC)c1 15952977 AFTUMWIRLGSAFU-OAHLLOKOSA-N 366.527 3.805 0 3 FHAF O=C(Cc1ccc(Cl)cc1)NCCC(=O)N[C@@H]1CCCc2ccccc21 169303629 IYQQJTVSFBQXMJ-LJQANCHMSA-N 370.880 3.583 0 1 FHAF COC(=O)c1c(C(=O)OC)c(S)c2sc(=S)sc2c1S 169719725 CYZUAILURILEJK-UHFFFAOYSA-N 364.516 3.843 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1ccc(F)cc1F 169723606 ANVDFHUXDDOQOT-WBVHZDCISA-N 365.376 3.539 0 1 FHAF CCC[C@H](O)CN1CCC(=O)N(Cc2ccccc2)Cc2ccccc21 205140533 PWUOZKPIEROBQK-FQEVSTJZSA-N 352.478 3.587 0 1 FHAF CC(=O)Nc1ccc2nc(O)n([C@H]3CC[C@H](C(C)(C)C)CC3)c(=O)c2c1 1857582783 AXSBQKZHWTZEEN-CTYIDZIISA-N 357.454 3.838 0 1 FHAF C[C@H](N(C)c1nc(-c2ccncc2F)nc2cnccc12)C(F)(F)F 1857605749 NWTRZYRGCGNAAN-VIFPVBQESA-N 351.307 3.613 0 1 FHAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cn[nH]c3)c12 1857639889 VCMBUFCSPMAFGQ-UHFFFAOYSA-N 360.377 3.782 0 1 FHAF COCCN(C(=O)c1ccccc1)[C@@H]1CCC(=O)c2[nH]c3ccccc3c21 1645612 JCHLODAJDLVHRV-GOSISDBHSA-N 362.429 3.974 0 1 FHAF CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[C@H](c2ccc(O)cc2)CC1 101098946 ATVUKKUJMJBVML-DWLFOUALSA-N 366.505 3.708 0 1 FHAF COP(=O)(OC)[C@H](C)OC(=O)COc1cccc(Cl)c1Cl 103222861 NIWPEXFGHCNURT-MRVPVSSYSA-N 357.126 3.747 0 1 FHAF CCOC(=O)c1s/c(=N\c2ccc(OC)cc2)n(-c2ccccc2)c1N 103198343 BOIUGPOIZVDSIH-VZCXRCSSSA-N 369.446 3.539 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2C/C=C/CF 101358267 LMVDJMCDHZLBFE-QLRGPRRLSA-N 351.849 3.975 0 1 FHAF O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Nc2ccncn2)cc1 28953152 UJFGQJKBVLQBMU-UHFFFAOYSA-N 374.429 3.991 0 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366.236 3.577 0 1 FHAF CC[C@@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342285 MOWNALRDKUZQCV-FPOVZHCZSA-N 366.392 3.929 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)cn2)N1 587706654 RMZZSWCWDFIUOA-NXSYQRQQSA-N 356.626 3.655 0 1 FHAF CCOC(=O)[C@H]1CC(C)(C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441260 JPASEQJUEHTONQ-VTJXTGGHSA-N 358.434 3.571 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN3CCC[C@H]32)N1 587793631 RROSMFXQLZOOPB-ZTFRIQLXSA-N 353.279 3.576 0 1 FHAF COc1cccc(-n2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 587390859 JMXNLJXCJNRVST-OAQYLSRUSA-N 363.417 3.652 0 1 FHAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4c(N)cccc41)[C@@H](C2)C3=O 587434677 YGSPIFTUGVDNBE-SBUREZEXSA-N 355.393 3.949 0 1 FHAF COC(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 587134435 LNDPVVHONZURLL-DJWKRKHSSA-N 369.249 3.610 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)OC)c1C)CC2=O 587487388 WWUWIIHOETVFEL-NRFANRHFSA-N 371.433 3.957 0 1 FHAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(Cl)cnc3[nH]2)c[nH]1 587060871 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COCC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 11817069 NHEFCCHRBPBFQY-QGZVFWFLSA-N 353.418 3.547 0 3 FHAF COc1cc(CC[C@H](CC(=O)CCc2ccc(O)cc2)OC)ccc1O 13341084 DOJDRAWSRCBQPL-LJQANCHMSA-N 358.434 3.646 0 1 FHAF biogenic,in-vitro O=C(O)[C@@H]1CCCN(CCOCC=C(c2ccccc2)c2ccccc2)C1 13801368 BGOXUMNBFGDZGT-OAQYLSRUSA-N 365.473 3.932 0 1 FHAF C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 18283742 GGJRFAZRJGVNHP-BAAXWUSASA-N 367.917 3.802 0 1 FHAF C[Si](C)(C)c1onc(-c2ccccc2)c1-c1ccc(S(C)(=O)=O)cc1 1857770415 UQOOVYWORJNUMJ-UHFFFAOYSA-N 371.534 3.957 0 1 FHAF CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 11592661 DBEPLOCGEIEOCV-SPOFZMPASA-N 372.553 3.815 0 1 FHAF COc1c(Cl)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@@H]1C=CO[C@H]1O4 13374535 RNQJRTAELVXSOU-VIIUKITBSA-N 358.733 3.660 0 1 FHAF biogenic CCc1noc(CCNC2CCN(c3cccc(-c4ccco4)c3)CC2)n1 23338018 BSTAOZIIBBSCMI-UHFFFAOYSA-N 366.465 3.693 0 1 FHAF CCCCC[C@H](O)/C=C/[C@H]1O[C@@H]2C[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 27706914 DSNBHJFQCNUKMA-YDQDXGRRSA-N 352.471 3.815 0 1 FHAF CN1C[C@H](CC(=O)NC2CCCCC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 27722777 RACITKXMCZDWKO-NYSBEXSLSA-N 365.521 3.967 0 1 FHAF O=C(OCCCF)[C@@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@H]1N2 28373277 GBXCFQBRUJWAGV-ZJIFWQFVSA-N 370.262 3.576 0 1 FHAF COc1ccc(CN2C[C@H]3CC[C@@H](OC)[C@@H]2CN3Cc2ccccc2)cc1 28825444 POPWLHRAAOBVED-AKIFATBCSA-N 366.505 3.559 0 1 FHAF CCCNCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 45351691 LZMKMPQKXWTPGP-UHFFFAOYSA-N 353.418 3.934 0 1 FHAF COc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4[nH]3)cc2)cc1OC 45484424 MCGTZIBIKURRJB-UHFFFAOYSA-N 374.400 3.894 0 1 FHAF Cc1ccc(CN2CCC(CN(C)Cc3nc4ccc(F)cc4[nH]3)CC2)o1 46184339 KFCDKTHNTZXOIZ-UHFFFAOYSA-N 370.472 3.947 0 1 FHAF COc1ccc(-c2[nH]nc(O)c2-c2cc(OC)c(OC)c(OC)c2)cc1F 49070091 VOTLNKNOXFPOAW-UHFFFAOYSA-N 374.368 3.623 0 1 FHAF Cc1c(O)ccc2cc(-n3cc(-c4c[nH]c5ccccc45)nn3)c(=O)oc12 53296435 KJOGJLZGTYBUCS-UHFFFAOYSA-N 358.357 3.536 0 1 FHAF COc1cc2nc(N3CCC(C)CC3)nc(NCC(C)C)c2cc1OC 82127394 AYXCDLUALYDDAB-UHFFFAOYSA-N 358.486 3.951 0 1 FHAF COc1cc(CNc2cc(-c3ccccc3F)ncn2)cc(OC)c1OC 82162174 ODTUIHZJMGIDBF-UHFFFAOYSA-N 369.396 3.921 0 1 FHAF Cn1cc(-c2ccc(CN3C(=O)CSc4ccccc43)c(F)c2)cn1 95593808 ZVMLRXZTDJMNBB-UHFFFAOYSA-N 353.422 3.865 0 1 FHAF CCOc1cc(O)cc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)c1 96913341 LSYNBLMQZCBGPD-UHFFFAOYSA-N 350.418 3.900 0 1 FHAF CCCSc1nc(C)ccc1C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101550167 UTOVQHGEYUJTPN-AXXLOQQUSA-N 360.523 3.562 0 1 FHAF CC(=O)c1ccc(NC(=O)c2cnn3c2NC(=C2CC2)C=C3C(F)F)cc1 102901941 MRZWTTHYDRPLGG-UHFFFAOYSA-N 370.359 3.917 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1C 169723933 BVIZLNPECFEXCN-SJLPKXTDSA-N 357.450 3.958 0 1 FHAF CC[C@@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)[C@@H](C)O 204413372 OLJXCSWLXLONEA-ZWNOBZJWSA-N 357.351 3.551 0 1 FHAF O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1CCOc2ncsc21 220850899 WTFZHHGXFICVFO-LLVKDONJSA-N 357.262 3.675 0 1 FHAF C/C=C(/C)C(=O)O[C@H](COC(C)=O)COC(=O)CCCCCCC(C)C 238745868 FOAWEIORASVSBJ-YWXGMFSMSA-N 370.486 3.967 0 1 FHAF Cc1c(-c2nc3c(F)cc(F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029321 MHHYKBNPCFCOAH-UHFFFAOYSA-N 358.373 3.991 0 1 FHAF Oc1nc(S)nc2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 587048039 PIMZMXOKZZFGDT-NTSWFWBYSA-N 353.234 3.925 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](Cc1c(Cl)nc(C)nc1Cl)O2 587378131 AEBKBEYLWXEOBF-SECBINFHSA-N 352.221 3.559 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3occ(C(=O)O)c31)O2 587413072 POWVSOWSPSQOHN-FQEVSTJZSA-N 355.390 3.702 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(-c3cnccn3)nc1C)O2 587415197 YIFVCJRYLVIVDR-IBGZPJMESA-N 366.446 3.680 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(Cc4cccc(Br)c4C1)[C@@H](C2)C3=O 587419005 VYDNQQFELSDPHG-IFXJQAMLSA-N 371.230 3.743 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(C(OC)OC)c1F)[C@@H](C2)C3=O 587426154 LVFDUIRXTOGOKF-IFXJQAMLSA-N 358.365 3.614 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)cc1)CC2=O 587475896 QRHMMWBJDGVSPG-OAQYLSRUSA-N 367.445 3.888 0 1 FHAF CC1(C)Cc2nc(=N)[nH]cc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587508801 FKDHTEDTOKXXLI-JOCHJYFZSA-N 363.461 3.601 0 1 FHAF N=c1[nH]c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 587575665 KDFXYMNCSZSQRH-UZLBHIALSA-N 374.352 3.649 0 1 FHAF COCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587618544 UPBDYNVJMAVVTM-PXNSSMCTSA-N 352.342 3.835 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(O)ccc2N)N1 587746913 IWOLKMSTGZHZKH-XLFHBGCDSA-N 365.246 3.674 0 1 FHAF CCc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1CC 587763688 LJFRDQSAOSFFHX-BMLIUANNSA-N 366.278 3.991 0 1 FHAF COC(C[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC 587797876 YDSJSOVIJKHNOG-APPDUMDISA-N 374.294 3.983 0 1 FHAF CCOC(=O)C(C)(C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587799237 RIMQQBUTWZXWKA-QGHHPUGFSA-N 372.278 3.927 0 1 FHAF COC(=O)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587808128 NEPLHNXTPFGQLJ-YOIRWDDOSA-N 370.262 3.681 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc([C@@H](C)O)s2)N1 587852774 IRXGGRCAYTXERO-WFEFGEHDSA-N 371.275 3.722 0 1 FHAF COc1cccc2c([C@@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)cccc12 963025337 NYIGHUWHYQXQDT-PSLXWICFSA-N 358.441 3.991 0 1 FHAF O=C1C=C[C@@]2(C[C@H](OC(=O)/C=C/c3ccccc3)[C@H](c3ccccc3)O2)O1 1772619967 SGSAJTBMFFIZRD-ISIUUSGDSA-N 362.381 3.583 0 1 FHAF COc1c(C)cccc1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772636125 PYZVIINPOKEBHH-KRWDZBQOSA-N 352.390 3.969 0 1 FHAF COC(=O)C1=CCCC(C)=C[C@H]2OC(=O)C(C)=C2C[C@H](O)C(C)=CCC1 2356429310 QXZPKAWLIRITRB-RBUKOAKNSA-N 360.450 3.545 0 1 FHAF COc1c(O)cc2c(c1OC)-c1c(O)c(C)cc3c1[C@@H](CC2)N(C)CC3 2356596260 DDXHVVWNQKETMA-CQSZACIVSA-N 355.434 3.566 0 1 FHAF COC(=O)C1=CCC[C@H]([C@@H]2C[C@H](c3ccoc3)OC2=O)[C@@]1(C)CCC(C)=O 2356715831 SUFYVCNRYHWBMC-LTVCHDBBSA-N 374.433 3.769 0 1 FHAF CC(=CCCc1ccoc1)C[C@H](O)C[C@@H](C)CCCC1=C[C@H](O)OC1=O 2356737599 HKZBWXTURDYJCE-FFZOFVMBSA-N 362.466 3.908 0 1 FHAF CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1cccc(O)c1 2356329414 DPEDTDJRBRBGNW-NNMXDRDESA-N 353.462 3.942 0 1 FHAF 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0 1 FHAF COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@@H](CC3CCCCC3)CN1CC2 71331503 CRICLBURZAGDER-DFQSSKMNSA-N 359.510 3.954 0 1 FHAF Cc1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccc(F)cc2)o1 82164422 CPPFVIXOSXIYJM-HNNXBMFYSA-N 354.385 3.837 0 1 FHAF C[C@]1(c2ccccc2)CCCN(C(=O)NCCc2ccc3nc[nH]c3c2)C1 49014061 GMTQAOXNCHJFPF-QFIPXVFZSA-N 362.477 3.869 0 1 FHAF O=C(O)c1cc(-c2ccc3[nH]ccc3c2)nc2c1cnn2Cc1ccncc1 95581947 JGQGEKBAZNVLEI-UHFFFAOYSA-N 369.384 3.721 0 1 FHAF C[C@H]([C@@H]1CC[C@H]2[C@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C)N(C)C 255261601 QTNGLMWAVBOBLJ-SZQQTDIBSA-N 363.586 3.927 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1c[nH]c3ccccc13)CC2=O 587480618 DQXKEJWLPPCVFP-NRFANRHFSA-N 365.385 3.771 0 1 FHAF Cc1nn(C)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587759132 SNJGVWJSYVKMOO-VPTHRUTESA-N 352.251 3.562 0 1 FHAF CC(C)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587582104 NYZHYIJVCQYYSM-RXVVDRJESA-N 364.401 3.948 0 1 FHAF N=c1nc(-c2ccccc2Cl)c(-c2nc3c(Cl)ccnc3[nH]2)c[nH]1 587060658 LKZRZBQCLHJJDG-UHFFFAOYSA-N 357.204 3.801 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4cc(C(=O)O)ccc14)[C@@H](C2)C3=O 587438975 SHENMCNVELEPIS-LHSJRXKWSA-N 363.369 3.538 0 1 FHAF Cc1ncsc1CCc1nc2ccc(I)cc2[nH]1 587027352 CGWUMIAXROBGFO-UHFFFAOYSA-N 369.231 3.718 0 1 FHAF Cc1nc2nc(-c3oc4c(c3C)[C@H](O)CCC4)[nH]c2cc1Br 586905565 UFKYTWSHWPTASA-LLVKDONJSA-N 362.227 3.967 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CO)cc2)N1 587825143 GCKBEAFMFRMTGK-DYZYQPBXSA-N 350.231 3.704 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005312 SIVZXOWCXBMBRW-LBPRGKRZSA-N 366.606 3.765 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587792293 BIRPGKSGJCOGMG-YOIRWDDOSA-N 370.262 3.681 0 1 FHAF C[C@@]1(c2cc(C(=O)O)co2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616696 LZYGXUMASXNVEH-UZLBHIALSA-N 366.325 3.560 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C1)O2 587401629 URPIBXBLIZCUFE-CQURBHOASA-N 372.465 3.701 0 1 FHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cncc(Br)c3[nH]2)cc1 587938127 STCYXUAOXLRWBF-PSLIRLAXSA-N 362.227 3.566 0 1 FHAF Cc1cc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)o1 962966338 LYPGXEFSJFJTTG-CXAGYDPISA-N 355.768 3.690 0 1 FHAF Cc1cccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c12 13447788 NQZMHNYMTKLVTO-UHFFFAOYSA-N 369.424 3.546 0 1 FHAF COc1cc2nc3occc3c(OC)c2cc1OC[C@@H](O)C(C)(C)Cl 15222534 MBWWQHXJEXIFKG-OAHLLOKOSA-N 365.813 3.755 0 1 FHAF biogenic,in-vitro O=c1n(CCC2CCCCC2)c2cccnc2n1-c1ccc2c(c1)OCO2 169316553 VZWJPQSOTYGDLJ-UHFFFAOYSA-N 365.433 3.886 0 1 FHAF O=C1c2ccc(OCc3cccc(F)c3)nc2CCN1c1ccc(F)cn1 165949605 DJBWIYZENFALFQ-UHFFFAOYSA-N 367.355 3.537 0 1 FHAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC)C(=O)N32)o1 1857649068 VKKJMPZSQBNIOL-QFBILLFUSA-N 363.417 3.622 0 1 FHAF CCCCN=c1[nH]nc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1C(C)C 1857752988 BSNGOHUZYFRTAC-UHFFFAOYSA-N 370.541 3.788 0 1 FHAF COc1nn(-c2ccc(Oc3ccccc3)cc2C(F)(F)F)c(=O)o1 1857754856 NPRKNQXQENXHBN-UHFFFAOYSA-N 352.268 3.645 0 1 FHAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cc(F)cc(F)c1 2356320184 LKDYIWDJQMVDTK-FCEWJHQRSA-N 351.437 3.818 0 1 FHAF CNc1nc(NCCCN(C)C)c2sc(-c3ccc(F)cc3)cc2n1 103263081 SCWKYIDOZJBMAH-UHFFFAOYSA-N 359.474 3.903 0 1 FHAF Fc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4CC3CCOCC3)cc2)c1 100094515 KNQNXQNRPIKIRX-JKHIJQBDSA-N 366.480 3.659 0 1 FHAF CCOC1(OCC)[C@H]2c3cc(OC)ccc3[C@H]([n+]3ccccc32)C1(C)C 27517568 AIUHBWFVRAAPLW-PMACEKPBSA-N 354.470 3.827 0 1 FHAF Cc1noc(/C=C/c2ccccc2OC[C@H](O)CNC(C)(C)C)c1Cl 29231945 HAZKYCLAXFAVDK-BOLDSZDNSA-N 364.873 3.935 0 1 FHAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(F)c1)c1ccccc1 103293900 GLGYXQKGVNWQRZ-QGZVFWFLSA-N 368.297 3.932 0 1 FHAF Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1F 29282960 NOUFUXFCOQATJX-UHFFFAOYSA-N 370.409 3.518 0 1 FHAF COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1C(N)=O 28710732 IXEXLGVGEXXHQR-UHFFFAOYSA-N 359.385 3.770 0 1 FHAF CC(=O)O[C@@H]1C[C@]2(O)C(C(=O)O)=C(C)CC[C@@H]2[C@]2(C)CCCC(C)(C)[C@H]12 2356506871 QUZURXHTHRMFJE-NFWXSOHESA-N 364.482 3.697 0 1 FHAF COC(=O)[C@]1(C)CCC[C@]23C(=O)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@@H]21)[C@H]43 2356614490 WWIJLRGEJWUHJF-ZDEVBOLGSA-N 358.434 3.987 0 1 FHAF CCOCCN(CC[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)NCCCc1ccncc1 64633953 KRSDJLKUOZHTKR-HBMCJLEFSA-N 373.541 3.889 0 1 FHAF CN(C(=O)c1ccc(Br)cc1)[C@H]1CCCC[C@@]12CCCN2C 28257000 WSLXSNJSFVVKJU-FUHWJXTLSA-N 365.315 3.928 0 1 FHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@H](CC5=CN[C@H](N)C=C5)C4)(C[C@H](N)[C@H]31)O2 2356830112 JEKGBBHCTUXREV-XDSCWSCUSA-N 371.569 3.576 0 1 FHAF CC(C)Nc1cc(-c2[nH]c([S@@](C)=O)nc2-c2ccc(F)cc2)ccn1 71318272 FPBUKJCQUGQXRA-VWLOTQADSA-N 358.442 3.836 0 1 FHAF CNC(=O)Nc1snc(S[C@H](C)c2ccc(Cl)cc2)c1C(N)=O 36348941 ZZRZYNUVVRVWRW-SSDOTTSWSA-N 370.887 3.500 0 1 FHAF Cc1c(C(=O)c2ccccc2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 139315564 SKYDVOQSYPKUGS-UHFFFAOYSA-N 350.181 3.639 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1/C=C/c1ccccc1 136518706 UJPAOKAXEKZRNI-CONOYDDESA-N 355.434 3.807 0 1 FHAF COc1ccc(-c2nnc(/C=C/c3ccc4c(c3)OCO4)o2)cc1OC 96284413 FYVFDNAHZCLCNM-XBXARRHUSA-N 352.346 3.653 0 1 FHAF Cc1cccc(C)c1NC(=O)[C@]1(C)CCC(=O)N1CCOc1ccccc1 95605676 PBJCZLLXIOZESK-QFIPXVFZSA-N 366.461 3.702 0 3 FHAF COc1ccc(Nc2nc(-c3cccc(N)c3)cn3ccnc23)cc1OC 147420916 YWXFWBFYSNQVQH-UHFFFAOYSA-N 361.405 3.739 0 1 FHAF COc1ccc(-n2ncc3c(N[C@H]4C[C@@H]4c4ccccc4)ncnc32)cc1 621477893 WYILIZZNKYVFSM-MJGOQNOKSA-N 357.417 3.792 0 1 FHAF COc1cc(OC)c2c(=O)c(OC)c(-c3c(OC)cccc3OC)oc2c1 59762595 YQBOTPMLBHBJTK-UHFFFAOYSA-N 372.373 3.503 0 1 FHAF biogenic O=C1c2ccc(C(F)(F)F)cc2O[C@H]2c3[nH]c4ccc(O)cc4c3CCN12 474609653 SASPZHJZCPMPKL-SFHVURJKSA-N 374.318 3.982 0 1 FHAF CCC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810077 SWXVQXWUYXTNOC-MGPLVRAMSA-N 358.251 3.681 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(Cc3ccccc3)C(C)(C)C1)O2 587393236 ZYQDQEYAXYDZBG-JOCHJYFZSA-N 350.462 3.966 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1ncccc12 587585494 DZMUMALSTKIJPT-SIKLNZKXSA-N 359.381 3.981 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(C=O)c1)[C@@H](C2)C3=O 587419275 UFCUXABTFLWGBU-KBXCAEBGSA-N 373.202 3.759 0 1 FHAF CN1CCN(c2ccc3nc(CCCCc4cccc(O)c4)[nH]c3c2)CC1 586895915 DHLHYMJHFJMTRS-UHFFFAOYSA-N 364.493 3.586 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1O 587606742 FUSDTSBVCKPCGW-PXNSSMCTSA-N 350.326 3.506 0 1 FHAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 587065888 BYOFGLBWODARAY-UHFFFAOYSA-N 368.828 3.512 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587250211 YCOHCHCDDIJSBH-UHFFFAOYSA-N 363.442 3.883 0 1 FHAF Nc1ccc(C(=O)CCc2nc3cc(Br)c(F)cc3[nH]2)cc1 587251196 BMYMQUBSVAKHBE-UHFFFAOYSA-N 362.202 3.862 0 1 FHAF C[C@@]1(CCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348551 DIHXWHPEJSCCBE-ICSRJNTNSA-N 358.365 3.904 0 1 FHAF Fc1nc(Cl)ccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587177221 CYUGMVCFEMIKFA-UHFFFAOYSA-N 352.078 3.831 0 1 FHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cccc(OC(F)(F)F)c2[nH]1 587092925 BQCJVXZNUHZAQC-ZCFIWIBFSA-N 355.238 3.591 0 1 FHAF O=C(NCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1cc2c(s1)CCC2 587034694 JUYWJXGVJJRHPB-UHFFFAOYSA-N 369.343 3.600 0 1 FHAF OCCc1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587135758 CYMOCTMKCFFIFK-UHFFFAOYSA-N 353.166 3.805 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)NC3CC3)cc1)CC2=O 587471575 UCAQDVQQJVKVLD-FQEVSTJZSA-N 365.429 3.943 0 1 FHAF Cc1[nH]nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587693852 FVBPOQSDWRFKOJ-IYQDAUBNSA-N 358.642 3.897 0 1 FHAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(OCCN(C)C)ccc3[nH]2)n1 587080865 UBZHIFOPZYZAHS-LBPRGKRZSA-N 361.877 3.991 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(CO)c2)N1 587826689 LIVUGKXSRWPZBM-ZMZPIMSZSA-N 364.258 3.878 0 1 FHAF CC(C)c1ccccc1OCC(=O)n1ncc2ccc(Cl)cc2c1=O 587652653 XQGLRPBTMGFUNF-UHFFFAOYSA-N 356.809 3.893 0 1 FHAF CCOC(=O)[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798614 PNJFEXHPDRFYLF-HWPZZCPQSA-N 358.251 3.537 0 1 FHAF COc1ccccc1CNC(=O)[C@@H](C)n1cccc1C(=O)c1ccccc1 5143633 CROMAFHCQVOYNP-MRXNPFEDSA-N 362.429 3.605 0 3 FHAF Cn1cc(C2=C(c3ccc4ccccc4c3)C(=O)NC2=O)c2ccccc21 13447707 URVKCDCCZPNJLS-UHFFFAOYSA-N 352.393 3.899 0 1 FHAF CCCCCC(=O)OC[C@]1(CO)C/C(=C/C=C(C(C)C)C(C)C)C(=O)O1 13805645 LOWPNKDACIRXQY-SYEXPRJDSA-N 366.498 3.953 0 1 FHAF c1ccc(CCN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1 15779158 GPTHNIPEPKHMSI-UHFFFAOYSA-N 374.444 3.550 0 1 FHAF O=c1oc2cc(Br)ccc2n1CN(CC1CCCC1)C1CC1 169341733 BSWGAKYIVXKUPI-UHFFFAOYSA-N 365.271 3.969 0 1 FHAF COc1cc2c(cc1OC)[C@@H](CCc1c[nH]c3ccccc13)N(C=O)CC2 1857546822 PIORUUQSJASDET-HXUWFJFHSA-N 364.445 3.874 0 1 FHAF NCc1c(-c2ccc(Cl)cc2Cl)n(C[SH](=O)=O)c2ccccc12 1857769302 QWZVVSQJZNQLAX-UHFFFAOYSA-N 369.273 3.643 0 1 FHAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCN(CC)CC 4213547 HFRWBUXBAORBRE-RTBURBONSA-N 363.502 3.752 0 1 FHAF O=C(Nc1ccc(Cl)cn1)c1cnn2c1NC(=C1CC1)C=C2C(F)F 102903446 KFBQUEJISGCYFS-UHFFFAOYSA-N 363.755 3.763 0 1 FHAF Cc1c2n(c3ccccc13)CC[C@@H]1[C@@H]2NCCN1CCOc1ccccc1 27311777 SENLLPLKILVHFI-YADHBBJMSA-N 361.489 3.747 0 1 FHAF CN1CCN(c2nc3ccccc3nc2OCc2ccc(Cl)cc2)CC1 29053376 AGPIKWIOEVLNPA-UHFFFAOYSA-N 368.868 3.614 0 1 FHAF CC(=O)OC[C@@H](O)COC(=O)C=C(C)CCC=C(C)CCC=C(C)C 2356522453 HRJDVRFBWBTRAF-LJQANCHMSA-N 352.471 3.873 0 1 FHAF COc1c(C(=O)N(C)c2ccccc2)c(=O)n(C)c2ccc(SC)cc12 27997491 HMFNETDJRQWURI-UHFFFAOYSA-N 368.458 3.546 0 1 FHAF O=C1NC(=O)/C(=C/c2ccc(-c3cc(OC(F)(F)F)ccc3O)o2)S1 35825959 SBGSKEOYYYCTJW-SDQBBNPISA-N 371.292 3.875 0 1 FHAF Cc1ccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 74379130 WGBCYPUACBDYMZ-XJKSGUPXSA-N 358.800 3.663 0 3 FHAF Fc1ccc([C@@H]2NC(N3CCOCC3)=NC3=C2CCc2ccccc23)cc1 45254934 OZNDKOIZAIPFGG-FQEVSTJZSA-N 363.436 3.516 0 1 FHAF CC(C)(C)C1CCC(NC2=N/C(=C\c3c[nH]c4ncccc34)C(=O)N2)CC1 40977448 IVAVSBPJZOIEKP-BOPFTXTBSA-N 365.481 3.584 0 1 FHAF CSCCCNC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)cc1C)C(=O)N2 146678004 ABLAJTWOWSSMFU-WJDWOHSUSA-N 369.490 3.607 0 1 FHAF CC(C)=CCC/C(C)=C\COc1ccc(/C=C2/NC(=O)[C@H](C)NC2=O)cc1 238785857 WJYQOEOGXGQMEU-LNJVKBSFSA-N 368.477 3.734 0 1 FHAF CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3cccs3)C2)O1 96018783 UHSUCZVZTQYYGU-XLIONFOSSA-N 364.555 3.910 0 3 FHAF O=C(O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587607288 HKCSMMQFYUNWNY-YLJYHZDGSA-N 362.337 3.793 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1[nH]cnc1C 587866510 MEJPRAWDTCVCJG-UHFFFAOYSA-N 364.327 3.688 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)c(F)c(F)c3[nH]1)C2 587246876 JIMQVDFQMKUGDE-SFHVURJKSA-N 363.795 3.846 0 1 FHAF CC1=C(c2ccc3nc(/C=C\c4ccc(C)c(F)c4)[nH]c3c2)NNC(=O)C1 587146292 HPEXFOINOPMONI-YVMONPNESA-N 362.408 3.936 0 1 FHAF COC(=O)C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593690 MTGSHDJOXXSRSB-UWJYYQICSA-N 370.401 3.702 0 1 FHAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3ccsc3)[nH]c2c1 587026676 WRLDWUOJCLKYST-VMPITWQZSA-N 361.492 3.825 0 1 FHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(CCO)cc3[nH]2)c1 587242274 RLIKCHAPMPTWEJ-UHFFFAOYSA-N 369.421 3.817 0 1 FHAF N[C@@]1(c2nc3ccc(F)c(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587155233 IUQGGCXHMURBHQ-ABKXIKBNSA-N 364.193 3.945 0 1 FHAF Cc1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cc1Br 587249324 HLZTZLGNWUZZLR-UHFFFAOYSA-N 360.211 3.505 0 1 FHAF COc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587126508 YAFQJYMLULEQMI-OQPBUACISA-N 351.332 3.743 0 1 FHAF COc1cc(O)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587805226 DTQQQFMSRPEBHN-XLFHBGCDSA-N 366.230 3.926 0 1 FHAF C[C@@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571870 RVFFGOMEBWAIAL-XLIONFOSSA-N 351.333 3.803 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1cnn(CC)c1)(C(F)F)CC2=O 587466538 OJZUKQPRPLJXQK-SFHVURJKSA-N 350.365 3.687 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](C(=O)O)CC2)N1 587830005 ZUWNFTNVHUUFEJ-VGTOOOLASA-N 370.262 3.983 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc2oc(C(=O)O)cc2c1 963060611 UHKRWVWOERCYMJ-HXUWFJFHSA-N 374.396 3.923 0 1 FHAF Cc1cc(CNS(=O)(=O)c2ccc(Br)cc2)c(C)s1 1857583607 VYXJUVSSGSUVSE-UHFFFAOYSA-N 360.298 3.606 0 1 FHAF CCN(CC)CCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772597000 XXFAHAHOLJCVCR-UHFFFAOYSA-N 369.417 3.592 0 1 FHAF O=C(NCc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1 13589111 NGMUYVHKTNXDER-UHFFFAOYSA-N 360.457 3.655 0 1 FHAF O=c1c2ccccc2c(-c2ccc(Cl)s2)nn1CCn1ccnc1 13600516 UKMCTRXBXGBLBB-UHFFFAOYSA-N 356.838 3.675 0 1 FHAF Cc1c(C)c2c(c(C)c1N)C[C@@](C)(CN1CCN(c3ccccc3)CC1)O2 13652106 FARNOIANKDYBAV-QHCPKHFHSA-N 365.521 3.710 0 1 FHAF O[C@@H](CCCCCc1ccccc1)[C@@H](O)c1ncc(-c2ccccn2)o1 14980149 XZUPDMGYFHCFFH-AZUAARDMSA-N 352.434 3.934 0 1 FHAF COc1ccc([C@H]2N(C)c3ccccc3C(=O)NN2c2ccccc2)cc1 169304026 DQJIGAKCFBRQPK-QFIPXVFZSA-N 359.429 3.995 0 1 FHAF O=c1c2cccc3c2c(cn1[C@H]1CN2CCC1CC2)[nH]n3Cc1ccccc1 169724407 NJXILISOPRFRLR-NRFANRHFSA-N 372.472 3.599 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccccc2F)nc1N 207724161 TZZBLKWQCQDEOH-UHFFFAOYSA-N 365.334 3.834 0 1 FHAF CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)Nc1cccc(C(C)(F)F)c1 1857565786 XUAVQMWIVICCIW-MRXNPFEDSA-N 357.360 3.776 0 1 FHAF CCN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1 1857618086 YQXATUVEKBYLGN-UHFFFAOYSA-N 370.518 3.637 0 1 FHAF C[Si](C)(C)c1c(-c2ccccc2)noc1-c1ccc(S(C)(=O)=O)cc1 1857654050 QCMWOLKKCYODSC-UHFFFAOYSA-N 371.534 3.957 0 1 FHAF O=C(c1cccc(F)c1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 3955898 WBTSNXWOVFHHFQ-UHFFFAOYSA-N 367.468 3.739 0 1 FHAF CC(=O)N1CCC(N(Cc2ccc(C)o2)C(=O)Nc2ccccc2F)CC1 6877645 XFZFWSSDANZWKQ-UHFFFAOYSA-N 373.428 3.772 0 1 FHAF O=C(CCCC(=O)Oc1ccc(/C=C/[N+](=O)[O-])cc1)Oc1ccccc1 26187223 IGPDFKAYOQKITQ-BUHFOSPRSA-N 355.346 3.615 0 1 FHAF CCCSc1ncccc1C(=O)N(C)[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101539070 MYUWJGFKFGXFOP-ACCPSQPCSA-N 360.523 3.595 0 1 FHAF COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1O 27557058 YZSZRLIFPOCHSK-HXUWFJFHSA-N 359.441 3.528 0 1 FHAF O=C(O[C@H]1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21 28244629 USQJGTQEUASCDF-CAVPUYEOSA-N 358.441 3.657 0 1 FHAF Fc1ccc2[nH]cc(CCN[C@H]3COc4ccc5ncccc5c4C3)c2c1 28821553 RWPZZHXGPZAEAQ-MRXNPFEDSA-N 361.420 3.991 0 1 FHAF COc1ccc([C@](C)(NC(C)=O)c2nc(-c3cccnc3)cs2)cc1 61895894 VDWQBUOQKVFTIA-IBGZPJMESA-N 353.447 3.613 0 3 FHAF Cn1c(=O)c2cc(NC(=O)CC(C)(C)C)ccc2n1-c1ccccc1F 61907636 JPDSAFZSCIUEPK-UHFFFAOYSA-N 355.413 3.843 0 3 FHAF COc1ccc2c3c([nH]c2c1)[C@@H](Cc1ccc(OC)c(OC)c1)NCC3 26661340 JSBVZFZUIHRURA-GOSISDBHSA-N 352.434 3.623 0 1 FHAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@@H](O)COc1ccccc1F 26729880 GXZBPMXLLCKTPO-MRXNPFEDSA-N 356.441 3.658 0 1 FHAF Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCNCC4)n3n2)cc1 72100793 ISLDHPVPSXVESL-UHFFFAOYSA-N 373.435 3.612 0 1 FHAF COc1ccc([C@@H]2C3=C(COC3=O)Nc3ccc4sc(C)nc4c32)cc1 73157635 VQXIYMILYHICOT-INIZCTEOSA-N 364.426 3.982 0 1 FHAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(C3=CC(=O)OC3)=CC[C@@]12O 15048742 YGABECOLNBBTLH-NADKDADMSA-N 372.505 3.524 0 1 FHAF biogenic CC(C)CN[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O 40953785 XGGQFGANUIXDHD-NQBGTIOHSA-N 363.586 3.975 0 1 FHAF COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2ccc(Cl)cc2c1=O 40835653 MJBBVFZZIXYUCD-UHFFFAOYSA-N 351.793 3.763 0 1 FHAF COc1cc(OC)c(/C=C(\Cl)S(=O)(=O)c2ccccc2)c(OC)c1 40936977 LMYWHIXWGFUGRK-GZTJUZNOSA-N 368.838 3.724 0 1 FHAF Cc1ccc(C)c(Cn2c(Sc3ccccc3)c(C)c(=O)[nH]c2=O)c1 84670432 YDEGIVHOSWVIIQ-UHFFFAOYSA-N 352.459 3.661 0 1 FHAF Cc1cc(N2CCOCC2)c2ncc(CSCCc3ccccc3)n2c1 40847607 POMRCIRNXBFYPQ-UHFFFAOYSA-N 367.518 3.955 0 1 FHAF CCN1CCN([C@H](C(=O)NC2CCCCC2)c2cc3ccccc3o2)CC1 199395003 UCMJKGGOHVFABH-NRFANRHFSA-N 369.509 3.560 0 3 FHAF CC(C)(C)n1nc(Oc2cccc(Br)c2)c2c(N)ncnc21 143903603 SKKXMYQLTZKQDB-UHFFFAOYSA-N 362.231 3.718 0 1 FHAF O=C(Nc1cncc(Oc2cncc(F)c2)n1)c1cc(F)cc(Cl)c1 299826541 PSVNOVGDUOMBEB-UHFFFAOYSA-N 362.723 3.848 0 1 FHAF Brc1n[nH]c2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc12 587007237 OUFYECMHAXEDFQ-UHFFFAOYSA-N 357.167 3.597 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)nc1F 587572492 VNGKUHMRCNACAK-CRAIPNDOSA-N 355.296 3.768 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(O)cc1O)O2 587405396 WPSHVWZNPPPJCE-JOCHJYFZSA-N 361.397 3.897 0 1 FHAF COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2c(C(=O)O)cccc12 587639054 ZRCILLQLUKKOOE-LLVKDONJSA-N 362.426 3.641 0 1 FHAF Cc1nn(C)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581424 LFAXACPANDGMHY-NQIIRXRSSA-N 364.401 3.620 0 1 FHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc([C@@H](N)N=O)ccc2[nH]1 587147709 QNHQMVNJVHQRAQ-KRWDZBQOSA-N 368.347 3.632 0 1 FHAF CCOc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587589368 VBNNGODSDADKJB-WIYYLYMNSA-N 363.369 3.889 0 1 FHAF C[C@H]1CCc2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)sc2C1 587654689 YPWWNFRFPWGTPT-JTQLQIEISA-N 358.850 3.925 0 1 FHAF N[C@H](N=O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587133209 MDIAISRPHKTEQB-CQSZACIVSA-N 367.167 3.964 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005625 NKUXFOXSEPDTRX-GFCCVEGCSA-N 366.606 3.765 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCN(C)C)cc1)CC2=O 587467666 GDUAIZYFXZJVDK-NRFANRHFSA-N 369.461 3.992 0 1 FHAF CCOC(=O)Cc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1F 587385588 PCDWEVQNUCOXPH-OAQYLSRUSA-N 371.408 3.703 0 1 FHAF CCn1nc(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587763533 JXCUZKZHDVKOKZ-JDNHERCYSA-N 352.251 3.737 0 1 FHAF CC(C)N(C)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573947 VIDVUIGICFVZEN-RXVVDRJESA-N 355.434 3.843 0 1 FHAF C[C@@]1(CC(=O)NCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512638 NVWNCSMVIUGKBZ-QHCPKHFHSA-N 363.457 3.996 0 1 FHAF COc1ccc(/C=C/Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c(OC)c1 587929776 PZBSLSMKVLVBJZ-ONEGZZNKSA-N 356.353 3.673 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)O)c2ccccc21 587490120 QNUTXVRMSVBUOK-QVKFZJNVSA-N 352.386 3.777 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc(O)c2[nH]1 587002295 YQDCQKSJKRECCP-LBPRGKRZSA-N 371.238 3.755 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN3CCC[C@H]32)N1 587789496 DOKBNRSFMRXVDQ-HYSWKAIVSA-N 353.279 3.576 0 1 FHAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587773726 RSPOZXGDLRVOMA-JDNHERCYSA-N 351.219 3.615 0 1 FHAF O=C(NC[C@H]1CC[C@H](Oc2ccnc3c(F)cccc23)CC1)c1ccno1 1772649849 BRYFIQMLWZDFSY-HDJSIYSDSA-N 369.396 3.730 0 1 FHAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cccc(Br)c12 1772606963 MRUNYBDRMJNCIJ-UHFFFAOYSA-N 363.255 3.573 0 1 FHAF CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H](N)CC(C)C 169339890 YICPFUCSYSAEOE-KHHDVDEJSA-N 358.526 3.597 0 1 FHAF C[C@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)CCSC(N)=N1 169686900 TXVBSFLZVRYNQQ-QGZVFWFLSA-N 360.870 3.654 0 1 FHAF Cc1nn(Cc2ccc(COc3ccccc3)cc2)c(C)c1CC(=O)O 169704034 XWHWMERKJDDQNY-UHFFFAOYSA-N 350.418 3.754 0 1 FHAF Cc1ccccc1/C=C1\CNC[C@H]2C1=NC(=S)N[C@H]2c1ccccc1C 169729978 GTZSGHNRRUJVMX-XPNIGKPZSA-N 361.514 3.977 0 1 FHAF CC(C)C[C@@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)O 206843836 AXQMVFCSBAIKQK-MRXNPFEDSA-N 358.438 3.868 0 1 FHAF NC(=S)c1cccc(-n2cc(CCC(F)F)c3cc(CO)ccc32)c1 1857598459 JBGWCTBHSPXXLB-UHFFFAOYSA-N 360.429 3.955 0 1 FHAF C[C@H]1CCC(=O)N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857754498 FAXGIXNMCAWHNM-BBRMVZONSA-N 372.415 3.692 0 1 FHAF C[C@H](NC(=O)[C@]1(C)CON=C1c1ccc(N(C)C)cc1)c1ccc(F)cc1 769659 OJFAIZGPTNGMIE-LHSJRXKWSA-N 369.440 3.510 0 1 FHAF Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCCC2)c1 3842500 SKYCPIQXNBOUFW-UHFFFAOYSA-N 368.477 3.698 0 1 FHAF CCS[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccccc4)cc3C(=O)N2C1 12604325 XEFIMVCWHURTBU-YJBOKZPZSA-N 352.459 3.642 0 1 FHAF biogenic COc1ccc2c(c1)N(C(=O)OCC(C)C)[C@@H](CSC)C(=S)N2 13474538 NPSANGGZBWKVJC-AWEZNQCLSA-N 354.497 3.779 0 1 FHAF CC(=O)O[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O)C=C1CO 14948692 AOIDBNSVSJUUHH-GIGYVVOSSA-N 362.510 3.770 0 1 FHAF biogenic CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)Oc1ccc(Cl)cc1 84758111 VQDPLYDGFIHUGY-QGZVFWFLSA-N 359.809 3.829 0 1 FHAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@@H]1CCC[C@H](C2)N1 96175216 LPKJVTVKWPHUTQ-KDOFPFPSSA-N 366.486 3.750 0 1 FHAF Fc1cc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)cc(F)c1F 96271420 DBLFETOXPRBFSY-UHFFFAOYSA-N 359.307 3.902 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccccc4)ncc23)ccn1 96273266 XNCYRRXMFCUPKS-UHFFFAOYSA-N 358.405 3.650 0 1 FHAF in-vitro CN(C)C(=O)O[C@@H](c1cnccc1C(F)(F)F)c1cccc2c1OCO2 103189021 OGQJQLHVKOXORV-CQSZACIVSA-N 368.311 3.617 0 1 FHAF COC(=O)c1ccc(-c2ccc(CC(=O)NCc3ccccc3)cc2)cc1 169351988 AANAXRXWCYJINM-UHFFFAOYSA-N 359.425 3.999 0 1 FHAF c1ccc2c(c1)CC[C@@]21C[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 586892379 WWWYSHSWVWPXKS-WMZHIEFXSA-N 359.473 3.767 0 1 FHAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586910672 JCOJSJUFQVXGLL-MFKMUULPSA-N 362.373 3.529 0 1 FHAF Fc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586970015 RTMMVLNNRPJZAA-UHFFFAOYSA-N 370.365 3.773 0 1 FHAF Cc1nccc2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc12 587001985 CVJLYWMIXBYGIQ-SNVBAGLBSA-N 372.222 3.664 0 1 FHAF Cc1cnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 587018058 URQZAPXTRBDLJD-UHFFFAOYSA-N 364.430 3.752 0 1 FHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(F)c(F)cc3[nH]2)C(F)(F)C1 587132052 IALZYJQKQPHTQP-QMMMGPOBSA-N 359.323 3.811 0 1 FHAF CN(C)c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)nc1 587195312 UGSBZYQXYIJDQH-UHFFFAOYSA-N 353.170 3.732 0 1 FHAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)c(Cl)cc2[nH]1 587223176 AGDZMEOWYIMHQX-SNVBAGLBSA-N 364.232 3.953 0 1 FHAF Cc1cc2[nH]c(Cc3ccc(NC(=O)c4cnoc4C)cc3)nc2c(C)n1 587245716 YDPDKXLGQUCZNB-UHFFFAOYSA-N 361.405 3.714 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(cc1OC(F)F)OCO3)O2 587382966 QBBQOIZZSWQYCJ-ZDUSSCGKSA-N 363.316 3.614 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(O)cc21 587404433 QEMRALFQPFLWKG-HSZRJFAPSA-N 371.392 3.736 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2ccccc2[C@@H]1C(=O)OC 587480805 PJTCNVNLKRLFON-KNQAVFIVSA-N 366.413 3.562 0 1 FHAF Cc1c(-c2ccc3c(c2)cc(O)n3C)[nH]c2ccc(S(C)(=O)=O)cc12 587650572 NXMNMMVDJFJZBW-UHFFFAOYSA-N 354.431 3.744 0 1 FHAF COc1ccc(O)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805760 HRDWOYCYDKRABB-HUTHGQBESA-N 366.230 3.926 0 1 FHAF CC(C)c1nn(C)c2c1[C@](c1cc(F)cc(F)c1)(C(F)(F)F)NCC2 962917510 FHJLRDILTSRDOY-MRXNPFEDSA-N 359.342 3.773 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(-c2cccs2)nn1C 963636342 QEIHOTVDBTUPTG-MPBGBICISA-N 369.490 3.789 0 1 FHAF O=C(CN1CCCC1)Nc1ccc(Nc2cc(=O)oc3ccccc23)cc1 1857574972 ATJNRQJXZBHAHR-UHFFFAOYSA-N 363.417 3.571 0 1 FHAF Nc1c(Nc2ccc(F)cc2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 1911576651 WCHYMGQVZRZDGX-UHFFFAOYSA-N 371.343 3.639 0 1 FHAF C[C@H](C(=O)O)[C@]1(CCc2ccoc2)O[C@H](O)[C@H]2C(C)(C)CCC[C@]21C 2356411130 ILDYTTOXFAJMBX-OSXSXUCASA-N 350.455 3.853 0 1 FHAF C[C@H](O)[C@@H]1OC(=O)[C@@H]2[C@@H]([C@H](C)C[C@@H]1C)[C@@H](C)C(=O)[C@H]1C[C@H](C)C[C@H](C)[C@H]12 2356436591 RKGOMGDMTKLFLM-VWMSNXPDSA-N 364.526 3.705 0 1 FHAF O=C(NCC1CC1)c1ccc2c3n(nc2c1)-c1ccc(Cl)cc1CO3 12726913 STFMEKFMLUUNOX-UHFFFAOYSA-N 353.809 3.711 0 3 FHAF NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Cl)cc1Cl 199710933 ABEULOGFUCVLCJ-UHFFFAOYSA-N 374.227 3.901 0 3 FHAF O=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 101540388 PKEODQBLMLQVCV-XHBSWPGZSA-N 357.841 3.752 0 1 FHAF C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27618019 LDXMKHXUECDJIB-MRXNPFEDSA-N 366.461 3.795 0 1 FHAF COc1ccc(-c2noc(C(=O)N[C@H](C)c3ccccc3)c2[C@@H](C)O)cc1 2356293746 KAFBVLXWVJXESH-ZIAGYGMSSA-N 366.417 3.895 0 1 FHAF CC(C)(C)NC[C@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 29551352 WANOPVSNXUMHSM-INIZCTEOSA-N 367.445 3.588 0 1 FHAF Cc1cc2nc(N3CCN(c4ncccc4Cl)C[C@H]3C)[nH]c2cc1C 28351701 RYPYYHQRNAEOIS-CQSZACIVSA-N 355.873 3.943 0 1 FHAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccncc1 100705007 BXUNIGFJHVDMHI-ZDUSSCGKSA-N 354.435 3.903 0 1 FHAF COc1cc(C(=O)c2[nH]c3ccc(Cl)cc3c2N)cc(OC)c1OC 29136319 SIDOTYJEYBQXOU-UHFFFAOYSA-N 360.797 3.660 0 1 FHAF CC1=C[C@H](C)[C@@H](C)O[C@H]1CC(=O)c1c(O)ncc(-c2ccc(O)cc2)c1O 2356454960 BUBCXTSXJBEQKQ-SRBZOADZSA-N 369.417 3.808 0 1 FHAF c1ccc(-c2cnc3n2C[C@@H](CNCc2c[nH]c4ccccc24)OC3)cc1 2356588600 AVAVUKDEXHRWKB-GOSISDBHSA-N 358.445 3.720 0 1 FHAF COc1ccc([C@H]2COc3cc(O)ccc3C2=O)c(O)c1CC=C(C)C 2356713871 UTOORUFRGMEGBJ-QGZVFWFLSA-N 354.402 3.974 0 1 FHAF COC(=O)c1c(N)nnc2c(C)c(C)c(O)c(Sc3ccc(C)cc3)c12 34816848 RDHWQHVCEKPAIR-UHFFFAOYSA-N 369.446 3.781 0 1 FHAF C=C(c1ccccc1OC[C@H](O)CNC(C)(C)C)n1cnc2ccccc21 33886617 HAAUBVPBGJLBEO-QGZVFWFLSA-N 365.477 3.683 0 1 FHAF CNC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 36221675 SGHKXPYOPVKZJP-CZTZKLFOSA-N 354.494 3.873 0 1 FHAF in-vivo COc1ccc(C(=O)N2c3ccccc3S(=O)c3ccccc32)cc1O 72110186 YEIVPXITHVAIIX-UHFFFAOYSA-N 365.410 3.859 0 1 FHAF CC[C@@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 40949530 KFQRNRMSCSAZDG-TZIWHRDSSA-N 352.478 3.625 0 1 FHAF O=C(c1cnc(N2CCCCC2)nc1-c1ccccc1F)N1CCCCC1 82159959 DWBHHVUYKCUEAC-UHFFFAOYSA-N 368.456 3.899 0 1 FHAF O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1 96271883 DQPJQHLZZHUOLW-UHFFFAOYSA-N 359.337 3.897 0 1 FHAF COCC(=O)N(c1ccccc1)[C@@H]1CCN(CCc2ccccc2)C[C@H]1C 253697827 BPQBOYKVKMDZQU-DENIHFKCSA-N 366.505 3.619 0 1 FHAF CC(=O)NC1(c2nc3cc(Br)c(C)nc3[nH]2)CCC(C)CC1 587234386 LSCWNZVEWCXVHG-UHFFFAOYSA-N 365.275 3.570 0 1 FHAF CCC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587810082 SWXVQXWUYXTNOC-QLJPJBMISA-N 358.251 3.681 0 1 FHAF C[C@H]1C[C@]2(C[C@@H](C)N1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345640 JDZLVOUVOGMJMC-JWBPIPTGSA-N 355.409 3.789 0 1 FHAF Cc1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 586945192 BBWRULKRWYJNRK-UHFFFAOYSA-N 373.459 3.671 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cc(C)cc(C)c1)[C@@H](C2)C3=O 587433263 PMSSTUJGVARHAL-HTAPYJJXSA-N 365.429 3.847 0 1 FHAF CCCCC[C@@H](C)CNC(=S)n1ncc2ccc(Cl)cc2c1=O 587655232 XUDQUBBPFLORRB-GFCCVEGCSA-N 351.903 3.989 0 1 FHAF COCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587827503 JTFNEOUXYJGVMR-XXFAHNHDSA-N 354.219 3.951 0 1 FHAF CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)[nH]c2cc(F)ccc12 587636855 MDORYZAXQKOFDC-UHFFFAOYSA-N 362.401 3.818 0 1 FHAF CN(C)c1ccncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574481 XAIFQDIAGFOAPI-WIYYLYMNSA-N 362.385 3.556 0 1 FHAF O=C(O)/C=C/C=C/c1nc2cc(Br)c(Br)cc2[nH]1 587966785 XLIQTYXESHUULE-ZPUQHVIOSA-N 372.016 3.742 0 1 FHAF O=C(N[C@H](c1ccccc1)c1nc2c(Cl)ncnc2[nH]1)c1ccccc1 587220573 SUHZENOALZTODK-CQSZACIVSA-N 363.808 3.526 0 1 FHAF CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3C[C@H]2C1)CC5 587213680 YXWUSHGXXJXAOG-LSDHHAIUSA-N 350.462 3.915 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cnc(Cl)c1OC)[C@@H](C2)C3=O 587422806 UVUDAGJZGFGDQE-BJOHPYRUSA-N 366.200 3.894 0 1 FHAF CCOC(=O)c1c(N)sc([C@@]2(C)NCCc3ccc(F)c(C)c32)c1C 962086081 CFPYHWHKEAWHLN-IBGZPJMESA-N 362.470 3.672 0 1 FHAF Cc1cc2c(cc1O)[C@H]([C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@H](C(=O)O)C2 963512442 WGMHGFSZFVHFBY-TYRIBLQHSA-N 357.372 3.709 0 1 FHAF O=C(O)c1cccc2c1CCN[C@H]2c1c(Cl)nc2cc(Cl)ccn12 963119155 CUAWZDBTCNFMMD-CQSZACIVSA-N 362.216 3.574 0 1 FHAF COc1ccc(Br)c([C@@]2(C)NCCc3nc4ccccn4c32)c1 962981919 HPTZHYXPNQSEFT-GOSISDBHSA-N 372.266 3.515 0 1 FHAF CC(C)=CCn1c2c(c3ccccc31)CC[C@@H](CN1CCOCC1)C2=O 59284870 BVOCMGLTZMVNOE-KRWDZBQOSA-N 352.478 3.685 0 1 FHAF CC(C)(C)OC(=O)C[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 1772632705 BPIRVFVIWLUPCM-QGZVFWFLSA-N 350.418 3.577 0 1 FHAF CCCCOc1c(C(=O)c2c(F)cc(OC)cc2F)cnc2n[nH]cc12 13535800 PRXRQGZKWMOFLL-UHFFFAOYSA-N 361.348 3.655 0 1 FHAF CCOC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681816 SRWMNPAYNHYCEU-GAKKHBCFSA-N 356.462 3.997 0 1 FHAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H]1N2C 14947345 JGAGHIIOCADQOV-TZIWHRDSSA-N 351.450 3.975 0 1 FHAF CC1=NC(=O)N[C@@H](c2cccc(O)c2)[C@@H]1C(=O)OC1CCCCCCC1 169690179 FQVVYTYPDLOXMH-MSOLQXFVSA-N 358.438 3.890 0 1 FHAF Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Nc2nc(C(F)F)cs2)n1 1857557890 YYBMJUGXFMZSGD-MWLCHTKSSA-N 369.393 3.593 0 1 FHAF COc1cc2c(cc1OC)N(c1cc(OC)c(OC)c(OC)c1)CCC2 1857762284 ISPKTBREUDSJFC-UHFFFAOYSA-N 359.422 3.814 0 1 FHAF FC(F)(F)Cn1nc(C2CC2)c2ccc(N=c3[nH][nH]c4cccnc34)cc21 1857769123 YHLUUAMMRUGRLW-UHFFFAOYSA-N 372.354 3.913 0 1 FHAF CC(C)[C@]1(O)CC[C@]2(C)C=C[C@](C)(O)C[C@@H](OC(=O)c3ccccc3)[C@@H]21 2356421698 RLHMEXGBDMGLGZ-MMGCJVFTSA-N 358.478 3.726 0 1 FHAF CC=CC=CC=CC(=O)O[C@@H]1C=C[C@](O)(CO)[C@]2(C)CCCC(C)(C)[C@H]12 2356382025 KKQZGPSOJHPQNX-YKWDRNOUSA-N 360.494 3.713 0 1 FHAF COc1cccc(-c2cncnc2NCc2ccc(OC)cc2OC)c1 4267793 UZGCYUZSEIMXRE-UHFFFAOYSA-N 351.406 3.782 0 1 FHAF C[C@]1(C(=O)NCC2CC2)C=C[C@@H](Cc2ccccc2)N1C(=O)c1ccccc1 7992782 PMMMYBVRPOMCKM-XUZZJYLKSA-N 374.484 3.595 0 1 FHAF C[C@H]1[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)CC(=O)[C@@H]1C 100788138 XVYFFIJITDUPCR-BROMXVHCSA-N 353.506 3.922 0 1 FHAF C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100800367 HRGMOLOUFOLRGV-UBHSHLNASA-N 357.372 3.641 0 1 FHAF Cc1nc(N(Cc2ccccc2)C(=O)C(C)(C)C)nc(C(F)(F)F)n1 103286196 JNEDLSODIIFRHX-UHFFFAOYSA-N 352.360 3.778 0 1 FHAF COc1cc2c(cc1O)[C@H](OC)[C@@H](c1ccc(OC)c(OC)c1)OCCC2 2356637497 USIOMUGEPCOIHU-RTWAWAEBSA-N 374.433 3.810 0 1 FHAF O=C(NC1CCCCC1)C(Br)(C(F)(F)F)C(F)(F)F 3159296 MIYPRLLDANSCNT-UHFFFAOYSA-N 356.104 3.694 0 1 FHAF biogenic O=c1c2ccccc2nc2n1[C@H]([C@H]1c3ccccc3N=C3CCCN31)CC2 15121874 JSBWLMOPVBHTTO-GHTZIAJQSA-N 356.429 3.765 0 1 FHAF biogenic Cc1ccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)cn1 219724124 AOODIZCJWOVZRK-HSZRJFAPSA-N 374.484 3.855 0 1 FHAF O=C(C[C@H](C(=O)Nc1ccccc1)n1ccnc1)c1ccc(Cl)cc1 45393083 VFNNIKMZOIWULI-QGZVFWFLSA-N 353.809 3.989 0 1 FHAF O=C(Nc1ccc(Cl)cn1)Nc1ccc([C@H]2CNCCO2)cc1Cl 149841690 JKCGKZSSBSUSOO-CQSZACIVSA-N 367.236 3.693 0 1 FHAF O=C(c1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 144706805 CSWVWAQONWYQRM-QGZVFWFLSA-N 367.754 3.965 0 1 FHAF CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@H](N)CC(C)C 254134742 YICPFUCSYSAEOE-RYTRXMBJSA-N 358.526 3.597 0 1 FHAF C[C@H](Cc1ccc(Cl)cc1)N1C(=O)CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 299849119 XRMFYWPUUCWBAI-DYWXZXKOSA-N 374.868 3.641 0 1 FHAF NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(C(F)(F)F)cc1 653711603 WTVOQTHARGMOJR-QGZVFWFLSA-N 359.351 3.935 0 1 FHAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)NC1C2CC3CC(C2)CC1C3 587638551 RVNBAVJECGBALJ-UHFFFAOYSA-N 352.434 3.729 0 1 FHAF OC1(c2nc3c(Br)ccnc3[nH]2)CCC(C(F)(F)F)CC1 587126710 MGGGZZQTJFCPKC-UHFFFAOYSA-N 364.165 3.661 0 1 FHAF O[C@H](c1ccc(Br)cc1)c1nc2cnc3ccccc3c2[nH]1 586996289 DBJUCLUINUBXKO-MRXNPFEDSA-N 354.207 3.955 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCN(C(=O)OC(C)(C)C)[C@H]1C)[C@@H](C2)C3=O 587441484 GAENVODLYQWYRV-QOKQMOMRSA-N 373.449 3.601 0 1 FHAF COc1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587121027 OIODTJSNTJDEEE-UHFFFAOYSA-N 350.222 3.999 0 1 FHAF Nc1cccc(C(=O)O)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587248355 NZKHJEAMHIECTR-UHFFFAOYSA-N 357.369 3.741 0 1 FHAF CC(C)N1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587770643 SJRMTMRORXPCBJ-YVEFUNNKSA-N 355.295 3.822 0 1 FHAF CCC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352115 NUZQCYIIXGAJOY-CTNGQTDRSA-N 372.392 3.992 0 1 FHAF COc1ccc([C@@]2(C[C@H](C)C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403687 PQSJKCZUXQZTCM-YEJXKQKISA-N 369.417 3.557 0 1 FHAF Cc1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1C 587127403 SOWHSCLJCWECDS-UHFFFAOYSA-N 355.341 3.535 0 1 FHAF Cc1ccc(-c2noc(C[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 587394589 IBUABJJVRMDUQJ-NRFANRHFSA-N 363.417 3.902 0 1 FHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc(C(=O)OC)c2[nH]1 587926935 MFLRWFGLDQALAV-CYBMUJFWSA-N 354.406 3.909 0 1 FHAF Cc1nccnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341296 WABLTLJCTDWMBK-NQIIRXRSSA-N 364.376 3.904 0 1 FHAF CO[C@@H](C)COC1CCC(c2nc3cc(Br)ncc3[nH]2)CC1 587952760 WWFHYMYWVBUGOQ-UNXYVOJBSA-N 368.275 3.798 0 1 FHAF CC[C@]1([C@@H](C)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587804253 DEEPCJGEHUCJCR-KCWFYHRYSA-N 358.251 3.537 0 1 FHAF COc1cc2c3c(c1)O[C@H](C1(c4ccccc4C)CCOCC1)[C@@H](C2)C3=O 587449371 BIDFYJJZFIZERX-JTSKRJEESA-N 364.441 3.868 0 1 FHAF CCOC(=O)[C@H](CC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798592 PBXASHIXQJHSIB-YOIRWDDOSA-N 372.278 3.927 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962627440 PIMUEHFPMYLNFQ-JLCFBVMHSA-N 369.461 3.615 0 1 FHAF Cc1ccc(CN2CC[C@H](N3CCC(c4ccc(O)cc4)CC3)C2=O)cc1 1772624297 ILUHFPBBZNEUNW-QFIPXVFZSA-N 364.489 3.681 0 1 FHAF CN(c1ccc(F)cc1)C1CCC(c2nnn3cnc4[nH]ccc4c23)CC1 1772585134 AQDDTSUQNVSXNM-UHFFFAOYSA-N 364.428 3.907 0 1 FHAF CN(C)c1ccc(-c2nc3ccccn3c2I)cc1 13558819 QCGDTNOMOZCRNR-UHFFFAOYSA-N 363.202 3.672 0 1 FHAF CCC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@@H]2C1 169333236 BQARMQQMIRQXAT-BUUIRPOOSA-N 359.473 3.981 0 1 FHAF CC(C)[C@@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F)C(N)=O 204415761 LHJHRTCFTVFGOF-MRXNPFEDSA-N 369.362 3.506 0 1 FHAF COc1cc(OC)c(-c2ccnc(NC(C3CC3)C3CC3)n2)c(OC)c1 26183313 YBUCBKXCNLUVCQ-UHFFFAOYSA-N 355.438 3.770 0 1 FHAF CC1(C)CC(=O)C(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(=O)C1 101145518 XBQJRNMSSOESDV-UHFFFAOYSA-N 361.747 3.872 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccc2c(c1)OCO2 104014119 SBKBVCUYMZFEQJ-BDBAMQCISA-N 373.405 3.617 0 1 FHAF COc1ccccc1[C@H]1CC[C@H](N2CCN(c3ccccn3)CC2)CC1 100086264 FCPLDXWPGMEXLL-KDURUIRLSA-N 351.494 3.939 0 1 FHAF O[C@@H]1C=C[C@@H]2[C@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100899186 YQWCIPIEEBVRNY-NZTSAZHJSA-N 354.875 3.995 0 1 FHAF in-vitro CCCNC(=O)c1ccc2cc([C@@](O)(c3c[nH]cn3)C(C)C)ccc2c1 66066326 GICBPQGKGLLFIN-OAQYLSRUSA-N 351.450 3.595 0 1 FHAF COc1ccc([C@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)cc1 64549481 NDWXVRXJZNVDPB-NRFANRHFSA-N 367.351 3.966 0 1 FHAF Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(O)cc3)[nH]2)c1 118824349 HRQCZZMXWGOXRJ-UHFFFAOYSA-N 354.435 3.525 0 1 FHAF CC(C)CC[C@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27874882 JMCLDJHNMNGXFG-FPPGBKCQSA-N 356.503 3.771 0 1 FHAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1cccs1)N1CCCC1 26477084 AAYJVJWHJJTTDQ-JCECYMMASA-N 372.534 3.634 0 1 FHAF CSCCc1c(C(=O)O)n(Cc2cccc(C(=O)O)c2)c2ccccc12 64559327 YHIFIQSFUSBKEZ-UHFFFAOYSA-N 369.442 3.992 0 1 FHAF Fc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1F 71340828 OTEKITPNFHRZGC-UHFFFAOYSA-N 356.163 3.859 0 1 FHAF CCOC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103113 NMVAWIHZIHBCCU-GOSISDBHSA-N 359.857 3.599 0 1 FHAF CC[C@]12CCCN3CCc4c(n(c5c(OC)c(OC)ccc45)C(=O)C1)[C@@H]32 15149026 GYPAVOKGSJNVHQ-RTWAWAEBSA-N 354.450 3.792 0 1 FHAF biogenic O=C(CCCc1ccccc1)C(=O)NCCc1ccc(Br)cc1 1911575127 UXVIUVUJSGLXAL-UHFFFAOYSA-N 374.278 3.700 0 1 FHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2OC)c1 221722153 HCIIPWGEJOAVRZ-CYBMUJFWSA-N 351.406 3.585 0 1 FHAF COc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@@]3(C(F)(F)F)C2=O)cc1 28536229 LPKIBKLFJSUMMO-PBHICJAKSA-N 353.340 3.864 0 1 FHAF biogenic O=C1CC[C@]2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)N1 587107621 SCKDXCYOYWWMEB-QHCPKHFHSA-N 354.409 3.584 0 1 FHAF Fc1cccc(Cn2nnc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2Cl)c1 587160965 JGNNSZFSJJERPJ-UHFFFAOYSA-N 367.775 3.539 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nccnc2Cl)N1 587705660 NJQLWEJSVAYBDQ-VXJOIVPMSA-N 370.653 3.829 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cccs2)N1 587849238 RPWMUWJZMDNZMW-GLEZIHRCSA-N 370.243 3.512 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1[C@@H]3C[C@H]1N(C(=O)OC(C)(C)C)C3)O2 587399606 KULJHGQNUCRYCQ-LCRVZXNPSA-N 372.465 3.557 0 1 FHAF COc1cc2c(cc1OC)[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587404551 XTJKVYCHKAJSKZ-OAQYLSRUSA-N 353.418 3.791 0 1 FHAF Nc1cc(F)cc(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558373 ROUAYVWRYZPFII-YLJYHZDGSA-N 369.323 3.956 0 1 FHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587927321 PDDLQEHJFLZTJS-HNNXBMFYSA-N 367.449 3.824 0 1 FHAF O=C(N[C@H](c1ccccc1)c1nc2ccc(CCO)cc2[nH]1)c1ccccc1 587218549 JPQIVWZHWANXDW-OAQYLSRUSA-N 371.440 3.617 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)OCCO3)N1 587837007 CVXCZOWZDQTSMW-LLVKDONJSA-N 370.262 3.635 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(c3nccs3)CC1)CC2=O 587495647 PRMPUKRUJTZIJA-UHFFFAOYSA-N 358.463 3.806 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(Cl)nc(COC)n1 587871507 XVAGTUQYSLPYFR-UHFFFAOYSA-N 362.792 3.667 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc(F)c2)N1 587740064 WACORJZOAGZVQX-FVMDXXJSSA-N 353.210 3.920 0 1 FHAF c1cc2c(s1)CCS[C@@H]2c1nc2ccc(CN3CCOCC3)cc2[nH]1 587036671 JAXFIOOTBODEND-SFHVURJKSA-N 371.531 3.835 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c1ccc(O)c3F)CC2=O 587470197 FHNYZBLAJDMENQ-FQEVSTJZSA-N 358.365 3.833 0 1 FHAF Cc1cnc2nc(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)[nH]c2c1 587126593 ZSXALHGDFQWUJT-UHFFFAOYSA-N 370.356 3.503 0 1 FHAF Nc1ccc(-c2nc3cc(Br)ncc3[nH]2)c(C(F)(F)F)c1 587095479 GGMRJXQPOPFLMR-UHFFFAOYSA-N 357.133 3.988 0 1 FHAF C[C@@]1(c2ccc(Cl)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552468 RRGNXSMGAKZUBB-LPHOPBHVSA-N 368.776 3.713 0 1 FHAF CC(C)c1nn(C)c2c1[C@](C(=O)c1ccsc1)(c1ccsc1)NCC2 962920153 LMNLHAFDXIUBFC-IBGZPJMESA-N 371.531 3.939 0 1 FHAF Cc1cc2c(cc1F)[C@](C)(c1ccc(N3CC(C)(C)C3=O)cc1)NCC2 962150415 ZGGLRLXLEWCNDC-QFIPXVFZSA-N 352.453 3.916 0 1 FHAF CN1C(=O)C[C@H]2CN[C@@](CCOc3ccccc3)(C3CC3)c3cccc1c32 963023954 JFLVLFUIFLTHNH-HJPURHCSSA-N 362.473 3.814 0 1 FHAF CC(=O)c1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3C)C2)s1 11839254 NEEAHNOYMIVYHB-NRFANRHFSA-N 371.502 3.717 0 3 FHAF COc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1 13525166 SZXXTHFNGLCWIO-UHFFFAOYSA-N 362.838 3.605 0 1 FHAF O=C(O[C@H]1CN2CCC1CC2)N1Cc2ccccc2[C@H](c2ccccc2)C1 13674413 IXGRKPFGSCOIIW-VXKWHMMOSA-N 362.473 3.865 0 1 FHAF COC(=O)N1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1ccc(OC)cc1-3 14775353 GIUSYZFFMYWEAY-INIZCTEOSA-N 369.417 3.601 0 1 FHAF endogenous,in-man CCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 16639885 PHTMSELGERPXQU-UHFFFAOYSA-N 371.444 3.681 0 1 FHAF COc1ccc(N2C(=O)[C@H]3C[C@H](C)c4c([nH]c5ccccc45)[C@H]3C2=O)cc1 17212345 WCKFQFJHMVYTQQ-UVIMBBFXSA-N 360.413 3.957 0 1 FHAF C[C@@H](NC(=O)Oc1cccc2c1OC[C@H]1CCN(C)[C@@H]21)c1ccccc1 169360182 GDJCEUYIQJRPFO-IDHHARJASA-N 352.434 3.921 0 1 FHAF CC(C)Nc1cncc(-c2c[nH]c3ccc(-c4nsc(N)n4)cc23)n1 204778285 MCKDPRWMNDLDPP-UHFFFAOYSA-N 351.439 3.546 0 1 FHAF COc1ccc2c(c1)CC[C@H](O)/C2=C/c1cc(OC)c(OC)c(OC)c1 207297685 ZMFSGTZTXVKBCT-GONKEYIRSA-N 356.418 3.569 0 1 FHAF C[C@H](O)CO[C@@H](C)Cn1cc(-c2cccc(C(N)=S)c2)c2ccccc21 1857614960 ABAQNXPLLZCQAL-GJZGRUSLSA-N 368.502 3.728 0 1 FHAF COc1cccc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)c1 1857750853 BKCLGCCXFFKMOY-UHFFFAOYSA-N 374.462 3.591 0 1 FHAF Cc1ccccc1-n1c(CC(=O)c2cccnc2)nc2ccccc2c1=O 1849282 AYAVLTURCNQGSH-UHFFFAOYSA-N 355.397 3.515 0 1 FHAF O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)c1ccccc1 5068592 INAFBAQWQVDWFF-UHFFFAOYSA-N 364.405 3.905 0 1 FHAF O=C(CCc1nc2cccnc2n1Cc1cccs1)NC1CCCCC1 6737801 VVRWUFBZCSVYCN-UHFFFAOYSA-N 368.506 3.923 0 1 FHAF Cc1ccc(-c2cn3c(O)nc4c(c3n2)CN(Cc2ccccc2)CC4)cc1 13492020 CFHGKTQPFHVLQX-UHFFFAOYSA-N 370.456 3.969 0 1 FHAF C/C=C\c1ccc(O[C@H](C)[C@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 14647927 DIEIEAKVQCTJFH-ALIVOICLSA-N 374.433 3.952 0 1 FHAF endogenous,in-man CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccncc2)C2=C(O)CCCC2=N1 19761221 WBAMGZSSYGJFAC-DNVCBOLYSA-N 368.433 3.612 0 1 FHAF C=CCOc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@@H](C)C(=O)N1CCCC1)CC2 25205986 WWJNGPMTEMSZSX-FYINFDKHSA-N 357.494 3.723 0 1 FHAF biogenic C[C@@H](Cc1cc2c(cc1O)OCO2)[C@@H](C)C(=O)c1ccc2c(c1)OCO2 40423835 NZZRRNMWPWPQPA-NWDGAFQWSA-N 356.374 3.547 0 1 FHAF biogenic COC(=O)/C(C(=O)Nc1nccs1)=C1/SC=C(C)N1c1ccccc1 40916272 YERJRFMQDSCKEF-FYWRMAATSA-N 373.459 3.581 0 1 FHAF COc1ccc([C@H]2NC(=O)Nc3ccc(CNc4ccccn4)cc32)cc1 66252045 KXKANTOXHPVOEL-HXUWFJFHSA-N 360.417 3.927 0 1 FHAF C=CC1=C(C(=O)NCc2ccccc2F)[C@@H](c2ccc(OC)cc2)OC1 82157772 FUGUPQHEQKVFAG-HXUWFJFHSA-N 353.393 3.705 0 1 FHAF COc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3Cl)OC2=S)cc1 84633561 CZVUBKJGYSQZSU-NVNXTCNLSA-N 361.806 3.743 0 1 FHAF COc1ccc(OC)c2c(=O)cc(CCc3cccc(OC(C)=O)c3)oc12 85646375 YNNDGPXRYDVGAA-UHFFFAOYSA-N 368.385 3.521 0 1 FHAF biogenic,in-vitro COc1cc(Cl)ccc1O[C@H](c1cccc(F)c1)[C@H]1CNCCO1 89465240 SGXWOKUJCWMPJE-QZTJIDSGSA-N 351.805 3.596 0 1 FHAF in-vitro COc1oc(=O)c2cc(NC(=O)C(F)(F)C(F)(F)F)ccc2c1Cl 95592321 SDRZNRFOTKKYPU-UHFFFAOYSA-N 371.645 3.591 0 1 FHAF COc1ccc2c(c1OC)C(C)(C)N1CCc3cc4c(cc3[C@@H]1C2)OCO4 95601221 PKGLJWDKMKATAA-INIZCTEOSA-N 367.445 3.823 0 1 FHAF COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1 96905822 SHLPQUHKONZOAE-UHFFFAOYSA-N 354.431 3.627 0 1 FHAF C=CC(=O)N1CCc2c(sc3ncnc(Nc4cccc(C)c4F)c23)C1 103297801 GEJMJYDZLHWEBY-UHFFFAOYSA-N 368.437 3.953 0 1 FHAF O=C(O)Cc1ccc(Nc2nc(-c3cccc(F)c3)nc(C3CC3)n2)cc1 143689004 VFIFVGCWAGBBAZ-UHFFFAOYSA-N 364.380 3.926 0 1 FHAF O=C(Nc1nc(C(F)(F)F)cs1)c1cc(Oc2cccnc2)ccn1 167365055 JFOKHDFNIICWIN-UHFFFAOYSA-N 366.324 3.997 0 1 FHAF CCCCC[C@]1(C)/C=C\[C@@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 169290043 HWOPMIJWXGQTJL-MRWFBBKQSA-N 350.499 3.913 0 1 FHAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3)nn21 200796013 QBUOECJLFIDNSJ-CQSZACIVSA-N 351.381 3.823 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NCC(C)(C)C 206108895 FUHMQPKEAAESFF-UHFFFAOYSA-N 363.465 3.677 0 1 FHAF CCC(=O)Nc1ccc(-c2nc(N=c3cc[nH][nH]3)c3ccccc3n2)cc1 473091608 RCFHUMWIPSPLDZ-UHFFFAOYSA-N 358.405 3.534 0 1 FHAF COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br 473108534 MZWUFGTUXRBVNC-UHFFFAOYSA-N 366.255 3.504 0 1 FHAF CCOc1n[nH]c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1Br 586978975 DQCQLOBOIZLMQX-UHFFFAOYSA-N 359.586 3.907 0 1 FHAF CCc1cc(OCc2nc3nc(Br)c[nH]c-3n2)ccc1Cl 587052845 PLMZXPRIMLCSGN-UHFFFAOYSA-N 367.634 3.862 0 1 FHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(S(=O)(=O)CC)ccc3[nH]2)n1 587080646 XDQIIGJBGJDLJV-SNVBAGLBSA-N 366.874 3.844 0 1 FHAF O=C(O)c1cccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587167005 DNCOZMWVROCLPD-OAHLLOKOSA-N 368.368 3.769 0 1 FHAF C[C@@]1(c2ccnc(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336279 JVDMYPOGKZAFRY-FPOVZHCZSA-N 365.360 3.906 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1cncc(Br)c1)O2 587373918 VUZZKUNQTAKEFE-ZDUSSCGKSA-N 361.239 3.701 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3ccc(F)cc31)CC2=O 587469729 CHUHSNYNULMKAR-FQEVSTJZSA-N 356.349 3.654 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@@H](C)C(=O)OCC)CC2=O 587470905 MVGZBIUWYUATHO-DJJJIMSYSA-N 371.433 3.977 0 1 FHAF COC(=O)Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525531 POACNDIZOQJXCR-HXUWFJFHSA-N 350.414 3.987 0 1 FHAF Nc1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576095 FUWDANOKXWOLOD-KNQAVFIVSA-N 359.381 3.778 0 1 FHAF Cc1cccnc1-c1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587650454 WTSPJMZFNXKKOI-UHFFFAOYSA-N 354.353 3.961 0 1 FHAF CCc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587774637 NEITVFWMMSNDOP-ABKXIKBNSA-N 350.235 3.564 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CCC[C@H](C2)N3C)N1 587775158 RBRQMXBLOROKDC-NASWQRNTSA-N 367.306 3.964 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(O)cc(O)c2)N1 587826325 AHEOYORHLXLHPQ-HUTHGQBESA-N 366.230 3.797 0 1 FHAF Cc1c(F)ccc2c1[C@@](c1ccccc1Cl)(c1nccn1C)NCC2 962090220 HRRPGCOQUQVKKX-FQEVSTJZSA-N 355.844 3.959 0 1 FHAF CC(C)=C1NCCc2ccc([C@H]3NCCc4c3c(C(C)C)nn4C)cc21 962915257 HBONRCHRYLNYBR-JOCHJYFZSA-N 350.510 3.675 0 1 FHAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1c(F)cccc1F 1772589836 FCWLESDKJOPDNI-LLVKDONJSA-N 357.360 3.855 0 1 FHAF COc1ccc(CNc2nc(NC3CC3)nc3ccccc23)cc1OC 1772608853 MOIHFYGKSJRYIE-UHFFFAOYSA-N 350.422 3.833 0 1 FHAF COc1cccnc1C1CCN([C@H]2CCCN(c3nccs3)CC2)CC1 1857621323 MKBSWKVMNWBCNO-KRWDZBQOSA-N 372.538 3.785 0 1 FHAF CCc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC)C(=O)N32)o1 1857655534 VKKJMPZSQBNIOL-LPHOPBHVSA-N 363.417 3.622 0 1 FHAF CC(=O)CCc1cn(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)nn1 1911572537 CXAFDEOQRFFKTB-UHFFFAOYSA-N 367.384 3.572 0 1 FHAF N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ncccn2)n1 61928494 QDLHEEAZUAHRDY-GFCCVEGCSA-N 365.384 3.938 0 3 FHAF COc1ccc2c(c1)C[C@@](CCN(C)C)(c1ccc(Cl)cc1)OC2=O 53243892 HSMUTFIXDOZWTB-FQEVSTJZSA-N 359.853 3.909 0 1 FHAF CC[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C(=O)[C@H](N)CC(C)C 100706977 YICPFUCSYSAEOE-RPUPUWCGSA-N 358.526 3.597 0 1 FHAF Cc1ccc(/C=C2\CNCC3=C2NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 101679935 KTONFTMVDHRYIE-BUDOKORBSA-N 361.514 3.763 0 1 FHAF COc1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)ccc1O 28567906 AJZJXURHCCUJIF-UHFFFAOYSA-N 351.284 3.547 0 1 FHAF COc1ccc([C@@H]2C[C@H](c3ccc(OC)c(OC)c3)[C@@H](OC)CO2)cc1O 2356566170 WTCGOQUMVRSMDU-JJXUHFIVSA-N 374.433 3.678 0 1 FHAF CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccncc3)o2)C[C@@H]1C(C)C 2356579115 QSHPWNBASOFNSR-GBESFXJTSA-N 368.481 3.665 0 1 FHAF COc1ccccc1NC(=O)c1cc(Sc2nccn2C)c(F)cc1N 28871920 BZCDRQYLKMQPDH-UHFFFAOYSA-N 372.425 3.554 0 1 FHAF CCOC(=O)[C@]1(C)CCCCCN1C(=O)c1ccc(C(F)(F)F)nc1C 61895742 QWWZXGCDVOVSBG-KRWDZBQOSA-N 372.387 3.747 0 3 FHAF Cc1ccc(C(=O)N2CC(F)(c3ccc(C#N)cc3)C2)cc1-c1[nH]ncc1C 218928697 NPBZBBOWVAXDKH-UHFFFAOYSA-N 374.419 3.886 0 1 FHAF COCC(=O)NCCN1C(C)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 72124985 QOYJYGFUURRQIC-FQEVSTJZSA-N 371.868 3.558 0 1 FHAF C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CC[C@H](C)C3 223658512 ZNCPXKJCKQDBBN-RYUDHWBXSA-N 353.495 3.637 0 1 FHAF CC(C)c1nc2c(NCc3ccc(F)cc3)ncnc2n1C[C@@H]1CCCO1 82185935 LRHCTJOHXFQZBE-INIZCTEOSA-N 369.444 3.880 0 1 FHAF OCCN(Cc1ccccc1)c1cc(Oc2cccc(Cl)c2)ncn1 82067391 GPIFMYKQJRFVCK-UHFFFAOYSA-N 355.825 3.921 0 1 FHAF O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 95578353 PKEODQBLMLQVCV-OZVIIMIRSA-N 357.841 3.752 0 1 FHAF CSc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587614826 VBHBSHGNPSFIPE-CRAIPNDOSA-N 366.398 3.607 0 1 FHAF Cc1nccn1CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587755090 ODNTUHGGICEXGG-PIGZYNQJSA-N 366.278 3.933 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(COCc3[nH]ccc32)[C@H]1c1ccc(F)cc1 587346721 MYXBMJHLHVRKDK-PZJWPPBQSA-N 365.360 3.644 0 1 FHAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)cc(F)c12 587510165 VJJWRSWCDRJKRR-FQEVSTJZSA-N 355.340 3.656 0 1 FHAF Cc1cnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 587000056 DZPXHTFVBUHQML-NSCUHMNNSA-N 372.222 3.970 0 1 FHAF O=S(=O)(/C=C/c1nc2cccc(Br)c2[nH]1)c1ccccc1 586926416 PMSURZLNTQFBIH-MDZDMXLPSA-N 363.236 3.770 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCCC[C@H]1Cn1ccnc1)[C@@H](C2)C3=O 587431688 QICRMDJTQLZJSR-WJPUGNRLSA-N 352.434 3.658 0 1 FHAF C[C@@H](F)[C@@H](N)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587123438 JPHPZFBZLVXUBJ-SPGJFGJESA-N 356.117 3.582 0 1 FHAF CCOC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2c(C(=O)O)cccc12 587639137 WDPMYHCDABLKPO-UHFFFAOYSA-N 371.776 3.932 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587938772 ZWMAJMGKSDDXNV-CWTRNNRKSA-N 354.406 3.570 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N(C)C)nc3ccccc3c1O)O2 587384916 AEXPPSZPZKVGOI-KRWDZBQOSA-N 363.417 3.604 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587042516 LDHDIULTQUIHDA-HNNXBMFYSA-N 373.457 3.508 0 1 FHAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(C(N)=O)cc2[nH]1 587044682 ODXKEHKBJSNCNT-UHFFFAOYSA-N 366.204 3.653 0 1 FHAF COc1ccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2n1 586977402 NCRAQJVMLWUEMH-QPJJXVBHSA-N 360.211 3.908 0 1 FHAF C[C@@]1(c2ncc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568035 JZBRGTVPGCDAFQ-OXJNMPFZSA-N 369.323 3.942 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2cccnc2)(C2CCNCC2)N1 962946334 LLEBIIBHCWBXAZ-MBSDFSHPSA-N 360.505 3.730 0 1 FHAF CC(C)c1nn(C)c2c1[C@H](c1ccc(Br)c(F)c1)NCC2 962921408 TUHXICFFRSMDGM-INIZCTEOSA-N 352.251 3.680 0 1 FHAF COc1ccccc1[C@]1(C(=O)O)NCCc2cc(-c3ccccc3)ccc21 962673122 ZQFFFMBSOSFUTN-HSZRJFAPSA-N 359.425 3.836 0 1 FHAF O=S(=O)(Cc1cc(Cl)sc1Cl)Nc1ncc(Cl)cc1O 1857535121 JYPOKMUEZOXZPP-UHFFFAOYSA-N 373.670 3.751 0 1 FHAF O=C1N[C@H](c2ccc(Br)cc2)c2c(-c3ccccc3)n[nH]c21 5615046 SUIWKOFIGXJHBE-CQSZACIVSA-N 354.207 3.672 0 3 FHAF Cc1ccc2cc(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)[nH]c2c1 150090608 VXIMXYPRIKHTPC-UHFFFAOYSA-N 370.416 3.660 0 1 FHAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Br)s1 169371993 AZGJPBSOUXXLFR-COPZABGMSA-N 368.296 3.550 0 1 FHAF COc1ccc([C@H]2CC(=O)[C@H]3C(=Nc4ncnn4[C@@H]3c3ccccc3)C2)cc1 169686750 LBQJZEHXATVNNM-MAODMQOUSA-N 372.428 3.725 0 1 FHAF O=C(N[C@@H]1COc2ncccc21)C1(c2ccc(F)cc2Cl)CCCC1 206031787 KEQZPVWOVUFEBQ-MRXNPFEDSA-N 360.816 3.936 0 1 FHAF COc1cc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc(OC)c1 203004371 QOSPVZIEZFHAPZ-UHFFFAOYSA-N 366.425 3.890 0 1 FHAF O=C(O)c1cccc(-n2c(/C=C/c3cccnc3)nc3ccccc3c2=O)c1 1857592167 QLTHXEDHGKTDJM-ZHACJKMWSA-N 369.380 3.649 0 1 FHAF O=C(Nc1nc2cc(-c3ccccc3)ccn2n1)c1ccc(F)c(F)c1 1857613559 PFJPJRFGGOQQOE-UHFFFAOYSA-N 350.328 3.927 0 1 FHAF Cc1nc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)[nH]c1C 1857757287 CHYKAGGIMZHNDM-UHFFFAOYSA-N 362.861 3.595 0 1 FHAF CC=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@@H](O)[C@@H](C)C(=O)CC 2356327583 DNIXQXLXMAQDFP-HREPXLEDSA-N 366.542 3.815 0 1 FHAF C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)C1 3911262 BIKFULWQTVUENO-GJZGRUSLSA-N 369.490 3.897 0 1 FHAF CC(C)n1cnc2c(C(=O)NC3C[C@H]4CC[C@H](C3)N4C)cc(Cl)cc21 100925735 JKCPJPRSHXMMGA-HUUCEWRRSA-N 360.889 3.626 0 1 FHAF COc1cc(CCN2CCCC2)c(Br)cc1Br 103269933 YDUHKFFYYVNWSU-UHFFFAOYSA-N 363.093 3.859 0 1 FHAF COc1ccc2c(c1)[C@H](SCCN1CCOCC1)c1ccccc1O2 25970833 HBDZYTQRDGAQRO-HXUWFJFHSA-N 357.475 3.956 0 1 FHAF CC(C)(Oc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1)C(=O)O 26475284 XMUWUUJCQZMPKV-UHFFFAOYSA-N 350.321 3.851 0 1 FHAF NS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)OCO3)cc1 29486809 BYQHCWLTFJUYDE-UHFFFAOYSA-N 371.389 3.536 0 1 FHAF COc1ccc(Nc2nnc(-c3cccnc3NCc3ccccn3)o2)cc1 28569570 OUTHBYHFXYGLSP-UHFFFAOYSA-N 374.404 3.891 0 1 FHAF CC(=CC(=O)O[C@@H]1C[C@@H]2[C@H](C)CN(C)C[C@@H]2[C@H]1C)CCC=C(C)C(=O)O 2356680995 ATLOQCAJYLXOFN-FVVUREQNSA-N 363.498 3.509 0 1 FHAF CN(Cc1nc2ccccc2n1CCCCN)[C@H]1CCCc2cccnc21 35906846 IDGSHCFMEWBTLX-FQEVSTJZSA-N 363.509 3.680 0 1 FHAF C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1)c1ccccc1 36387736 PQZZFYSFCMAQMG-LBPRGKRZSA-N 368.824 3.806 0 3 FHAF CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1 40950804 CMWAFGVDYAWHSS-UHFFFAOYSA-N 368.437 3.582 0 1 FHAF in-vivo C=Cc1ccccc1S(=O)(=O)NCCNc1cccc2ccccc12 220479662 KFQOANKDUTYZKS-UHFFFAOYSA-N 352.459 3.873 0 1 FHAF O=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)c2cccc(F)c2c1=O 45259565 LGTNBWDIRWHWDH-UHFFFAOYSA-N 365.282 3.906 0 1 FHAF CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc2ccccc12 84758195 KLAOTHGVZZJSFT-OAQYLSRUSA-N 359.425 3.970 0 1 FHAF Fc1ccc(-c2nc(Cc3ccccc3)no2)c(OC2CCNCC2)c1 225206047 YIPBNUHIGDUKKQ-UHFFFAOYSA-N 353.397 3.597 0 1 FHAF NC[C@H](C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1 40395522 SZPYEVURGKSXEH-INIZCTEOSA-N 362.458 3.972 0 1 FHAF COc1cccc(-c2ccc(S(=O)(=O)N(C)c3cccc(O)c3)cc2)c1 96937547 ICFIUYRSPOQXRW-UHFFFAOYSA-N 369.442 3.893 0 1 FHAF COc1c(C(=O)NCc2ccc(Cl)cc2)c(C)nn1-c1ccccc1 653722454 KTOWPTWDRPZRCS-UHFFFAOYSA-N 355.825 3.773 0 1 FHAF C[C@@]1(c2ccncc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330492 BTAZZADMDKUQQU-CTNGQTDRSA-N 364.376 3.783 0 1 FHAF Cc1[nH]c(=N)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587853357 QFXJDSLXZVCONU-ZIDLFYJRSA-N 370.291 3.563 0 1 FHAF Cc1onc(-c2nc3c[nH]c(=N)cc3[nH]2)c1COc1ccc(Cl)cc1 587076381 RRKSXCRTCNIRAB-UHFFFAOYSA-N 355.785 3.566 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3c(Cl)cnc(Cl)c3[nH]1)C2 587246010 CLQYMXIREHEDQJ-KRWDZBQOSA-N 363.248 3.616 0 1 FHAF Cc1cccc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c1C 587652417 RPXUDZGTHLYOQX-ZDUSSCGKSA-N 356.809 3.774 0 1 FHAF C[C@@]1(c2cn3ccccc3n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584659 ABFCOXIWJHCFSO-UGKGYDQZSA-N 372.380 3.917 0 1 FHAF CC(C)(C)Oc1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(N)cc1F 587136854 XLMSGWPFKBLAFL-UHFFFAOYSA-N 355.373 3.710 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 586937530 GBKBXKDPMDWSDQ-SNVBAGLBSA-N 365.405 3.585 0 1 FHAF C[C@@H]1C[C@]2(CC[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587606722 FNIRHRSWVMPXLM-CNTOYUPWSA-N 368.385 3.613 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2F)N1 587729798 HSPSROICSADKGN-JDNHERCYSA-N 353.210 3.920 0 1 FHAF COc1cc2c3c(c1)O[C@@H](CCc1cccc(C(C)=O)c1F)[C@@H](C2)C3=O 587427831 WBRXKUYZYGTHKA-SJORKVTESA-N 354.377 3.786 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N[C@H](C)c1ccccc1)O2 587386397 ITRMVLWOJGWXNA-SPLOXXLWSA-N 352.434 3.569 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2NC=Cn3cccc32)N1 587775310 ZBSDLDKKSKRMGR-GPNNCHTKSA-N 362.246 3.738 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(F)c1 587567506 AZKLFVPVEJUWMA-YLJYHZDGSA-N 352.317 3.940 0 1 FHAF Cc1[nH]c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C=O 587791264 KRVQVLBXWNCLKX-QPFGOUBPSA-N 365.246 3.969 0 1 FHAF CN=c1nc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[nH]s1 587101214 FDUXXJCKBAHRKL-UHFFFAOYSA-N 372.453 3.661 0 1 FHAF COCCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574029 AEZRBWDJYJFSHY-RXVVDRJESA-N 365.385 3.543 0 1 FHAF CC(C)[C@@H]1CC[C@@]2(C1)N[C@@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962638830 NSBDTLGVKODTQY-JGFGOQIWSA-N 357.372 3.836 0 1 FHAF O=C1C[C@@H](c2ccccc2)O[C@]2(C1)C(=O)Nc1cccc(Br)c12 1772592235 CKMYEMRHMFFNMA-YJBOKZPZSA-N 372.218 3.717 0 1 FHAF C[C@H](NC[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@]3(C)[C@H](O)[C@H]21)c1ccccc1 16036832 YSIINEYFHDVBCW-BYQBEEHQSA-N 369.505 3.622 0 1 FHAF biogenic C[C@H]1C/C=C/[C@H]2OC(C)(C)O[C@H]2CC/C=C\c2cc(O)cc(O)c2C(=O)O1 169727606 RATBTQWBKSYHAA-DBZAFBJLSA-N 374.433 3.917 0 1 FHAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3cccc(-n4cccn4)c3)cc21 205098181 OPCWMMNJFXCSIA-UHFFFAOYSA-N 355.401 3.750 0 1 FHAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773594 RJGKEBWDPSFIAY-BLLLJJGKSA-N 372.396 3.878 0 1 FHAF Cc1nc2sccn2c1CN1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 11933135 ZIRGPLCZACRVDD-OAHLLOKOSA-N 370.478 3.509 0 1 FHAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccnc2)C1 15673906 BBSKWLCDEJDTMG-IEBWSBKVSA-N 358.445 3.726 0 1 FHAF biogenic CCCc1ccc(Br)cc1S(=O)(=O)Nc1onc(C)c1C 26470688 XWNXSAKNQIGGHJ-UHFFFAOYSA-N 373.272 3.807 0 1 FHAF COC(=O)c1c(SC)cc(-c2ccc(OCCSC)cc2)oc1=O 28351037 FBDGBBQVNXAUBB-UHFFFAOYSA-N 366.460 3.557 0 1 FHAF O=c1c2cc(F)c(-c3cccnc3F)cc2n(C2CC2)c2snc(O)c12 28571069 BGWYQEFQCMRJGY-UHFFFAOYSA-N 371.368 3.992 0 1 FHAF COc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1OC 34338714 ACBZBWFKUGVGRC-UHFFFAOYSA-N 374.400 3.894 0 1 FHAF O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccncn1 40873779 OWKPHMPBNROLMW-UHFFFAOYSA-N 366.384 3.616 0 1 FHAF Cc1cnc(NCC2CCCCC2)nc1NCC(=O)Nc1ccccc1 45193536 ZGDMIZYPHZWPGY-UHFFFAOYSA-N 353.470 3.828 0 1 FHAF CCCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1 73152405 ATUHSDZYVLXHIQ-UHFFFAOYSA-N 353.447 3.606 0 1 FHAF CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCOC 82188734 YZXIOQLRIFSVSE-HNNXBMFYSA-N 353.470 3.641 0 1 FHAF Cc1ccnc(NC(=N)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 95570040 PFKOSOWYEZIJNB-UHFFFAOYSA-N 363.387 3.578 0 1 FHAF Cc1cccc(C)c1N1CCN(CC[C@H](OC(N)=O)c2ccccc2)CC1 95578464 RHQVQAMQVAIHOE-FQEVSTJZSA-N 367.493 3.652 0 1 FHAF Fc1ccc(CN2C[C@H]3N[C@H](C2)C3c2ccc(Br)cc2)cc1 100087878 VDFDMHVAVYFOKJ-IAGOWNOFSA-N 361.258 3.528 0 1 FHAF CN1[C@H]2CC[C@H]1CC(NC(=O)c1cc(-c3ccccc3)c3ccccn13)C2 100809069 PWDFOARNHNRPNG-OALUTQOASA-N 359.473 3.961 0 1 FHAF Cc1c(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cccc1C(N)=O 101363780 MCFXYDVDYPKNHH-BWTSREIZSA-N 350.462 3.668 0 1 FHAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3F)CC2)o1 103291308 WXTPSXRANBFDDO-UHFFFAOYSA-N 365.408 3.752 0 1 FHAF COc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1OC 165950204 KODIGROAYKMBJX-UHFFFAOYSA-N 370.434 3.544 0 1 FHAF CC[C@H](C)CN1CCN(c2cc(NC(=O)c3cccs3)ccn2)[C@@H](C)C1 169295967 SHPAVHNYNUXNEN-HOTGVXAUSA-N 372.538 3.952 0 1 FHAF CN1CC[C@]23Cc4nc5ccccc5cc4C[C@]2(Cc2ccc(O)cc23)C1 169350123 NJSFZRCPGDKHSE-DNQXCXABSA-N 356.469 3.855 0 1 FHAF COc1ccccc1N1CCC(N[C@@H](c2cccs2)C2CC(O)C2)CC1 230509174 FMKLSPVMZCEXSG-AEJJIKPWSA-N 372.534 3.827 0 1 FHAF CCCC[C@H]1C[C@]2(C[C@@H](CCCC)N1)C(=O)NC(=O)N2c1ccccc1 253667898 VWIMYKRRLMTELI-UPHUGPLXSA-N 357.498 3.983 0 1 FHAF CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCF)c2=O)CC1 299840818 WITSMXUOQNQBLT-UHFFFAOYSA-N 373.472 3.845 0 1 FHAF COC(=O)c1cc(Br)c2[nH]c([C@H]3CCCC(=O)CC3)nc2c1 586883918 INSHUKBEHMMXLX-VIFPVBQESA-N 365.227 3.729 0 1 FHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(O)[nH]c1CC3 586990530 YNVLXRNKXWSLAJ-UHFFFAOYSA-N 354.365 3.951 0 1 FHAF N=c1[nH]c(-c2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)cs1 587021231 JVOGEONGSGIKKA-UHFFFAOYSA-N 372.251 3.923 0 1 FHAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cs1 587021485 OCODIPAFRRTCBP-UHFFFAOYSA-N 351.435 3.692 0 1 FHAF NS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587153662 XWHVDBDNVHUADD-UHFFFAOYSA-N 367.405 3.683 0 1 FHAF N[C@@]1(c2nc3ccc(F)c(Br)c3[nH]2)C[C@H]1c1ccccc1F 587155234 IUQGGCXHMURBHQ-FVMDXXJSSA-N 364.193 3.945 0 1 FHAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(Cl)ncnc2[nH]1 587167436 NEBFWFMBOONKJG-LLVKDONJSA-N 360.780 3.514 0 1 FHAF Fc1ccc(-n2nnc(-c3nc4cc(Cl)ncc4[nH]3)c2C2CC2)cc1 587168290 HPFMARKPNWTUIS-UHFFFAOYSA-N 354.776 3.876 0 1 FHAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3c(S)nc(S)nc3[nH]2)c1 587242784 ZTDIXJJKPUAHAR-UHFFFAOYSA-N 373.507 3.972 0 1 FHAF CCOC(=O)C[C@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 587386182 TWDCUYOSZVSVGP-FQEVSTJZSA-N 357.381 3.530 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1sc(=N)[nH]c1C)O2 587414785 VZXAJCJVLSYLBI-FQEVSTJZSA-N 365.458 3.664 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC[C@H]4CCCO4)cc1)[C@@H](C2)C3=O 587452577 FIJIVKMPFBZQIS-NRJQMVOHSA-N 366.413 3.742 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(C(=O)OC)cccc31)CC2=O 587481791 SFVRDPQOJKOAPW-QFIPXVFZSA-N 366.413 3.938 0 1 FHAF CC(C)(C)OC(=O)NC1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587514148 VNOMCGXYDMKTMT-UHFFFAOYSA-N 357.450 3.957 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1O 587556542 KASNJSMUFTVNRH-OXJNMPFZSA-N 352.317 3.940 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1ncccc12 587585489 DZMUMALSTKIJPT-DENIHFKCSA-N 359.381 3.981 0 1 FHAF COC(C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC 587594012 JZGIYEVHUYLGCF-NQIIRXRSSA-N 372.417 3.758 0 1 FHAF COc1ncc(F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587731821 KYPVBLOORAOPSU-AYVTZFPOSA-N 369.209 3.755 0 1 FHAF CCOC(=O)/C=C(\C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797182 MEVYJURTMMBUBN-VJNMUNPUSA-N 370.262 3.847 0 1 FHAF COC(=O)C1=C[C@]2(CCC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587811800 XGCDCBBQXJPMQF-QGHHPUGFSA-N 368.246 3.601 0 1 FHAF O=C1CCC(c2ccccc2)(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CC1 587971293 YEUNKTAJGIAEFJ-UHFFFAOYSA-N 352.365 3.829 0 1 FHAF C[C@@]1(CC(=O)c2ccccc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962773524 XASBFUNKRVUCEC-LPHOPBHVSA-N 361.363 3.821 0 1 FHAF CCCC[C@]1(c2ccc(C(=O)OC)cc2)NCCc2nc3ccccn3c21 962983684 MDGGBXQMTBYNAF-JOCHJYFZSA-N 363.461 3.700 0 1 FHAF CC(C)(C)[C@]1(c2cc3ccccc3nc2N)NCCc2nc3ccccn3c21 962989477 QKMHMMDZLMAATN-HSZRJFAPSA-N 371.488 3.900 0 1 FHAF CCn1c(NCCc2ccc(OC)cc2)nc2cc(Cl)ccc2c1=O 1772642337 KIPCIEQNGYJSNG-UHFFFAOYSA-N 357.841 3.733 0 1 FHAF CC(C)=CCc1cc2c(c3c1[C@@H]1C[C@H](C3=O)[C@@H]1C)OC(C)(C)[C@H](O)C2=O 1857591550 YRDFJEHXATZPAY-AQAANPNCSA-N 354.446 3.846 0 1 FHAF CNC(=O)c1cc(Oc2ccc(-c3noc(C(C)C)n3)c(C)c2)ccn1 1857759356 WCMYMZDKVKNPAZ-UHFFFAOYSA-N 352.394 3.715 0 1 FHAF CC1(C)C=Cc2c(c(O)cc3c2OC[C@H]2c4ccc5c(c4O[C@@H]32)OCO5)O1 2356333833 XBRRZWFABQTPSY-GUYCJALGSA-N 366.369 3.915 0 1 FHAF COC(=O)C1=CC=C(C(C)C)CCC2=CCC[C@@](C)(OC2=O)C(=O)CC1 2356561189 SSRWHVBVQPAITB-OAQYLSRUSA-N 360.450 3.833 0 1 FHAF O=C(NCCCN1CCCC1)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4958440 NDVNRMFVHPDGAY-UHFFFAOYSA-N 371.912 3.983 0 3 FHAF COc1ccc(-c2coc3c(C(=O)N4CCN(C)CC4)cccc23)c(C)c1 61898571 VGJDOXVXJMVYMH-UHFFFAOYSA-N 364.445 3.804 0 3 FHAF COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc4occc4c3O[C@@H]1CO2 3203022 KPSZGBRARBOMHQ-QZTJIDSGSA-N 352.342 3.570 0 1 FHAF biogenic,in-vitro COP(=O)(OC)[C@@H](C)OC(=O)COc1cc(Cl)ccc1Cl 103166730 AJFVWUUOJJGGBB-QMMMGPOBSA-N 357.126 3.747 0 1 FHAF Cc1ccc(NC(=O)c2ncn(CCCNCC3CCCCC3)n2)cc1C 61922697 STKGMXUTYCARCH-UHFFFAOYSA-N 369.513 3.707 0 3 FHAF O[C@@H](CCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)cc1 27187136 BBNORVNMDRYYOB-IBGZPJMESA-N 369.440 3.603 0 1 FHAF CC(C)(C)c1ccc(C(=O)N2CC[C@]2(C)C(=O)NCc2cccs2)cc1 61927958 FJOFDQDYKUXWNE-OAQYLSRUSA-N 370.518 3.967 0 3 FHAF CCOC(=O)COc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 35950565 LDHMAMXEOOMWFG-UHFFFAOYSA-N 372.465 3.719 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2C3CC4CC(C3)CC2C4)C1 43208322 QEMGBPOATYALAI-OBYDGYHJSA-N 364.486 3.547 0 1 FHAF c1csc(-c2nc3c(NCC4CC4)ncnc3n2C[C@H]2CCCO2)c1 82180848 MXWCIPGOXKRWGA-CYBMUJFWSA-N 355.467 3.556 0 1 FHAF C[C@H](CSc1nnc(-c2ccncc2)s1)C(=O)Nc1ccccc1 473084944 UWNWUSBOCAQPIJ-GFCCVEGCSA-N 356.476 3.967 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccncc1 587862633 SRPKRBXJISVMFS-UHFFFAOYSA-N 361.323 3.855 0 1 FHAF C[C@]1(CCn2cccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345234 YWPFEBLFWASRQX-TZIWHRDSSA-N 366.392 3.936 0 1 FHAF O=C(N[C@H](c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1)c1ccccc1 587225954 ZLMMRMDPVYMWBX-HXUWFJFHSA-N 367.412 3.959 0 1 FHAF COc1ccc(-c2nc3ccc(O)cc3[nH]2)c(I)c1 587180076 KWEUOFDBRDVTDY-UHFFFAOYSA-N 366.158 3.549 0 1 FHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3c(cc2[nH]1)OCCO3 587081286 ZDCJYLUQKUXYBE-ZDUSSCGKSA-N 368.824 3.711 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1N 587862624 SCEIUKPWEGQHGY-UHFFFAOYSA-N 361.323 3.848 0 1 FHAF CCn1ncc(-c2[nH]c3cc(Cl)c(F)cc3c2N2CCOCC2)c1C 587632553 ZYBCRGFKVIYDSO-UHFFFAOYSA-N 362.836 3.989 0 1 FHAF COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586920514 MCEGNZAWPAIZKI-UHFFFAOYSA-N 371.245 3.852 0 1 FHAF COC(=O)[C@@H]1CCc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O 586990853 GWJGMTITNUSBQW-LBPRGKRZSA-N 373.408 3.820 0 1 FHAF COC(=O)C(C)(C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353127 QMANYOIVUDJGIN-UWJYYQICSA-N 372.392 3.848 0 1 FHAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1N 587747536 LVPNUGLLNMGARV-VVVCHXIZSA-N 365.246 3.803 0 1 FHAF CC[C@@]1(c2cnccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587776572 YBTXAMXNLAHKHJ-MGPLVRAMSA-N 350.235 3.566 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(Cl)cc1N 587861529 SIJNZCCTWDIVEL-UHFFFAOYSA-N 369.734 3.592 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc4c(cc31)OCCO4)CC2=O 587492653 RPTXKMYRXMFOGY-QFIPXVFZSA-N 366.413 3.923 0 1 FHAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1C 587339831 FSVLSPXPPAZZRT-FPOVZHCZSA-N 366.392 3.848 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)OC(C)(C)C)N1 587751951 CEFMOFLGZIFDKL-JOYOIKCWSA-N 373.266 3.688 0 1 FHAF COc1c(C)cc(O)n1C[C@@H](c1cccc(Br)c1)N(C)C 587938870 FATJTWWZNVJXBZ-AWEZNQCLSA-N 353.260 3.576 0 1 FHAF Cc1ccc(-c2nc([C@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)cs2)cc1 962905263 ZGXNHMQAWYOCIB-WMZOPIPTSA-N 368.433 3.946 0 1 FHAF Cc1cc(C)c([C@]2(C)c3cccc(Br)c3CCN2C)c(O)n1 963279678 IRQRABDTGWHRRH-SFHVURJKSA-N 361.283 3.918 0 1 FHAF CC[C@]1([C@H]2CN(Cc3ccccc3)CCO2)NCCc2cc(C)c(F)cc21 962094455 SRGRCGPFOCLYQC-PKTZIBPZSA-N 368.496 3.786 0 1 FHAF O=S(=O)(c1ccccc1)c1c(-n2ccnc2)[nH]c2ccc(Cl)cc12 5974649 BKKRUYRLTPWBIG-UHFFFAOYSA-N 357.822 3.840 0 1 FHAF COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)cc1F 13593275 HUALGEFDZYTFHG-AWEZNQCLSA-N 374.412 3.681 0 3 FHAF CCN(C)C(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 13681925 PFOPKKIKKJVVBI-FBIKERAHSA-N 371.521 3.704 0 1 FHAF CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 13682636 PLSQJQBMTUJOLL-CYBMUJFWSA-N 374.876 3.987 0 3 FHAF C[C@H]1CCC[C@@H](Nc2ncnc3c2nnn3Cc2ccccc2Cl)C1 13778501 YOQCHWGMJSBDOY-GXTWGEPZSA-N 356.861 3.914 0 1 FHAF Cc1cc(Nc2ccc([C@H]3CNCCO3)cc2C)ncc1Br 150049308 IASSALYJNQOLQY-MRXNPFEDSA-N 362.271 3.865 0 1 FHAF C[C@H](c1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1)N(C)C 167000851 XEDLCCZVCWCDTK-LLVKDONJSA-N 350.401 3.777 0 1 FHAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(NC5CCCC5)n4)c3c2)o1 203731692 HFUZHVLXCKATBR-UHFFFAOYSA-N 361.409 3.612 0 1 FHAF COc1cc(OC)c(OC)cc1CCc1cc(OC)c(OC)c(OC)c1 26576416 SWHBXURGXRFLBJ-UHFFFAOYSA-N 362.422 3.523 0 1 FHAF CCCCCC(=O)CC[C@H]1[C@H](CC=CCCCC(=O)O)C(=O)C[C@H]1O 2356318277 CUJMXIQZWPZMNQ-JENIJYKNSA-N 352.471 3.683 0 1 FHAF CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)cc1 4081364 WTBOOQPNLXSUKP-MJGOQNOKSA-N 372.852 3.919 0 1 FHAF C[C@H]1CCCC[C@@H]1NC(=O)CCC(=O)N1CCOc2ccc(Cl)cc21 6797538 SITVVPGXJIDFFO-ZFWWWQNUSA-N 364.873 3.541 0 3 FHAF C(\Oc1ccccc1)=C1/Nn2c(nnc2-c2cc(-c3ccccc3)n[nH]2)S1 103124956 IUHKANJFERGMGW-ATVHPVEESA-N 374.429 3.862 0 1 FHAF Cc1ccc(C(=C2[C@@H]3C=C[C@@H]2[C@H]2C(=O)NC(=O)[C@H]32)c2ccc(C)cc2)cc1 100565142 ACTMDNIAXPEGIL-MOXQZVSFSA-N 355.437 3.810 0 1 FHAF CCN(CC)C(=O)c1cccc(-c2csc([C@@H](O)c3ccco3)n2)c1 61928739 YVJMFYDEXFHXBF-KRWDZBQOSA-N 356.447 3.967 0 3 FHAF COc1ccc2c(c1)Oc1ccccc1[C@H]2SCCN1CCOCC1 25967373 FEWZQQHIZAEXEV-HXUWFJFHSA-N 357.475 3.956 0 1 FHAF CC[C@H]1C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@@H](C(C)C)C(=O)N1 100084035 CQYQOVCXZAQFHL-GJRUGPNGSA-N 372.509 3.795 0 1 FHAF Cc1cc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)ccc1Cl 29471338 HPXNDQJLHQZHPZ-UHFFFAOYSA-N 369.778 3.921 0 1 FHAF Cc1ccc(C(=O)Nn2c(S)nnc2-c2nc(C(C)C)cs2)cc1 64453853 OUMOATBPQRYVRT-UHFFFAOYSA-N 359.480 3.506 0 1 FHAF CN1N=C(c2ccc(OCCCN3CCCCC3)cc2)[C@H]2CCC[C@@H]2C1=O 72122639 ZWVLHXRFHSCJTO-PMACEKPBSA-N 369.509 3.534 0 1 FHAF COC(=O)C[C@@H](Oc1c(C)n(C)c2ccccc2c1=O)c1ccccc1 36381792 MZDVIJAIKZTPBH-GOSISDBHSA-N 351.402 3.530 0 1 FHAF c1ccc(Cn2nnnc2CNCC(c2ccccc2)c2ccccc2)cc1 73168256 GHGXIVADTDLKHM-UHFFFAOYSA-N 369.472 3.643 0 1 FHAF COc1ccc(-n2c(=O)c3ccccc3n3c(-c4ccccc4)nnc23)cc1 40892985 GUOFMTDYGOIWIZ-UHFFFAOYSA-N 368.396 3.709 0 1 FHAF Clc1cnc(Nc2ccc(N3CCOCC3)cc2)cc1-c1cc[nH]n1 71405029 UIZKCBMCRIOXTR-UHFFFAOYSA-N 355.829 3.705 0 1 FHAF COCCCNc1ncc(C(=O)N2CCCCC2)c(-c2cccc(C)c2)n1 82146104 QIPFBADCBZXOCE-UHFFFAOYSA-N 368.481 3.527 0 1 FHAF O=C(N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1cccs1 199359008 PKZZJCTXSHSNSY-HNNXBMFYSA-N 362.882 3.713 0 3 FHAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@@H]1CCOc2ncccc21 146661999 CHNTZBLFCZMPLX-CYBMUJFWSA-N 370.758 3.936 0 1 FHAF CC1(C)C=Cc2c(c(CO)c3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1 64513030 YJZULEGLRQGVFQ-UHFFFAOYSA-N 366.369 3.548 0 1 FHAF biogenic FC(F)COc1cccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 587125048 QCSOKGMUUNZMGB-UHFFFAOYSA-N 355.247 3.590 0 1 FHAF CN1CCC[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342549 FJRGDRQWIARENE-CTNGQTDRSA-N 355.409 3.745 0 1 FHAF O=C(O)Cc1c(CCC(=O)c2cccs2)nc2cccc3c2c1CC3 587358724 FFSRFUYJZFAANF-UHFFFAOYSA-N 351.427 3.838 0 1 FHAF COc1cc2c3c(c1)O[C@]1(C(Cl)=COc4cc(O)ccc41)[C@@H](C2)C3=O 587421680 QYJXESAEKGXEPH-DJJJIMSYSA-N 356.761 3.516 0 1 FHAF COC(=O)C[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990883 HLSCSQFDGSYQOI-LBPRGKRZSA-N 373.408 3.820 0 1 FHAF Nc1cc(F)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570342 VXLSPVZFQWIPMD-YLJYHZDGSA-N 351.333 3.816 0 1 FHAF CCOC[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587591916 IEDVUWBKNKWEFN-FIKMYACPSA-N 354.402 3.929 0 1 FHAF Cc1c(Br)cnc2[nH]c(C34CCC(CO)(CC3)CC4)nc12 586895718 VPVIZOQLZQRQNE-UHFFFAOYSA-N 350.260 3.613 0 1 FHAF Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)cs1 587276494 QYPYOUJSYWOLJC-UHFFFAOYSA-N 352.209 3.684 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)OCO3)N1 587835887 REPGCZRKPXUTIP-XLFHBGCDSA-N 364.214 3.941 0 1 FHAF COc1cc(OC)c2[nH]c([C@@]3(C)C=C(c4ccccc4F)NO3)nc2c1 587155219 INKXVYLHVPIVPQ-LJQANCHMSA-N 355.369 3.510 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)s2)N1 587847278 KBMWVEVHVKPYGG-JKYUHCHBSA-N 370.243 3.972 0 1 FHAF CCn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587580001 GPDGIWCZCSPQOH-XLIONFOSSA-N 350.374 3.620 0 1 FHAF Fc1ccc(-n2nnc(-c3nc4ccnc(Cl)c4[nH]3)c2C2CC2)cc1 587168280 HKUYCEHZORARIH-UHFFFAOYSA-N 354.776 3.876 0 1 FHAF CCc1cc(O)nc(SCc2nc3cc(OC)c(Cl)cc3[nH]2)n1 586966597 KMIMYHPUINQZPA-UHFFFAOYSA-N 350.831 3.575 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(C(=O)O)c1 587863305 XQORIWJFPHLXNG-UHFFFAOYSA-N 363.295 3.660 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cccnc1 587862678 VSWILMDCZSASLK-UHFFFAOYSA-N 361.323 3.855 0 1 FHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587052712 JGLZDAVFLIQCFK-SECBINFHSA-N 357.628 3.866 0 1 FHAF Clc1ccc(Br)nc1-c1nc2cc3c(cc2[nH]1)OCCO3 587005557 ZYNMNCXHZYHCJU-UHFFFAOYSA-N 366.602 3.812 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1N1C[C@H](C)O[C@@H](C)C1)O2 587392781 DDCULYZBLNEEOD-VFCRVFHLSA-N 366.461 3.897 0 1 FHAF Cc1ncc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C)c1Br 586979482 NKTKWSZGCHHMRA-AWEZNQCLSA-N 360.215 3.728 0 1 FHAF Cc1ccc(CC(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587274457 WFJAJNWVLQGAJL-UHFFFAOYSA-N 360.207 3.816 0 1 FHAF CC(C)N1C[C@H](C)[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587759331 FXDITXIYUBGMEI-XWCIJXRUSA-N 355.295 3.678 0 1 FHAF Cc1nc(N2CCC[C@@H]2C(=O)N[C@@H](C)c2cccs2)nc2ccccc12 12453355 HSYMMPVHLDHCDZ-WMLDXEAASA-N 366.490 3.846 0 1 FHAF Cc1c(C(=O)c2cccc(F)c2)c2ccccc2n1CCN1CCOCC1 13820996 PUFSLMJUXUGXMA-UHFFFAOYSA-N 366.436 3.652 0 1 FHAF CCCCCC(=O)O[C@H]1C[C@H]2[C@H](OC(=O)CCCCC)C[C@@H](C1)N2C 169351518 AZSYRDPIBWFYBO-ZJPYXAASSA-N 353.503 3.837 0 1 FHAF N[C@H]1C[C@H](N2Cc3cn[nH]c3C2)c2ccccc2[C@@H]1c1cc(F)ccc1F 208089653 SYLWVEJLFFJUCN-SESVDKBCSA-N 366.415 3.608 0 1 FHAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(-c4ccnc(N)n4)cc3o1)CO2 40861946 PZWKXWPMVNKURA-CQSZACIVSA-N 374.400 3.594 0 1 FHAF NC(=O)c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1 6716732 HTSIYFREJKWDOA-UHFFFAOYSA-N 374.322 3.885 0 1 FHAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(S)nc(N)c32)cc1 8492620 PTZVNFGJKXTNCV-ZDUSSCGKSA-N 354.435 3.570 0 1 FHAF CC[C@@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)NCc1ccc(OC)cc1 25430064 ONVQFXOABOEKRL-MSOLQXFVSA-N 374.525 3.622 0 1 FHAF biogenic CCC(=O)N1c2ccccc2OC[C@H]2CN(CCc3ccccc3)CC[C@@H]21 36190567 XJZCYMONKQXDLC-UXHICEINSA-N 364.489 3.755 0 1 FHAF Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1 45284729 WJXDNXGFJBBWTC-UHFFFAOYSA-N 370.403 3.922 0 1 FHAF Fc1ccc(Cn2c[n+](CCOc3ccc4ccccc4c3)cn2)c(F)c1 72106559 PNZXPGKOPQLUEX-UHFFFAOYSA-N 366.391 3.729 0 1 FHAF O[C@H](CNCc1c(F)cccc1F)Cn1c2c(c3ccccc31)CCCC2 73140451 AJFVBNAYZOSXSE-OAHLLOKOSA-N 370.443 3.949 0 1 FHAF COc1ccc(CNc2cc(-c3cccc(C(C)=O)c3)ncn2)cc1OC 82162043 DEKYSECTJBEXPT-UHFFFAOYSA-N 363.417 3.976 0 1 FHAF O=C(c1ccc(F)cc1Cl)N1CCn2c(-c3ccccc3)cnc2C1 95565489 NKQCTJZOIWWIBP-UHFFFAOYSA-N 355.800 3.999 0 1 FHAF CCCN(C(=O)Cn1ncc2c3ccccc3nc-2c1O)c1ccccc1C 101844031 NLSPGCGNEGFUKZ-UHFFFAOYSA-N 374.444 3.993 0 1 FHAF Cc1ccc(-n2c(SCc3cccnc3)nc3nncc-3c2O)cc1C 103970220 QFVHFYFEEYHDHF-UHFFFAOYSA-N 363.446 3.777 0 1 FHAF Cc1n[nH]c(C)c1-c1cccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)c1 219035265 FMYFKMTVYCTAAO-UHFFFAOYSA-N 356.429 3.805 0 1 FHAF CC(=O)Nc1ccccc1-c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 474609757 UPOPLMRHMSSHQV-UHFFFAOYSA-N 370.412 3.954 0 1 FHAF Cc1ccc(NC(=O)CSCCc2nc3cc4c(cc3[nH]2)OCO4)cc1 586970925 PPHVZNPHFDLQDS-UHFFFAOYSA-N 369.446 3.514 0 1 FHAF COC(=O)c1cccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005340 UJBDEICBSPUISE-UHFFFAOYSA-N 366.602 3.827 0 1 FHAF COc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587126499 YAFQJYMLULEQMI-AMIZOPFISA-N 351.332 3.743 0 1 FHAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(Cl)cc2[nH]1 587203111 NRSUCXSTUMABNE-OAHLLOKOSA-N 373.796 3.659 0 1 FHAF C[C@@]1(c2ncccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333786 CTWXBIZIMDQYQQ-YLJYHZDGSA-N 350.349 3.596 0 1 FHAF CC[C@@]1(c2cncn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345242 YYRQUVSYUNGJMH-FPOVZHCZSA-N 366.392 3.929 0 1 FHAF Cc1ccc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587386097 HSTOIIIVXPEGBW-OAQYLSRUSA-N 352.434 3.947 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(O)cccc1Br)[C@@H](C2)C3=O 587414759 XEPMDRGNYDGFMP-DYZYQPBXSA-N 361.191 3.652 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1c[nH]c(Br)c1C)[C@@H](C2)C3=O 587416705 CLZKYHYKXRRNRJ-GTNSWQLSSA-N 362.223 3.757 0 1 FHAF COc1cc2c3c(c1)O[C@@H](Cc1cccc(Br)c1)[C@@H](C2)C3=O 587420497 XQCARDRKWZXFJH-CABCVRRESA-N 359.219 3.816 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c1ccc(C)c2C 587479485 CJJKVAOPGFPOEW-OAQYLSRUSA-N 351.402 3.774 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1[nH]c(C)c(C(=O)O)c1C)CC2=O 587483402 MGJMSVMNXAZHBS-FQEVSTJZSA-N 357.406 3.868 0 1 FHAF CO[C@@H]1[C@H](C)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587600236 NEQJBMOCHHDVDL-VXMPXDOESA-N 354.402 3.784 0 1 FHAF O=C(O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611798 JQZPNOGGVZUZPR-YJBOKZPZSA-N 368.366 3.855 0 1 FHAF CCOc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587616323 BPQVWOFQUHQYHY-YJBOKZPZSA-N 369.398 3.950 0 1 FHAF C[C@H]1CN(C)[C@H](C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587763444 ZDIDGLWKWJEQEY-SHFDMQKMSA-N 355.295 3.678 0 1 FHAF COC(=O)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587809423 RILNEAFHBPZFAX-ZMNCSTGQSA-N 370.262 3.681 0 1 FHAF COc1cccc(C(=O)c2ccc(-c3nc4cc(C(=N)N)ccc4[nH]3)cc2)c1 587932145 OHICWCKBDIAJRJ-UHFFFAOYSA-N 370.412 3.754 0 1 FHAF COc1cc(OC)c([C@H]2C[C@@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 1772576275 DBXAOTZQZGEQHY-LMZVZNFKSA-N 366.429 3.598 0 1 FHAF O=S1(=O)c2ccccc2CN1c1cc(F)cc(Oc2ccncc2)c1 1772645658 AEFPXUHUHYDYKB-UHFFFAOYSA-N 356.378 3.722 0 1 FHAF CC(C)(C)c1cc(C(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)on1 1857560051 SEEMNNCNSOUAFK-ZDUSSCGKSA-N 352.438 3.868 0 1 FHAF c1ccc(CN2CC[C@@H](NCCN3CCC[C@H](c4ccccc4)C3)C2)cc1 1857601474 CCYAENBYIJKXJM-BJKOFHAPSA-N 363.549 3.730 0 1 FHAF Nc1[nH]c2cc(C(F)(F)F)ccc2c1C(=O)NCc1ccc(F)cc1 203467021 ICOQAFFWUOLOFG-UHFFFAOYSA-N 351.303 3.838 0 3 FHAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2N(C)C)c1C 833991 DHAHVLSQWCHUOO-UHFFFAOYSA-N 371.462 3.825 0 1 FHAF Cc1c(CN2CCCCC2)c(=O)oc2c3c4c(cc12)CCCN4CCC3 5798689 XQMXXCPWHPZXAK-UHFFFAOYSA-N 352.478 3.786 0 1 FHAF biogenic O=C(NCc1ccc(Br)cc1)Nc1cccc2cncnc12 13608743 HUPXBWYDCNIXNH-UHFFFAOYSA-N 357.211 3.714 0 1 FHAF in-vivo O=C(CCCCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC1CCCCC1 13725784 CJSUCKSZFYSKBS-UHFFFAOYSA-N 366.465 3.566 0 1 FHAF CCCCNCC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 28218572 KWRKDHQHGWBVGV-LJQANCHMSA-N 351.494 3.592 0 1 FHAF CCN(CC)Cc1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 28339022 MEVSAYXXKMDGIW-OAQYLSRUSA-N 369.461 3.732 0 1 FHAF Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ccc(F)cc4)CCN3C2)cc1 53275877 YBGMRLZOHGQJTB-UZLBHIALSA-N 358.432 3.944 0 1 FHAF O=c1cc(Cn2ccnc2)c2ccc(OCc3cc(F)cc(F)c3)cc2o1 66128525 AUMPZNGHFBRUEG-UHFFFAOYSA-N 368.339 3.895 0 1 FHAF CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(Cl)n2n1 72173288 YUYNOVQGOONHNT-UHFFFAOYSA-N 361.829 3.864 0 1 FHAF O=C(O)c1cc(/C=C/c2ccccc2)nc2c1cnn2Cc1ccncc1 95582830 KDVONRTXBYEDRZ-VOTSOKGWSA-N 356.385 3.743 0 1 FHAF CCOc1ccccc1C(=O)NCCCCCC(=O)Nc1ccccc1N 117587231 PMCFEYQREKJMPI-UHFFFAOYSA-N 369.465 3.596 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1ccccc1)N([C@H]1CCC[C@H]1O)CC2 261311104 XVVWFQRUJUJHLI-JQVVWYNYSA-N 353.462 3.565 0 1 FHAF Cc1c2c(n3c1CCNc1cc(C(N)=O)c(Cl)cc1-3)CC(C)(C)CC2=O 299861062 HQEPYUJWKKZMDS-UHFFFAOYSA-N 371.868 3.661 0 1 FHAF Cc1nccc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 587003266 SGLZMPXGMZWHKN-UHFFFAOYSA-N 356.227 3.621 0 1 FHAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(C(N)=O)c2[nH]1 587044862 VDJLMHXZRBXEED-UHFFFAOYSA-N 366.204 3.653 0 1 FHAF Oc1ncnc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063639 RGBGLLJYZMQREB-UHFFFAOYSA-N 352.781 3.958 0 1 FHAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cccc(OC(F)(F)F)c2[nH]1 587092914 BQCJVXZNUHZAQC-LURJTMIESA-N 355.238 3.591 0 1 FHAF COc1cccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 587145526 ZZVGYASAPRBWAX-LBPRGKRZSA-N 364.218 3.716 0 1 FHAF N[C@]1(c2nc3ccc(Br)c(F)c3[nH]2)C[C@H]1c1ccccc1F 587158981 ZKEBRIXUYCGTJE-XXFAHNHDSA-N 364.193 3.945 0 1 FHAF C[C@@H](CSc1ccc(F)cc1)c1nc2c(S)nc(S)nc2[nH]1 587170987 HOUGAWYOENWRJO-ZETCQYMHSA-N 352.485 3.965 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C(=O)c3ccccc3C)CC1)O2 587396232 QWTHGNQNKQTFNY-UHFFFAOYSA-N 364.445 3.526 0 1 FHAF CC(=O)Oc1ccc(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403865 SIDDYUIQBFINFT-NRFANRHFSA-N 353.418 3.859 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccn1CCc1ccncc1)[C@@H](C2)C3=O 587431347 OCUFIJJBADMYSC-JTSKRJEESA-N 360.413 3.623 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4cccc(C)c4)nc1)[C@@H](C2)C3=O 587436500 PYENVMZZKNZZRC-UWJYYQICSA-N 358.397 3.949 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)O)c2ccccc21 587490124 QNUTXVRMSVBUOK-VFNWGFHPSA-N 352.386 3.777 0 1 FHAF CN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]2CCC[C@@H]21 587587411 MSIFROMZKLFJTN-LQLPYNBSSA-N 365.429 3.597 0 1 FHAF CCCC(=O)O[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591857 FJRNPPKVUYUYDR-GIWSNZPPSA-N 370.401 3.844 0 1 FHAF O=C1[C@H](N2CCC[C@H](c3ccc(O)cc3)C2)CCN1Cc1ccc(F)cc1 1772608951 CVKSVTHKTSNIGJ-GHTZIAJQSA-N 368.452 3.512 0 1 FHAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1[nH]c1cnccc12 1772645584 UDVASNUDKBLKEC-UHFFFAOYSA-N 369.384 3.769 0 1 FHAF CC(C)(N=c1nc(-c2ccncc2Cl)[nH]c2cnccc12)C(F)(F)F 1857575585 GPKFECYSQTWZCI-UHFFFAOYSA-N 367.762 3.915 0 1 FHAF C[C@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnn(C)c3)nc21 1857600149 SXWUXXWVCWEUTA-GFCCVEGCSA-N 373.395 3.523 0 1 FHAF Cc1cccc(N=c2[nH]c3ccc(Oc4ncnc5c4cnn5C)cc3[nH]2)c1 1857749521 XVCVTYGAHSVGDN-UHFFFAOYSA-N 371.404 3.506 0 1 FHAF C[C@@H](c1ccncn1)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 13596916 YBUXMYHYIAJBCB-NSHDSACASA-N 363.343 3.738 0 3 FHAF O=C(Nc1ccccc1)N1CCCC2(CCN(C(=O)c3ccco3)CC2)C1 3955793 XCUXPMQNTCLPEE-UHFFFAOYSA-N 367.449 3.830 0 1 FHAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4036654 YGFPZTYEYOZJBR-IFMALSPDSA-N 371.440 3.677 0 1 FHAF FC(F)(F)C1(C(F)(F)F)N=C(c2ccncc2)OC(c2ccco2)=N1 6721321 HKLJEEKEZMOZIA-UHFFFAOYSA-N 363.217 3.719 0 1 FHAF Oc1ccc2c(c1)O[C@H](CNCCCOc1ccc3c(c1)NCCC3)CC2 12356231 JOGUPOAVWOLLLX-FQEVSTJZSA-N 368.477 3.503 0 1 FHAF COc1ccccc1CC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21 13862161 ZBHRHZGIJZRDQR-UHFFFAOYSA-N 374.392 3.595 0 1 FHAF COc1ccc([C@H]2COc3c(CC=C(C)C)c(O)cc(O)c3C2=O)c(O)c1 14762884 UWWHTKLNJDNLDI-OAHLLOKOSA-N 370.401 3.680 0 1 FHAF endogenous,in-man COc1cc(OC)c2c(c1)OC(c1ccccc1)=C[C@]2(O)C(F)(F)F 28528870 NKZKOYAVDQZGFI-QGZVFWFLSA-N 352.308 3.887 0 1 FHAF CCOC(=O)c1ccc2c(c1)C[C@@H](NC[C@@H](O)c1cccc(Cl)c1)CC2 29562484 BXTHFJVBAFRCRI-VQTJNVASSA-N 373.880 3.697 0 1 FHAF CCCCCn1c(CCCCNC(=O)OCc2ccccc2)cnc1N 72104646 QJTUNEFLIROPQW-UHFFFAOYSA-N 358.486 3.905 0 1 FHAF Cc1nn(-c2ccccn2)c(O)c1C(=O)Nc1cccc(C(F)(F)F)c1 73222286 RBLBGSNREAPGDC-UHFFFAOYSA-N 362.311 3.552 0 1 FHAF CC1CCN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc(F)cc2)CC1 82140835 QKKRQVMUWOJOQK-UHFFFAOYSA-N 368.456 3.755 0 1 FHAF O=C1Nn2c(nc3c(sc4ccccc43)c2=O)S[C@H]1c1ccccc1 84730371 PRAQTDPBTGRPNB-AWEZNQCLSA-N 365.439 3.528 0 1 FHAF COc1cccc(-c2cccc([C@@]3(c4ccncc4)N=C(C)C(N)=N3)c2)c1 95579180 JGYNJPZQUBJSBG-QFIPXVFZSA-N 356.429 3.790 0 1 FHAF CC(=O)[C@@]12[C@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@@H]1c1ccccc1)[C@@]32C 195469074 ZXKPEKZKEYGWNX-JQZONJITSA-N 360.457 3.904 0 1 FHAF C[C@@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CCC2=O 255205079 CZWCKYRVOZZJNM-IJPPCXMXSA-N 368.495 3.706 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 586916186 KXNFTVDPUWGNRD-XCLFUZPHSA-N 368.364 3.617 0 1 FHAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(O)ncnc2[nH]1 586981811 UIORFXRMSVXVLW-UHFFFAOYSA-N 370.210 3.587 0 1 FHAF Cc1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2n1 587019692 USLLROHPYNHQSJ-UHFFFAOYSA-N 355.448 3.627 0 1 FHAF N=c1[nH]c(-c2cccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2)cs1 587021034 GVSQBVLELFIQAB-UHFFFAOYSA-N 354.366 3.603 0 1 FHAF CN(C)CCOc1ccc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1 587108410 MBAJHTDVRGKEFP-UHFFFAOYSA-N 350.344 3.584 0 1 FHAF COc1cc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1C 587112194 QEEBGYZFPXPTJQ-UHFFFAOYSA-N 363.339 3.829 0 1 FHAF Cn1nnc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1C(F)F 587127934 CGHFDXDDVJMKOU-UHFFFAOYSA-N 351.666 3.968 0 1 FHAF CC(=O)Nc1cccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587241810 BAHQDDQDBLEBOY-UHFFFAOYSA-N 369.734 3.526 0 1 FHAF C[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335314 HCLWUOGUPNIILQ-ICSRJNTNSA-N 350.349 3.596 0 1 FHAF C[C@H](CC(=O)O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356052 YWAAWYJHWRSDJB-PEECDGGASA-N 358.365 3.760 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)nc(N3CCCC3)c1)O2 587387779 WWWMMXATOVOSSN-FQEVSTJZSA-N 355.413 3.592 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1OC(F)F)[C@@H](C2)C3=O 587423241 SMMVLYBGXOORFL-UGSOOPFHSA-N 362.328 3.794 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccccc1F)[C@@H](C2)C3=O 587425213 AAKGYIKGDYLAIO-RBZFPXEDSA-N 350.349 3.713 0 1 FHAF N=c1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)[nH]1 587499281 LTPRXQSJZNVXTC-LBPRGKRZSA-N 364.232 3.781 0 1 FHAF CCOC(=O)/C(=C/N(C)C)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587512735 OUFLHXVPFDGMBM-MTPVXSITSA-N 371.477 3.688 0 1 FHAF O=C(O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520402 AKARWEORPFLQPS-LJQANCHMSA-N 352.386 3.735 0 1 FHAF CCn1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587582763 QUQKNGKXDWODMM-WIYYLYMNSA-N 364.401 3.928 0 1 FHAF C[C@@]1(c2ccc(C(=O)O)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614984 FAENTSQLJKGJFE-JXFKEZNVSA-N 366.325 3.560 0 1 FHAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc1O 587773218 XTJMDKGYMPAFOO-BJOHPYRUSA-N 351.219 3.621 0 1 FHAF CCOC(=O)c1ccc2[nH]c(-c3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)nc2c1 587786293 PVYKMFBIVRXQSN-JKSUJKDBSA-N 364.401 3.683 0 1 FHAF CCOc1ccc(O)n1-c1cc(Br)cnc1Br 587941526 VVVAQZCCFOLJAL-UHFFFAOYSA-N 362.021 3.502 0 1 FHAF COc1cc(C)c(OC)n1-c1nn(COc2ccccc2F)cc1Cl 587946888 YQAYIBIFVCWXGS-UHFFFAOYSA-N 365.792 3.828 0 1 FHAF O=C(N=c1cc[nH]cc1)Nc1cc(-c2cncnc2)cc(C(F)(F)F)c1 653687977 CROUZXUJOHNNGG-UHFFFAOYSA-N 359.311 3.623 0 1 FHAF Cc1c(F)ccc2c1[C@](CC1OCCO1)(c1cc(F)cc(F)c1)NCC2 962144454 LCYQDUGJMZXOQU-FQEVSTJZSA-N 363.379 3.565 0 1 FHAF COc1cc2c(cc1OC)[C@]1(CC[C@H](O)c3ccccc31)N(C)[C@@H](C)C2 962629822 QANDLFSUWWPPEM-OSGPJOMKSA-N 353.462 3.651 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnc(SC)nc2NC)N1 962950704 SKEXAMDIQKVBNC-GTNSWQLSSA-N 353.495 3.735 0 1 FHAF CC[C@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963636068 ONYWHWFEDSSRCN-YEJXKQKISA-N 355.434 3.620 0 1 FHAF O=C(O)c1ccn(Cc2cc(Cl)cc3sc(N4CC=CCC4)nc23)n1 1772611981 GVAQXDCQPSGECJ-UHFFFAOYSA-N 374.853 3.659 0 1 FHAF CCOc1cccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)on2)c1 1857653127 YJHHHJLASUICPA-UHFFFAOYSA-N 374.343 3.696 0 1 FHAF CC[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 1541446 PDXXVIHNDXQYNR-INIZCTEOSA-N 368.433 3.996 0 1 FHAF Cc1cccc2c1cnn2C(=O)CCC(=O)N[C@@H]1CCCc2ccccc21 6750227 DHXWVAOAUMRGPT-LJQANCHMSA-N 361.445 3.959 0 1 FHAF Fc1cc(Nc2nnnc3ccc(Cl)nc23)ccc1Br 103271998 LXMJFJWGDGVDQV-UHFFFAOYSA-N 354.570 3.718 0 1 FHAF Nc1ncnc2c1c(-c1ccc(Br)c(O)c1)nn2C1CCCC1 8581908 LVUGPVDXTSJQQD-UHFFFAOYSA-N 374.242 3.659 0 1 FHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@@H](Cc5ccc(=N)[nH]c5)C4)(C[C@@H](N)[C@H]31)O2 2356505340 AYQIYMYUYUADHZ-JPNCOZATSA-N 369.553 3.908 0 1 FHAF O=C(CNC(=O)c1ccc2ccccc2c1)N[C@@H]1CCCc2ccccc21 31483491 UBIKJGRVXIINFB-OAQYLSRUSA-N 358.441 3.763 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N2C/C=C/CF 34008153 LMVDJMCDHZLBFE-BYQGVBOCSA-N 351.849 3.975 0 1 FHAF CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)N2CCCCC2)cc1 61907238 UNPZBWFVRBMBJZ-JOCHJYFZSA-N 356.510 3.530 0 3 FHAF CCO[C@H]1[C@@H](CO)O[C@@H](c2ccccc2)O[C@H]1C(SCC)SCC 40380696 SYSHNFYXYYAEBN-YYIAUSFCSA-N 372.552 3.699 0 1 FHAF O=C(c1cnc(N2CCCC2)nc1-c1ccccc1F)N1CCCCC1 82160055 MNSHMALERUJVDM-UHFFFAOYSA-N 354.429 3.509 0 1 FHAF Fc1cccc([C@@H](Cc2ccccc2OC(F)(F)F)N2CCNCC2)c1 49037075 LRKGVRWKYSKWQW-QGZVFWFLSA-N 368.374 3.913 0 1 FHAF in-vitro C[C@@H]1CCC[C@@H](C)N1CCN[C@@H]1c2ccccc2OCc2ncccc21 40514684 ATMKCXWXGQDJKI-YVHKJVDXSA-N 351.494 3.916 0 1 FHAF Clc1ccccc1CSc1nnc(Cn2nnc3ccccc32)o1 96271753 OJGWNOSQXMYVJR-UHFFFAOYSA-N 357.826 3.808 0 1 FHAF Cc1cccc(-c2nccnc2C2CN(c3cnc4ccccc4n3)C2)c1 140112321 PTTRYAKGUIQQEU-UHFFFAOYSA-N 353.429 3.999 0 1 FHAF Cn1cnc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587575247 FBOFJSGAJSRYEP-DENIHFKCSA-N 372.380 3.982 0 1 FHAF Cn1cc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2n1 587583754 XNPMVVDTXWFUMH-DENIHFKCSA-N 372.380 3.982 0 1 FHAF Cc1cccc(COc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)c1 587560043 UZHNEYHDELDBNT-UHFFFAOYSA-N 359.385 3.990 0 1 FHAF FC(F)(F)Oc1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587024874 GFNMKSCDDNKXLX-UHFFFAOYSA-N 364.399 3.894 0 1 FHAF O=S(=O)(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C1CCCC1 586924305 OZDUDQPZPGALOH-UHFFFAOYSA-N 350.337 3.578 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(N)ccc32)N1 587747880 SRLOINOGVBZTNV-YPMLDQLKSA-N 361.258 3.894 0 1 FHAF CCOC(=O)[C@@H]1CCSCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587538117 NPENGHDQPBMFQK-LAUBAEHRSA-N 374.502 3.976 0 1 FHAF O=C(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)OCc1ccccc1 587781440 JRYNVDPZBQVOGR-UHFFFAOYSA-N 350.296 3.747 0 1 FHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3c(cc2[nH]1)OCO3 587078750 AXPBYZHOENDQSW-GFCCVEGCSA-N 354.797 3.669 0 1 FHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)cnc2[nH]1 587176025 ZLLSATMNLPAFCF-GFCCVEGCSA-N 374.217 3.583 0 1 FHAF Cc1c(O)ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587608638 MDFNTHNBVPGYOZ-UWJYYQICSA-N 364.353 3.815 0 1 FHAF CNc1ncccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587746169 YOPPMKRBDPJRTR-RFAUZJTJSA-N 350.235 3.649 0 1 FHAF CN1CCN(c2ccc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)CC1 586887337 HZSSTYJJKORWFH-AUSIDOKSSA-N 358.489 3.686 0 1 FHAF Fc1cnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 586997365 BPAZTWDCNRMSFY-OWOJBTEDSA-N 362.158 3.759 0 1 FHAF Nc1ncnc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587068850 ARWQSVDYAZJDAE-UHFFFAOYSA-N 351.797 3.835 0 1 FHAF CC[C@@H]1OCCC[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 586910223 HIZSBFCUPDKSND-MFKMUULPSA-N 367.243 3.785 0 1 FHAF Cc1cnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]1 587345043 IHKCMPJKHDUVIY-FXAWDEMLSA-N 352.365 3.837 0 1 FHAF COCCCN1CCc2ccc(OC)cc2[C@@]1(CCCC(=O)O)C(C)C 961318099 FQEYNSVPHMEJSZ-OAQYLSRUSA-N 363.498 3.696 0 1 FHAF Oc1ccc(-c2cnc3[nH]cc(-c4ccc(-c5nn[nH]n5)cc4)c3c2)cc1 1772588115 QZIYOWZOZNSBGJ-UHFFFAOYSA-N 354.373 3.783 0 1 FHAF CCOC(=O)Nc1ccc(NCc2ccccc2C(F)(F)F)nc1N 1772644660 YWLZEAHFPPGESP-UHFFFAOYSA-N 354.332 3.863 0 1 FHAF Cc1cc(=O)oc2c3c(ccc12)O[C@H](c1cc(F)c(F)cc1F)[C@@H](N)C3 1772588851 MXZDPLKXVPVWMV-HNAYVOBHSA-N 361.319 3.522 0 1 FHAF Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)NC2CC2)C1 5044169 PTHDZJJHDQTVDP-HNNXBMFYSA-N 373.884 3.794 0 3 FHAF CCc1ccc(-c2cn3c(C(=O)N(C)C4CCOCC4)csc3n2)cc1 12306772 VLSVFHACIDZACT-UHFFFAOYSA-N 369.490 3.876 0 1 FHAF Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)c1c[nH]nc1C 12430240 OUOBARFMIPCZIC-QGZVFWFLSA-N 363.465 3.656 0 3 FHAF COc1ccccc1[C@@H](O)c1nc(C(=O)Nc2ccc(F)cc2)cs1 206016476 OIVQGYFVTDYZJD-MRXNPFEDSA-N 358.394 3.625 0 3 FHAF CCc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)cn2)cc1 1857774948 KKKCLPAOYWIIOC-UHFFFAOYSA-N 366.417 3.692 0 1 FHAF Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@H]1CNOC1 8582025 FZLOALBUJDUYTI-HNNXBMFYSA-N 373.416 3.549 0 1 FHAF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)[C@@H](O)CC2)cc1 29571207 JOWKIRVQELRPBY-KRWDZBQOSA-N 356.418 3.787 0 1 FHAF C[C@@H]1[C@H](Cc2ccc3c(c2)OCO3)O[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1C 2356603815 LAESRKLDVMTTQV-YKLJGAPNSA-N 368.429 3.969 0 1 FHAF Cc1c(O)nc(-c2ccc(CN3CCSCC3)cc2)nc1C(F)(F)F 20774725 RWFBLQNKLRGHTJ-UHFFFAOYSA-N 369.412 3.725 0 1 FHAF c1ccc2nc3c(nc2c1)c1ccccc1n3CCCCN1CCOCC1 31848155 WLBBHFMJVCMOTK-UHFFFAOYSA-N 360.461 3.850 0 1 FHAF C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075250 BWHIDELHAOMALD-QTGUNEKASA-N 350.506 3.876 0 1 FHAF CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCc2ccccc21 84669448 WJPODXNCZRPNIO-RTWAWAEBSA-N 363.457 3.623 0 1 FHAF CCCCCNc1ncnc2c1nc(CCC)n2CC[C@@H]1CCCN1C 82186858 JFRXFTTWOWEKOW-INIZCTEOSA-N 358.534 3.865 0 1 FHAF CSc1ccc([C@H](O)c2nnc(Nc3ccc4c(c3)OCO4)s2)cc1 82078339 WMIMYCMXOBRANW-HNNXBMFYSA-N 373.459 3.814 0 1 FHAF CCCc1ccccc1OS(=O)(=O)c1ccc(NC(=O)NCC)cc1 95557530 ZCKYDLPTUFSQGO-UHFFFAOYSA-N 362.451 3.548 0 1 FHAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 261115689 IRVGZJHWMUWHKA-HAGHYFMRSA-N 370.493 3.699 0 1 FHAF O=C(N[C@H]1C[C@@H]1c1ccccc1)c1n[nH]c2ccc(-c3cccnc3)cc12 2382216691 MUJCJYXCJZCTGK-XLIONFOSSA-N 354.413 3.911 0 1 FHAF CC1(C)C=Cc2c(c(O)cc3c2OC[C@@H]2c4cc5c(cc4O[C@H]32)OCO5)O1 40393093 JEDDWGYBFZMEOV-BFUOFWGJSA-N 366.369 3.915 0 1 FHAF biogenic O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCOCC2)s1 299820656 HZWQBWRQZUCRHI-UHFFFAOYSA-N 370.396 3.851 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc12 587052789 MSYWNTMXQNHCFU-UHFFFAOYSA-N 352.781 3.856 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCOc4c(F)cc(F)cc41)[C@@H](C2)C3=O 587428483 OWXMWULYMZYKEF-RBZFPXEDSA-N 358.340 3.789 0 1 FHAF COc1ccc([C@@H]2C[C@@]3(CCO2)CC(=O)c2cc(C)cc(N)c2O3)cc1 587415086 YNIJMDFTNMKMGC-PZJWPPBQSA-N 353.418 3.842 0 1 FHAF CC(C)COc1cccc(OCc2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 587565427 AEUPBQXZWHKKRS-LJQANCHMSA-N 354.410 3.900 0 1 FHAF O=C(Cc1ccc(F)cc1)c1c(CO)oc2cc(Br)cnc12 587276509 RFKLLIDGJKUCCG-UHFFFAOYSA-N 364.170 3.647 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1c(N)sc3c1CCOC3)CC2=O 587492689 BNLYPNCRUNKDTQ-FQEVSTJZSA-N 373.474 3.942 0 1 FHAF COc1ccc(-n2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 587392702 WBQHICMPPCZWND-NRFANRHFSA-N 363.417 3.652 0 1 FHAF C[C@]1(CCCN2C(=O)c3ccccc3C2=O)NCCc2cc(Cl)ccc21 963390862 NSWPZHKWNHDHTO-OAQYLSRUSA-N 368.864 3.777 0 1 FHAF CC[C@@H](CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1 1772604782 FFUSQJICVQGRSZ-AWEZNQCLSA-N 368.416 3.681 0 1 FHAF CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(CC)cc3)n12 1772642186 YAJLDHWTJDUIRD-UHFFFAOYSA-N 362.437 3.543 0 1 FHAF Cc1nn(Cc2ccc(-c3nc4ccccc4[nH]3)cc2)c(C)c1CC(=O)O 1772629628 DOWCIDHJZBHVTH-UHFFFAOYSA-N 360.417 3.719 0 1 FHAF COC(=O)c1cc2sc(Cl)cc2n1CC(=O)N(C)C1CCCCC1 5084818 LESDRAFKCQQNFB-UHFFFAOYSA-N 368.886 3.934 0 1 FHAF COc1ccc(-c2c(C(C)=O)c(C)nc3sc4c(O)nnnc4c23)cc1 13108886 GEDMFGNDCUYCGJ-UHFFFAOYSA-N 366.402 3.527 0 3 FHAF CCCOc1ccnc(C[S@@](=O)c2nc3cscc3[nH]2)c1Cl 13448648 BLVFAOONFNHCTH-QFIPXVFZSA-N 355.872 3.769 0 1 FHAF CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 169337283 ROECGAWNHRGIRN-YDPGBSGYSA-N 364.482 3.539 0 1 FHAF COc1cccc(CN(Cn2c(=O)oc3cc(Cl)ccc32)C2CC2)c1 169341747 SQDHYEFTYCWWNE-UHFFFAOYSA-N 358.825 3.879 0 1 FHAF CCOC(=O)c1[nH]nc([C@H](O)c2ccc(Cl)cc2)c1-c1ccccc1 169690325 DQSXYWMBEIWOES-GOSISDBHSA-N 356.809 3.989 0 1 FHAF COc1nsnc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1857656801 XMPFGRKHZPPEOQ-UHFFFAOYSA-N 371.262 3.837 0 1 FHAF C[C@H]1C=CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3cccs3)C(=O)[C@H]12 4950481 ITBIMKNRHQWUBG-OGHNNQOOSA-N 367.426 3.669 0 1 FHAF CCN(CC)c1ccc2cc(-c3n(C)c4ccccc4[n+]3C)c(=O)oc2c1 5139516 WLMBBHKEDKVSJO-UHFFFAOYSA-N 362.453 3.622 0 1 FHAF CN1C=[N+](C)[C@@H](c2ccc(O)cc2Cl)[C@H]1c1ccc(O)cc1Cl 13559441 MPPLLILSYBKFOY-CALCHBBNSA-O 352.241 3.803 0 1 FHAF Cc1c(N2CCc3ccccc3C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 13605021 DBORKZSZFHTQIL-UHFFFAOYSA-N 374.440 3.906 0 1 FHAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCO 13645664 DISFYRJMFSOUIM-SREVYHEPSA-N 374.433 3.653 0 1 FHAF Cc1noc(NS(=O)(=O)c2ccc(NCc3ccccc3)cc2)c1C 13734240 HADQVLLXWGMTEP-UHFFFAOYSA-N 357.435 3.704 0 1 FHAF CN1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(CN)ccc43)cc12 26479768 HSEWUGOOPIEKBZ-QGZVFWFLSA-N 359.477 3.602 0 1 FHAF C[C@H]1CN(c2ccccc2Sc2ccc(F)cc2)[C@@H](C)CN1CC(=O)O 28352118 MKKFPVZTAAVTDJ-GJZGRUSLSA-N 374.481 3.961 0 1 FHAF O=C1[C@H]2CCCC[C@H]2N=C(c2ccccc2O)N1CCc1cccc(F)c1 28522403 ZUJOBRTTXXDEKQ-PKOBYXMFSA-N 366.436 3.922 0 1 FHAF CC(C)[C@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 28572420 PEUBMPVLEUTSNQ-PMACEKPBSA-N 372.415 3.621 0 1 FHAF CCC[C@H](CC(C)C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 40413702 RHELHJJFXAHYCK-VXGBXAGGSA-N 353.937 3.503 0 1 FHAF CC(C)N(CC[C@](CCn1cccc1)(C(N)=O)c1ccccc1)C(C)C 40822682 BECIZJDMJJYFIJ-QFIPXVFZSA-N 355.526 3.810 0 1 FHAF CC(C)N(CC[C@@](CCn1cccc1)(C(N)=O)c1ccccc1)C(C)C 40822685 BECIZJDMJJYFIJ-JOCHJYFZSA-N 355.526 3.810 0 1 FHAF C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C(=O)O)cc2)S1)c1ccc(F)cc1 40866918 BXUAKBHVBBSTCT-WLRWDXFRSA-N 372.421 3.719 0 1 FHAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc2c1 64526529 BITOVZIDEAIQGL-UHFFFAOYSA-N 367.405 3.683 0 1 FHAF Cc1[nH]c2ccccc2c1-c1ccnc(N2CCN(c3ccccn3)CC2)n1 72107063 ONUYJQFXGBVWOF-UHFFFAOYSA-N 370.460 3.655 0 1 FHAF O=C(O[C@H]1C[C@H]2C[C@@H]1C[C@@H]2n1cnc2c(Cl)ncnc21)c1ccccc1 84615653 LFNDXIWNKYRRHL-KBXIAJHMSA-N 368.824 3.676 0 1 FHAF O=C1C[C@@H](c2ccccc2)C(=O)N[C@H](c2ccc(F)cc2)C/C=C\CCN1 95662350 YHFBHRVUAXHCKC-YZRREWJWSA-N 366.436 3.623 0 1 FHAF O=C1CC[C@@H](O[C@H]2CCC(=O)c3c(O)ccc(O)c32)c2cccc(O)c21 205004652 KIEFPUWMUYYZOR-SJORKVTESA-N 354.358 3.555 0 1 FHAF Cc1[nH]nc2c1[C@@H](c1ccc(F)cc1)c1c(nc3c(c1N)CCCC3)O2 299829535 VSGLZYUVIZEGKJ-MRXNPFEDSA-N 350.397 3.999 0 1 FHAF C[C@H](O)c1ncc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)s1 587020932 DILALGCCEJXZSD-VIFPVBQESA-N 351.435 3.571 0 1 FHAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncnc(N)c4[nH]3)c21 587030959 MTHACMLVDMBECQ-JTQLQIEISA-N 350.451 3.894 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3cccc(Nc4ccc(O)cc4)c3)nc12 587242184 IIUOEFJIEMOJRT-UHFFFAOYSA-N 360.373 3.861 0 1 FHAF Cc1cnn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587339816 FRLSVMZHGLMEKD-CTNGQTDRSA-N 366.392 3.854 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(N4CCCC4)c1)[C@@H](C2)C3=O 587422549 FEMSMGUYJYMWFP-BTYIYWSLSA-N 353.393 3.923 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(C(=O)OC)c1)CC2=O 587479044 MBDTUJPKMUVNMJ-LJQANCHMSA-N 370.401 3.846 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1O[C@@H](C)C(=O)O)CC2=O 587487557 WDHVNCOXIXDNKV-HXPMCKFVSA-N 370.401 3.903 0 1 FHAF Cn1ccc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575223 DSKLDAXCGRLGPG-DENIHFKCSA-N 361.397 3.924 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnn1CC1CC1 587579639 FDHKKAWXYOGFSO-RXVVDRJESA-N 362.385 3.702 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn2ccccc12 587589494 XBUCJLHSROKZTP-WIYYLYMNSA-N 358.353 3.743 0 1 FHAF O=C(COc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659899 IZPGYYIBGCCSQW-UHFFFAOYSA-N 374.371 3.922 0 1 FHAF Cc1cnc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587769348 FUWURSJQLGEANJ-XLFHBGCDSA-N 364.262 3.793 0 1 FHAF COC(=O)c1ccoc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587829277 PYZVFENNGWQXEI-RTHLEPHNSA-N 368.202 3.591 0 1 FHAF COc1ccc(/C=C\Cc2nc3cc4c(cc3[nH]2)OCCCO4)c(OC)c1 587930638 UBWABJCDLPZQEE-HYXAFXHYSA-N 366.417 3.997 0 1 FHAF CC(C)N(C)c1nc2cc(C(=O)O)c(O)cc2nc1-c1ccc(F)cc1 653683851 LFLQRZMEKFBWRL-UHFFFAOYSA-N 355.369 3.684 0 1 FHAF O=C1Nc2ccc(Br)cc2[C@]12Nc1ccccc1-n1cccc12 653693456 SYIBGNNZGQLMTD-GOSISDBHSA-N 366.218 3.861 0 1 FHAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1cn2c(n1)SCC2 962711512 PNEWBMNPVWGHTO-SJCJKPOMSA-N 361.511 3.581 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2ccc(Cl)c3cccnc23)N1 962894444 JGFUHSVBPIEGIC-YJBOKZPZSA-N 356.784 3.716 0 1 FHAF COc1c(C)c(OC)c2c(=O)c3c(oc2c1C)-c1c(O)cccc1CO3 1857597809 ZYWHSHMVTBPLKF-UHFFFAOYSA-N 354.358 3.692 0 1 FHAF O=C(O)CCc1ccc(NC[C@H]2COc3ccc(Cl)cc3O2)cc1F 1857648705 QOBCVDFRFSGSQI-AWEZNQCLSA-N 365.788 3.748 0 1 FHAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1cc(F)cc(F)c1 2356320185 LKDYIWDJQMVDTK-FRQCXROJSA-N 351.437 3.818 0 1 FHAF COc1cccc2c1N(C(C)=O)[C@@]13CCC[C@@]4(CCCN5CC[C@@]21[C@H]54)CC3 2356341522 QUJGDBXRYRHXEW-ODAXIHTASA-N 366.505 3.871 0 1 FHAF CCCCOCCC[C@H](C)[C@H](O)[C@H](C)C(=O)C(C)(C)C=CC(=O)OC 2356706959 CLECXPHLYXJGEV-BQFCYCMXSA-N 356.503 3.541 0 1 FHAF Cn1ccnc1[C@@H]1CCCCN1Cc1nc(-c2ccc(Cl)cc2)no1 13594805 UTBVYGQOBOBRPJ-HNNXBMFYSA-N 357.845 3.851 0 3 FHAF Cc1ccc(CN2CCCC[C@@H](NC(=O)Nc3ccccc3)C2=O)cc1 200053631 UNKCAOBTVIKERJ-LJQANCHMSA-N 351.450 3.698 0 3 FHAF Nc1ccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)cc1 101075462 UYPHARKHGBWYIP-UHFFFAOYSA-N 364.470 3.861 0 1 FHAF COc1ccc(-c2c3c(c(O)c4cc5c(cc24)OCO5)COC3=O)cc1 103221120 ZUSOWNWAJGDSHC-UHFFFAOYSA-N 350.326 3.620 0 1 FHAF CC12CCCc3cc(C(=O)Nc4ccc(C(=O)O)cn4)cc(c31)CCC2 59027705 HMBVSKXJOJYFLK-UHFFFAOYSA-N 350.418 3.962 0 1 FHAF CCCCC[C@H](O)C=C[C@H]1C(=O)CC(=O)[C@H]1CCCCCCC(=O)O 2356400802 KJWZYMMLVHIVSU-YESZJQIVSA-N 352.471 3.683 0 1 FHAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc(F)cc3Cl)C[C@@H]12 74377164 DLRCQNNHRCBDLA-NVXWUHKLSA-N 358.800 3.663 0 3 FHAF COc1ccc([C@](C)(O)c2nc(-c3coc(C=O)c3)nc3ccccc23)cc1 1911585767 QBRGITCLHLCSEU-QFIPXVFZSA-N 374.396 3.967 0 1 FHAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@H]1c1ccccc1 49112995 SHPWXEFRRYKBDM-SFHVURJKSA-N 373.865 3.551 0 1 FHAF COc1ccc(/C=C2/N=C(c3ccccc3)N(Cc3ccncc3)C2=O)cc1 84616034 OGUUQYHDNMZDKQ-RCCKNPSSSA-N 369.424 3.920 0 1 FHAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccccc2F)C1=S 95872342 YYCRMKZMJYIGBQ-UHFFFAOYSA-N 350.415 3.619 0 1 FHAF C[C@@H](NC(=O)c1ccc([C@@]2(C)CCSC(N)=N2)s1)c1ccccc1 96174272 ZBRHNTDGQMSNFS-KZULUSFZSA-N 359.520 3.906 0 1 FHAF CC(C)N(C)C[C@@H](O)COc1ccc2cc(Br)ccc2c1 96903465 RTSPQNYEIWFBCP-MRXNPFEDSA-N 352.272 3.682 0 1 FHAF CC1(C)[C@@H]2OCCC[C@@H]2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587613404 XQJODQPIJXLMJO-XOLWZIEUSA-N 366.413 3.928 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cc[nH]n1 587866076 DRMKXXSDOCTSHA-UHFFFAOYSA-N 364.327 3.574 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cnccc2[nH]1 587592443 YRYKTZCSJDWJQO-RXVVDRJESA-N 358.353 3.971 0 1 FHAF COc1cnccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587771075 BJRDNBGMWNYFOJ-BMLIUANNSA-N 365.246 3.790 0 1 FHAF Oc1nc(NCc2ccccc2)c2nc(-c3cc(S)ccc3F)nc-2[nH]1 587141000 MCDRGXJONBJNFH-UHFFFAOYSA-N 367.409 3.717 0 1 FHAF N=c1[nH]c(-c2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)cs1 587020828 FPWKZLJHSAPMGW-UHFFFAOYSA-N 372.251 3.923 0 1 FHAF Cc1ccn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587345086 YITWHHDGTDRREC-TZIWHRDSSA-N 366.392 3.854 0 1 FHAF Nc1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1C(=O)O 587248056 BAVACYMKUGSPRE-UHFFFAOYSA-N 372.253 3.559 0 1 FHAF COc1cncc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587774029 LAXJONSEIUNIRE-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF Cc1ccnc2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc12 587019442 NCQWHHCFKPEVLC-UHFFFAOYSA-N 364.434 3.958 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(OC(F)(F)F)c1)O2 587381678 HVHTULVBJCXOAB-CQSZACIVSA-N 353.296 3.888 0 1 FHAF O=C(c1cn2cc(Cl)ccc2n1)n1nc2cc1Oc1ccc(F)cc1-2 587874135 QPIJGOQRZYEZPI-UHFFFAOYSA-N 354.728 3.785 0 1 FHAF COC(=O)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1OC 587781212 SNJUNWUZCOTSHP-RMKNXTFCSA-N 352.390 3.588 0 1 FHAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c(OC)n1 587518479 JDXFVYLZGCSELJ-QGZVFWFLSA-N 369.417 3.693 0 1 FHAF CO[C@@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 587953087 ZGKKUTFBLAYXPT-UNXYVOJBSA-N 368.380 3.962 0 1 FHAF COC(=O)c1cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2cn1 587242362 RBHKKIXWTYWREU-UHFFFAOYSA-N 366.421 3.786 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(C(OC)OC)ccc1F)[C@@H](C2)C3=O 587423989 MTUDZRKAGVGHBB-IFXJQAMLSA-N 358.365 3.614 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)O)cs2)N1 587850565 ZVQMYUIOJZUAKO-NXSYQRQQSA-N 370.243 3.972 0 1 FHAF N[C@@H](Cc1nc2cc(Br)cnc2[nH]1)c1ccccc1Cl 587057803 RRPYOHQURGDFSJ-NSHDSACASA-N 351.635 3.616 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc([C@@H]4CCCO4)s3)c3cccc1c32 963038579 WISRMALRSIGJJK-UFAGZECESA-N 354.475 3.742 0 1 FHAF Cc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1 1772576884 YBOSMXKKLRKHMB-UHFFFAOYSA-N 363.352 3.616 0 1 FHAF COc1cc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)ccc1F 12308212 GBDHEMKTAOGTMK-QGZVFWFLSA-N 352.413 3.582 0 1 FHAF Cc1ccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 169303455 LECKTLMECIFBIX-UHFFFAOYSA-N 365.307 3.502 0 3 FHAF O=C(Nc1cccc2c1C[C@H](O)C2)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 169704951 HQLJSFBVHMPCSV-ZTFGCOKTSA-N 354.425 3.743 0 1 FHAF CC[C@@H](C)[C@@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204407601 PCTXAJKBMRKWDZ-MLGOLLRUSA-N 353.388 3.659 0 1 FHAF COc1cc(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc(OC)c1OC 1857656451 HBRCICMCIIANAH-UHFFFAOYSA-N 372.808 3.783 0 1 FHAF COc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccccn2)CC3)cc1 3955694 YIIOHHJPSDULCE-UHFFFAOYSA-N 365.477 3.613 0 1 FHAF CC(C)(C)NC[C@@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 28092449 NNIJRQRELAVKTJ-OAHLLOKOSA-N 371.506 3.933 0 1 FHAF CCc1ccc(S(=O)(=O)NC2[C@H]3CC[C@@H]2Cc2ccccc2C3)cc1 28359014 UXSIKYQTNHPCAO-PMSBKCLSSA-N 355.503 3.721 0 1 FHAF O=C(Nc1ccc(F)cc1)N1CCN(Cc2cnc3ccccc3c2)CC1 35814331 SEUUQSNGCKYOCJ-UHFFFAOYSA-N 364.424 3.724 0 1 FHAF NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1 36382084 UIWVSQZINWPFRZ-UHFFFAOYSA-N 354.679 3.853 0 1 FHAF CC(C)(C)OC(=O)N1CCN(C(=O)CCCC2=CCc3ccccc32)CC1 45358518 RMTVWNFPNFHYQA-UHFFFAOYSA-N 370.493 3.876 0 1 FHAF CCCC(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12 63298304 RVSKJUNTDGBSSS-UHFFFAOYSA-N 360.421 3.608 0 1 FHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@@]21C 86004354 PRKBLPCDOOARTE-OYMPBJRDSA-N 362.466 3.871 0 1 FHAF biogenic O=C(Nc1ccnc(Oc2cncnc2)c1)c1cccc(Br)c1 96175648 OHUBCQFRKYHSES-UHFFFAOYSA-N 371.194 3.679 0 1 FHAF CN1[C@@H]2CC[C@@H]1CN(CCOC(c1ccccc1)c1ccccc1)CC2 100870019 FKQLYFBPTBVTRD-FGZHOGPDSA-N 350.506 3.961 0 1 FHAF O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)c1ccccc1)c1ccccc1 263620298 CAELFFAMXVUOKR-WOZUAGRISA-N 351.446 3.572 0 1 FHAF in-vitro COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12 473110894 XCCRMYVOJIFMED-UHFFFAOYSA-N 350.827 3.868 0 1 FHAF O=S(=O)(/C=C\c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1 586923905 ABDGMWOWDSUEHK-SREVYHEPSA-N 354.218 3.709 0 1 FHAF CCS(=O)(=O)c1ccc2[nH]c(-c3nc4ccc(OC)cc4s3)nc2c1 587035958 XXEPEVGRNVHRIN-UHFFFAOYSA-N 373.459 3.642 0 1 FHAF Fc1cc2c(c(Cc3nc4c(Cl)cnc(Cl)c4[nH]3)c1)OCOC2 587170682 DVFPRAMXONROND-UHFFFAOYSA-N 354.168 3.861 0 1 FHAF CC(=O)O[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351290 UCNSXABOCWQGGB-TZFGQJNGSA-N 358.365 3.601 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1ccc(F)cc1)O2 587386468 ZCEKXQUGBLHFSN-HXUWFJFHSA-N 357.381 3.832 0 1 FHAF C=CN1CC[C@@H]([C@]2(CSC)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587531108 FTSFYSSNPSFVFN-DYESRHJHSA-N 371.502 3.624 0 1 FHAF CC(C)n1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587579219 CNCVWFUYPGWAEQ-FXAWDEMLSA-N 350.374 3.873 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(CC(F)F)n2)N1 587713423 CWBJWZCSLZHIEQ-VXJOIVPMSA-N 374.204 3.673 0 1 FHAF COc1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1O 587786208 IOUYFBQUOBWEJX-UHFFFAOYSA-N 354.591 3.755 0 1 FHAF CCOC(=O)[C@@H]1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587792801 CZLFXKYNXHUYJC-RVPKQNPDSA-N 370.262 3.681 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ncccn1 587858848 NRYXRTXDDZZGAN-UHFFFAOYSA-N 363.204 3.734 0 1 FHAF COc1cccc(-c2cc(O)n(-c3ccnc(Br)c3)c2O)c1 587939261 CTZAWMJIMDPLAJ-UHFFFAOYSA-N 361.195 3.722 0 1 FHAF Cc1ncc(-n2c(O)ccc2OCc2ccccc2)nc1Br 587941871 RYUCBPRNFIQERK-UHFFFAOYSA-N 360.211 3.623 0 1 FHAF Oc1cc(-c2cccc(F)c2)c(O)n1-c1nc(N2CCCCC2)ncc1F 587946082 SDJXPIZIKADANT-UHFFFAOYSA-N 372.375 3.614 0 1 FHAF COc1cccc(C(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)c1C 653786696 OPGQLACNKDWMIZ-UHFFFAOYSA-N 373.416 3.548 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccccc1C(=O)O 962368685 BVFXUSWSFRHXKG-LJQANCHMSA-N 352.459 3.933 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1c(C)nc2c(C)cccn12 963063009 YTZOLMFFJZGCJZ-HSZRJFAPSA-N 372.472 3.917 0 1 FHAF NCc1cc(Oc2cccc(-n3ccccc3=O)c2)nc(C(F)(F)F)c1 1857545935 JZSHKZABPPZQLV-UHFFFAOYSA-N 361.323 3.502 0 1 FHAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356286688 LXXMWOMKFYVTPY-KSZLIROESA-N 366.509 3.881 0 1 FHAF COc1ccc2nc(CO[C@H]3CN(Cc4ccc(C)cc4)C[C@@H]3F)[nH]c2c1 2356302522 XNKAYVAJIXNHAL-PXNSSMCTSA-N 369.440 3.619 0 1 FHAF COc1cc2c(cc1OC)[C@@H](C(=O)c1ccc3occc3c1O)CCO2 2356431324 LNFFPTUYVDSHPV-NSHDSACASA-N 354.358 3.905 0 1 FHAF CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2ccc(F)cc2)C[C@@H]1C(C)C 2356677107 HSMAJSXGWYAANE-IRFCIJBXSA-N 374.500 3.823 0 1 FHAF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@H]1C(CO)=C[C@H]1C[C@@H](C)C[C@H]12 2356681607 ZXELCOUFXAXDQB-UHHMXVDKSA-N 372.461 3.552 0 1 FHAF C[C@@H]1Oc2c(-c3ccc(O)cc3)cnc(O)c2[C@H]2[C@@H]1C[C@@H](C)[C@H](O)[C@@H]2C 2356723188 AUGZUCOCYQVSPC-PFSYOQEPSA-N 355.434 3.677 0 1 FHAF COC(=O)C1=C[C@@]23CCCC[C@@H]2[C@H]2C[C@H]([C@H]4CCC[C@@H](C)N4)[C@@](C)(O3)[C@@H]12 2356846451 ONZIOCUDSJAMDE-OFMNFXAMSA-N 359.510 3.600 0 1 FHAF Cc1cc2nc(-c3cccnc3SCC(=O)NC3CC3)[nH]c2cc1C 1329414 QNHOEKAGSMFTQE-UHFFFAOYSA-N 352.463 3.612 0 3 FHAF Cc1ccccc1CCNC(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1 12759913 POTPNVNSNCBKSA-IBGZPJMESA-N 356.510 3.615 0 3 FHAF Cc1ccc(CN2CCCC[C@H](NC(=O)Nc3ccccc3)C2=O)cc1 200053597 UNKCAOBTVIKERJ-IBGZPJMESA-N 351.450 3.698 0 3 FHAF O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CCCCC1 2466657 HOMMVEDPAZBKRL-SFTDATJTSA-N 360.457 3.536 0 1 FHAF CC(C)=CCc1cc2c(c3c1[C@H]1C[C@@H](C3=O)[C@H]1C)OC(C)(C)[C@@H](O)C2=O 2356326605 YRDFJEHXATZPAY-CVOVGHTJSA-N 354.446 3.846 0 1 FHAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356431158 DXINWPCQBUXMER-PZGHKMNMSA-N 350.414 3.529 0 1 FHAF C[C@H](NC(=O)c1ccc(Cl)cc1)c1onc(-c2cccnc2)c1C(=O)O 2356442017 LLCQHSHNADDBSH-JTQLQIEISA-N 371.780 3.579 0 1 FHAF C/C(=C\[C@@H](O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(C)C 27882986 RGNJDHHFPNONLY-XMUITVBYSA-N 354.531 3.605 0 1 FHAF CN1Cc2cc(OCCCN3CCCCC3)ncc2[C@H](c2ccccc2)C1 28883496 PLWLFZZWHZBABG-QFIPXVFZSA-N 365.521 3.914 0 1 FHAF CC1=C(C=C[C@@]23NC(=O)CN2c2ccccc2C3(C)C)C=C2C=CC=C[C@H]2O1 2356525109 JXSGLNRZTNLMMK-ZJSXRUAMSA-N 372.468 3.892 0 1 FHAF COC(=O)C=Cc1ccc(OC(=O)C[C@H](C)OC(C)=O)c(CC=C(C)C)c1 2356635575 CCOYEMUNRDWWND-HNNXBMFYSA-N 374.433 3.629 0 1 FHAF CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C(=O)[C@H](N)CC(C)C 36215535 YICPFUCSYSAEOE-JWUVWSEFSA-N 358.526 3.597 0 1 FHAF O=C(NC1CCCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO 72176701 BASICZDGDBSUEQ-UHFFFAOYSA-N 354.328 3.525 0 1 FHAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(F)c(F)c2)cc1OC 1911570610 HQYYJMZNOUWLLO-LSDHHAIUSA-N 362.372 3.556 0 1 FHAF CN1c2cc(C(F)(F)F)ccc2CC12CCN(CC1CCOCC1)CC2 1911573080 UMUOCZAZOJKTJY-UHFFFAOYSA-N 368.443 3.959 0 1 FHAF CC(=O)Nc1nc(C)c(-c2csc(NC[C@@H](O)c3ccccc3)n2)s1 135654739 CAVBNEXXGUHPSL-CQSZACIVSA-N 374.491 3.679 0 1 FHAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@H]1CCCc2ncsc21 220892191 AOXCAPNBKDAULM-SMDDNHRTSA-N 371.289 3.720 0 1 FHAF COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)c2cccc3ccccc23)cc1 45355491 RRGGGBBOZHYRRS-ZHRRBRCNSA-N 363.457 3.881 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C\Br)cc2)C[C@@H]2CC[C@@H]1N2C 139343910 QRRDJSMVPRYYBA-HVSCLNRPSA-N 364.283 3.792 0 1 FHAF C[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@H]1c1ccccc1 195434995 QITUJUVRRULAQB-XTQVGHSUSA-N 373.456 3.803 0 1 FHAF COC1CN(C(=O)CC2(c3ccc(F)cc3)C3CC4CC(C3)CC2C4)C1 145893922 WUEWLMUHOBWRQF-UHFFFAOYSA-N 357.469 3.767 0 1 FHAF C/C=C(/C)C(=O)OC(C)(C)[C@@H]1Cc2c(cc3oc(C)cc(=O)c3c2OC)O1 146327791 KAGWZYJXIXLTRQ-GJBHZFNWSA-N 372.417 3.702 0 1 FHAF CC1(C)CC(NC(=O)c2ccc([C@@H](O)c3ccccc3)cc2)CC(C)(C)N1 145871482 UIHGZPQWPJHYJF-FQEVSTJZSA-N 366.505 3.807 0 1 FHAF Cc1cccnc1N1CCC(Oc2ncccc2C2CCOCC2)CC1 96168962 JZTZPJHNKQBURI-UHFFFAOYSA-N 353.466 3.727 0 1 FHAF Cc1cc(Oc2ncc(Cl)cc2C)ccc1-c1c(C)c(O)nc(=O)n1C 261089284 DEHCAWDRLNKXAI-UHFFFAOYSA-N 371.824 3.919 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1C(=O)OCC)CC2=O 587490822 ZNXXVGOHHKJNKC-QGZVFWFLSA-N 355.390 3.623 0 1 FHAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(F)c(F)c2[nH]1 586983998 MABWJSWVDIIHDV-NSHDSACASA-N 352.182 3.846 0 1 FHAF Cn1nnc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1C(F)F 587128316 JMBLVOUYDWCRGE-UHFFFAOYSA-N 355.348 3.875 0 1 FHAF CC(=O)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984303 PSBQSWKUMGAFNL-CQSZACIVSA-N 358.239 3.771 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccccc1C(N)=O 587862974 NSMSJHKKVVFDIX-UHFFFAOYSA-N 361.323 3.666 0 1 FHAF CCn1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587754595 FFUQIHAVHUIHDB-DYZYQPBXSA-N 366.278 3.911 0 1 FHAF C[C@H](O)c1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)s1 587021432 IDRVTTJDXXSOSZ-BYPYZUCNSA-N 359.636 3.551 0 1 FHAF Fc1cc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2cc1-n1cccn1 587017396 WBSSZPVKWNRHKL-HNNXBMFYSA-N 355.398 3.863 0 1 FHAF CC(C)n1cncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575554 FQOPMRREVMXGAL-XLIONFOSSA-N 350.374 3.873 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(CO)c2)N1 587829986 ZPXRDJJJKTVCCW-ZMZPIMSZSA-N 364.258 3.878 0 1 FHAF CCOC(=O)Cc1ccc2nc(COc3ccccc3OCC)[nH]c2c1 587780712 ZITNSTNEMQIHPD-UHFFFAOYSA-N 354.406 3.646 0 1 FHAF Cc1c(Br)cnc2[nH]c([C@H](C)Sc3ncccn3)nc12 586961797 LVJBDDLRQMRUJV-QMMMGPOBSA-N 350.245 3.672 0 1 FHAF Oc1nc(S)nc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc12 587148332 BIPIJJRYCPKKOA-CYBMUJFWSA-N 367.409 3.688 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccccc3C2=O)N1 587816801 DKAPSMUNDVIZGC-MGNBDDOMSA-N 360.226 3.757 0 1 FHAF CCc1ccccc1NC(=O)c1nc2c(Cl)cc(C(=O)OC)cc2[nH]1 587241345 UPEISQNEEGXQSI-UHFFFAOYSA-N 357.797 3.818 0 1 FHAF COC(=O)[C@H]1C(C)=Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586993263 WQXRGIDESFTDDI-INIZCTEOSA-N 357.365 3.825 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=COc1cc(O)ccc12 587605850 BEBWBECSBALXSU-KNQAVFIVSA-N 374.348 3.861 0 1 FHAF Nc1nc(Cl)c([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)s1 962701690 LMAVVELDAANPTO-TVQRCGJNSA-N 369.918 3.971 0 1 FHAF CCN(C[C@@H]1NCCc2cc3cccc(OC)c3nc21)C(=O)OC(C)(C)C 963063050 YYQMHVRHHBFFSE-INIZCTEOSA-N 371.481 3.687 0 1 FHAF Cc1cc(=O)oc2c3c(ccc12)O[C@@H](c1cc(F)c(F)cc1F)[C@H](N)C3 1772617667 MXZDPLKXVPVWMV-BEFAXECRSA-N 361.319 3.522 0 1 FHAF Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCCO 12314282 NBFOTKMXTCCZCK-UHFFFAOYSA-N 357.404 3.598 0 3 FHAF CC[C@H](C)NC(=O)c1c(NC(=O)c2cccc(C)c2)nc2ccc(C)cn12 1857621722 MOXJRERMVUODCK-HNNXBMFYSA-N 364.449 3.732 0 1 FHAF COc1ccc(N2C(=O)CN(Cc3ccc(C)cc3)C2=S)cc1Cl 1857644620 KFBAVKRBPPMSKT-UHFFFAOYSA-N 360.866 3.791 0 1 FHAF CC(=O)c1ccc(O[C@@H]2[C@@H](O)CO[C@@H]2/C=C/c2ccc(Cl)cc2)cc1 7992582 XEJQDFIMBZGRCD-QFUIONBRSA-N 358.821 3.763 0 1 FHAF Cc1ccccc1/C=C1\CNCC2=C1NC(=S)N[C@@H]2c1ccccc1C 101679967 KPMRONTYOPQSJD-KDHISYJLSA-N 361.514 3.763 0 1 FHAF O=C1COc2ccc(C(=O)c3ccccc3-c3nc4ccccc4[nH]3)cc2N1 59203505 VSZVLZXSAYSPHV-UHFFFAOYSA-N 369.380 3.792 0 1 FHAF C[C@@H](NC(=O)Cc1ccccc1C(=O)O)c1ccccc1N1CCCCC1 27559713 GHWXTHOWXJARLR-MRXNPFEDSA-N 366.461 3.795 0 1 FHAF Cc1csc(N(C)[C@H]2CCc3c(c4cc(F)ccc4n3CC(=O)O)C2)n1 118888189 PAUYXZFTMWCOTB-ZDUSSCGKSA-N 373.453 3.624 0 1 FHAF CN1CC=C(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)CC1 28133589 MGOGWDKJDBVEDO-UHFFFAOYSA-N 370.449 3.736 0 1 FHAF Cc1cc(Cl)ccc1OC[C@@H](O)CCN1CCN(c2ccccc2)CC1 29481666 FRETZXIRXVLAEV-FQEVSTJZSA-N 374.912 3.600 0 1 FHAF O=c1c2ccccc2nc2n(Cc3ccccc3)c(-c3ccccc3)nn12 28713692 LOPFEZQKOKKSPU-UHFFFAOYSA-N 352.397 3.760 0 1 FHAF Cc1cccc(C(=O)N[C@@H]2CCN3CCc4c([nH]c5ccccc45)[C@@H]3C2)c1 39246758 FXKJLDSNVRPGDV-UTKZUKDTSA-N 359.473 3.968 0 1 FHAF O=C(C[C@]1(O)C(=O)c2ccccc2-c2ccccc21)OCc1ccccc1 13462285 UNHYCIHISZXHHX-HSZRJFAPSA-N 358.393 3.871 0 1 FHAF biogenic COc1cc(C(F)(F)F)ccc1Cc1c[nH]c(C(=O)NC2CC2)c1C 1911579202 PHPIRKQCRCWCKZ-UHFFFAOYSA-N 352.356 3.834 0 1 FHAF CCCCc1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 43018918 LMIHDKFZOCIOPZ-UHFFFAOYSA-N 369.527 3.826 0 1 FHAF CCCC(=O)Nc1ccnc(NC(=O)c2ccccc2Br)c1 84668694 OKPZRQQNWQGJRJ-UHFFFAOYSA-N 362.227 3.835 0 1 FHAF CN1[C@@H]2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1[C@H](O)C2 195275211 NRKFYDQWSIYFGJ-UAFMIMERSA-N 359.416 3.667 0 1 FHAF C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)O[C@H](c2cc3c(cc2O)OCO3)[C@H]1C 238784761 YDYDLBZCPHFYFA-FMSYWXEFSA-N 356.374 3.934 0 1 FHAF CCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccccc3F)ccc1N(C)[C@H]2CO 95877856 IUNVSTYRUPPOTA-QGCDCVKKSA-N 368.452 3.603 0 1 FHAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(CCn3ncnn3)cc2)cc1 147381240 XKUCBPWVGMSFND-GOSISDBHSA-N 361.493 3.610 0 1 FHAF COC(=O)CC/C(C)=C/[C@H](O)C[C@](C)(O)/C=C/[C@H](CCC(C)=O)C(C)C 238749843 BPWLFOMOKYQCNL-OAWBHWHOSA-N 368.514 3.586 0 1 FHAF Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCCCC4)c3)nc(N)n2)o1 653767972 PBMSGYLASRAPFN-UHFFFAOYSA-N 362.433 3.920 0 1 FHAF Cc1c(Br)cnc2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc12 587158916 ZBZBRKPUWZGKPY-HWPZZCPQSA-N 361.218 3.509 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)O)CC2)N1 587828571 TZVFEZAQIPCNOY-PWGATLRDSA-N 356.235 3.593 0 1 FHAF COC(=O)C[C@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812416 ZAAUDAQVNGZPEJ-DYZYQPBXSA-N 370.262 3.681 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(/C(=C/OCC)C(=O)OCC)CC2=O 587477895 HXCUGKPAIHXAAO-IURSYISVSA-N 362.422 3.552 0 1 FHAF Nc1ncnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 587040782 QOLZZJKHCSEPDY-UHFFFAOYSA-N 360.446 3.781 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3ccnc3)c(F)c1)O2 587382467 RQUBRZZSEGZAGI-FQEVSTJZSA-N 351.381 3.783 0 1 FHAF CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587578803 BCFKSOZWBWSMDT-XLIONFOSSA-N 350.374 3.620 0 1 FHAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cnc2[nH]1 586984512 RTQVRLYZCVVBQI-NSHDSACASA-N 351.635 3.616 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(C1CCNCC1)O2 587384366 KWLVJMUVXKJGNV-NRFANRHFSA-N 354.425 3.577 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCCN(C)C)c1)O2 587388113 WNIOCCPSBLJVGE-FQEVSTJZSA-N 354.450 3.614 0 1 FHAF O=C(O)c1cc(F)cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587075111 CPTFIURPZQPNEO-AWEZNQCLSA-N 359.744 3.671 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CO)cc2)N1 587825134 FXNCVHKRQXTOLJ-QGHHPUGFSA-N 350.231 3.704 0 1 FHAF CCC[C@@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592564 AGSRINFPPCDDGG-NQIIRXRSSA-N 370.401 3.846 0 1 FHAF Cc1cc([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)oc1C 962648891 XEEQLQIWFHCVLU-FCHUYYIVSA-N 364.445 3.807 0 1 FHAF CNc1nc2cnc(-c3ccc(O)c(OC)c3)cc2n1Cc1ccccc1 74387432 OFTAWKGJGOAUEO-UHFFFAOYSA-N 360.417 3.903 0 1 FHAF C[C@@]1(c2cc(CNCCC(F)(F)F)c(F)cc2F)CCSC(=N)N1 1772652242 DCYWNJDSKJXMKI-AWEZNQCLSA-N 367.387 3.883 0 1 FHAF CC(C)CNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772639665 XAMXXGCGXYFEAO-CYBMUJFWSA-N 352.442 3.909 0 1 FHAF COc1ccccc1N1CCN(CC[C@@H]2CCc3sccc3C2=O)CC1 13471665 HIFLACAUPGVDAM-INIZCTEOSA-N 370.518 3.714 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@@H](C1CCN(Cc3ccccc3)CC1)C2 13604614 YWMHQUPMHZCBLZ-LJQANCHMSA-N 365.473 3.971 0 1 FHAF CC(C)(C)c1ccc(-c2csc(C(=O)NCC3CCNCC3)n2)cc1 1857595573 JIYZGOXNARAXTE-UHFFFAOYSA-N 357.523 3.837 0 1 FHAF CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N(C)C 769079 DSADLHQOPNXWKP-PKOBYXMFSA-N 372.852 3.919 0 1 FHAF O=C(NCCCN1CCCCC1)c1ccc2c(c1)ncn2C1CCCC1 2933296 XHLWPYCYWUKOLK-UHFFFAOYSA-N 354.498 3.757 0 3 FHAF Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)[C@@H]3CCCO3)cc12 3894497 KUJPFIKQFDLBJD-IBGZPJMESA-N 353.466 3.897 0 1 FHAF O=C1C[C@]2(CCC3=C(O2)c2ccccc2NC(=O)C3)C(=O)c2ccccc2N1 6576081 VFOYYDABULZAOF-JOCHJYFZSA-N 374.396 3.514 0 1 FHAF Cc1cccc(NC(=O)CC23C[C@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)c1 101357820 MZGTTXPXJJBPAC-FBIZOPLVSA-N 365.481 3.614 0 1 FHAF Cc1nc2cc(C(=O)N3CCOCC3)ccc2n1-c1ccc(C(C)C)cc1 50538998 ICLYAKRYXBWHFC-UHFFFAOYSA-N 363.461 3.930 0 1 FHAF COc1cc(-c2ccccc2)c(C)cc1NC(=O)c1cnn2cccnc12 113651764 KNERUIHZWUWHGF-UHFFFAOYSA-N 358.401 3.966 0 1 FHAF COC(=O)c1cccc(NC(=O)c2cnc3c(n2)C(C)(C)CCC3(C)C)c1 26827085 BWRSSBQHMYEHNB-UHFFFAOYSA-N 367.449 3.865 0 1 FHAF CCC(=O)Nc1cccc2c(OC[C@H](O)[C@H](C)NC(C)(C)C)cccc12 28768509 ILFWZUZIDVBQIT-KSSFIOAISA-N 358.482 3.705 0 1 FHAF O[C@H](CNCc1ccc(F)cc1)Cn1c2c(c3ccccc31)CCCC2 73169373 PTXHTLKEKOARDC-GOSISDBHSA-N 352.453 3.810 0 1 FHAF CN(C)CCN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 73409938 TZYDTPVLMWSHME-DFXBJWIESA-N 374.569 3.658 0 1 FHAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(n1)NC(=O)C21CCCC1 72182397 QQOGVBYJBNUFEK-UHFFFAOYSA-N 361.445 3.713 0 1 FHAF COCC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49067026 BXSCSPIJBGRDND-INIZCTEOSA-N 358.221 3.754 0 1 FHAF CC(C)CNc1ncnc2c1nc(-c1ccoc1)n2CCN1CCCCC1 82177937 VNMUJOHYEBANKQ-UHFFFAOYSA-N 368.485 3.640 0 1 FHAF O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccc2nc[nH]c2c1)CCCC3 138433790 MMKIADIJDWMOMU-UHFFFAOYSA-N 368.487 3.924 0 1 FHAF COC(=O)/C=C(\C)CCC(C)(C)C(=O)[C@H]1Cc2c(C)cccc2C(=O)O1 238784640 UDPOYGABQYSIDP-MLFXKNMZSA-N 358.434 3.571 0 1 FHAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc([C@@H]3CCCO3)c2[nH]1 299838389 QIDZULSXQRFQON-INIZCTEOSA-N 351.410 3.618 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(s1)CN(C(C)C)CC3)O2 587415901 YXJYSSMKPPSRQY-MRXNPFEDSA-N 357.479 3.507 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ncccn1)O2 587379086 SEMLJVVXPQABDJ-HXUWFJFHSA-N 365.820 3.930 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2N)N1 587750381 UBIPRLXAIUYMLJ-XYZCENFISA-N 365.246 3.674 0 1 FHAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(N)c(N)cc2[nH]1 587189900 FCBUHJHQPHZWBK-KRWDZBQOSA-N 367.453 3.684 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(C[C@@H]3CCCO3)c1C)O2 587389921 NUSOKLNOGIBURR-YWZLYKJASA-N 354.450 3.881 0 1 FHAF Cc1ccc([C@]2(CO)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587829788 YAWLNNKMMFQTBF-XIKOKIGWSA-N 364.258 3.667 0 1 FHAF O=C1C[C@@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)CN1c1ccccc1 587876542 TWWMGAZBHHHXLT-GFCCVEGCSA-N 363.348 3.488 0 1 FHAF CCOC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587799661 UCLQZBBXPYSNSF-BMLIUANNSA-N 370.262 3.681 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)no1)CC2=O 587460596 UQVUWWUXXQABPG-LBPRGKRZSA-N 352.184 3.802 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2nccn2C)(C2CC2)N1 587757834 WABSAWCBQTZTRG-BTDLBPIBSA-N 364.262 3.510 0 1 FHAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1C 587342953 QVHFNHYVRRYEGG-PZJWPPBQSA-N 366.392 3.848 0 1 FHAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 586948345 NTKASBXKTYYOLQ-UHFFFAOYSA-N 351.378 3.658 0 1 FHAF CCOC(=O)[C@@H](C)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441135 JCMWWYZQMRJOML-OLPMXTGOSA-N 366.413 3.537 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCCc4cc(C(=O)O)ccc41)[C@@H](C2)C3=O 587452378 UBJRIGDINDHCAP-HTAPYJJXSA-N 364.397 3.763 0 1 FHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnccc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239373 JQQPGYHBFXYJTG-VHPWJVAPSA-N 372.469 3.513 0 1 FHAF Cc1ccc(C)c2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc12 586928428 AUVSHDQDBAFJRV-UHFFFAOYSA-N 363.870 3.654 0 1 FHAF CCOC(=O)/C=C(\C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587798962 QLPJHPAQUBSVFU-CCKPSTLFSA-N 356.235 3.673 0 1 FHAF CCOc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528173 XUCZYQBFUZVLMO-JOCHJYFZSA-N 363.413 3.777 0 1 FHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(F)cnc(Cl)c2[nH]1 586964055 TVVQVNFKABLQFT-QMMMGPOBSA-N 353.810 3.798 0 1 FHAF N[C@H](Cc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Br)cc1 586996741 JXMIGPMTWYUHPG-GFCCVEGCSA-N 352.182 3.846 0 1 FHAF CC[C@@]1(c2c[nH]c(C(=O)OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587527902 VECMKSJBTQERKA-NRFANRHFSA-N 353.418 3.951 0 1 FHAF COC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524575 SDSZDGPDUVOCHS-HXUWFJFHSA-N 366.413 3.824 0 1 FHAF CN(C)c1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cn1 962713639 SHTUSWVIXRIBKE-FOIQADDNSA-N 357.498 3.740 0 1 FHAF Cc1cc2c(cc1O)[C@](CCc1ccccc1)(C1CCC1)N[C@H](C(=O)O)C2 963529846 ZDXLJDJHCFUUDU-REWPJTCUSA-N 365.473 3.928 0 1 FHAF CN1CCc2c(Br)cccc2[C@H]1c1cnc(Cl)cc1O 963279618 HMXFOEAXEWEVPI-HNNXBMFYSA-N 353.647 3.780 0 1 FHAF COc1ccc(S[C@@H]2CC(=O)N2C(=O)N[C@H](C)c2ccccc2)cc1 213674381 UFACELIHZSALPQ-FZKQIMNGSA-N 356.447 3.817 0 1 FHAF O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)N1CCCC1 5135568 UENLKQQNXZMZTJ-UHFFFAOYSA-N 366.490 3.519 0 1 FHAF C/C=C(\C)CN1CC[C@@]2(CCCN(Cc3cccc(OC)c3OC)C2)C1 11711642 AMOFWXXTBJPKPC-ASHOZAHZSA-N 358.526 3.958 0 1 FHAF CC(C)n1cc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cn1 12049366 JAMHPXAQYSTHNW-FQEVSTJZSA-N 361.917 3.935 0 3 FHAF O=S(=O)(Nc1ccncc1Oc1cccc(Cl)c1)C(F)(F)F 13586684 DBTIALADKQUNTD-UHFFFAOYSA-N 352.721 3.789 0 1 FHAF CCN(C)C(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 13681928 PFOPKKIKKJVVBI-LWSVHVJFSA-N 371.521 3.704 0 1 FHAF O=C(NC[C@@H]1CCCO1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959121 HKKKUFBFJIIVRA-HNNXBMFYSA-N 370.840 3.634 0 1 FHAF CCC(=O)Cn1c(=N)n(CCOc2ccc(Cl)cc2)c2ccccc21 169310415 WHKZDGNGZUEFDJ-UHFFFAOYSA-N 357.841 3.634 0 1 FHAF CC(C)C[C@H]1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21 1857655628 XNYVULHMPZSVEK-CQSZACIVSA-N 372.469 3.762 0 1 FHAF CCO[C@H]1C[C@H](C2=CCOC2=O)C[C@@H]2c3c(c4ccccc4n31)CCN2C 13309542 HUPABXKIDWFUOR-XMCHAPAWSA-N 366.461 3.599 0 1 FHAF O=C1C[C@H](c2ccnc3c(O)cccc23)[C@@H](c2ccnc3c(O)cccc23)O1 13379924 SEFQVLVYMCUORS-OPAMFIHVSA-N 372.380 3.966 0 1 FHAF biogenic CC(C)Oc1ccccc1N1CCN(Cc2cccc([C@H](C)O)c2)CC1 13743875 SVCXFQYPKFXEAC-SFHVURJKSA-N 354.494 3.849 0 1 FHAF Cc1noc(C)c1-c1ccc2ncnc(NCC3CCN(C)CC3)c2c1 13828599 WQOHSXJVRIDHOH-UHFFFAOYSA-N 351.454 3.655 0 1 FHAF C[C@H](NC(=O)/C=C/c1cccc(F)c1)c1cccc(N2CCOCC2)c1 26727844 GWDTXLWSUGQOBE-FDMDGMSGSA-N 354.425 3.553 0 1 FHAF OCCCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28091866 KXICMPQIFSWGAF-RBBKRZOGSA-N 372.459 3.542 0 1 FHAF N=C(N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)N)cc3)s2)cc1 28707652 SJHJGLPARRTXCQ-UHFFFAOYSA-N 350.451 3.693 0 1 FHAF O=c1cc(-c2ccccc2Cl)oc2cc(CN3CCNCC3)ccc12 103219206 SVVNWVDXEHFXPX-UHFFFAOYSA-N 354.837 3.519 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@H]1/C=C/c1ccccc1 136518654 UJPAOKAXEKZRNI-QJPGBWLHSA-N 355.434 3.807 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4[C@H]5CCO[C@H]5CC[C@@]4(C)[C@H]2CC[C@H]1C3 169357905 RHAGZIUYLFSMDE-QJDFYSGISA-N 362.510 3.702 0 1 FHAF COC1CCC2(CC1)Cc1ccc(OCCCF)cc1[C@@]21N=C(C)C(N)=N1 169708573 HKXVZYVBKHNCOB-LFNLJPBCSA-N 373.472 3.541 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 206271992 LERFMBCTNMFXCT-KHOSGYARSA-N 372.527 3.578 0 1 FHAF in-vitro O=C(O)[C@H](CC(=O)C1(S)CCCC1)Cc1ccc(Br)cc1 219763160 DECYMCRETQQYFY-LBPRGKRZSA-N 371.296 3.894 0 1 FHAF OCCc1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914445 LDSYIADJWBLXLO-UHFFFAOYSA-N 374.396 3.866 0 1 FHAF O=S(=O)(Cc1ccccc1-c1nc2cc(F)cnc2[nH]1)c1ccccc1 586922621 XNTSMTMWWTZURM-UHFFFAOYSA-N 367.405 3.738 0 1 FHAF COC(=O)c1cc2[nH]c(-c3ncoc3CCC(F)(F)F)nc2cc1OC 587092065 LNLVOSPSXPWHSI-UHFFFAOYSA-N 369.299 3.508 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1n[nH]c3ccc(Br)cc13)O2 587373397 UUTXGGTVRVAYFI-OAHLLOKOSA-N 372.222 3.923 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCCN(C)C)c1)O2 587388114 WNIOCCPSBLJVGE-HXUWFJFHSA-N 354.450 3.614 0 1 FHAF CCOC(=O)Cc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398231 CXYKFCLKEBWASJ-NRFANRHFSA-N 353.418 3.563 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccccc1)([C@@H]1CCCNC1)O2 587398889 GGPOWUPEBUANFA-JPYJTQIMSA-N 364.489 3.914 0 1 FHAF CCOc1c(OC)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400111 NKALDUKPQPRXEY-MRXNPFEDSA-N 357.406 3.700 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)cc(F)cc21 587472689 VDCBFDVHJQHTLY-FQEVSTJZSA-N 355.365 3.605 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(C(=O)O)c1)CC2=O 587476200 FEKIOSOOQCRQRU-SFHVURJKSA-N 356.374 3.758 0 1 FHAF CC(C)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587579550 DPGHPBHFRJCDNW-YLJYHZDGSA-N 350.374 3.873 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncn2ccccc12 587589626 WFLBCQGUURIATH-LAUBAEHRSA-N 358.353 3.743 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@H]1C[C@H]4[C@@H]3[C@H]12 587603252 LHIQDJLFHLBIRD-RNGVXTPQSA-N 372.420 3.870 0 1 FHAF COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2c(C)cc(Cl)cc12 587627493 YPDKGZRONCTNAD-UHFFFAOYSA-N 366.845 3.984 0 1 FHAF COC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1CNC(=O)OC(C)(C)C 587631166 IIKTYAZJBPNGLH-UHFFFAOYSA-N 370.808 3.701 0 1 FHAF O=C(Cc1ccc(O)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659782 DAKBMXFCPSBDPT-UHFFFAOYSA-N 374.371 3.791 0 1 FHAF C[C@H]1C[C@]2(CN1C1CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587762871 UXBUDURFBFDPJS-VGTOOOLASA-N 353.279 3.574 0 1 FHAF COc1ncc(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587766699 HCVMTRBXUOTACT-MGPLVRAMSA-N 365.246 3.924 0 1 FHAF COC(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811904 XVQVVKJBWHAPJM-MGPLVRAMSA-N 358.251 3.537 0 1 FHAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(OCCN(C)C)cc2[nH]1 587930844 PYZXOLPPQQMYLV-HTAPYJJXSA-N 365.477 3.957 0 1 FHAF COC(=O)c1ccc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2c1OC 587931757 NOMQFBVKJYRLGP-LBPRGKRZSA-N 354.406 3.713 0 1 FHAF CC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3cscn3)nc21 653713033 NSDAIDHIWWAWPP-UHFFFAOYSA-N 364.434 3.985 0 1 FHAF C[C@@]1([C@H]2CCOC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962961554 VJDPRNNHUWQLHA-YOEHRIQHSA-N 355.400 3.609 0 1 FHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc(F)c(Cl)cc2F)N1 963236411 WSPJEESGUGNCAQ-ZWKOTPCHSA-N 374.774 3.855 0 1 FHAF O=C(OCc1ccccc1)c1cc2c(OC3CCNCC3)cccc2[nH]1 1857538703 IJKRCCAAQZPFKZ-UHFFFAOYSA-N 350.418 3.656 0 1 FHAF CC1=NC[C@@H](c2cn(S(=O)(=O)c3ccccc3C)c3ccc(C)cc23)N1 1857578599 VIYGPZIYLSPDBJ-SFHVURJKSA-N 367.474 3.558 0 1 FHAF CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1cccc(O)c1 2356329413 DPEDTDJRBRBGNW-JQVVWYNYSA-N 353.462 3.942 0 1 FHAF CO[C@]12CCCC[C@@H]1[C@@H]1O[C@H](C)[C@@H](C)c3c(C)c(O)c(C(=O)O)c(c31)O2 2356552094 CTZMTGUUUISDOM-QNYVPCJUSA-N 362.422 3.887 0 1 FHAF O=C(c1ccc(Cl)cc1)[C@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 11668115 GTICNVWXCYRRSM-OFAQMXQXSA-N 354.837 3.870 0 3 FHAF COC(=O)CCC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)(C)C 199722922 IQSMHDJMCXVKKT-MAUKXSAKSA-N 369.527 3.667 0 3 FHAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCN(CC)CC 4213550 HFRWBUXBAORBRE-MOPGFXCFSA-N 363.502 3.752 0 1 FHAF COc1ccc(-c2c(C)nc3c(N4CC[C@@H](F)C4)cc(C)nn23)cc1OC 1911580660 WHZPDSQCZWMBJQ-OAHLLOKOSA-N 370.428 3.579 0 1 FHAF COc1cccc([C@H](O)c2n[nH]/c(=N/c3cccc(C(C)C)c3)s2)c1 103780755 JZNWNNCZYCSHKS-KRWDZBQOSA-N 355.463 3.917 0 1 FHAF Fc1ccc([C@H]2C[C@H]3CC[C@H](N3)[C@H]2COc2ccc3c(c2)OCO3)cc1 26575633 HAHQKXHPHSTOFJ-YSHGAJCASA-N 355.409 3.858 0 1 FHAF CCCCC[C@H](O)[C@@H](O)C[C@H]1OC(=O)c2c(O)ccc(CC=C(C)C)c21 2356509753 ZFTKJAWVCXVCCO-RYQLBKOJSA-N 362.466 3.805 0 1 FHAF O=c1c(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)coc2ccccc12 20600704 WLSVAJYZUUNDCS-OAQYLSRUSA-N 374.484 3.816 0 1 FHAF COC(=O)N1N=C(c2ccc(Cl)cc2)NN=C1c1ccc(Cl)cc1 71257166 WLAKTCJKBLKRKL-UHFFFAOYSA-N 363.204 3.688 0 1 FHAF COc1ccc2c(c1OC)-c1nccc3c(OC)c(OC)c(OC)c-2c13 14516296 OWLCQIBCVLVWHV-UHFFFAOYSA-N 353.374 3.925 0 1 FHAF biogenic COc1cccc2cc(C(=O)Nc3ccccc3-n3cccc3)c(=O)oc12 39982044 SCEWFAQCTRRMJB-UHFFFAOYSA-N 360.369 3.845 0 1 FHAF C[C@H]1CN2CCN(Cc3ccc(O)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075221 ITXRIFRTTPJIPH-XTQVGHSUSA-N 366.505 3.582 0 1 FHAF COC(=O)[C@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2N(C)C1 40374589 ISVOYYWZUYYPHT-QSFXBCCZSA-N 352.478 3.889 0 1 FHAF C/C=C/C=C/C=C/C(=O)O[C@H]1C=C[C@@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 49793107 KKQZGPSOJHPQNX-JXWOKLSMSA-N 360.494 3.713 0 1 FHAF CCN(CC)c1nc(C)nc2c(-c3ccc(OC)c(C)c3C)c(C)nn12 40403014 LOLJENIHCLYQIF-UHFFFAOYSA-N 353.470 3.880 0 1 FHAF CC(C)CN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1 82141942 PYRPIEFMJLFTEO-UHFFFAOYSA-N 356.470 3.701 0 1 FHAF CC[C@H](COC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O 42921431 NVLPUZLZJSKPGJ-CYBMUJFWSA-N 365.861 3.863 0 1 FHAF O=S(=O)(c1cccc(Cl)c1)c1cn([C@@H]2CCNC2)c2ccccc12 49114508 IYJZDLOAWKCXJN-CQSZACIVSA-N 360.866 3.662 0 1 FHAF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2ccc(F)c(Cl)c2)cc1 45301932 LDARYHYLQKXGTR-KZULUSFZSA-N 365.832 3.520 0 1 FHAF COc1cc(OC)cc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)c1 95755610 ZRKIWYLMMZVABH-UHFFFAOYSA-N 374.418 3.893 0 1 FHAF Cc1ccc(CCc2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)cc1 96906568 RIMIWCUOCDENIJ-PMACEKPBSA-N 359.473 3.727 0 1 FHAF COc1ccc2c(c1)C[C@H](Nc1cc(C)nc3nc(C(C)(F)F)nn13)CC2 2382223137 UXWIWOAVBAZMCB-CQSZACIVSA-N 373.407 3.522 0 1 FHAF CC[C@@H]1OCCC[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586914882 ZEJRHVJXGCJAKT-CABZTGNLSA-N 353.216 3.696 0 1 FHAF COC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346984 CZUTVTFGCUKRLS-UYAOXDASSA-N 358.365 3.602 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OC)c1O)CC2=O 587478905 KWNKWBFCTLKGNG-QGZVFWFLSA-N 358.390 3.774 0 1 FHAF COc1cc2c3c(c1)O[C@](c1cccc(F)c1)([C@H](C)CC(=O)O)[C@@H](C2)C3=O 587428818 QHEHTPJNBVZGNL-DBLBYYFGSA-N 370.376 3.588 0 1 FHAF CCOC(=O)Cc1ccc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2c1 586905426 OECBFASKWLUEHE-HNNXBMFYSA-N 354.406 3.607 0 1 FHAF FC(F)(F)c1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 587041698 OUOXFBXOMYAOAA-HIFRSBDPSA-N 364.396 3.923 0 1 FHAF COC(=O)c1cccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 587149200 NGSMBVDXECXLQQ-UHFFFAOYSA-N 368.343 3.695 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2N)N1 587750379 UBIPRLXAIUYMLJ-VVVCHXIZSA-N 365.246 3.674 0 1 FHAF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCO4)(C(C)C)[C@@H](C2)C3=O 587449523 BUYAWNLTSZFWJW-HTAPYJJXSA-N 350.414 3.929 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)COC3)N1 587832781 CWINUDDNSSRUHP-NSHDSACASA-N 354.263 3.908 0 1 FHAF COc1ccc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(OC)nc2c1 587394871 KVWWJDAXCMFUGJ-LJQANCHMSA-N 364.401 3.849 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cnc1NC(=O)C(C)(C)C)O2 587386548 ZNXDOGNLZNGUFG-MRXNPFEDSA-N 371.412 3.802 0 1 FHAF Clc1cc(-c2nc3nc(Br)c[nH]c-3n2)c2ccccc2n1 587085607 WQFRDWXTIPIQIK-UHFFFAOYSA-N 360.602 3.936 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(O)cc1OC(F)(F)F)[C@@H](C2)C3=O 587422670 PSBNOVYLNHZXMY-SJCJKPOMSA-N 366.291 3.788 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(-c2ccccc2F)nn1 587651832 PQQWNWFBBZEGDT-UHFFFAOYSA-N 352.756 3.635 0 1 FHAF N[C@]1(c2nc3ccc(F)c(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587155235 IUQGGCXHMURBHQ-JDNHERCYSA-N 364.193 3.945 0 1 FHAF O=S(=O)(c1ncccc1-c1nc2c(Cl)cccc2[nH]1)C(F)(F)F 587126617 DGXYPDHJHAJSKI-UHFFFAOYSA-N 361.732 3.572 0 1 FHAF N=C(N)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134405 LDRBEJHOPAZKDE-DUXPYHPUSA-N 352.266 3.713 0 1 FHAF COc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1 586997910 DWPBCSYKWSXDOG-RQOWECAXSA-N 374.194 3.628 0 1 FHAF CCOC(=O)/C(=C\N(C)C)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587512737 OUFLHXVPFDGMBM-OVWUPXBPSA-N 371.477 3.688 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587792291 BIRPGKSGJCOGMG-QAGHZCBJSA-N 370.262 3.681 0 1 FHAF COCC(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796692 UNMBLSVVRGPVDX-APPDUMDISA-N 372.278 3.579 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn3ccnc3c2)N1 587776621 YJBKTIHEADYJPW-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF COc1ccc(C)cc1C(=O)CCc1nc2cncc(Br)c2[nH]1 587785694 BDGLWPSYFIJMOB-UHFFFAOYSA-N 374.238 3.853 0 1 FHAF COc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774788 XTIDGWZXMLWQHL-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF Cc1cc2c(cc1C)[C@@]1(CCS2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963513187 ZKTAPATYIZYQRH-UWJYYQICSA-N 369.486 3.656 0 1 FHAF COc1cc(OC)c([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c(OC)c1 963097392 DZIUXNMAULRKEK-QVKFZJNVSA-N 357.425 3.961 0 1 FHAF Cc1cc2c(cc1F)[C@@](C)(c1c[nH]ccc1=NC(=O)OC(C)(C)C)NCC2 962303159 VIKZPBXMOVGDJK-NRFANRHFSA-N 371.456 3.707 0 1 FHAF COc1cccc(F)c1-c1cc(F)cc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772650157 SLEFEEHAXHDIGU-AWEZNQCLSA-N 374.343 3.938 0 1 FHAF Nc1nc2cc3c(cc2[nH]1)N(Cc1ccc2cc(CO)ccc2c1)CCC3 13451089 SLCHNYIKJBZPFO-UHFFFAOYSA-N 358.445 3.743 0 1 FHAF COc1cc(C(=O)c2cccc(-c3cccc(N)c3)n2)cc(OC)c1OC 1857566936 BPSGDEPATKCIIN-UHFFFAOYSA-N 364.401 3.588 0 1 FHAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@@H]1c1cccs1 6783187 OCBUKTRQGRFTJH-ROUUACIJSA-N 363.442 3.692 0 1 FHAF COc1cc([C@@H]2CC(c3ccc(F)cc3)=NN2C(C)=O)cc(OC)c1OC 58582009 VGCJJNGVUIZQCG-KRWDZBQOSA-N 372.396 3.549 0 1 FHAF O=C(Nc1nc2ccc(NC(=O)[C@H]3CCCO3)cc2s1)C1CCCCC1 28465370 JPXIZWVJBOTMOZ-OAHLLOKOSA-N 373.478 3.933 0 1 FHAF CC(C)c1nc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2[nH]1 26734860 AKSUWOQEYUZANW-UHFFFAOYSA-N 372.860 3.710 0 1 FHAF COc1cc2ncccc2cc1NC(=O)c1csc2cc(CO)cnc12 113652081 CDAIGUSYJLTHBH-UHFFFAOYSA-N 365.414 3.598 0 1 FHAF CCCN1C[C@H](NC(=O)N(CC)CC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 538241 FCRJELOYDVBTGW-YVWKXTFCSA-N 368.525 3.712 0 1 FHAF biogenic CCCN1CCC[C@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 49069268 AVVYPTYKGGWLGP-HNNXBMFYSA-N 358.507 3.571 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1 40423122 HXLRPJHMHZZHBD-FUHWJXTLSA-N 372.896 3.888 0 1 FHAF Cc1cc(Oc2ncccc2C2COC2)ccc1-c1c(C)n[nH]c(=O)c1C 261167846 SHBSJIPRARIGNZ-UHFFFAOYSA-N 363.417 3.663 0 1 FHAF CCOC(=O)C(F)(F)c1ccc(-c2cc3c4c(cccc4n2)CC3)n1C 587210162 HTKMZLBQRIGNBY-UHFFFAOYSA-N 356.372 3.994 0 1 FHAF CC(C)CCOC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598452 UTUZRPHOFGKLAS-UTKZUKDTSA-N 370.401 3.702 0 1 FHAF c1ccc2oc(CCc3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2c1 586907668 NNXQDEPCWFUXDR-UHFFFAOYSA-N 361.445 3.927 0 1 FHAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4CC[C@@H](N)C4)[nH]c3c2)cc1 587247456 RYIYQEPMSPMIED-UONOGXRCSA-N 351.406 3.737 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587116752 CVYVUGCMEKJICM-UHFFFAOYSA-N 350.222 3.881 0 1 FHAF O=C1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 587607586 IBWHOVRDSXUKAM-UGKGYDQZSA-N 374.348 3.558 0 1 FHAF CCCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587758780 JMKUPLRZIHQBEX-MGPLVRAMSA-N 352.251 3.818 0 1 FHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(Br)nc2[nH]1 587071257 YFBRICBUQKZOSL-JTQLQIEISA-N 365.662 3.659 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NCCCOC 587865908 OQVALNMFSZLOEO-UHFFFAOYSA-N 371.359 3.562 0 1 FHAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(C(=O)O)c3[nH]2)cs1 587020697 XDBMFDDOFBREMH-UHFFFAOYSA-N 374.422 3.655 0 1 FHAF CC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)c1 587748616 ANXCVTCFNLINOF-XLFHBGCDSA-N 365.246 3.753 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(CNC(C)=O)s1)CC2=O 587492044 AJABAQABRKWNOD-FQEVSTJZSA-N 373.474 3.923 0 1 FHAF Cc1ccc2c3c(cc(CCN4CCN(C)CC4)nc13)-c1ccccc1C2=O 587098887 XAVWRCYNFQQYGU-UHFFFAOYSA-N 371.484 3.545 0 1 FHAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cncnc4[nH]3)c(F)c2)c1 587147796 RUHHMLFPJOVMOU-UHFFFAOYSA-N 364.336 3.533 0 1 FHAF CC(=O)NC(C)(C)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587758966 ZLOUQQPQQLTLIC-BMLIUANNSA-N 371.294 3.642 0 1 FHAF C[C@@]1(c2nc(-c3ccccc3)cs2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962906353 XWDJGUVMZJJXDL-OXJNMPFZSA-N 368.433 3.812 0 1 FHAF COc1ccc([C@@H]2C[C@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1OC 1772581480 IDFMMLAQDBJEIN-WQYLNYGWSA-N 366.429 3.598 0 1 FHAF O=C(NC[C@@H]1Cc2cccc(-c3nccs3)c2O1)c1ccnc(Cl)c1 12023785 SVCKJEJZARRCOA-ZDUSSCGKSA-N 371.849 3.592 0 1 FHAF NCc1nc2cc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)ccc2[nH]1 13445545 XNORTXRTROLXIU-UHFFFAOYSA-N 370.412 3.505 0 1 FHAF CC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C[C@@H]1C 169292905 LJJAHPHAPWPSHP-ZLGUVYLKSA-N 371.502 3.972 0 3 FHAF CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccnc2ccccc12 169730654 MTWNWUFREDNUGA-OALUTQOASA-N 362.385 3.621 0 1 FHAF COc1ccc(-c2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1OC 1857597276 GXUJUWFMMUUKOX-UHFFFAOYSA-N 370.405 3.787 0 1 FHAF CCc1c(C)nn(CCNC(=O)[C@@H]2[C@H](c3ccc(F)cc3)C2(C)C)c1C 1857642202 GQZOLOMMBPRALU-OALUTQOASA-N 357.473 3.757 0 1 FHAF COc1ccc2c(c1)-c1c(c3cc(OC)ccc3n1CCN(C)C)CC2 1652491 AIVYHRBBOCVCDB-UHFFFAOYSA-N 350.462 3.986 0 1 FHAF Cn1nc(C(=O)NCCc2ccc(Cl)cc2)c2c1-c1ccsc1CC2 9687549 UJIUQQVTCNEZSM-UHFFFAOYSA-N 371.893 3.873 0 1 FHAF Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1ccc(F)c(C(=O)O)c1 28360765 RTVAXMAAIDVFHH-MNDPQUGUSA-N 363.801 3.872 0 1 FHAF O=C(Nc1nccs1)c1c(C(F)(F)F)nc2c(F)cccc2c1O 29241959 GZXWPDQUWMIKNN-UHFFFAOYSA-N 357.288 3.807 0 1 FHAF C[C@@H](NC(=O)[C@@H](O)[C@H](N)CC1CCCCC1)c1ccc2ccccc2c1 27986510 QZBJDJBZGPHHCG-LPTQZCDUSA-N 354.494 3.676 0 1 FHAF CSc1ncnc2c1ncn2CCCNCc1cccc2ccccc12 61922445 DSZXUBBENVGOFK-UHFFFAOYSA-N 363.490 3.881 0 3 FHAF CNC(=N)NC[C@]1(C)[C@H]2CC3=C(C(=O)O)CC[C@]31[C@@H](C)CC21CCCC1 2356777589 ZKDWDFRZWOXPNM-NUMXXLJMSA-N 359.514 3.518 0 1 FHAF CC(C)=CC[C@@]12C[C@@H]3C(=O)O[C@H](CC(C)C)C(=O)N3[C@@H]1Nc1ccccc12 33835415 WLPAAGQHCJNVMM-UBBRYJJRSA-N 368.477 3.605 0 1 FHAF CC(C)N1CCc2nc(NC(=O)N[C@H](C)c3ccccc3)cc3[nH]nc1c23 210742397 AJEMWYAVRXEWSJ-CYBMUJFWSA-N 364.453 3.612 0 1 FHAF Cc1nc2c3c(c(C(=O)N4CCC4)cc2n1C)CC[C@@H](c1ccccc1)O3 49088875 GVEHTXVASCJTNN-IBGZPJMESA-N 361.445 3.794 0 1 FHAF COCCn1c(-c2ccoc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179207 SUQAPAUKOZOQPF-UHFFFAOYSA-N 363.421 3.653 0 1 FHAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCc1ccc(F)cc1 82203559 INRAOQDMKVWMPH-UHFFFAOYSA-N 369.488 3.601 0 1 FHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 95555169 HVYKDVIWDWBQOJ-LHCIGQOGSA-N 374.569 3.992 0 1 FHAF C[C@H](NC(=O)CNC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 473152892 WWNVOJGEQVAHCU-NSHDSACASA-N 351.233 3.601 0 1 FHAF Cc1ccc2c3c(cc(-c4cnc(O)nc4O)nc13)-c1ccccc1C2=O 587096022 BLMFYIXOTFLROI-UHFFFAOYSA-N 355.353 3.623 0 1 FHAF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1CCF 587718258 NKCLHYNRRBCGBA-FVMDXXJSSA-N 370.241 3.686 0 1 FHAF Cc1ccnc2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc12 587002461 GEVCGEMVPDLXKA-JTQLQIEISA-N 372.222 3.664 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)(C(=O)O)CC2=O 587490936 SXVNBGPBNYEXAL-OAQYLSRUSA-N 354.402 3.766 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1O 587556544 KASNJSMUFTVNRH-UZLBHIALSA-N 352.317 3.940 0 1 FHAF N[C@@H](Cc1nc2ccnc(Br)c2[nH]1)c1ccccc1Cl 587057709 QQVPNFDZAQJVGF-JTQLQIEISA-N 351.635 3.616 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)c(F)c1)CC2=O 587468344 WJVSJYHCWJJERV-SFHVURJKSA-N 358.365 3.977 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2c1 587938591 XTLYLNHFYGYICV-ZUOKHONESA-N 368.433 3.514 0 1 FHAF CC[C@@]1(c2ccc(OC)cc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444187 SQVSGVMAUOENDI-IERDGZPVSA-N 354.402 3.765 0 1 FHAF COc1ccc(C)cc1NCCCc1nc2cc(F)cc(C(=O)O)c2[nH]1 587228389 BZYNFVVKAZSVBC-UHFFFAOYSA-N 357.385 3.762 0 1 FHAF COc1cc2c3c(c1)O[C@](C)([C@@]14C[C@@H]5C[C@@H](C[C@@](O)(C5)C1)C4)[C@@H](C2)C3=O 587448217 AUNCWZHLUARAPW-WAKFWDKESA-N 354.446 3.533 0 1 FHAF O=C(c1cccs1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661732 SNNNIDKLFNGUQH-UHFFFAOYSA-N 350.374 3.953 0 1 FHAF Nc1c(-c2nc3ccnc(Br)c3[nH]2)cnc2c(F)cccc12 587176540 PPUPRDRISJLFTP-UHFFFAOYSA-N 358.174 3.657 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CCO[C@H]1C21CCC1 587608076 JIGPUHZHUOZMOS-MLGANFCOSA-N 364.397 3.682 0 1 FHAF CCN1C(=O)C[C@@H](c2nc3c(C)ccnc3[nH]2)[C@@H]1c1ccccc1Cl 587062093 SJMCHNAZNOEIHW-DYVFJYSZSA-N 354.841 3.997 0 1 FHAF Brc1c[nH]c2nc(COC34CC5CC(CC(C5)C3)C4)nc-2n1 587950369 KNHIOLFFGGYKKR-UHFFFAOYSA-N 363.259 3.552 0 1 FHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C)c(F)cc3[nH]2)cc1 587228868 SKUNABYBSHCWJA-UHFFFAOYSA-N 370.384 3.509 0 1 FHAF N[C@@H](Cc1nc2cc(F)cc(F)c2[nH]1)c1ccc(Br)cc1F 587142595 HFPMAGVQGNJGJM-LBPRGKRZSA-N 370.172 3.985 0 1 FHAF CCn1cc(Br)c(Cc2nc3cc(F)c(F)c(F)c3[nH]2)n1 586999633 DCZALMFXPYCZDA-UHFFFAOYSA-N 359.149 3.550 0 1 FHAF N=c1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2ccccc2[nH]1 587254288 QSFRMJMMVGZWSG-UHFFFAOYSA-N 364.718 3.604 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CCCC[C@H]32)N1 587789492 DNFCCMFDNWSIDY-HYSWKAIVSA-N 353.279 3.576 0 1 FHAF CC[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2c(OC)ccc(OC)c21 963636066 ONYWHWFEDSSRCN-LRTDBIEQSA-N 355.434 3.620 0 1 FHAF COc1ccc(/C=C(\C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O 13607916 VTPCPBBVWDRRAV-YRVHBARZSA-N 360.406 3.564 0 1 FHAF NC(=O)c1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 13745749 OCXWMIZAVHITQO-UHFFFAOYSA-N 363.461 3.772 0 1 FHAF O=C(NCCCc1ccccc1Cl)c1cc2ccc(O)cc2oc1=O 1857561425 ZAXVXPDAHLSJAJ-UHFFFAOYSA-N 357.793 3.515 0 1 FHAF NCc1cc(=O)c2cc(-c3cncc(OCc4ccccc4)c3)ccc2[nH]1 1857602221 LOVKDJINYYOZCB-UHFFFAOYSA-N 357.413 3.628 0 1 FHAF CC[C@H](C(=O)NC(C)(C)C)n1nc(C)c2sc3ccccc3c2c1=O 6799248 VXGOLGGERBXVCQ-CYBMUJFWSA-N 357.479 3.785 0 1 FHAF CC(C)(C)NC[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 29551349 WANOPVSNXUMHSM-MRXNPFEDSA-N 367.445 3.588 0 1 FHAF O=C(O)c1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100621039 LJGXZZPZKKWEOA-QUCCMNQESA-N 360.413 3.588 0 1 FHAF O=C(c1ccc(Cl)cc1)N1C[C@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356299075 VDHKDDUZBYWVAK-WMLDXEAASA-N 374.799 3.861 0 1 FHAF O=S(=O)(N=S(=O)(c1ccccc1)c1ccccc1)c1ccccc1 5378069 SVSUXPKCFDZGQE-UHFFFAOYSA-N 357.456 3.962 0 1 FHAF biogenic O=C(CCC(F)(F)F)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 71297115 SCFIMEQFMMEJTF-SNVBAGLBSA-N 359.373 3.847 0 1 FHAF CCc1nc(C(=O)N[C@@H](C(=O)OCCC2CCCCC2)C(C)C)cs1 82070374 IUYLPPBYDCMINE-QGZVFWFLSA-N 366.527 3.974 0 1 FHAF NCCNc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12 223683283 JUWKBPNZYJQRCP-UHFFFAOYSA-N 355.854 3.931 0 1 FHAF Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCCC3)ccc1C2=O 49052919 NZMLWAPHUUXPMQ-UHFFFAOYSA-N 356.429 3.533 0 1 FHAF O[C@@H]1CCN(Cc2cccc(F)c2)C[C@H]1N1CCC(c2ccccc2)CC1 96900120 FNHDMTYIIRZGIF-DHIUTWEWSA-N 368.496 3.641 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CO)cc2)N1 587825144 GCKBEAFMFRMTGK-QGHHPUGFSA-N 350.231 3.704 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N(C)C)nc3ccccc3c1O)O2 587384917 AEXPPSZPZKVGOI-QGZVFWFLSA-N 363.417 3.604 0 1 FHAF Cc1c(-c2nc3nc(Cl)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029067 GUQPGNFJVPJKPC-UHFFFAOYSA-N 357.826 3.761 0 1 FHAF Cc1ccc([C@]2(CO)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587827738 QIUBNFDQTUGPMF-XIKOKIGWSA-N 364.258 3.667 0 1 FHAF Cc1cccc(-c2ccccc2)c1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 586879049 OHRRDFBQAFQIRO-UHFFFAOYSA-N 363.442 3.853 0 1 FHAF Cn1ccc2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575224 DSKLDAXCGRLGPG-KNQAVFIVSA-N 361.397 3.924 0 1 FHAF Cc1nc(NC(=O)CCC(=O)O)sc1-c1cc2c3c(cccc3n1)CC2 587361070 RCVOWILJYVZNFB-UHFFFAOYSA-N 367.430 3.569 0 1 FHAF CCCc1nc(-c2nc3cc4c(cc3[nH]2)OCO4)nn1-c1ccccc1F 587156831 ZWXOOUJMUXGBTD-UHFFFAOYSA-N 365.368 3.631 0 1 FHAF Cc1nn(C)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343013 QWGXYOUFPUEWPD-PZJWPPBQSA-N 366.392 3.848 0 1 FHAF Cc1cc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1F 587112237 RJIKVUXZYYBPHL-UHFFFAOYSA-N 351.303 3.959 0 1 FHAF CCO[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H]1Oc1ccccc1 587403387 LQABIALSNDGDHP-HLAWJBBLSA-N 353.418 3.538 0 1 FHAF O=C(c1nn(-c2ccccc2)cc1O)n1nc2cc1Oc1ccc(F)cc1-2 587875259 IQJPQJYGKAQYSE-UHFFFAOYSA-N 362.320 3.375 0 1 FHAF Cc1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1C 587193614 NKQVMEFFGONTEH-UHFFFAOYSA-N 351.450 3.699 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccccc3F)c1)O2 587386196 UENYVOIBGHEIAL-HXUWFJFHSA-N 351.381 3.783 0 1 FHAF COc1cc2c3c(c1)O[C@]1(Cc4ccc(Br)cc4C1)[C@@H](C2)C3=O 587417450 KOSRDOWEGSCRRT-KXBFYZLASA-N 371.230 3.743 0 1 FHAF Cc1cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2cc1Br 587152152 ZSJDVWODZJWZGU-AWEZNQCLSA-N 352.182 3.960 0 1 FHAF FC(F)(F)COc1cc(-c2nc3cc(Br)ncc3[nH]2)ccn1 587092685 YUDWEEPFWZVEIG-UHFFFAOYSA-N 373.132 3.724 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(C)(C)C)(C(=O)O)N1 587828346 OTPFWQYTSROJFC-XXFAHNHDSA-N 358.251 3.839 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)(C(=O)O)CC2=O 587490935 SXVNBGPBNYEXAL-NRFANRHFSA-N 354.402 3.766 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nccn23)N1 587772705 GFQYROKFPKRUIZ-BMLIUANNSA-N 360.230 3.860 0 1 FHAF COc1cnc2c(c1)[C@@]1(CCC2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962566914 JLNPDECBOODWOO-FPTDNZKUSA-N 368.477 3.564 0 1 FHAF COc1ccc([C@@H]2c3ccsc3CCN2Cc2cccn2C)nc1C 962399007 PHKKZYIMQCLDLI-FQEVSTJZSA-N 353.491 3.946 0 1 FHAF COC(=O)C[C@@]1(C)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831791 JNEHGDSJTSKZJU-JOCHJYFZSA-N 364.445 3.671 0 1 FHAF C[C@@](O)(/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O)Cc1ccccc1 13488388 IGVPZJXNGDQLRO-FHFXGYIMSA-N 373.493 3.562 0 1 FHAF CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3nc[nH]c3n2)cc1 13648471 ADHPIOBOQMGIPQ-UHFFFAOYSA-N 351.458 3.907 0 1 FHAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCCO)nc21 13682628 IGKKQXCKNSJVEA-UHFFFAOYSA-N 360.849 3.599 0 3 FHAF COc1cc(Br)c2c(c1)CCN(C)[C@H]2Cc1ccccc1O 13805162 MKINKQXZCCTYOJ-INIZCTEOSA-N 362.267 3.935 0 1 FHAF CC1CCC(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CC1 13837040 ZBNCRTZPOIUJAQ-NGICGMGXSA-N 368.521 3.779 0 1 FHAF COc1ccc(-c2c3c(cc4ccc(O)c(OC)c24)C(=O)OC3)cc1OC 14726734 HVHABCOASJFMNA-UHFFFAOYSA-N 366.369 3.909 0 1 FHAF biogenic,in-vitro CSc1ccnc(C[S@@](=O)c2nc3ccc(OC(C)C)cc3[nH]2)c1 1494444 IJZKZDQFCCDLFT-DEOSSOPVSA-N 361.492 3.775 0 1 FHAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@H](C)c1ccc(F)cc1 4153828 LFLSQCLMJFJSLS-SZNDQCEHSA-N 370.424 3.842 0 1 FHAF COc1ccc2c3ncn(CCCN4CCCC[C@H]4C)c(O)c-3nc2c1 103533844 XTFAYNQFRRJWDD-CQSZACIVSA-N 354.454 3.515 0 1 FHAF Cc1cc(C)cc(N2CCN(C(=S)Nc3cc(C)cc(C)n3)CC2)c1 103254380 UTTREKKUCNNITQ-UHFFFAOYSA-N 354.523 3.834 0 1 FHAF COc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)N(C)CC[C@]314 28477921 JUUYNFHQKQIBCF-MXSVQDJISA-N 372.468 3.981 0 1 FHAF CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 101616579 JWWUOGUVVBAIEL-HVESIFNPSA-N 372.425 3.577 0 1 FHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3ccc(CO)cc3CC[C@@H]21 100620839 QLPRIDHQBWDNGK-UNMCSNQZSA-N 360.457 3.772 0 1 FHAF CCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F 28642932 KNZSBUXVYZYDFA-UHFFFAOYSA-N 362.412 3.898 0 1 FHAF CNc1c(C(=O)N(C)c2ccccc2)c(=O)n(C)c2ccc(SC)cc12 27996005 VPEFSJBXRRJJIM-UHFFFAOYSA-N 367.474 3.579 0 1 FHAF CC1(C)c2ccccc2N2CC(=O)N[C@@]21C=Cc1ccc2ncccc2c1 2356742239 DOGZCOKBQKEFJB-QHCPKHFHSA-N 355.441 3.872 0 1 FHAF CN(C)c1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1 66124331 SPHJXLJIUFXOQM-UHFFFAOYSA-N 361.401 3.896 0 1 FHAF Cc1cccc(C(=O)N[C@H]2CCN3CCc4c([nH]c5ccccc45)[C@@H]3C2)c1 39246759 FXKJLDSNVRPGDV-UWJYYQICSA-N 359.473 3.968 0 1 FHAF COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(F)cn2)cc1 73170208 LRUPHJAQKSRDNC-UHFFFAOYSA-N 353.353 3.864 0 1 FHAF CSc1nn(-c2ccccc2)c2cc(NC(=O)[C@@H]3CCCNC3)ccc12 72177374 CIYHEMXGQAGSSF-CQSZACIVSA-N 366.490 3.686 0 1 FHAF COc1ccc([C@@](C)(O)c2nc(N3CC=CCC3)nc3ccccc23)cc1 1911578667 YKTVNRAKFRCZBC-JOCHJYFZSA-N 361.445 3.661 0 1 FHAF CC[C@@H](C)NC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F 82152449 ZQXHQGFXSYQSEM-CQSZACIVSA-N 356.445 3.801 0 1 FHAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3CO)co2)cc1 82072698 GQLWSJNVKSNZAZ-KRWDZBQOSA-N 372.465 3.898 0 1 FHAF C[C@@H](N)CNc1nc(-c2ccncc2F)nc2sc3c(c12)CCCC3 223674395 STQDTUIYESZIAS-SNVBAGLBSA-N 357.458 3.530 0 1 FHAF CC(C)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 82192381 XRYJFOPDSQSQNE-INIZCTEOSA-N 365.449 3.829 0 1 FHAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)O)[C@@H](C)[C@@H]3C(=O)C[C@@H]12 238744180 LXJSFBJEYLPDJS-VHBNLHQASA-N 362.466 3.618 0 1 FHAF CCOC(=O)[C@H]1c2c(c3ccccc3n2C)CCN1C(=O)OC(C)(C)C 95557759 DAPHQHGCQZOEHD-QGZVFWFLSA-N 358.438 3.576 0 1 FHAF O=C(NCCc1c[nH]c2ccccc12)c1cc[n+](Cc2ccc(F)cc2)cc1 473154503 ICUGREZPKCKXFF-UHFFFAOYSA-O 374.439 3.615 0 1 FHAF COc1cc2c(cc1O)C[C@@H]1c3cc(OC)c(OC)cc3CCN1[C@@H]2C 85909729 HEZATOQIKMHZNZ-SJKOYZFVSA-N 355.434 3.635 0 1 FHAF biogenic CCOc1cc2c(cc1[C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)O[C@H](C)C2 587455970 RMIBYDYOBZFDEO-XRFBYRFRSA-N 366.413 3.906 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(CC(F)F)c1 587557764 SULBGIRINCNKMX-VQIMIIECSA-N 372.327 3.557 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@@H](C)O)N1 587847152 JKGSRFPHKYJYAD-XIZWVBILSA-N 370.287 3.808 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cccc(C(F)(F)F)c3[nH]1)C2 587247651 WJTAVVNWOQWIFQ-GOSISDBHSA-N 361.367 3.933 0 1 FHAF Fc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)nc1Br 587156173 XVQNALKLGAGFRO-UHFFFAOYSA-N 372.100 3.848 0 1 FHAF CCOC(=O)C[C@@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 587400480 PWDGAMCWOZRUOP-OAQYLSRUSA-N 353.418 3.700 0 1 FHAF CC[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355445 UUSXPOVXSVYTMA-UYAOXDASSA-N 358.365 3.904 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(Br)cn1 587869314 GPROYCJMDMKKML-UHFFFAOYSA-N 363.190 3.630 0 1 FHAF COC(=O)C(=O)[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587098194 PZWRWRIIPFLHBG-INIZCTEOSA-N 371.392 3.527 0 1 FHAF C[C@H](O)c1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852761 IOUNYZIVLIYBOU-KXEKKFMESA-N 371.275 3.722 0 1 FHAF O=C1CSc2ccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cc2N1 587043799 NAZWFWDQEFHLEV-UHFFFAOYSA-N 351.218 3.976 0 1 FHAF Cc1cc(C)n(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587763119 IDDUWOQDXLNBPX-QGHHPUGFSA-N 366.278 3.851 0 1 FHAF CC(C)C1=C[C@@]2(CC(=O)O1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587829976 DFYZRGFMNSKUQF-BTDLBPIBSA-N 368.246 3.805 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C)C(=O)O)(c1ccccc1F)O2 587384859 JULYGMWVLFJAQJ-MPBGBICISA-N 357.381 3.688 0 1 FHAF Cc1ccc2c(c1)cc([C@H]1N[C@@H](C(=O)O)Cc3c1cnc1ccccc31)n2C 963239470 WYOCUBMIEQZNDF-KNQAVFIVSA-N 371.440 3.723 0 1 FHAF CCc1ccc(-c2nc(CN3CCC[C@H](C(=O)NC4CC4)C3)c(C)o2)cc1 5056007 PWZUQGHBBBHAJS-SFHVURJKSA-N 367.493 3.703 0 1 FHAF c1ccc(-c2nnc3c4ccccc4c(OCCc4ccccn4)nn23)cc1 13559994 RTHSDLLYNWWMSZ-UHFFFAOYSA-N 367.412 3.961 0 1 FHAF CC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1 14967360 WHDBVRBJWGZQAF-LLVKDONJSA-N 352.356 3.934 0 1 FHAF CCN(CC)CCS[C@H](N=O)C(=O)c1ccc(Br)cc1 169713409 UCKKGODQYYGRNH-AWEZNQCLSA-N 359.289 3.799 0 1 FHAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCc3cccc(Cl)c3C2)CC1 1857552843 JKRQNNXDKNTEDN-JCNLHEQBSA-N 363.933 3.918 0 1 FHAF CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(C(=O)N2CCOCC2)nn1-c1ccccc1 630640 LPPFLTHBSKJODI-ZHRRBRCNSA-N 365.477 3.520 0 1 FHAF CC[C@]12CCCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4CC1)[C@@H]32 4482057 ARQOGCYMPUOVHK-QESAQDPVSA-N 354.494 3.726 0 1 FHAF CCCNC(=O)N(C)C(=O)N1N=C(c2ccccc2)[C@H]1c1ccccc1 6380402 GONNRUTYCLLGEZ-GOSISDBHSA-N 350.422 3.619 0 1 FHAF CC[C@@H](CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc21 58582708 YTYLSGGBDMTGBB-HNNXBMFYSA-N 356.857 3.930 0 1 FHAF CC[C@@H](Oc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1)C(=O)O 27549115 JZDGULFFACPIOT-LJQANCHMSA-N 353.418 3.599 0 1 FHAF CC=C(C)C(=O)OCC(=CC)C(=O)OCC=Cc1ccc(OC)c(OC)c1 2356474468 SMFMXIFWUMPOHW-UHFFFAOYSA-N 374.433 3.716 0 1 FHAF O[C@H](COc1cccc(-c2ccccn2)c1)CN1CCc2ccccc2C1 219734591 KAOIYJDGLJQTOT-NRFANRHFSA-N 360.457 3.547 0 1 FHAF N=C1S/C(=C\c2c[nH]nc2-c2cccc(F)c2)C(=O)N1c1nccs1 40403237 PVLIGGXEEMNUKJ-KBEFMPHXSA-N 371.422 3.728 0 1 FHAF Cc1ccc([C@@H]2NC(=S)N[C@H](c3ccc4c(c3)CCCC4)C2=O)cc1 49116221 JEAXTUVEJOXNAU-RBUKOAKNSA-N 350.487 3.703 0 1 FHAF O=C(Nc1ncccn1)c1c(O)ccc2cc(-c3cccc(O)c3)ccc12 40880487 KHXUMAJPLCXUFS-UHFFFAOYSA-N 357.369 3.960 0 1 FHAF COCCn1c(CC(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 82179289 SCSFXOVGSJJUIC-UHFFFAOYSA-N 353.470 3.592 0 1 FHAF COC1=CC(=O)N/C1=C\c1ccc(CCCC/C=C/CCCCC(=O)O)[nH]1 89455540 AGJWYWGEONKDJD-MTAFUFJISA-N 372.465 3.930 0 1 FHAF Cc1nc(N[C@@H](C)CO)c2c(n1)[nH]c1ccc(OCc3ccccc3)cc12 141799276 UDGBRPFPOKHKDI-ZDUSSCGKSA-N 362.433 3.791 0 1 FHAF COc1cc(-c2nc(-c3ccc(F)cc3)nn2C)ccc1-n1cnc(C)c1 96911122 LRWFOCKAIANSCK-UHFFFAOYSA-N 363.396 3.791 0 1 FHAF CC(C)Oc1ccc(-c2nnc(NC3=CCNCC3)s2)cc1Cl 653708047 QOMHWECRSMWWHZ-UHFFFAOYSA-N 350.875 3.935 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(C2CC2)N1 587825821 FPLXHKWBSJYLBD-JDNHERCYSA-N 356.235 3.593 0 1 FHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)ncc4[nH]3)cc2N1 587125486 FXJPIFROSWJFIA-WKEGUHRASA-N 356.739 3.782 0 1 FHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)c(F)cc2[nH]1 587194595 WCJWPSMPJQYBEO-LBPRGKRZSA-N 370.856 3.873 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(OC)c1)[C@@H](C2)C3=O 587420168 DTIDQHDTTSBRQB-SGTLLEGYSA-N 362.328 3.794 0 1 FHAF COC(=O)c1ccc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2n1 587166465 SRNCUUIDHDYYBT-UHFFFAOYSA-N 364.380 3.865 0 1 FHAF CC(C)[C@@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583710 WYSYRYJUSNXEPN-GHTZIAJQSA-N 364.401 3.645 0 1 FHAF N=c1[nH]c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2o1 587573390 BMYOZCITYJZECV-FXAWDEMLSA-N 374.352 3.649 0 1 FHAF CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437635 IATKDEHLEWNNNH-SPLOXXLWSA-N 369.417 3.645 0 1 FHAF COC(=O)c1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cn1 587017626 NXUMFXBBSZAHFF-UHFFFAOYSA-N 371.809 3.583 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCC(=O)O)N1 587828279 OLMOJPSRPYTLEW-HWPZZCPQSA-N 358.251 3.983 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 586923036 WLQFYUMJCVTSJF-UHFFFAOYSA-N 372.343 3.504 0 1 FHAF Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587775479 QYTWAHTTWCBOGL-PWJLMRLQSA-N 350.235 3.619 0 1 FHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc(C(=O)OC)c2[nH]1 587926938 MFLRWFGLDQALAV-ZDUSSCGKSA-N 354.406 3.909 0 1 FHAF CCOC(=O)[C@H]1CCc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587401820 YXAPLCYDNXHZGE-VGSWGCGISA-N 365.429 3.563 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(C(=O)OC)n(C)c1)CC2=O 587468877 BOZNSYLDOOYBLD-OAQYLSRUSA-N 371.433 3.741 0 1 FHAF COc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599328 FLSJXEDSPBVQGK-GHTZIAJQSA-N 364.353 3.809 0 1 FHAF Cc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)c(F)c1 962626608 CYKBAJQKZGUTJA-JKSUJKDBSA-N 369.314 3.721 0 1 FHAF COc1cc(C(=O)NCc2ccc(Cl)cc2F)ccc1-c1cn[nH]c1 1772616251 HWOQGLLRJCPMIZ-UHFFFAOYSA-N 359.788 3.808 0 1 FHAF C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(C(=N)N)c(F)cc3[nH]2)c1O 13444381 VHCWDBADFMDZND-QFYYESIMSA-N 368.412 3.926 0 1 FHAF Cc1noc2cc(OCCCNC[C@@H]3CCc4ccc(O)cc4O3)ccc12 13775932 OLYVLNMYFDULPJ-SFHVURJKSA-N 368.433 3.594 0 1 FHAF CC(=O)c1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1O 1857558962 MCQKMUFMBFCPCT-UHFFFAOYSA-N 353.462 3.928 0 1 FHAF Cc1ccc(CN2CCN(C(=S)Nc3cc(C)cc(C)n3)CC2)cc1 1857636809 BENRSUWPEPCWGC-UHFFFAOYSA-N 354.523 3.521 0 1 FHAF O=C(NC1CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CS2 3638644 HIIVACGASGIUMB-UHFFFAOYSA-N 372.877 3.871 0 1 FHAF CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 13561106 QOPYJRDVWKGMAP-UHFFFAOYSA-N 350.890 3.636 0 1 FHAF CC(C)=CCn1c2c(ccc1=O)[C@H](NCCc1ccc(O)cc1)CCC2 13743317 KWEZMHIIEJQCJR-HXUWFJFHSA-N 352.478 3.730 0 1 FHAF COc1cc(C=O)c([C@H](c2ccc(OC)c(OC)c2)[C@H](C)C(C)=O)cc1O 14694296 KKCASOTYIFBECW-GTJPDFRWSA-N 372.417 3.588 0 1 FHAF biogenic CC(C)n1cnc2c(C(=O)NC3C[C@@H]4CC[C@H](C3)N4C)cc(Cl)cc21 27526903 JKCPJPRSHXMMGA-GOOCMWNKSA-N 360.889 3.626 0 1 FHAF Brc1ccc(CCO[C@H]2CCCC[C@H]2N2CCOCC2)cc1 28653755 DKKUYUYFZQFXER-MSOLQXFVSA-N 368.315 3.652 0 1 FHAF CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 38423148 RNSISAJHBSCDGC-QZNZIJKLSA-N 362.897 3.832 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](c3cccc(CF)c3)CN1CC2 45337456 OQMKJZHTWPQABR-AABGKKOBSA-N 370.468 3.587 0 1 FHAF in-vitro COc1cccc(CNC(=O)c2coc(-c3ccc(C)cc3)n2)c1OC 82074730 GIIVNGWEEVLBQW-UHFFFAOYSA-N 352.390 3.597 0 1 FHAF COc1ccc(-n2cc3nc(C)nc(NC(=O)Nc4ccccc4)c3n2)cc1 95585887 URUYPKRYCMEMRR-UHFFFAOYSA-N 374.404 3.777 0 1 FHAF C[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1ccccc1)C1CCCCC1 95755420 GLXXESPASNDZPB-KRWDZBQOSA-N 356.510 3.838 0 1 FHAF O=C([C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)CCCC(C1CC1)C1CC1)N1CCCC1 100771266 VPQCFOIXZVLOIW-WFXMLNOXSA-N 358.526 3.595 0 1 FHAF Fc1cncc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1 117421651 FDAUCKDYXZLBFN-UHFFFAOYSA-N 368.803 3.743 0 1 FHAF CCc1ccc(Cl)cc1-c1cc(-c2ncnc3[nH]ccc23)[nH]c1C(N)=O 143273397 PEZCZVVGBCSRDD-UHFFFAOYSA-N 365.824 3.935 0 1 FHAF O=C(Nc1cccc2c1C[C@@H](O)CC2)N[C@@H]1CC[C@H](c2ccccc2)C1 148530071 VDZTXFMUUMHYNW-OTWHNJEPSA-N 350.462 3.994 0 1 FHAF CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CC)(CC[C@@H]12)[C@@H]43 238764278 ROASJTKVYDJYTF-BRKWEVRTSA-N 354.494 3.814 0 1 FHAF CCO[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 261149437 OOTODNOGRPZZSE-FVQHAEBGSA-N 351.512 3.705 0 1 FHAF Oc1nc2ccsc2c(N[C@H]2CCCNC2)c1-c1nc2ccccc2[nH]1 299830123 MRBNLCLXWRXFJX-NSHDSACASA-N 365.462 3.709 0 1 FHAF CCc1nc(Nc2ccc(CC(=O)O)cc2)nc(-c2ccc(F)cc2)n1 299833890 NYCUHTHGIQZFPY-UHFFFAOYSA-N 352.369 3.611 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 586916947 PXBIJCBQLHSHKU-ZUOKHONESA-N 350.374 3.508 0 1 FHAF Cc1c(Br)ccc2nc(CSc3cccc[n+]3[O-])[nH]c12 586970287 VZZRRWLROFSMHR-UHFFFAOYSA-N 350.241 3.560 0 1 FHAF FC(F)(F)COc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccn1 587090999 DRVYGLVQMZVPAH-UHFFFAOYSA-N 365.311 3.727 0 1 FHAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cnncc3[nH]2)c1 587147012 FPJVRPLSYRFEEL-UHFFFAOYSA-N 364.336 3.533 0 1 FHAF CC(C)[C@@H](c1nc2nc(Cl)c[nH]c-2n1)N(C)C(=O)OCc1ccccc1 587197820 PLLLKQNMUYOSHX-AWEZNQCLSA-N 373.844 3.924 0 1 FHAF CN1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336199 JMSQRVYZFKBNJZ-LVOPSTRXSA-N 367.420 3.886 0 1 FHAF CCOC(=O)[C@@]1(c2cc(C)ccc2C)CC(=O)c2cc(C)cc(N)c2O1 587399013 HLEFKSXUIFYZPN-NRFANRHFSA-N 353.418 3.618 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)O[C@@H](C)c1ccccc1)[C@@H](C2)C3=O 587437870 ASXJJLKNRJYJSJ-SRMJIJMDSA-N 366.413 3.896 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(F)cc(C)cc21 587470166 FBNDYHIXOMSZLF-HXUWFJFHSA-N 355.365 3.605 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc4c(cc31)OCO4)CC2=O 587486576 LUAIQUNUWNYXBF-NRFANRHFSA-N 352.386 3.880 0 1 FHAF C[C@@]1(CN2Cc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587518557 LCSLCNHAYUSBOL-QHCPKHFHSA-N 361.441 3.945 0 1 FHAF CCOC(=O)c1csc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587535838 OSZCCOFKAACYSN-INIZCTEOSA-N 357.431 3.905 0 1 FHAF CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587590125 XZDBFYWYBNNANT-GHTZIAJQSA-N 363.369 3.889 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nccn23)N1 587776547 XXKUKMQZEKLOIB-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cccnc32)N1 587779196 QUMOEIDWZGCFDS-DYZYQPBXSA-N 363.230 3.544 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N(C)C)s2)N1 587851813 CSHVRNKXWFPOKI-RMLUDKJBSA-N 370.291 3.734 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCCC(C)C 587869246 FGQVSHGDMONHCR-UHFFFAOYSA-N 372.416 3.741 0 1 FHAF COc1ccc(CCCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(OC)c1 587928498 HITWRUSIBAYYNF-UHFFFAOYSA-N 365.433 3.640 0 1 FHAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587950805 CWFNVNGWKFPPNZ-OZVIIMIRSA-N 352.456 3.856 0 1 FHAF COc1ccccc1C[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962978532 ROMLZLCRVIZIKR-ZIAGYGMSSA-N 367.779 3.510 0 1 FHAF COc1cc(OC)c([C@H]2C[C@@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC 1772571541 STKXXWMTZYSVQE-NVAYWJMMSA-N 366.429 3.598 0 1 FHAF COc1ccc(Nc2nccc(-c3sc(N(C)C)nc3C)n2)c(OC)c1 1857634242 YBOOAZFLAUPOKA-UHFFFAOYSA-N 371.466 3.735 0 1 FHAF CCOC(=O)C1=C(N)Oc2c(ccc3c2CCN3)[C@H]1c1cccc(Cl)c1 1857765780 RCHJYBPTTUAXHR-MRXNPFEDSA-N 370.836 3.566 0 1 FHAF COc1oc(CC=C(C)CC[C@H](OC)C(C)=C[C@@H](C)O)c(C)c(=O)c1C 2356831811 JRYSFTQQWLHNHH-QAPCUYQASA-N 364.482 3.876 0 1 FHAF CC(C)CCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 3035498 RHVDCYQUWOZPSG-UHFFFAOYSA-N 366.343 3.784 0 3 FHAF CCOC(=O)C1CCN(C(=O)c2cc3cc4ccc(C)cc4nc3o2)CC1 4905994 QGISIMVHFKJVEL-UHFFFAOYSA-N 366.417 3.705 0 3 FHAF C[C@H](NC(=O)[C@@]1(C)CON=C1c1ccc(N(C)C)cc1)c1ccc(F)cc1 769657 OJFAIZGPTNGMIE-QKKBWIMNSA-N 369.440 3.510 0 1 FHAF CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1c(F)cccc1Cl 777219 IQULUXCFWBDFBJ-JTQLQIEISA-N 368.836 3.932 0 1 FHAF C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 29462680 HRGMOLOUFOLRGV-CLJRNHLWSA-N 357.372 3.641 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1c(C)noc1CC 100028084 DTPINYZLNUJBJO-XMGGNUPJSA-N 362.426 3.747 0 1 FHAF O=C(c1ccc(Cl)cc1)N1C[C@@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356299144 ZEJCPZHFDUJKTD-RHSMWYFYSA-N 373.815 3.596 0 1 FHAF COc1ccc2nc(C)cc(-n3cc(CN(C)C4CCCCC4)nn3)c2c1 64521369 AGWLBHBEPQLBPT-UHFFFAOYSA-N 365.481 3.897 0 1 FHAF CON(C)C(=O)[C@@H]1CCN(Cc2ccccc2)C[C@H]1[C@H]1C=CC(Cl)=CC1 2356622565 HOBZZRZRYVOMIN-SXLOBPIMSA-N 374.912 3.843 0 1 FHAF Cc1ccccc1S(=O)(=O)Nc1cc(-c2ccncc2)sc1C(=O)O 28397833 LPMCPDOXHWVFPI-UHFFFAOYSA-N 374.443 3.618 0 1 FHAF COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCC(C)C)ncnc21 82178083 ISTHREIOWPYHHS-INIZCTEOSA-N 367.497 3.887 0 1 FHAF COc1ccc2c(c1OC)[C@@]13CCN(CC4CC4)[C@H](C2)[C@@H]1C[C@H](C)C(=O)C3 195322398 HSEYGJLILMXTEM-BQIAWBRTSA-N 369.505 3.597 0 1 FHAF CC(C)(C(=O)O)[C@@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@]1(C)CC(=O)O)[C@@]1(C)O[C@@H]31 257521090 QGTMYAPGXJWNQR-NFCAACELSA-N 350.455 3.562 0 1 FHAF endogenous,in-man C[C@]1(c2cncc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569868 NAWLVVHWUWRQFD-YLJYHZDGSA-N 351.333 3.803 0 1 FHAF CCOC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799665 UCLQZBBXPYSNSF-DYZYQPBXSA-N 370.262 3.681 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CN(Cc4ccccc4)CC[C@@H]1C)[C@@H](C2)C3=O 587438814 RGWCCYJECSIZOU-FOMLIJIXSA-N 363.457 3.723 0 1 FHAF CC(=O)N[C@@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(C)cc1 587206449 MTGLEVGZBUFJOB-ZDUSSCGKSA-N 363.248 3.993 0 1 FHAF CC(C)CCOC(=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587796970 UTDXCHLXSKOVES-DIFFPNOSSA-N 372.278 3.927 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)c(F)cc2[nH]1 587118646 SNTNWNDREXKHIA-UHFFFAOYSA-N 363.112 3.884 0 1 FHAF CC[C@H](C)[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356029 YGILVJZNUROMQE-VNNHTSALSA-N 358.365 3.760 0 1 FHAF CCCCOc1cc2nc(-c3c[nH]ccc3=N)[nH]c2cc1Br 587249659 QQDOMZCCMRQMMM-UHFFFAOYSA-N 361.243 3.979 0 1 FHAF CCOC(=O)CCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599566 XXPPNIYANSARKR-GHTZIAJQSA-N 370.401 3.846 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3oc(=N)[nH]c13)CC2=O 587468889 FAKNBNSRTSAQKJ-HXUWFJFHSA-N 352.390 3.779 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1COc3ccccc3O1)CC2=O 587482291 DPSLKJNVJDNLPQ-PZJWPPBQSA-N 354.402 3.909 0 1 FHAF Cc1c(F)ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 587110752 BAFOBWLABGEWDP-UHFFFAOYSA-N 351.303 3.959 0 1 FHAF FC(F)(F)c1nn(CCc2nc3cccnc3[nH]2)c(C2CC2)c1Cl 587116278 BLEDDSCQEVEFKW-UHFFFAOYSA-N 355.751 3.947 0 1 FHAF CC[C@H](C)n1cc(Cl)c(-c2nc3nc(Br)c[nH]c-3n2)n1 587080669 SJLZWLJDMJUOQU-LURJTMIESA-N 355.627 3.555 0 1 FHAF COc1cccc(-c2cc(O)cc(-c3nc4cccc(C(N)=O)c4[nH]3)c2)c1 587932594 HGFUSMJXDIMIDL-UHFFFAOYSA-N 359.385 3.710 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C1)O2 587401632 URPIBXBLIZCUFE-ZQWRNJAYSA-N 372.465 3.701 0 1 FHAF C=CC(=O)Nc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 587244683 RINYKOPLKSFJMC-UHFFFAOYSA-N 367.718 3.817 0 1 FHAF C=C1NC(C)=Cn2nc([C@]3(C)CC(=O)c4ccc(O)c(CCC)c4O3)cc21 587481822 IORXTFPQGFFSBR-NRFANRHFSA-N 365.433 3.814 0 1 FHAF CCc1ncc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)[nH]1 962639736 LYRFXJRSTGCPLE-WMZHIEFXSA-N 358.489 3.808 0 1 FHAF Cc1ccc2c([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c[nH]c2n1 962760068 CRJWUFFFAVNWHM-HZPDHXFCSA-N 359.351 3.606 0 1 FHAF O=C1c2ccccc2C(=O)N1CCNc1ccnc2cc(Cl)ccc12 199878703 WNXWHCHLOWKHDI-UHFFFAOYSA-N 351.793 3.596 0 1 FHAF Cc1ccoc1C(=O)N1CCCn2cc(C(=O)Nc3ccccc3)cc2C1 1772619535 QPWQFNMQABDWNU-UHFFFAOYSA-N 363.417 3.688 0 1 FHAF CC(=O)O[C@@H]1CC=C2C(=O)c3occ(C)c3[C@H](OC(=O)C(C)C)[C@]2(C)[C@@H]1C 13322870 YQMOEUUXIOCHQC-HLQAEVLPSA-N 374.433 3.929 0 1 FHAF biogenic CSc1nn(-c2cc(C(F)(F)F)ccc2Cl)c2nc(C)[nH]c(=O)c12 13585076 IDAWGHDRGHHLAD-UHFFFAOYSA-N 374.775 3.811 0 1 FHAF COc1ccc2ccc(=O)oc2c1C(=O)[C@@H](OC(=O)C=C(C)C)C(C)C 14611115 DYGOLEKLQJWOGJ-IBGZPJMESA-N 358.390 3.518 0 1 FHAF biogenic,in-vitro COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2O 14688356 WLRZIPVGEMNPES-YHFKFMBFSA-N 374.477 3.864 0 1 FHAF endogenous,in-man OCC1(NCc2ccnc(-c3ccc(C(F)(F)F)cc3)n2)CCCCC1 204409958 GIVCIMBSNUSLEH-UHFFFAOYSA-N 365.399 3.947 0 1 FHAF CC(=O)OCCCCn1cnc2nc(Nc3ccccc3)nc(Cl)c21 1646797 MHQKWEZMDYFJBE-UHFFFAOYSA-N 359.817 3.567 0 1 FHAF COc1ccc([C@H]2C[C@@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1 2918584 AXTUHCPASKJLIR-CABCVRRESA-N 359.792 3.621 0 1 FHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4Nc5[nH]ncc5C[C@]4(C)[C@@H]3CC[C@]12C 5545965 TXIDYABROZTEFW-DLSMWHAWSA-N 357.498 3.921 0 1 FHAF COc1c(O)c2c(c3c(=O)occc13)CC[C@@H]1C(C)(C)C(=O)CC[C@]21C 13337280 DZAIPEFYJZKDHX-ASSNKEHSSA-N 356.418 3.716 0 1 FHAF biogenic COC(=O)CCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1 29222129 FQURHECIJIVWEI-UHFFFAOYSA-N 363.413 3.712 0 1 FHAF CN(C)c1ccc(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)cc1 71296835 HHQIWGCEHQNJKE-UHFFFAOYSA-N 356.426 3.905 0 1 FHAF CC(C)N1CCN(c2nccc(NCc3cccc4ccccc34)n2)CC1 72124399 TYKPGRUYXMYNGZ-UHFFFAOYSA-N 361.493 3.772 0 1 FHAF COc1cccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)c1 72125150 MHCJXKAQTROZGK-UHFFFAOYSA-N 350.462 3.802 0 1 FHAF COCCOc1ccc(-c2cn3nc(OC4CCCC4)ccc3n2)cc1 72175003 SMRAPBMJFJPIGO-UHFFFAOYSA-N 353.422 3.743 0 1 FHAF COc1ccc(-c2ccc3ncc(-c4cccc(CO)c4)n3n2)cc1OC 82082173 GCMNDHMMISUYMR-UHFFFAOYSA-N 361.401 3.573 0 1 FHAF COC1CCC2(CC1)Cc1ccc(OCC(C)C)cc1[C@]21N=C(C)C(N)=N1 95575503 BQDUISPSAOQZDJ-JHJOLFGTSA-N 369.509 3.837 0 1 FHAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccc(F)cc2)cc1 100109409 FWVRTCVZZXQAAN-JOBHKAQDSA-N 351.425 3.831 0 1 FHAF FC(F)(F)[C@@]12[C@]34C=C[C@]5(CC[C@@]6(C=C[C@@]1(CC3)O6)[C@]52C(F)(F)F)O4 102959475 KDYYIGLVOYNXIM-HUXGKSLCSA-N 350.258 3.827 0 1 FHAF COc1ccc2c(c1)Oc1ncn(C)c(=N)c1[C@H]2c1ccc(Cl)cc1 103102854 WTTMQHAWCYAMRS-INIZCTEOSA-N 353.809 3.847 0 1 FHAF Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)no2)c1C 147023842 RYWRDPDRJFAYQY-UHFFFAOYSA-N 373.434 3.796 0 1 FHAF C[C@@H]1CN(c2nccnn2)CC[C@@H]1Oc1cc(C(F)(F)F)ccc1Cl 166279118 PFTDBWKSVBQWLD-MFKMUULPSA-N 372.778 3.838 0 1 FHAF CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2)CC3)n1 169702330 UICDZJJRZAHGDE-UHFFFAOYSA-N 371.448 3.603 0 1 FHAF COc1cc(C(=O)c2c(O)cc3c(c2OC)C=CC(C)(C)O3)ccc1O 299864505 RNYNDGYJDSVNNS-UHFFFAOYSA-N 356.374 3.530 0 1 FHAF Oc1cccc([C@H](O)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 586891277 OCHARVKPNDQNHZ-ZDUSSCGKSA-N 358.703 3.902 0 1 FHAF O=C(O)c1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586996585 WGNILBFTFVPCIJ-UHFFFAOYSA-N 360.211 3.678 0 1 FHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Cl)ncc3[nH]2)cs1 587014509 RVCAUCCCPIOAAK-UHFFFAOYSA-N 365.846 3.760 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(Cl)ccnc2[nH]1 587044039 XSODAXYPGRFGON-NSHDSACASA-N 365.245 3.920 0 1 FHAF FC(F)(F)Oc1ccc2c(-c3nc4cc5c(cc4[nH]3)OCO5)n[nH]c2c1 587126944 IWOCJMMZEUEKTQ-UHFFFAOYSA-N 362.267 3.734 0 1 FHAF C[C@@]1(Cc2ncccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333304 CIZHXCKVOVHIBD-CTNGQTDRSA-N 364.376 3.682 0 1 FHAF C[C@@]1(c2ccc(O)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340407 SNJVXFBPDFEOHP-FPOVZHCZSA-N 365.360 3.906 0 1 FHAF CCC[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344889 DDUGFECVQHYNNN-WIYYLYMNSA-N 372.392 3.992 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1nc(C)cc(Cl)n1)O2 587380676 WYZILOKILATKPV-INIZCTEOSA-N 368.824 3.826 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(=O)c3cccnc3)cc1)O2 587393850 AMYTWGFDIKECOZ-FQEVSTJZSA-N 374.396 3.898 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(-c3cc(C=O)ccn3)c1)O2 587394665 YEJHJKCXLBATAR-HXUWFJFHSA-N 359.385 3.553 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)cc(C=O)c1O)[C@@H](C2)C3=O 587449290 IVUOBUWWERQWLQ-BTYIYWSLSA-N 366.413 4.000 0 1 FHAF COc1cc2c3c(c1)OC1(CCC(O)(c4ccccc4)CC1)[C@@H](C2)C3=O 587452879 VSGRDMNZBQBKLK-YTXWROIDSA-N 350.414 3.643 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(O)cccc12 587608332 LDEFIEYNOZXUKX-KNQAVFIVSA-N 360.365 3.901 0 1 FHAF CSc1nccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587661633 PZUCSWAXRWCLMV-UHFFFAOYSA-N 364.405 3.704 0 1 FHAF CC1=C(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)N2C=C(Cl)C=C[C@@H]2N1 587874298 TURYBBRHTUHOMN-OAHLLOKOSA-N 370.771 3.548 0 1 FHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587927801 UTUDJIPRCSRBCA-GFCCVEGCSA-N 358.369 3.959 0 1 FHAF COc1ccccc1CC(=O)c1nc2cc(-c3ccc(N)c(N)c3)ccc2[nH]1 587932170 VFZIWVSABSCJNE-UHFFFAOYSA-N 372.428 3.828 0 1 FHAF CC(C)Cc1nn(-c2cccc(F)c2)cc1C(=O)NCc1ccncc1 1772625730 LXXQBUURWFQDSO-UHFFFAOYSA-N 352.413 3.535 0 1 FHAF CCOc1ccc2c(C)cc(=O)oc2c1COC(=O)c1ccc(F)cc1 1857548320 WDMUSJQVZJZTOJ-UHFFFAOYSA-N 356.349 3.996 0 1 FHAF CCCCC[C@H](O)[C@@H](O)C[C@@H]1OC(=O)c2c(O)ccc(CC=C(C)C)c21 2356509754 ZFTKJAWVCXVCCO-SZMVWBNQSA-N 362.466 3.805 0 1 FHAF NC1=C2CCN(Cc3ccccc3)[C]2Nc2ccc(Br)cc21 2356809505 PMMGJTWKPVTJLV-UHFFFAOYSA-N 355.259 3.940 0 1 FHAF COCCNc1c(-c2cc3ccc(C)c(C)c3[nH]c2=O)nc2ccccn12 13570996 CGQMLXPJSVSKOK-UHFFFAOYSA-N 362.433 3.518 0 3 FHAF NC(=O)O[C@H]1CCN(CCCC(=O)c2ccc(F)cc2)[C@H]2CCCC[C@H]12 607764 RVPQELWEPXXXPC-LNLFQRSKSA-N 362.445 3.517 0 1 FHAF in-man CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(C(=O)Nc3ccc(C)cc3)C1)C2 2356320176 LDOATZZBOXNBEM-WMZOPIPTSA-N 363.461 3.841 0 1 FHAF CN1C[C@@H](NC(=O)C(C)(C)C)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 3802837 QXOFQMUQMXGKGQ-NORZTCDRSA-N 359.901 3.696 0 1 FHAF COC(=O)CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl 3814532 YMFGAYPNXNJNBI-UHFFFAOYSA-N 367.232 3.948 0 1 FHAF Cc1nc(-c2cccs2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCC(C)C)n1 2356301210 YJZBVBKNCBWRDO-RCCFBDPRSA-N 370.566 3.937 0 1 FHAF COc1cc(-c2nc3c4ccccc4nc(=S)n3[nH]2)cc(OC)c1OC 104044892 NIIFUAPQWFHDDF-UHFFFAOYSA-N 368.418 3.633 0 3 FHAF O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@H]1c1ccccc1 103211758 CGBVXXQCJLJGNI-FQEVSTJZSA-N 367.412 3.949 0 1 FHAF O[C@H]1C=C[C@@H]2[C@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100899184 YQWCIPIEEBVRNY-CQWLMVLJSA-N 354.875 3.995 0 1 FHAF in-vitro O=C(CN1[C@H]2CC[C@H]1CC(O)C2)N1c2ccccc2Sc2ccccc21 103997674 BSAAYSOCSFOCDE-GJZGRUSLSA-N 366.486 3.804 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1cc3c(cc1O)OCO3)[C@H](C)[C@H](C)C2=O 2356496822 PAYPMQRYGQALTD-QZXWKGOOSA-N 370.401 3.739 0 1 FHAF O=C(NC1CCOCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66073990 LIDGBRAZRUHROL-UHFFFAOYSA-N 374.746 3.923 0 1 FHAF C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@H]2OC(=O)CCC(=O)O 33821445 IRQUJNVGEAJGSD-KIEDKLRZSA-N 374.477 3.905 0 1 FHAF in-vivo C=CC1=C(C(=O)NC2CCCCC2)[C@H](c2ccc(OC)c(OC)c2)OC1 82158202 HXKLGRAWKIMNQD-FQEVSTJZSA-N 357.450 3.707 0 1 FHAF O=C(CSc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1)c1ccccc1 40407742 LXPMJCDBUBYCIL-UHFFFAOYSA-N 372.396 3.614 0 1 FHAF NC(=O)/C=C/c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 224821863 WERBOMWQBLUEMC-FPYGCLRLSA-N 367.302 3.987 0 1 FHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(O)C=C(C(C)(C)O)CC[C@@H]12 238760025 MSCQHAFYQSSUEH-ADDNLYQESA-N 350.499 3.604 0 1 FHAF O=C(CC1CC1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N[C@H]2CO 95878625 MBJPQUOUDOTXDS-HARLFGEKSA-N 362.473 3.830 0 1 FHAF O=C(Nc1cccc(C(F)(F)F)c1)N[C@H](O)C(Cl)(Cl)Cl 68586558 UYIBZMPYRKEOOD-SSDOTTSWSA-N 351.539 3.516 0 1 FHAF biogenic N=c1nc(-c2ccccc2Cl)c(-c2nc3ccc(Cl)nc3[nH]2)c[nH]1 587060366 CWJNWYBAPYRJRA-UHFFFAOYSA-N 357.204 3.801 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(Cl)cc1)CC2=O 587463204 SRKIQPOFDJLAQE-IBGZPJMESA-N 360.793 3.943 0 1 FHAF CCN1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342376 DQXQXNLZUYJFKF-FPOVZHCZSA-N 355.409 3.745 0 1 FHAF CNc1cc(Cl)ccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587066043 FPDKITGKWISNIW-UHFFFAOYSA-N 356.857 3.757 0 1 FHAF COc1cccc(C2(c3nc4c(S)nc(S)nc4[nH]3)CCCC2)c1 587932595 HJTHIIGMXNYWAM-UHFFFAOYSA-N 358.492 3.799 0 1 FHAF N[C@H](N=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076918 OZBWCYBWPCEGNX-JKSUJKDBSA-N 355.785 3.557 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)cc(F)c2[nH]1 587118018 MUBOHWZSGKKTQB-UHFFFAOYSA-N 363.112 3.884 0 1 FHAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(C)cc3F)[nH]c2c1 587146254 GGQFZJXTXGXSKR-UHFFFAOYSA-N 361.442 3.756 0 1 FHAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(C(C)(C)C)c2[nH]1 586951192 KJGMHUHEDCTDME-UHFFFAOYSA-N 364.496 3.664 0 1 FHAF CC(C)(C)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580653 CMEIUVKSWCZDPA-SFHVURJKSA-N 367.445 3.987 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(C(F)F)n2)N1 587713024 BUZCNZOESFDWSA-CPFSXVBKSA-N 360.177 3.803 0 1 FHAF C[C@]1(c2ccnc(Cl)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553887 WKUOGGMZXFXDPF-DNVCBOLYSA-N 368.776 3.713 0 1 FHAF COc1ccc(-c2nc(C)c(-c3ccc4c(O)nc(O)nc4n3)s2)cc1 587563047 BUHLAKGDICFJPS-UHFFFAOYSA-N 366.402 3.544 0 1 FHAF Cc1nccc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc12 587002253 XVENOZIREGTUHP-ZDUSSCGKSA-N 370.254 3.753 0 1 FHAF O=C1C[C@@]2(CC=Cn3c2nc(Cl)cc3=O)Oc2c1ccc1c2CCCC1 587500374 OHKDDSKJFIXAED-HXUWFJFHSA-N 368.820 3.511 0 1 FHAF C[C@]1(c2ccncn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347119 OHSQENVXLZXUBS-UYAOXDASSA-N 350.349 3.596 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3c(n2)SCC3)N1 587857550 RPGFLHIYQZAZPI-RTHLEPHNSA-N 368.275 3.514 0 1 FHAF CC[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 587956283 QKBUUYVCARDGHE-GFCCVEGCSA-N 359.451 3.886 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncc(F)c2)N1 587734343 QTONZZZJEUEEOM-ABKXIKBNSA-N 353.210 3.920 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 587235032 CJWBOUREXQUKRF-CHWSQXEVSA-N 355.442 3.990 0 1 FHAF COCc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587853249 LRXNAYMRCQCVOK-RMLUDKJBSA-N 371.275 3.815 0 1 FHAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnc1O 587770431 QKWOAHPYOZXSGD-RFAUZJTJSA-N 351.219 3.621 0 1 FHAF CC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)c1 587577168 MOTRVJLHRFUQGG-NQIIRXRSSA-N 363.369 3.636 0 1 FHAF COc1cccc([C@]2(C3CC3)N[C@H](C)Cc3c(OC)ccc(OC)c32)c1 963640639 WXDDESDJDGGEGC-PEBXRYMYSA-N 353.462 3.900 0 1 FHAF O=C(O)CCCCCCCCCCCNS(=O)(=O)c1ccccc1 13822275 ORLWTOZJYPZGAO-UHFFFAOYSA-N 355.500 3.951 0 1 FHAF CN1[C@H]2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1C[C@@H]2O 169344747 NRKFYDQWSIYFGJ-MUGJNUQGSA-N 359.416 3.667 0 1 FHAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc([C@@H](O)C(=O)O)ccc12 205661668 COMMJBCZODQDSY-MRXNPFEDSA-N 365.216 3.818 0 1 FHAF O=C(C1CCCCC1)N1CCC(C(=O)N2N=CC[C@@H]2c2ccccc2)CC1 1857550260 AUHTXVYDYYFURI-HXUWFJFHSA-N 367.493 3.765 0 1 FHAF CC(=O)Nc1nc(C)c(-c2csc(=NC3CCC(C)CC3)[nH]2)s1 1857585735 VMMNKJYKNQCTSD-UHFFFAOYSA-N 350.513 3.946 0 1 FHAF Cc1csc(-c2nc3cc(-c4nc5c(C)ncc(C)n5n4)ccc3[nH]2)n1 1857632496 VEAXKCMQQYAWGX-UHFFFAOYSA-N 361.434 3.716 0 1 FHAF Cc1cccc(N[C@H](NC(=O)c2ccccn2)C(Cl)(Cl)Cl)c1 836827 VMKAWQVYJQICSQ-CQSZACIVSA-N 358.656 3.928 0 3 FHAF CCOCCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(CC)cc1 3025501 QELBDOVXCLWIKC-UHFFFAOYSA-N 351.450 3.744 0 3 FHAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCO 4310680 JWNYNQYZDKHBEP-DLBZAZTESA-N 370.852 3.602 0 1 FHAF CCCc1ccc(N(C)C(=O)COc2onc(C(F)(F)F)c2C)cc1 103199877 APKYYNBPPQLLGP-UHFFFAOYSA-N 356.344 3.996 0 1 FHAF COc1cc(OC)c2c(=O)c(-c3cccc(Br)c3)c[nH]c2c1 103229468 YCJYMJDWFVSPNU-UHFFFAOYSA-N 360.207 3.975 0 1 FHAF CCn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632780 FCPDVNONMCOEMG-KSSFIOAISA-N 366.486 3.843 0 1 FHAF CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 61906692 IDSKXGGFJSLWKR-INIZCTEOSA-N 361.482 3.555 0 3 FHAF N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(F)cc1)C(=O)O 27102771 OKNDVBGKGLECQV-MJSCBBHESA-N 369.373 3.819 0 1 FHAF C[C@@H](CNC(=O)Cc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 66099983 NHMGDIAXSQUQCQ-INIZCTEOSA-N 360.498 3.629 0 1 FHAF CN(C)c1cccc(-c2cnc(N3CCC(c4ncc[nH]4)CC3)s2)c1 66167158 USOVXWOFKVQPGI-UHFFFAOYSA-N 353.495 3.983 0 1 FHAF CN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2c1ncn2CCN 66259291 NAZAWOMAKQKNEK-UHFFFAOYSA-N 367.840 3.555 0 1 FHAF NC(=O)C1CCN(c2ncc(-c3cccc(N4CCCCC4)c3)s2)CC1 66123905 ILZWRVXSUIGJNH-UHFFFAOYSA-N 370.522 3.502 0 1 FHAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c4ccncc4c3c2)cc1 40876662 ZXNPBWSCPHLOOL-UHFFFAOYSA-N 353.403 3.526 0 1 FHAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN(C(C)=O)C3)cc12 226053881 UIQDJWKGZQQWKJ-ZDUSSCGKSA-N 353.397 3.713 0 1 FHAF O=C1NCCc2[nH]c(-c3cccc4cnc(Oc5ccccc5)nc34)cc21 222383739 SIJCUIFJKVCQLY-UHFFFAOYSA-N 356.385 3.703 0 1 FHAF CCCCS(=O)(=O)N1CCCc2nc(-c3ccc(OC)cc3)ccc21 199724974 IJWNUVSBQXWVRD-UHFFFAOYSA-N 360.479 3.640 0 3 FHAF NC(=O)[C@H](N)Cc1c(-c2ccc(Oc3ccccc3)cc2)[nH]c2ccccc12 199115646 MLDDGJWFQVMDBJ-HXUWFJFHSA-N 371.440 3.982 0 1 FHAF C[C@@H](CC(=O)O)NCCOCCN1c2ccccc2Sc2ccccc21 96929385 WNFXBXMZWZDKQF-HNNXBMFYSA-N 372.490 3.759 0 1 FHAF C=C1CCCC(C)(C)[C@]1(O)CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)OC)OO1 85929842 OHYYIYQJXHASNH-YKCBXCCJSA-N 354.487 3.942 0 1 FHAF biogenic COc1ccccc1[C@@H]1CNN=C1C(=O)c1c(O)cc(C)c(Cl)c1C 299867718 YNWLBBLVGXGIOZ-ZDUSSCGKSA-N 358.825 3.597 0 1 FHAF O=c1cc(-c2ccccc2)[nH]c2c(-c3ccc(N4CCCCC4)nc3)cnn12 653680381 CBUVJIAEUCMKKB-UHFFFAOYSA-N 371.444 3.742 0 1 FHAF Fc1cnc(Br)c2nc(-c3cccc(OCC(F)F)n3)[nH]c12 587124282 MLLRZBFJTBSBGA-UHFFFAOYSA-N 373.132 3.565 0 1 FHAF Fc1cnc(Cl)c2[nH]c(C(F)(Br)Br)nc12 587086677 GIRBGVMAHOLUGN-UHFFFAOYSA-N 361.371 3.620 0 1 FHAF COC(=O)c1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cn1 587068942 GONVCPQZKJNHPK-SNVBAGLBSA-N 357.797 3.774 0 1 FHAF COc1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cc1OC 587950402 LISBNKAIFLQRLQ-RKOMNEFPSA-N 370.449 3.734 0 1 FHAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 587168428 VRNXECCXASWAJA-KRWDZBQOSA-N 364.384 3.947 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1COC(=O)C1)CC2=O 587493157 SHKVRAVJHFXAMQ-IVZQSRNASA-N 366.413 3.769 0 1 FHAF C[C@@H](O)c1ncc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)s1 587022735 WKEWUUZQTWXBTA-SCSAIBSYSA-N 360.183 3.780 0 1 FHAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427549 IPUDCOGCTFAGJW-ZEQUCBBFSA-N 353.393 3.553 0 1 FHAF OC1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCC(C(F)(F)F)CC1 587127450 XTRGSBIYDOKGFS-UHFFFAOYSA-N 356.344 3.664 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Cl)(c1nccn1C)O2 587376615 DRKMZFMHQHUERS-FQEVSTJZSA-N 367.836 3.873 0 1 FHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587232071 SKYPWIMDECUMNM-NWDGAFQWSA-N 370.280 3.906 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc[nH]c2=N)N1 587692849 LXGJWPSLQUKOIY-WJWGPLDTSA-N 370.653 3.673 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccccc1C)[C@@H](C2)C3=O 587427029 CEOSTSJBTRTUGN-YCRPNKLZSA-N 351.402 3.539 0 1 FHAF CC(C)=CCn1c2c(c3ccccc31)CC[C@H](CN1CCOCC1)C2=O 59284872 BVOCMGLTZMVNOE-QGZVFWFLSA-N 352.478 3.685 0 1 FHAF COc1cc2c(c(OC)c1OC)[C@@H](c1cc(Cl)ccc1F)CC(=O)N2 219424398 WCLRSRZPDDJOEO-LLVKDONJSA-N 365.788 3.979 0 1 FHAF O=C(c1coc(COc2cccc(F)c2)n1)N1CCc2ccccc2C1 12588778 XFSNPEINIBBGFD-UHFFFAOYSA-N 352.365 3.591 0 1 FHAF COc1ccccc1NCC1CCN(C[C@H]2COc3ccccc3O2)CC1 13799918 TYCFPCOJYDWOEP-SFHVURJKSA-N 368.477 3.659 0 1 FHAF Clc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1Cl 13862514 HRYDPQMCWYAUTL-UHFFFAOYSA-N 361.276 3.963 0 1 FHAF COc1ccc(C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)O)cc1 1857566917 YRRXVUMICWUKLO-HOTGVXAUSA-N 353.340 3.584 0 1 FHAF Cc1cc(C)cc(Nc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1 1857579741 KDIQAYIYFWBPGI-UHFFFAOYSA-N 362.481 3.933 0 1 FHAF O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2456079 LCURCBGBMNDJNO-NHCUHLMSSA-N 360.457 3.582 0 1 FHAF C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1cccc2cccnc12 2465262 JDIUXYGMZNJEMD-CYBMUJFWSA-N 356.422 3.904 0 1 FHAF COc1cc([C@@H]2CN=C(c3cc4ccccc4n3C)O2)cc(OC)c1OC 27523187 DYFMCCXYZWOPNP-IBGZPJMESA-N 366.417 3.722 0 1 FHAF CCCN1CCC[C@H](CNC(=O)CSc2nc3ccccc3s2)C1 28233605 CLCSUHJXQTUJFK-CQSZACIVSA-N 363.552 3.627 0 1 FHAF CS(=O)(=O)c1ccc(Nc2c(-c3ccncc3)nc3ccccn23)cc1 40893526 AQCNLTANEHUTQC-UHFFFAOYSA-N 364.430 3.543 0 1 FHAF CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2C[C@H]2C)c(Cl)c1 43073656 HXLHSQSKXGQBDL-QMRFKDRMSA-N 371.930 3.971 0 1 FHAF O=C(OCc1ccccc1)C(Br)(C(F)(F)F)C(F)(F)F 68573916 FGMIZKSZYOZIOA-UHFFFAOYSA-N 365.067 3.988 0 1 FHAF biogenic c1cnc(-c2ccc3[nH]cc(-c4ccc(N5CCNCC5)cc4)c3c2)cn1 73138390 NZRSCXANLQLBGL-UHFFFAOYSA-N 355.445 3.702 0 1 FHAF O=C(Nc1ccc(-n2cccn2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12 73140664 AFHYCGYDYZUOQH-UHFFFAOYSA-N 364.792 3.828 0 1 FHAF O=C(C1CCC(F)(F)CC1)N1CC(c2nc(-c3cccc(F)c3)no2)C1 95575425 ABJHPDKSDCWPPH-UHFFFAOYSA-N 365.355 3.627 0 1 FHAF COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1 96933703 JOPSQDQFGNRVMB-UHFFFAOYSA-N 359.426 3.573 0 1 FHAF O=C(C1CCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 100105173 VOPNJQQCSVXGIX-URTIZKOJSA-N 358.485 3.923 0 1 FHAF N=C1N[C@@H](c2ccc(C(=O)O)cc2)C[C@H]2CC[C@H](CCc3ccccc3)N12 103262089 FFQZFZWPKVYXFZ-XUVXKRRUSA-N 363.461 3.820 0 1 FHAF CCCS(=O)(=O)CCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N)CC2 141823562 SIPHFNMNWJYHIT-FCHUYYIVSA-N 371.546 3.654 0 1 FHAF CC(C)[C@](O)(c1ccc2cc(OCC(F)(F)F)ccc2c1)c1c[nH]nn1 148507277 LNCAMLLVHZJNDI-SFHVURJKSA-N 365.355 3.791 0 1 FHAF COc1ccc2nc(C(F)(F)F)cc([C@H](O)C[C@@H]3CCCCN3)c2c1 169334020 JBOMJJNUUWGZGW-MEDUHNTESA-N 354.372 3.828 0 1 FHAF CCN(CC)C(=O)/C=C/c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ncccc1-3 169349949 QWHAQSLSLZKBIM-CSKARUKUSA-N 374.444 3.606 0 1 FHAF COc1cc(C)cc2cc(-c3c(CO)c(Cl)n4ncnc(N)c34)sc12 218049164 UFVOGVZHHYUAOQ-UHFFFAOYSA-N 374.853 3.656 0 1 FHAF Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H]3CCCNC3)c2F)cn1 224571915 BQECLAVRRAHRND-ZDUSSCGKSA-N 356.445 3.511 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4cc([C@@H](N)N=O)ccc4[nH]3)oc12 586904628 ZYOMRJHDGBQBTN-KRWDZBQOSA-N 350.334 3.521 0 1 FHAF COc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1OC 587007222 WXXBSVSAAJEDEY-UHFFFAOYSA-N 373.210 3.657 0 1 FHAF CC(=O)N1CCc2nc3c(C)ccc4c3c(c2CC1)-c1ccccc1C4=O 587098238 SGBPEPCJUYLLAC-UHFFFAOYSA-N 356.425 3.702 0 1 FHAF COc1cc(-c2nc3ccc(C(C)=O)cc3[nH]2)nn1-c1ccccc1F 587157123 WLSCLUWBOMKWJB-UHFFFAOYSA-N 350.353 3.766 0 1 FHAF C[C@@H]1CC2(C[C@@H](C)N1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345641 JDZLVOUVOGMJMC-VLXJIEOASA-N 355.409 3.789 0 1 FHAF CCOC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347030 KPJUUFRVDBEUQS-PZJWPPBQSA-N 372.392 3.992 0 1 FHAF C[C@@H]1C[C@]2(CC[C@@H]1O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349211 FLKGSOKALSZGCP-YZESWHLOSA-N 356.393 3.810 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccc(Cl)cc3)nn1)O2 587380645 WVEMUVRYAVFDFP-SFHVURJKSA-N 368.824 3.577 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)NC(C)C)cc1)O2 587385902 FRUTZWXPBPKFSH-NRFANRHFSA-N 367.449 3.988 0 1 FHAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)c1=S 587610829 DZXJPYBKLDSFFD-CRAIPNDOSA-N 368.414 3.502 0 1 FHAF COc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774785 XTIDGWZXMLWQHL-BMLIUANNSA-N 365.246 3.790 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C)(C)C(=O)C2(C)C 587817704 ABJYRWSCLCQRTC-SECBINFHSA-N 354.263 3.953 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC2(C(=O)O)CCC2)N1 587827088 NLCWHOCKVRUNPR-HWPZZCPQSA-N 370.262 3.983 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCCC[C@@H]1C(=O)C(C)(C)C)NCC2 962931594 OMBZEMQWALMPLN-VGSWGCGISA-N 356.510 3.535 0 1 FHAF CC(C)(C)[C@@H](NC(=O)/C=C/c1ccccc1)NC(=S)NC1CCCCC1 1772628945 IACAZXFDZOXPOC-IQGVVSCOSA-N 373.566 3.985 0 1 FHAF O=C(Nc1ccccc1)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 1772629111 ZHDPMPLGMKQADI-UHFFFAOYSA-N 370.416 3.731 0 1 FHAF O=C(O)c1ccccc1Nc1c(Cl)cc(-c2nn[nH]n2)cc1Cl 1857535939 KLDZHLHDETXMBR-UHFFFAOYSA-N 350.165 3.615 0 1 FHAF CC1=C(CC(=O)O)c2ccccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 1857768776 ZMSHPHQABIIBML-WQRHYEAKSA-N 354.427 3.893 0 1 FHAF CC1(C)C(=O)CC[C@H]2[C@@]13C=C[C@@H]1[C@@]2(CC[C@]2(C)C(=O)CC[C@]12C)C(=O)O3 2356441011 ZZCFOYQURYOXSX-GKFCVFEGSA-N 356.462 3.629 0 1 FHAF COc1cccc(-c2csc(N[C@H](Cc3ccccc3)C(=O)O)n2)c1 1520521 GGIXJEGUWCVFRS-MRXNPFEDSA-N 354.431 3.927 0 1 FHAF Clc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1Cl 1540567 XFUOIMWLAPSVGQ-UHFFFAOYSA-N 361.276 3.801 0 1 FHAF O=C(CN1[C@H]2CC[C@@H]1CC(O)C2)N1c2ccccc2Sc2ccccc21 2462515 BSAAYSOCSFOCDE-XYPWUTKMSA-N 366.486 3.804 0 1 FHAF CCN1CC[C@@]2(C)c3cc(OC(=O)NCc4ccccc4)ccc3C[C@H]12 13453892 PVMNTYXKDFRXKP-UNMCSNQZSA-N 350.462 3.883 0 1 FHAF COc1c(C(=O)CCc2ccc3c(c2)OCO3)c(O)c2ccoc2c1OC 14447739 VNTLKSDVRKGNNM-UHFFFAOYSA-N 370.357 3.700 0 1 FHAF biogenic Cc1c(O)c(C(=O)CCc2ccccc2)c2c(c1O)[C@H](O)CC(C)(C)O2 14821427 XEMFSBOBBNFLGA-OAHLLOKOSA-N 356.418 3.816 0 1 FHAF biogenic COc1ccccc1CSc1nnc(Nc2ccc(OC)c(OC)c2)[nH]1 14964232 SVBPPCULWIQVTO-UHFFFAOYSA-N 372.450 3.866 0 1 FHAF Cc1nc2sc3c(c2c2ncn(CC4CC4)c12)CCC1(C3)OCCO1 26500233 SXNMCTHYWIVXTR-UHFFFAOYSA-N 355.463 3.596 0 1 FHAF COc1cc2c(cc1OC)C(C(=O)c1cccc(Br)c1)=NCC2 26667611 JWCPACHAPIZAGS-UHFFFAOYSA-N 374.234 3.694 0 1 FHAF O[C@H](CCNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 28823939 CFAIJELKYFWCTL-DQYWGJDHSA-N 354.494 3.856 0 1 FHAF in-vitro COc1cc2ncc(C(N)=O)c(Nc3cc(C)ccc3F)c2cc1OC 34221571 DRLAQNVAPJIJNS-UHFFFAOYSA-N 355.369 3.542 0 1 FHAF Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@H](C)Oc1ccccc1 40949694 DLHZJWFNNURKBI-AZUAARDMSA-N 352.478 3.543 0 1 FHAF O=C(c1cncc(Oc2ccc(F)cc2)c1)N1CCCN(C2CCC2)CC1 43205644 GVZVZGZLZKIFGT-UHFFFAOYSA-N 369.440 3.713 0 1 FHAF Cc1nc(C)c(-c2ccc3ncnc(NCCc4c[nH]cn4)c3c2)s1 64447212 URLBWLNNFNKJAI-UHFFFAOYSA-N 350.451 3.748 0 1 FHAF COC[C@H](OC(C)=O)[C@@H]1OCc2ccccc2[C@H]1/C=C/c1ccccc1 66136644 SSAJXUFJYJHGDQ-CVBQZCKISA-N 352.430 3.961 0 1 FHAF O=C(COc1ccc(F)c(Cl)c1)N[C@H]1CCCN(CC2CCCC2)C1 66166601 ZCGDSHQCSRMBIO-HNNXBMFYSA-N 368.880 3.629 0 1 FHAF O=C(OC1C[C@@H]2CC[C@H](C1)N2C[C@H](O)c1ccccc1)c1ccccc1 66166944 CAELFFAMXVUOKR-JKWVGCSGSA-N 351.446 3.572 0 1 FHAF in-vitro COc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)cc1C 69482028 JAIXVJMOBGGVHC-UHFFFAOYSA-N 372.373 3.508 0 1 FHAF biogenic,in-vitro CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccco2)C1 82142661 JCFMTLODYIUNJV-GJZGRUSLSA-N 356.470 3.843 0 1 FHAF CN1C/C=C/COCc2ccc(o2)-c2ccnc(n2)Nc2cccc(c2)C1 84704459 NAMNDYOCPPYNFK-NSCUHMNNSA-N 362.433 3.998 0 1 FHAF CN(C)CC[C@H](NC(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccccc1 95587334 QPDAFPVNIOVXCG-FQEVSTJZSA-N 363.465 3.891 0 1 FHAF C[C@H]1C=CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3cccs3)C(=O)[C@H]12 100557726 ITBIMKNRHQWUBG-GDZNZVCISA-N 367.426 3.669 0 1 FHAF CSc1ccc2c(c1)c(O)c(C(=O)C1(c3ccccc3)CC1)c(=O)n2C 101351080 UBRUAVFHCKDCGW-UHFFFAOYSA-N 365.454 3.881 0 1 FHAF CSc1nn(-c2ccccc2)c2cc([C@@H](O)C3CCNCC3)ccc12 165939022 LNQJNRYWEQLFND-IBGZPJMESA-N 353.491 3.780 0 1 FHAF COc1ccc(-c2csc(-n3[nH]c(C)c(-c4cc(C)no4)c3=O)n2)cc1 169330754 SZLBEISMESFGHT-UHFFFAOYSA-N 368.418 3.570 0 1 FHAF Cc1cc(N)nc(-c2c[nH]c3ccc(-c4nnc(NC(C)(C)C)o4)cc23)n1 221720468 RPXPSOHJVFMQAQ-UHFFFAOYSA-N 363.425 3.776 0 1 FHAF CCn1cc(Br)c(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)n1 586999643 DMSUEWVHLXPXGD-UHFFFAOYSA-N 362.275 3.825 0 1 FHAF OCc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082087 JVQWGBVBFBGDHD-UHFFFAOYSA-N 354.797 3.609 0 1 FHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(CCO)cc2[nH]1)C(C)(C)C 587206931 YXGVPANQJAYMCU-MRXNPFEDSA-N 361.486 3.580 0 1 FHAF Cc1cc(C)c2[nH]c([C@@H](N)CCCNC(=O)OCc3ccccc3)nc2c1 587258912 AOAVQWYQAKYYFJ-KRWDZBQOSA-N 366.465 3.886 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cc(C)ccn1)CC2=O 587471659 UYBMRAUXWTZYRR-NRFANRHFSA-N 368.433 3.801 0 1 FHAF COCCC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCC1 587594376 HCECRXDEDNZIJW-YLJYHZDGSA-N 354.402 3.929 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)OCO2 587609118 MFAUSVLVKJHGSH-RXVVDRJESA-N 362.337 3.824 0 1 FHAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2Cn2ccnc2)cc1 587649874 DDNGUEJCVXJXCL-UHFFFAOYSA-N 365.458 3.792 0 1 FHAF CCn1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587736938 CKASYAHMRBZFAF-XLKFXECMSA-N 356.214 3.567 0 1 FHAF CC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)c1 587751624 NEKGKSIHHAUQPU-VVVCHXIZSA-N 365.246 3.753 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C)N(C3CC3)C2)N1 587763215 XQYBEWZWRAXRTP-CZIZLABSSA-N 353.279 3.574 0 1 FHAF COc1cc(O)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805227 DTQQQFMSRPEBHN-XYZCENFISA-N 366.230 3.926 0 1 FHAF COC(=O)c1ccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1OC 587929188 GYIPEKZRQSNNDO-SZNDQCEHSA-N 366.417 3.812 0 1 FHAF C[C@@]1(c2cccs2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962635061 ODIFJEZBQFRNJV-BONVTDFDSA-N 357.353 3.509 0 1 FHAF CC1(C)N[C@@H](CCc2ccc(O)cc2)CC(=O)[C@H]1Cc1ccc(O)cc1 1857574774 ITHHUWIFVJJZCS-FXAWDEMLSA-N 353.462 3.599 0 1 FHAF O=C1N[C@@H](c2ccc(Br)cc2)c2c(-c3ccccc3)n[nH]c21 5615048 SUIWKOFIGXJHBE-AWEZNQCLSA-N 354.207 3.672 0 3 FHAF COc1ccccc1CNC(=O)c1cc(-c2cc(Cl)ccc2C)n[nH]1 61925632 KJSCYLSHRBTMER-UHFFFAOYSA-N 355.825 3.977 0 3 FHAF COc1ccc2c(c1)[C@@H](NC(=O)c1ccncc1)[C@@H]1Cc3ccccc3[C@H]21 199724445 SYEVWQHGIGBCII-YPAWHYETSA-N 356.425 3.879 0 3 FHAF CCCN(C(=O)Cc1c(C(=O)O)[nH]c2ccccc12)c1ccc(F)cc1 2461796 VTHOAZKDOXWYFY-UHFFFAOYSA-N 354.381 3.991 0 1 FHAF N=C(N)c1ccc2ncn(CC(=O)Nc3ccc(-c4ccccc4)cc3)c2c1 13835117 RZNUGBGSZGDVAX-UHFFFAOYSA-N 369.428 3.626 0 1 FHAF CCCCCCN1CCN(c2ccc(I)cc2)CC1 27073594 AZVJMYITYIJLDD-UHFFFAOYSA-N 372.294 3.994 0 1 FHAF CCCCC[C@H](O)CC[C@@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 27874958 OEDXRWPENJANEX-MHORFTMASA-N 356.503 3.699 0 1 FHAF NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl 28711989 DPQVQYANLPNWMQ-UHFFFAOYSA-N 350.749 3.641 0 1 FHAF COc1ccc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2n1 45364616 UPCYFJWSQIEPNE-UHFFFAOYSA-N 353.374 3.500 0 1 FHAF CSc1cccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2ccccc2)c1 45498500 UMIVGAIVAKLKCS-IAGOWNOFSA-N 370.518 3.961 0 1 FHAF CCSc1nc(=O)c2c([nH]1)N=C1CCCC(O)=C1[C@H]2c1ccc(O)cc1 95481429 XJVFZXIADRSIDM-CQSZACIVSA-N 369.446 3.802 0 1 FHAF COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccccc4)c32)cc1 96940386 KKOMZBWXKOQQHU-UHFFFAOYSA-N 364.426 3.949 0 1 FHAF Fc1ccc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(Br)cc2)cc1 100087873 VDFDMHVAVYFOKJ-PIIMJCKOSA-N 361.258 3.528 0 1 FHAF CC(C)(C(=O)O)[C@@H]1CC[C@]23C[C@@H](CC[C@@H]2[C@@]1(C)CC(=O)O)[C@@]1(C)O[C@@H]31 100782195 QGTMYAPGXJWNQR-XGKOTCSZSA-N 350.455 3.562 0 1 FHAF endogenous,in-man O=C1N(Cc2ccccn2)c2ccccc2[C@@]12COc1cc(F)c(F)cc12 103191008 MYQDQFCMCMXVDJ-OAQYLSRUSA-N 364.351 3.585 0 1 FHAF COc1ccc(OC)c(CCc2nnc(-c3ccc4[nH]cnc4c3)s2)c1 118805317 MNFOQDSKCWTBBI-UHFFFAOYSA-N 366.446 3.884 0 1 FHAF CCOC(=O)c1n[nH]c2c1C[C@@H]1[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]21C 261182908 WMQJMIBEOIXGLX-IRMTXWDGSA-N 366.461 3.862 0 1 FHAF Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1 473098158 FKKBESIUKQKYJF-CQSZACIVSA-N 366.396 3.526 0 1 FHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C)c(C)c3[nH]2)c1 586930371 KNXDOVUKDJSUDO-UHFFFAOYSA-N 357.479 3.877 0 1 FHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)cc(OC)c2[nH]1 586963098 KCKRKTGJLSMMOG-ZDUSSCGKSA-N 360.439 3.628 0 1 FHAF O=C1c2ccccc2-c2cc(CC(=O)C(F)(F)F)nc3ccc(O)c1c23 586987438 WFVRVEHAOHAAMZ-UHFFFAOYSA-N 357.287 3.826 0 1 FHAF Cc1ccnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 586999872 CWRMDKQJJSKXIW-IHWYPQMZSA-N 372.222 3.970 0 1 FHAF CCO[C@H](C)c1nc(C)c(-c2nc3nc(Br)c[nH]c-3n2)s1 587013958 DRBWLYSLSHCCEF-SSDOTTSWSA-N 368.260 3.596 0 1 FHAF FC(F)c1c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cnc2ncnn12 587128892 SFRPIZBZUVVSNS-UHFFFAOYSA-N 370.241 3.504 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cccc(Cl)c1)O2 587377428 IGTYLCNAIDULDS-IBGZPJMESA-N 358.825 3.983 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OC(F)(F)F)ccc1O)O2 587382260 LEAVWBPNYZOCFL-HNNXBMFYSA-N 353.296 3.888 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc3c(c1)CCC3)O2 587402946 BHPVQKQNKQTIQO-JOCHJYFZSA-N 365.429 3.791 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(O)cc1C(F)(F)F)[C@@H](C2)C3=O 587420323 JWPLNCVLRBZYIL-SJCJKPOMSA-N 350.292 3.908 0 1 FHAF COc1cc2c3c(c1)O[C@@](/C=C(\C)N(C)C)(c1ccsc1)[C@@H](C2)C3=O 587450521 FRDCXZQZOCDUOT-KZWPVFNASA-N 355.459 3.865 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cc(C)ccn1)CC2=O 587471660 UYBMRAUXWTZYRR-OAQYLSRUSA-N 368.433 3.801 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ccnn3c1C)CC2=O 587481646 HBCJOSTTXANUBS-HXUWFJFHSA-N 351.406 3.576 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O)c(OC)c1)CC2=O 587484260 ZJLWLZRHIPCDRY-MRXNPFEDSA-N 358.390 3.774 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1csc(-c3ncccn3)n1)CC2=O 587495546 OYBPYPJXMGIQNA-INIZCTEOSA-N 367.430 3.965 0 1 FHAF CCn1cc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517729 TUEDGKKXENTJEB-VDZCTEQFSA-N 365.477 3.718 0 1 FHAF O=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H](c2ccccc2)N1 587527718 VZCPTRVEUPEKOM-XXBNENTESA-N 361.441 3.921 0 1 FHAF CC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)c1 587577169 MOTRVJLHRFUQGG-RXVVDRJESA-N 363.369 3.636 0 1 FHAF CC[C@@]1(C2CCNCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593940 JNADWKZPIFLHQH-RXVVDRJESA-N 353.418 3.502 0 1 FHAF CC(C)[C@@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587614261 BQJFJTJFLOKDOA-WAOWUJCRSA-N 354.402 3.928 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)c(N)c2)N1 587747220 KRAGSOJSNWWTCR-VVVCHXIZSA-N 364.262 3.550 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)c(O)c2)N1 587747266 KZTXJOHKRUJCPK-XYZCENFISA-N 365.246 3.674 0 1 FHAF CC(C)[C@]1(Cn2cccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587758420 IYWDNHMJTWSXRN-PXAZEXFGSA-N 366.278 3.870 0 1 FHAF CCn1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587764407 PLYHHQGOYZIMNP-XXFAHNHDSA-N 352.251 3.737 0 1 FHAF CCCN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587770752 UBEYEFSEPBHQAR-LBPRGKRZSA-N 355.295 3.824 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C(=O)O)cn1 587862419 ABGFAOJDAVYSHX-UHFFFAOYSA-N 363.295 3.660 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccnc1C1CC1 587868712 POZXFVCHMASUKH-UHFFFAOYSA-N 361.327 3.629 0 1 FHAF Fc1ccc2c(c1)-c1cc(n(-c3nc(Br)cn4ccnc34)n1)O2 587872846 RTBUTLAHYGQZBO-UHFFFAOYSA-N 372.157 3.589 0 1 FHAF COc1cc2c(cc1F)[C@@]1(CC2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618035 CSYRRDYCCAOGJD-XMHCIUCPSA-N 371.452 3.918 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 962900323 POLAAUFQUSINIV-MAUKXSAKSA-N 371.799 3.558 0 1 FHAF COc1cc2cc([C@@H]3NCCc4c(C)ccnc43)c(Cl)nc2cc1OC 963082700 BNGTVFXWJKZDMF-IBGZPJMESA-N 369.852 3.844 0 1 FHAF CN1CCc2c(Br)cccc2[C@]12CC[C@@H](C(F)(F)CN)C2 963279307 GQSOYLWKBHAJGH-IAQYHMDHSA-N 359.258 3.526 0 1 FHAF Cc1ccc(CN2CC[C@@H](N3CCC[C@@H](c4ccc(O)cc4)C3)C2=O)cc1 1772609029 IOZDYULPBYTTHU-IFMALSPDSA-N 364.489 3.681 0 1 FHAF COc1cccc(OC)c1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772615973 IUZDFIHBUTUINR-OAHLLOKOSA-N 368.389 3.669 0 1 FHAF N=c1c2c([nH]c3ccccc13)CC[C@@H](C(=O)NCCCc1ccccc1)C2 1857754532 OYHDIURQIIDFSG-QGZVFWFLSA-N 359.473 3.501 0 1 FHAF N[C@]1(CO)CC[C@H](c2ccc3c(c2)CC[C@@H](COc2ccc(F)cc2)C3)C1 1911570452 INUSCEYKNFZDGM-NIJIEXERSA-N 369.480 3.967 0 1 FHAF COc1cccc2c1N(C(C)=O)[C@@]13CCC[C@@]4(CCCN5CC[C@]21[C@@H]54)CC3 2356341524 QUJGDBXRYRHXEW-WBADGQHESA-N 366.505 3.871 0 1 FHAF CC(C)=CC[C@@H](O)C(C)=CCc1cc(C(=O)O)cc(CC=C(C)CO)c1O 2356577437 DQNFLBXNPGBCOU-HXUWFJFHSA-N 374.477 3.778 0 1 FHAF Cc1ccc(-c2noc(CCC(=O)NCCc3ccccc3Cl)n2)cc1 4078702 CAYKILPGCCBFEL-UHFFFAOYSA-N 369.852 3.990 0 3 FHAF Cc1ccc(C)c(N2CCN([C@@H](C(=O)NC3CCCC3)C(C)C)CC2)c1 95601703 DJYKRZORDGBNOS-OAQYLSRUSA-N 357.542 3.509 0 3 FHAF O=C(C[C@@]1(O)C(=O)c2ccccc2-c2ccccc21)OCc1ccccc1 13462282 UNHYCIHISZXHHX-QHCPKHFHSA-N 358.393 3.871 0 1 FHAF biogenic,in-vitro CCc1ccsc1-c1nn(CCn2ccnc2)c(=O)c2ccccc12 13600520 XGRUITXUIHATBW-UHFFFAOYSA-N 350.447 3.584 0 1 FHAF COc1cc2c(cc1OC)[C@H](O)[C@H](C)[C@@H](C)[C@H]2c1ccc2c(c1)OCO2 14641105 JFWINFODWGRQNJ-LPCJDBFKSA-N 356.418 3.884 0 1 FHAF biogenic CN1C[C@H](CNCCc2c[nH]c3ccc(F)cc23)Oc2cc(Cl)ccc21 28571776 RHAILIIWDRRHNA-INIZCTEOSA-N 373.859 3.990 0 1 FHAF CCOC(=O)C[C@H]1C(=O)n2nc(C)c(-c3ccc(Cl)cc3)c2N=C1C 36378093 GSBXRLHDYXMJBS-CQSZACIVSA-N 359.813 3.828 0 1 FHAF COc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1OC 40565044 CDWFTTQUOCOAIK-UHFFFAOYSA-N 372.424 3.994 0 1 FHAF CCN(CC)C(=O)c1c(NCC(C)C)c2cccnc2n2c(C)cnc12 45321904 RHRHMFRHZIUNBY-UHFFFAOYSA-N 353.470 3.741 0 1 FHAF O=C(NCC1CCCCC1)Nc1ccc(Oc2ncnc3[nH]ncc23)cc1 95587777 VLGJCFHJGFMVLX-UHFFFAOYSA-N 366.425 3.847 0 1 FHAF Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CCO)CC3)cc2)nc1C(N)=O 101581732 BUVUEKVZSMDFQG-IYBDPMFKSA-N 353.466 3.516 0 1 FHAF O=C(NC1CCCCC1)[C@@H]1[C@@H](C(=O)NC2CCCCC2)[C@H]2C=C[C@H]1CC2 106594445 DXYPNJIKNCAFIE-FVCZOJIISA-N 358.526 3.713 0 1 FHAF biogenic COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@@H]1C(C)(C)CCC[C@]21CO 137057480 SGAZGMYTQGLNFD-LRTDBIEQSA-N 362.466 3.873 0 1 FHAF O=C(O)c1ccc(NC(=O)c2ccccc2Oc2ccc(F)cc2)cn1 143190648 FRRLKNVOLWLUMB-UHFFFAOYSA-N 352.321 3.964 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1ccc(F)cc1F 169723607 ANVDFHUXDDOQOT-RDJZCZTQSA-N 365.376 3.539 0 1 FHAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1 586984753 PGIQHOLXQYNTBR-INIZCTEOSA-N 358.239 3.745 0 1 FHAF O=C(O)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)on1 586989656 NYFLAEGQXBRGNH-UHFFFAOYSA-N 358.309 3.505 0 1 FHAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(CCO)cc2[nH]1 587076253 SLAIHKPXAHYQBT-UHFFFAOYSA-N 352.825 3.912 0 1 FHAF Clc1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)nc1Cl 587084400 LSGAEQSRWGEJDD-UHFFFAOYSA-N 363.248 3.764 0 1 FHAF CCS(=O)(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 587092434 ORRVPLVEAYZGBH-UHFFFAOYSA-N 373.356 3.506 0 1 FHAF N[C@H](Cc1nc2cc(Cl)ncc2[nH]1)c1ccc(Br)cc1F 587143041 UAJDOUFUAVPBLB-SNVBAGLBSA-N 369.625 3.755 0 1 FHAF N[C@H](c1nc2ccc(F)c(Br)c2[nH]1)c1ccc(F)cc1F 587151743 VNCFJBSOSRNPBN-LBPRGKRZSA-N 356.145 3.791 0 1 FHAF Fc1cc2c(c(Cc3nc4cc(Cl)c(Cl)nc4[nH]3)c1)OCOC2 587171781 SLIKJFABOLLRJG-UHFFFAOYSA-N 354.168 3.861 0 1 FHAF Cc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587341834 XWUIRYSOBOFBMK-PZJWPPBQSA-N 364.376 3.904 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(F)cc1F)O2 587384652 HBDXCJOFWJBISH-LJQANCHMSA-N 360.360 3.608 0 1 FHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCCC1 587392793 DGZPXUBRBQJVCH-IBGZPJMESA-N 352.434 3.893 0 1 FHAF O=C1C[C@](C(=O)O)(c2ccc3c(c2)CCC3)Oc2c1ccc1c2CCCC1 587528686 DSVSUOJDYSNPNS-HSZRJFAPSA-N 362.425 3.999 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn2nccc12 587584930 CBLFIBZLBMMLLU-NQIIRXRSSA-N 358.353 3.743 0 1 FHAF Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)c1C 587755289 OMZMJVBVJMDBFI-GLEZIHRCSA-N 352.251 3.562 0 1 FHAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587773727 RSPOZXGDLRVOMA-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF COc1ccc2c(OCCn3c(=O)oc4cc(C)ccc43)ccnc2c1 653747413 KRXJJVMYIHNQHH-UHFFFAOYSA-N 350.374 3.539 0 1 FHAF Cc1cc(C)n(C[C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)n1 962648868 XDBYLPQPZOUWCF-LADGPHEKSA-N 372.516 3.988 0 1 FHAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(CC1OCCO1)c1ccccc1F 963111813 RNFRHFFMVPMTQW-VGOFRKELSA-N 371.427 3.992 0 1 FHAF CCc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)[nH]1 963175731 HIVCGTPTZWIODB-HUUCEWRRSA-N 372.774 3.938 0 1 FHAF O[C@H](Cn1cncn1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 1857652338 AKKHEAULOASSHP-CYBMUJFWSA-N 361.232 3.754 0 1 FHAF CCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)cc(CCC)c1C(=O)O 2356722421 GYELDYQMOAGWNV-UHFFFAOYSA-N 374.389 3.626 0 1 FHAF COc1ccc([C@H]2O[C@H](COc3ccc(Cl)cc3)CN2C(C)=O)cc1 27522680 PGEMHRBKBSVUTH-RBUKOAKNSA-N 361.825 3.674 0 1 FHAF COc1cc([C@H]2Oc3c(OC)cc(C=CCO)cc3[C@H]2C)cc2c1OCO2 2356563704 ALMMZKOPVITQNK-BLVKFPJESA-N 370.401 3.675 0 1 FHAF COc1ccc2c(c1CCC(C)(C)O)O[C@@H]1c3ccc(O)cc3OC[C@H]21 15115233 QSWBCPQDDKJHGF-OXQOHEQNSA-N 356.418 3.714 0 1 FHAF biogenic COc1cc(-c2n[nH]c3nccc(-c4cccnc4)c23)cc(OC)c1OC 82078811 FXNSIXYIYGSGSV-UHFFFAOYSA-N 362.389 3.713 0 1 FHAF COc1cc2nc(NCCCCc3ccccc3)nc(N)c2cc1OC 82131647 XWWSYEKAEQYHTL-UHFFFAOYSA-N 352.438 3.664 0 1 FHAF O=C(O)c1cn(CCO)c2ccc(-c3cc4ccccc4s3)cc2c1=O 84690462 NGRFFLRFNOPOLF-UHFFFAOYSA-N 365.410 3.574 0 1 FHAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3cc(C(F)(F)F)ccn3)cc2)S1 45389659 YJZYJPILSDIJSW-GFCCVEGCSA-N 368.336 3.787 0 1 FHAF COc1cccc(-c2c(C(=O)N3CCCC[C@@H]3CO)cc3ccccn23)c1 95557484 CORFFCKGBFFQAQ-GOSISDBHSA-N 364.445 3.602 0 1 FHAF CN(C)CCOc1nc(-c2[nH]c3ccccc3c2C=O)nc2ccccc12 2382216361 BEUSOHUBVZKWKM-UHFFFAOYSA-N 360.417 3.531 0 1 FHAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccnc(O)c4[nH]3)c(F)c2)c1 587138723 RZGYJECBEQNSGL-UHFFFAOYSA-N 367.311 3.974 0 1 FHAF O=C(NC1CCCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655630 BVQACPSXXMDBTO-UHFFFAOYSA-N 369.371 3.842 0 1 FHAF CC(C)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582649 MFHBLCFCFDIBQR-SFHVURJKSA-N 353.418 3.597 0 1 FHAF N=c1[nH]c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2o1 587579051 YCLXNUBQTFUHBX-XLIONFOSSA-N 374.352 3.649 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cn3cncn3)c(C)cc1C)O2 587389628 BTGGAIVVDXDJAD-FQEVSTJZSA-N 362.433 3.540 0 1 FHAF O=C(O)CCN(CCc1nc2ccc(Cl)cc2[nH]1)Cc1ccccc1 587193974 VNTVKNICEHUQJW-UHFFFAOYSA-N 357.841 3.736 0 1 FHAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(=N)[nH]ccc2[nH]1 586982038 YORCUSLIDUJKJW-UHFFFAOYSA-N 368.238 3.899 0 1 FHAF CCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1OCC 587440714 HXINMJQDZLXESP-FOIQADDNSA-N 354.402 3.981 0 1 FHAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-n1cnnc1 587516469 UBXRFMDGBMKEGF-FQEVSTJZSA-N 362.433 3.593 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1coc4cc(C)cc(C)c4c1=O)[C@@H](C2)C3=O 587450846 GTVPUEWPKRWYPS-RCDICMHDSA-N 362.381 3.907 0 1 FHAF Cc1c(F)ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587131945 GLQYELCZLAHBHX-SNVBAGLBSA-N 355.360 3.980 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cc(C(=O)OC)ccc1N 963235601 XBBOTHBJSDNRES-QRQCRPRQSA-N 352.478 3.976 0 1 FHAF NC(=O)N1CCc2sccc2[C@H]1c1cccc(OC(F)(F)F)c1F 962710186 LJNLLRRPMCIDBS-ZDUSSCGKSA-N 360.332 3.812 0 1 FHAF Cc1nc2ccc(Cl)cn2c1[C@]1(C)NCCc2c1c(C(C)C)nn2C 962911120 OSMRLUVPNFUVNR-LJQANCHMSA-N 357.889 3.562 0 1 FHAF COc1cc(OC)c([C@@H]2C[C@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC 1772571544 STKXXWMTZYSVQE-VUCAUUSGSA-N 366.429 3.598 0 1 FHAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2sc(N3CC=CC3)nc12 1772657709 BMXVGSWLIBSGMK-UHFFFAOYSA-N 374.853 3.577 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 13603692 IADLZBYSIQTFDE-HAXFGTAASA-N 358.478 3.853 0 1 FHAF CN(C)C[C@H]1c2ccoc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 13737724 YLMLDRNBBXPIIN-INIZCTEOSA-N 367.276 3.817 0 1 FHAF COc1ccccc1NC(=O)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205707874 LUTCDIOLZWDMRX-GCKMJXCFSA-N 372.465 3.958 0 3 FHAF CC(=O)c1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3n2)c1C 1857607815 ASXMTIPUKIOUJH-UHFFFAOYSA-N 371.400 3.579 0 1 FHAF CC1CCC(N(C)C(=O)c2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)CC1 1857762875 YSACDDKYMFNXLF-ISXOHVOVSA-N 369.509 3.671 0 1 FHAF CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CCCCCC=CCc2ccccc21 254047201 WLMKUHSUSVRAIJ-AVRDEDQJSA-N 372.461 3.633 0 1 FHAF CCCn1c(=O)c2[nH]c(-c3cc4ccccc4s3)nc2n(CCC)c1=O 12405321 UQLIQOZHJZWKNM-UHFFFAOYSA-N 368.462 3.588 0 1 FHAF O=C(CCc1ccccc1)c1cccc(OC[C@H](O)CN2CCCCC2)c1 13529260 HIWSPAOYMSSPJM-OAQYLSRUSA-N 367.489 3.728 0 1 FHAF COc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)[C@H]2N3C)cc1 27518643 FYXWOKCKADGGGY-FPOVZHCZSA-N 367.449 3.675 0 1 FHAF NC(=O)C(CCn1cnc2ccccc21)(c1ccccc1)c1ccccc1 29481545 RMVLFMNQWOLTGG-UHFFFAOYSA-N 355.441 3.898 0 1 FHAF COC(=O)c1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2 35982684 RRMXJGGGDJCORU-UHFFFAOYSA-N 357.365 3.937 0 1 FHAF O=C(CC1(CC(=O)N2CCCC2)CCCC1)NC1C2CC3CC(C2)CC1C3 43073372 BAHYYWZZMFSSME-UHFFFAOYSA-N 372.553 3.890 0 1 FHAF Cn1cc(NC(=O)CCCCCCCCCCO)c(-c2ccccn2)n1 49052995 ABUPIKNQYWVPDU-UHFFFAOYSA-N 358.486 3.924 0 1 FHAF O=C(C1CC1)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72141526 UDQBKONFZICUMM-FQEVSTJZSA-N 369.896 3.815 0 1 FHAF CCCN1CCC[C@]2(CCN(Cc3cncn3C3CCCCC3)C2)C1=O 91985412 CPRBBPQHAJAWNW-OAQYLSRUSA-N 358.530 3.613 0 1 FHAF Cc1ccc(Nc2c(Cl)cc(O)c(C(=O)O)c2F)c(CC(=O)O)c1 95618639 QQKNIFQTDAHPAP-UHFFFAOYSA-N 353.733 3.562 0 1 FHAF world O=C(O)CC1CCN(c2nc(-c3ccccc3)nc3c2CSC3)CC1 96923874 RDWNRUZHWZGFHX-UHFFFAOYSA-N 355.463 3.582 0 1 FHAF Cc1ccnc(NC(=S)NCCN(C)c2cccc(C(F)(F)F)c2)c1 103254369 BXXIMQQUNFMREZ-UHFFFAOYSA-N 368.428 3.832 0 1 FHAF Cc1nn(C)cc1-c1nc2c(N(C)Cc3ccccc3)c(Cl)cnc2[nH]1 103273772 JMFBKXJSFCPIKB-UHFFFAOYSA-N 366.856 3.957 0 1 FHAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cccc(Cl)c1 104116382 GCDFULPEFIWKLJ-DPEHCCBOSA-N 361.833 3.998 0 1 FHAF Cc1ccc(S(=O)(=O)N[C@@H](C)COc2cccc3cnccc23)c(C)c1 149260442 DETYOPQTKWDFOS-INIZCTEOSA-N 370.474 3.597 0 1 FHAF O=C(O)c1cc2cnccc2n1CCOc1ccc(OC(F)(F)F)cc1 169331094 YYRGWTNWICCJEY-UHFFFAOYSA-N 366.295 3.712 0 1 FHAF OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1F)[C@@H]23 169333631 IEPHCGMWMOZBFZ-CZAYHTPWSA-N 360.517 3.663 0 1 FHAF COc1cc2c(C)[nH]c(=O)c(Cc3ccc4ncccc4c3)c2cc1OC 169703365 MOUGXHDNRJJKRN-UHFFFAOYSA-N 360.413 3.993 0 1 FHAF CCCn1c(Oc2cccc(O)c2)nc2nc(C3CCCC3)[nH]c2c1=O 198743889 JBBGLWMCWBNZCN-UHFFFAOYSA-N 354.410 3.685 0 1 FHAF COc1ccc([C@](C)(O)c2nc(N3CCCCC3)nc3ccccc23)cc1 299861473 IGVCBVGRDDMKNX-QFIPXVFZSA-N 363.461 3.885 0 1 FHAF COc1ccc(CN=c2nc3c(c[nH]2)CSc2cc(OC)ccc2-3)cc1 473145043 HMOXABGOHIWUEQ-UHFFFAOYSA-N 365.458 3.801 0 1 FHAF Cc1cc(Br)ccc1OCc1nc2cccc(C(=O)O)c2[nH]1 586981267 NIIDDRQJYRJSMK-UHFFFAOYSA-N 361.195 3.911 0 1 FHAF CCOc1ccccc1[C@@](N)(c1nc2ccc(Cl)nc2[nH]1)C(F)(F)F 587092981 PWVLZMVVHXERHM-OAHLLOKOSA-N 370.762 3.775 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2ccc(F)c(F)c2[nH]1)C[C@@H]1CCCO1 587197123 JHFBAWBYRGOSLH-NSHDSACASA-N 367.396 3.757 0 1 FHAF COC(OC)c1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccnc1Cl 587380191 QOIAMCGJWALBDI-CQSZACIVSA-N 362.813 3.624 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCC(=O)O)cc1)O2 587398416 CPUWUVUQWUZRGV-GOSISDBHSA-N 355.390 3.527 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4cccnc4)ccc1O)[C@@H](C2)C3=O 587435388 FPVOISIVQGQFQE-JTSKRJEESA-N 359.381 3.952 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCCCc4cc(C(=O)O)ccc41)[C@@H](C2)C3=O 587452379 UBJRIGDINDHCAP-JTSKRJEESA-N 364.397 3.763 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(C(=O)OC)c1)CC2=O 587466775 OBYCQNDWQMPWBD-GOSISDBHSA-N 358.365 3.977 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)O)cc1)CC2=O 587480427 JTPCFSMKQARKDL-GOSISDBHSA-N 356.374 3.515 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(C)c2ccccc21 587484906 HAQGJJSFIATCGX-OAQYLSRUSA-N 351.402 3.572 0 1 FHAF CC[C@@]1(C2(C(=O)OC)CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587536578 VSZUUDZXYIYAJD-QFIPXVFZSA-N 372.461 3.649 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CF)n1 587557446 RUYXZJMNIKEWMC-PXNSSMCTSA-N 351.333 3.960 0 1 FHAF C[C@@]1(c2ccncc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573133 XVEBPSITCBHBBC-PXNSSMCTSA-N 351.333 3.803 0 1 FHAF COc1cnccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587551 OJJYULCNNBYEDB-GHTZIAJQSA-N 363.369 3.673 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(n1)NCCC2 587594098 KGWFJIRYVDZDEI-GHTZIAJQSA-N 374.396 3.848 0 1 FHAF C[C@H]1C[C@@]2(CC[C@H]1C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 587827424 OQGWIJLZTULTPY-MEAVBRJHSA-N 370.262 3.839 0 1 FHAF Cc1[nH]c(=N)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587853355 QFXJDSLXZVCONU-MLXNANBUSA-N 370.291 3.563 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cscn1 587864314 OECZPMLHAPWJFB-UHFFFAOYSA-N 353.325 3.723 0 1 FHAF Oc1cc(C2CCCCC2)c(O)n1-c1nc(N2CCCCC2)ncc1F 587945669 PCEIHVXGTRBMCS-UHFFFAOYSA-N 360.433 3.856 0 1 FHAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc(S)c2)N1 962700239 QCASOCXZPVDRDV-HUUCEWRRSA-N 371.355 3.822 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@H](c3c[nH]c4c(Cl)cccc34)c3cccc1c32 963025549 ONARVSYXOICPSN-NSPYISDASA-N 351.837 3.964 0 1 FHAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccccc2)O3)cc1 61895923 BJKWDQZRUJNOIV-FQEVSTJZSA-N 373.412 3.649 0 3 FHAF C[C@]1(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1(Cl)Cl 103276351 XILIPBCAHGOCOD-ZCFIWIBFSA-N 370.130 3.715 0 1 FHAF Nc1nc(N)c2c(n1)N[C@H](c1ccc(F)cc1)[C@@H]1CCc3ccccc3C1=N2 53242674 DNVQIUSHIPXGAR-JKSUJKDBSA-N 374.423 3.630 0 1 FHAF C[C@H](NC(=O)c1cccnc1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356300853 YQEPGFBDNKRKIF-JTQLQIEISA-N 371.780 3.579 0 1 FHAF CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)[C@@H]1CCC[C@H](CO)C1 115792223 PBTWKVLWUWRYSX-MVIJMRCYSA-N 355.522 3.926 0 1 FHAF COc1ccc([C@H](OP(=O)(OC)OC)P(=O)(OC)OC)cc1 29228044 PIQAGIVIGCSSII-GFCCVEGCSA-N 354.232 3.597 0 1 FHAF CCn1c(=O)c2cnc3c(OC)cc(Cl)cc3c2n(C2CCCC2)c1=O 117797571 SJDNWMAHIOSFDW-UHFFFAOYSA-N 373.840 3.508 0 1 FHAF CN1Cc2c(cc3ccc4c(c3c2-c2ccc3c(c2)OCO3)OCO4)C1=O 28112649 FOECDBYBLLSGEA-UHFFFAOYSA-N 361.353 3.550 0 1 FHAF CC(C)[C@H](C)NC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO 72176125 MFLRPZFFHCDZMB-JTQLQIEISA-N 356.344 3.627 0 1 FHAF COc1c([C@H](C)CO)cc(O)c2c1CC[C@H]1C(C)=C(C(=O)O)CC[C@]21C 70455306 OLBWQSWJMYMYAR-DBLBYYFGSA-N 360.450 3.512 0 1 FHAF biogenic,in-vitro Cc1ccc(C2=Nc3c(N)ncnc3N[C@H](c3ccc4c(c3)OCO4)C2)cc1 40422288 BQYTXPHSSBCJCD-INIZCTEOSA-N 373.416 3.774 0 1 FHAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC[C@H](C)O)c2)[nH]1 40935452 FIKQEBVZFVOWKT-NSHDSACASA-N 358.442 3.792 0 1 FHAF COc1ccc(Cn2nc(C)cc2OC(=O)c2c(F)cccc2F)cc1 45300101 UHMKBNLAEWRRPR-UHFFFAOYSA-N 358.344 3.746 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)cnn1 261189562 YPOJJEWDQGHDGY-CYBMUJFWSA-N 373.420 3.606 0 1 FHAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccc2c(c1)OCO2 653697684 QQWXEUCPWVIACC-UHFFFAOYSA-N 360.369 3.753 0 1 FHAF COC(=O)[C@]1(C)CCc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587399345 KIXBBBHAMBKZRE-FCHUYYIVSA-N 365.429 3.563 0 1 FHAF FC(F)(F)c1ccn(CCc2nc3c(Cl)c(Cl)cnc3[nH]2)n1 587119501 YISZLQKQSSKPQD-UHFFFAOYSA-N 350.131 3.723 0 1 FHAF O=C(COc1ccccc1-c1nc2cccnc2[nH]1)Nc1ccccc1F 587154915 VAYIWYMZHBHFOC-UHFFFAOYSA-N 362.364 3.782 0 1 FHAF COc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C(F)(F)F)c1 587097666 MSINIFAJRDCJHV-AWEZNQCLSA-N 350.300 3.981 0 1 FHAF COC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2cc1OC 587083885 AXQPAVOTPOPPSM-UHFFFAOYSA-N 352.177 3.727 0 1 FHAF CC(=O)OC1=C(C)[C@@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806424 ASPPHOFLADRZMV-HUTHGQBESA-N 368.246 3.949 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(OC)nc4[nH]3)c2)c1 587234354 FJFHJIFTSQQACQ-UHFFFAOYSA-N 372.428 3.584 0 1 FHAF O[C@@H]1C[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)c2ccccc21 586901461 HTAHUGPFSDEUOF-MWLCHTKSSA-N 364.630 3.943 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12Cc1ccccc1C2=O 587604715 VLFKLPDIOQZPDV-XMSQKQJNSA-N 358.349 3.532 0 1 FHAF O=C(c1csc(-c2ccccc2)n1)n1ncc2ccc(Cl)cc2c1=O 587654235 QFZGAZYEXYUBKF-UHFFFAOYSA-N 367.817 3.862 0 1 FHAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ncn1 587346531 MWYGZACQTYTSMY-FPOVZHCZSA-N 364.376 3.904 0 1 FHAF COC(=O)C[C@@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421053 RHXAJGPKEGPUSL-VLIAUNLRSA-N 372.804 3.555 0 1 FHAF COc1cc2c3c(c1)O[C@@H](CCc1cc(F)cc(F)c1OC)[C@@H](C2)C3=O 587423351 IGTFZUMXZDFMNS-ZBFHGGJFSA-N 360.356 3.731 0 1 FHAF CC[C@]1([C@H](C)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350905 LVAWJQQTZWWAOE-HXGDPMPDSA-N 372.392 3.848 0 1 FHAF CC(=O)C[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587718194 HUXCLHAWSAHBOD-WJWGPLDTSA-N 350.178 3.562 0 1 FHAF COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)[C@@H](C)F)[nH]c4c3)o2)cc1 587122620 FQMADWOBGHUCGA-QLJPJBMISA-N 367.384 3.646 0 1 FHAF Cc1[nH]c(=NC[C@@H]2CCCO2)sc1-c1cc2c3c(cccc3n1)CC2 587360339 MTFLPVFWVOCRGA-HNNXBMFYSA-N 351.475 3.778 0 1 FHAF COc1cccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587133179 ZQEWCAQHWNMYNJ-JTQLQIEISA-N 353.369 3.541 0 1 FHAF COc1ccc(C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600123 LKVHGSBEBNREIU-PMACEKPBSA-N 362.381 3.974 0 1 FHAF CN(C)C/C=C/C(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)c1 1772642737 QLAKLVIXUIVHNO-QPJJXVBHSA-N 354.841 3.940 0 1 FHAF CN(C)c1cccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)c1 12508622 ZITVWIKNABBEPG-FQEVSTJZSA-N 369.484 3.628 0 3 FHAF CCCCc1ncoc1-c1ccc(NC(=O)C(=O)NC(C)(C)C)cc1OC 13489775 YFWWMMKSEBPKNQ-UHFFFAOYSA-N 373.453 3.546 0 1 FHAF COc1ccc(CCNC(=O)CCn2c(C)cc3ccccc32)cc1OC 169347574 WHJWNEHFBUSZIK-UHFFFAOYSA-N 366.461 3.716 0 1 FHAF Cc1cccc(-n2nnc(C(=O)Nc3ccc4ccccc4n3)c2C)c1C 1857576807 LVLCICJOUBRCJA-UHFFFAOYSA-N 357.417 3.993 0 1 FHAF NC(=O)c1sc(-n2cnc3ccccc32)cc1OCCc1ccccc1 1857640767 COQBJBPBAHPFFT-UHFFFAOYSA-N 363.442 3.807 0 1 FHAF CC[C@@H]1Oc2c(Br)cc(Cl)cc2[C@H]2CC(C)=NN2C1=O 1857746862 GMUBTUZIZDTPNF-NEPJUHHUSA-N 357.635 3.923 0 1 FHAF CCOC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O 2484077 WOOXLVUMOGCYCN-UHFFFAOYSA-N 373.836 3.823 0 1 FHAF CCSc1nnc(NC(=O)CCC(=O)O[C@H]2CC[C@@H](C)[C@H](C)C2)s1 4349890 VMNYEIIOJLFNOI-UTUOFQBUSA-N 371.528 3.737 0 1 FHAF CC(=O)O[C@H](C)c1cncc2c(=O)n3c(cc12)-c1[nH]c2ccccc2c1CC3 6037200 WQJMGTHQJZQNTK-GFCCVEGCSA-N 373.412 3.725 0 1 FHAF biogenic CC(C)N(Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2)C(C)C 13741315 NHMRNEWBXOBCLY-UHFFFAOYSA-N 360.889 3.730 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(\O)OCC)[C@H]1c1nc2ccccc2[nH]1 19782204 BQQKUFSBVPHZQM-JFPYRBRCSA-N 369.421 3.764 0 1 FHAF COc1cc2c(cc1OC)Sc1ccccc1[C@@H](N1CCN(C)CC1)C2 22460901 DAPHHFZZMZLBQM-KRWDZBQOSA-N 370.518 3.700 0 1 FHAF C[C@@]1(c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)C[C@H]1CC(=O)O 28648295 QWFBDKQUFNWYSN-VGSWGCGISA-N 366.461 3.814 0 1 FHAF CC[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H](N)CC(C)C 28756870 YICPFUCSYSAEOE-UTYWTXRGSA-N 358.526 3.597 0 1 FHAF CCO[C@@H](Cc1cccc(C2=NO[C@@H](CCc3ccccc3)C2)c1)C(=O)O 45484002 HAMXNMHJIWXEJM-FPOVZHCZSA-N 367.445 3.845 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3ccsc3)cn2)c2ccsc2c1=O 49070623 UOPFFROOWNZTBH-UHFFFAOYSA-N 368.439 3.933 0 1 FHAF Cc1ccc(NS(=O)(=O)c2cccc(NC3CCN(C)CC3)c2)c(C)c1 58602981 IRAQVOZLTQVTPT-UHFFFAOYSA-N 373.522 3.610 0 1 FHAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CCC(=O)N1C1CCC1 95565248 SRCBZZAEJSONIW-ZDUSSCGKSA-N 374.790 3.519 0 1 FHAF CS(=O)(=O)c1ccc(-c2cnc(Cl)n2-c2ccc(F)cc2F)cc1 95579490 DZCQCVRUMFKJQK-UHFFFAOYSA-N 368.792 3.874 0 1 FHAF Cn1c2c(c3ccccc31)Cc1c(CO)c(CO)c(-c3ccccc3)n1C2 95591139 CEEOQGQIXDYQTE-UHFFFAOYSA-N 358.441 3.584 0 1 FHAF O=C(O)Cn1cc(/C=C(\Cl)C(=O)Nc2ccccc2)c2ccccc21 96271130 QYKMDIWFXQMDFZ-YBEGLDIGSA-N 354.793 3.944 0 1 FHAF O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)OCc1cccnc1 96271360 MUFKBLNBTXLHIY-UHFFFAOYSA-N 368.414 3.663 0 1 FHAF COc1ccc2c(c1OC)[C@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1C[C@H](C)C(=O)C3 101793483 HSEYGJLILMXTEM-GCHBTCAUSA-N 369.505 3.597 0 1 FHAF Fc1cnccc1[C@H](Nc1nnc(-c2c[nH]c3ncccc23)o1)C1CC1 103247494 RYHDTMIFZDAZSM-OAHLLOKOSA-N 350.357 3.710 0 1 FHAF C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 137099538 VAMJZLUOKJRHOW-CTIOYGLCSA-N 366.461 3.737 0 1 FHAF O=C(Nc1cccc(-c2cnc3cc(-c4ncccn4)ccn23)c1)NC1CC1 146940976 LHDJQFZZVVTOFD-UHFFFAOYSA-N 370.416 3.742 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(N)cc3)cc2)C[C@@H]2CC[C@@H]1N2C 169354974 KMRUPVHLDNPTES-WOZUAGRISA-N 350.462 3.675 0 1 FHAF Cc1ccc(/C=C2\CNC[C@H]3C2=NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 169729952 PBAUMKNLCRWIBL-XFVDGSDISA-N 361.514 3.977 0 1 FHAF Cc1c(Br)cnc2[nH]c(/C=C\c3ccccc3C(=O)O)nc12 586882433 SXPJORJKAPXWKP-SREVYHEPSA-N 358.195 3.897 0 1 FHAF Cc1c(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)oc2c1[C@H](O)CCC2 586905458 PMSYCGLLYDZCKJ-ZCFIWIBFSA-N 372.734 3.963 0 1 FHAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(F)c(C)c4[nH]3)cc12 587038022 PDUYVIQTSUTFST-SNVBAGLBSA-N 371.441 3.758 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCN(Cc3ccccc3)C1)O2 587392992 FCGACLBFAOBLCQ-JOCHJYFZSA-N 350.462 3.967 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H]1CCC[C@H]1C(=O)O)O2 587402891 ATWIAUPBBNGWCB-ULYRPOKDSA-N 365.429 3.939 0 1 FHAF CCOC(=O)[C@H]1CC(C)(C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441257 JPASEQJUEHTONQ-PZPWOCDFSA-N 358.434 3.571 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(OCC4CC4)c1)[C@@H](C2)C3=O 587444034 RDYMTDCWUPFUPW-BTYIYWSLSA-N 352.386 3.678 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1c(C)nn(C)c1C)(C(F)F)CC2=O 587465037 FKGDRWWRCTZGGK-LJQANCHMSA-N 364.392 3.821 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1Cn1cncn1)CC2=O 587474938 IMMSGKFXYCINBP-JLTOFOAXSA-N 355.438 3.531 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2N[C@@H]1C 587482770 JHJVWWJZKUMYFM-GTJPDFRWSA-N 351.402 3.746 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cccnc12 587592505 YZLSYWKFVGLBOC-DYESRHJHSA-N 358.353 3.971 0 1 FHAF CCCCCc1[nH]c2cc(Cl)c(F)cc2c1C(=O)N[C@@H]1CCOC1=O 587630793 CYKDEHHGSRXHJN-CQSZACIVSA-N 366.820 3.738 0 1 FHAF Cc1ccc(-c2cnnc(-n3ncc4ccc(Cl)cc4c3=O)n2)cc1C 587652763 IUTZGUPUNMDWEN-UHFFFAOYSA-N 363.808 3.508 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2F)N1 587733933 PIDCYMFHIJYTDZ-XXFAHNHDSA-N 353.210 3.920 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)nc2F)N1 587737265 DRUMNIPHVQXKQH-NXSYQRQQSA-N 357.173 3.885 0 1 FHAF CCN1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)C1 587759202 FDSHUNIDMMEIFP-QFSBIZTOSA-N 355.295 3.679 0 1 FHAF CCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793561 NPJZLXIUNJCDRF-MGPLVRAMSA-N 358.251 3.681 0 1 FHAF CC(=O)C[C@]1(c2ccco2)N[C@H](C)Cc2ccc(F)c(Br)c21 587825588 BATXVRPLJSQROQ-BMLIUANNSA-N 366.230 3.938 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(F)c1 587868289 JMXMFCGLWQGOAD-UHFFFAOYSA-N 365.286 3.800 0 1 FHAF Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N3CCCC3)c2)n1 653773235 GACMIYCVRUMFFL-UHFFFAOYSA-N 360.417 3.987 0 1 FHAF CC(C)[C@@H]1CC[C@]2(C1)N[C@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12 962645182 VKELAJAMZRPSOL-IIYDPXPESA-N 357.372 3.836 0 1 FHAF Fc1c[nH]ccc1=Nc1nc(-c2cccc(C(F)(F)F)n2)nc2[nH]ccc12 1857645084 KNTWBIUWHSYQJE-UHFFFAOYSA-N 374.301 3.738 0 1 FHAF COC(=O)C=C1C[C@H](C)[C@@H]2C3(CC(=O)[C@H]4C(C)(C)CCC[C@@]42C)OC1O3 2356659458 DZUJBZDHDGENTK-ZCVPPYFMSA-N 362.466 3.616 0 1 FHAF O=C(OCCc1cc2ccccc2c(=O)o1)c1cccc(Br)c1 36388702 ZSYIGZWHMYUMHP-UHFFFAOYSA-N 373.202 3.955 0 3 FHAF COc1ccccc1-c1cc2nc(NCCOc3ccccc3)ccn2n1 61895485 JHHVLYQJMXGXGO-UHFFFAOYSA-N 360.417 3.896 0 3 FHAF CC[C@@H](CO)Oc1cc(NCc2ccccn2)c2ncn(C(C)C)c2c1 61948921 YWGXYXBFXGALDA-INIZCTEOSA-N 354.454 3.774 0 3 FHAF Cc1ccccc1C(=O)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 74378316 JCQAJKFLYWCXSS-BBRMVZONSA-N 358.800 3.663 0 3 FHAF COc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F 6484088 ZEIUVBUZZZQSSI-WDEREUQCSA-N 365.792 3.569 0 1 FHAF Cc1ccc2nc(COc3ccccc3NC(=O)C(C)(C)C)cc(=O)n2c1 8619595 QPZZWVYHIKNASN-UHFFFAOYSA-N 365.433 3.567 0 1 FHAF CC(C)c1cc(Oc2c(F)cc(NC(=O)C(=O)O)cc2F)ccc1O 13602406 QKAHZSVLYXTBKP-UHFFFAOYSA-N 351.305 3.609 0 1 FHAF O=C(O)c1ccc(C(=O)c2ccc(C(=O)c3ccc4c(c3)OCO4)cc2)cc1 13740020 ICBSTSXIDCGGPG-UHFFFAOYSA-N 374.348 3.576 0 1 FHAF CC(=O)OC[C@H](CO)OC(=O)/C=C(\C)CCC1=C(C)CCCC1(C)C 14609771 FRCBJSJRQTTWIF-WKOYGUFESA-N 352.471 3.707 0 1 FHAF Cn1cccc1C(=O)[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 22933703 UPLINKDANHNJMJ-QHCPKHFHSA-N 373.500 3.767 0 1 FHAF O=C(c1ccc(Cl)cc1)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1 26007940 XWKBKNRJOPBVBD-SFHVURJKSA-N 361.228 3.961 0 1 FHAF Fc1ccc(CN2CCN(Cc3nc4ccccc4n4cccc34)CC2)cc1 29480316 PSGBSWDRJJWEDY-UHFFFAOYSA-N 374.463 3.944 0 1 FHAF C[C@H]1CN2CCN(Cc3cccc(O)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075220 YVFCETLDUNQOEE-XTQVGHSUSA-N 366.505 3.582 0 1 FHAF Cc1[nH]c(C)c(-c2ccc(Cl)cc2)c(=O)c1I 45226966 WCELNKKYICLVPD-UHFFFAOYSA-N 359.594 3.917 0 1 FHAF Cn1ccc2ncnc(Oc3ccc(CC(=O)Nc4ccccc4)cc3)c21 64380890 ZGJPDTZDJUSHFQ-UHFFFAOYSA-N 358.401 3.942 0 1 FHAF O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)NC1CCCC1 96174720 AQDZUBCABYYNTI-UHFFFAOYSA-N 359.433 3.978 0 1 FHAF CC[C@@H](C)[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1 96900292 DLSQXSJVRSSPFW-AYOQOUSVSA-N 365.949 3.574 0 1 FHAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(F)c(OC)c3)oc2c1 139783773 ZSLVDMANEKVKNK-LLVKDONJSA-N 367.380 3.893 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccncc2F)s1 142676228 PCOBNNLGLIKMGY-UHFFFAOYSA-N 370.331 3.954 0 1 FHAF Cc1cc(Cl)cc(Cl)c1CC(=O)N[C@H]1COc2cncc(C)c21 146644975 ISXKLUAWPBEDMB-AWEZNQCLSA-N 351.233 3.798 0 1 FHAF Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)ccc3O)cc2)cc1C 169718851 QOYUYFZOSDMGDJ-UHFFFAOYSA-N 365.385 3.545 0 1 FHAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(NCC5CC5)n4)c3c2)s1 204779242 GANOQVZZUSOYDP-UHFFFAOYSA-N 363.450 3.548 0 1 FHAF CC(C)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)c1ncco1 207732402 QXKXUWDACYUCSY-UHFFFAOYSA-N 369.343 3.542 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586893004 YVCNOLPDVYAACR-JXFKEZNVSA-N 352.459 3.728 0 1 FHAF O=C(O)CSc1ncccc1-c1nc2c(OC(F)(F)F)cccc2[nH]1 586967042 PRDMZTWQUKHOQC-UHFFFAOYSA-N 369.324 3.700 0 1 FHAF COc1cc(OC)c2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc2c1 587038987 CYNVZVNLARHSSA-LBPRGKRZSA-N 365.455 3.563 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cncc(C)c3[nH]2)cc1 587041078 VQFBRBXLSTULNN-INIZCTEOSA-N 368.462 3.553 0 1 FHAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 587069400 JRYOLYKQGYBTPU-ZETCQYMHSA-N 364.883 3.960 0 1 FHAF CN(C)C(=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076934 PLLCASJQUZLLIT-KRWDZBQOSA-N 368.824 3.535 0 1 FHAF Fc1cccc(Cn2nnc(-c3nc4ccc(Cl)nc4[nH]3)c2Cl)c1 587162306 VGPDVYDBLGVEPM-UHFFFAOYSA-N 363.183 3.711 0 1 FHAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(C(C)(C)C)cc2[nH]1 587225112 NPLRDSRXPBHBLP-AWEZNQCLSA-N 351.450 3.944 0 1 FHAF CCOC(=O)c1ccc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2c1 587239497 PUCMFZNTXAULKG-UHFFFAOYSA-N 351.406 3.538 0 1 FHAF COC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(N)cc3)nc2c1 587251618 JZKAPBZLCMDQLI-QPJJXVBHSA-N 372.222 3.865 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN3CCCC3)cc1)O2 587396720 VVCUFAGLJQFPTO-OAQYLSRUSA-N 366.461 3.758 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@H]1CN3C(=O)OC(C)(C)C)O2 587398070 DUWVIUOVBHJEKT-QTCYRWPVSA-N 372.465 3.701 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4OC)no1)[C@@H](C2)C3=O 587438710 QAQZUXONZAEBDF-QKKBWIMNSA-N 363.369 3.848 0 1 FHAF CCn1cc([C@@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517728 TUEDGKKXENTJEB-SSSWZJSRSA-N 365.477 3.718 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccnn2C)N1 587760097 OCDHNOXMJWSWJS-DHEQOFIQSA-N 364.262 3.785 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN[C@H]3CCCC[C@H]32)N1 587792807 MWZKCOHVYJQZIK-JPHJHBEYSA-N 367.306 3.870 0 1 FHAF COC(=O)C[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587805151 GWPOUDJNNBBWDL-QAGHZCBJSA-N 370.262 3.681 0 1 FHAF COCc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587856653 YKOPKKOBEOSNDY-AYVTZFPOSA-N 371.275 3.815 0 1 FHAF O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccc(F)c(F)c2)cs1 587922395 OBJYYSZRRZZQIJ-UHFFFAOYSA-N 370.380 3.927 0 1 FHAF COCCCN1CCc2ccc(OC)cc2[C@H]1c1c(N)cc(F)cc1F 961319271 HGOJGKZEBAEDCK-FQEVSTJZSA-N 362.420 3.540 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cccc2nc(N)oc12 962368400 AQRHEWSMKHIUIL-SFHVURJKSA-N 364.474 3.958 0 1 FHAF CCOc1ccccc1-n1cccc1[C@@H]1NCCc2c1c(C(C)C)nn2C 962925294 YTAGOSWQNABZLW-QFIPXVFZSA-N 364.493 3.968 0 1 FHAF COc1cccc2cc3c(nc12)[C@H](c1cn(-c2ccccc2)cn1)NCC3 963051377 FFAIFQZREOYAJJ-QFIPXVFZSA-N 356.429 3.664 0 1 FHAF CC=C1CN2CC[C@]34C(=C(OC(C)=O)[C@@]1(C)C[C@@]23C)Nc1ccccc14 2356669090 MNUGHIINEFKPIJ-BDTNDASRSA-N 350.462 3.959 0 1 FHAF O=S(=O)(c1ccccc1)N1CCC2(CCN(c3ccccc3)CC2)CC1 3955749 YAUVPEWOYAKODF-UHFFFAOYSA-N 370.518 3.758 0 1 FHAF aggregator CCCCCCC1=NOC[C@@]1(C)C(=O)NCCCN(C)c1ccccc1 4080376 YYURWXKVESCQIT-OAQYLSRUSA-N 359.514 3.992 0 1 FHAF CSc1nc(NCc2cc(-c3ccccc3)no2)nc(NC(C)C)n1 103220278 NKPWQBIEGIZJLV-UHFFFAOYSA-N 356.455 3.681 0 1 FHAF CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(C(C)C)C2=O)CC1 64539985 SMRRGJLLFFKDID-UHFFFAOYSA-N 369.509 3.757 0 1 FHAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCN(C)C)nc21 26469953 JDSWEFRMUMFAIZ-UHFFFAOYSA-N 373.892 3.778 0 1 FHAF COC(=O)C1=C[C@@]23CCCC[C@@H]2[C@H]2C[C@H]([C@H]4CCC[C@H](C)N4)[C@@](C)(O3)[C@@H]12 2356846449 ONZIOCUDSJAMDE-BQPYUJFNSA-N 359.510 3.600 0 1 FHAF CC(=O)C[C@H](O)CC(=O)[C@@H]1OC(=O)CCCCC/C=C/Cc2ccccc21 61959204 WLMKUHSUSVRAIJ-OPKTXDQFSA-N 372.461 3.633 0 3 FHAF CC(=O)c1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1 216340163 KCTSIHWEJOGBHJ-UHFFFAOYSA-N 371.396 3.888 0 1 FHAF CC(C)COc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1 36381469 BQIWBJHXISRSER-UHFFFAOYSA-N 359.495 3.547 0 3 FHAF CC[C@H](C)NC(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 82140894 ZSSORUWRBBWRJD-AWEZNQCLSA-N 356.445 3.801 0 1 FHAF CN1C(=N)N[C@](c2cccc(-c3cccc(Cl)c3)c2)(C2(C)CC2)C1=O 84605131 JIJODFBAJRFDGM-FQEVSTJZSA-N 353.853 3.999 0 1 FHAF CC[C@]12CCCN(CCc3c(n(C)c4ccccc34)[C@H](C(=O)OC)C1)C2 85982307 AULRJVXQWYCCSG-GCJKJVERSA-N 354.494 3.873 0 1 FHAF C[C@@H](F)COc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1 40431327 FOLIPIJUUQURLN-GFCCVEGCSA-N 368.836 3.968 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc4ccccc4n3)C2)cc1 142181439 NRVPHVSSOWVWHT-HNNXBMFYSA-N 361.445 3.700 0 1 FHAF COc1ccc(F)c(-c2nc(C)c3nnc4c(F)cc(OC)cc4n23)c1 95575150 OVFNIEPLLFYLGK-UHFFFAOYSA-N 356.332 3.548 0 1 FHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc3ccccc3[nH]2)n1 142089863 RIVHIOJAMAMWLZ-SWLSCSKDSA-N 366.425 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373.861 3.508 0 1 FHAF O=C1Nc2c(CNc3ccccc3)ccnc2N(C2CC2)c2ncccc21 5939081 YITDREASSSCOKM-UHFFFAOYSA-N 357.417 3.955 0 1 FHAF CC(C)(C)c1cc(/C=C2\CCN(O)S2(=O)=O)cc(C(C)(C)C)c1O 13558281 ZHHHCZJNXYVNJZ-UKTHLTGXSA-N 353.484 3.753 0 1 FHAF O=C(O)C(=O)c1ccc2oc(C34CC5CC(CC(C5)C3)C4)cc(=O)c2c1 13581692 PRIGHHNDCZSRTA-UHFFFAOYSA-N 352.386 3.528 0 1 FHAF CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)C(=O)OC4)n2)c1 13679264 BOJDCYLXQYKJPO-UHFFFAOYSA-N 360.373 3.516 0 1 FHAF CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2ccncc2)C1 15076560 PEKKNDPAZZVNMW-JOCHJYFZSA-N 368.477 3.696 0 1 FHAF COc1cc(OC)c(NC(=O)/C=C/c2c[nH]c3ccccc23)c(OC)c1 169350806 COAOKLWYRHCWCJ-CMDGGOBGSA-N 352.390 3.846 0 1 FHAF COC(=O)CO[C@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205709564 BRVLYAYHWQNFKL-INIZCTEOSA-N 351.324 3.944 0 1 FHAF NC(=O)c1c(F)ccc(OCc2cc(-c3ccccc3Cl)no2)c1F 1857648855 LXNYCSNPFIFYTC-UHFFFAOYSA-N 364.735 3.951 0 1 FHAF COC(=O)C1=CC=C(C(C)C)CCC2=CCC[C@](C)(OC2=O)C(=O)CC1 253667899 SSRWHVBVQPAITB-NRFANRHFSA-N 360.450 3.833 0 1 FHAF O=C1CCOc2c(OCCNCCCCc3ccccc3)cc(F)cc21 12356181 VVDDZQNEZFZTCT-UHFFFAOYSA-N 357.425 3.782 0 1 FHAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@@H](c1ccc(F)cc1)O3 13998948 IUXSCGSRIMIJDJ-SFHVURJKSA-N 367.424 3.858 0 1 FHAF Cc1cc([C@H](c2cccc(C(F)(F)F)c2)N2CCN(C)CC2)sn1 28254047 NCDVQRFSUUYXKE-INIZCTEOSA-N 355.429 3.807 0 1 FHAF CCNC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801401 BQWMLHMOZSVPKK-NMLNKKDVSA-N 360.542 3.602 0 1 FHAF CN1[C@@H]2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1[C@H](O)C2 38155048 NRKFYDQWSIYFGJ-YSTOQKLRSA-N 359.416 3.667 0 1 FHAF O=c1cc(Cn2ccnc2)c2ccc(OCc3cccc(F)c3)cc2o1 66114241 HHHMOHRIHKZBMD-UHFFFAOYSA-N 350.349 3.756 0 1 FHAF CC(C)CN(C)C(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82136295 SZYKXSPNCHOYLK-UHFFFAOYSA-N 356.445 3.833 0 1 FHAF O=C(Nc1ccc(Oc2ncnc3[nH]cnc23)c(F)c1)c1ccccc1F 95605915 PZMDCTLBLSUGMD-UHFFFAOYSA-N 367.315 3.676 0 1 FHAF O=C1CC(c2cccc(-n3ccnn3)c2)=Nc2ccc(C(F)(F)F)cc2N1 101150327 ZYWYZDXRKLYSGB-UHFFFAOYSA-N 371.322 3.749 0 1 FHAF COc1ccc2oc(NC3CCN(Cc4ccccc4)CC3)cc(=O)c2c1 103064808 CMGMYGGXUCBCFL-UHFFFAOYSA-N 364.445 3.878 0 1 FHAF Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3F)n2)n[nH]1 116698288 AWLBOIUGNGQJSU-UHFFFAOYSA-N 366.400 3.667 0 1 FHAF C[S@](=N)(=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 205072943 NUOHTNYHORIQRD-SANMLTNESA-N 370.434 3.588 0 1 FHAF O=C(/C=C\c1nc2cc(Br)ncc2[nH]1)Nc1ccc(F)cc1 587166695 GKJZZYYMLMCEIT-WAYWQWQTSA-N 361.174 3.511 0 1 FHAF CC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)COCOC1 587356609 KKYFFCGSKCREES-WIYYLYMNSA-N 372.392 3.660 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)O2 587395507 NIWYIKKWVOSIBR-JXFKEZNVSA-N 360.454 3.558 0 1 FHAF COc1cc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC 587398311 FDDMSVOOKPGNNM-NRFANRHFSA-N 371.433 3.570 0 1 FHAF COc1ccc(-c2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)no2)cc1 587436389 PSZOJWZROVPCNP-QVKFZJNVSA-N 363.369 3.848 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(C=COc3cc(C(=O)O)ccc31)CC2=O 587491845 QFMWGYPSECYDHK-NRFANRHFSA-N 366.369 3.810 0 1 FHAF Cc1cc(C)cc(OCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587565097 VYCXCWVFZNKCTI-UHFFFAOYSA-N 351.450 3.591 0 1 FHAF CN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]2CCC[C@H]21 587587416 MSIFROMZKLFJTN-WBTYWQJWSA-N 365.429 3.597 0 1 FHAF CN(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587612203 KYFPXMLGKJKFQD-YJBOKZPZSA-N 368.414 3.618 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)ccnc2Cl)N1 587703160 FXEBKGQSJZLCLF-UOWDBTKRSA-N 370.653 3.842 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(CC3CC3)CC2)N1 587766752 HLYPXULTOHVCLE-LBPRGKRZSA-N 367.306 3.824 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cccn1C 587863403 ZMXDANVAIHDYLP-UHFFFAOYSA-N 363.339 3.799 0 1 FHAF COc1ccc(/C=C\Cc2nc3cncc(Br)c3[nH]2)c(OC)c1 587930719 UPRJUZCRQGVBDH-ARJAWSKDSA-N 374.238 3.994 0 1 FHAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(C(N)=O)cc4[nH]3)c2)c1 587931646 CFNZGRVEOGZWEP-UHFFFAOYSA-N 359.385 3.710 0 1 FHAF O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2ccc(F)c(F)c2)c1 621430404 UYAKMFDMLXUYSV-MRXNPFEDSA-N 357.356 3.558 0 1 FHAF COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1cccnc1 1857579705 WXRLDXPCDKOINV-UHFFFAOYSA-N 362.433 3.565 0 1 FHAF CCCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)O 8691319 GVCDGCCXYOZNCQ-UHFFFAOYSA-N 368.842 3.848 0 3 FHAF CC(=O)OCC1=CC(=O)[C@@H]2[C@H](CC[C@@H]3C(=C(C)C)CC[C@@]32C)[C@@H]1[C@@H]1CO1 15164494 DCNCKLDWZATODA-HFDGIODVSA-N 358.478 3.853 0 1 FHAF biogenic CC1(C)C[C@@H](O)C(C)(C)c2nc(-c3cccc(C(F)(F)F)c3)nnc21 27557254 KJFXHPUFUFPHTO-GFCCVEGCSA-N 351.372 3.877 0 1 FHAF CNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(CC1CC1)CC3 28709209 SGHKXPYOPVKZJP-CBQOVEMMSA-N 354.494 3.873 0 1 FHAF CCCCCN1CCC(C(=O)Nc2cc(Cl)c(N)cc2OC)CC1 29470796 IRWLCXZFDCKNIX-UHFFFAOYSA-N 353.894 3.772 0 1 FHAF CCCN1C(=O)c2ccccc2[C@]1(O[C@H]1CC[C@H](O)C1)c1ccc(F)cc1 66128611 QBTWQHLSEJRMBJ-NPPFBWRTSA-N 369.436 3.823 0 1 FHAF CC(C)Oc1ccc([C@@](O)(c2ccc(Cl)cc2)c2cncnc2)cn1 72186100 XCBLQWXEZNDRJP-IBGZPJMESA-N 355.825 3.596 0 1 FHAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4occc4c3)CC2)c1 95570385 HZJDVHVFZJLGBI-UHFFFAOYSA-N 366.490 3.964 0 1 FHAF CC[C@@H](CN)[C@@H](C)Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96174981 LIVUQZJIYLMRNO-CABCVRRESA-N 361.449 3.697 0 1 FHAF O=C(Nc1nccs1)[C@@H]1C(=O)N2c3ccccc3CCc3cccc1c32 100658312 PJXDFVUCESIRMW-MRXNPFEDSA-N 361.426 3.642 0 1 FHAF CS(=O)(=O)c1ccc(-c2nc3c(n2-c2ccccc2)CCCC3)cc1 103210552 IFOINKMDDYWPES-UHFFFAOYSA-N 352.459 3.822 0 1 FHAF C[C@@H](O)c1cc(-c2cnn(C)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F 144905216 RCDOJXLKUQYEEJ-NSPYISDASA-N 374.362 3.919 0 1 FHAF O=C1C[C@H](c2ccccc2)CC2=Nc3ccc(Cl)cc3S(=O)(=O)[C@@H]12 169715397 QNFHODLDTAWLHL-KZULUSFZSA-N 359.834 3.715 0 1 FHAF COc1ccc(NC(=O)[C@@H]2C(C)=Nc3[nH]ncc3[C@@H]2c2ccccc2)cc1 169724304 LNEHQIIXFLTJKG-MOPGFXCFSA-N 360.417 3.911 0 1 FHAF COCc1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 221471637 MLTXEXOURYEUPD-UHFFFAOYSA-N 374.444 3.788 0 1 FHAF COCCCN(CC[C@H]1C[C@H]2CC[C@H]1C2)C(=O)NCCCc1ccncc1 299811081 VQANCEKQLAYJEV-ACRUOGEOSA-N 373.541 3.889 0 1 FHAF Cc1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 586945647 KIPJVAHUTXOBEK-UHFFFAOYSA-N 373.459 3.671 0 1 FHAF COc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1F 587120271 VLAYSOUJURLBPK-UHFFFAOYSA-N 368.334 3.853 0 1 FHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)ncc4[nH]3)cc2N1 587125482 FXJPIFROSWJFIA-LHLIQPBNSA-N 356.739 3.782 0 1 FHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cncc(Cl)c3[nH]2)cc1 587243932 CSOGAILSRORYGX-UHFFFAOYSA-N 367.796 3.751 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CC3CCN(CC3)C2)[C@H]1c1ccc(F)cc1 587344819 HKGGCMSZLHDMQB-UNMCSNQZSA-N 367.420 3.745 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1CNC(=O)OC(C)(C)C)O2 587387391 POXGOURAKRQJGO-LHSJRXKWSA-N 374.481 3.996 0 1 FHAF CCSc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587408456 GPQDGWPDMSEJFB-LJQANCHMSA-N 354.431 3.502 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nccn1C(F)F 587553659 GFMVBHMHNFEAAN-CZUORRHYSA-N 358.300 3.687 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1COCc1ccccc1 587591030 FIJUHKHQJJKFQS-VQTJNVASSA-N 362.381 3.939 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)F)c2c1 587649428 JMAZVHPFXLMOLY-UHFFFAOYSA-N 355.387 3.748 0 1 FHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587785069 KRHZRQNEPYVJRS-CABCVRRESA-N 364.401 3.668 0 1 FHAF COc1cc(OC)c2[nH]c([C@@H](C)Cc3ccc(OC)c(OC)c3)nc2c1 587927427 UNJOEHXPPXHFBN-LBPRGKRZSA-N 356.422 3.944 0 1 FHAF COc1cc2c(cc1OC)C1(CCN(Cc3ccccc3)CC1)OCC2 653919128 ADXUPDCQQACVPU-UHFFFAOYSA-N 353.462 3.768 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1ccc3ncn(C)c3c1)N(C)[C@H](C)C2 962625789 FUWASBUHRNBFAW-ASSNKEHSSA-N 351.450 3.556 0 1 FHAF CC[C@@H]1CCC[C@@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963137783 GJDVFOSHXSEZJK-BVRBVLIYSA-N 366.483 3.795 0 1 FHAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@H]2CC[C@H](C)C2)c1O 1772628804 SMUKAUYOSDQMCW-QWRGUYRKSA-N 374.890 3.538 0 1 FHAF Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)no1 12300373 WRBVNQAJJRKFPO-INIZCTEOSA-N 350.422 3.593 0 3 FHAF CC[C@@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1ccncc1 12302950 MEHURYHTGUGDFZ-MRXNPFEDSA-N 373.359 3.808 0 3 FHAF Cc1nc(NC2CCCCC2)c2nnn(Cc3ccccc3Cl)c2n1 12481276 VHGUJJPSJQPMQT-UHFFFAOYSA-N 356.861 3.976 0 3 FHAF CC[C@@H](CO)Oc1cc(NCc2ccncc2)c2ncn(C(C)C)c2c1 61948917 MSHOLKMGYRGTFZ-INIZCTEOSA-N 354.454 3.774 0 3 FHAF CCCn1c(-c2ccc(F)cc2)nc2c(NCCCN(C)C)nc(C)nc21 7991767 KALMKWDNWRXBKM-UHFFFAOYSA-N 370.476 3.714 0 1 FHAF COc1c(C)cc(O)c(C(=O)c2c(O)ccc3c2OC(C)(C)C=C3)c1C=O 13373323 MEPDGCUSJWFRRO-UHFFFAOYSA-N 368.385 3.643 0 1 FHAF biogenic CCCCOC(=O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc21 13757238 SRAFQCODVUQLQM-UHFFFAOYSA-N 372.442 3.808 0 1 FHAF Cc1ccccc1C(=O)c1cccn1CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 15879183 YMIPNUDRJYQQSJ-SUMDDJOVSA-N 352.478 3.968 0 1 FHAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43[C@H](O)CCl)[C@@H]1CCC2=O 36289322 KCWRWKGGJCNOJN-HEMOKCEJSA-N 350.886 3.667 0 1 FHAF OCc1csc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)n1 40938554 CXXHIMHTNIDPAR-UHFFFAOYSA-N 368.340 3.560 0 1 FHAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NC1CCC(C)CC1 82203545 KRZDWHWWCMIROP-UHFFFAOYSA-N 357.546 3.840 0 1 FHAF COC(=O)[C@H]1C(c2ccc3occc3c2OC)=NO[C@H]1c1ccccc1 101039526 VYBMIDHEARFESN-WMZOPIPTSA-N 351.358 3.706 0 1 FHAF COc1c(C(C)C)cc2c(c1OC)[C@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2O 104380685 WLRZIPVGEMNPES-HCBXPFHNSA-N 374.477 3.864 0 1 FHAF in-man O=C(O[C@@H]1C[C@H]2C[C@H](n3cnc4c(Cl)ncnc43)[C@H]1C2)c1ccccc1 195509760 ATKMRHHZZZBAKX-REBRKWNGSA-N 368.824 3.676 0 1 FHAF O[C@H]1CC[C@H](Nc2nc(NC3CCCCC3)ncc2-c2ccccn2)CC1 261190472 YYCBPQHVOAJHLZ-QAQDUYKDSA-N 367.497 3.999 0 1 FHAF CCOC(=O)c1cnc(NC2CCCCCC2)n2nc(-c3ccco3)nc12 299831453 BVCLEYHJQVAWKA-UHFFFAOYSA-N 369.425 3.696 0 1 FHAF Cc1oc(-c2ccsc2)nc1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 587026808 JLIPVJZTCSGXET-UHFFFAOYSA-N 365.340 3.939 0 1 FHAF Brc1c[nH]c2nc(-c3ncsc3-c3ccccc3)nc-2n1 587027371 CMDGPRKBBLXKPY-UHFFFAOYSA-N 358.224 3.858 0 1 FHAF CCS(=O)(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587106446 CHWSIQBHOCEDJF-UHFFFAOYSA-N 368.380 3.966 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(F)c(Br)c2[nH]1 587117766 LDOGVEDNUZJYLL-UHFFFAOYSA-N 363.112 3.884 0 1 FHAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587172172 YEWSEOPTMPHYES-SNVBAGLBSA-N 366.439 3.845 0 1 FHAF CC(C)[C@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197807 OWFWGGHSGIXMLG-CABCVRRESA-N 361.446 3.851 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3c(Cl)c(Cl)cnc3[nH]1)C2 587247644 VVLCHUMOAPEUBL-KRWDZBQOSA-N 363.248 3.616 0 1 FHAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n(C)n1 587344602 XFQPVNKONHWKPS-CTNGQTDRSA-N 366.392 3.848 0 1 FHAF Cc1cc(C)cc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587391005 QPRZJVJXJMORFI-NRFANRHFSA-N 352.434 3.947 0 1 FHAF CCc1ccc(NC(=O)C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587433318 QJZFHLSYYJFGKQ-VGSWGCGISA-N 365.429 3.793 0 1 FHAF CCOC(=O)c1ccc(CC[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443982 XIENRDFHRNSECJ-ZWKOTPCHSA-N 366.413 3.621 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(C)cc(C)c21 587478553 AYOQLUGJJDWDFW-NRFANRHFSA-N 351.402 3.774 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc(OC)c1O)CC2=O 587480074 MZVBQFPYEFQEOE-KRWDZBQOSA-N 358.390 3.774 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([S@](C)=O)cc1)CC2=O 587493514 ROZTVOHDYLDDIR-NLFFAJNJSA-N 358.459 3.963 0 1 FHAF COC(=O)c1noc(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523931 IIJLLFRTXZSYPO-HXUWFJFHSA-N 355.390 3.529 0 1 FHAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(OCc2ccccc2)cc1 587559738 MQYSWWVARCRGFG-UHFFFAOYSA-N 359.385 3.990 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1COc1ccccc1F 587566610 AAMIFPSSDCJFQC-RTBURBONSA-N 366.344 3.941 0 1 FHAF Nc1ccc2c(c1)[C@@]1(C=CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581230 UYABJIYWFQMCFH-DENIHFKCSA-N 373.364 3.738 0 1 FHAF COc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599330 FLSJXEDSPBVQGK-NQIIRXRSSA-N 364.353 3.809 0 1 FHAF CCN1CC[C@]2(C[C@@H]1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587757812 BMISDOHHNOVEDL-NVGCLXPQSA-N 355.295 3.822 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2c(c1)OCO2 587870691 PKQPVYVRINSNBS-UHFFFAOYSA-N 354.337 3.505 0 1 FHAF CN(C)S(=O)(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587969183 ZGWTVIBQJZNBCB-UHFFFAOYSA-N 371.506 3.653 0 1 FHAF COc1ccc2c([C@H]3NCCc4cc5cccc(OC)c5nc43)cn(C)c2c1 963041560 XWFXMDQYLURJMJ-HSZRJFAPSA-N 373.456 3.979 0 1 FHAF C[C@]1(c2ccc(O)c(C(F)(F)F)c2)NCCc2c(C(=O)O)cccc21 963120917 HYCFAZLJSLIXBO-QGZVFWFLSA-N 351.324 3.518 0 1 FHAF COc1cc(-c2ccc(F)c(F)c2)cc2c1OCCN(C(=O)C1CC1)C2 1772619396 PZZSYNXVGLJFHD-UHFFFAOYSA-N 359.372 3.771 0 1 FHAF Cc1nnc(SCC(=O)Nc2ccccc2)c2cc3sccc3n12 1857746939 XYAMQRJIUHATLQ-UHFFFAOYSA-N 354.460 3.983 0 1 FHAF COc1ccc(C(=O)c2cn(C[C@H]3CCOC3)c3ccc(O)cc23)cc1 1857773290 HOGDOVSQOPDZSR-CQSZACIVSA-N 351.402 3.623 0 1 FHAF C[C@@H]1CC[C@]2(C)[C@H](C(=O)O)CCC[C@]2([C@@H]2C[C@H](c3ccoc3)OC2=O)O1 2356469947 INWZWHMIZIAHCP-ZAPIXYCPSA-N 362.422 3.713 0 1 FHAF CC(=O)c1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3C)C2)s1 11839253 NEEAHNOYMIVYHB-OAQYLSRUSA-N 371.502 3.717 0 3 FHAF C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)C1 3911263 BIKFULWQTVUENO-HUUCEWRRSA-N 369.490 3.897 0 1 FHAF CN(C)Cc1ccccc1-c1ccc2ncnc(NC3CCNCC3)c2c1 4267397 CLYIZTNAKSMDRI-UHFFFAOYSA-N 361.493 3.522 0 1 FHAF Cc1nc2ccc(Cl)cn2c1CN1CCO[C@@H](Cc2ccccc2)C1 20255887 QROUPJCWJGLJJP-SFHVURJKSA-N 355.869 3.740 0 1 FHAF CCCCCC[C@H](C)C(=O)N[C@@H](COP(=O)(O)O)c1ccccc1 28001413 SVRZVILSFANXJP-HOCLYGCPSA-N 357.387 3.560 0 1 FHAF O=Cc1cccc(OCCCN2CCN(Cc3ccc(Cl)cc3)CC2)c1 103197245 VPEBTEYLYSZXLR-UHFFFAOYSA-N 372.896 3.739 0 1 FHAF CCOC1(OCC)[C@H]2c3cccc(OC)c3[C@H]([n+]3ccccc32)C1(C)C 27518561 HMIGSSGDKYOUFK-PMACEKPBSA-N 354.470 3.827 0 1 FHAF O=C(CCc1ccc2c(ccc3[nH]ncc32)c1)Nc1ccccc1C(=O)O 35996317 HXOZLHWVDHLHIQ-UHFFFAOYSA-N 359.385 3.986 0 1 FHAF COC(=O)c1ccc2[nH]c(C[C@@H](CC(=O)O)c3ccc(Cl)cc3)nc2c1 72118930 ZSHHHUICTNESLO-ZDUSSCGKSA-N 372.808 3.804 0 1 FHAF O=C(N[C@@H]1CCC[C@H](O)C1)c1onc(-c2ccc(Cl)c(F)c2)c1Cl 72178206 AWQJMGTWKXADKA-ZJUUUORDSA-N 373.211 3.821 0 1 FHAF COc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccc(C)cc3)C2)cc1 73351304 JHKMFBABCJZIJU-SFHVURJKSA-N 365.458 3.784 0 1 FHAF CC1(C)CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1 223673518 ITRLYWPXQGSNOD-UHFFFAOYSA-N 353.495 3.639 0 1 FHAF O=C(Nc1ccccc1)Nc1cccc(C(=O)Nc2cnc3[nH]ncc3c2)c1 95580484 FUBCCLOWKPWWOU-UHFFFAOYSA-N 372.388 3.854 0 1 FHAF Nc1ccc(/C=C/c2nc3ccc(I)cc3[nH]2)cc1 96270539 BMOJEFBWGAWJML-FPYGCLRLSA-N 361.186 3.920 0 1 FHAF CCOC(=O)[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353260 YPGLWALRVZEPGY-JPHFQCMKSA-N 372.392 3.848 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(O)c2)N1 587836079 ZKXOEUFUWQNNBO-VPTHRUTESA-N 352.203 3.623 0 1 FHAF COC(=O)c1cc2[nH]c([C@@H]3CCc4ccc(OC)cc4C3)nc2cc1OC 587945475 FPFLQIJRPXBFSN-CYBMUJFWSA-N 366.417 3.639 0 1 FHAF CCOC(=O)[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794159 GBMZXAMLICUUJT-XQJJYNOISA-N 358.251 3.537 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccnn2C)N1 587760106 OCDHNOXMJWSWJS-DVIQEIQTSA-N 364.262 3.785 0 1 FHAF COc1cncc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c12 587198198 BDUHWXSXASYFEL-SFHVURJKSA-N 368.437 3.932 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCN(Cc4ccccc4)CC1)[C@@H](C2)C3=O 587443933 NAIFWRZNYBAHSK-WMZHIEFXSA-N 363.457 3.868 0 1 FHAF Oc1cccc([C@H](O)c2nc3cc(Cl)cc(Br)c3[nH]2)c1 586893891 XNALXJCZFDCCBA-ZDUSSCGKSA-N 353.603 3.766 0 1 FHAF O=C1CC[C@@]2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)N1 587107619 SCKDXCYOYWWMEB-HSZRJFAPSA-N 354.409 3.584 0 1 FHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Cl)cnc3[nH]2)C(F)(F)C1 587132249 OIMURIWKKSCCFU-SECBINFHSA-N 358.776 3.581 0 1 FHAF CCCc1c(O)ccc2c1O[C@](Cc1cccc(F)c1)(C(=O)O)CC2=O 587469194 XOQVWMWRTZBGFH-FQEVSTJZSA-N 358.365 3.515 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cccc1F 587559381 WPVWBYFNINBSTA-XLIONFOSSA-N 352.317 3.940 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 586915725 HAOXUJCTCMCNDR-BBATYDOGSA-N 359.788 3.967 0 1 FHAF COc1ccc2c(c1OC)[C@@H](c1cn3ccc(C)cc3n1)N(C)[C@@H](C)C2 962629700 PUAONHGHLPFGOF-VBKZILBWSA-N 351.450 3.626 0 1 FHAF O=C(O)c1cccc2c1CCN[C@H]2c1c(F)cc(C(F)(F)F)cc1F 963128974 CDSPNZGRQJPKCN-OAHLLOKOSA-N 357.278 3.917 0 1 FHAF COc1cc2c(cc1OC)[C@@H](c1c(F)cc(F)cc1OC)N(C)[C@@H](C)C2 962639202 VILWAKGWDHWPQS-YBTHPKLGSA-N 363.404 3.956 0 1 FHAF Cn1ncc(Br)c1[C@]1(C)c2c(F)cccc2C[C@@H]2CCCN21 963114378 SYOYHBZYPKEONG-SJCJKPOMSA-N 364.262 3.606 0 1 FHAF O[C@H](CNCCSCc1ccccc1)COc1ccccc1Cl 169325897 WEUPMFPIGMIARB-MRXNPFEDSA-N 351.899 3.603 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1ccc3c(ccn3C)c1[C@@H](O)CC2 205428933 LXIDCHKMXFFBTR-INIZCTEOSA-N 353.418 3.851 0 1 FHAF Cn1cc(C2CCCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 1857603680 IRNOXMFFUKJLOB-UHFFFAOYSA-N 374.506 3.838 0 1 FHAF COc1cc(-c2cnc3c(N4C[C@@H](C)O[C@H](C)C4)snc3c2)ccc1N 1857636782 VOFMQYIALBSDFI-VXGBXAGGSA-N 370.478 3.563 0 1 FHAF Cc1ccc(-c2ccc3c(c2)[nH]c(=N)c2[nH]c(CN4CCCC4=O)nc23)cc1 1857649831 KQDIQTFVCXUUJQ-UHFFFAOYSA-N 371.444 3.621 0 1 FHAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@H]1CCCC[C@@H]1O 775602 XERXPEFZFRHTCL-GJZGRUSLSA-N 372.465 3.681 0 1 FHAF O=C1C[C@@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21 3994230 XFBPGUPMMWBWAS-CQSZACIVSA-N 355.409 3.759 0 1 FHAF O=C(NC1C[C@H]2CC[C@H](C1)N2C[C@H]1CCCO1)c1cccc2ccccc12 101444630 AVTQCLISYQTDGJ-VAMGGRTRSA-N 364.489 3.744 0 1 FHAF O=C1c2ccccc2C(=O)N1CCN1[C@@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2 100753718 UVQGFDQHVVFXBZ-JLTOFOAXSA-N 371.440 3.526 0 1 FHAF Cc1cc(C(N)=O)nn1Cc1cc(Cl)ccc1OCc1ccccc1 29043296 ZNLUBEVUIFEQTN-UHFFFAOYSA-N 355.825 3.571 0 1 FHAF CCOC(=O)N[C@@H]1C(=O)N(c2ccc(C)cc2)[C@@H]1/C=C/c1ccccc1 103236280 RWLDFFPAOXTWKQ-YYYKYCEESA-N 350.418 3.538 0 1 FHAF COc1ccc(C(=O)c2cc3c(c(Cl)c2Cl)O[C@@H](C(=O)O)C3)cc1 27998348 HAZRKMQCXUJLSA-GFCCVEGCSA-N 367.184 3.621 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4[C@H]5CCO[C@H]5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 29212042 RHAGZIUYLFSMDE-HIKNPEFISA-N 362.510 3.702 0 1 FHAF Cc1nc(-c2ccc(N3CCC(NCc4nccn4C)CC3)cc2)cs1 23478620 WAMPAWIVJLTPIX-UHFFFAOYSA-N 367.522 3.611 0 1 FHAF COc1cc(C([O])=C2c3cc(OC)c(OC)cc3C=CN2C)ccc1O 2356473961 WMQJQDJNMOGSLK-UHFFFAOYSA-N 354.382 3.590 0 1 FHAF COC(C)(C)[C@@]12C=C[C@@](C)(O)CCC=C(C)CC[C@H](O)[C@@](C)(CC1)O2 2356788666 CHALLPMOTDQGLN-MJUUVYJYSA-N 352.515 3.908 0 1 FHAF CCN(CC)CCCOc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 38279057 UVIHFHMSMYXWGT-UHFFFAOYSA-N 365.477 3.805 0 1 FHAF OC(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)N1CCOCC1 49068855 HOPDHEHFNMVVFR-QHCPKHFHSA-N 359.469 3.996 0 1 FHAF in-vivo COC(=O)Oc1ccc2oc(=O)c(-c3ccccc3OC(=O)OC)cc2c1 45498581 FSAZEDZZNANGBA-UHFFFAOYSA-N 370.313 3.750 0 1 FHAF C[C@@H](Oc1ccccc1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1 40423123 HXLRPJHMHZZHBD-SJLPKXTDSA-N 372.896 3.888 0 1 FHAF c1ccc(Oc2ncnc3c2ncn3[C@H]2COc3ccccc3CO2)cc1 40836468 QAUDEBVQHRNRLA-QGZVFWFLSA-N 360.373 3.726 0 1 FHAF O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)C[C@@H](O)CC3 143419493 QAOJLWOHECWERU-NSHDSACASA-N 362.834 3.769 0 1 FHAF C[C@H](O)[C@@H]1OC(=O)[C@@H]2[C@H]([C@@H](C)C[C@H]1C)[C@H](C)C(=O)[C@@H]1C[C@H](C)C[C@H](C)[C@H]12 255262520 RKGOMGDMTKLFLM-GHRRJCFYSA-N 364.526 3.705 0 1 FHAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]43C)[C@H]1CCC2=O 253987050 ZMITXKRGXGRMKS-ZPPCSSRVSA-N 370.511 3.786 0 1 FHAF COc1cc2c(cc1OC)/C(=C/c1cccc(O)c1N1CCCC1)OC2=O 2382218516 BFZOVLLTRUBYGB-YVLHZVERSA-N 367.401 3.678 0 1 FHAF COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586920283 HBXRHWUSZLSINI-UHFFFAOYSA-N 371.245 3.852 0 1 FHAF O=C1CSc2ccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cc2N1 587042759 FRCUQCUXRLMFRO-UHFFFAOYSA-N 350.325 3.688 0 1 FHAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ccccc2[nH]1 587000188 NFPHHIVJWGLFAH-UHFFFAOYSA-N 357.163 3.804 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1c(N)cc(OC)cc1OC)CC2=O 587472376 ICBHQXKMIRFHKA-NRFANRHFSA-N 371.433 3.825 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(C)=O)c(OC)c1)CC2=O 587480104 NBXRXPLNEXVXPV-IBGZPJMESA-N 370.401 3.985 0 1 FHAF COC(=O)C[C@@H]1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587811245 VZXVRGVTABOWFP-VGTOOOLASA-N 370.262 3.681 0 1 FHAF CCOc1ccc(OCC)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 587779130 XWUDZJYMTMHIIX-UHFFFAOYSA-N 353.422 3.729 0 1 FHAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)nc(O)nc4[nH]3)c21 587030869 LUPLNKXEYGOZNK-VIFPVBQESA-N 367.434 3.723 0 1 FHAF O=c1c(-c2nc3cc(F)cnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171321 MDDZUNVRDQGTCX-UHFFFAOYSA-N 356.307 3.692 0 1 FHAF Oc1ccc(C2(c3nc4cncc(Br)c4[nH]3)CCOCC2)cc1 586913050 LAHILHPGQWSJJF-UHFFFAOYSA-N 374.238 3.523 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc3c(c1)OCO3)O2 587390789 NYQJMLPYPBWVTL-LJQANCHMSA-N 362.385 3.803 0 1 FHAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587568336 BPPWGPSHGWRHEG-PXNSSMCTSA-N 351.358 3.754 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ncc(C)cc1Br)[C@@H](C2)C3=O 587413679 OSYIHQCLZXSJOP-GTNSWQLSSA-N 360.207 3.650 0 1 FHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587052532 DTFGOAZJGWLDCL-SECBINFHSA-N 357.628 3.866 0 1 FHAF COc1ccc2cc(C(=O)C[C@]3(C)c4c(cnn4C)CCN3C)ccc2c1 963955606 QTIWIVBIDPAUBG-JOCHJYFZSA-N 363.461 3.558 0 1 FHAF Cc1cc2c(cc1O)[C@@](Cc1ccccc1)(c1ccccc1)N[C@H](C(=O)O)C2 963529761 XLBNMAFRPUKCEU-XUZZJYLKSA-N 373.452 3.786 0 1 FHAF CCCc1ccc([C@@]2(CCC(=O)O)NCCc3c(C(=O)O)cccc32)cc1 963125776 UNKLVFDLLHRRTB-JOCHJYFZSA-N 367.445 3.591 0 1 FHAF C[C@@H](c1ccccc1)N1CC[C@H](N2CCC(c3ccc(O)cc3)CC2)C1=O 1772574792 WKOQGHBYQWAKIH-JTSKRJEESA-N 364.489 3.934 0 1 FHAF COc1ccc(OCc2cc(C(=O)N3CCCC3)no2)c2ccccc12 12753666 NREPNSZABCFZJV-UHFFFAOYSA-N 352.390 3.651 0 3 FHAF OCCCNc1cncc(-c2cc(Nc3cccc(Cl)c3)ncn2)c1 13612160 WTFSXDHGBRHXPS-UHFFFAOYSA-N 355.829 3.730 0 1 FHAF COc1cc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)cc(OC)c1 169687420 IMJWJBKCBNIYLQ-UHFFFAOYSA-N 365.389 3.683 0 1 FHAF CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 169691503 QSAMTTNJIUOMCS-MOPGFXCFSA-N 354.450 3.851 0 1 FHAF Cc1ccc(-c2nn3c(=O)cc(Cc4ccc(Cl)cc4)nc3[nH]2)cc1 1857592655 SKBCEFGDQVWKMS-UHFFFAOYSA-N 350.809 3.637 0 1 FHAF Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)c2ccccc12 225941797 QYGSSBGCBQNYDV-UHFFFAOYSA-N 371.379 3.622 0 1 FHAF CCOC(=O)c1c[nH]c(C(=O)OCC)c1-c1cccn1-c1ccccc1 1653406 YXQLQAHEIBRCJC-UHFFFAOYSA-N 352.390 3.826 0 1 FHAF COC(=O)[C@@H](CC1=C(O)C(=Cc2ccccc2)OC1=O)c1ccccc1 2356781691 JBSVMXLHJAADOB-INIZCTEOSA-N 350.370 3.743 0 1 FHAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCC[C@@H]1C[C@H](O)[C@@H](C)C(=O)O1 2356861460 UJFSPDOPSFJXRP-PILAGYSTSA-N 352.471 3.863 0 1 FHAF COc1ccc(CN[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 38238538 MHVFEIYTXIHPIL-JOCHJYFZSA-N 371.440 3.601 0 1 FHAF N=C(N)c1ccc2nc(-c3cccc(-c4cc(F)ccc4O)c3O)[nH]c2c1 34804671 RDHQRMMLPKXJTH-UHFFFAOYSA-N 362.364 3.731 0 1 FHAF C[C@H]1[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)CC(=O)[C@@H]1C 40670368 XVYFFIJITDUPCR-IDEQHVFWSA-N 353.506 3.922 0 1 FHAF CCc1ccc(S(=O)(=O)Oc2cccc(C3CCNCC3)c2C)cc1 40937943 WZAUTVLYMJAUGI-UHFFFAOYSA-N 359.491 3.792 0 1 FHAF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)N1CCCCC1 82070094 JBPFPVVRBPBBFI-KRWDZBQOSA-N 371.506 3.577 0 1 FHAF NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3ccc(Cl)cc3)[nH]c12 136904283 WXDMZOUNYQLVLK-AWEZNQCLSA-N 368.868 3.751 0 1 FHAF CC1CCN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)CC1 82151670 YAENMSOOYOKYQB-UHFFFAOYSA-N 368.456 3.755 0 1 FHAF O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccco2)ccc1=O 25427119 NHJHBFBFCLIACE-WBVHZDCISA-N 366.461 3.634 0 1 FHAF biogenic COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 95596969 VYVYCDJDMPVQTH-UHFFFAOYSA-N 351.446 3.570 0 1 FHAF CCCCSC(=S)N1CCN(C(=S)Nc2ccccc2)CC1 299868933 STGGXCFRWHVHMI-UHFFFAOYSA-N 353.582 3.819 0 1 FHAF O=C(NC1CC1)c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1 653773157 OOHLLISXKRUFOE-UHFFFAOYSA-N 370.412 3.661 0 1 FHAF COc1cc(-c2[nH]nnc2-c2ccc3ccccc3n2)cc(OC)c1OC 653788032 PNDSMXYPDVQZEJ-UHFFFAOYSA-N 362.389 3.713 0 1 FHAF CC[C@H](C)OC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596234 PWHQPNNFDQGJDN-LTBCBRHQSA-N 370.401 3.844 0 1 FHAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc3ccccc3cc2[nH]1 586948541 IIVUWPPCQMPEFR-UHFFFAOYSA-N 351.431 3.678 0 1 FHAF CCOC(=O)/C=C(\C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800721 YLGJPXJDQFVNOC-NVUIWCNYSA-N 370.262 3.847 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(O)cc(Br)c1)[C@@H](C2)C3=O 587417867 MYGFYBCMQCEPPZ-GUYCJALGSA-N 361.191 3.652 0 1 FHAF COC(=O)Nc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)cn1 587245834 ZJPFJUQYTGUFOK-UHFFFAOYSA-N 365.162 3.705 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN[C@H]3CCCC[C@@H]32)N1 587797814 XIKSZUMGWFNTDT-NZAYIMIOSA-N 367.306 3.870 0 1 FHAF CN1CCN(c2ccc3[nH]c(-c4ccc(Cl)c(Cl)n4)nc3c2)CC1 587085068 XZMARUGPMSRBSL-UHFFFAOYSA-N 362.264 3.684 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1c(F)cccc1F)[C@@H](C2)C3=O 587423911 LIFGMRVCPFVLCN-PRWKNARSSA-N 368.339 3.852 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C=O)c1Br)O2 587377322 MHZYQIHDHIYCQP-HNNXBMFYSA-N 360.207 3.859 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)cc1N)[C@@H](C2)C3=O 587418098 ALNDETUODWGJHT-UGSOOPFHSA-N 363.335 3.959 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)nn1C)CC2=O 587461070 WEAQQQBTCCAMFM-CQSZACIVSA-N 365.227 3.547 0 1 FHAF Cc1cnc2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc2c1 587019140 IJIWZQAWGUCRRZ-UHFFFAOYSA-N 364.434 3.958 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3nc(O)oc3c1)(C(C)C)O2 587395382 QNUDMIVMUUKAOT-FQEVSTJZSA-N 352.390 3.941 0 1 FHAF COc1ccnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587773356 QTQUZJDDUYAEDY-FVMDXXJSSA-N 351.219 3.615 0 1 FHAF Cc1cc(F)ncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567973 GIHKULVFLXJBTE-YLJYHZDGSA-N 351.333 3.938 0 1 FHAF Cc1c(-c2nc3ncc(Cl)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029073 GYQYOMVPCSTVKA-UHFFFAOYSA-N 357.826 3.761 0 1 FHAF COc1ccc2c(c1OC)[C@](C)(CC(=O)N1CCCC[C@@H]1C)N(C)[C@H](C)C2 962628452 MIMKBSWCAHKQTN-DMPWYTOCSA-N 374.525 3.587 0 1 FHAF CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccs3)cc2c1C 1772622814 ZASLHZIJOQFJDQ-UHFFFAOYSA-N 365.432 3.780 0 1 FHAF Cc1[nH]c(=O)c(NCc2nc3c(Cl)ccc(Cl)c3o2)cc1[C@@H](C)O 5891344 AVPQYVXLYLLOMB-MRVPVSSYSA-N 368.220 3.797 0 1 FHAF COC[C@H]1CCN(C(=O)c2ccc3oc(Cc4ccccc4)nc3c2)C1 12301390 JVNACMIMZGJAIH-INIZCTEOSA-N 350.418 3.527 0 3 FHAF C[S@](=O)c1ccc([C@@H](Nc2cccnc2)C(=O)c2ccc(F)cc2)cc1 12352405 CNYVDGNVBLSXLF-NIYFSFCBSA-N 368.433 3.994 0 1 FHAF O=c1cc(-c2cccc(-c3ccc(O)cc3)c2)sc(N2CCOCC2)c1 13538743 RIMUFIAYXCMUTQ-UHFFFAOYSA-N 365.454 3.985 0 1 FHAF OCC1(NCc2nc(-c3ccc(C(F)(F)F)cc3)ccc2F)CCC1 204409140 GMQOHIXULNOVMS-UHFFFAOYSA-N 354.347 3.911 0 1 FHAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]12 205216434 KNQFQDFCZLVDOP-NVXWUHKLSA-N 374.362 3.889 0 3 FHAF O=C(O)CCCSc1nnc(-c2ccc(OC3CC3)cc2Cl)o1 1857588501 AMUPKHBFMSOTTJ-UHFFFAOYSA-N 354.815 3.888 0 1 FHAF CCOC(=O)[C@@H](Oc1ccc(OC)c2c1C(=O)CCC2)c1ccccc1 1617923 GYTVILXEYRAWPE-FQEVSTJZSA-N 354.402 3.897 0 1 FHAF CN(CCCN)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 28571688 QRNZXNUHQIYSQV-FQEVSTJZSA-N 371.431 3.806 0 1 FHAF CCCCC[C@@H]1C[C@H]1NC(=O)C1(C[C@H](CCOC)C(=O)O)CCCC1 28641515 BINPFDWVPOZRNS-IXDOHACOSA-N 353.503 3.759 0 1 FHAF O=C1NC(=O)[C@@H](Cc2ccc(OCc3nc4ccccc4s3)cc2)S1 26579544 JECICJBEODLEAY-OAHLLOKOSA-N 370.455 3.769 0 1 FHAF CN1[C@H]2CC[C@@H]1CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 22940890 BBVCHKBRDIGQFY-OYRHEFFESA-N 372.459 3.849 0 1 FHAF Oc1ccc2c(c1)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2 29131878 XIAGXFJITHPNQZ-UHFFFAOYSA-N 360.910 3.911 0 1 FHAF Cc1c(Cc2ccncc2)c(=O)oc2cc(OC(=O)N(C)C)c(Cl)cc12 26491471 KNBZLOHMXRSGRT-UHFFFAOYSA-N 372.808 3.801 0 1 FHAF O=C([C@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1)N1CC(F)(F)C1 1911582386 DPRNDLLZDLOXQN-VIFPVBQESA-N 368.733 3.663 0 1 FHAF C[C@@H]1CCCC[C@@]12CC(=O)N(Nc1ccc(Br)cc1)C2=O 40848235 PTOOQKSRXYJIGU-BDJLRTHQSA-N 351.244 3.731 0 1 FHAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cnc2[nH]ccc2c1 142455713 JYQSULAWBCVPQW-JTQLQIEISA-N 364.232 3.953 0 1 FHAF CC(=O)O[C@H]1C[C@@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@H]2[C@@H]3C[C@]3(C)C(=O)C[C@]12C 238738024 UHZDNNFXAPCZGB-NPFSJLOYSA-N 362.510 3.747 0 1 FHAF COc1cc(-c2c3c(cc4ccc5c(c24)OCO5)COC3=O)ccc1O 96909751 GKQKUCPNKRBMSU-UHFFFAOYSA-N 350.326 3.620 0 1 FHAF biogenic COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587589597 VWMFSTSLAVAAIU-GHTZIAJQSA-N 363.369 3.673 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2C[C@H]3C[C@@H]1C[C@@](C(=O)O)(C3)C2 587491443 VXTCNCFPVNQSPP-OKLJXTAJSA-N 370.445 3.960 0 1 FHAF CCCCOC(=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587790807 GTWKMAKOERQMNU-HWPZZCPQSA-N 358.251 3.681 0 1 FHAF Cc1cnc(Cl)c2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 587132258 ONQFDSRSDYHDOT-SECBINFHSA-N 372.803 3.889 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2cncn12 587585805 GMIKLGXHNBVKOJ-GHTZIAJQSA-N 358.353 3.743 0 1 FHAF CC[C@]1(c2c[nH]ccc2=N)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748489 XJBBLWDMWOVTCF-DYZYQPBXSA-N 364.262 3.584 0 1 FHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(Cl)cc2[nH]1 587259890 OKQRNSRHHMGHJZ-HNNXBMFYSA-N 372.856 3.923 0 1 FHAF CCOC(=O)C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596876 POGTUHWVSFBTDI-NQIIRXRSSA-N 370.401 3.702 0 1 FHAF COC(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1OC 587092440 OVUKKIUQJFNHBZ-UHFFFAOYSA-N 369.299 3.508 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c(Br)c1C)[C@@H](C2)C3=O 587416704 CLZKYHYKXRRNRJ-APPDUMDISA-N 362.223 3.757 0 1 FHAF COc1ccc(C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600126 LKVHGSBEBNREIU-WOJBJXKFSA-N 362.381 3.974 0 1 FHAF COc1ccc([C@H](O)[C@H](C)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587938149 UALGXVJTEMAJQY-HYORBCNSSA-N 354.303 3.965 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c[nH]nc2c1 587594407 KRVBDNBLFDHKPG-RXVVDRJESA-N 358.353 3.971 0 1 FHAF Nc1cc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2cc1N 587018384 XXRPLLXTKIJKOA-UHFFFAOYSA-N 373.445 3.565 0 1 FHAF Cc1c(Br)cnc2[nH]c(/C=C3\OC(=O)c4ccccc43)nc12 586906049 HIELWKDQCUJCLL-SDQBBNPISA-N 356.179 3.697 0 1 FHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587079128 GVUQZAPIMJBKIM-CXAGYDPISA-N 368.828 3.664 0 1 FHAF O=C(Cc1nc2cc(Br)cc(F)c2[nH]1)OCc1ccccc1 587781589 LHKRQSGLQZQGFP-UHFFFAOYSA-N 363.186 3.750 0 1 FHAF O=C(O)c1ccccc1/C=C/c1nc2c(F)cnc(Br)c2[nH]1 586880388 PZJOKJUAAXTJOS-AATRIKPKSA-N 362.158 3.728 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ncn2)N1 587703917 IBLMKDBCBLWHGZ-ANRSDYALSA-N 370.653 3.829 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CC3(CC3)C2)N1 587818609 RMBMQRMCZHKGNY-BTDLBPIBSA-N 352.247 3.851 0 1 FHAF Cc1nc(O)nc(S)c1[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962660007 FXHFLDBVRZZNQS-NRFANRHFSA-N 363.486 3.856 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cccc(-c2ncon2)c1 963046258 JDCFZVXCCJSVIR-LJQANCHMSA-N 358.401 3.529 0 1 FHAF COc1cc2c(cc1OC)[C@]1(C=CN(C)c3ccccc31)N(C)[C@H](C)C2 962635790 MMTNKZMTQJXYQO-IVZQSRNASA-N 350.462 3.787 0 1 FHAF Cc1cc(C)n(-c2nc(NCC(C)(C)O)c3c4c(sc3n2)CCCC4)n1 1772637427 VFAZBKWMXRWREQ-UHFFFAOYSA-N 371.510 3.555 0 1 FHAF CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)N3CCCCC3)ccc2O1 5070054 ILFBODCVZSUTDF-HKUYNNGSSA-N 372.509 3.684 0 1 FHAF O=C(Nc1cc(-c2ccncc2)[nH]n1)[C@@H]1Cc2ccc3ccccc3c2C1 13493274 LOMXCXVWHDXWAC-QGZVFWFLSA-N 354.413 3.978 0 1 FHAF CC(C)=CCC/C(C)=C/CCCCC(P(=O)(O)O)P(=O)(O)O 13742035 JCYZSGYSCXRCHX-UKTHLTGXSA-N 354.320 3.921 0 1 FHAF in-vitro Cc1nc2cccc(-c3cc4c([nH]3)C3(CC3)NC4=O)c2nc1NC1(C)CC1 206074379 IQBPADAUYOSODU-UHFFFAOYSA-N 359.433 3.630 0 1 FHAF C[C@@H](c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cnn(C)c3)nc21 1857577827 ZPZSPFAZOBJZJU-LBPRGKRZSA-N 373.395 3.523 0 1 FHAF CN=c1[nH]c2cnc(Nc3cccc(N(C)C)c3)cc2n1-c1ccccc1 1857611422 BLNWTAUAUYLBLP-UHFFFAOYSA-N 358.449 3.694 0 1 FHAF CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CCCN(C)C 7991797 MWMMCEABBBTDRC-UHFFFAOYSA-N 366.513 3.965 0 1 FHAF COc1ccc(-c2nnc(SC3=CS(=O)(=O)c4ccccc43)o2)cc1 10489595 WPSROWHLUYGOLG-UHFFFAOYSA-N 372.427 3.623 0 1 FHAF COc1cc2ccc(=O)oc2c(Oc2ccc3ccc(=O)oc3c2)c1OC 14618468 XKKXELKZGYRFLU-UHFFFAOYSA-N 366.325 3.709 0 1 FHAF biogenic CCCCC[C@H](O)CCN1C(=O)CS[C@H]1CCCCCCC(=O)O 27098620 MAKBTMYLUUUASJ-RDJZCZTQSA-N 359.532 3.644 0 1 FHAF c1cc(NC2CCNCC2)nc(-c2cnc3ccc(-c4ccc[nH]4)cn23)c1 29044789 ACFAFRHVCXYHOG-UHFFFAOYSA-N 358.449 3.555 0 1 FHAF CCC(/C=C/C(=O)N[C@@](C)(O)c1ccccc1)=C\c1ccc2c(c1)OCO2 40898443 GXOINKRWGBVGGK-PCUKTARKSA-N 365.429 3.746 0 1 FHAF Clc1ccc(-c2nc(CN3CCC4(CC3)OCCO4)co2)c(Cl)c1 72101877 JFVYMQQOCSILID-UHFFFAOYSA-N 369.248 3.987 0 1 FHAF CCCn1nc(C)c(NS(=O)(=O)c2c(C)cc(OC)c(C)c2C)c1C 73199353 PINPZYAXSLTSRQ-UHFFFAOYSA-N 365.499 3.645 0 1 FHAF CCCCCn1cc(C(=O)NCC2CCCCC2)c(=O)c2c(C)nn(C)c21 95594518 VLCRLODYWJIILG-UHFFFAOYSA-N 372.513 3.544 0 1 FHAF c1ccc(-c2cnn3cc(-c4ccc(N5CCOCC5)cc4)cnc23)cc1 96926997 SJQFEHFHHAGMOM-UHFFFAOYSA-N 356.429 3.900 0 1 FHAF O=C1NC(=S)N/C1=C/c1ccc(-c2ccc(C(F)(F)F)cc2)s1 103224319 JFAMOYANMQYOTH-YRNVUSSQSA-N 354.378 3.779 0 1 FHAF CNc1nc(NCCN2CCCC2)c2sc(-c3ccccc3)cc2n1 103263041 ZPJPWJZVVOEYFF-UHFFFAOYSA-N 353.495 3.908 0 1 FHAF Cc1cc(N)nc(C)c1CNC(=O)c1cc(C)n(Cc2ccccc2)c1C 114077937 VGRRUJVAMGPQKT-UHFFFAOYSA-N 362.477 3.677 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(OC)cc1 169723986 LYJQQIVPQUNOOS-FUHWJXTLSA-N 373.449 3.658 0 1 FHAF CC1(C)CCc2c(cc3oc(-c4ccc(O)cc4O)cc(=O)c3c2O)O1 238766211 CYJQWCRKTUGTCQ-UHFFFAOYSA-N 354.358 3.680 0 1 FHAF Cc1nc2[nH]c([C@@H](C)Sc3ncccn3)nc2cc1Br 586961603 KJVJHKNVRCSVQS-MRVPVSSYSA-N 350.245 3.672 0 1 FHAF N=c1[nH]c(-c2cccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c2)cs1 587022538 YKEFUKLQKGGDSG-UHFFFAOYSA-N 354.366 3.603 0 1 FHAF O=c1cccc(-c2nc3ncccc3[nH]2)n1CCOc1ccccc1Cl 587063955 GFHUGMDHTIFDJX-UHFFFAOYSA-N 366.808 3.519 0 1 FHAF FC(F)=C(C[C@H]1CCCN1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587088274 KSJUWKYWTFRNRM-RXMQYKEDSA-N 367.709 3.726 0 1 FHAF CC[C@@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339059 DJWGMZCVXSMXRR-FPOVZHCZSA-N 366.392 3.929 0 1 FHAF CC[C@H](C(=O)OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348575 HAVGKNFWFQSUNH-PLMTUMEDSA-N 372.392 3.848 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)(C1CCNCC1)O2 587385827 VMLQVTJGGNURKV-OAQYLSRUSA-N 354.425 3.577 0 1 FHAF CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397955 ZCKAFHWBDUTHNY-HXUWFJFHSA-N 356.422 3.745 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(=O)N(C)C)c1)CC2=O 587471052 YFCZORXVHVNXLS-LJQANCHMSA-N 353.418 3.753 0 1 FHAF N=c1[nH]ccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541039 DDGUHQMQWNLKLO-CRAIPNDOSA-N 368.776 3.556 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nccn1C(F)F 587553654 GFMVBHMHNFEAAN-BBRMVZONSA-N 358.300 3.687 0 1 FHAF Nc1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577306 JZXXQUDGUXLZOQ-SIKLNZKXSA-N 359.381 3.778 0 1 FHAF COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587590097 XRMPCGGFZZLYIA-GHTZIAJQSA-N 363.369 3.673 0 1 FHAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cnn(CC)c3)c2c1 587643202 RVSTVNRCCLLVNL-GFCCVEGCSA-N 353.422 3.915 0 1 FHAF CC[C@@]1(c2c[nH]ccc2=N)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748488 XJBBLWDMWOVTCF-BTDLBPIBSA-N 364.262 3.584 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CCN(C)CC2)N1 587765059 BOZXQPYTMCVDMQ-GTNSWQLSSA-N 355.295 3.895 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc3ccccn23)N1 587767277 AIYIGWUVKHWZSG-HWPZZCPQSA-N 360.230 3.860 0 1 FHAF COc1cnccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587774049 LCRUYMBUKATYJF-JDNHERCYSA-N 351.219 3.615 0 1 FHAF Cc1[nH]nc2c1[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587798719 VNWXAOYUSTUCQN-VVVCHXIZSA-N 364.262 3.734 0 1 FHAF CC(C)C1=C[C@]2(CC(=O)O1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587834197 QVEGNBHGAJDAFR-DYZYQPBXSA-N 368.246 3.805 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)CN1CCCCC1 587872467 NNTKQMZBBQZDKB-HNNXBMFYSA-N 359.445 3.850 0 1 FHAF CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(CN)cc4)n3)c2c1 1857759250 PJOIFMZNPPOQBO-UHFFFAOYSA-N 358.449 3.762 0 1 FHAF CSC=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@@H]2C1 2356641178 HFJJFBMNBYVNKQ-JAQHWUBYSA-N 350.480 3.863 0 1 FHAF COC1=CC2=C3C(=CC=C(C)c4cc(C)oc43)N(C(C)=O)[C@@H]2C=C1OC 2356863289 VEMRUOMVFBREGY-QGZVFWFLSA-N 351.402 3.947 0 1 FHAF Cc1cc(C(=O)CS[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)n1C 8582870 HSNCLRVYRRDORE-ZDUSSCGKSA-N 355.463 3.556 0 3 FHAF CCOc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 2034146 KSFZYLAQETXPIR-UHFFFAOYSA-N 359.855 3.924 0 1 FHAF CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2466683 ZEGFHYHEFJVNMT-RTWAWAEBSA-N 362.473 3.686 0 1 FHAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 4041422 OMSVTEYNWPVZRD-TZIWHRDSSA-N 365.477 3.761 0 1 FHAF COc1cc(C[C@H]2C(=O)CC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O 6484668 JOLUVFAUTMXVJY-IAGOWNOFSA-N 370.445 3.799 0 1 FHAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc(F)c(Cl)c1 6770919 PJSOVRGJNHPMJV-UHFFFAOYSA-N 371.755 3.574 0 1 FHAF COc1ccc([C@H](O)[C@@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)cc1OC 14646560 FSDMYBGAIBCOBH-DGCWBMGLSA-N 358.434 3.981 0 1 FHAF biogenic O=S(=O)(/N=[S@](/Nc1ccccc1)C(F)(F)Cl)c1ccccc1 17222076 BQIDHSHTPANPEK-OAQYLSRUSA-N 364.826 3.993 0 1 FHAF O=C(CONC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1 45335714 VDRBZKDWTPWPOW-UHFFFAOYSA-N 372.730 3.659 0 1 FHAF COc1ccc2c(c1)Sc1ccccc1N2NC(=O)CCN1CCCC1 68196770 QWXWNGLHZBXGGK-UHFFFAOYSA-N 369.490 3.815 0 1 FHAF N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ncccn3)c2c1 87613068 PMUABLJRWBECEY-UHFFFAOYSA-N 367.412 3.833 0 1 FHAF O=C(Cc1ccccc1)Nn1c(S)nnc1-c1cccc2ccccc12 103215146 VACUFUIOFGHWAB-UHFFFAOYSA-N 360.442 3.700 0 1 FHAF Cc1onc(-c2cccc(F)c2)c1CNc1ccc(C(=O)NC2CC2)cn1 142259958 MPINDAUAJFPXKM-UHFFFAOYSA-N 366.396 3.688 0 1 FHAF CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccnc2ccccc12 169730655 MTWNWUFREDNUGA-RBUKOAKNSA-N 362.385 3.621 0 1 FHAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CC[C@H](CF)C4)ncn3)c2c1 225637264 PWDHUTBBFASNIM-CYBMUJFWSA-N 355.417 3.603 0 1 FHAF Cc1cc(NCc2cnccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 473090344 OLDJIVBBKPMEOO-UHFFFAOYSA-N 360.339 3.668 0 1 FHAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCO)[nH]c12 586894698 RFRKAEVRQLFFRA-UHFFFAOYSA-N 367.302 3.508 0 1 FHAF C[C@H]1C[C@H](C(=O)O)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991715 VUUVTZNLDLRQNF-QWRGUYRKSA-N 359.381 3.902 0 1 FHAF C[C@@H](c1nc2ccnc(O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130585 WEQSOCGCDYPWOB-BYPYZUCNSA-N 363.702 3.998 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N)c(Br)c1)[C@@H](C2)C3=O 587413809 QPOLKZHDETWNJC-SGTLLEGYSA-N 374.234 3.703 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(F)cc1)CC2=O 587465213 BFLJWINHCMVSJI-NRFANRHFSA-N 372.392 3.908 0 1 FHAF CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587512882 GGARDALRHFEVQQ-NRFANRHFSA-N 357.450 3.910 0 1 FHAF O=C1CC[C@@H]2C[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601235 CIKKJCFEOQDVKC-UENWRYSESA-N 364.397 3.872 0 1 FHAF CC1(C)C[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCO1 587618278 TVJMOXMMSDMQQI-YXKFXFPPSA-N 354.402 3.928 0 1 FHAF CC[C@@H](C)c1ccc2[nH]c(-c3ccnn3CC)c(C(=O)C(=O)OC)c2c1 587641046 DMGCFBHPPUMPEA-GFCCVEGCSA-N 353.422 3.921 0 1 FHAF CCN1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C1 587759196 FDSHUNIDMMEIFP-JKDFXYPNSA-N 355.295 3.679 0 1 FHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587785070 KRHZRQNEPYVJRS-GJZGRUSLSA-N 364.401 3.668 0 1 FHAF CC[C@H](C(=O)OC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587811819 XJGJWPZOMNEXFL-ZYSBLVPFSA-N 358.251 3.537 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](O)C2(C)C)N1 587821854 KDUXGZXRZGEZNU-ANTHHZPCSA-N 356.279 3.889 0 1 FHAF COc1ccc([C@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587936949 NDOIWPMOYLLTFV-XXFAHNHDSA-N 362.332 3.730 0 1 FHAF c1cncc(-n2c(CO[C@H]3CCCCO3)nnc2SC2CCCC2)c1 618017739 XJYDGZYAXMBPCR-KRWDZBQOSA-N 360.483 3.740 0 1 FHAF C[C@]1(c2cc(F)cc(F)c2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963233660 PHGIAAFXQJEHTA-YLJYHZDGSA-N 372.346 3.515 0 1 FHAF c1ccc(Cn2cc(CN=c3c4c([nH]c5ccccc35)CCCC4)nn2)cc1 1772581952 FWWCYJLEODHGNW-UHFFFAOYSA-N 369.472 3.787 0 1 FHAF c1ccc(CCNC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772623199 ZNNTWTDHJJPQOL-IYARVYRRSA-N 374.492 3.712 0 1 FHAF Nc1oc2c(N3CCOCC3)nccc2c1Nc1ccc(F)c(Cl)c1 1857648954 GBWDAXDKSDWCIA-UHFFFAOYSA-N 362.792 3.783 0 1 FHAF COc1cccc(CC(=O)Nc2nc(-c3ccnc4[nH]ccc34)cs2)c1 1857766687 ASOFRFMFCSKIIT-UHFFFAOYSA-N 364.430 3.876 0 1 FHAF CC=Cc1ccc(O[C@H](C)[C@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 2356606782 DIEIEAKVQCTJFH-XCLFUZPHSA-N 374.433 3.952 0 1 FHAF COc1cc(OC)cc(-c2cc3cc4c(cc3o2)OC(C)(C)C(O)(O)C4)c1 2356725352 MBIYNFIYYFOJDE-UHFFFAOYSA-N 370.401 3.511 0 1 FHAF COc1ccc(CN2CCC(CNC(=O)NC3CCC(C)CC3)CC2)cc1 63331383 ATKMCTXHHSPLLK-UHFFFAOYSA-N 373.541 3.785 0 3 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4213253 YUUMXWVTUXKIMX-BMGDILEWSA-N 365.543 3.828 0 1 FHAF O=C(O)C1CCN(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1 34066064 XCXUHQBEIHEAHQ-UHFFFAOYSA-N 351.381 3.737 0 1 FHAF Cc1ccc2c(C(=O)O)cc(-c3ccc(S(C)(=O)=O)cc3)nc2c1C 45259530 XINSVPZIHDLZSQ-UHFFFAOYSA-N 355.415 3.620 0 1 FHAF Cc1n[nH]c(CC(C)C)c1CCC(=O)NCc1ccc(F)cc1Cl 58603640 WHBHNUPGTZWXHP-UHFFFAOYSA-N 351.853 3.958 0 1 FHAF COc1cc(Nc2ccc3c(N)c(OC)ccc3n2)cc(OC)c1OC 73224948 IGAGAYAJWIVOJU-UHFFFAOYSA-N 355.394 3.595 0 1 FHAF CN(Cc1ccccc1)C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21 84742487 HFQOZYWMAVAYJT-UHFFFAOYSA-N 372.424 3.920 0 1 FHAF C[C@@H](Sc1n[nH]c2c3ccccc3nc-2n1)C(=O)N(C)C1CCCCC1 102537793 HDNGGQBQGPRTEO-GFCCVEGCSA-N 369.494 3.729 0 1 FHAF C[C@@H]1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1ccc(F)cc1 168075465 RBPTZTUDUGUXDB-OAHLLOKOSA-N 365.408 3.646 0 1 FHAF Cc1cc(-c2c(C)nn(C)c2-c2ccc(F)cc2)cc2c1OCC(=O)N2 200989438 AMIFKUCPDVXAKP-UHFFFAOYSA-N 351.381 3.841 0 1 FHAF CNc1cccc(-n2ccc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2)c1 299828561 NRHUQMFISQVXSX-UHFFFAOYSA-N 366.417 3.776 0 1 FHAF Fc1ccc([C@H]2CCCn3nc(Nc4ccc5nonc5c4)nc32)cc1 299835904 ZPBSXXNCHCNJLI-CQSZACIVSA-N 350.357 3.623 0 1 FHAF C=Cc1ccc(-c2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)cc1 586882029 RIENWVIVOCTCEC-UHFFFAOYSA-N 355.463 3.903 0 1 FHAF O=C1CCC[C@H](c2nc3cccc(I)c3[nH]2)CC1 586884452 NDZKGZYWFXUOMB-VIFPVBQESA-N 354.191 3.784 0 1 FHAF COC(=O)c1cc(Cl)c2nc(-c3ccc4oc(=O)ccc4c3)[nH]c2c1 586916568 HZNLBHOGMWNJFU-UHFFFAOYSA-N 354.749 3.776 0 1 FHAF COc1cc(Cl)ccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587065956 AISOYIRFHYXMPF-UHFFFAOYSA-N 357.841 3.724 0 1 FHAF N=c1[nH]cc(Cl)nc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104233 QLSMYPMFSCYAGH-UHFFFAOYSA-N 358.788 3.969 0 1 FHAF Oc1nncc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110043 LZCXMTODTDSEMI-UHFFFAOYSA-N 362.233 3.687 0 1 FHAF Cc1cnn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587339825 FRLSVMZHGLMEKD-TZIWHRDSSA-N 366.392 3.854 0 1 FHAF CCOC(=O)[C@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417844 FEBDPEZYUFKJNP-FOIQADDNSA-N 372.804 3.555 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(N)c1)[C@@H](C2)C3=O 587433724 VCIVTYFAEHRKCN-WMZHIEFXSA-N 357.409 3.969 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Cl)n1 587551955 LRYNJPFXOGHJIM-PBHICJAKSA-N 354.749 3.539 0 1 FHAF Cn1ncc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c21 587584229 ZACKCWHTBDTBQF-XMSQKQJNSA-N 372.380 3.982 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2nccc-2c1 587588057 JDVPBXYWBGPISS-XLIONFOSSA-N 358.353 3.923 0 1 FHAF CC[C@@H]1C[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCO1 587616413 JPRQRIQGACJICP-PYYSJVIDSA-N 354.402 3.928 0 1 FHAF CC[C@@]1(c2cnn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587763599 KJDGHDYKDLUUKO-QGHHPUGFSA-N 366.278 3.818 0 1 FHAF CC(=O)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815650 OHCCXHQYCIZBJY-ZMZPIMSZSA-N 362.242 3.955 0 1 FHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587928084 WBYRFRYRBZTTCD-LLVKDONJSA-N 352.394 3.704 0 1 FHAF COc1ccc(/C=C\Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(OC)c1 587930906 WVLFJOJIAIDYOC-ARJAWSKDSA-N 363.417 3.721 0 1 FHAF Nc1nc(-c2ccc(Cl)cc2)nn1-c1ncnc2cc(Cl)ccc12 653795264 NXDHGCDMPADRKA-UHFFFAOYSA-N 357.204 3.767 0 1 FHAF CC(C)c1nn(C)c2c1[C@@H](c1cccc(OC(F)(F)F)c1F)NCC2 962911138 OZPDVXVLYVUFMH-MRXNPFEDSA-N 357.351 3.816 0 1 FHAF C[C@]1(c2ccc(F)cc2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976676 NTRBJSOCJBANSC-SUMWQHHRSA-N 355.743 3.620 0 1 FHAF Nc1cccc([C@]2(CCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)c1 963099485 HUKNTWSBAXIMCO-LAUBAEHRSA-N 354.425 3.537 0 1 FHAF Cc1cc2c(cc1O)[C@](C)(c1cccc3ccsc13)N[C@H](C(=O)O)C2 963525147 LPCHLERUJNAFTP-JXFKEZNVSA-N 353.443 3.778 0 1 FHAF CNC(=O)c1cc(Oc2ccc3c(C)c(C(=O)OC(C)C)[nH]c3c2)ccn1 1772587789 WVRMFMVJGKRTHX-UHFFFAOYSA-N 367.405 3.588 0 1 FHAF CCOC(=O)/C=C/c1ccc(OC)c(O)c1/C=C/c1ccc2c(c1)OCO2 1772616073 QSBRIDDWPJRCSV-RIALUSDFSA-N 368.385 3.876 0 1 FHAF COc1cccnc1C1CCN([C@H]2CCCN(c3cccnc3)CC2)CC1 1857547368 WAOZEZNGGRPDPU-IBGZPJMESA-N 366.509 3.724 0 1 FHAF CC(C)(C)OC(=O)C[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 1857628273 BPIRVFVIWLUPCM-KRWDZBQOSA-N 350.418 3.577 0 1 FHAF CCCCCC(=O)O[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 2356484019 HHDYLMGNZOFWPD-NHCUHLMSSA-N 370.401 3.906 0 1 FHAF COc1cc(O)c(C[C@@H](C)[C@@H](C)Cc2cc3c(cc2O)OCO3)cc1OC 2356549669 HWEDUYYNFQNDIU-OLZOCXBDSA-N 374.433 3.901 0 1 FHAF CC1(C)CCC[C@@]1(C)c1ccc(C(=O)OCC[C@@](C)(O)CC(=O)O)cc1 2356723639 PMMJBYVOCQEGKR-RTWAWAEBSA-N 362.466 3.927 0 1 FHAF Cc1ccc(SCCN2CCN(CCc3ccccc3)CCC2=O)cc1 13661731 SSPKEGBGKOUWAR-UHFFFAOYSA-N 368.546 3.864 0 3 FHAF COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1CCc1ccccc1 13816555 DJQPHNCLBJCIAF-IBGZPJMESA-N 364.445 3.660 0 3 FHAF COc1ccc(CCNCCOc2cc(F)cc3c2O[C@@H](C)CC3)cc1 1539074 GUSXECGCYPXWGE-HNNXBMFYSA-N 359.441 3.759 0 1 FHAF O=C(Nc1sccc1S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F 1653568 XITSXNJXRCWMMZ-UHFFFAOYSA-N 369.773 3.735 0 1 FHAF COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N(C)C 4211878 CODYHEIRNVEANS-FUHWJXTLSA-N 358.825 3.529 0 1 FHAF Cc1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc2c(c1)OCCO2 4617886 RTIAXUYLACAMGU-UHFFFAOYSA-N 358.781 3.888 0 1 FHAF CCN1c2ncc(CCc3ccnc(C)c3)cc2C(=O)N(C)c2cccnc21 5842325 FLSSHCYZWNMCNZ-UHFFFAOYSA-N 373.460 3.713 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)C4CC4)[C@@H]3CC[C@@H]12 13740911 SNGXJCVQBMSSNF-MAMZKFLISA-N 372.553 3.839 0 1 FHAF CC(C)=CCC/C(=C\CC/C(=C\CCC1=CCOC1=O)C(=O)O)C(=O)O 14654720 PNULYALODGNHHJ-FAYHMPLTSA-N 362.422 3.798 0 1 FHAF O=C(O)CCCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 28232021 QCZGLZVHOOEQAG-KRWDZBQOSA-N 369.458 3.618 0 1 FHAF CCOC(=O)/C(=C\Nc1cc(OC)cc(OC)c1)c1ccc(OC)cc1 28714122 KGYKRRBYPAOVTJ-UYRXBGFRSA-N 357.406 3.729 0 1 FHAF CONC(=O)c1cccc(CSc2cnc(Nc3ccccn3)s2)c1 34600660 KXQQIVCSTCQZAB-UHFFFAOYSA-N 372.475 3.865 0 1 FHAF COc1ccc(CCN2C(=O)CS[C@@]23CCc2c(C)cccc23)cc1 38149930 ZXTCAMVMJWPYAJ-OAQYLSRUSA-N 353.487 3.921 0 1 FHAF O=C(Cc1cccc(O)c1)NC[C@@H](Cc1ccc(O)cc1)c1ccccc1 45302909 WRQXWOHFBXAFQO-HXUWFJFHSA-N 361.441 3.783 0 1 FHAF COC(=O)C1=C(C)O[P@@](=O)(OC)CC[C@H]1COCc1ccccc1 45386083 DACCJWKHNMNUQB-OWJWWREXSA-N 354.339 3.526 0 1 FHAF COc1ccc2nc([C@@H]3CCN(Cc4ccc(NC(C)=O)cc4)C3)[nH]c2c1 51076804 LJEMNKUVXMULAN-MRXNPFEDSA-N 364.449 3.519 0 1 FHAF biogenic CCN(CC)CCNc1nc(NCc2ccco2)c2cc(F)ccc2n1 66139150 LUIMCWIWWRYNQO-UHFFFAOYSA-N 357.433 3.728 0 1 FHAF CNc1nc(NCc2ccc(Cl)cc2)nc2cc(OC)c(OC)cc12 82132110 LMXQGCXMIUTNFW-UHFFFAOYSA-N 358.829 3.954 0 1 FHAF CCOC(=O)COc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC 95559014 MDQMRKFAPXZWSE-AWEZNQCLSA-N 372.421 3.520 0 1 FHAF CCOc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2 95566199 HLKDDGMIJIWXOD-UHFFFAOYSA-N 366.437 3.775 0 1 FHAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3cccnc3)nn3ccnc23)n1 207412734 JQEBBDIEGDIYOA-OAHLLOKOSA-N 371.448 3.919 0 1 FHAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)nn12 211306686 XEFFAIIXHQWESO-UHFFFAOYSA-N 366.808 3.906 0 1 FHAF c1cc(-c2nc(O[C@@H]3CCCNC3)c3c4c(sc3n2)CCCC4)ccn1 223661645 HXIRXZZFXRCLRX-CQSZACIVSA-N 366.490 3.763 0 1 FHAF C[C@@H]1C[C@H]2C[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 253798727 YXWAGDSTADMCGH-WOPDTQHZSA-N 362.809 3.560 0 1 FHAF O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@@H](CO)Cc1ccccc1 320783075 VPHPNXOXYBZMJG-LOWQCSRCSA-N 350.245 3.726 0 1 FHAF FC(F)(F)c1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 587041695 OUOXFBXOMYAOAA-DZGCQCFKSA-N 364.396 3.923 0 1 FHAF COC(=O)c1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2n1 587068493 BRKZDXUDCZQWGX-JTQLQIEISA-N 357.797 3.774 0 1 FHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587070529 PDJORDRCIAOTOG-CYBMUJFWSA-N 357.841 3.663 0 1 FHAF CCOc1ccccc1[C@@](N)(c1nc2ccc(F)cc2[nH]1)C(F)(F)F 587091255 COWQVMKMPNAREI-MRXNPFEDSA-N 353.319 3.865 0 1 FHAF Cc1cc(F)c2[nH]c(-c3cncc(I)c3)nc2c1 587185372 SGEUNTHLDPDXIP-UHFFFAOYSA-N 353.138 3.677 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1coc4ccc(Cl)cc4c1=O)[C@@H](C2)C3=O 587423592 WETWOEXBDBHUFR-RBZFPXEDSA-N 368.772 3.944 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)cc4c1O[C@H](C)C4)[C@@H](C2)C3=O 587452122 DGLFVOSAPRXISU-QAUQUCRQSA-N 352.386 3.516 0 1 FHAF CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587525904 WIDOUBUMWCZMIB-JOCHJYFZSA-N 372.461 3.838 0 1 FHAF Cc1c(O)c(C=O)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587531424 GBEBKSJVUUYWCI-GOSISDBHSA-N 352.386 3.804 0 1 FHAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 587586664 JICNMOGUGQUEES-NQIIRXRSSA-N 363.369 3.673 0 1 FHAF C[C@@]1(c2cnc3ccccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590390 ZSSYLALRHPPVPM-UGKGYDQZSA-N 372.380 3.917 0 1 FHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ncccc1C(=O)O 587623444 HIYJVKUZDTUIIN-UHFFFAOYSA-N 371.194 3.875 0 1 FHAF CC[C@]1([C@H](C)CN(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587740876 LGOLIBOSRMUZCA-BWACUDIHSA-N 357.311 3.925 0 1 FHAF COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 587774196 TVMOWLULSFRSCJ-BMLIUANNSA-N 365.246 3.790 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(OC)cc1OC 587870849 UBKMDGPOGCPARR-UHFFFAOYSA-N 370.380 3.794 0 1 FHAF CCOC(=O)[C@H]1COC(C)(C)[C@@]12NCCc1cccc(-c3ccccc3)c12 962670182 VFNIAHFBNQXTRP-AUSIDOKSSA-N 365.473 3.683 0 1 FHAF CN(C)c1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1ccccc1 1857559285 UEYWUPWGSXUCMB-UHFFFAOYSA-N 357.417 3.739 0 1 FHAF CSC1=NC=C2C(=Nc3n[nH]c(C)c3N=C2c2cccc(Cl)c2)N1 1857653451 PVHJMAGWKQFOQA-UHFFFAOYSA-N 356.842 3.742 0 1 FHAF CC1=CCC(=O)CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@H]3C1 2356722103 YBJMYHSWNAFAFV-WQBIKLGVSA-N 357.494 3.614 0 1 FHAF COc1c2ccoc2nc2c(OC)c(OCC=C(C)OCC(C)=O)ccc12 2356782286 DMUYUTJUTCOSQS-UHFFFAOYSA-N 371.389 3.886 0 1 FHAF CC[C@@]12C=C(CNC(=O)NC)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 2382219005 ZHQPJXPDARAOGZ-IRLDBZIGSA-N 364.493 3.514 0 1 FHAF COc1ccc(CN2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)cn1 2382222686 VOUCHUMQQGFYDV-SZPZYZBQSA-N 365.521 3.934 0 1 FHAF CC(C)NC(=O)c1onc(CSc2cccc3ccccc23)c1C(=O)O 8672373 UDDGVIJTTKKNAQ-UHFFFAOYSA-N 370.430 3.957 0 3 FHAF CN(C)c1cccc(C(=O)N2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)c1 11665723 SMSYMPKWUBWWSD-HNNXBMFYSA-N 372.415 3.766 0 3 FHAF COc1ccccc1-c1c(C)[nH]n2c(=O)c(Cc3ccccc3)c(C)nc12 103784920 XDYDMSRASRFQED-UHFFFAOYSA-N 359.429 3.906 0 3 FHAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1 169341614 MVRCSOVXGPLTGN-QGZVFWFLSA-N 353.372 3.958 0 3 FHAF Cc1ccc(C(=O)N[C@@H]2CCCCN(Cc3ccccc3C)C2=O)cc1 200050479 HDTUVUCGAUSYRG-HXUWFJFHSA-N 350.462 3.615 0 3 FHAF CC1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 8661192 FGZDQVUMKWDSPP-RBUKOAKNSA-N 368.502 3.917 0 1 FHAF CCC(=O)OCc1c2c(c(OC(=O)CC)c3occ(C)c13)C[C@H](O)C[C@H]2C 13300460 XVMJURDWENMOTK-DGCLKSJQSA-N 374.433 3.920 0 1 FHAF biogenic COc1ccccc1-c1ccc(C[C@H](NC(=O)C2CCCC2)C(=O)O)cc1 13442208 RKHZYXCEMTUMGS-IBGZPJMESA-N 367.445 3.664 0 1 FHAF CC(C)(C)OC(=O)c1ncn2c1[C@H]1CCCN1C(=O)c1cc(Cl)ccc1-2 13828256 FEJQVWHHYHMMPE-CQSZACIVSA-N 373.840 3.772 0 1 FHAF CN1CC=C(c2c(O)cc(O)c3c(=O)cc(C4CCCCC4)oc23)CC1 25987352 HXEULGMWCGDEJE-UHFFFAOYSA-N 355.434 3.971 0 1 FHAF CC(C)OC(=O)C1=CCCC[C@@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 40861733 CRJRZFSNSIKCBC-INIZCTEOSA-N 374.861 3.824 0 1 FHAF COc1ccc(C(=O)[C@H](O)C2c3ccccc3C(=O)c3ccccc32)cc1 40874382 VPIKEJSVXFDOKH-HSZRJFAPSA-N 358.393 3.615 0 1 FHAF CCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 40877519 XZSQIFFQVQMLFK-MRXNPFEDSA-N 367.445 3.965 0 1 FHAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@H]1N2C 53113314 JGAGHIIOCADQOV-FPOVZHCZSA-N 351.450 3.975 0 1 FHAF in-vivo CC(C)c1nc2c(NCc3cccs3)ncnc2n1C[C@@H]1CCCO1 82178117 OJGMOCRFGIIIQI-ZDUSSCGKSA-N 357.483 3.802 0 1 FHAF C[C@@H](NC(=O)Nc1ccc(Nc2ncnc3[nH]ncc23)cc1)c1ccccc1 95589680 PWXYTXQUAQRJAT-CYBMUJFWSA-N 373.420 3.979 0 1 FHAF CCOC1(OCC)[C@H]2c3cc(OC)ccc3[C@@H]([n+]3ccccc32)C1(C)C 100714691 AIUHBWFVRAAPLW-VQTJNVASSA-N 354.470 3.827 0 1 FHAF COC(=O)/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2CC1 141244925 FVZTYMRKRHXWEQ-KEIROZFUSA-N 360.450 3.786 0 1 FHAF CO[C@]1(C)CC/C=C(/C)CCC2=C(C)C(=O)O/C2=C\[C@](C)(O)CC[C@H]1O 238784436 KEFOKZIMLWOHOY-HFHIMURRSA-N 364.482 3.561 0 1 FHAF COc1ccc(/C=C/C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC1CCCC1 299829608 KOPUSUFGPWIJPG-BVPRHBRVSA-N 359.466 3.666 0 1 FHAF CC(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587150751 TXQNVNJWTWWFSC-CQSZACIVSA-N 369.371 3.560 0 1 FHAF COC(=O)c1cccc2[nH]cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c12 587397067 RONOCJLEFXOUCD-KRWDZBQOSA-N 350.374 3.552 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1c(C)nn(C)c1C)(C(F)F)CC2=O 587465036 FKGDRWWRCTZGGK-IBGZPJMESA-N 364.392 3.821 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1-c1cccnc1)CC2=O 587476116 PETQPHWEVJHVJM-LJQANCHMSA-N 363.417 3.847 0 1 FHAF O=C1C[C@@H](c2cnc3ccc(Cl)nn23)Oc2c1ccc1c2CCCC1 587498547 IXZGRIPMOHWOAQ-INIZCTEOSA-N 353.809 3.968 0 1 FHAF CCn1ncc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587763329 JHSGMKHCLHEXOT-BTDLBPIBSA-N 366.278 3.911 0 1 FHAF CCOc1ccc(OCC)c(-c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)c1 587778756 SKYLILRPWVLHFV-UHFFFAOYSA-N 370.405 3.823 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccccc1 587868116 UXMGOUOLYCGXTB-UHFFFAOYSA-N 361.323 3.855 0 1 FHAF COc1cccc(C(=O)c2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)c1 587930433 BUCZVECTWUPSPS-UHFFFAOYSA-N 364.792 3.913 0 1 FHAF COc1ccc2c(c1)C[C@H](c1nc3ccc(OCCN(C)C)cc3[nH]1)CC2 587947625 YRURZLNYVFMVCN-MRXNPFEDSA-N 365.477 3.784 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@H]1c1cc(OC)cc(OC)c1 653822827 MXXMWNPXBMHKEO-IKGGRYGDSA-N 360.431 3.541 0 1 FHAF Cc1cc2c(cc1F)[C@@](C)(c1ccc(SCC(=O)O)cc1F)NCC2 962303986 YTQJGDRQXQVFGF-LJQANCHMSA-N 363.429 3.859 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2OC)(C(=O)O)N1 962958948 VFFLVGDAGDMSES-NYHFZMIOSA-N 364.445 3.623 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccnc(-c4ccsc4)c3)c3cccc1c32 963021546 HXOYQZVRSYBPES-VFNWGFHPSA-N 361.470 3.953 0 1 FHAF COc1cccc2cc3c(nc12)[C@H](c1cnc(-c2ccco2)nc1)NCC3 963036788 OKWZMWZPYDFIGU-IBGZPJMESA-N 358.401 3.529 0 1 FHAF CC[C@@H](C)NC(=O)c1c(NC(=O)c2ccc(C)cc2)nc2ccc(C)cn12 1857594353 FSYNLQXNCPQBAM-OAHLLOKOSA-N 364.449 3.732 0 1 FHAF CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccs1 8684365 PUMCLQFZOLPQOB-MRXNPFEDSA-N 373.503 3.578 0 3 FHAF Nc1nc(Cl)cc(NC[C@@]2(CO)CC[C@H](CCc3ccccc3)C2)n1 1658374 GTKRXPJZARRCLS-HNAYVOBHSA-N 360.889 3.536 0 1 FHAF COc1cc(-n2cncc2-c2ccc(N(C)C)cc2)cc(OC)c1OC 13473115 YLXGYHZPMHNEKX-UHFFFAOYSA-N 353.422 3.631 0 1 FHAF CCCCCC(=O)OC[C@@]1(CO)C/C(=C\C=C(C(C)C)C(C)C)C(=O)O1 13805648 LOWPNKDACIRXQY-KRWRZEAGSA-N 366.498 3.953 0 1 FHAF Cc1cccc(C)c1NC(=O)CCCNCC(=O)Nc1c(C)cccc1C 28706772 DXGUGBQNQXOPTK-UHFFFAOYSA-N 367.493 3.867 0 1 FHAF NC[C@H](NC(=O)c1cc(-c2c[nH]c3ncccc23)cs1)c1ccccc1 40395520 ZNBOMXQVNVLXCZ-KRWDZBQOSA-N 362.458 3.721 0 1 FHAF CC[C@H](C)N(C[C@H](O)CNc1cc(OC)cc2cccnc12)[C@H](C)CC 40933581 CMUQIECDLISBIR-SOLBZPMBSA-N 359.514 3.915 0 1 FHAF O=C(Nc1cccc(F)c1F)c1cn2cc(-c3ccccn3)ccc2n1 43207818 WHAXCOVHQIMPCN-UHFFFAOYSA-N 350.328 3.927 0 1 FHAF NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc([C@@H]4CCCNC4)cc3F)nc12 63540117 UGHBIMSDMGHFIE-LLVKDONJSA-N 372.831 3.588 0 1 FHAF O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCCC[C@H]1O 103205810 JSGSCRWSGFLCOR-OLZOCXBDSA-N 371.808 3.794 0 1 FHAF NCCCCN(C[C@@H]1CCc2ccccc2N1)[C@H]1CCCc2cccnc21 103242145 KRKPKZOTZGHYAF-UNMCSNQZSA-N 364.537 3.927 0 1 FHAF Cc1cc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)ccc1F 170602547 PYBFLADPIRBTBJ-UHFFFAOYSA-N 356.353 3.780 0 1 FHAF C/C=C(/C)[C@H]1O[C@H]2C(CO)=C[C@@](C)(/C=C/C(=O)O)[C@H]3C(C)=C[C@]1(C)[C@]32C 238766087 ZEQFTKODFDOLED-MYFVQVSPSA-N 358.478 3.888 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(OC(C)C)cc3[nH]2)c1 586921766 MMRQVFMFFWJVFQ-UHFFFAOYSA-N 358.463 3.735 0 1 FHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(F)c(F)cc2[nH]1 586972580 IOFNFALBUNFURR-QGZVFWFLSA-N 361.417 3.952 0 1 FHAF COC(=O)[C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991489 KOVDVHOMYDDVQX-CYBMUJFWSA-N 359.381 3.745 0 1 FHAF COc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1F 587005816 UTHSOENOZNCDOW-UHFFFAOYSA-N 357.570 3.584 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc12 587075624 JUWSQCCLMKMYPL-UHFFFAOYSA-N 367.796 3.559 0 1 FHAF O=C(CSCc1nc2cnccc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587112576 AOPNJOJMDYBTOX-UHFFFAOYSA-N 366.368 3.849 0 1 FHAF COc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1F 587132205 MUUWDISYSKGMLH-SECBINFHSA-N 371.359 3.680 0 1 FHAF Cc1ccc(NC2(c3nc4ccc(S(=O)(=O)O)cc4[nH]3)CCCC2)cc1 587237551 STSKXXZPRIGLFV-UHFFFAOYSA-N 371.462 3.999 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)nc(Cl)c3[nH]1)C2 587247034 LYMHQRCSAAHXKQ-QGZVFWFLSA-N 363.248 3.616 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccccc1)CC2=O 587485492 WVEJEGHIICHANA-OAQYLSRUSA-N 354.402 3.769 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnn1CC1CC1 587579640 FDHKKAWXYOGFSO-WIYYLYMNSA-N 362.385 3.702 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nccn23)N1 587776546 XXKUKMQZEKLOIB-BMLIUANNSA-N 360.230 3.860 0 1 FHAF CO[C@@H](C)COC1CCC(c2nc3ccnc(Br)c3[nH]2)CC1 587953069 ZCSZQONRVOSZQS-UNXYVOJBSA-N 368.275 3.798 0 1 FHAF CS(=O)(=O)C1CCC2(CC1)NCCc1cccc(-c3ccccc3)c12 962661670 KAPGAAWBLKLENG-UHFFFAOYSA-N 355.503 3.682 0 1 FHAF CC(C)[C@@]12C=C[C@@](C)(O)CC(=O)C[C@H](C)CC[C@H](OC=O)[C@@](C)(CC1)O2 2356474274 KXWFDYNNCDYRQV-RSRIQPTJSA-N 366.498 3.578 0 1 FHAF COC(=O)C[C@H](C)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](O)[C@@]2(C)O 2356553247 SIPUAJNOWFIDSZ-GBWKNCTISA-N 354.531 3.930 0 1 FHAF CC=Cc1cc2c(cn1)C(=O)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@H]1C2 2356752344 XZLAVLLIHLWTLQ-PLMTUMEDSA-N 355.434 3.551 0 1 FHAF CC[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2C[C@@H](OC)C2=C[C@H](O)[C@H]3C[C@]21C(=O)O3 2356831025 JLKFAPDEQPJKJG-XJUZVGLPSA-N 358.478 3.541 0 1 FHAF COc1ccc(NCc2ccc(OC)c(Cn3ccnc3)c2)c(OC)c1 9740685 WBEZUVHCQIUCPT-UHFFFAOYSA-N 353.422 3.569 0 3 FHAF O=S(=O)(c1cccs1)N1CCCc2nc(-c3ccccc3)ccc21 199724766 QNAAYVADHWWMAM-UHFFFAOYSA-N 356.472 3.952 0 3 FHAF N=C(N)c1ccc2c(c1)ncn2CC(=O)c1ccc(-c2ccccc2)cc1 578837 YWMYHDFGDRTCPV-UHFFFAOYSA-N 354.413 3.870 0 1 FHAF Cc1cc(CCCCCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 3590243 OLKUJKCKSFERJL-UHFFFAOYSA-N 369.469 3.972 0 1 FHAF O=C(O)Cc1c(C(=O)c2cc3c(cn2)CCCC3)[nH]c2cc(Cl)ccc12 3994744 CKTUGDQFDNCZCX-UHFFFAOYSA-N 368.820 3.953 0 1 FHAF Cc1nn(C(=O)CCC(=O)N[C@H]2CCCc3ccccc32)c2ccccc12 6768727 ZVMGTFAYQVZBGZ-IBGZPJMESA-N 361.445 3.959 0 1 FHAF O=C1Nc2ccccc2C2=N[C@H](CN3CCC(Cc4ccccc4)CC3)CN12 22940667 QEMAUWRJYRWFKT-LJQANCHMSA-N 374.488 3.618 0 1 FHAF COCCCc1cc2n(c1C(=O)c1ccc(Cl)cc1)CC[C@@H]2C(=O)O 27977985 XPSMURFGUBHFAO-HNNXBMFYSA-N 361.825 3.523 0 1 FHAF COc1ccc(-c2ncoc2-c2cc(OC)c(OC)c(OC)c2)cc1N 29414320 MQRJFHJJADTTDC-UHFFFAOYSA-N 356.378 3.625 0 1 FHAF CC(=O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C 34845483 YYEPDBKFCHASFG-UHFFFAOYSA-N 368.368 3.727 0 1 FHAF COc1cccc(CN2CCO[C@@]3(C2)CC(C)(C)Oc2ccccc23)c1 40859884 WDOCEXZDZODFFC-JOCHJYFZSA-N 353.462 3.984 0 1 FHAF NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc([C@H]4CCCNC4)cc3F)nc12 63540118 UGHBIMSDMGHFIE-NSHDSACASA-N 372.831 3.588 0 1 FHAF CCC(=O)N1N=C(c2ccc(N3CCOCC3)cc2)C[C@H]1c1cccs1 103205872 PJKSUNQGPFMAGG-SFHVURJKSA-N 369.490 3.672 0 1 FHAF Cc1ccc2nc3c(O)n(CC(=O)NCCC4=CCCCC4)ncc-3c2c1 103536811 MMCCZNCOGINZIF-UHFFFAOYSA-N 364.449 3.557 0 1 FHAF COc1cc2nc(NCc3cccnc3)c(-c3ccncc3)nc2cc1OC 115765017 DQXZHXWTJBKVHQ-UHFFFAOYSA-N 373.416 3.716 0 1 FHAF CN1CCCc2ccc(NC(=O)N3CC=C(c4ncccc4F)CC3)cc21 141070055 SYQNVYKCHDFQEW-UHFFFAOYSA-N 366.440 3.924 0 1 FHAF O=C1c2ccccc2C2=NC(=S)N[C@H](c3cccc(Br)c3)[C@H]12 169726056 UBOVKIKFCZBYPU-UONOGXRCSA-N 371.259 3.680 0 1 FHAF COC(=O)CCCCCCC[C@@H](OC)[C@H](O)CCCCCCCCO 238756650 GUOYDYSJXRSPQF-RTBURBONSA-N 360.535 3.989 0 1 FHAF COc1ccc2c(C)c(CCc3nc4cc(C)cnc4[nH]3)c(=O)oc2c1C 586918049 HQURKBFPMBZPMH-UHFFFAOYSA-N 363.417 3.783 0 1 FHAF Oc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587002608 XPRMGDWMWZRAMB-DAFODLJHSA-N 373.206 3.973 0 1 FHAF FC(F)(F)c1cnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587041995 REPXTUFFFJPWIT-ZIAGYGMSSA-N 364.396 3.923 0 1 FHAF NC(=O)c1cccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c12 587164205 XYPBCDWCCIBHAR-UHFFFAOYSA-N 374.375 3.720 0 1 FHAF Nc1c(-c2nc3ccc(Br)c(O)c3[nH]2)cnc2c(F)cccc12 587176815 SZTJKBAPWIQWJV-UHFFFAOYSA-N 373.185 3.968 0 1 FHAF Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1C 587236869 GVTIFJQUCWGBEW-UHFFFAOYSA-N 359.470 3.835 0 1 FHAF CC1=C(c2ccc3nc(-c4ccc5ccccc5c4N)[nH]c3c2)NNC(=O)C1 587253349 ISOQLFHSBVZUGF-UHFFFAOYSA-N 369.428 3.721 0 1 FHAF Oc1nc(O)c2ccc(-c3ccc(OC4CCCCC4)c(F)c3)nc2n1 587368024 GOHHLTUZPIJGTK-UHFFFAOYSA-N 355.369 3.954 0 1 FHAF Oc1nc(O)c2cc3c(nc2n1)CC[C@@H](c1cccc(C(F)(F)F)c1)C3 587368535 SHSNFSKLDRTHKN-SNVBAGLBSA-N 361.323 3.727 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OC(F)(F)F)c1O)O2 587383643 UKXKQVSGUZJRFY-CQSZACIVSA-N 353.296 3.888 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(F)ccc(C)c21 587471217 JRLPTBRXSSROEY-FQEVSTJZSA-N 355.365 3.605 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CN)(c1ccc([C@@H](C)OC)cc1)CC2=O 587473128 QEILMFXMZLSPJP-PEBXRYMYSA-N 369.461 3.872 0 1 FHAF CC(C)O[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655368 DNSYGECELONWPG-GFCCVEGCSA-N 372.371 3.795 0 1 FHAF CC(C)n1ccnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587754277 LJZKYAQYZHAKBV-BMIGLBTASA-N 352.251 3.989 0 1 FHAF CCc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1CC 587765235 RYIQVDADEACOHJ-DYZYQPBXSA-N 366.278 3.991 0 1 FHAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587773638 RBSVCUWLFXNHDQ-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2NC=Cn3cccc32)N1 587775309 ZBSDLDKKSKRMGR-FDOKIQAASA-N 362.246 3.738 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(O)cc(O)c2)N1 587826327 AHEOYORHLXLHPQ-VVVCHXIZSA-N 366.230 3.797 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CCO)cc2)N1 587829204 WJMMNHRBVATYEA-VOJFVSQTSA-N 364.258 3.747 0 1 FHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587925496 BQQIJLWYHZCOCL-NSHDSACASA-N 358.369 3.959 0 1 FHAF COc1ccc(-c2cccc([C@H](CC(=O)O)c3nnc(C)o3)c2)c(OC)c1 1772621112 RDCYLSLBLQWHCF-KRWDZBQOSA-N 368.389 3.669 0 1 FHAF CCc1c(C(=O)N[C@@H](CO)Cc2ccccc2)[nH]c2ccc(Cl)cc12 1857758878 HTUDNZNSJDVDJG-OAHLLOKOSA-N 356.853 3.717 0 1 FHAF CCN(Cc1nc2c([nH]1)c(=N)[nH]c1cc(-c3ccccc3)ccc12)C(C)=O 1857765335 NIOGKLGRFWVTGS-UHFFFAOYSA-N 359.433 3.559 0 1 FHAF CC=C1CN2CC[C@@]34C(=C(OC(C)=O)[C@@]1(C)C[C@@]23C)Nc1ccccc14 2356669091 MNUGHIINEFKPIJ-BHDDXSALSA-N 350.462 3.959 0 1 FHAF COc1ccc2c(c1OC)CN(C)[C@@H]1c3cc4c(cc3C=C[C@H]21)OCO4 2356845559 OGDCDPWBKHUIEV-VLIAUNLRSA-N 351.402 3.730 0 1 FHAF C[C@@]1(C(=O)NCCc2ccc(F)cc2)CON=C1c1ccc(Cl)cc1 768637 XKHZUKXIJRESNH-LJQANCHMSA-N 360.816 3.579 0 1 FHAF C[C@@H](O)CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28098787 IWUPUFYAMCDDIO-PDXHDDNESA-N 372.459 3.540 0 1 FHAF Cc1cc(C)n(C[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)n1 117309122 FZPRQRQELHONGW-WOVMCDHWSA-N 360.889 3.846 0 1 FHAF CN(C)C(=O)c1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1 29135824 JLOSAZNAGSFMTH-UHFFFAOYSA-N 364.401 3.984 0 1 FHAF COc1cc([C@@H]2Oc3c(OC)cc(C=CCO)cc3[C@H]2C)cc2c1OCO2 2356563706 ALMMZKOPVITQNK-CWTRNNRKSA-N 370.401 3.675 0 1 FHAF COc1cc(C(=O)c2sc(-c3ccncc3)cc2N)cc(OC)c1OC 35065307 DFXZKJYAJLZBKO-UHFFFAOYSA-N 370.430 3.649 0 1 FHAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](CO)[C@]2(C)C[C@@H](O)c1ccoc1 15157340 MDRPZJALROIKMT-XAVVYEHISA-N 362.466 3.627 0 1 FHAF biogenic Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2CC(C)C)cc1 45339912 QGZUUWXSBRBAQL-SFHVURJKSA-N 359.491 3.993 0 1 FHAF C=Cc1cccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)c1 220460892 NAWRRYDZYIOCGS-UHFFFAOYSA-N 353.443 3.840 0 1 FHAF CC(C)CN(C)c1ncc(C(=O)NCC2CC2)c(-c2ccccc2F)n1 82151289 YXRSYWQMEKWWQJ-UHFFFAOYSA-N 356.445 3.515 0 1 FHAF O=C(Nc1cc(F)c(-c2cn[nH]c2)c(F)c1)[C@@H]1COc2ccccc2C1 40409750 VYWFLGVPKXPOKG-LBPRGKRZSA-N 355.344 3.545 0 1 FHAF COc1cc(-c2c3c(cc4cc5c(cc24)OCO5)COC3=O)ccc1O 238760325 XQEPRVSHRZTXLE-UHFFFAOYSA-N 350.326 3.620 0 1 FHAF C=C(CCCC(C)(C)O)C(=O)CC[C@]1(C)CC[C@@H]([C@H](C)C(=O)OC)OO1 85566939 VQXVFFWQWCQNFB-RIFZZMRRSA-N 370.486 3.512 0 1 FHAF biogenic N[C@H](Cc1nc2ccc(F)c(F)c2[nH]1)c1ccc(Br)cc1 586998028 WJZOQFWJUMDRNC-LLVKDONJSA-N 352.182 3.846 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CN(Cc4ccccc4)CC[C@H]1C)[C@@H](C2)C3=O 587438817 RGWCCYJECSIZOU-VVWXKSFDSA-N 363.457 3.723 0 1 FHAF COC(=O)c1cc2nc(CC3CC(N)C3)[nH]c2c(F)c1Nc1ccccc1 587255587 RDAQLCMDDDKKAN-UHFFFAOYSA-N 368.412 3.512 0 1 FHAF COc1cc2c3c(c1)O[C@@H](CCc1cc(F)c(OC)c(F)c1)[C@@H](C2)C3=O 587424673 RSLQZYHQNVKMJT-CJNGLKHVSA-N 360.356 3.731 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H](C(=O)O)CC2 587613345 YTKLKFCFVJQGIA-JRQSSSKMSA-N 368.385 3.758 0 1 FHAF COc1cccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587387382 PMZLSXNZRUMYDY-SHBDEGQCSA-N 352.434 3.522 0 1 FHAF CCn1cc([C@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587583735 XDFGZVJOKFRTOE-NQIIRXRSSA-N 364.401 3.876 0 1 FHAF CCC(=O)[C@@H](C(=O)OC)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587106218 JMNCUBSEIZKQSI-HXUWFJFHSA-N 373.408 3.990 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)O)o2)N1 587827201 IHQBVFCLYPDZMG-PWJLMRLQSA-N 368.202 3.677 0 1 FHAF Nc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n[nH]c2c1 587592452 HDWOGLJXAPYMRT-DYESRHJHSA-N 373.368 3.554 0 1 FHAF Clc1ccc(CC2(c3nc4nc(Br)c[nH]c-4n3)CC2)cc1 587074430 XSTTXBBFXVICDQ-UHFFFAOYSA-N 363.646 3.995 0 1 FHAF CCN1CCC([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587770659 SMBWXOHFBQCQDH-PIGZYNQJSA-N 355.295 3.895 0 1 FHAF Cc1c(Br)cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1C 587250557 YQSUQWBCLFHYHM-UHFFFAOYSA-N 374.238 3.813 0 1 FHAF CCOc1ccc([C@]2(C)NCCc3c2c(C(C)C)nn3C)c(OCC)c1 962922190 VXCFXKSHSQWSDA-NRFANRHFSA-N 357.498 3.750 0 1 FHAF CC(=O)N1CCc2sc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)cc2C1 963118614 ZTESBDCEOWEJNV-UTKZUKDTSA-N 370.493 3.902 0 1 FHAF C[C@H]1C[C@@]2(CCN1Cc1ccccc1)c1ccsc1CCN2C(N)=O 962721495 ZPXKMKCUVRDUPV-YWZLYKJASA-N 355.507 3.565 0 1 FHAF Clc1c(Br)cccc1[C@@H]1NCCc2nc3ccccn3c21 962982682 JFFPFKWXKFNENR-HNNXBMFYSA-N 362.658 3.985 0 1 FHAF CCc1c(C)[nH]c(=O)c(N(C)[C@H](C)COC)c1Cc1cc(C)cc(C)c1 5886202 QWUKBBWNPIGBCU-MRXNPFEDSA-N 356.510 3.924 0 1 FHAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)CCc1ccccc1 13488386 GDVRZKITCJWGMS-DQEWXYAXSA-N 373.493 3.562 0 1 FHAF C[C@@H]1C[C@]2(C[C@@H](CN(C3CCCCC3)C3CCCCC3)OC2=O)C(=O)O1 17131307 NEYOBFYBCKOYGK-YWMUFLPLSA-N 363.498 3.591 0 3 FHAF CCCCC[C@H](O)/C=C/[C@H]1COC(=O)[C@@H]1CCCCCCC(=O)OC 169318073 QKIWIMOLPKYATQ-YUDUXVMTSA-N 354.487 3.787 0 1 FHAF CN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2C2CCCCC2)cc1 206165895 WFCSYSDYBYDPQV-UHFFFAOYSA-N 356.422 3.559 0 1 FHAF COc1ccccc1C=CCN1C[C@@H]2CCC[C@H](C1)[C@@]2(O)c1cccnc1 1857627053 GPOIPVRAQNIIHX-SGRGSNTQSA-N 364.489 3.723 0 1 FHAF Ic1ccc(CCCOCCCc2c[nH]cn2)cc1 13747366 CEQTUMPCLZAZJB-UHFFFAOYSA-N 370.234 3.596 0 1 FHAF COc1ccc([C@H](C(=O)NC2CCCC2)N2CCc3ccccc32)cc1 3625644 TYDXTZOUGWPWNR-OAQYLSRUSA-N 350.462 3.858 0 3 FHAF C[C@]1(CC(=O)O)[C@H](CC(=O)O)CC[C@@H]2[C@@H]1CC[C@]1(C)[C@H]2CC[C@@]1(C)O 2356377619 GLMFZHFDUVUNOC-ZTTFMMGISA-N 352.471 3.546 0 1 FHAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2c1cccc2N1CCCC1 28964819 UOHCGMBECWOBEU-SFHVURJKSA-N 361.449 3.972 0 1 FHAF COc1ccc2scc(N3CCN(Cc4ccccc4)CC3)c(=O)c2c1 63751454 YSQYOSBYXQEOCS-UHFFFAOYSA-N 366.486 3.592 0 1 FHAF CN1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1911576350 OUMSYZVQKXYKRZ-UHFFFAOYSA-N 355.238 3.624 0 1 FHAF O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc(-c2cccc(F)c2)no1 71341925 RZQLAROFFIWLGZ-MRXNPFEDSA-N 355.344 3.992 0 1 FHAF CCOC(=O)/C=C/c1c(O)ncnc1Oc1c(Cl)cccc1Cl 72177627 RYFCZTSDUASCFB-VOTSOKGWSA-N 355.177 3.858 0 1 FHAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(C)cc(C)c32)c1 40918413 DNZVTWQDHMXNKZ-LJQANCHMSA-N 351.402 3.689 0 1 FHAF CCc1cc(Cl)cc(Cl)c1CC(=O)N[C@H]1COc2ncccc21 146512475 AENFJUXDIHASKV-HNNXBMFYSA-N 351.233 3.743 0 1 FHAF Cc1cc(OCCN2C[C@H](C)O[C@H](C)C2)nn1-c1ccc2ccccc2c1 95556700 ZEDMSACHUKBGJU-HDICACEKSA-N 365.477 3.822 0 1 FHAF CCCn1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587763663 KZYDVEUHBJJVNO-PIGZYNQJSA-N 366.278 3.992 0 1 FHAF N=c1[nH]oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 587578239 VMOHYPYDWUSHHN-PXNSSMCTSA-N 374.352 3.649 0 1 FHAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587151994 WKJVUUJMEXBPKD-ZDUSSCGKSA-N 373.403 3.813 0 1 FHAF Cc1cc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2c(C)n1 587042821 MXSARFKFSPBWQU-AWEZNQCLSA-N 358.854 3.884 0 1 FHAF CCn1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587579342 DKPZBTYGTAXOBT-FXAWDEMLSA-N 350.374 3.620 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCc4cc(NC(C)=O)ccc41)[C@@H](C2)C3=O 587433706 UWHYEVYSJHQOFZ-PGRDOPGGSA-N 363.413 3.633 0 1 FHAF CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(C)cc1 587208116 ZDALOBITTBFXTG-ZDUSSCGKSA-N 373.359 3.613 0 1 FHAF Nc1ccc(/C=C\c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 587251405 GFNUVHNVYPTBJM-BAQGIRSFSA-N 367.352 3.609 0 1 FHAF COc1ncc(F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587731823 KYPVBLOORAOPSU-VXJOIVPMSA-N 369.209 3.755 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(Cc3cccc(NC(C)=O)c3)nc2c1 587241937 GDCZBXZDVXWIQG-UHFFFAOYSA-N 357.797 3.552 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)OCC)nc1)CC2=O 587489937 XENITCSAVTUUJL-OAQYLSRUSA-N 369.417 3.797 0 1 FHAF CCOC(=O)C[C@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 587400478 PWDGAMCWOZRUOP-NRFANRHFSA-N 353.418 3.700 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(OC[C@@H]4CCCO4)c1)[C@@H](C2)C3=O 587455180 KIGIYCDAJILYQE-SGXKBVARSA-N 366.413 3.742 0 1 FHAF c1ccc2c(c1)CC[C@]21C[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 586892376 WWWYSHSWVWPXKS-CVDCTZTESA-N 359.473 3.767 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cccc(Oc4ncccn4)c1)[C@@H](C2)C3=O 587435609 HMYUMDQXTUELND-HTAPYJJXSA-N 374.396 3.940 0 1 FHAF CC[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339063 DJWGMZCVXSMXRR-TZIWHRDSSA-N 366.392 3.929 0 1 FHAF CC[C@@H]1CCC[C@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963137785 GJDVFOSHXSEZJK-SUFBMKPHSA-N 366.483 3.795 0 1 FHAF Oc1cncc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962958461 OIGCOEFUODQDDU-QGZVFWFLSA-N 364.367 3.547 0 1 FHAF Cc1cc2c(cc1O)[C@H]([C@H]1CCC[C@H](C(F)(F)F)C1)N[C@H](C(=O)O)C2 963512444 WGMHGFSZFVHFBY-ZAJUMQRFSA-N 357.372 3.709 0 1 FHAF CCc1ccc([C@]2(C[C@H](C)CC(=O)O)NCCc3ccc(O)cc32)cc1 963330309 WOEZVXYQGXNEQK-QRQCRPRQSA-N 353.462 3.845 0 1 FHAF OCCNc1nc(Nc2cccc(C(F)(F)F)c2)nc2ccsc12 1772628965 QAEDMYYLDVBKBV-UHFFFAOYSA-N 354.357 3.858 0 1 FHAF c1ccc(Nc2nc(NC[C@H]3CCCO3)nc(Nc3ccccc3)n2)cc1 1772573595 XNYKLYFWQRWGDI-QGZVFWFLSA-N 362.437 3.950 0 1 FHAF CC1=C(C(=O)NCCc2ccc(Cl)cc2)C2(CCC(C)CC2)OC1=O 5058725 VDWNKHDMRWRPSD-UHFFFAOYSA-N 361.869 3.821 0 1 FHAF CC(=O)N1CCC(N2CCC[C@H](CCc3c(F)cccc3F)C2)CC1 12228214 GLDSQFBFUMNSJV-MRXNPFEDSA-N 350.453 3.620 0 1 FHAF COc1ccc(C(=O)Cc2nc3ccccc3n(-c3ccccc3)c2=O)cc1 13125458 KRIWUSKDQTVSEU-UHFFFAOYSA-N 370.408 3.820 0 1 FHAF CC[C@@H](O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 13834606 KICDMNVNNBMFEL-MRXNPFEDSA-N 353.470 3.723 0 1 FHAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C/C[C@@H]21 169290093 ZTMJVNGXHMSKDT-NIOSPIBVSA-N 350.499 3.913 0 1 FHAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4[C@H]5CCO[C@H]5CC[C@@]4(C)[C@H]2CC[C@H]1C3 169357904 RHAGZIUYLFSMDE-NIWBNMPMSA-N 362.510 3.702 0 1 FHAF CC[C@@H](C)N1C(=O)CN(C2CCC(C)CC2)C(=O)[C@H]1c1ccc(F)cc1 3038503 OVSYWPLDBYZTPC-QMHOHPBOSA-N 360.473 3.915 0 1 FHAF CCN1c2ncc(CCc3cccc(N)c3)cc2C(=O)N(C)c2cccnc21 5842283 PDGLHDNSYURVOE-UHFFFAOYSA-N 373.460 3.592 0 1 FHAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@H]([C@H](C)C(=O)N1CCCCC1)C2 25206675 YJEVWDDISZOYOD-RDJZCZTQSA-N 373.493 3.520 0 1 FHAF biogenic O=C(O)C(=O)CC(=O)c1ccc(Cc2ccc(Cl)c(Cl)c2)cc1 28220277 STGLMTTUJPJBAX-UHFFFAOYSA-N 351.185 3.811 0 1 FHAF COc1ccc([C@H]2[C@@H]3CSc4ccc(OC)cc4C3=NN2C(C)=O)cc1 28635513 VGPDGUAKRHAHGI-XLIONFOSSA-N 368.458 3.733 0 1 FHAF NC(=O)c1ccc(Oc2ccc3c(c2)CCN(Cc2ccccc2)C3)nc1 28825019 MPULIPYEDABGKW-UHFFFAOYSA-N 359.429 3.531 0 1 FHAF N[C@@](c1ccccc1)(C(F)(F)F)[P@@]1(=O)OC(=O)c2ccccc2O1 31899427 XANUINOEWNPJKP-SHACYNPGSA-N 357.224 3.803 0 1 FHAF C[C@@H]1CN(c2ccccc2Sc2ccc(O)cc2)[C@H](C)CN1CC(=O)O 36143357 PCQJAOOELCNQMN-HUUCEWRRSA-N 372.490 3.527 0 1 FHAF CCc1nnc([C@@H](Cc2ccccc2)n2sc3ccccc3c2=O)o1 95595779 ZXDPNTWLDRMMJO-OAHLLOKOSA-N 351.431 3.841 0 1 FHAF COc1cc2c(c3c1C[C@@H]1[C@@H](C)CO[C@]1(C)O3)C[C@@H]1[C@@H](C)CO[C@]1(C)O2 96900516 ZSSJLODECHELBC-UFKIYAFNSA-N 360.450 3.562 0 1 FHAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2-c2cc(F)ccc21 96906439 OUEPYXLGBQMEPH-UHFFFAOYSA-N 363.801 3.578 0 1 FHAF COc1cc(/C=C/C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc(OC)c1OC 100523475 MMMFYPLHQSTVKB-YITADHOGSA-N 359.466 3.667 0 1 FHAF C[C@@H]1C(=O)C[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C 102191827 XVYFFIJITDUPCR-AGLCBUGJSA-N 353.506 3.922 0 1 FHAF COc1ccc(Cl)c(-c2ccc(NC(=O)c3conc3C)nc2N)c1 113431080 RKNXQTWHCQJWPQ-UHFFFAOYSA-N 358.785 3.542 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(/C=C\Br)cc2)C[C@H]2CC[C@H]1N2C 136818659 QRRDJSMVPRYYBA-CPWDUDTCSA-N 364.283 3.792 0 1 FHAF O=C(Cc1ccc(Cl)cc1Cl)N[C@@H]1COc2cnc(Cl)cc21 146591503 KOLYAMUCGBXOAR-GFCCVEGCSA-N 357.624 3.834 0 1 FHAF Cc1nnc(CN(C)C)n1-c1ccccc1C(=O)c1ccccc1Cl 169333081 VQWHOHJTJXSIRK-UHFFFAOYSA-N 354.841 3.522 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1F 169723927 YRXCEVDLAFSRTE-WBVHZDCISA-N 361.413 3.789 0 1 FHAF O=C(O[C@H]1C[C@H]2C[C@H]1C[C@H]2n1cnc2c(Cl)ncnc21)c1ccccc1 195509751 LFNDXIWNKYRRHL-BARDWOONSA-N 368.824 3.676 0 1 FHAF CN1CCN(CCCCC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 299866711 WJPYNHYUEXNFHO-UHFFFAOYSA-N 351.494 3.710 0 1 FHAF Oc1cccc2c1OCC(c1nc3c(O)c(Br)ccc3[nH]1)=C2 586908826 RXRMYHKIROPDEJ-UHFFFAOYSA-N 359.179 3.670 0 1 FHAF COC(=O)[C@@]1(C)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586993244 VWOHIZWVCBMFOT-QHCPKHFHSA-N 373.408 3.820 0 1 FHAF Cc1c(Br)cnc2[nH]c(C[C@H]3OCCc4ccsc43)nc12 587036863 OQCVXZZMXJHMBC-LLVKDONJSA-N 364.268 3.947 0 1 FHAF Oc1ncnc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587109577 GHXQWRSSMYNHHZ-UHFFFAOYSA-N 362.233 3.687 0 1 FHAF CC(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587124064 LANBQIKNZXIANJ-RMLUDKJBSA-N 363.343 3.937 0 1 FHAF COc1cc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2cc1F 587157127 WNFNJQAVQWWFCI-UHFFFAOYSA-N 356.332 3.711 0 1 FHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(Cl)cc2[nH]1 587193939 JFCUINQBSMIBRW-CYBMUJFWSA-N 352.866 3.734 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(N)c(Br)c31)O2 587373385 USJAXVHPVOEEHO-SFHVURJKSA-N 373.250 3.729 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](COC(F)(F)F)(c1ccccc1)O2 587380859 BQLQILCLGXWUFS-QGZVFWFLSA-N 351.324 3.974 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C1)O2 587401630 URPIBXBLIZCUFE-NZCGUCNHSA-N 372.465 3.701 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(=O)C3CCOCC3)c1)O2 587415199 YTTBULBBIYMKPG-FQEVSTJZSA-N 365.429 3.893 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](C(=O)c1ccc(OCC)cc1)CC2=O 587483298 WMTKNICXPSDPHO-LJQANCHMSA-N 354.402 3.960 0 1 FHAF COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587567652 INVSGMFNPHGNQD-APWZRJJASA-N 367.332 3.638 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2[nH]1 587588367 KCPDSWWIFLFWGR-FXAWDEMLSA-N 358.353 3.971 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587792295 BIRPGKSGJCOGMG-ZMNCSTGQSA-N 370.262 3.681 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(CC(C(=O)O)C3)C2)N1 587827030 MUAAQCATMXPGAW-CHBNIXEVSA-N 368.246 3.593 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1CCCCCC1 587871969 GCCNYKRAXPTMDP-UHFFFAOYSA-N 359.445 3.994 0 1 FHAF CCc1ccc(C(=O)CCc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 587956478 DCIVXACQCKZPJK-UHFFFAOYSA-N 365.477 3.881 0 1 FHAF COc1cc([C@H]2NCCc3ccc(F)c(C)c32)cc(OC)c1OC(F)F 962376532 PTNRQMWDKIQHSO-QGZVFWFLSA-N 367.367 3.988 0 1 FHAF c1coc(CN2CCc3sccc3[C@@H]2Cc2nc3cccnc3[nH]2)c1 962704168 JCHJEXUXUVGSDC-INIZCTEOSA-N 350.447 3.955 0 1 FHAF Cc1cccc(Br)c1[C@]1(C)NCCc2nc3ccccn3c21 962983307 KWXOCHFRXOEXLT-SFHVURJKSA-N 356.267 3.814 0 1 FHAF O=C(NC1CCN(Cc2cccs2)CC1)c1ccc(Cl)nc1Cl 1772606865 WVPGXYXOCTVDHJ-UHFFFAOYSA-N 370.305 3.844 0 1 FHAF c1ccc2c(c1)C[C@@H]2CCN1CCN(c2cccc3c2OCCCO3)CC1 13743696 QGDRAGAYUUOYII-IBGZPJMESA-N 364.489 3.700 0 1 FHAF O=C(NCN1CCN(c2ccccc2Cl)CC1)c1cccc(Cl)c1 13762312 OFDQLTVLCXEIAI-UHFFFAOYSA-N 364.276 3.503 0 1 FHAF CNC(=O)c1cc2c(Oc3ccc(COCCOC)cc3)cncc2s1 13864451 BOOKJZATIDHCNY-UHFFFAOYSA-N 372.446 3.611 0 1 FHAF COc1cc2c(c3c1C[C@@H](O)[C@H](c1ccc(O)cc1)O3)CCC(C)(C)O2 14723956 SCBLRKVGVKFQKS-APWZRJJASA-N 356.418 3.542 0 1 FHAF biogenic CC(C)(Cc1ccc(O)cc1)NC[C@H](O)COc1cccc2ccccc12 26723661 JQYNQLAJWWYLBC-FQEVSTJZSA-N 365.473 3.896 0 1 FHAF C[C@H](CCO)[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 33821005 AQLBTYPFUGRFQI-KHLWDBHXSA-N 364.570 3.996 0 1 FHAF Cc1nc2ccccc2n1-c1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1 72122775 LHSIBDSSWQRITO-FQEVSTJZSA-N 374.488 3.644 0 1 FHAF CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCOC 82185220 ZRLVQYMXRBYTLK-UHFFFAOYSA-N 359.861 3.691 0 1 FHAF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H](O)[C@H]4N 84690134 XSHCISJNYGIKKQ-JZEQDFDBSA-N 363.542 3.651 0 1 FHAF C[C@@H](NC(=O)c1ccc([C@]2(C)CCSC(N)=N2)s1)c1ccccc1 96174271 ZBRHNTDGQMSNFS-XIKOKIGWSA-N 359.520 3.906 0 1 FHAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccccc3F)ccc12 96905949 OBQNTTSKLVGWBA-IBGZPJMESA-N 354.406 3.754 0 1 FHAF Oc1cc(O)c2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2cccc[n+]21 100722068 ADHWXDCGFHSEMV-SIKLNZKXSA-O 372.400 3.996 0 1 FHAF Cc1noc(C)c1Cn1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1 116674214 SMTFYGBRVPPZNT-UHFFFAOYSA-N 354.454 3.691 0 1 FHAF O=C1OC[C@@H](Cc2ccccc2)N1c1ccnc(NC2CCCCC2)n1 142139705 YPXUJFJLDBQEME-QGZVFWFLSA-N 352.438 3.789 0 1 FHAF O=C(O)c1ccnc(-n2nccc2O[C@H]2CCc3cc(Cl)ccc32)c1 146727811 NFVXMQNDOGMBRE-HNNXBMFYSA-N 355.781 3.685 0 1 FHAF C[C@@H](C1=CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C 238735776 FCLIIFLKCAQTGH-RTWOSTBJSA-N 361.570 3.847 0 1 FHAF O=S(=O)(/C=C/c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1 586925420 ZKHCTHCNFDEMDW-VOTSOKGWSA-N 354.218 3.709 0 1 FHAF Cc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586970420 ZQLZXXQKUAMRQP-UHFFFAOYSA-N 366.402 3.942 0 1 FHAF CS(=O)(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587022197 VTOSAZXEWZAGCH-UHFFFAOYSA-N 369.471 3.681 0 1 FHAF N=c1[nH]c2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc-2c(Cl)[nH]1 587052284 ZUYKPZMVXUSEIU-RITPCOANSA-N 354.628 3.948 0 1 FHAF O=C(CCc1nc2cc(Cl)c(Cl)nc2[nH]1)Nc1cccc(F)c1 587163710 UWPSCKKMBBMDDN-UHFFFAOYSA-N 353.184 3.975 0 1 FHAF COC(=O)c1ccc2[nH]cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2c1 587395990 HVZQGUBQCYQAKD-OAQYLSRUSA-N 364.401 3.726 0 1 FHAF COc1ccc(C)cc1[C@@]1(CCC(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587398310 FCUHQXAHCJYUIJ-OAQYLSRUSA-N 369.417 3.620 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(F)c1 587555691 RDINTLUTNJEHNZ-FXAWDEMLSA-N 352.317 3.940 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccccn12 587587574 OMWZQFAGURSTEA-WIYYLYMNSA-N 358.353 3.743 0 1 FHAF CCCC(=O)O[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591865 FJRNPPKVUYUYDR-XMLVGPMBSA-N 370.401 3.844 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccnn2C)N1 587761180 TUZDDVSICCSUOX-DPVXVKIDSA-N 364.262 3.785 0 1 FHAF Cc1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587774126 LPQZUKBWERGPEN-WNWIJWBNSA-N 364.262 3.927 0 1 FHAF Cc1[nH]c(=N)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587853354 QFXJDSLXZVCONU-KWKYVRJSSA-N 370.291 3.563 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(C)n1 587859205 COSDVDSFBFRLHT-UHFFFAOYSA-N 365.220 3.678 0 1 FHAF CCN(C)c1ccc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cn1 962569069 MCNWKUUIIKHJIL-JLTOFOAXSA-N 355.482 3.521 0 1 FHAF CCOC(=O)[C@H]1COC(C)(C)[C@]12NCCc1cccc(-c3ccccc3)c12 962670187 VFNIAHFBNQXTRP-XXBNENTESA-N 365.473 3.683 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@]2(CCCC23CCOCC3)N1)C(F)(F)F 962729865 KDEZOWSYTINEOU-QAPCUYQASA-N 353.384 3.508 0 1 FHAF Cc1nnc2sc(C(=O)N3C[C@@H](c4ccccc4)[C@@H]3C)c(N)c2c1C 1857753794 BLGSHGFWEVNFQT-GXTWGEPZSA-N 352.463 3.518 0 1 FHAF CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@@]5(CCC[C@@]12CC5)[C@H]43 2356340956 CEYYGKWFSIIYLP-LRSLUSHPSA-N 352.478 3.568 0 1 FHAF COc1ccc([C@@H]2N(C)c3ccccc3C(=O)NN2c2ccccc2)cc1 103189610 DQJIGAKCFBRQPK-JOCHJYFZSA-N 359.429 3.995 0 1 FHAF CC[C@]12CCCn3ccc(c31)-c1ccccc1N(CC(=O)O)C(=O)CC2 26273516 PIIOMKZKSZIMAZ-OAQYLSRUSA-N 352.434 3.808 0 1 FHAF C/C(=C\[C@H](O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(C)C 27883008 RGNJDHHFPNONLY-IUSWYIMGSA-N 354.531 3.605 0 1 FHAF CC(C)=CC[C@@](C)(O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O 27893482 MAHJYISXLQEIJP-FHQOYLMASA-N 354.531 3.749 0 1 FHAF C=C(c1ccccc1OC[C@@H](O)CNC(C)(C)C)n1cnc2ccccc21 33886616 HAAUBVPBGJLBEO-KRWDZBQOSA-N 365.477 3.683 0 1 FHAF Nc1ccccc1-c1nnc(C(=O)NCc2c(Cl)cccc2Cl)o1 42990151 MXXIVSMCXVWMGM-UHFFFAOYSA-N 363.204 3.556 0 1 FHAF aggregator CC(C)Oc1ccc2[nH]nc(-c3cc(N4CC[C@@H](CF)C4)ncn3)c2c1 225637298 PWDHUTBBFASNIM-ZDUSSCGKSA-N 355.417 3.603 0 1 FHAF CCN(CC)Cc1ccc(OCCNc2nc3ccccc3nc2N)cc1 82149996 GLCQRAIQXFEUAC-UHFFFAOYSA-N 365.481 3.545 0 1 FHAF C=Cc1ccccc1S(=O)(=O)NCCOc1ccc2ccccc2c1 220460999 JVWOJYSJVMQZDX-UHFFFAOYSA-N 353.443 3.840 0 1 FHAF COc1ccccc1-c1c(=O)ncn2nc(Sc3ccccc3)ccc12 84615289 QDEUPOJLZLICQE-UHFFFAOYSA-N 361.426 3.916 0 1 FHAF c1cncc(COc2cccc3ccc(-c4nnc5ccccn45)nc23)c1 96174996 UDUHUPMKTQPDJW-UHFFFAOYSA-N 353.385 3.919 0 1 FHAF Oc1ccc(C2(c3nc4cc(Br)ncc4[nH]3)CCOCC2)cc1 586914080 ZNVMITSGJCMGRE-UHFFFAOYSA-N 374.238 3.523 0 1 FHAF O=C(O)CCc1nc2cccc3c2c(c1CC(=O)c1cccs1)CC3 587358341 CJRMHDFUMNTKLL-UHFFFAOYSA-N 351.427 3.838 0 1 FHAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(Br)c(F)c2[nH]1 587239637 MHCVZNVBYYDSQE-UHFFFAOYSA-N 363.190 3.931 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)o2)N1 587828547 ODUYZFLUCGEZKI-WJWGPLDTSA-N 354.175 3.503 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(O)ccc12 587608573 LRNBVMYJVSVZIM-UGKGYDQZSA-N 360.365 3.901 0 1 FHAF COc1ccc(/C(=C\N(C)C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587386812 LBTYYKSLMKGGAH-KEWOFRHOSA-N 352.434 3.522 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C)c1Oc1cccnc1)O2 587391632 SQBXPRRYRVLZSJ-QGZVFWFLSA-N 364.405 3.513 0 1 FHAF Cc1noc([C@H]2CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)n1 586989462 JSMDFMAETPBRLI-AWEZNQCLSA-N 369.380 3.921 0 1 FHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cncc(Cl)c2[nH]1 586972990 LFKQGFULPLMMFJ-HNNXBMFYSA-N 360.870 3.722 0 1 FHAF COc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587728876 UCTYTMYPIWNCRR-GLEZIHRCSA-N 369.209 3.755 0 1 FHAF C[C@@H]1C[C@@]2(CN1C1CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343927 LFOLAUHCYNDAOX-YIKPVDIZSA-N 367.420 3.886 0 1 FHAF C[C@@]1(c2cccnc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568706 ISRPJUNVVYZCSX-JXFKEZNVSA-N 351.333 3.803 0 1 FHAF COc1cncc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587774027 LAXJONSEIUNIRE-BMLIUANNSA-N 365.246 3.790 0 1 FHAF COC(=O)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 586982953 SKNGDEDKVLYDEY-UHFFFAOYSA-N 359.179 3.592 0 1 FHAF COC(=O)[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587810548 URBRAHWNAUDCJU-GSDQYQHOSA-N 370.262 3.681 0 1 FHAF CC(C)N1CCN(CCCCCCOc2ccc3c(c2)NC(=O)CC3)CC1 1772632905 QQWBCCDHFNBKRY-UHFFFAOYSA-N 373.541 3.537 0 1 FHAF O[C@H]1CCCC[C@@H]1CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204415893 KQEMKPRNLPTVAS-PBHICJAKSA-N 365.399 3.803 0 1 FHAF CCC(=O)c1ccc(OCCCCN2CCN(c3cccnc3)CC2)cc1 1857566660 JHAFHGMYZQEGOI-UHFFFAOYSA-N 367.493 3.656 0 1 FHAF Cc1ccccc1N1CCCN(C(=O)CSCc2c(C)noc2C)CC1 1857604762 KMNOGSMBFPUBKK-UHFFFAOYSA-N 373.522 3.572 0 1 FHAF O=C(O)CCCCC(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 299838663 VTQVHWCZYLHCOW-UHFFFAOYSA-N 355.369 3.953 0 1 FHAF Cc1ccc2c(c1)c(C1=C(c3cn(C)c4ccccc34)C(=O)NC1=O)cn2C 13447735 VEDDMJVAGLMJHD-UHFFFAOYSA-N 369.424 3.546 0 1 FHAF CC[C@@H](C)OC(=O)N1c2cc(OC)ccc2NC(=S)[C@@H]1CSC 13474536 UOHSDUSTTSLJDN-YGRLFVJLSA-N 354.497 3.921 0 1 FHAF CN1CCN(c2nc(-c3cc4ccccc4o3)cc(-c3cccn3C)n2)CC1 13808401 FQSQWQZKINICEB-UHFFFAOYSA-N 373.460 3.647 0 1 FHAF COc1ccccc1[C@H]1CC(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C1 27085330 AAMVGFOFHMQYFX-LLVKDONJSA-N 369.804 3.814 0 1 FHAF NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1 28826396 FZBJOVYOONJNIG-UHFFFAOYSA-N 361.445 3.695 0 1 FHAF in-vivo Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](C)C(=O)O)cn1 34717799 XKLUVXAVDPISGS-AWEZNQCLSA-N 366.417 3.930 0 1 FHAF CCCC[C@H](CC)C(=O)OC[C@]1(CO)C/C(=C/c2ccccc2)C(=O)O1 40423508 VCZRUDXIQKKRLT-RHZPECNXSA-N 360.450 3.508 0 1 FHAF O=C(CCCCc1cccs1)Nc1ccc2c(c1)CO[C@H](C(=O)O)C2 43018429 NFXYGJNCWVDKLI-KRWDZBQOSA-N 359.447 3.626 0 1 FHAF O=[N+]([O-])/C(=C\c1cccs1)C1=NCCCN1Cc1ccc(Cl)nc1 59085820 PEVMXHJXYRBKST-ZROIWOOFSA-N 362.842 3.719 0 1 FHAF COc1ccc(-n2ncc([C@@H](C)NCc3cccc4nonc34)c2C)cc1 59418147 UAMVAOMGJDBMOR-CYBMUJFWSA-N 363.421 3.576 0 1 FHAF CCOc1cc2c(cc1OCC)C(c1ccc(Cl)cc1)=NNC(=O)C2 73157707 JTKCQABINWMTBB-UHFFFAOYSA-N 358.825 3.562 0 1 FHAF CC(C)(C)c1ccc(CNC(=O)Cc2ccc(OCCN)c(Cl)c2)cc1 84688366 NODMHWDONNZCSI-UHFFFAOYSA-N 374.912 3.834 0 1 FHAF CCn1cc(-c2ccccc2)nc1C(=O)c1cc(OC)c(OC)c(OC)c1 95581585 AUPSPDMNTHSJGK-UHFFFAOYSA-N 366.417 3.827 0 1 FHAF O=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1cc(F)ccc12 100018499 GVYFAAWWIWIVAE-UHFFFAOYSA-N 359.307 3.765 0 1 FHAF C[C@H]1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cccc(F)c1 168079302 WKOIRAKZQGBWCW-HNNXBMFYSA-N 365.408 3.646 0 1 FHAF O=C1CS[C@@H](c2c(F)cccc2Cl)N1C(=O)Nc1ccncc1 169351028 ITUIEUDJELYFJN-AWEZNQCLSA-N 351.790 3.680 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCCc4ccccc4)ncc23)ccn1 205437030 SXHJFLZPXBCHPC-UHFFFAOYSA-N 372.432 3.693 0 1 FHAF CC(C)(NC(=O)c1nn(-c2cccnc2)c2c1C[C@H]1C[C@@H]21)c1ccccc1 299834447 LKRBRULKSWMJDK-RHSMWYFYSA-N 358.445 3.592 0 1 FHAF Fc1cc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2cc1-n1cccn1 587035549 SBDXUNMDOPXWRU-INIZCTEOSA-N 354.410 3.806 0 1 FHAF CCOC(=O)[C@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096087 GGKYXSJHKADUPL-LJQANCHMSA-N 373.408 3.990 0 1 FHAF CCOC(=O)[C@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587399707 LDBQFBXDKMKPLS-NYHFZMIOSA-N 365.429 3.878 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nc(C)cc(C)n1)(C1CC1)O2 587407575 ATPJCUOKRJSFDL-HXUWFJFHSA-N 369.490 3.890 0 1 FHAF CCOC(=O)[C@H]1CCCCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442961 RWVVGXJYFXAARM-WHSLLNHNSA-N 358.434 3.715 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c3c(c1)OCO3)CC2=O 587486628 MANANFQUWVPQHT-INIZCTEOSA-N 356.374 3.789 0 1 FHAF COC(=O)c1ccc(N)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587507970 DWISOXPRSDOTEW-LJQANCHMSA-N 351.402 3.641 0 1 FHAF COc1cc(C)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587523199 HGAXEZDUWNAIFH-JOCHJYFZSA-N 363.413 3.695 0 1 FHAF COc1cc(C)ccc1OCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587564711 WLYXPDMZGZFFHX-UHFFFAOYSA-N 372.734 3.873 0 1 FHAF C[C@H](N)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575840 DQLWCDLGBCNROV-DVXDUOKCSA-N 361.397 3.597 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn2ccccc12 587589493 XBUCJLHSROKZTP-RXVVDRJESA-N 358.353 3.743 0 1 FHAF CC(C)N1C[C@@H](C)[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587759614 HBKIOSLBRZFUFF-QFSBIZTOSA-N 355.295 3.678 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](CC(=O)O)[C@H]2C)N1 587828013 NKDINPLKMFEXPO-RGXAHSFDSA-N 370.262 3.839 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1CCO[C@@H]1C2(C)C 587838215 MUVVWVGKALGQHQ-FWQHHWEHSA-N 354.263 3.763 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(OC)c1F 587870501 ATOUKUYSPWEILI-UHFFFAOYSA-N 358.344 3.924 0 1 FHAF COc1ccc(Nc2nnc(Cn3c(C)nc4ccccc43)s2)cc1 653834525 HZLOPJLAERAKKH-UHFFFAOYSA-N 351.435 3.997 0 1 FHAF Fc1ccc(NC2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772592855 WDSQTCWUUXVUNZ-UHFFFAOYSA-N 350.401 3.883 0 1 FHAF O=C(/C=C/c1ccccc1)N[C@H](NC(=S)Nc1ccccc1)C1CC1 1772648198 VIGHMHHWCWOTJS-FIIODCPWSA-N 351.475 3.539 0 1 FHAF CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1NC[C@@H]1CCCO1 20103850 RMTQCPQEBCTRBY-NSHDSACASA-N 364.829 3.664 0 3 FHAF COc1cc(OC)c2c(c1)C(C)(C)C1=NCCc3cc4c(c-2c31)OCO4 15264157 CHJGVNKIEZGJIX-UHFFFAOYSA-N 351.402 3.736 0 1 FHAF biogenic CNC(=O)c1cccc(NC(=O)Cc2cccc(OCc3ccccc3)c2)c1 27517915 HWHRRTLJIJTZGX-UHFFFAOYSA-N 374.440 3.806 0 1 FHAF Cc1cc2oc(=O)c3c(c2cc1C)CCN(C[C@H](C)N1CCCCC1)C3 27733013 HRSJOLUDPKCDLB-KRWDZBQOSA-N 354.494 3.642 0 1 FHAF O=C(CCNc1ccnc(NCCc2ccccc2)n1)Nc1ccccc1 45228169 QCKWPVCFESLPPR-UHFFFAOYSA-N 361.449 3.572 0 1 FHAF COC(=O)C1=C(C)O[P@](=O)(OC)CC[C@H]1COCc1ccccc1 45389817 DACCJWKHNMNUQB-IZHWHUGBSA-N 354.339 3.526 0 1 FHAF CCN(CC)c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1 82066964 GMMOORZRTHZMBF-UHFFFAOYSA-N 369.425 3.724 0 1 FHAF CCCc1ccccc1OS(=O)(=O)c1cccc(NC(=O)NCC)c1 95555760 LLCZYJNPIXXRQX-UHFFFAOYSA-N 362.451 3.548 0 1 FHAF CCCN(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O 95561139 WBSLVXHTQKCPCU-UHFFFAOYSA-N 373.493 3.956 0 1 FHAF O=C(Nc1nc(-c2ccc(Cl)cc2)co1)C1=NNC[C@@H]1c1ccccc1 95561205 FPGDERGRUOHTAR-OAHLLOKOSA-N 366.808 3.677 0 1 FHAF O=C(Nc1ccccn1)[C@@H]1C(=O)N2c3ccccc3Sc3cccc1c32 100025165 MMESJFQJUFHRPE-QGZVFWFLSA-N 359.410 3.947 0 1 FHAF CC(C)COC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl 103272164 YNRPMFAIJSYYGT-UHFFFAOYSA-N 361.825 3.897 0 1 FHAF CC(C)CC(=O)NCCc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165885347 WGXOGZXFNPPORP-UHFFFAOYSA-N 365.477 3.939 0 1 FHAF CN(C)CCN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 169356371 TZYDTPVLMWSHME-VGSLKJDUSA-N 374.569 3.658 0 1 FHAF OC[C@@H]1CCCC[C@@H]1NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204415051 YUHXJANLWKXXEU-YOEHRIQHSA-N 365.399 3.803 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 586935994 KZPKCKQMIYLHMK-NSHDSACASA-N 363.870 3.960 0 1 FHAF CC(=O)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984301 PSBQSWKUMGAFNL-AWEZNQCLSA-N 358.239 3.771 0 1 FHAF C[C@H]1C[C@@H](C(=O)O)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991718 VUUVTZNLDLRQNF-WDEREUQCSA-N 359.381 3.902 0 1 FHAF OCCc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017668 OLJWRNGFRNPXMC-UHFFFAOYSA-N 363.442 3.823 0 1 FHAF N[C@H](Cc1cscn1)c1nc2cc(Br)cc(Cl)c2[nH]1 587028602 UDBUCWOPILTANY-SECBINFHSA-N 357.664 3.678 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c([C@H](O)c3ccccc3Cl)nc2c1 587057519 AQWYXCMYJVZPLB-CQSZACIVSA-N 351.189 3.738 0 1 FHAF CC(C)[C@H](N)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587259512 SXQMRHVWJNIDDM-VIFPVBQESA-N 352.154 3.880 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccncc1NC(=O)C(C)(C)C)O2 587391022 RFHXLRMMEUONGF-QGZVFWFLSA-N 353.422 3.663 0 1 FHAF CCCOc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454937 ZORABKGHIXMTSB-VGOFRKELSA-N 366.413 3.909 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OCC)c(C)[nH]1)CC2=O 587480128 CIOFGNFHUMSWBN-GOSISDBHSA-N 357.406 3.864 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccncn3)s1)CC2=O 587494476 KEDYCXFRMLLHAQ-INIZCTEOSA-N 367.430 3.965 0 1 FHAF C[C@]1(c2cc(Cl)ncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553160 UCXOYBGAECKCDK-QFBILLFUSA-N 368.776 3.713 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccn2nccc2c1 587588925 VIZNHNHMQKXGMM-RXVVDRJESA-N 358.353 3.743 0 1 FHAF CCOC(=O)C[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800487 XZQHQRPRDUPSRS-PIGZYNQJSA-N 372.278 3.927 0 1 FHAF COC(=O)C1=C[C@@]2(CCC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587808722 PDBGRYKUKUQOQJ-BMLIUANNSA-N 368.246 3.601 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)c3ccccc32)N1 587822790 MKPWFBUEDUDGQA-MGNBDDOMSA-N 360.226 3.952 0 1 FHAF O=C(O)Cc1ccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587962152 SZJDDPSZDQYUPC-UHFFFAOYSA-N 350.296 3.679 0 1 FHAF O=C(NC(=O)c1cc(F)ccc1O)NC1c2ccccc2-c2ccccc21 653782586 NARGBBBLUKCAQD-UHFFFAOYSA-N 362.360 3.741 0 1 FHAF COc1cccc2cc3c(nc12)[C@H](c1cn2cc(Cl)ccc2n1)NCC3 963039332 USZNYLGMEGFHFT-FQEVSTJZSA-N 364.836 3.780 0 1 FHAF O=C1[C@H](N2CCC(c3ccc(O)c(F)c3)CC2)CCN1Cc1ccccc1 1772605968 FGYWBVVJUUWCLN-HXUWFJFHSA-N 368.452 3.512 0 1 FHAF COc1nn2cc(-c3cc4cc(OC(F)(F)F)ccc4n3C)nc2s1 1772629879 WOULNLNINBZUOU-UHFFFAOYSA-N 368.340 3.857 0 1 FHAF COc1cccc(Cc2csc(N[C@H](Cc3ccccc3)C(=O)O)n2)c1 1857646506 RSBDPHKKVYGLHQ-GOSISDBHSA-N 368.458 3.850 0 1 FHAF CCc1cnc(Nc2ccc(C(N)=O)cc2)nc1N(C)C1CCCCC1 1911579902 WQJZGUODVAPUKD-UHFFFAOYSA-N 353.470 3.650 0 1 FHAF CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)c1 769298 ZHOFIIWDXHXMFA-HKUYNNGSSA-N 372.852 3.919 0 1 FHAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 4041413 OMSVTEYNWPVZRD-CTNGQTDRSA-N 365.477 3.761 0 1 FHAF COc1cccc2c1-c1ccc3c(c1[C@H](C(N)=O)O2)C(C)=CC(C)(C)N3 13470746 NAJLTATXAXTVKB-LJQANCHMSA-N 350.418 3.888 0 1 FHAF CCOc1ccc(NC(=O)c2ccc(OC)c(CCCN(C)C)c2)cc1 13737807 IXAAYRLBFVQNCW-UHFFFAOYSA-N 356.466 3.840 0 1 FHAF COc1c2c(c(OC)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2 14980551 JDJJGLJZXRPAAL-UHFFFAOYSA-N 352.365 3.547 0 1 FHAF O=Cc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@H]2c1cc(O)cc(O)c1 15262175 OQPLDSDBGSRXSC-TZIWHRDSSA-N 364.353 3.587 0 1 FHAF biogenic COc1cc(Nc2nc(-c3cc(OC)ccc3OC)no2)cc(OC)c1 15770802 XIRIMKMUUNTTOX-UHFFFAOYSA-N 357.366 3.515 0 1 FHAF c1cncc([C@@H]2c3[nH]c4ccccc4c3CCN2CCN2CCCCC2)c1 22913119 DERUGECTQBSXDP-HSZRJFAPSA-N 360.505 3.996 0 1 FHAF Oc1cccc2c1C[C@H]1CCCN(C/C=C/I)[C@@H]1C2 27413660 VLADFNAJLNALFZ-UAXQYSOPSA-N 369.246 3.520 0 1 FHAF CCOC1(OCC)[C@@H]2c3ccccc3[C@@H]([n+]3cccc(OC)c32)C1(C)C 27441082 MPNUBKWLWLDCCY-UYAOXDASSA-N 354.470 3.827 0 1 FHAF COc1cc([C@@H]2CN=C(c3ccc4ncccc4c3)O2)cc(OC)c1OC 27524653 FJNVMPCZJQPCKX-IBGZPJMESA-N 364.401 3.779 0 1 FHAF CN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1cccc(Br)c1 28256906 WCAACIAMWBEUCK-DOTOQJQBSA-N 351.288 3.586 0 1 FHAF C=CCc1cc(OC)c2c(c1)[C@H](CO)[C@@H](c1ccc(OC)c(OC)c1)O2 34259562 LVZKPZQWUGCSQU-OXJNMPFZSA-N 356.418 3.651 0 1 FHAF biogenic Nc1cc(F)c(Sc2nncs2)cc1C(=O)Nc1cccc(F)c1 45349623 FVKVMVBCHSSQQC-UHFFFAOYSA-N 364.402 3.802 0 1 FHAF CCCN1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1cc2c(cc1-3)OCO2 72142498 HNYVLCPPOSNDQD-INIZCTEOSA-N 367.445 3.965 0 1 FHAF Cc1cccc(-c2noc([C@@H]3CCN3C(=O)c3ccc(F)c(F)c3)n2)c1 95575397 LDBNOIUPISWKPG-INIZCTEOSA-N 355.344 3.910 0 1 FHAF COc1ccc(-c2cnc3c(-c4cccc5nn(C)cc45)cnn3c2)cc1 96923890 MBWHTUUDVMOKFJ-UHFFFAOYSA-N 355.401 3.959 0 1 FHAF C[C@@H]1CC[C@H](c2noc(-c3ccc(F)cn3)n2)CN1C(=O)c1ccccc1 96933578 AZKQIHSAMULRNP-HIFRSBDPSA-N 366.396 3.679 0 1 FHAF CC1(C)COCN1C(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1 146292486 YBUFHINHMWCZOQ-UHFFFAOYSA-N 354.425 3.897 0 1 FHAF COc1ccc(NC(=O)[C@@H]2C(C)=Nc3[nH]ncc3[C@H]2c2cccs2)cc1 169724246 YDSGZVVHIAMSTN-SJORKVTESA-N 366.446 3.973 0 1 FHAF Cc1ccc(F)c(CNc2ccc(C(=O)Nc3onc(C)c3C)nn2)c1F 207423295 YBFQIUHSSDNHNW-UHFFFAOYSA-N 373.363 3.532 0 1 FHAF COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O)O[C@@H](C)C4(C)C)cc1 238788894 FGSFNCIACIOWMJ-JTQLQIEISA-N 368.385 3.938 0 1 FHAF COc1cc(CCCC/C=C/C(=O)N2CCCCC2)cc(OC)c1OC 299820670 DHDYTRIAYGKQKK-XYOKQWHBSA-N 361.482 3.994 0 1 FHAF CC(C)COc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2cccs2)cc1 299870150 VXWCSZFDDQAUCH-BZSNNMDCSA-N 359.491 3.736 0 1 FHAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 586922027 KQXNDSNKLXDVLY-UHFFFAOYSA-N 370.352 3.922 0 1 FHAF Cc1cc(Br)ccc1-n1cccc1-c1nc2ncncc2[nH]1 586981639 RQXPHNAVEQEUKI-UHFFFAOYSA-N 354.211 3.882 0 1 FHAF CCCc1sc(=N)[nH]c1-c1nc2ccc(Br)c(O)c2[nH]1 587013360 MGSNULDSGDCQPM-UHFFFAOYSA-N 353.245 3.520 0 1 FHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587052953 VLZDWZQYQABADI-SECBINFHSA-N 356.735 3.578 0 1 FHAF O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)ncc(F)c2[nH]1 587069114 CJIVIBXPAUYGBT-UHFFFAOYSA-N 368.593 3.938 0 1 FHAF C[C@]12CCC(=O)C[C@@]1(O)Cc1c2nc2cccc3c2c1-c1ccccc1C3=O 587207268 PPDZBDIFWMPZGP-DNQXCXABSA-N 369.420 3.744 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1CCN(Cc3ccccc3)C1)O2 587395476 MQEHDCQMEBJXHU-VGSWGCGISA-N 350.462 3.823 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@@H](C)C(=O)OCC)CC2=O 587470908 MVGZBIUWYUATHO-ORAYPTAESA-N 371.433 3.977 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc4c(cc31)OCO4)CC2=O 587486577 LUAIQUNUWNYXBF-OAQYLSRUSA-N 352.386 3.880 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CF)n1 587557448 RUYXZJMNIKEWMC-YLJYHZDGSA-N 351.333 3.960 0 1 FHAF CC(C)N1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587593193 JYCXROQCMDPJCC-GHTZIAJQSA-N 353.418 3.597 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn3ccnc3c2)N1 587774326 MLOBBYNTMCJBNN-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OCCO3 587926093 HNJBHDKIZMNSIQ-ZDUSSCGKSA-N 354.406 3.893 0 1 FHAF COc1ccc(/C=C\Cc2nc3cc(Br)ncc3[nH]2)c(OC)c1 587928439 CMWNNVWJAZAJPB-ARJAWSKDSA-N 374.238 3.994 0 1 FHAF Cc1ccc(-c2cc(O)n(-c3n[nH]c(-c4ccccc4F)n3)c2O)cc1 587946662 VKZHJNDPBPWAJI-UHFFFAOYSA-N 350.353 3.788 0 1 FHAF COc1ccc(Cl)c2c1CCN[C@@]2(C)CC(=O)Nc1ccc(F)cc1 963269277 HOSQWFCTLICWLI-IBGZPJMESA-N 362.832 3.877 0 1 FHAF COc1c(O)cc(O)c2c(=O)cc(-c3cccc(Br)c3)oc12 1857604731 DHYSSSKFDPWLPP-UHFFFAOYSA-N 363.163 3.642 0 1 FHAF C[C@H]1C(=O)N(C)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2N1C1CC1 1857754764 GWPQTAAOAFIPGA-LBPRGKRZSA-N 369.852 3.926 0 1 FHAF C[C@H]1CCCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857762564 NLRANIOVJBCKFV-BBRMVZONSA-N 372.415 3.692 0 1 FHAF O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccon1 1911585527 BWBAKERBSYMJIO-UHFFFAOYSA-N 374.187 3.943 0 1 FHAF CC1=CC(C)=CN(CC(=O)c2ccc(I)cc2)[CH]1 2356844831 ALIOJLDEJXZIPY-UHFFFAOYSA-N 352.195 3.801 0 1 FHAF COC(=O)c1cccc(CN2C(=O)[C@H](C)Sc3ccc(C(C)=O)cc32)c1 61928952 MBJLQXHTDCEMMD-ZDUSSCGKSA-N 369.442 3.703 0 3 FHAF COc1ccccc1[C@@H](OC(=O)c1ccco1)C(=O)NC1CCCCC1 1381028 OSKVZDFARNSMFC-GOSISDBHSA-N 357.406 3.635 0 3 FHAF CCc1ccc(-n2c(C)nc3cc(C(=O)NCCCOC)ccc32)cc1 3025461 BTQMSXUVFVHPQZ-UHFFFAOYSA-N 351.450 3.663 0 1 FHAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215799 AOBKGJUWHPBGOH-UDTPNQRGSA-N 364.486 3.817 0 1 FHAF CN(C(=O)Cn1c(=O)[nH]c2ccc(-c3ccccc3)cc21)c1ccccc1 59824254 ORIMXDOWDCMRCI-UHFFFAOYSA-N 357.413 3.660 0 1 FHAF Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1C 117586066 HJHPZFNJKCYBMX-UHFFFAOYSA-N 353.466 3.815 0 1 FHAF COc1cc(-c2nnsc2-c2ccc3c(c2)OCO3)cc(OC)c1OC 28820895 WEPITKPUNHSFPA-UHFFFAOYSA-N 372.402 3.627 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccccc1OC 100018294 YCQMWCZLBBEGAF-BDBAMQCISA-N 359.422 3.897 0 1 FHAF COc1ccc(-c2ccccc2)cc1NC(=O)[C@]1(C)CCN1C(=O)C(C)C 61906028 SXJPMPCNIGOPKY-QFIPXVFZSA-N 366.461 3.948 0 3 FHAF C[C@H](O)[C@@H](C)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103819 FDCZUAWLCBAHKC-XFQAVAEZSA-N 373.928 3.648 0 1 FHAF C=CC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 1911572523 ABMNQTXKLDIPPS-SFHVURJKSA-N 371.234 3.505 0 1 FHAF CC1(C)CCC(Oc2cc(F)c(CNC(=O)[C@@H]3CCCN3)cc2F)CC1 49071382 GBQTUUZWSMRGHG-KRWDZBQOSA-N 366.452 3.681 0 1 FHAF COc1ccc2c(c1OC(C)=O)OCc1c-2oc2c(OC)c(OC)ccc12 14763565 RKVPJUPKPICZNC-UHFFFAOYSA-N 370.357 3.943 0 1 FHAF biogenic COc1cccc(-c2ccc3cccc4c3c2C(=O)N(CCN(C)C)C4=O)c1 96939250 KGHDCOAISNPDHA-UHFFFAOYSA-N 374.440 3.673 0 1 FHAF CO[C@@H](COC(=O)C1=C(c2ccccc2)CCN(C)C1)c1ccccc1 95593837 AEJZEJNDBGAPHB-NRFANRHFSA-N 351.446 3.707 0 1 FHAF CCOC(=O)/C=C/c1cc(Cl)ccc1OC(=O)c1nc(C)c(C)nc1C 473135866 URKIVZVHEUSQPY-RMKNXTFCSA-N 374.824 3.851 0 1 FHAF CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(-c3ccco3)nc12 299835265 XESJVEWZUYGSHL-UHFFFAOYSA-N 369.425 3.553 0 1 FHAF O=C(Nc1ccc(N2CCC(C(=O)O)CC2)cc1)c1cc2ccccc2[nH]1 653837663 MILOZHHWVMMMME-UHFFFAOYSA-N 363.417 3.721 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)C=C2Cl)N1 587703103 FTNBCIVZQMVJJY-BJOHPYRUSA-N 357.654 3.857 0 1 FHAF COC(C)(OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345380 FHROYOUJSQGEPB-HKUYNNGSSA-N 360.381 3.658 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068349 SCPHRFLTIYKWKC-UHFFFAOYSA-N 372.837 3.677 0 1 FHAF C[C@H](NC(=O)OC(C)(C)C)c1nc2cccc3c2c(c1CCCO)CC3 587210713 FDRABAROZUDDCH-ZDUSSCGKSA-N 356.466 3.844 0 1 FHAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(F)cnc(Cl)c2[nH]1 587065556 UHAQCCUAYWGOLU-UHFFFAOYSA-N 370.167 3.804 0 1 FHAF C[C@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)N(C)C 587190392 HSUIQPFEOYLZMG-SSDOTTSWSA-N 366.181 3.717 0 1 FHAF CCC(=O)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400305 QJPRUGMFEUBVQH-QGZVFWFLSA-N 355.390 3.608 0 1 FHAF CS(=O)(=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085342 PMIJJTQVZMYCAC-UHFFFAOYSA-N 357.822 3.835 0 1 FHAF CC(=O)OC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587791177 IUZXOYRHKIWRLV-DYZYQPBXSA-N 372.278 3.927 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c(C)c1C(=O)OC)CC2=O 587482781 KFZMLMJWOSCFGT-MRXNPFEDSA-N 357.406 3.783 0 1 FHAF Cc1nc2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c2cc1Br 586905566 UFKYTWSHWPTASA-NSHDSACASA-N 362.227 3.967 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccccc1)([C@@H]1CCCNC1)O2 587398891 GGPOWUPEBUANFA-WZONZLPQSA-N 364.489 3.914 0 1 FHAF CCn1nccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587761153 SQQPRUZGUKLIGK-QFYYESIMSA-N 352.251 3.602 0 1 FHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc(F)ccn2)N1 963189556 WYOAOPOACZWYIV-BXUZGUMPSA-N 374.721 3.581 0 1 FHAF CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(Cl)c12 1772582066 LNRVNTAYHQSLPM-SNVBAGLBSA-N 358.833 3.926 0 1 FHAF CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc2nc(C3CC3)oc2c1 12316791 CXCOWZVWUDVIKH-QGZVFWFLSA-N 352.438 3.746 0 3 FHAF CNCCc1ccc(Oc2ccc(O)cc2)c(I)c1 13681070 SXXZXNBIOFFYGG-UHFFFAOYSA-N 369.202 3.551 0 1 FHAF CCN(CC)c1ccccc1C[S@](=O)c1nccn1-c1ncccc1C 13746186 YPROIXTUSADDCZ-AREMUKBSSA-N 368.506 3.730 0 1 FHAF C=CC(=O)Nc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 13797508 LBTKBOXSMBAAAQ-UHFFFAOYSA-N 370.210 3.655 0 1 FHAF CN1[C@H]2CC[C@@H](OC(=O)[C@](O)(c3ccccc3)C3CCCCC3)[C@H]1CC2 169336858 OKUUPHMNOPNUDM-VMBXEPDQSA-N 357.494 3.623 0 1 FHAF CCC(CC)(NC(=O)c1ccc(C)c(-c2cccc(Cl)c2)n1)C(=O)NC 206685281 TVKBISAMPHOPDL-UHFFFAOYSA-N 373.884 3.745 0 1 FHAF Cc1ccc2c([C@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)cc(=O)oc2c1 1857749050 WNXJHXISOKDIOI-OAHLLOKOSA-N 374.348 3.649 0 1 FHAF CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCCC1 1341062 YSWNKYJWULCQJI-UHFFFAOYSA-N 366.465 3.885 0 3 FHAF FC(F)(F)C12C3(C(F)(F)F)[C@@]45C=C[C@]1(CC[C@@]21C=C[C@@]3(CC4)O1)O5 105479887 KDYYIGLVOYNXIM-QHMRNEKISA-N 350.258 3.827 0 1 FHAF C[C@@H](NC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@@H]21)c1ccccc1 28466519 GDJCEUYIQJRPFO-SIXWZSSISA-N 352.434 3.921 0 1 FHAF COc1cc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc(OC)c1 28639495 QRVGBTGBMIUBQJ-SFHVURJKSA-N 366.465 3.657 0 1 FHAF N=C(N)c1ccc2cc(CCCc3cc4ccc(C(=N)N)cc4o3)oc2c1 28870109 FLRGHMCYSRAENA-UHFFFAOYSA-N 360.417 3.922 0 1 FHAF COc1cc([C@H]2CN=C(c3ccc4cc(C)cn4c3)O2)cc(OC)c1OC 27524217 LCPHMZROSQWADC-LJQANCHMSA-N 366.417 3.792 0 1 FHAF CC=C1CN2CCc3c4n(c5ccccc35)[C@@H](C(=O)OC)[C@@]1(C)C[C@]42C 2356562360 RHSHJTJNMKANKY-ILWGZMRPSA-N 350.462 3.799 0 1 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@@H](C2)[C@H]1[C@@H](C)CC(=O)C3 29310986 VDSHRIABCYXDCJ-FDMHNHSTSA-N 353.506 3.979 0 1 FHAF Cn1nnnc1Sc1ncnc2scc(-c3cc4ccccc4o3)c12 36380211 DZXJKBGGMPENFM-UHFFFAOYSA-N 366.431 3.779 0 3 FHAF Nc1ncc(Cl)nc1CNC(=S)Nc1ccc(Cl)c(Cl)c1 71295915 VLFWNTUMLQMMBV-UHFFFAOYSA-N 362.673 3.506 0 1 FHAF Brc1ccccc1-c1nc(CNCCc2ccccn2)co1 72184251 JVPWMAPKIFJSIC-UHFFFAOYSA-N 358.239 3.831 0 1 FHAF Fc1cccc([C@H](Cc2ccccc2OC(F)(F)F)N2CCNCC2)c1 49037074 LRKGVRWKYSKWQW-KRWDZBQOSA-N 368.374 3.913 0 1 FHAF in-vitro CN1C/C=C\COCc2ccc(o2)-c2ccnc(n2)Nc2cccc(c2)C1 137303052 NAMNDYOCPPYNFK-IHWYPQMZSA-N 362.433 3.998 0 1 FHAF COc1cc(C(=O)c2csc(-c3ccc(N)cc3)n2)cc(OC)c1OC 40897096 OZVQTPZSBXLFRT-UHFFFAOYSA-N 370.430 3.649 0 1 FHAF COc1ccc(CCC(O)CCc2ccc(OC)c(OC)c2)cc1OC 45393674 WVXYUIOLIYNQAB-UHFFFAOYSA-N 360.450 3.647 0 1 FHAF O=C1[C@@H]2[C@@H]3[C@@H]4[C@H](OCc5ccccc5)[C@H]5[C@H]3[C@@H](OCc3ccccc3)[C@@H]2[C@@H]5[C@@H]14 195411903 QFZSTWQCQZIKSY-UDMINVPJSA-N 372.464 3.724 0 1 FHAF c1ccc([C@@H]2C[C@@]3(N4CCOCC4)CCN[C@H]2[C@@H](c2ccccc2)C3)cc1 299853520 MAHVMGJRFORRLW-NVPYSNMXSA-N 362.517 3.781 0 1 FHAF COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650145 YNJBAKPYSQUSNT-UHFFFAOYSA-N 363.822 3.678 0 1 FHAF CCCN1C(=O)[C@](O)(Cc2cc3c4c(cccc4n2)CC3)c2ccccc21 587211911 JDBMTYLHQICLTL-QHCPKHFHSA-N 358.441 3.520 0 1 FHAF Cn1cc(-c2ncc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)s2)cn1 587021552 LKHWPQJGUUWQCU-UHFFFAOYSA-N 365.340 3.986 0 1 FHAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587238619 FGDGQQYNBJWBGV-UHFFFAOYSA-N 372.432 3.860 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)CC1(F)F)O2 587383263 ZRYYNTLJYXYSEL-HXUWFJFHSA-N 372.415 3.822 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(N)=O)cc1)CC2=O 587467649 BKVVODVRIQJGAR-FQEVSTJZSA-N 354.406 3.716 0 1 FHAF O=C(O)Cc1ccc(Cc2nc3ccc(Br)c(F)c3[nH]2)cc1 587960487 CWFMMXVDAILEKF-UHFFFAOYSA-N 363.186 3.682 0 1 FHAF Cc1c(-c2nc3c(Cl)ccnc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074046 PMEXDCHVTNDPIH-UHFFFAOYSA-N 359.220 3.880 0 1 FHAF COC(=O)c1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cn1 587052471 BSODGTACZXFOGP-UHFFFAOYSA-N 352.781 3.856 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CSCCSC2)N1 587855779 JXEJETVAQTYOEU-VIFPVBQESA-N 362.333 3.798 0 1 FHAF Cc1[nH]c2cc(F)ccc2c1-n1ncc(I)c1C 587634961 WLDJZISTVZIXSE-UHFFFAOYSA-N 355.154 3.714 0 1 FHAF CCS(=O)(=O)c1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 586922445 MXSFRVFTKMEXBL-UHFFFAOYSA-N 356.234 3.725 0 1 FHAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C(C)(C)C)cccc41)[C@@H](C2)C3=O 587442454 XBYOEZBNVFKOGY-NYHFZMIOSA-N 363.413 3.588 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(F)c(F)c1)CC2=O 587465087 ANFNPNQKHLTICL-LJQANCHMSA-N 362.328 3.568 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ncc1O 587550875 CQJHYCOEFHGUEH-LPHOPBHVSA-N 369.760 3.849 0 1 FHAF CCCOc1cccc(Cc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)c1 587778758 OUZCDAXJJXQFLC-UHFFFAOYSA-N 354.406 3.738 0 1 FHAF COc1cc2c3c(c1)O[C@@H]([C@@H](C)c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587442134 KCYINSMDSWNFBP-XTNUZHGASA-N 354.402 3.632 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)o2)N1 587758103 WZQFOTCJUOXDCJ-JDNHERCYSA-N 353.235 3.871 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1Cl)[C@@H](C2)C3=O 587421934 OKRZLQRLXRRZIV-BUXKBTBVSA-N 360.793 3.855 0 1 FHAF COc1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1CO 962703501 MOAJORYIAFDQDX-KKSFZXQISA-N 373.493 3.780 0 1 FHAF Fc1ccc2c(c1)C[C@@H]1CCCN1C21CCN(Cc2ccccn2)CC1 963096031 FLBVXXCUGYVZCK-FQEVSTJZSA-N 351.469 3.733 0 1 FHAF CN1Cc2c(C3=CCNCC3)[nH]c3nccc(c23)-c2cc(F)c(F)cc21 1772587396 OSVIOYVYZCSILN-UHFFFAOYSA-N 352.388 3.835 0 1 FHAF O=C(N[C@@H]1CCc2ccccc21)[C@@H]1CC(Cc2ccccc2Cl)=NO1 14988874 WULZGBSJUQZIHY-MOPGFXCFSA-N 354.837 3.831 0 1 FHAF CC(C)n1nc(CN2CCOCC2)cc1-c1ccc(C(F)(F)F)cc1 1857534922 JBVKYFPZEDHCGX-UHFFFAOYSA-N 353.388 3.982 0 1 FHAF Cc1csc([C@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)c1 1857763022 SQAREZJBKDTUSE-SFHVURJKSA-N 360.442 3.798 0 1 FHAF COc1ccc(CNc2cc(-c3ccccc3OC)ncn2)c(OC)c1 4265769 AHZDWIPYNWUZFH-UHFFFAOYSA-N 351.406 3.782 0 1 FHAF Cc1cccc(CSc2nc3ccncc3n2CC(=O)N2CCCC2)c1 6752204 GUAFGBLGCJPUEV-UHFFFAOYSA-N 366.490 3.654 0 1 FHAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NCc2cccc(C#N)c2)C1 8636059 CHIIROPOWPUCQS-NHCUHLMSSA-N 369.472 3.958 0 1 FHAF biogenic Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CN(C)CCc1ccccn1)O2 13651340 HFFHVLHCRKCOOJ-QFIPXVFZSA-N 354.494 3.971 0 1 FHAF O=C(N1CCCCC1)n1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1 28524981 DTFARLAMZSCTOO-UHFFFAOYSA-N 367.380 3.763 0 1 FHAF COC(=O)CCC(=O)Nc1ccccc1OCc1ccc2ccccc2n1 29222422 VZCLDKHUHUBYPI-UHFFFAOYSA-N 364.401 3.706 0 1 FHAF COc1cc(C(=O)c2oc3ccccc3c2N(C)C)cc(OC)c1OC 40423174 MZRFLNQUYWJRAD-UHFFFAOYSA-N 355.390 3.756 0 1 FHAF COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2cccc3ccccc23)cc1 45355495 RRGGGBBOZHYRRS-KSFYIVLOSA-N 363.457 3.881 0 1 FHAF COc1ccc2cc(/C=C/C(=O)NC3=C(C(=O)O)CCCC3)ccc2c1 169326305 LUOWWZWVEQFHOB-YRNVUSSQSA-N 351.402 3.891 0 1 FHAF CC[C@H](C)CN1C[C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 299813432 LZBCXHGIIMSXTK-GNCDUGFZSA-N 355.309 3.947 0 1 FHAF COC[C@H](OC(C)=O)[C@@H]1OCc2ccccc2[C@H]1/C=C\c1ccccc1 299813744 SSAJXUFJYJHGDQ-XRAJHOCQSA-N 352.430 3.961 0 1 FHAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c[nH]c(=N)cc2[nH]1 586981151 LFYODLIQRHYHKE-UHFFFAOYSA-N 368.238 3.899 0 1 FHAF Clc1ccccc1CCc1nc2ccc(CN3CCOCC3)cc2[nH]1 587059770 WEQDLNSNYHELSA-UHFFFAOYSA-N 355.869 3.834 0 1 FHAF CCOC(=O)[C@@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)CO1 587100662 DUYPNVUXLDVNSX-SFHVURJKSA-N 373.408 3.759 0 1 FHAF Ic1cncc(-c2nc3cnc4ccccc4c3[nH]2)c1 587184674 LSMUQVZUMKMZFU-UHFFFAOYSA-N 372.169 3.778 0 1 FHAF CC(C)[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)N(C)C(=O)OC(C)(C)C 587197186 AIBLGRVXYNFGGI-SNVBAGLBSA-N 373.379 3.887 0 1 FHAF COC(=O)c1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cn1 587241914 DVPBVZHOHKGSRJ-UHFFFAOYSA-N 360.373 3.861 0 1 FHAF CC[C@@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342104 LTYYIZXBOUNJSD-CTNGQTDRSA-N 366.392 3.929 0 1 FHAF Cn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587345262 ZEMKMILKVATWPH-AZUAARDMSA-N 352.365 3.539 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(Br)cc1F)O2 587385038 LJFSYTKQVIHPOD-CYBMUJFWSA-N 351.175 3.580 0 1 FHAF C[C@@]1(c2ccnc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567880 FPSZCFBCAKPLOT-XLIONFOSSA-N 351.333 3.803 0 1 FHAF Cc1n[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590955 TYNOTZHTQOICSB-XLIONFOSSA-N 350.374 3.609 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccccn23)N1 587773826 KBNBPPHSUJYPQV-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF COC(=O)Cc1ccccc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587783251 KKAYXCWSZYZNRW-UHFFFAOYSA-N 372.428 3.777 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ccnn23)N1 587795472 OWIIASBXWJVCAV-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCC(=O)O)N1 587828324 OSMSDKVIIIUZQO-QFYYESIMSA-N 358.251 3.983 0 1 FHAF CSc1nccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587843204 HNVHVPBOVAYGBW-RMLUDKJBSA-N 368.275 3.724 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)O)cs2)N1 587844440 AANAJAVUQOQLPZ-UOWDBTKRSA-N 370.243 3.972 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1OCC[C@@H]1C 587862379 LXWOICCHYIABPD-ZUZCIYMTSA-N 354.328 3.643 0 1 FHAF C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O 1857566595 RSVBTLSIVBWMNF-IBGZPJMESA-N 364.489 3.516 0 1 FHAF COc1ccc(N2C(=O)CN(Cc3cccc(F)c3)C2=S)cc1Cl 1857638935 CQXQKQDJCDOWPF-UHFFFAOYSA-N 364.829 3.621 0 1 FHAF Cc1ccc(NC(=O)c2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1F 1857640692 YSLYCKPTUCUCPP-CYBMUJFWSA-N 367.424 3.720 0 1 FHAF CC[C@H]1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857646354 BNPWSJFCDRPRGJ-XJKSGUPXSA-N 372.415 3.692 0 1 FHAF O=C(N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)C1CCCCC1 199359204 WOHWMAQZCXZINZ-SFHVURJKSA-N 362.901 3.918 0 3 FHAF O=C(Nc1ccc(Cl)cc1)[C@H]1CC=CC[C@@H]1C(=O)OC[C@@H]1CCCO1 2481664 UHCKTBHCFZLURK-ULQDDVLXSA-N 363.841 3.583 0 1 FHAF O=C1C[C@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21 13471701 XFBPGUPMMWBWAS-AWEZNQCLSA-N 355.409 3.759 0 1 FHAF O=C(c1ccc(Cl)cc1Cl)[C@@](O)(Cn1ccnc1)c1ccccc1 26404978 MZYZSZQULDGUQM-GOSISDBHSA-N 361.228 3.961 0 1 FHAF O=C1[C@H]2CCCC[C@H]2C(c2ccc3c(c2)OCO3)=NN1Cc1ccccc1 26567784 WKKMQRVLLUFLGR-MSOLQXFVSA-N 362.429 3.968 0 1 FHAF CCOC(=O)C1=C(C)N=C2NCCCN2[C@@H]1c1cccc(Cl)c1Cl 26744788 OCOSXYWKHYSXFC-OAHLLOKOSA-N 368.264 3.537 0 1 FHAF COc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@]3(C(F)(F)F)C2=O)cc1 28536235 LPKIBKLFJSUMMO-RHSMWYFYSA-N 353.340 3.864 0 1 FHAF biogenic Cc1cccc(-n2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)c1 34860392 CVRDRRAYTAWBKC-UHFFFAOYSA-N 360.388 3.648 0 1 FHAF NC(=O)C[S@@](=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 35876594 JBKSEOCGJGAYMB-JOCHJYFZSA-N 358.246 3.520 0 1 FHAF COc1cc2c(c(OC)c1OC)CC(C)=C(C)C[C@H]2NC(=O)C(F)(F)F 36381919 MPAWGHQCKUVCHG-CYBMUJFWSA-N 373.371 3.715 0 1 FHAF CC(=O)Nc1ccccc1NC(=O)CCCCc1ccc2c(c1)OCO2 40379690 JUEAWDPSUNOQAN-UHFFFAOYSA-N 354.406 3.725 0 1 FHAF CC(C)c1cccnc1CN(CCCCN)Cc1nc2ccccc2[nH]1 66076852 RPGVVLBYYWOFGM-UHFFFAOYSA-N 351.498 3.822 0 1 FHAF CC[C@@H](CN)[C@H](C)Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96174982 LIVUQZJIYLMRNO-GJZGRUSLSA-N 361.449 3.697 0 1 FHAF COc1cccc(N2CCN(c3[nH]cnc4c5ccccc5nc3-4)C[C@@H]2C)c1 101622511 FWTKCGPBIORMCU-HNNXBMFYSA-N 373.460 3.786 0 1 FHAF NC(=O)c1ccccc1Nc1nc(Nc2ccc(F)cc2)ncc1Cl 169320897 QVAFACIVQBAMNP-UHFFFAOYSA-N 357.776 3.855 0 1 FHAF O=C(Nc1cccc(F)c1)Nc1nccnc1OCc1cccc(F)c1 207056067 CZPDYZXWKZDPOQ-UHFFFAOYSA-N 356.332 3.978 0 1 FHAF COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@](C)(O)[C@@H]2C)cc1OC 238776786 BXRCKMALLHPXEJ-ZKCQSVRFSA-N 372.461 3.796 0 1 FHAF Cc1ccc(NC(=O)Cc2ccccc2F)cc1NC(=O)c1cnoc1C 473248021 LBWMLAOYKSXUOW-UHFFFAOYSA-N 367.380 3.864 0 1 FHAF CC(C)(C)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2n1 586966335 BOLUPCVZEZYTFN-UHFFFAOYSA-N 366.450 3.993 0 1 FHAF CCOC(=O)Cc1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587017315 LBPRUIJITJFROY-UHFFFAOYSA-N 367.430 3.976 0 1 FHAF Fc1cc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)ccc1-c1ccccc1 587146007 ZPMFBSHZBADZGT-UHFFFAOYSA-N 370.391 3.936 0 1 FHAF N[C@H](c1nc2cc(Br)c(F)cc2[nH]1)c1ccc(F)cc1F 587152149 ZOGBTIBSAAPPDH-ZDUSSCGKSA-N 356.145 3.791 0 1 FHAF CC[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355444 UUSXPOVXSVYTMA-QUCCMNQESA-N 358.365 3.904 0 1 FHAF COCCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444511 ZTNMVTCKDBFMDN-UTKZUKDTSA-N 354.402 3.599 0 1 FHAF CCOc1cc2c(c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c1)O[C@@H](C)C2 587448004 AUPKEHILMUWCFS-CNUNAPQTSA-N 366.413 3.906 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](CCCNC(=O)C1CCCC1)CC2=O 587471421 SNQOSYRVASUHND-HNNXBMFYSA-N 359.466 3.765 0 1 FHAF CC[C@]1([C@H]2CCCNC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795843 OVQOBPMAELWVMZ-PLQHRBFRSA-N 355.295 3.727 0 1 FHAF C[C@@]1(c2nccnc2Cl)c2ccsc2CCN1Cc1cccnc1 962997345 LXVBURUIPPSENZ-SFHVURJKSA-N 356.882 3.908 0 1 FHAF COc1ccc2nc(Cl)c(Cn3nnnc3Cc3ccccc3)cc2c1 1772614316 RMEFKCHAELYFPF-UHFFFAOYSA-N 365.824 3.522 0 1 FHAF NCc1ccnc(Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)c1 1772627397 MAPGRQSVGRBDGP-UHFFFAOYSA-N 359.429 3.531 0 1 FHAF CC(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)cn2c(C)nnc12 1857590364 DLFUZERZOIDQAM-UHFFFAOYSA-N 350.300 3.562 0 1 FHAF COc1cc(OC)c(-c2cn3ccc(NCCN(C)C)cc3n2)cc1Cl 1857605215 WCXMQWYYDLXTTB-UHFFFAOYSA-N 374.872 3.645 0 1 FHAF CN(C)CCCN=c1[nH]c(-c2[nH]c3ccccc3c2F)nc2ccccc12 1857635202 YCVRBLNTQDGVDU-UHFFFAOYSA-N 363.440 3.703 0 1 FHAF COc1cccc([C@](C)(O)c2nc(-c3ccc4c(c3)OCO4)cs2)c1 61905097 BIJCWIMTFNVLCV-IBGZPJMESA-N 355.415 3.803 0 3 FHAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2ccccc2C)C1=O 200050382 TYUPNNLHNCAQAZ-HXUWFJFHSA-N 350.462 3.615 0 3 FHAF Cc1ccc(CN2CCCC[C@H](NC(=O)c3ccc(F)c(F)c3)C2=O)cc1 200052555 AIZBLCKMFYVIIK-IBGZPJMESA-N 372.415 3.584 0 3 FHAF CC[C@@H]1CCCCN1C(=O)CSc1ncccc1C(=O)OC(C)C 3048959 NMMMFPUXRGYSRK-CQSZACIVSA-N 350.484 3.530 0 1 FHAF Cc1ccccc1C(=O)c1cccn1CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 5143012 YMIPNUDRJYQQSJ-IEZWGBDMSA-N 352.478 3.968 0 1 FHAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 12953226 DBEPLOCGEIEOCV-RJXLCHRZSA-N 372.553 3.815 0 1 FHAF CCN(CC)CCOC(=O)C1(c2ccc(N3CCCC3)cc2)CCCC1 13824759 PXBMYTXCOCGUQU-UHFFFAOYSA-N 358.526 3.984 0 1 FHAF C[C@H](Cn1ccc2cc(OCCCNc3ccccn3)ccc21)C(=O)O 13973074 HEKMCUFRMXWTPN-OAHLLOKOSA-N 353.422 3.638 0 1 FHAF COc1ccc2c(c1CCC(C)(C)O)O[C@@H]1c3ccc(O)cc3OC[C@@H]21 15115231 QSWBCPQDDKJHGF-OXJNMPFZSA-N 356.418 3.714 0 1 FHAF biogenic CCNC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 28568694 DGCNLEJTGGXFLE-MBRJNUQKSA-N 355.478 3.570 0 1 FHAF in-vivo COc1ccc(/C=C/C(=O)N[C@H](CCN(C)C)c2ccc(C)cc2)cc1 28654005 YBQWCMCDTYWMNO-ZGQNHIEXSA-N 352.478 3.826 0 1 FHAF N[C@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@H]1c1ccc(F)cc1Cl 36310962 NPRMBEFOHOIZLG-HOCLYGCPSA-N 374.872 3.929 0 1 FHAF COc1ccc(CN[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 38238537 MHVFEIYTXIHPIL-QFIPXVFZSA-N 371.440 3.601 0 1 FHAF COC1=C[C@H](OC)c2ccc3cc(OC)c(OC)c(OC)c3c2[C@H]1OC 40836544 SWBYAKHCJSRELV-UGSOOPFHSA-N 360.406 3.785 0 1 FHAF O=C1Nc2ccccc2[C@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 45245269 FLWGBLAHZZXWDD-MRXNPFEDSA-N 368.286 3.575 0 1 FHAF CC1=Cc2cccc(NS(=O)(=O)c3c(Cl)nc4sccn34)c2C1 62242258 JDBOIELUYFBAIE-UHFFFAOYSA-N 365.867 3.809 0 1 FHAF COC(=O)C/C=C\[C@H](C)[C@H](OC)c1c(Br)ccc2c1OCO2 73048754 WGONEYCOJVMLLL-ACTWMTSASA-N 371.227 3.621 0 1 FHAF COC(=O)C(C)(C)[C@H](c1ccc(Nc2ccccc2)cc1)n1cncn1 95560350 RFXXESOWGZZTJX-SFHVURJKSA-N 350.422 3.810 0 1 FHAF CNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2c(C)c1N1CCC(C)CC1 101495864 CPXAEAMESOWUSN-UHFFFAOYSA-N 369.465 3.621 0 1 FHAF CNC(=O)Oc1cccc(OCCOc2ccc(C(F)(F)F)cc2)c1 103214377 XULUNAIUNYYIBQ-UHFFFAOYSA-N 355.312 3.881 0 1 FHAF Cc1ccc(-c2c([C@@H](OC(C)(C)C)C(=O)O)c(C)nc3ccnn23)cc1 113880494 QATSKJGOEJTRPS-GOSISDBHSA-N 353.422 3.954 0 1 FHAF CO[C@H]1C[C@@H](CC[C@@]2(C)[C@H](C)CC[C@@]3(CO)C(CO)=CCC[C@@H]32)CO1 238748334 FECFLNMGJZPFNI-ADMSAAITSA-N 352.515 3.519 0 1 FHAF COc1cc(/C=C/c2nc3cnc(Cl)[nH]c-3n2)ccc1Br 586977487 POYWQRFCQDUHMK-HWKANZROSA-N 365.618 3.899 0 1 FHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C)nc2[nH]1 587111853 DXWSPMLDCZMJPA-KRWDZBQOSA-N 362.355 3.685 0 1 FHAF Cn1cc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587342895 QIPBOGKRMZCXJG-TZIWHRDSSA-N 366.392 3.625 0 1 FHAF C[C@]12CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]1O2 587360322 UVYSKPOTFHHREW-BVOGOJNSSA-N 354.377 3.970 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(F)c(F)c1)O2 587382735 ULFNXQYHSRMNNK-LJQANCHMSA-N 361.344 3.581 0 1 FHAF COc1ccc([C@@]2(/C=C\N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587386342 IKLYJPVLZIISJG-VFCOFNOGSA-N 352.434 3.522 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(Cc3ccccc3)CC[C@H]1C)O2 587392513 AZVTYDGFZIPILH-ZHRRBRCNSA-N 350.462 3.823 0 1 FHAF CCOC(=O)[C@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587399709 LDBQFBXDKMKPLS-OYHNWAKOSA-N 365.429 3.878 0 1 FHAF COc1cc2c3c(c1)O[C@@](C[C@@H](C)C(=O)O)(c1ccccc1F)[C@@H](C2)C3=O 587427839 WGDXLTXMAYRGIE-JSKPFOEOSA-N 370.376 3.588 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cn(-c3ccccc3)nn1)CC2=O 587475811 MWQDNLWOENHKED-NRFANRHFSA-N 363.417 3.806 0 1 FHAF Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)c1C 587752151 CDTBGISTAUECMK-ANRSDYALSA-N 352.251 3.562 0 1 FHAF CCc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1CC 587765232 RYIQVDADEACOHJ-BMLIUANNSA-N 366.278 3.991 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn3ccccc23)N1 587794455 MRKJZFANUSGWKC-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccccc3C2=O)N1 587816804 DKAPSMUNDVIZGC-YPMLDQLKSA-N 360.226 3.757 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CC3(CC3)C2)N1 587819260 UUYRBYORPVAWBG-BMLIUANNSA-N 352.247 3.851 0 1 FHAF COC(=O)c1ccc(Oc2ccc3[nH]c(/C=C/C=C/C(=O)O)nc3c2)cc1 587966310 BHQNPDRKLCMNGD-ZUVMSYQZSA-N 364.357 3.796 0 1 FHAF COc1ccc2c(c1)[C@](C)(c1cc3c(cc1N)OCCO3)N(C(C)C)CC2 962091520 OGMMHAMZEAPZNQ-JOCHJYFZSA-N 368.477 3.579 0 1 FHAF COc1ccc2c(c1OC)[C@@]1(CCCc3ccc(CN)cc31)N(C)[C@@H](C)C2 962565531 HQAMSWKXIGWPHL-WNSKOXEYSA-N 366.505 3.619 0 1 FHAF CCc1cc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)n[nH]1 962952439 IDMNVGVTVBVINX-KRWDZBQOSA-N 365.399 3.732 0 1 FHAF Cc1cc(Cl)ccc1NC(=O)C[C@@]1(C)NCCc2nc3ccccn3c21 962986258 RSAARTIVDCVSDV-HXUWFJFHSA-N 368.868 3.686 0 1 FHAF COc1ccc2oc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cc2c1 963233590 PAKPLRJNQCRUNP-NQIIRXRSSA-N 374.396 3.678 0 1 FHAF Cc1ccc(NC(=O)c2coc3ccc(/C=C/C(=O)O)cc3c2=O)cc1C 1857774658 XHXQSDWCRTXPQX-VMPITWQZSA-N 363.369 3.760 0 1 FHAF Cc1c(-c2cc(F)c(N)cc2F)c(F)cc2c(CN)cc(=O)n(C3CC3)c12 1911577522 IQNMGUVNFLXJBW-UHFFFAOYSA-N 373.378 3.770 0 1 FHAF C[C]1C=CN(CC(=O)c2ccc(I)cc2)C=C1C 2356857234 WTGGSMVYMNSKGV-UHFFFAOYSA-N 352.195 3.801 0 1 FHAF Cc1cc2nc(-c3cccnc3SCC(=O)NC(C)C)[nH]c2cc1C 1329430 MZIOFEVZVDCKFM-UHFFFAOYSA-N 354.479 3.858 0 3 FHAF CN1CCC(=O)N([C@H](CSc2ccccc2)Cc2ccccc2)CC1 12474519 VTRQINMULFJJRM-IBGZPJMESA-N 354.519 3.554 0 3 FHAF Cc1ccc(CN2CCCC[C@H](NC(=O)Nc3ccccc3F)C2=O)cc1 200053682 YJMHWBGZFNXAFJ-IBGZPJMESA-N 369.440 3.837 0 3 FHAF CC(C)(C)c1noc(-c2ccoc2)c1C(=O)N[C@@H](CO)Cc1ccccc1 775769 UDYUQQRTPHHRLU-MRXNPFEDSA-N 368.433 3.566 0 1 FHAF CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccncc1 3907181 BAUSXIVYHZMBPU-IBGZPJMESA-N 361.449 3.589 0 1 FHAF CCc1ccc(-n2cnc3c(sc4nccc(N5CCC5)c43)c2=O)cc1 13676173 FDIVPHCBJYDOLP-UHFFFAOYSA-N 362.458 3.768 0 1 FHAF Cn1c2c(ccc1=O)[C@H](NCCc1ccc(Cl)c(Cl)c1)CCC2 13743277 LTBWJTYKXRWIJQ-MRXNPFEDSA-N 351.277 3.902 0 1 FHAF N=C(NCCCCCN1CCCCC1)NCC12CC3CC(CC(C3)C1)C2 13809084 ZCCAEGCGVMXQSJ-UHFFFAOYSA-N 360.590 3.973 0 1 FHAF CC[C@H]1Oc2ccc(Cl)cc2N(CC(=O)N(C)Cc2ccccc2)C1=O 20684240 ASJZNFKPBIHXSB-QGZVFWFLSA-N 372.852 3.503 0 1 FHAF NC(=O)c1cccc(-c2ccc([C@H](N)Cc3cc(F)ccc3F)cc2)c1 24981641 JYKFWUXBFJJDTP-HXUWFJFHSA-N 352.384 3.973 0 1 FHAF in-vivo NCc1noc(-c2nn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)n1 40395148 FCMKZIPWKVDJCO-UHFFFAOYSA-N 373.338 3.612 0 1 FHAF CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2)n3C)ccn1 40896434 GLRHEOXLLKWUGI-UHFFFAOYSA-N 373.416 3.864 0 1 FHAF O=C1CCC(=O)N1CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 45319890 JZGAHCGFALLGTD-UHFFFAOYSA-N 372.833 3.618 0 1 FHAF O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2cccc(F)c2)no1 71405066 JQPZBNRTLJPARC-INIZCTEOSA-N 355.344 3.992 0 1 FHAF O[C@@](c1cccnc1)(c1cnc(Cl)nc1)c1ccc(Cl)cc1F 72101413 WZNYAHKZOSGZHM-INIZCTEOSA-N 350.180 3.602 0 1 FHAF COc1cc([C@H](O)c2csc(-c3ccccc3)n2)cc(OC)c1OC 72118712 HVNPJYMFHZEFHQ-KRWDZBQOSA-N 357.431 3.918 0 1 FHAF C[C@@H]1CCCN1CCCOc1ccc(C2=NN(C)C(=O)[C@@H]3CCC[C@H]23)cc1 72127780 GKEPUTPZCYQUOQ-LSTHTHJFSA-N 369.509 3.532 0 1 FHAF Cc1c(C(=O)N(C#N)Cc2ccc(F)cc2)ncn1Cc1ccc(F)cc1 73198612 GOGVKWPIZBMMDQ-UHFFFAOYSA-N 366.371 3.642 0 1 FHAF CC[C@@H]1COc2cccc3c(=O)c(C(=O)N[C@@H](C)CCC(C)C)cn1c23 95556004 PSXQVRBHHWMMEZ-LSDHHAIUSA-N 356.466 3.900 0 1 FHAF COc1cc(Cc2c(C3=NCCO3)[nH]c3ccccc23)cc(OC)c1OC 95598443 LLXJRBFAYAFFDX-UHFFFAOYSA-N 366.417 3.561 0 1 FHAF COc1cc(-c2cc3cc(/C=C/C(=O)O)cc(O)c3o2)ccc1N(C)C 96934956 GGUDELIGBWVBQV-QPJJXVBHSA-N 353.374 3.978 0 1 FHAF C[C@@H](Cc1ccc(Cl)cc1)N1C(=O)CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1=O 101677980 XRMFYWPUUCWBAI-CRNXPOROSA-N 374.868 3.641 0 1 FHAF COc1ccc(OC)c(/C=C/C2=NN(C(C)=O)[C@H](c3ccccc3)O2)c1 103195779 BBAPMLMMVLABSY-JTPHSUOKSA-N 352.390 3.608 0 1 FHAF COc1ccc(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc1 114088690 OIMAIUJGZFYKCX-UHFFFAOYSA-N 372.428 3.825 0 1 FHAF O=C1c2ccccc2C2=NC(=S)N[C@H](c3cccc(Br)c3)[C@@H]12 169726054 UBOVKIKFCZBYPU-ZIAGYGMSSA-N 371.259 3.680 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)C4CCC4)ncc23)ccn1 219758705 HBMVMPSAZDETDQ-GFCCVEGCSA-N 350.426 3.638 0 1 FHAF OCC12CCC(c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)(CC1)CC2 586895330 FKEFXPOBUULKHN-UHFFFAOYSA-N 360.767 3.561 0 1 FHAF Cc1c(Br)cnc2[nH]c([C@H](O)c3ccccc3Cl)nc12 587058716 IOVMYCGRWRTTAM-GFCCVEGCSA-N 352.619 3.764 0 1 FHAF COC(=O)c1ccnc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587075726 JPMBUXVLFKZUDJ-HNNXBMFYSA-N 370.840 3.735 0 1 FHAF FC(F)(F)CCc1ocnc1-c1nc2cc(Br)cnc2[nH]1 587092172 NKRUDPBMKXCCGM-UHFFFAOYSA-N 361.121 3.870 0 1 FHAF COc1cc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1C 587093013 CQNNYSVDMXDMKC-HNNXBMFYSA-N 371.384 3.637 0 1 FHAF CC(C)OC(=O)C1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC(F)(F)C1 587130299 HFVJFMXUKYVUQM-UHFFFAOYSA-N 374.290 3.503 0 1 FHAF Fc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(N2CCCC2)n1 587177666 SMIPCTMCSNYZBZ-UHFFFAOYSA-N 362.311 3.686 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2cc(F)cc(F)c2[nH]1)C[C@@H]1CCCO1 587196838 CVXDVFZGDWKBPO-LBPRGKRZSA-N 367.396 3.757 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(CC(=O)Nc3cccc(C)c3C)nc2c1 587238908 HMKPYVQRBUJJPP-UHFFFAOYSA-N 371.824 3.801 0 1 FHAF N=c1cc[nH]cc1-c1nc2c(Br)ccc(Br)c2[nH]1 587249925 SPKDPOJFFGEVCM-UHFFFAOYSA-N 368.032 3.562 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C)C1)O2 587393917 OIBYGIKDHXCOED-XCLFUZPHSA-N 360.454 3.701 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(C)cc(C)cc1-n1cccn1)[C@@H](C2)C3=O 587433155 VEHJTDJZETXQDA-AOMKIAJQSA-N 360.413 3.986 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnn(CC(F)(F)F)c1)CC2=O 587460466 IUJMAZKMKUJGJD-HNNXBMFYSA-N 354.328 3.810 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccncc12 587589193 WCSLKSDCIGTFBA-SIKLNZKXSA-N 359.381 3.981 0 1 FHAF C[C@@]1(CC2(C(=O)O)CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611713 SZQOBZNXFZJQSY-JXFKEZNVSA-N 368.385 3.758 0 1 FHAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)c(C)n1 587637523 BOBGGMYTLMUJJB-UHFFFAOYSA-N 365.311 3.641 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCCCC2)N1 587767911 SDABSQYWGNXKLM-SJCJKPOMSA-N 355.295 3.824 0 1 FHAF COc1ccc(CCCc2nc3cc(F)cc(C(=O)O)c3[nH]2)c(OC)c1 587929602 YKFHJNFMISTYEY-UHFFFAOYSA-N 358.369 3.593 0 1 FHAF COc1ccc([C@H](O)[C@H](C)c2nc3ccnc(Br)c3[nH]2)cc1 587935693 IMJIDXGSCMDHSQ-LKFCYVNXSA-N 362.227 3.566 0 1 FHAF Cc1cccc(C)c1[C@]1(c2ccccn2)NCCc2c1c(C(C)C)nn2C 962924888 XJNQWRBBTBTOTB-QHCPKHFHSA-N 360.505 3.993 0 1 FHAF COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3OC(C)C)[nH]n2)cn1 61897560 YJGIZMUOZBNLGK-UHFFFAOYSA-N 370.384 3.659 0 3 FHAF C[C@H]1CN=C(c2cc(Cl)c(N)c(Cl)c2)c2c3ccccc3[n+]([O-])n21 206061349 AJZCAZRQBMUUSM-VIFPVBQESA-N 361.232 3.576 0 3 FHAF COc1ccc2c(c1)C(OC(C)C)=C(C(=O)Nc1ccccc1)S2=O 13603787 UGWVUANDYNXEJD-UHFFFAOYSA-N 357.431 3.549 0 1 FHAF COc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1 13782420 IRWKUXXPQOGSND-UHFFFAOYSA-N 358.419 3.768 0 1 FHAF O=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)Nc1ccccn1 13824835 SFLVJAUPYRUKNE-UHFFFAOYSA-N 363.808 3.785 0 1 FHAF CCC(=O)N(c1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCC[C@H]1N(C)C 28239346 SAIDPJNHMVNROB-RKDXNWHRSA-N 350.331 3.608 0 1 FHAF N[C@@H](CC(=O)N1CCCC[C@H]1Cc1ccccc1)Cc1ccccc1F 28388670 KZFRCBBLUOJRBO-UXHICEINSA-N 354.469 3.709 0 1 FHAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1ccc2ccccc2c1 36330266 KKCNWLZCSPGJEJ-UHFFFAOYSA-N 362.501 3.740 0 1 FHAF CCCC[C@H](/C=C1/C[C@@](CO)(COC(=O)c2ccc(C)cc2)OC1=O)CC 42922328 URMIFSQXHSBVND-RAAWWHSXSA-N 374.477 3.973 0 1 FHAF Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCCCC3)cccc1C2=O 49109655 QPEPHZDDNBFIFT-UHFFFAOYSA-N 370.456 3.923 0 1 FHAF COc1cc(CNCc2coc(-c3ccc(F)cc3)n2)cc(OC)c1OC 72101120 PUBHMQATVGXXHN-UHFFFAOYSA-N 372.396 3.796 0 1 FHAF CNC(=O)c1cnc(N)c2cc(-c3ccc(OC(F)(F)F)cc3)sc12 73224614 ZYYHYWCLONWJSJ-UHFFFAOYSA-N 367.352 3.804 0 1 FHAF CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3ccncc3[nH]2)c1F 84603595 ITAMCUMQESYVPJ-UHFFFAOYSA-N 351.378 3.660 0 1 FHAF Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C)CCCCN4[C@H]3CO)cc2)cc1 95874477 RNZDERBTNLUMER-VJBWXMMDSA-N 350.506 3.516 0 1 FHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(Cl)ccnc2[nH]1 586972562 IGLWSYNHFAPVNT-CQSZACIVSA-N 360.870 3.722 0 1 FHAF COC(=O)C[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H]1C 586993226 VJKGBIXGANBBNN-NEPJUHHUSA-N 373.408 3.991 0 1 FHAF CCO[C@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)s1 587014550 NBIGQJNVWHHYQR-SNVBAGLBSA-N 356.451 3.977 0 1 FHAF Cc1ccc2c3c(cc([C@H]4CN(C)CC[C@]4(C)O)nc13)-c1ccccc1C2=O 587096142 DTSUXNLJLFWJHV-DVECYGJZSA-N 372.468 3.925 0 1 FHAF CC(=O)N[C@@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(C)cc1 587207756 URSALKIUWDQWJX-LBPRGKRZSA-N 363.248 3.993 0 1 FHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Cl)cnc3[nH]2)cc1 587245714 YCRDIYVSSPDZDU-UHFFFAOYSA-N 367.796 3.751 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1c(C)cccc1C)O2 587387425 PSITUVVRIHXLGQ-NRFANRHFSA-N 352.434 3.947 0 1 FHAF COc1ccccc1-n1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cn1 587391505 MSHWVTFCXQHSIR-OAQYLSRUSA-N 363.417 3.652 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1ccc(C(=O)O)cc1)O2 587395107 OSLHLTSTLMSHEW-QFIPXVFZSA-N 374.396 3.579 0 1 FHAF CCn1cc([C@@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587583734 XDFGZVJOKFRTOE-GHTZIAJQSA-N 364.401 3.876 0 1 FHAF C[C@H]1CCc2c(C(=O)n3ncc4ccc(Cl)cc4c3=O)csc2C1 587654161 OYCDSJBSEIFQFD-JTQLQIEISA-N 358.850 3.925 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnccc2N(C)C)N1 587751956 CFJFGQYNNIJFMJ-BTDLBPIBSA-N 364.262 3.673 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@H]2CC3=O)N1 587825760 FEPZQICTRZUQLB-RVOMIOKESA-N 352.247 3.707 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)co2)N1 587831002 VANYFCVUDPKAPR-ZKANADHPSA-N 368.202 3.677 0 1 FHAF CC(C)C1=C[C@]2(CC(=O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 587834195 QVEGNBHGAJDAFR-BMLIUANNSA-N 368.246 3.805 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CCO[C@H]1C21CCC1 587839432 SDUQCZQJOIHHCH-UCOJWJJSSA-N 366.274 3.907 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(CCO)cc1 587872295 SZGVSVKNCUXFPR-UHFFFAOYSA-N 369.396 3.703 0 1 FHAF O=C(O)c1ccccc1[C@@]1(C(=O)O)NCCc2cccc(-c3ccccc3)c21 962661873 ASHRCZVGOZNYKU-HSZRJFAPSA-N 373.408 3.526 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cccc(OCCF)c1 963061928 ZNDZFHICCPLREC-FQEVSTJZSA-N 352.409 3.827 0 1 FHAF Cn1cc([C@]2(C(F)(F)F)NCCc3c(C(=O)O)cccc32)c2ccccc21 963119450 FEDIWXSIYIASIQ-LJQANCHMSA-N 374.362 3.828 0 1 FHAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccccc1-c1nc(C)no1 963271462 UGCHSPKVZGRAKE-SFHVURJKSA-N 355.825 3.942 0 1 FHAF C[C@H](O)c1cc(C(=O)N[C@@H](C)c2ccccc2F)ccc1-c1cn[nH]c1 1772645520 LYLJYIZTSPUCNP-STQMWFEESA-N 353.397 3.760 0 1 FHAF C[C@@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N(C)Cc1ccccc1 2356290312 PGCCIXMCJNKTBX-CYBMUJFWSA-N 354.381 3.806 0 1 FHAF CC[C@@H]1C=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 2356475130 QBUNWYIRJPTIPL-IGOUTVOTSA-N 364.482 3.549 0 1 FHAF COc1ccc(CN2CC[C@H]3CC(=O)N(c4ccccc4)CC[C@@H]3C2)cc1 2356847433 OWBICFVPJZVFGB-VQTJNVASSA-N 364.489 3.960 0 1 FHAF NC(=O)c1c(F)ccc(OCC2=NO[C@H](c3ccccc3Cl)C2)c1F 2382217252 OVUCZNLVKSBLAC-AWEZNQCLSA-N 366.751 3.614 0 1 FHAF CC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCc2cccs2)[nH]n1 61902748 OWDZOYNIYVLIPH-UHFFFAOYSA-N 359.426 3.995 0 3 FHAF O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1C[C@H]2CC[C@H]1C2 101801988 VOOFDPQDAPUPJE-AAEUAGOBSA-N 366.339 3.897 0 3 FHAF O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c2ccccc12 596212 IWLKYKZHECHQAM-UHFFFAOYSA-N 363.186 3.613 0 1 FHAF O=C1Cc2cc(CCN3CCN(c4cccc5ccccc45)CC3)ccc2N1 3782398 GEJKYGSJUJTWOZ-UHFFFAOYSA-N 371.484 3.699 0 1 FHAF CO[C@]1(C)C[C@@H]2N(C(=O)c3ccccc3)N=C(c3ccccc3)C[C@]2(C)O1 5811239 NLFKESWQOLYPFY-BVSLBCMMSA-N 364.445 3.847 0 1 FHAF C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 6030260 GOJFQAWHNZEBKB-OICSVGKFSA-N 358.478 3.602 0 1 FHAF biogenic COc1cc(-n2cncc2-c2ccc3c(c2)CCN3C)cc(OC)c1OC 13473118 VAJLPOCMFXRWCJ-UHFFFAOYSA-N 365.433 3.557 0 1 FHAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1 13475358 CTLASCJYROVJFB-SFHVURJKSA-N 357.494 3.965 0 1 FHAF Oc1nc2c(c3nc(-c4ccc(F)cc4)cn13)CN(Cc1ccccc1)CC2 13492014 LANDKUVVCIAGOW-UHFFFAOYSA-N 374.419 3.799 0 1 FHAF CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCCNCC2)cc1 22450777 LRPPPKQPCRCVLI-JOCHJYFZSA-N 365.521 3.553 0 1 FHAF OCCC1=N[C@H](c2ccc(O)cc2Cl)[C@H](c2ccc(O)cc2Cl)N1 28007533 WOYQXIOCYHGOSI-CALCHBBNSA-N 367.232 3.571 0 1 FHAF O=C(c1ccco1)N1CSC[C@H]1c1nc(-c2cccc(Cl)c2)no1 35310418 BDHPBNDYZSJFEG-LBPRGKRZSA-N 361.810 3.871 0 1 FHAF O=C(NC1CCCCC1)c1cc(Br)cnc1N1CCCCC1 39229226 ZHEHUCQITBJKOO-UHFFFAOYSA-N 366.303 3.897 0 1 FHAF CC[C@@H](C)Sc1nnc([C@H](C)Sc2nc3nc(C)cc(C)n3n2)o1 40917586 SUPYXWBRLQZAPQ-MNOVXSKESA-N 364.500 3.868 0 1 FHAF O=C(OCCN1CCOCC1)N1c2ccccc2Sc2ccccc21 40934873 ZOQGMRFUDSXPSH-UHFFFAOYSA-N 356.447 3.758 0 1 FHAF COc1cc(C(=O)c2ccnc3c(OC)cccc23)cc(OC)c1OC 45356722 YIIDMZJJKOIBPX-UHFFFAOYSA-N 353.374 3.500 0 1 FHAF CCCCCCOc1ccc(-c2nc(C(=O)N(C)CC(=O)OC)co2)cc1 82074006 LOCPWTQLPYLQMH-UHFFFAOYSA-N 374.437 3.546 0 1 FHAF Clc1c(N2CCN(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12 95577127 FZNYXOKZKWFUEV-UHFFFAOYSA-N 367.884 3.662 0 1 FHAF COc1ccc([C@]2(c3cccc(-c4cccnc4)c3)C[C@@H](OC)C(N)=N2)cc1 96906042 XBWQSEBJKSPBBV-GGAORHGYSA-N 373.456 3.777 0 1 FHAF CCCS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCC3 103230008 ASTIXQNOCMZFEM-UHFFFAOYSA-N 350.436 3.571 0 1 FHAF CCNc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1 117588557 YFHJEXVXJWKLJW-UHFFFAOYSA-N 368.481 3.630 0 1 FHAF CCOC(=O)C1=C(C)NC(SC)=N[C@@H]1c1ccccc1C(F)(F)F 299856063 HKWBTRNGUFFCKG-CYBMUJFWSA-N 358.385 3.906 0 1 FHAF Cc1ccc(C2=C[C@H](c3oc(CO)cc(=O)c3O)c3ccccc3O2)cc1 299871775 ZFQHULBCUDOMHJ-KRWDZBQOSA-N 362.381 3.712 0 1 FHAF N=c1[nH]c(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)cs1 587020526 AVIIQBOHIWBZJG-UHFFFAOYSA-N 364.430 3.927 0 1 FHAF N[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(F)cc1F 587150727 ORJQKACIEKFFGJ-JTQLQIEISA-N 373.588 3.700 0 1 FHAF CC(C)N1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347272 UFZMLBDBKPDPHL-TZIWHRDSSA-N 355.409 3.743 0 1 FHAF COC(=O)[C@H](C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350457 KIWPXVIPYFCBGL-NWXLUKJOSA-N 372.392 3.848 0 1 FHAF CC[C@@]1(C)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(N)ccc2O1 587434456 VNMLWDWFZUTRHO-URZJWIJPSA-N 365.429 3.872 0 1 FHAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587588226 PSLWZAKFIMOVPX-WIYYLYMNSA-N 363.369 3.889 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nc[nH]c12 587592504 YYSHGTHGLCMBPV-UWJYYQICSA-N 358.353 3.971 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)[C@@H]3CCC[C@@H]32)N1 587768589 KXFIESILSYYYOJ-CWMCZYRISA-N 367.306 3.822 0 1 FHAF CCOC(=O)[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798954 QIEAAMMGRFMQGW-KCWFYHRYSA-N 358.251 3.537 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](CC(=O)O)C2)N1 587825490 DTVSFBLIGFFAAO-LYGAQUJYSA-N 356.235 3.593 0 1 FHAF COc1ccc(Br)c([C@]2(C)NCCc3nc4ccccn4c32)c1 962981920 HPTZHYXPNQSEFT-SFHVURJKSA-N 372.266 3.515 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1c(C)nc2c(C)cccn12 963063014 YTZOLMFFJZGCJZ-QHCPKHFHSA-N 372.472 3.917 0 1 FHAF CN1CCc2c(Br)cccc2[C@H]1c1cnnn1-c1ccccc1 963289644 PTQRVZHDNDUHJI-SFHVURJKSA-N 369.266 3.607 0 1 FHAF COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3)n2)cc1 1772595666 LOASXRXGWPKWPM-UHFFFAOYSA-N 371.400 3.590 0 1 FHAF C[C@@H]1[C@H](Cc2ccc3c(c2)OCO3)O[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C 2356603814 LAESRKLDVMTTQV-WZBLMQSHSA-N 368.429 3.969 0 1 FHAF COc1ccccc1[C@H](OC(=O)c1cccs1)C(=O)NCc1ccco1 1381174 LXBLCJZINAPNGB-KRWDZBQOSA-N 371.414 3.564 0 3 FHAF CN[C@@H]1[C@H]2CC[C@@]34[C@H](O)C[C@@]5(C)CCC[C@@](O)(C5)[C@@]3(C2)C[C@]42CCC[C@H]12 2356356143 JKQIHFCAOYBZNP-ROEBVPMYSA-N 359.554 3.627 0 1 FHAF O=C(O)C[C@H]1CCN(C2CCCCC2)C[C@H]1Cc1nc2ccccc2[nH]1 2356419465 TWPNGPZIWWUXSA-HZPDHXFCSA-N 355.482 3.851 0 1 FHAF Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 6779277 XANBQHZPXMNDCA-GFCCVEGCSA-N 362.476 3.537 0 1 FHAF COCCCN(CC[C@@H]1C[C@@H]2CC[C@@H]1C2)C(=O)NCCCc1ccncc1 101849338 VQANCEKQLAYJEV-NJDAHSKKSA-N 373.541 3.889 0 1 FHAF CCOC1(OCC)[C@H]2c3ccccc3[C@@H]([n+]3cccc(OC)c32)C1(C)C 100714955 MPNUBKWLWLDCCY-AZUAARDMSA-N 354.470 3.827 0 1 FHAF O=C(Nc1csc2ccccc12)c1nc(-c2cccs2)[nH]c(=O)c1O 28820275 VJLLGRGSTOWSOC-UHFFFAOYSA-N 369.427 3.671 0 1 FHAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCNC(=O)c3ccccc3)ccc21 28567896 IQUOQKZCXOOEPP-UYAOXDASSA-N 367.445 3.636 0 1 FHAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCCOC)[C@@H](O)C[C@H]1O 2356564615 VWEVSUSNDAHANL-UQVNRYHBSA-N 354.531 3.605 0 1 FHAF CCN(CC)CCN[C@H]1c2cc(OC(C)C)ccc2OCc2ncccc21 22441271 HUAXUZOETALDFC-JOCHJYFZSA-N 369.509 3.782 0 1 FHAF Fc1ccccc1Cc1nc(-c2nc(C(F)(F)F)n[nH]2)n2ccccc12 73170222 OARMWXVRVDZNMH-UHFFFAOYSA-N 361.302 3.868 0 1 FHAF COc1ccc([C@H](O)[C@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)cc1OC 14646564 FSDMYBGAIBCOBH-PXIJXODZSA-N 358.434 3.981 0 1 FHAF biogenic COc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)[C@H](O)C2=O 14819286 KYQFKDZILDYMMX-WOJBJXKFSA-N 354.402 3.587 0 1 FHAF biogenic NC(=O)/C=C\c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 224326418 WERBOMWQBLUEMC-BAQGIRSFSA-N 367.302 3.987 0 1 FHAF CCN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2F)n1 82152809 SASYPWVMTOPCDT-UHFFFAOYSA-N 356.445 3.611 0 1 FHAF CN(C)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 43014285 DDHSIUUOIYFUOU-UHFFFAOYSA-N 352.457 3.754 0 1 FHAF CNC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 253634602 RZFLKYKMLWACOU-YTEUYLGWSA-N 351.277 3.606 0 1 FHAF COC(=O)[C@H]1[C@H](c2ccc(-c3cccc(O)c3)cc2)C[C@H]2CC[C@H]1N2C 253634657 TTXGYEDMFZIQNY-PMXSJFBMSA-N 351.446 3.799 0 1 FHAF Cc1nc(N2CC[C@@H](O)C2)ccc1-c1cc(C(F)(F)F)cc2[nH]ncc12 653856264 PWRMQUDNGXLDFA-GFCCVEGCSA-N 362.355 3.523 0 1 FHAF Nc1ccnc2[nH]c(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc12 587138958 XSZLBFPRYSWKJD-UHFFFAOYSA-N 366.327 3.851 0 1 FHAF COc1ccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 586972545 IEFDZMLSVZZYML-GOSISDBHSA-N 355.463 3.682 0 1 FHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)cc(F)c2[nH]1 587194257 PAQQVHFLXYTVEO-LBPRGKRZSA-N 370.856 3.873 0 1 FHAF COc1cc2c3c(c1)O[C@@H]([C@@H](C)Cc1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587427334 SOLSRHBYTHXTQR-XTNUZHGASA-N 356.393 3.838 0 1 FHAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(Cl)c4[nH]3)cc12 587036856 AYDAJZKFYURZAX-VIFPVBQESA-N 373.869 3.964 0 1 FHAF Cc1cc(Br)cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c12 587094695 SYROOORDFGEMRJ-ZETCQYMHSA-N 364.165 3.763 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1O 587570750 XRNQOWUZDVBDRI-YLJYHZDGSA-N 352.317 3.940 0 1 FHAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587238385 CWORCHZJUUXBJG-UHFFFAOYSA-N 350.300 3.928 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3/C=C\C(=O)O)nc2c1 586882191 MLLYQXVPOZQSAK-SREVYHEPSA-N 356.765 3.768 0 1 FHAF COc1cccc([C@]2([C@H](C)CN(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587385991 GIXILLXRZIJWDO-IVZQSRNASA-N 368.477 3.644 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1C[C@H]1C(=O)O)CC2=O 587491378 UUKGYHUAUNSPPP-DRSNIGMVSA-N 366.413 3.926 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3c(c1)ncn3C)CC2=O 587479376 ZBBMTRWFAFYWBC-HXUWFJFHSA-N 351.406 3.507 0 1 FHAF c1ccc2c(c1)C[C@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)S2 587040219 GKIOLVAXJTXDOH-LJQANCHMSA-N 351.475 3.785 0 1 FHAF Brc1cccn2ncc(-c3nc4cc5cn[nH]c5cc4[nH]3)c12 587006762 OHPMKXOMZMYDQF-UHFFFAOYSA-N 353.183 3.516 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)nc2)N1 587736982 CPEKCXABUMGGOU-JDNHERCYSA-N 353.210 3.920 0 1 FHAF Oc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586999024 SEEFDWGPQHBZKX-RJRFIUFISA-N 359.179 3.930 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cn(C)nc1-c1cccs1)[C@@H](C2)C3=O 587448648 ANSTYFRGOSJTSA-BUXKBTBVSA-N 352.415 3.646 0 1 FHAF C[C@@]1(c2ncncc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587506378 XORFEPLZKNBSPF-SFHVURJKSA-N 373.250 3.999 0 1 FHAF CC[C@@H](C)Sc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587450252 SGBVNDSMFSCNAQ-MAZCYNQFSA-N 356.447 3.865 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)nc1OC)CC2=O 587486863 MVAUWEDXNWDHHE-FQEVSTJZSA-N 357.406 3.638 0 1 FHAF COc1cccc2cc3c(nc12)[C@@H](c1ccccc1-c1cncnc1)NCC3 963054719 JIUDUSYGDSEUJY-HSZRJFAPSA-N 368.440 3.936 0 1 FHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc3cc(O)ccc3c2)N1 963229303 JVCXIZWMJKYWGK-VXKWHMMOSA-N 370.408 3.782 0 1 FHAF COc1ccc(C)cc1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772621108 QNNPICDUSRFWOB-KRWDZBQOSA-N 352.390 3.969 0 1 FHAF CN(C)CCCCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772571999 LZJJRZHWJDHRNP-UHFFFAOYSA-N 369.417 3.592 0 1 FHAF C[C@H]1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)C[C@H](C)N1 14970913 UURQEFJLVUODIL-KBPBESRZSA-N 367.884 3.979 0 1 FHAF C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N(C)C1CCCCC1 15935965 IWBUFPVXWLKKBB-LBPRGKRZSA-N 369.494 3.778 0 3 FHAF CC1=C([C@H](C)c2cccc(Oc3ccccc3)c2)O[C@H]2[C@@H](O)CCN2C1=O 169318285 JEMRWTBDJCHWAI-LNHNDHHWSA-N 365.429 3.806 0 1 FHAF Cc1cc2ccccc2n1CCNC(=O)C1CCC(c2ncccn2)CC1 169351848 NCGCNYUZWYJULJ-UHFFFAOYSA-N 362.477 3.830 0 1 FHAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)[C@@H]1c1cccs1 2460014 WSIRVTNFBYMQFO-ROUUACIJSA-N 363.442 3.692 0 1 FHAF COc1cccc(OC2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)c1 103269866 SZZZSEFVEXYPNO-RTWAWAEBSA-N 366.461 3.804 0 1 FHAF Fc1ccc(CN2CCOC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 2356302492 WRRZIRPNIRYDDT-LJQANCHMSA-N 355.388 3.928 0 1 FHAF COCOc1cccc(CN2CC[C@](C)(Oc3cccc(OC)c3)C2)c1 61898615 RJDPYSYDYYTXIG-NRFANRHFSA-N 357.450 3.721 0 3 FHAF O=C1NC[C@H](CC2CCCCC2)N(CCC23CC4CC(CC(C4)C2)C3)C1=O 199199939 JBSQVOYXUWZCBK-QSVDNLTKSA-N 372.553 3.890 0 3 FHAF COc1ccc(-c2cc(C)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)cc1 299819999 CZMMPGBVMDDMTK-KOMQPUFPSA-N 355.438 3.764 0 1 FHAF COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1N 587749668 PZLAHENNOSTWNI-XLFHBGCDSA-N 365.246 3.803 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)c2ccccc21 587490524 XUUAJPCEDPASRG-NRFANRHFSA-N 351.402 3.572 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1cccnc12 587584915 BYJSHTLFKCUKPS-PGRDOPGGSA-N 359.381 3.981 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(N)CC(C)(C)C2)N1 587745074 JJQLGOGWBPMCEU-BMLIUANNSA-N 353.279 3.980 0 1 FHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587069343 JCLXNOOHUAKVMN-SNVBAGLBSA-N 354.763 3.915 0 1 FHAF CCn1cc([C@@]2(CC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587764128 OIZPMAVBNODEQV-APPDUMDISA-N 366.278 3.992 0 1 FHAF Fc1cnc2[nH]c(-c3cc(I)ccc3F)nc2c1 587182535 KJQRJBANSHKFLF-UHFFFAOYSA-N 357.101 3.508 0 1 FHAF O=C(O)c1cc(Br)cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 586896191 LIQVXPNNOAMMBA-UHFFFAOYSA-N 373.206 3.809 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccncc4)s1)[C@@H](C2)C3=O 587451158 IPPPONAQCNSUET-SCLBCKFNSA-N 350.399 3.702 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)nc3sccn13)CC2=O 587497877 DONYMUWLQPBLOS-AWEZNQCLSA-N 358.419 3.769 0 1 FHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587068767 DBMKRBLEFNHKGW-SNVBAGLBSA-N 365.767 3.823 0 1 FHAF O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)nccc2[nH]1 587070366 HGKOVQGXRDFHNX-UHFFFAOYSA-N 350.603 3.799 0 1 FHAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(-n3cnnn3)cc2[nH]1 587061377 FUQHNSQSDQZBEQ-OAHLLOKOSA-N 354.801 3.722 0 1 FHAF CCN1C(=O)C[C@@H](c2nc3ccc(CO)cc3[nH]2)[C@@H]1c1ccccc1Cl 587060772 DMJLPEWNLLGUOM-KUHUBIRLSA-N 369.852 3.786 0 1 FHAF CC(C)n1cncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587755082 ODAAIUMDUCQMJH-QFYYESIMSA-N 352.251 3.989 0 1 FHAF CC(C)(C)OC(=O)N(Cc1nc2c(Cl)ccnc2[nH]1)C[C@@H]1CCCO1 587195960 KVFPJWTVFINCLZ-NSHDSACASA-N 366.849 3.527 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1nc4ccc(Cl)cc4n1C)[C@@H](C2)C3=O 587424173 XJVCZWRFXQXVOA-KPZWWZAWSA-N 354.793 3.724 0 1 FHAF Nc1ncc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550740 BQQXCDMNJWDXPA-YJBOKZPZSA-N 368.776 3.726 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@]3(C)Cc1ccccc1C(=O)O 963048544 SWBVZWCYTKMGOF-JOCHJYFZSA-N 362.429 3.545 0 1 FHAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccncc2F)N1 963190754 WTVZVYKKWXYLMJ-KGLIPLIRSA-N 374.721 3.581 0 1 FHAF CN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccccc1 5150551 UOVSRZUAARJBLH-UHFFFAOYSA-N 369.467 3.979 0 3 FHAF N=C(N)c1ccc2nc(-c3ccc4nc(-c5ccc(O)cc5)[nH]c4c3)[nH]c2c1 5974177 YNYAGVBDRCQMEU-UHFFFAOYSA-N 368.400 3.763 0 1 FHAF Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCC(=O)O)c1Cl 13438057 QSMQSFSRWWOFAN-UHFFFAOYSA-N 353.205 3.860 0 1 FHAF Cc1ccc(CNC(=O)[C@@H]2CC(c3ccccc3C(F)(F)F)=NO2)cc1 13478521 OLSGLUALQAKBDY-KRWDZBQOSA-N 362.351 3.823 0 3 FHAF O=C(O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccc(Cl)cc12 13675132 MJTGDDLHZUJEBV-UHFFFAOYSA-N 355.777 3.570 0 1 FHAF Nc1nccc(-c2c[nH]c3cc(Br)c(Br)cc23)n1 14947428 BYGIRSJUNICQIC-UHFFFAOYSA-N 368.032 3.732 0 1 FHAF biogenic CN(C)CCCN=c1[nH]c(/C=C/c2ccc(F)cc2)nc2ccc(F)cc12 1857573672 HKWRHMKLOLVLHT-IZZDOVSWSA-N 368.431 3.864 0 1 FHAF O=C(O)CCN1CCCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1 1857597746 OSFJVKZRCBIWFR-KRWDZBQOSA-N 351.406 3.892 0 1 FHAF CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCCC2)[C@@H]1c1cccs1 2460074 ZUMVLQBETUTGHM-ROUUACIJSA-N 354.475 3.671 0 1 FHAF Cc1cccc(Nc2ncnc3ccncc23)c1NCCCn1ccnc1 29133578 AMJXCROVFRQROE-UHFFFAOYSA-N 359.437 3.776 0 1 FHAF OCCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 22937813 WVMPJMHWCBRDFH-PZJWPPBQSA-N 374.887 3.666 0 1 FHAF Fc1ccc([C@H]2C[C@H]3CC[C@@H](N3)[C@@H]2COc2ccc3c(c2)OCO3)cc1 100801369 HAHQKXHPHSTOFJ-NXWXRZEISA-N 355.409 3.858 0 1 FHAF COC(=O)c1ccc(N(C)c2c3ccccc3nc3c2c(C)nn3C)cc1 29037872 XNEVGCRPPZJXQN-UHFFFAOYSA-N 360.417 3.984 0 1 FHAF CC(=O)O[C@@H]1C[C@]2(O)C(C(=O)O)=C(C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 2356506872 QUZURXHTHRMFJE-SXHWCIJUSA-N 364.482 3.697 0 1 FHAF Cc1cc2nc(CO[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3F)[nH]c2cc1C 2356521308 RISOSVMGECRIAR-LPHOPBHVSA-N 367.424 3.559 0 1 FHAF Cc1cc(O)c2c(c1Cl)[C@H]1Oc3cccc(C(=O)O)c3C(O)=C1OC2=O 2356832358 IAOJBNMFQKDFKR-OAHLLOKOSA-N 374.732 3.583 0 1 FHAF CCOC(=O)c1sc(NC(=O)Nc2sc(=S)n(C)c2C)nc1C 27548593 BAWDOENPCYCBKS-UHFFFAOYSA-N 372.497 3.710 0 1 FHAF COCOc1cccc(CN2CC[C@]2(C)C(=O)Nc2ccc(C)cc2)c1 61906145 RPWSXYNJZNHKBS-OAQYLSRUSA-N 354.450 3.581 0 3 FHAF COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]23[C@H](O)OC[C@H]13 32072179 WZNBEJSEYWWDTO-XHECLBSDSA-N 350.499 3.763 0 1 FHAF CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2ON1c1ccccc1 135982022 TYGWXDDSOQBXNU-SLFFLAALSA-N 364.445 3.864 0 1 FHAF CC[C@H](C)[C@H](Nc1nc(-c2ccccc2)cs1)C(=O)NCCCOC 82195247 JFADGNDQVPQENW-YOEHRIQHSA-N 361.511 3.789 0 1 FHAF COc1ccc(F)c(F)c1CN1CC(=O)N(c2ccccc2C)C[C@H]1C 82120388 AQANZMAVYXHQEU-CQSZACIVSA-N 360.404 3.519 0 1 FHAF COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCC(C)C)cc1 96286190 ZNJRNZXFJKLDOI-LNVKXUELSA-N 366.417 3.765 0 1 FHAF Nc1ncc(-c2cc([C@H]3CCOC3)n(C3CC(F)(F)C3)n2)cc1Cl 146486837 YCWPKIULCHKIMZ-VIFPVBQESA-N 354.788 3.655 0 1 FHAF COc1cccnc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587774211 UAGUHGRGOZYQCY-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF O=C1COc2cc3[nH]c(-c4cccc(F)c4C(F)(F)F)nc3cc2N1 587097804 NTINHQFHIBKSEE-UHFFFAOYSA-N 351.259 3.719 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(F)cc(Br)c2[nH]1 587117888 LVIHPEBYVILIBI-UHFFFAOYSA-N 363.112 3.884 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)nc2)N1 587708053 XPKMGMRTSKSPJH-FUXBKTLASA-N 356.626 3.655 0 1 FHAF Cc1ccc(/C=C/c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1F 587146383 KCKIJNJFAJGXMV-VMPITWQZSA-N 350.441 3.933 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCN3Cc4ccccc4N[C@H]31)CC2=O 587485315 RTRBVYIUGKLUTN-YADHBBJMSA-N 364.445 3.706 0 1 FHAF CCOc1cc(C=O)c(OCC)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587946670 YPDMRVCLVDPLRW-HNNXBMFYSA-N 368.336 3.720 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)cccc2F)N1 587718650 IXYUFRWADZOZEQ-PWJLMRLQSA-N 353.210 3.933 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ncn2)N1 587707400 VIQUEQWGJRULHA-GLEZIHRCSA-N 370.653 3.829 0 1 FHAF COc1cc2c3c(c1)O[C@](C)([C@H]1CCN(Cc4ccccc4)C1)[C@@H](C2)C3=O 587435354 FQCFKNJJXPVWAX-WCAVRKLYSA-N 363.457 3.723 0 1 FHAF CSc1ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 587193506 BZMYWEBFEQISDO-CQSZACIVSA-N 364.515 3.802 0 1 FHAF C[C@]1(CN2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598101 WEBIXSSEALEGSD-WIYYLYMNSA-N 353.418 3.598 0 1 FHAF COc1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)nn1-c1ccccc1F 587156415 NGXWNJLQGBYCGW-UHFFFAOYSA-N 362.286 3.981 0 1 FHAF CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587590128 XZDBFYWYBNNANT-NQIIRXRSSA-N 363.369 3.889 0 1 FHAF COC(=O)[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587809998 SOSUFJJNYCPSAH-MIHTYCSTSA-N 370.262 3.537 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(C=O)c2)N1 587823603 VHYPCBBKRYBHFR-XLFHBGCDSA-N 364.214 3.730 0 1 FHAF COc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1OC 587233623 UMEXSEYKRATHJV-RYUDHWBXSA-N 361.442 3.741 0 1 FHAF Cc1ncn(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587578833 RXKFQJUWRKYGGV-NQIIRXRSSA-N 364.401 3.626 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Cl)c(F)cc2[nH]1)C(C)C 586933662 VQNUYJSIRXKHDF-AWEZNQCLSA-N 361.870 3.772 0 1 FHAF CCOC(=O)[C@@H]1[C@H]2Cc3nc4ccc(O)c5c4c(c3[C@H]21)-c1ccccc1C5=O 586992748 SVFGEWWMXSIHSN-JBBXEZCESA-N 371.392 3.601 0 1 FHAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccc(F)c4[nH]3)CC2)cc1 586955629 UDPXHVXLJSSYMX-UHFFFAOYSA-N 373.453 3.579 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(C)nn(C)c1C)O2 587390745 NTAKMAWUMGBNJP-JOCHJYFZSA-N 361.445 3.837 0 1 FHAF O=Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587608911 NJXWVQUZXOASJL-NQIIRXRSSA-N 362.337 3.613 0 1 FHAF CCS(=O)(=O)c1ccc2nc(-c3ccc4ccccc4c3N)[nH]c2c1 587253703 NSYWXVCQKIIWOK-UHFFFAOYSA-N 351.431 3.759 0 1 FHAF COC(=O)c1cc(Br)c2[nH]c(-c3cnc(Cl)s3)nc2c1 587021354 IWNAHEBZNTXDBG-UHFFFAOYSA-N 372.631 3.889 0 1 FHAF Cc1nc(O)nc(S)c1[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962660009 FXHFLDBVRZZNQS-OAQYLSRUSA-N 363.486 3.856 0 1 FHAF CC(C)C[C@H]1C[C@@H](C)[C@]2(C(=O)Nc3ccccc32)N1C(=O)c1ccccn1 1772617270 FQUSMUUUVVIEQL-VVBPWWLESA-N 363.461 3.826 0 1 FHAF NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCC12CC3CC(CC(C3)C1)C2 12726994 FLQJADCPCJPEIP-RQJZOYDLSA-N 353.510 3.540 0 3 FHAF O=C1C[C@@H](c2ccccc2)CC2=Nc3ccc(Cl)cc3S(=O)(=O)[C@@H]12 169715396 QNFHODLDTAWLHL-KPZWWZAWSA-N 359.834 3.715 0 1 FHAF C[C@H]1[C@@H](NC(=O)/C=C/c2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711394 YAWRPTGLZHHKBZ-UJPSQYIKSA-N 366.505 3.776 0 3 FHAF O=c1c2cn[nH]c2c2ccc(-c3ccncc3)cc2n1C[C@@H]1CC1(F)F 205505458 BFOBPTGJRCVESL-ZDUSSCGKSA-N 352.344 3.595 0 1 FHAF CCN(CC)C(=O)CSc1ncnc2c(-c3cccs3)nsc12 1358728 CJWPVUGGJZFAAF-UHFFFAOYSA-N 364.521 3.775 0 3 FHAF O=C1NC(=O)[C@H](Cc2ccc(OCCn3ccc4ccccc43)cc2)S1 1488279 PCAZCAZVHLGDBA-SFHVURJKSA-N 366.442 3.614 0 1 FHAF CNC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN32 100807974 RZFLKYKMLWACOU-KZJIAPPRSA-N 351.277 3.606 0 1 FHAF O=C(c1ccc(-c2ccccc2)cc1)C(Cn1ccnc1)Cn1ccnc1 28874467 XRQKNNMEMXXTEG-UHFFFAOYSA-N 356.429 3.946 0 1 FHAF CNCc1cc(-c2ccccc2C)n(S(=O)(=O)c2ccc(C)cc2)c1 115355639 APKYNXRYTUZDCB-UHFFFAOYSA-N 354.475 3.728 0 1 FHAF COC(=O)C1=CCC[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]12 2356759227 UEFMMKXOAVFFCD-CFSSXQINSA-N 366.461 3.605 0 1 FHAF COc1cc([C@H](OC(C)=O)c2ccc3c(ccn3C)c2)cc(OC)c1OC 40422956 MJIZVVHDVMJOHO-HXUWFJFHSA-N 369.417 3.857 0 1 FHAF CC[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 223658828 VIDBYKDOYINNBI-CYBMUJFWSA-N 353.495 3.781 0 1 FHAF COc1ccccc1[C@@H]1c2c(n[nH]c2C)Oc2nc3c(c(N)c21)CCCC3 299826991 NACZNKYLFXJQST-QGZVFWFLSA-N 362.433 3.869 0 1 FHAF O=C(O)c1cc(F)cc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005187 BHKPFMLSPRGNRE-UHFFFAOYSA-N 370.565 3.878 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C)c(C)c(O)n1 587862907 LBZAKUPJCTVYFJ-UHFFFAOYSA-N 364.327 3.679 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCc4c1ccc(OC)c4Cl)[C@@H](C2)C3=O 587423026 SKECANCTRSUTKK-XOBRGWDASA-N 356.805 3.946 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(Cl)cc1)O2 587377430 IHBWRKLTASMIKX-IBGZPJMESA-N 359.809 3.956 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)cccc1-n1ccnc1)[C@@H](C2)C3=O 587422823 GCCNEXQQFGAEAL-LHSJRXKWSA-N 364.376 3.683 0 1 FHAF Cc1nc2[nH]c(/C=C\c3ccccc3C(=O)O)nc2cc1Br 586882571 YGLZYSCUFHJEQM-SREVYHEPSA-N 358.195 3.897 0 1 FHAF COc1cc2c3c(c1)O[C@](C[C@H]1CCOC1)(c1ccccc1)[C@@H](C2)C3=O 587449432 BMOAVOYPFAYLBA-JVJLVOBOSA-N 350.414 3.765 0 1 FHAF Oc1nc(O)c2cc(Cc3ccccc3)c(CCc3ccccc3)nc2n1 587560719 DTKYENJBECYFBS-UHFFFAOYSA-N 357.413 3.812 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(N(C)CC(F)(F)F)CC1)O2 587380082 AAEGOYIYPTUNKO-UHFFFAOYSA-N 356.388 3.718 0 1 FHAF O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccc(F)cc2)cs1 587923142 QUYXFXKHBWTTEM-UHFFFAOYSA-N 352.390 3.788 0 1 FHAF Cn1cc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2n1 587578855 BKNHOIGHRFHQQS-KNQAVFIVSA-N 372.380 3.982 0 1 FHAF FC(F)=C(C[C@H]1CCCN1)c1nc2c(F)cnc(Br)c2[nH]1 587088547 OLQZSGJXGSWYIO-ZCFIWIBFSA-N 361.165 3.609 0 1 FHAF Cn1ccnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339273 FOKZUJADJXSWMC-YLJYHZDGSA-N 352.365 3.539 0 1 FHAF Cc1cnc2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2c1 587019921 ZXEZYPPWRHDKLI-UHFFFAOYSA-N 355.448 3.627 0 1 FHAF NC(=O)Nc1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587242428 SJZFRHHHNQFNNF-UHFFFAOYSA-N 371.269 3.770 0 1 FHAF CC(C)c1nn(C)c2c1[C@@](c1ccccc1)([C@@H](O)c1ccccc1)NCC2 962922398 WRHGUBXBIIQULD-GOTSBHOMSA-N 361.489 3.666 0 1 FHAF CN1C(=O)C[C@H]2CN[C@@H](c3cc(-c4cccc(F)c4)no3)c3cccc1c32 963025292 JTPBWRGSVUJPMY-YEJXKQKISA-N 363.392 3.623 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc([C@H]4CCCO4)s3)c3cccc1c32 963038580 WISRMALRSIGJJK-URFZZILJSA-N 354.475 3.742 0 1 FHAF COCCn1c(C)c(C)c([C@H]2NCCc3c(OC)ccc(Cl)c32)c1C 963259712 TVNMDMZBYOYMHT-HXUWFJFHSA-N 362.901 3.957 0 1 FHAF COc1ccc(NC(=O)[C@H]2C(C)=Nc3[nH]ncc3[C@@H]2c2ccco2)cc1 169724241 XGLRBTZMZXTUSP-DLBZAZTESA-N 350.378 3.504 0 1 FHAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=S)c2nc1NC(C)(C)C 206123107 ZWNVJONXZHCMSF-UHFFFAOYSA-N 365.506 3.965 0 1 FHAF COc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1 1857551814 IAQUJSFJRPVUFB-UHFFFAOYSA-N 359.472 3.715 0 1 FHAF CC(C)=CCn1c2c(ccc1=O)[C@@H](NCCc1ccc(O)cc1)CCC2 13743318 KWEZMHIIEJQCJR-FQEVSTJZSA-N 352.478 3.730 0 1 FHAF O=C(c1ccc(Oc2ccc(F)cc2)cn1)N1CCCN(C2CCC2)CC1 53276567 CYZQWEFZTAKFND-UHFFFAOYSA-N 369.440 3.713 0 1 FHAF CCOc1ccccc1-c1nc(C(=O)NCc2ccc(CO)cc2)cs1 82069775 SFFHQRDROZMJCA-UHFFFAOYSA-N 368.458 3.631 0 1 FHAF COc1cccc(-c2cc(NCc3ccc(OC)c(OC)c3)ncn2)c1 82161176 FXYYKFJKRDKQQB-UHFFFAOYSA-N 351.406 3.782 0 1 FHAF C[C@@H]1SC2(CCCCC2)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 95564342 XYWHBNHUPXIULS-IWUURBKTSA-N 362.539 3.858 0 1 FHAF COc1ccc(-c2cccc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1 96930123 HRJHGGVDYWORLR-UHFFFAOYSA-N 367.401 3.539 0 1 FHAF CCCN(CC)C(=O)c1cn(C)nc1OCc1ccc(C(F)(F)F)cc1 98083043 PFCIIZHQZGCRNS-UHFFFAOYSA-N 369.387 3.890 0 1 FHAF Cc1cccc(NC(=O)[C@@H]2C(=O)N3c4ccccc4Cc4cccc2c43)n1 100025250 HSCLGBUAHNYJAN-LJQANCHMSA-N 355.397 3.695 0 1 FHAF COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)c1OC 103539009 UALMEWUHQFMSFS-OAHLLOKOSA-N 372.450 3.689 0 1 FHAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4ccncc4)n3)ccn2)CC1 169703635 WKBAKULLHSZMMK-KDURUIRLSA-N 374.492 3.833 0 1 FHAF Cc1cc(C2CC2)c([C@@](C)(O)c2nc3ncc(C#N)cc3[nH]2)c2cc[nH]c12 219493335 UEWBFGZWVFPGQW-OAQYLSRUSA-N 357.417 3.753 0 1 FHAF C[C@]1(c2ccoc2)C[C@@]2(C)[C@H](CC[C@@]34COC(=O)C3=CC=C[C@H]42)C(=O)O1 238754415 FNXLHOABSOYWTJ-MGRAMIEISA-N 354.402 3.514 0 1 FHAF CCCCC[C@]1(C)C=C[C@H]2[C@H](O)C[C@H](O)[C@@H]2CC=CCCCC(=O)O1 253632553 HWOPMIJWXGQTJL-GQUPQBGVSA-N 350.499 3.913 0 1 FHAF COC(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587004568 XCNRYAWUKFOVAI-UHFFFAOYSA-N 371.194 3.655 0 1 FHAF O=C(Nc1ccccc1Cl)c1nc2c(Br)nccc2[nH]1 587060597 PRFAQUWPGJPRNE-UHFFFAOYSA-N 351.591 3.626 0 1 FHAF O=C(c1c(F)cccc1F)c1c(CO)oc2cc(Br)cnc12 587276208 JYGNZCSGSFCRBJ-UHFFFAOYSA-N 368.133 3.592 0 1 FHAF Cn1ccnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339266 FOKZUJADJXSWMC-FXAWDEMLSA-N 352.365 3.539 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccccc1)([C@H]1CCCNC1)O2 587398887 GGPOWUPEBUANFA-FDDCHVKYSA-N 364.489 3.914 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(C)cc1)[C@@H](C2)C3=O 587446815 GHMFBUAWLYPBTM-KKSFZXQISA-N 352.386 3.511 0 1 FHAF COc1cc2c3c(c1)O[C@@](/C=C(\C)N(C)C)(c1cccs1)[C@@H](C2)C3=O 587450864 LKGZQTWPBJYTKQ-CNWUCQQOSA-N 355.459 3.865 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc(C(=O)O)c1)CC2=O 587476837 GMOFDLYAJMGGTB-SFHVURJKSA-N 356.374 3.758 0 1 FHAF CC(C)Cn1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587580807 JIBBWEQXDBGKRS-WIYYLYMNSA-N 364.401 3.948 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc2c(nn1)CCC2 587863190 TYOBTIYZFZKZGU-UHFFFAOYSA-N 360.339 3.845 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(OC)nc1 587872609 PGWHMRTYXMATCJ-UHFFFAOYSA-N 372.425 3.737 0 1 FHAF CCNC(=O)Nc1cn(-c2ncccc2C)c2cc(-c3cccnc3)cnc12 653757234 YQHLEKVVLNHQBW-UHFFFAOYSA-N 372.432 3.932 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)OC)c(OC)c2)N1 962940940 DGZUTBFOKGLIHF-XOBRGWDASA-N 364.445 3.977 0 1 FHAF Cc1ccc2c(c1)cc([C@@H]1N[C@@H](C(=O)O)Cc3c1cnc1ccccc31)n2C 963239468 WYOCUBMIEQZNDF-DENIHFKCSA-N 371.440 3.723 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(F)cc3F)C2)cc1 1772611387 UXUBUUNGOBKLBJ-UGSOOPFHSA-N 360.404 3.820 0 1 FHAF COc1cccc(-c2cc3ccc4c(c3oc2=O)C[C@@H](C(C)(C)O)O4)c1 2382222125 OMZQQHVGGYXEMA-SFHVURJKSA-N 352.386 3.543 0 1 FHAF c1nc(NC[C@H]2CCCOC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 66166563 NWQZSQAVEPZDBP-CQSZACIVSA-N 363.417 3.864 0 3 FHAF COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N(C)C)c2c1 27198096 CDYZJADXQRRCAY-UHFFFAOYSA-N 363.248 3.997 0 1 FHAF CNC(=O)c1cccc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1C 28528363 RQRDRZBTWOPNBB-UHFFFAOYSA-N 350.340 3.934 0 1 FHAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1cccs1)CCC3 28968892 CRCSQEXBDRHMBT-UHFFFAOYSA-N 353.447 3.914 0 1 FHAF COc1cc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc(OC)c1OC 29309667 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365.462 3.813 0 1 FHAF CO[C@@H]1CC[C@H]2CN(CCc3ccccc3)[C@@H]1CN2Cc1ccccc1 96318626 WYUPWHUGPAKEOJ-YTFSRNRJSA-N 350.506 3.593 0 1 FHAF CC1(C)Oc2ccc(C3=CCCCCC3)cc2[C@@]2(COC(N)=N2)C12COC2 148952520 YNAMZKYOBIDWHW-QFIPXVFZSA-N 368.477 3.762 0 1 FHAF CCCSc1ncccc1C(=O)N(C)[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](O)(C3)C2 254134694 MYUWJGFKFGXFOP-UOCXPPKBSA-N 360.523 3.595 0 1 FHAF COc1ccc(-c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)cc1 2382216498 KWYJPXOTHJCLSG-UHFFFAOYSA-N 366.417 3.698 0 1 FHAF CN(C)Cc1ccc(CCn2ccc(OCc3ccccc3)cc2=O)cc1 473102928 LSYFVJFHTOYNRT-UHFFFAOYSA-N 362.473 3.732 0 1 FHAF O=C(Nc1ccc(N2CCC[C@@H](C(=O)O)C2)cc1)c1cc2ccccc2[nH]1 653837656 LINBIYMQPSCUJN-OAHLLOKOSA-N 363.417 3.721 0 1 FHAF CNc1ncccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587743448 OPBDZNPADPPVEU-BJOHPYRUSA-N 350.235 3.649 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)c3ccccc3)CC1)O2 587393412 IBNLCKFPWXPWOT-QFIPXVFZSA-N 364.445 3.608 0 1 FHAF Cc1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2n1 587172324 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PEKKNDPAZZVNMW-QFIPXVFZSA-N 368.477 3.696 0 1 FHAF O=c1cc(-c2cnn(Cc3ccc(C(F)(F)F)nc3)c2)[nH]c2ccccc12 1857602107 VOMIHEBOLNAYCQ-UHFFFAOYSA-N 370.334 3.854 0 1 FHAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N(C)C 769326 JQSYGZFHFUYJQF-AEFFLSMTSA-N 358.825 3.529 0 1 FHAF COc1ccc(Nc2nn3c(=O)c4c(C)c(C)sc4nc3s2)cc1 1660905 APZSQZKGJVLXIA-UHFFFAOYSA-N 358.448 3.735 0 1 FHAF CCN1CC[C@@]2(C)c3cc(OC(=O)NCc4ccccc4)ccc3C[C@@H]12 29225732 PVMNTYXKDFRXKP-IRLDBZIGSA-N 350.462 3.883 0 1 FHAF COc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)co2)cc1OC 27107515 NTANCIWKMGUPAC-UHFFFAOYSA-N 350.374 3.911 0 1 FHAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43[C@@H](O)CCl)[C@@H]1CCC2=O 29468256 KCWRWKGGJCNOJN-FCZHJMSUSA-N 350.886 3.667 0 1 FHAF Cc1ccc([C@@](O)(Cn2ccnc2)c2ccc(Br)cc2)cc1 26849234 HUCVBLUQXJFCQE-SFHVURJKSA-N 357.251 3.890 0 1 FHAF O=C(O[C@@H]1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21 28244612 VDRDKKLNMTZAMF-BRBKRDGESA-N 358.441 3.657 0 1 FHAF CN1CCCN(CCn2ccc3ccc(OCc4ccccc4)cc32)CC1 22939914 MSGXQUPROSRISX-UHFFFAOYSA-N 363.505 3.858 0 1 FHAF CC(=O)N[C@H]1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 26579912 HTPOYPQTFIKUDH-QFIPXVFZSA-N 350.462 3.757 0 1 FHAF NCC[C@H](C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1 63298353 XYZNKCSDQRKAFR-ZDUSSCGKSA-N 363.248 3.941 0 1 FHAF CC(=O)[C@@]12CCC(C)=CC[C@@]13CC[C@H]2[C@](C)(C=CC=C(C)C(=O)O)OC3=O 2356381579 RLMSZFYLXGZYPL-AGOPTVSRSA-N 372.461 3.991 0 1 FHAF CSc1ccc(OCc2nnc3sc(-c4ccc(N)cc4)nn23)cc1 28708997 AKXMEMVAFPZRLZ-UHFFFAOYSA-N 369.475 3.736 0 1 FHAF Cc1csc(CNc2ncnc3ccc(-c4ccc(C(=O)O)o4)cc23)n1 66166966 HCUJHWMIXIFOCI-UHFFFAOYSA-N 366.402 3.965 0 1 FHAF CCNC(=O)[C@]1(C)CCCN(C(=O)c2cc(-c3cccs3)oc2C)C1 61925825 MKQJEIWVFPSQGT-LJQANCHMSA-N 360.479 3.695 0 3 FHAF CC1=C[C@H](CNC(=O)NC2CCCCC2)[C@H](C(C)C)C[C@H]1CC(=O)O 2356759796 YWADQNBRWLINJE-JZXOWHBKSA-N 350.503 3.948 0 1 FHAF Cn1c(NCCc2ccncc2)nc2cc(-c3ccccc3)sc2c1=O 61903909 NOSHQPULOXWKDO-UHFFFAOYSA-N 362.458 3.712 0 3 FHAF COc1ccc([C@H](c2ccc3c(c2)OCO3)[C@H](C)[C@@H](C)CO)cc1OC 15119350 KGDBNDDWKNDHSU-PXIJXODZSA-N 358.434 3.829 0 1 FHAF biogenic Cc1cnc(Oc2ccc(-c3c(C)c(=O)[nH]c(=O)n3C)c(C)c2)c(Cl)c1 220976084 QDDZCKNTJUFORZ-UHFFFAOYSA-N 371.824 3.507 0 1 FHAF Cn1cc(Nc2ncc(C(F)(F)F)c(N[C@H]3C[C@@H]4CC[C@H]3C4)n2)cn1 84688709 RDFBXLTVSCZKAQ-NRUUGDAUSA-N 352.364 3.573 0 1 FHAF CC(C)=CCC[C@H](C)/C=C/C=C(\C)C(=O)NCCc1cn(CCCN)cn1 198594281 YAFSLEGSHVYJSO-IQNHLPJQSA-N 372.557 3.776 0 1 FHAF CC(=O)N1N=C(Nc2nc3ccccc3s2)C[C@@H]1c1ccc(O)cc1 45258724 KESWMEJJWKYDRD-OAHLLOKOSA-N 352.419 3.721 0 1 FHAF CC(=O)OC[C@]1(O)C[C@]23CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 473090845 PTVDSZPMJVQUCE-VRLLHIJOSA-N 362.510 3.892 0 1 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H](C)CN(C)C 299887423 YUUMXWVTUXKIMX-ZTFGCOKTSA-N 365.543 3.828 0 1 FHAF COC(=O)C[C@@H]1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587811244 VZXVRGVTABOWFP-RLFDGXBXSA-N 370.262 3.681 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccoc1)CC2=O 587478650 HZBWFFWWVKJFIS-FQEVSTJZSA-N 358.390 3.752 0 1 FHAF O=C(O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006124 HZYVFGPUGBTVGP-UHFFFAOYSA-N 356.179 3.943 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c(C)n[nH]c1C 587863511 MIKFOHHGDSKNJA-UHFFFAOYSA-N 364.327 3.606 0 1 FHAF C[C@@H]1C[C@]2(CCN1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349383 YRUBALQHOVDDLH-DYHNYNMBSA-N 355.409 3.743 0 1 FHAF OCc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587012265 HTNFGOYVLXKBEQ-UHFFFAOYSA-N 350.241 3.819 0 1 FHAF O=C1C[C@@H]2C[C@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350094 HGMVMHYNRFKRND-ZPYPVQIUSA-N 352.361 3.628 0 1 FHAF COc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1C 587149174 MIUXPCURDSXSNJ-ZDUSSCGKSA-N 371.387 3.674 0 1 FHAF CC(C)Oc1cc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2cc1Br 586907159 SVFXARFXXMVLMJ-VIFPVBQESA-N 367.243 3.922 0 1 FHAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)F)n1 587558971 YTTKEDZCKUXXAL-KDOFPFPSSA-N 372.327 3.766 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nccn23)N1 587772707 GFQYROKFPKRUIZ-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccnc(Cl)c2[nH]1 587041505 CQSBNYMDXWHBQF-LLVKDONJSA-N 365.245 3.920 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587234060 VYFXHVDQWAQSFR-QWHCGFSZSA-N 373.453 3.885 0 1 FHAF Cc1nn(C)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587753222 AIXSJAKIITZLJN-ZKANADHPSA-N 352.251 3.562 0 1 FHAF CC1=C(c2ccc3nc([C@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)NNC(=O)C1 587162583 JPJRNBBFWVKQIR-CVEARBPZSA-N 362.408 3.729 0 1 FHAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C(F)(F)F)cc3[nH]1)C2 587246522 GXKXQBFQVJOTIK-GOSISDBHSA-N 361.367 3.933 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NC1CCC1 587864328 OOBCRVKOVPFLEZ-UHFFFAOYSA-N 355.385 3.853 0 1 FHAF C[C@@H](Sc1ncccn1)c1nc2c(F)cnc(Br)c2[nH]1 586961220 GKXJVXOWBOAHNR-ZCFIWIBFSA-N 354.208 3.503 0 1 FHAF O=C(O)CCCC[C@@]1(c2cccc(F)c2)NCCc2c(C(=O)O)cccc21 963121805 LSQKUFVBXLYDCQ-NRFANRHFSA-N 371.408 3.558 0 1 FHAF Cc1cc2c(cc1O)[C@H](c1cccc3c(F)cccc13)N[C@H](C(=O)O)C2 963494168 XXZZRMWKZNQUCO-ICSRJNTNSA-N 351.377 3.681 0 1 FHAF CCOC(=O)c1cc2c(OCCCNCc3cccnc3)cccc2o1 5844734 YUPKKOHDTWNQEB-UHFFFAOYSA-N 354.406 3.563 0 1 FHAF CC1CCN(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 1857561935 CROYOINZIKKLAJ-UHFFFAOYSA-N 370.415 3.922 0 1 FHAF CCOc1ccccc1CNc1nc(C)[nH]c2ncc(-c3cc[nH]c(=N)c3)c1-2 1857774866 JCJWCXBSDFGDSJ-UHFFFAOYSA-N 374.448 3.703 0 1 FHAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 4043183 VPFOJNUOWNTJNQ-HKUYNNGSSA-N 371.506 3.822 0 1 FHAF FC(F)(F)c1ccccc1-c1nc(N2CCNCC2)c2ccccc2n1 4267547 AVSMVCCWSJPHSJ-UHFFFAOYSA-N 358.367 3.725 0 1 FHAF C[C@H](CNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1)c1ccccc1 6820954 GSJKIVYSSKMXHS-CYBMUJFWSA-N 355.825 3.847 0 1 FHAF NCCCNc1nc(-c2ccccc2Br)cc2ncccc12 13489155 OHSAWSYVVYVMER-UHFFFAOYSA-N 357.255 3.820 0 1 FHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccccc1OC(F)F 19800352 IORNLQZROQZEMD-WTNDLDAUSA-N 367.348 3.709 0 1 FHAF COc1ccc(OCCCCN)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 28008092 VMAUGHPDYOICPV-FQEVSTJZSA-N 372.490 3.970 0 1 FHAF O=C(O)C[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1 35931196 LZYWSNBLTBFPDC-NVXWUHKLSA-N 368.820 3.734 0 1 FHAF Cc1c(CN2CCN(C(=O)Nc3cccnc3)CC2)sc2ccccc12 43014966 BYSRXACITVZGHQ-UHFFFAOYSA-N 366.490 3.954 0 1 FHAF COc1cccc(CNC[C@H](O)Cn2c3c(c4ccccc42)CCCC3)c1 73157239 BIJAMTWYLMOWSE-SFHVURJKSA-N 364.489 3.679 0 1 FHAF C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1 218013026 GVLYUASGCWQGPF-UHFFFAOYSA-N 365.368 3.933 0 1 FHAF c1cc2cc(c1)CNc1cc[n+](cc1)CCCCC[n+]1ccc(cc1)NC2 299821020 ILANRBAYOCLSIT-UHFFFAOYSA-P 360.505 3.670 0 1 FHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)c(F)ccc3[nH]2)cc1 586939391 NVNLYYWRSXYKML-NSHDSACASA-N 361.442 3.754 0 1 FHAF COC(=O)c1cccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586979436 MIROZILKMSKTEH-UHFFFAOYSA-N 366.602 3.827 0 1 FHAF N=c1[nH]c2c(s1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586993142 INGXYTQINGVNHG-UHFFFAOYSA-N 371.421 3.786 0 1 FHAF Clc1ccc(Br)nc1-c1nc2cc3c(cc2[nH]1)OCO3 587005548 ZPHBTYVGEDYVQS-UHFFFAOYSA-N 352.575 3.770 0 1 FHAF Cc1nc(COc2cccc(-c3nc4ccc(C(N)=O)cc4[nH]3)c2)cs1 587020385 QNDFGTNZWJHZIX-UHFFFAOYSA-N 364.430 3.673 0 1 FHAF N=c1[nH]c2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc-2c(Cl)[nH]1 587052282 ZUYKPZMVXUSEIU-PHDIDXHHSA-N 354.628 3.948 0 1 FHAF Oc1nncc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587151090 PSCWHFZPLUEJQH-MRXNPFEDSA-N 354.316 3.505 0 1 FHAF Oc1nccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587183528 XLFDGABGRMBFIO-UHFFFAOYSA-N 371.565 3.589 0 1 FHAF CN[C@@H](c1cccnc1)c1nc2cc(Cl)cc(Br)c2[nH]1 587222996 NCFDMYNNMZOFCJ-LBPRGKRZSA-N 351.635 3.683 0 1 FHAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1C 587342955 QVHFNHYVRRYEGG-TZIWHRDSSA-N 366.392 3.848 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3C[C@@H]2CC3=O)[C@@H]1c1ccc(F)cc1 587350059 HGMVMHYNRFKRND-KAWZKRMWSA-N 352.361 3.628 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2OC(=O)[C@@H]1C 587378584 CVMGFUNEBBLOIM-APBUJDDRSA-N 357.793 3.646 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)cc(C=O)c1O)[C@@H](C2)C3=O 587449291 IVUOBUWWERQWLQ-YCRPNKLZSA-N 366.413 4.000 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(CC)ccc21 587485801 QYTAYFHYNFQNLG-OAQYLSRUSA-N 351.402 3.720 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccccn1)([C@H]1CCCO1)CC2=O 587492001 VQOSZIGDVWAFRH-TZIWHRDSSA-N 353.418 3.779 0 1 FHAF COc1cc(O)cc(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523493 JHCUUMCMYMQLMK-LJQANCHMSA-N 354.402 3.995 0 1 FHAF C[C@@]1(C(=O)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602938 LREDZRUGHWQBHL-PGRDOPGGSA-N 360.365 3.995 0 1 FHAF CC(=O)C[C@@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587718188 HUXCLHAWSAHBOD-NXSYQRQQSA-N 350.178 3.562 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnc[nH]1 587860482 YDCDEUUDEOXYKT-UHFFFAOYSA-N 351.193 3.667 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)NCCc1cccs1 587873310 YPCXSYODHIGDCW-UHFFFAOYSA-N 359.426 3.950 0 1 FHAF CCOc1cc(C(C)=O)c(OCC)n1-c1ccnc(Br)c1 587940807 POQJSKIVLDCIOV-UHFFFAOYSA-N 353.216 3.635 0 1 FHAF COc1cc(CN2CCO[C@H](COc3cccc(F)c3)C2)ccc1Cl 653714966 JUYWJQVJQQTCOE-KRWDZBQOSA-N 365.832 3.768 0 1 FHAF Nc1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(N)c1 962646906 VKJCLDDAGNZLED-GBXCKJPGSA-N 370.500 3.687 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@](CC(=O)C(C)(C)C)(C(C)(C)C)NCC2 962926402 CCVNXIAUNSKAMV-JOCHJYFZSA-N 358.526 3.781 0 1 FHAF Cc1ccc(Br)c([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963039666 ZJODUKBYZKFDFP-BLVKFPJESA-N 371.278 3.900 0 1 FHAF CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@]2(NCCc3c(C)ccnc32)C1=O 963071516 JJMHCFKUBLICIG-WZONZLPQSA-N 360.457 3.517 0 1 FHAF CN1CCc2c(Br)cccc2[C@@H]1c1ccc(F)cc1C(=O)O 963279700 JARKZLHYMZEGOR-MRXNPFEDSA-N 364.214 3.864 0 1 FHAF N=C(N)NC(=N)SCCCOc1c(Cl)cc(Cl)cc1Cl 1772620224 INXDWVWEVIREFU-UHFFFAOYSA-N 355.678 3.567 0 1 FHAF COc1ccc(-c2cnn(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1 1857764471 FYZKXLCQCNJVTH-UHFFFAOYSA-N 354.406 3.789 0 1 FHAF Cc1cc(C(=O)O)nc(N2CC[C@@H](COc3ccccc3C(C)(C)C)C2)n1 2382222164 CGSPTCARSREFEK-OAHLLOKOSA-N 369.465 3.686 0 1 FHAF O=C(c1ccc(Cl)cc1Cl)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 74377658 OAOJKNYWNGHRMK-HOCLYGCPSA-N 361.228 3.869 0 3 FHAF CCn1c(=O)cc(SCC(=O)Nc2ccc(Cl)cn2)c2ccccc21 4936717 ZJQOTBQOCUYOLU-UHFFFAOYSA-N 373.865 3.801 0 1 FHAF CCOC(=O)N1CCN(CCCOc2ccc(-c3cccs3)cc2)CC1 13859969 WFRROHNULMGADM-UHFFFAOYSA-N 374.506 3.958 0 1 FHAF COc1cc(-c2oc3c(C)c(OC)c(C)c(O)c3c(=O)c2OC)ccc1O 14641583 BTLJJJSGZVZCGB-UHFFFAOYSA-N 372.373 3.514 0 1 FHAF biogenic COc1cc([C@H]2CCc3ccc(OC)c(OC)c3O2)cc(OC)c1OC 14643198 PAGHIDUEYGMXRM-CQSZACIVSA-N 360.406 3.796 0 1 FHAF endogenous,in-man COc1ccnc(CCc2nc3nccc(OCCc4ccccc4)c3[nH]2)c1 34374024 QNXDIRKAMJNSMJ-UHFFFAOYSA-N 374.444 3.768 0 1 FHAF Cc1ccccc1C(=O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1 36399151 QDZQRPRNPNZYAE-UHFFFAOYSA-N 355.397 3.868 0 1 FHAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23CN1C 39205635 QESDNCVYXJTJRY-NFKVXLAQSA-N 372.597 3.780 0 1 FHAF biogenic O=C(CC1CCCCC1)Nc1cccc(OCCCN2CCOCC2)c1 40866798 FZBRFVOKJYIMPC-UHFFFAOYSA-N 360.498 3.697 0 1 FHAF CC1(C)CCc2cc(-c3coc4cc(O)cc(O)c4c3=O)cc(O)c2O1 45505848 LGPCDNFADMBMDD-UHFFFAOYSA-N 354.358 3.680 0 1 FHAF biogenic O=C(Cc1ccccc1)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72185866 VCBPWRUDXNKPCA-IBGZPJMESA-N 371.362 3.944 0 1 FHAF CCCN1C(=O)N2C[C@H](CC)N=C2c2[nH]c(C34C[C@H]5CC3C[C@@H](C5)C4)nc21 100642051 KWTCMZRWMFFRBW-CHGICKAMSA-N 367.497 3.678 0 1 FHAF Cn1nccc1C(=O)Nc1ccc(-c2cc(Cl)ccc2Cl)c(N)n1 113428795 JNRVMLYCWHMQPS-UHFFFAOYSA-N 362.220 3.623 0 1 FHAF c1ccc2nc(N3CC(c4nccnc4N4C[C@@H]5CCC[C@H]5C4)C3)ccc2c1 139363662 HHZVYIJDUWINPD-ROUUACIJSA-N 371.488 3.865 0 1 FHAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1 140651155 KCOCTIZMUOBRME-UHFFFAOYSA-N 366.364 3.962 0 1 FHAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CCCN(C)C 169315340 PSDDVCRRAFNWKI-GLYQVZKVSA-N 364.533 3.897 0 1 FHAF CC(C)C[C@H]1CC(=O)[C@@H](C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1 169727333 CBBQHZCZSZXBCN-ICSRJNTNSA-N 370.493 3.793 0 1 FHAF O=S(=O)(NC1CCC(CCO)CC1)c1ccc(-c2ccccc2)cc1 200216319 JLEMIOGDJBMFAI-UHFFFAOYSA-N 359.491 3.573 0 1 FHAF COc1ccc(Cc2cnc(O)c3cc(OC)c(OC)cc23)cc1OC 238781139 PIZWDXJKJLBPRB-UHFFFAOYSA-N 355.390 3.566 0 1 FHAF COc1ccc(-c2cc3cc([C@@H](O)CCO)cc(OC)c3o2)cc1OC 473158159 VMUBFTONFYNXIR-HNNXBMFYSA-N 358.390 3.541 0 1 FHAF C[C@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC[C@H]1C(=O)O 586989961 HBIOOYUFXZRCDW-GHMZBOCLSA-N 359.381 3.902 0 1 FHAF Fc1cnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 587018996 SNLJDBXRVAWTGX-UHFFFAOYSA-N 368.393 3.583 0 1 FHAF Cc1ncsc1CCc1nc2c(Cl)c(Br)cnc2[nH]1 587027133 PPOAQXIBIPHEQX-UHFFFAOYSA-N 357.664 3.924 0 1 FHAF N[C@@]1(c2nc3cc(F)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F 587156809 QCRIMUYAFOLMLN-QFYYESIMSA-N 364.193 3.945 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(C(F)(F)[C@@H](F)C(F)(F)F)[C@@H](C2)C3=O 587419312 FUEQTEWYABACKO-CKLFPEKLSA-N 354.246 3.737 0 1 FHAF Oc1nc(O)c2cc3c(nc2n1)-c1cccc(OCc2ccccc2)c1C3 587559138 FOMJHYUSAFCZSE-UHFFFAOYSA-N 357.369 3.586 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ncccc12 587587367 GEYOMQSYQJXUEM-YLJYHZDGSA-N 358.353 3.971 0 1 FHAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587588223 PSLWZAKFIMOVPX-GHTZIAJQSA-N 363.369 3.889 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(C)c2C(F)F)N1 587717712 MCSJDIRQRHBVLL-CPFSXVBKSA-N 374.204 3.883 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3ccccc3n2)N1 587776356 WWNJEORVKVSWNL-BMLIUANNSA-N 360.230 3.860 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C(=O)O)cc1 587868432 LEZZKYGKCCXAJF-UHFFFAOYSA-N 363.295 3.660 0 1 FHAF COC(=O)c1cc(-n2c(OC)ccc2OC)c(Cl)cc1Br 587937251 OODCFJMNHGQLRZ-UHFFFAOYSA-N 374.618 3.697 0 1 FHAF COc1cc(-c2ccc3nnc(-c4ccoc4)n3c2)cc(OC)c1OC 653679372 GXMPNYWBBVVJGM-UHFFFAOYSA-N 351.362 3.682 0 1 FHAF COc1cc(Nc2nc3c(Cl)ncnc3s2)cc(OC)c1OC 653835455 NIQZYMYTVFSKRC-UHFFFAOYSA-N 352.803 3.509 0 1 FHAF COC(=O)C[C@]1(c2ccc(O)cc2)NCCc2c(Cl)cc(Cl)cc21 963120566 KFOWLOFJAOICLB-GOSISDBHSA-N 366.244 3.651 0 1 FHAF CC(C)CCN1CCC(CN2C(=S)NC[C@@H]2Cc2ccccc2)CC1 61936203 DAGUDXMSSUAEPN-FQEVSTJZSA-N 359.583 3.546 0 3 FHAF CC1CCC(C(=O)N[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C(C)C)CC1 3895677 QKQYGRICRFJSOM-IMNCWOROSA-N 350.547 3.894 0 1 FHAF CCc1ccc(CNC(=O)CCC(=O)n2ncc3cc(Cl)ccc32)cc1 6791061 SQOWHKCJTZHHNI-UHFFFAOYSA-N 369.852 3.989 0 1 FHAF COc1cc2c(cc1OC)C(/C=C(\O)c1ccc(NC(C)=O)cc1)=NCC2 101775433 KHJZDOOOABXHLR-UNOMPAQXSA-N 366.417 3.607 0 1 FHAF CCCc1c(OCCCCCCCc2nnn[nH]2)ccc(C(C)=O)c1O 27733324 QSGASMCSIVMQJN-UHFFFAOYSA-N 360.458 3.632 0 1 FHAF CC(C)[C@H]1OC(=O)O[C@]1(Cn1cncn1)c1ccc(Cl)cc1Cl 26009073 TYQWQKATPFOXDZ-UKRRQHHQSA-N 356.209 3.672 0 1 FHAF COC(=O)CC1=C[C@H]2C[C@H]3[C@@](C)(CCC4=CC(=O)OC4)[C@H](C)CC[C@]13CO2 2356598395 OPAXJAJPWSLTMT-RSJJOVQTSA-N 374.477 3.581 0 1 FHAF COC(=O)[C@]1(C)[C@H]2C=CC3=CO[C@H](OC(=O)CC(C)C)[C@H]4CC[C@@H]1[C@@]34C2 2356668888 FNLVWVNGNLUSMJ-KZULNFLSSA-N 360.450 3.598 0 1 FHAF COc1ccc(C(=O)CSCc2cc(=O)oc3cc(OC)ccc23)cc1 64541182 QAUMCNZGMDMKAB-UHFFFAOYSA-N 370.426 3.926 0 1 FHAF Cc1csc(-c2nc(CCCC(=O)O)[nH]c2-c2ccc3c(c2)OCO3)n1 73311902 MMAJUMJPVYNHIH-UHFFFAOYSA-N 371.418 3.645 0 1 FHAF O=C(O)c1nc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)no1 73167564 WFRIMISTTBXNLQ-OAHLLOKOSA-N 368.780 3.777 0 1 FHAF OCCCn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144848487 IDFBQXAXJJLKGG-LJQANCHMSA-N 374.362 3.711 0 1 FHAF COc1ccc2c(c1O)OCCC[C@@H]2c1cc(OC)c(OC)c(OC)c1 95591405 IKHJIQXEQCZFHM-CYBMUJFWSA-N 360.406 3.731 0 1 FHAF COc1nc(-c2cc3ccccc3o2)nc(=NCCc2ccc(F)cc2)[nH]1 473162737 JYVWPZLTPPAMCK-UHFFFAOYSA-N 364.380 3.509 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(=O)C3CCOCC3)c1)O2 587415211 YTTBULBBIYMKPG-HXUWFJFHSA-N 365.429 3.893 0 1 FHAF CCc1nccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587776535 XULAAWZKCHBBDG-JDNHERCYSA-N 350.235 3.564 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1OCO2 587606836 FEKLWYUBZPSMRC-UWJYYQICSA-N 362.337 3.824 0 1 FHAF COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587616346 CBAIFIABQHAEDT-PBHICJAKSA-N 355.371 3.560 0 1 FHAF CCCn1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587766732 WVTRCWPCKPREEM-MGPLVRAMSA-N 352.251 3.818 0 1 FHAF Cc1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1C 587202157 GDQQMFDEJRMMKI-MRXNPFEDSA-N 367.405 3.622 0 1 FHAF Cc1ccc([C@@]2(CN)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587579452 NOJOIRJEODFITN-DENIHFKCSA-N 361.397 3.516 0 1 FHAF COc1cc2c3c(c1)O[C@](C[C@@H]1CCOC1)(c1ccccc1)[C@@H](C2)C3=O 587449438 BMOAVOYPFAYLBA-VELBRHGASA-N 350.414 3.765 0 1 FHAF C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)CN1C 587763443 ZDIDGLWKWJEQEY-HBGPKNEHSA-N 355.295 3.678 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)O)o2)N1 587825912 BYMHOHYOYBEMIT-PWJLMRLQSA-N 368.202 3.677 0 1 FHAF C[C@@]1(c2sccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615578 YPNIQOFEYJPJGZ-HNAYVOBHSA-N 353.399 3.913 0 1 FHAF CS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529919 CMEBEJAXKBKYNN-LJQANCHMSA-N 356.443 3.675 0 1 FHAF C[C@@]1(c2ccc(S)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732031 VZYFJHQOIILLOG-RDJZCZTQSA-N 351.393 3.885 0 1 FHAF C[C@@H](NCc1cc([C@]2(C)CCSC(=N)N2)c(F)cc1F)C(F)(F)F 1772622341 STUTWXRFWQRASH-CLAHSXSESA-N 367.387 3.882 0 1 FHAF COC(=O)C1=CCC[C@@H]2[C@@](C)(CC(=O)c3ccoc3)[C@H](C)CC[C@@]2(O)C1 13370426 GBCUXCIKPZPERP-MLCUKSTJSA-N 360.450 3.919 0 1 FHAF CC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2cc(O)ccc12 13489829 KBOSVKKDQZHTCI-UHFFFAOYSA-N 367.245 3.816 0 1 FHAF CCOC(=O)C[C@H]1C[C@H](O)[C@@]2(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]12 13518502 LRIFCYRXSMCMGB-PHCOHBDUSA-N 358.478 3.789 0 1 FHAF CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1C=O 6762808 GBHYPZDGTWSQFR-AWEZNQCLSA-N 354.834 3.640 0 1 FHAF in-vivo CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)CCCC=CC[C@@H]21 253635670 ZTMJVNGXHMSKDT-FPQZAXPCSA-N 350.499 3.913 0 1 FHAF Cc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)NCc1ccccc1 1379690 HEOWJABQQVLAIG-GOSISDBHSA-N 351.450 3.616 0 3 FHAF CC1CCC(C(=O)N[C@H](C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)C(C)C)CC1 3895679 QKQYGRICRFJSOM-PKEUAFFXSA-N 350.547 3.894 0 1 FHAF CCOc1c2ccc(C(=O)N[C@H](C)C3CCCCC3)cc2nn1CCOC 8659511 ZWWSSORPFHFYDR-OAHLLOKOSA-N 373.497 3.780 0 3 FHAF CC1=C(C(=O)OC(C)C)[C@H](c2cccc3nonc23)C([N+](=O)[O-])=C(C)C1 26577357 DWHIMROOJFHDDM-HNNXBMFYSA-N 357.366 3.529 0 1 FHAF C[C@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)N(C)C 29465811 DLSWNGRKDBASQP-LBPRGKRZSA-N 371.824 3.931 0 1 FHAF Nc1sc(-c2ccccc2)cc1C(=O)N1CCN(c2ccccc2)CC1 103120069 AJOZRKXBTJAMST-UHFFFAOYSA-N 363.486 3.960 0 3 FHAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(C)nc12 26657388 UGLXTJFJHNLMTN-UHFFFAOYSA-N 351.193 3.834 0 1 FHAF CC1(C)C=Cc2c(ccc3c2OC[C@@H]2c4c(CO)cc(O)cc4O[C@H]32)O1 2356586568 FZLIKSWBUHMHRZ-FOIQADDNSA-N 352.386 3.678 0 1 FHAF CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)NCc1ccc(OC)cc1 5415281 ONVQFXOABOEKRL-ROUUACIJSA-N 374.525 3.622 0 1 FHAF biogenic COc1c2c(cc3oc4ccc(Cl)c(O)c4c(=O)c13)O[C@H]1OCC[C@@H]21 13374552 ROKZKWUTWDHMJV-ULCDLSAGSA-N 360.749 3.536 0 1 FHAF biogenic CCc1c(Oc2cc(C)cc(C)c2)n(CC[C@H]2C=CCC2)c(=O)[nH]c1=O 43060232 ZZCRQXHKYYPPLB-INIZCTEOSA-N 354.450 3.864 0 1 FHAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](CC(C)(C)C)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 40822240 IKEFFWJSZNGXRT-ACWVNDHCSA-N 369.505 3.596 0 1 FHAF O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2F)c1)c1c(Cl)cccc1Cl 95920667 RBNYBLHXBHWSCZ-JOYOIKCWSA-N 368.195 3.937 0 1 FHAF in-vitro CC1CCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)CC1 95572506 UURDWXDYXFMWFB-UHFFFAOYSA-N 360.845 3.641 0 1 FHAF COc1ccc(-c2ccc3c4c(cccc24)C(=O)N(CCN(C)C)C3=O)cc1 96939901 CJZSNDZCYBOPIB-UHFFFAOYSA-N 374.440 3.673 0 1 FHAF O=C1C[C@H](Sc2ccc(F)cc2F)N1C(=O)NCc1ccccc1F 299855673 BFJVXLZSSQJTCK-INIZCTEOSA-N 366.364 3.664 0 1 FHAF Cc1n[nH]c(=Nc2ccc3c(c2)ncn3-c2ccccn2)c2ccccc12 473105550 SSWYQNHRAFFFER-UHFFFAOYSA-N 352.401 3.838 0 1 FHAF O=C1CC=C(c2nc3cnc4ccccc4c3[nH]2)NN1Cc1ccc(F)cc1 587164944 ZTEJTBWAXFENHW-UHFFFAOYSA-N 373.391 3.528 0 1 FHAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587233045 IHBYFRPOPCQWSE-WPRPVWTQSA-N 354.813 3.911 0 1 FHAF CN1[C@H]2CC[C@H]1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335122 GRPDSKDPKCWSFI-CUBKBFNLSA-N 367.420 3.886 0 1 FHAF CCOC(=O)Cc1ccc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2c1 587786960 IBCVQWOGTDKSSV-UHFFFAOYSA-N 354.406 3.661 0 1 FHAF CCc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587587104 FQCBVSBCSOTSKB-JXFKEZNVSA-N 350.374 3.689 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nccnc1Cl 587553765 VSVNVAUSBZFPIY-DYVFJYSZSA-N 354.749 3.539 0 1 FHAF COc1ccc(C=O)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1OC 587786638 MWBBYRNOACHDOB-UHFFFAOYSA-N 354.259 3.616 0 1 FHAF N[C@@H](N=O)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 586983111 VSHOXTDBZWABKG-AWEZNQCLSA-N 359.183 3.529 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CN(Cc4ccccc4)CC[C@H]1C)[C@@H](C2)C3=O 587438813 RGWCCYJECSIZOU-BIFSNJIPSA-N 363.457 3.723 0 1 FHAF CCCCS(=O)(=O)N[C@H](c1nc2ccc3nc(C)ccc3c2[nH]1)C(C)C 586933933 ZQFNNYXXBRGDNP-KRWDZBQOSA-N 374.510 3.836 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cl)c1OC)[C@@H](C2)C3=O 587422654 RAWKHYHTMCEIDB-SGTLLEGYSA-N 360.793 3.855 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 586922491 PHGQNBLABVKWBM-UHFFFAOYSA-N 368.380 3.966 0 1 FHAF O=S(=O)(O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587074719 WAZAPGIWGZAQTB-UHFFFAOYSA-N 362.838 3.737 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc3C2=O)N1 587818620 RNEYPRMUGDFVBB-MGNBDDOMSA-N 360.226 3.757 0 1 FHAF O=S(=O)(CCc1nc2cccc(Cl)c2[nH]1)c1ccc2c(c1)CCC2 586920602 NUCVDJHIRZCLSG-UHFFFAOYSA-N 360.866 3.721 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC23CCOCC3)N1 587836372 TVJYBNMEHYIAOC-PIGZYNQJSA-N 354.263 3.908 0 1 FHAF Cc1ccnc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c12 587000570 QVJOQACSGFOAJN-UHFFFAOYSA-N 372.178 3.508 0 1 FHAF COc1cc(C)ccc1OCc1nc2cc(Br)c(C)nc2[nH]1 587563478 FYFOVXUHFBSOHE-UHFFFAOYSA-N 362.227 3.925 0 1 FHAF COc1cccc2c([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)cccc12 963025331 NYIGHUWHYQXQDT-FATZIPQQSA-N 358.441 3.991 0 1 FHAF CN1CCc2c(Br)cccc2[C@@H]1c1cnc2cccnc2c1 963289293 LSOXVKFNFGBDCP-SFHVURJKSA-N 354.251 3.970 0 1 FHAF Cc1cc(CO)c(C)c(-c2ccc(N3CCC(CC(=O)O)CC3)nc2)c1 1772653865 DZWWPVOYLWXVEH-UHFFFAOYSA-N 354.450 3.549 0 1 FHAF COc1cc(C(=O)N[C@@H](C)Cc2ccc(F)cc2)ccc1-c1cn[nH]c1 1772602103 CIXVBMOGRAAGGW-ZDUSSCGKSA-N 353.397 3.585 0 1 FHAF Cc1ccc(C(=C2[C@H]3C=C[C@@H]2[C@H]2C(=O)NC(=O)[C@H]32)c2ccc(C)cc2)cc1 13153202 ACTMDNIAXPEGIL-GMQQQROESA-N 355.437 3.810 0 1 FHAF COCC(=O)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1 13648379 JJEKRZADDFLKDS-UHFFFAOYSA-N 369.812 3.521 0 1 FHAF Fc1ccc2c(c1)nc(N1CCN(Cc3ccco3)CC1)c1cccn12 13801526 JVWDIVYJDNVJIC-UHFFFAOYSA-N 350.397 3.542 0 1 FHAF CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCOCC(=O)O 169316657 CVWUEAVZYKFDAH-LOHFNRFFSA-N 368.514 3.987 0 1 FHAF O[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(c2ccccn2)CC1 169334382 PPOROOFLUNLTLP-DHIUTWEWSA-N 359.473 3.679 0 1 FHAF CC[C@H](C)N1C(=S)SC(C)(C)[C@H]1N(O)C(=O)NC1CCCCC1 4795208 JYMOBQLSSLRCRX-WCQYABFASA-N 359.561 3.957 0 3 FHAF COc1ccc([C@@H]2[C@H]3CCCC3=NN2S(=O)(=O)c2ccc(C)cc2)cc1 1857595100 QGALVWOWVDVKHZ-AZUAARDMSA-N 370.474 3.905 0 1 FHAF O=C(O)/C=C/c1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1 1857655952 PAROMALSZNDIFM-KRXBUXKQSA-N 369.760 3.797 0 1 FHAF Cc1ccc2c3oc(C(=O)N4CCOCC4)cc3n(C(=O)OC(C)C)c2c1 26385347 LHMQXLAVQYUGHO-UHFFFAOYSA-N 370.405 3.561 0 1 FHAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccnc1 100704904 MFIFUVDKJRKSEL-ZDUSSCGKSA-N 354.435 3.903 0 1 FHAF Cc1ccc2c(=O)oc(-c3ccccc3I)nc2c1 27739120 REDGKVBOUYXRLD-UHFFFAOYSA-N 363.154 3.768 0 1 FHAF Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CCCNC3)c2c1 34803965 GGKQOYXYJRAAKR-CQSZACIVSA-N 373.460 3.544 0 1 FHAF Cc1ccc(C(=O)NC2CC2)cc1-c1cnc2c(c1)NC(=O)C21CCCC1 72178952 PXHGZEDOCKTIJR-UHFFFAOYSA-N 361.445 3.713 0 1 FHAF CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c13 73199631 KGFUJNANWKDXND-VNZMSGEBSA-N 356.469 3.853 0 1 FHAF C[C@@H]1CN(c2ccccc2Sc2ccccc2)[C@H](C)CN1CC(=O)O 36143359 RNWWELXCECAMRH-HZPDHXFCSA-N 356.491 3.821 0 1 FHAF COc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCc2ncsc21 220850316 JTVHTJGAFQMQAD-SECBINFHSA-N 357.262 3.805 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cn2)c2c(F)cccc2c1=O 45337472 RRNMJRUJIJBSGA-UHFFFAOYSA-N 374.371 3.949 0 1 FHAF Cc1ccc(Cc2cnc(-c3cccc(C(N)=O)c3)c(C)c2)c(C(=O)O)c1 96173356 UTHFHWOZMXHBAM-UHFFFAOYSA-N 360.413 3.753 0 1 FHAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1nc(Cl)ccc1Cl 261185444 XGYKVLANUKJWCS-LBPRGKRZSA-N 353.205 3.643 0 1 FHAF O=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(Oc2ccccc2)CC1 653784933 YEFBQZRVYZLMNP-UHFFFAOYSA-N 363.421 3.547 0 1 FHAF O=C(Nc1cnc2cnc(-c3ccc4ccccc4c3)cn12)[C@@H]1CCOC1 653678258 LFWMWCBZAFJOSG-QGZVFWFLSA-N 358.401 3.525 0 1 FHAF Cc1cc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2c(C)n1 587122845 DXNWRUSSMZPATR-UFBFGSQYSA-N 350.348 3.746 0 1 FHAF Cn1nnc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1C(F)F 587129539 XMZGCJYMKMQJSW-UHFFFAOYSA-N 355.348 3.875 0 1 FHAF CC1(C)C[C@]2(CC[C@H]1O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587609639 OLQDNHVPISUKME-WWMYMODYSA-N 354.402 3.664 0 1 FHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1O 587591130 FYSRNQYXCIKESI-GHTZIAJQSA-N 364.353 3.809 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(CC(=O)OC)cc1)CC2=O 587476316 BIJJWLPYVIIDGO-IBGZPJMESA-N 354.402 3.767 0 1 FHAF Cc1onc(-c2nc3cc(N)c(N)cc3[nH]2)c1COc1ccc(Cl)cc1 587074920 APZTYUXZWRTWEB-UHFFFAOYSA-N 369.812 3.923 0 1 FHAF NC(=O)c1cccc2nc(-c3cc(Br)ccc3Cl)[nH]c12 586979760 AEUVGFCNLIJNKG-UHFFFAOYSA-N 350.603 3.745 0 1 FHAF CC(C)OC(=O)C1(c2nc3ccc(OC(C)C)cc3[nH]2)CC(F)(F)C1 587131633 QODXKHKFQXBUFM-UHFFFAOYSA-N 352.381 3.969 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2N)N1 587751827 ZBPGKUBVVUDTIW-VVVCHXIZSA-N 365.246 3.674 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1O 587570747 XRNQOWUZDVBDRI-FXAWDEMLSA-N 352.317 3.940 0 1 FHAF COc1cc2c3c(c1)O[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587429179 OKYWQTRIKIHUEM-HIFRSBDPSA-N 361.438 3.505 0 1 FHAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1 587048778 ADDDLWGWZJXGBL-UHFFFAOYSA-N 372.856 3.782 0 1 FHAF CC(C)OC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796298 TTWHSUSBUWVKIU-MGPLVRAMSA-N 358.251 3.679 0 1 FHAF CC(C)n1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587760394 PKDNMMBWOUBDDD-MGPLVRAMSA-N 352.251 3.989 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cccc(Cl)c21 587458705 ASROCXVXOAYBQB-IBGZPJMESA-N 357.793 3.811 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1nccs1)CC2=O 587493702 GCXGLQUELZDCQP-LHUXKHBRSA-N 358.463 3.737 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(C(F)(F)[C@H](F)C(F)(F)F)[C@@H](C2)C3=O 587419314 FUEQTEWYABACKO-HJIKLVIJSA-N 354.246 3.737 0 1 FHAF Cc1cc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2cc1Br 587249864 OLWYYDJRKFLKLZ-UHFFFAOYSA-N 360.211 3.510 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2[nH]1 587869591 KVASAQIGWMAOSF-UHFFFAOYSA-N 359.311 3.838 0 1 FHAF COC1=C(C)OC=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587829258 BORJAKZOLJEREN-ABKXIKBNSA-N 354.219 3.740 0 1 FHAF CC[C@@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339057 DJWGMZCVXSMXRR-CTNGQTDRSA-N 366.392 3.929 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1COCc1ccccc1 587591025 FIJUHKHQJJKFQS-PMACEKPBSA-N 362.381 3.939 0 1 FHAF CCOC(=O)C(C)(C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587799234 RIMQQBUTWZXWKA-BMLIUANNSA-N 372.278 3.927 0 1 FHAF COc1ccc(/C=C/Cc2nc3cc4c(cc3[nH]2)OCCO4)c(OC)c1 587930903 WURYPWCCLMOCQU-ONEGZZNKSA-N 352.390 3.607 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cccn2-c2ccc(Cl)cc2)N1 962905200 YTUFNPVMLLYUQA-LPHOPBHVSA-N 370.811 3.958 0 1 FHAF Cc1c(O)ccc2c1[C@@](C)(CC(C)(C)Nc1ccccc1)N[C@H](C(=O)O)C2 963505960 DDCQPMGYFIVZIY-HTAPYJJXSA-N 368.477 3.796 0 1 FHAF O=C1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CN2S(=O)(=O)c1ccccc1 1772642304 HGOCZJSDHNELIL-SFHLNBCPSA-N 369.486 3.603 0 1 FHAF CC(C)Cc1cc(CNS(=O)(=O)c2ccccc2)nn1-c1ccccc1 1772603078 VVIHKCYUMFOOLA-UHFFFAOYSA-N 369.490 3.549 0 1 FHAF CCN(CC)CCNC1=N[C@H](c2ccccc2)c2ccccc2CN1C 13600247 YMYQTWZTBUQRPW-OAQYLSRUSA-N 350.510 3.509 0 1 FHAF N[C@H](COc1cncc(Nc2ccncc2)c1)Cc1c[nH]c2ccccc12 14957425 LEFITUMYPXLPSR-INIZCTEOSA-N 359.433 3.650 0 1 FHAF COc1cccc(C(=O)N(C)Cc2cccc(-c3cn4c(n3)CCC4)c2)c1 1857654175 HDBYUCSDPPUAQR-UHFFFAOYSA-N 361.445 3.777 0 1 FHAF CC1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 8661191 FGZDQVUMKWDSPP-RTBURBONSA-N 368.502 3.917 0 1 FHAF Clc1ccc([C@H](CN(C2CC2)C2CC2)Cn2cncn2)c(Cl)c1 103174518 SBBADDBFZVLNGJ-LBPRGKRZSA-N 351.281 3.996 0 1 FHAF C[C@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccccc1Br 101762617 ASLDMDSWKLKXET-AVGNSLFASA-N 352.272 3.721 0 1 FHAF COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 27209942 VQKLFYFQQYOFJU-AYZHRIAMSA-N 367.537 3.808 0 1 FHAF FC(F)(F)c1nc2c(N3CCN(Cc4ccccc4)CC3)cccc2[nH]1 26579142 PSWUORNVMIRUSW-UHFFFAOYSA-N 360.383 3.904 0 1 FHAF C[C@@H](N)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 27318715 AZCLGVAMUSYUMJ-SNVBAGLBSA-N 372.259 3.945 0 1 FHAF CCOC(=O)c1cn2ncnc(Nc3ccc(C)c(O)c3)c2c1C(C)C 28125818 MKTNMOUKLPKCQG-UHFFFAOYSA-N 354.410 3.787 0 1 FHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(OC)C[C@H]12 2356629228 VZDRWGCKZZURIO-KTOWRORUSA-N 362.466 3.927 0 1 FHAF C[C@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)c1cccc(F)c1 61902451 WHPFRHPMNMIEGM-JOCHJYFZSA-N 366.436 3.948 0 3 FHAF O[C@H](CNCc1cc(F)ccc1F)Cn1c2c(c3ccccc31)CCCC2 73141584 CDFNBGVZJWKGJM-QGZVFWFLSA-N 370.443 3.949 0 1 FHAF C[C@@H]1CC/C=C\CCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 70462971 QYZGDPJIVMGJDY-OTDNITJGSA-N 352.814 3.928 0 1 FHAF CCCCC[C@@H](C[C@@H](O)CCc1ccc(OC)c(OC)c1)OC(C)=O 15256955 MVMCYBCRYZSVDR-ROUUACIJSA-N 352.471 3.899 0 1 FHAF biogenic Cc1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1F 40975474 UCMYLPJAVAGSBP-UHFFFAOYSA-N 360.392 3.786 0 1 FHAF O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1Cl 43062865 LKPJQZSWFLAVEV-UHFFFAOYSA-N 355.869 3.593 0 1 FHAF CCNC(=O)c1cc(-c2c(O)cc(O)cc2Oc2ccc(Cl)cc2)on1 96939862 ULRYEIXYTPOIKV-UHFFFAOYSA-N 374.780 3.948 0 1 FHAF COc1cc(OC)c2nnc3c(c(-c4ccccc4Cl)nn3C)c2c1 146528397 WEVKYPBCKKMPHE-UHFFFAOYSA-N 354.797 3.854 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1N)[C@@H](C2)C3=O 587417132 IXUXPQSAJVXXNK-SJCJKPOMSA-N 360.207 3.529 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)N1C[C@@H](C)O[C@H](C)C1)CC2=O 587473993 BLPSVBZIQDKFJO-LPMFXHHGSA-N 361.482 3.566 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)c4ccccc4)cn1C)[C@@H](C2)C3=O 587432844 ZIEHJXCBTKYYFF-GAJHUEQPSA-N 373.408 3.753 0 1 FHAF COC(C)(OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345401 FHROYOUJSQGEPB-PKOBYXMFSA-N 360.381 3.658 0 1 FHAF CCCn1ccnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587755702 PXIFCWINTPFLKH-ZUZCIYMTSA-N 352.251 3.818 0 1 FHAF CCCc1sc(=N)[nH]c1-c1nc2cc(F)cc(Br)c2[nH]1 587013140 IKUNKOVEFYNKBX-UHFFFAOYSA-N 355.236 3.953 0 1 FHAF O=C(/C=C\c1nc2ccnc(Br)c2[nH]1)Nc1ccc(F)cc1 587167313 PRVYKJVGBQWNFK-WAYWQWQTSA-N 361.174 3.511 0 1 FHAF CCc1nccnc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587767879 BQDXJEJATJKDRH-QGHHPUGFSA-N 364.262 3.738 0 1 FHAF C[C@@]1(c2ccc(F)c(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557622 NWJKIXZLSVWIGC-RXVVDRJESA-N 365.360 3.991 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3ccc(Br)cn13)O2 587374789 ZGUWVFSNXQWBGL-HNNXBMFYSA-N 372.222 3.694 0 1 FHAF CCC1(CC)OC[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 587610751 QOZCPPHMIMVZCX-FUHIMQAGSA-N 370.401 3.654 0 1 FHAF COc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587399976 OLKWOAWRLTVOFM-NRFANRHFSA-N 369.417 3.620 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn3ccnc3c2)N1 587774325 MLOBBYNTMCJBNN-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF COc1ccccc1CC(=O)c1nc2cc(F)c(Br)cc2[nH]1 587928653 AKHLDFNHASBOQA-UHFFFAOYSA-N 363.186 3.899 0 1 FHAF COc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1Cl 586978815 IVXWLGNETUIBKZ-UHFFFAOYSA-N 369.650 3.849 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)Nc1ccccc1)(C(C)C)O2 587392152 XLHWYZKBOPFMIP-OAQYLSRUSA-N 352.434 3.966 0 1 FHAF Cc1ccc(C)c(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587959240 OAEUWAHQBMBDFZ-UHFFFAOYSA-N 359.433 3.830 0 1 FHAF COc1cccc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)c1OC(C)=O 963103730 OACRLYNRUKFCTC-QRWLVFNGSA-N 355.409 3.870 0 1 FHAF CCOC(=O)[C@H](C[C@]1(C)NCCc2cccc(-c3ccccc3)c21)C(C)=O 962656546 BHAAGDNHOYFHND-OFNKIYASSA-N 365.473 3.873 0 1 FHAF CCc1nc(N)cc(C)c1-c1cccc2c(C)c(CCC(=O)NC)[nH]c12 1772582248 XUNJGGRYUJRMES-UHFFFAOYSA-N 350.466 3.670 0 1 FHAF O=C(c1cccc(Cl)c1)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 12582281 RMJZCHNIJFACRF-HNNXBMFYSA-N 371.820 3.804 0 3 FHAF O=c1[nH]c(CCCN2CC=C(c3ccccc3F)CC2)nc2ccccc12 13581584 YFGRWGSCTNRIBW-UHFFFAOYSA-N 363.436 3.784 0 1 FHAF CCCCOc1ccc([C@](O)(CCN2CCOCC2)c2ccccc2)cc1 19855772 LTDLMDRADXKBIO-QHCPKHFHSA-N 369.505 3.824 0 3 FHAF COc1cc2c(cc1OC)[C@H]1C[C@@H](NCCF)[C@@H](CC(C)C)CN1CC2 169303192 YMERYCTWSIREBR-QXAKKESOSA-N 364.505 3.597 0 1 FHAF CC(C)(NC(=O)c1ccc(C#Cc2ccnc(Cl)c2)cn1)C(F)(F)F 203540717 IHNZWKAGAISFBH-UHFFFAOYSA-N 367.758 3.601 0 1 FHAF CCCCCCc1c(O)ccc2c1O[C@]1(NC(=O)C(Cl)=C1Cl)C2=O 1857564520 QZEBDRZCDJCUAZ-KRWDZBQOSA-N 370.232 3.605 0 1 FHAF COc1ccc(Cc2cn(C3CCN(Cc4ccccc4)CC3)nn2)cc1 1857571055 HUNLLPPEYNXKAR-UHFFFAOYSA-N 362.477 3.715 0 1 FHAF COc1cccc([C@H]2CCN(c3ccc(-c4cn[nH]c4)c(OC)c3)C2=O)c1 584629272 CFUXOCKTZIWRDT-LJQANCHMSA-N 363.417 3.614 0 1 FHAF CCNc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 2014377 ZPKNJAYOODUPQW-UHFFFAOYSA-N 358.871 3.957 0 1 FHAF C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)CNC(c1ccccc1)c1ccccc1 28221552 REJYGFBJAGQUCN-KNKQGSTJSA-N 352.522 3.989 0 1 FHAF CCCCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1F 28637856 PQGBHTHCIHAEED-MRXNPFEDSA-N 373.421 3.529 0 1 FHAF C[C@H](CCO)[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 33821006 JWKNPWJGFZVWMB-XQNRYLPDSA-N 364.570 3.996 0 1 FHAF C[C@H](Nc1cncc(Cl)n1)c1cccc(N(C)C(=O)c2cccnc2)c1 40848136 CTNXOEMFMZRUHH-ZDUSSCGKSA-N 367.840 3.975 0 1 FHAF CC(C)(C)c1ccc(CC2(N)CCN(c3ccnc4[nH]ncc34)CC2)cc1 45387434 ZSPYHLIIAPFXSZ-UHFFFAOYSA-N 363.509 3.796 0 1 FHAF Cc1cc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)on1 59263903 ZZHUXSGMUONPBN-WMZOPIPTSA-N 368.481 3.607 0 1 FHAF NC(=O)Cc1ccc(Nc2nncc3c(-c4ccc(O)cc4)cccc23)cc1 73219166 UFSQKRZOPVHVKD-UHFFFAOYSA-N 370.412 3.774 0 1 FHAF CCCc1nc2c(NCc3ccccc3C)ncnc2n1C[C@H]1CCCO1 82180476 HUQMCORBILUZCR-QGZVFWFLSA-N 365.481 3.878 0 1 FHAF COc1c(Br)cc(N2CCC(=O)N(C)C2=O)cc1C(C)(C)C 84670243 YWHBHMIACMKLAP-UHFFFAOYSA-N 369.259 3.544 0 1 FHAF O=C1C[C@@H]2O[C@@H](C=C[C@@H]2O)C/C=C\C[C@H](c2ccc3ccccc3c2)O1 96915230 WOAFGLPKANJQPZ-MRKMSZMTSA-N 350.414 3.849 0 1 FHAF c1cnc(O[C@H]2C[C@H](Nc3nc4ccccc4[nH]3)C2)c(C2CCOCC2)c1 143272584 CNRUVGBQIUTQMP-IYBDPMFKSA-N 364.449 3.874 0 1 FHAF C[C@@H](c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cn[nH]c3)nc21 222082684 CEQIRFUMOKJDNO-NSHDSACASA-N 359.368 3.513 0 1 FHAF COc1cc2c(c3c1C(=O)[C@H](O)[C@@H](c1ccccc1)O3)C=CC(C)(C)O2 238782086 RUDILYVZCUZXBH-RBUKOAKNSA-N 352.386 3.557 0 1 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NC[C@@H](O)CC 299888042 ZUWVZCCWAJUVPP-BHYGNILZSA-N 352.500 3.649 0 1 FHAF Cc1cncc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587002198 VCMJTHNQHBEMTP-IHWYPQMZSA-N 372.222 3.970 0 1 FHAF Cc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1Cl 587163166 HTSJVXGPRPSTHV-UHFFFAOYSA-N 370.815 3.942 0 1 FHAF Cc1cc(C)c2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2c1 587193685 OGTQMVHPMNLMHW-UHFFFAOYSA-N 351.450 3.699 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(c3cccc(F)n3)CC1)CC2=O 587472650 SZSBPBYZGKHABQ-UHFFFAOYSA-N 370.424 3.883 0 1 FHAF CC1(C)Cc2nc(=N)[nH]cc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587508808 FKDHTEDTOKXXLI-QFIPXVFZSA-N 363.461 3.601 0 1 FHAF CC(=O)Nn1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 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COc1ccc([C@H]2C[C@@H](c3ccc(OC)c(OC)c3)[C@H](OC)CO2)cc1O 238736497 WTCGOQUMVRSMDU-NYSBEXSLSA-N 374.433 3.678 0 1 FHAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)CCCCCC(=O)Nc3ccc(cc3)[C@H]1C2 261115696 IRVGZJHWMUWHKA-YRPNKDGESA-N 370.493 3.699 0 1 FHAF Cc1c(Br)cnc2nc(C3=Cc4cccc(O)c4OC3)[nH]c12 586907049 CCGBTSWDSNPKBI-UHFFFAOYSA-N 358.195 3.667 0 1 FHAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)c1 586922661 YGLHZELSALHMRM-UHFFFAOYSA-N 357.479 3.640 0 1 FHAF O=S(=O)(Cc1nc2cccc(OCc3ccccc3)c2[nH]1)C1CCCC1 586925403 YZFXMNABQCEZOH-UHFFFAOYSA-N 370.474 3.999 0 1 FHAF Oc1nc2cc3nc(-c4ccnc(Cl)c4Br)[nH]c3cc2[nH]1 586979954 ZBBSTMXQSZOZRG-UHFFFAOYSA-N 364.590 3.623 0 1 FHAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(C(=N)N)cc2[nH]1 587044814 SZSSEGRBKQOMEZ-UHFFFAOYSA-N 365.220 3.838 0 1 FHAF N[C@@H](Cc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587058040 BNZFALRJHIDOIC-JTQLQIEISA-N 351.740 3.780 0 1 FHAF CCOc1n[nH]c(-c2nc3ccc(Br)c(F)c3[nH]2)c1Cl 587064835 HJNFJLBKSIWHHT-UHFFFAOYSA-N 359.586 3.907 0 1 FHAF Cc1ccc2c3c(c4c(nc13)CC[C@@]1(CNC(=O)C1)C4)-c1ccccc1C2=O 587097106 POSFSEQBDCWGBN-XMMPIXPASA-N 368.436 3.750 0 1 FHAF C[C@H](c1nc2cc(=N)[nH]cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129165 SOCHPQVXTGJXIQ-SCSAIBSYSA-N 362.718 3.705 0 1 FHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(Cl)ncnc2[nH]1 587233635 RZRZLJXZXSQBSI-NXEZZACHSA-N 351.838 3.557 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(C)nccc4[nH]3)c2)c1 587235277 MUQKYSBXLJGJGI-UHFFFAOYSA-N 356.429 3.884 0 1 FHAF CN(C)CCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331273 ARULAZUOPWZGLS-PZJWPPBQSA-N 357.425 3.991 0 1 FHAF C[C@@]1(c2ccc(=N)[nH]c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333774 IDPQKADEOKSTEM-FPOVZHCZSA-N 364.376 3.613 0 1 FHAF Cc1nccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587335188 GXMXBOZUTUUWBY-FPOVZHCZSA-N 364.376 3.904 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCCCC(=O)O)c1)O2 587400190 LKGXBUQELWNKCU-NRFANRHFSA-N 369.417 3.701 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCCCN(C)C)c1)[C@@H](C2)C3=O 587428934 NPUUJFLVIKEGIM-AVRDEDQJSA-N 367.445 3.514 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OC(C)=O)CC2=O 587485098 ZDAZCMOHILPGLB-LJQANCHMSA-N 370.401 3.985 0 1 FHAF Cc1c(O)c(C=O)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587531427 GBEBKSJVUUYWCI-SFHVURJKSA-N 352.386 3.804 0 1 FHAF CC[C@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582992 SLZZBPUAJYVEBB-GHTZIAJQSA-N 364.401 3.701 0 1 FHAF O=Cc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587606773 GCVCAIHCBHJWQV-RXVVDRJESA-N 362.337 3.613 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cn2)N1 587736493 WDOKBPSZTWOXII-ABKXIKBNSA-N 353.210 3.920 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC3(C2)OCCO3)N1 587840552 ZFCQRKNBMWSLIA-BDJLRTHQSA-N 370.262 3.635 0 1 FHAF COc1cccc(C2(c3nc4cc5c(cc4[nH]3)OCC(=O)N5)CCCC2)c1 587933900 ZFVHBFCAVINADC-UHFFFAOYSA-N 363.417 3.763 0 1 FHAF CSCCC[C@@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962930551 WCMUSYKPCNXIKX-OALUTQOASA-N 373.474 3.968 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2[C@@]12c1ccccc1CCC2(CO)CO 963244940 YINILEMROQITIC-HOYKHHGWSA-N 365.517 3.504 0 1 FHAF CCCN1CCc2nc(=NCc3ccc(Cl)c(Cl)c3)[nH]cc2C1 1857602122 XOLRAFPNBSYZBM-UHFFFAOYSA-N 351.281 3.586 0 1 FHAF COc1cccc(Nc2nc3nonc3nc2Nc2ccccc2F)c1 1857613922 PWDZOKZWGWUWJI-UHFFFAOYSA-N 352.329 3.648 0 1 FHAF COC(=O)C[C@@]1(C(=O)O)CCC[C@]2(C)c3ccc(C(C)=O)cc3CC[C@@H]12 1857765920 HKJYZFDOGBWKHN-UIFIKXQLSA-N 358.434 3.527 0 1 FHAF O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC(c2ccccc2F)=NO1 12727087 JCYSHOIXJAIDTJ-INIZCTEOSA-N 366.314 3.654 0 3 FHAF Cc1ccccc1-n1c(SCc2ccccn2)nc2nnc(C)c-2c1N 101496407 TUFYOXXMIAFVDA-UHFFFAOYSA-N 362.462 3.653 0 3 FHAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CC)c1 775783 XYEVXSHGIVGKLT-CQSZACIVSA-N 360.454 3.539 0 1 FHAF CCCCC=CC=CCCCC=CC=C[C@@H]1C[C@@H](O)[C@@H](N)CN1C(C)=O 2356409467 KCFQJQRGGYHYSG-BHIFYINESA-N 360.542 3.881 0 1 FHAF C[C@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356415638 QTNGLMWAVBOBLJ-MSTJQSGMSA-N 363.586 3.927 0 1 FHAF O=C1CC(=O)N([C@@H]2CCc3ccccc32)C(=O)N1[C@@H]1CCc2ccccc21 102842862 NKESPPLEVGOHRA-RTBURBONSA-N 360.413 3.542 0 1 FHAF O=C(N[C@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@H]1CCC[C@H]2C1 100987841 ZIAMDRHEQRSMSY-YEWWUXTCSA-N 360.885 3.583 0 1 FHAF COc1ccc([C@H]2CN(C)Cc3cc(OCCCNC4CC4)ccc32)cc1 28818097 CWKGVKHDADMKBI-HSZRJFAPSA-N 366.505 3.793 0 1 FHAF C[C@H](O)[C@@H]1OC(=O)[C@H]2[C@@H]([C@H](C)C[C@@H]1C)[C@@H](C)C(=O)[C@H]1C[C@H](C)C[C@H](C)[C@H]12 2356436589 RKGOMGDMTKLFLM-REUMICKXSA-N 364.526 3.705 0 1 FHAF COc1cc(O)c(C=CC(C)(C)O)c2c1C(=O)C[C@@H](c1ccccc1)O2 2356583585 YSYPNKZOQYHUSV-KRWDZBQOSA-N 354.402 3.891 0 1 FHAF CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@]2(C)CCCC(C)(C)[C@H]12 2356717448 ROECGAWNHRGIRN-UWGQAIRJSA-N 364.482 3.539 0 1 FHAF CN[C@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C 2356739024 VKFMRYVPGACJBB-JXTICOAXSA-N 374.613 3.941 0 1 FHAF O=C(O[C@@H](C(=O)NCc1ccccc1)c1cccs1)c1ccccc1 34170604 XFPVZVGJSNSZAF-GOSISDBHSA-N 351.427 3.963 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3cc4ccoc4cc3O[C@@H]1CO2 15203341 QDVCTVPRLKNDMC-MOPGFXCFSA-N 352.342 3.570 0 1 FHAF biogenic O=C1NC(=O)[C@@H](Cc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)S1 45389666 DDSYPNRHGKUALU-GFCCVEGCSA-N 368.336 3.787 0 1 FHAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccco2)C1 82142663 JCFMTLODYIUNJV-HUUCEWRRSA-N 356.470 3.843 0 1 FHAF NC(=O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1 40933669 MPIXODNJTUZDGF-UHFFFAOYSA-N 367.474 3.786 0 1 FHAF Fc1ccccc1[C@@H](Cc1ccccc1OC(F)(F)F)N1CCNCC1 49036227 WARUECLCXNMKJR-QGZVFWFLSA-N 368.374 3.913 0 1 FHAF in-vivo COc1ccc([C@@]2(c3cccc(-c4cccnc4)c3)C[C@@H](OC)C(N)=N2)cc1 95921320 XBWQSEBJKSPBBV-FYYLOGMGSA-N 373.456 3.777 0 1 FHAF in-vitro CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)O 95068047 OSSCRNXESHYICM-SFHVURJKSA-N 355.434 3.798 0 1 FHAF CC(=O)c1ccc(O[C@@H]2C=C[C@@H](c3ccc(Cl)cc3)O[C@H]2CO)cc1 253916631 WAARVUWZNIKQDS-ZCNNSNEGSA-N 358.821 3.979 0 1 FHAF COc1ccc(CCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC1CCCC1 299834717 VEZBZXKJDGSUNZ-HZPDHXFCSA-N 361.482 3.585 0 1 FHAF N=c1[nH]ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587068082 YEKMAHRYGIUOHR-UHFFFAOYSA-N 350.809 3.850 0 1 FHAF CCc1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587791807 NFAQULIQOUNPSD-VPTHRUTESA-N 352.251 3.806 0 1 FHAF Clc1ncc(-c2nc3ccc(I)cc3[nH]2)s1 587022873 BYPRTOPZTGRTNJ-UHFFFAOYSA-N 361.595 3.944 0 1 FHAF COC(=O)c1cc2[nH]c(CCc3cc4ccccc4o3)nc2cc1OC 586909182 WGQSTXPVCAWFTF-UHFFFAOYSA-N 350.374 3.890 0 1 FHAF CCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793563 NPJZLXIUNJCDRF-QLJPJBMISA-N 358.251 3.681 0 1 FHAF O=C(O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587109020 KZOKSFCJXVPQJW-UHFFFAOYSA-N 350.252 3.645 0 1 FHAF COc1cc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2cc1C 587155970 JVGCSBFXVLMLDM-UHFFFAOYSA-N 352.369 3.880 0 1 FHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(F)c(F)c3[nH]2)c1 586930530 KTTQOMXOSZVJKG-UHFFFAOYSA-N 365.405 3.539 0 1 FHAF CCOC(=O)Cc1ccc2nc(-c3cc(Cl)c(O)c(OC)c3)[nH]c2c1 587045708 DCPLMHHTRWNSCK-UHFFFAOYSA-N 360.797 3.703 0 1 FHAF CC1=C(c2ccc3[nH]c(-c4cc5c(s4)CCC5)nc3c2)NNC(=O)C1 587037043 QQSFYFKKSJIRKA-UHFFFAOYSA-N 350.447 3.536 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 586938398 JFGQBERABAKATB-SNVBAGLBSA-N 365.405 3.585 0 1 FHAF Oc1nc2cc3[nH]c(-c4ccc(-c5ccc(Cl)nn5)cc4)nc3cc2[nH]1 587088037 SHYXVFIMHDQZHW-UHFFFAOYSA-N 362.780 3.922 0 1 FHAF FC(F)(F)c1ccn(Cc2cc(-c3nc4ncc(Cl)cc4[nH]3)no2)n1 587118298 LHPOMTUWZCSHDS-UHFFFAOYSA-N 368.706 3.530 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N3CCCC3)ccc1N)O2 587395776 OKRBARKHOYXCBZ-NRFANRHFSA-N 351.450 3.640 0 1 FHAF C[C@H]1C[C@]2(C[C@@H](C)N1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345643 JDZLVOUVOGMJMC-YMPJLZLPSA-N 355.409 3.789 0 1 FHAF Cc1cc(F)c2[nH]c(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 587093410 DKERBQNFCSCDFV-CQSZACIVSA-N 359.348 3.768 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)ccc1OC)CC2=O 587480181 NSBZQJCJCMQLOX-LJQANCHMSA-N 370.401 3.846 0 1 FHAF Cc1ccc(NC(=O)CSCCc2nc3ccnc(Cl)c3[nH]2)cc1 586970737 PKOHZCVUYMVQSH-UHFFFAOYSA-N 360.870 3.834 0 1 FHAF N[C@@H](N=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076915 OZBWCYBWPCEGNX-CVEARBPZSA-N 355.785 3.557 0 1 FHAF CC[C@]1(C2(C(=O)OC)CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587536575 VSZUUDZXYIYAJD-JOCHJYFZSA-N 372.461 3.649 0 1 FHAF Oc1ccc(OCc2ccccc2)cc1-c1nc2nc(Cl)c[nH]c-2n1 587783099 WUEMPLXUNDCQOJ-UHFFFAOYSA-N 352.781 3.910 0 1 FHAF COc1ccc(/C=C\Cc2nc3cc4c(cc3[nH]2)OCCO4)c(OC)c1 587930897 WURYPWCCLMOCQU-ARJAWSKDSA-N 352.390 3.607 0 1 FHAF Nc1ccc(C(=O)CCc2nc3cc(F)cc(Br)c3[nH]2)cc1 587251609 JUWCWGMLUXLDHV-UHFFFAOYSA-N 362.202 3.862 0 1 FHAF O=C1CSc2ccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cc2N1 587044333 SJZMAOASWMDVLQ-UHFFFAOYSA-N 351.218 3.976 0 1 FHAF COc1cc2ccccc2cc1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963023886 ISQUXXKXUFHKCT-WAIKUNEKSA-N 358.441 3.991 0 1 FHAF O=C1Nc2c(Cl)ccc(O[C@H]3C[C@@H](C(=O)O)C3)c2C2(CCCCC2)N1 141571916 PFDYHSOOBQTYLZ-XYPYZODXSA-N 364.829 3.877 0 1 FHAF investigational O=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)Nc1ccncc1 13824839 IQEKOEBEABQVRJ-UHFFFAOYSA-N 363.808 3.785 0 1 FHAF CC[C@H]1CN(C(=O)/C=C/c2ccccc2)CC(=O)N1Cc1ccc(C)cc1 14980398 SQNBKNGZQHNTGX-ARKBFRDHSA-N 362.473 3.658 0 1 FHAF COc1ccc([C@@H]2CC(=O)[C@H]3C(=Nc4ncnn4[C@@H]3c3ccccc3)C2)cc1 169686749 LBQJZEHXATVNNM-ZLGUVYLKSA-N 372.428 3.725 0 1 FHAF CCOc1ccccc1NC(=O)[C@@H]1C(C)=NC(=S)N[C@H]1c1cccs1 169689674 OUHVJPNDVBKZNQ-CVEARBPZSA-N 373.503 3.792 0 1 FHAF Cc1ccc2nc(NC(=O)c3ccccc3)c(C(=O)NC3CCCC3)n2c1 1857605230 YETMULYZFZCWJW-UHFFFAOYSA-N 362.433 3.567 0 1 FHAF O=C1c2cccc(F)c2C(=O)N1CCNc1ccnc2cc(Cl)ccc12 1857748430 VYPPBTCITLNFOJ-UHFFFAOYSA-N 369.783 3.735 0 1 FHAF COc1cc2c(cc1OC)CN1CCCc3cc(OC)c(OC)cc3[C@H]1C2 6403848 TVBRYPWZLXTVSF-GOSISDBHSA-N 369.461 3.767 0 1 FHAF CC1=CC[C@@H]2[C@H](C)CC[C@@H]3[C@H](CC(=O)O)[C@H](O)[C@]4(C)CC(=O)[C@@H]1[C@@H]4[C@]32C 2356381077 ZSUVPFNZNXWINV-WVGAQOPYSA-N 360.494 3.682 0 1 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@@H](C2)[C@H]1[C@H](C)CC(=O)C3 29477581 VDSHRIABCYXDCJ-IUBJVUOCSA-N 353.506 3.979 0 1 FHAF COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cccnc3)cc2)c1 100108814 KMOOTCYORQCHDG-UBRQYEGLSA-N 371.484 3.697 0 1 FHAF CC(C)NC(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568704 FKSICUOFJYPFSV-YTPVBNAFSA-N 371.521 3.750 0 1 FHAF in-vivo CNC[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 26578842 FEDPGNYQAWCUTK-GOSISDBHSA-N 363.288 3.881 0 1 FHAF COc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc3[nH]cnc23)cn1 113153403 ASMRWTJRNXGSOP-UHFFFAOYSA-N 367.800 3.524 0 1 FHAF CN1[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1[C@H](O)C2 28474062 NRKFYDQWSIYFGJ-FUMNGEBKSA-N 359.416 3.667 0 1 FHAF CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C 2356739026 VKFMRYVPGACJBB-ZEUVMRMGSA-N 374.613 3.941 0 1 FHAF COc1cccc(Nc2nc(-c3cccc4[nH]ncc34)nc3c2cnn3C)c1 64528118 YKEGMKBGSDKZQJ-UHFFFAOYSA-N 371.404 3.659 0 1 FHAF COc1cccc(N2CCN(Cc3coc(-c4ccccc4C)n3)CC2)c1 72184183 OKUARZFBYHNFFO-UHFFFAOYSA-N 363.461 3.981 0 1 FHAF CS(=O)(=O)c1ccc(-c2nccc3[nH]nc(-c4ccsc4)c23)cc1 74388353 JIRWHCYHYDBTMC-UHFFFAOYSA-N 355.444 3.757 0 1 FHAF C[C@@]12C[C@H]3C[C@@](C(=O)N4CCC(N)CC4)(C1)C[C@@](c1ccccc1)(C3)C2 1911571158 SPRIPTAQMFUFGD-FJTGNWTPSA-N 352.522 3.864 0 1 FHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC2CC2)cn1 142216325 RYZYJNRVHPFAEX-UHFFFAOYSA-N 363.417 3.764 0 1 FHAF COC(=O)c1cccc(-c2ccc3c(c2)SC(=N)N2CCCN=C32)c1 95573771 MEXFNRWXDOKUKF-UHFFFAOYSA-N 351.431 3.633 0 1 FHAF O=S(=O)(c1ccc2nc(C3(F)CCCCC3)[nH]c2c1)C(F)(F)F 587133175 ZHXKILUSTIEUBZ-UHFFFAOYSA-N 350.337 3.985 0 1 FHAF Nc1c(F)cc(-c2nc3cccc(I)c3[nH]2)cc1F 587134515 IGMHWYOAZBOMKY-UHFFFAOYSA-N 371.128 3.695 0 1 FHAF CC(C)[C@]1(c2nccn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587753835 JXPALPAVENXSSX-GTNSWQLSSA-N 366.278 3.756 0 1 FHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCO3)C(C)(C)C 587206268 WCYPXDHVYUKHDY-OAHLLOKOSA-N 361.442 3.774 0 1 FHAF O=C1COc2cc3[nH]c(-c4ccccc4-c4ccc(O)cc4)nc3cc2N1 586899117 UFBHMMNKUAPKDL-UHFFFAOYSA-N 357.369 3.933 0 1 FHAF Oc1nccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587122018 ILUFNBSPDABBOO-UHFFFAOYSA-N 355.341 3.996 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1C)O2 587396424 SEJJLSAFIONOPC-ZUOKHONESA-N 360.454 3.558 0 1 FHAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 587026556 FRXDAUBDCAJBEG-UHFFFAOYSA-N 366.402 3.510 0 1 FHAF CC[C@@H]1OC=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587357513 UDSHIOBIFXXZKY-DJPFJPOOSA-N 368.360 3.521 0 1 FHAF O=C1C[C@@H](c2cnc(Br)nc2)Oc2c1ccc1c2CCCC1 587495927 HAUMJWDYAUMKTD-HNNXBMFYSA-N 359.223 3.824 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(Br)cn1)[C@@H](C2)C3=O 587416388 AFGKDMTZEWFTPE-KPZWWZAWSA-N 374.234 3.824 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(Cc3ccc(F)cc3)c1)O2 587385766 UZVQSPZVVPMCPF-IBGZPJMESA-N 351.381 3.668 0 1 FHAF CC(=O)NC(C)(C)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587758970 ZLOUQQPQQLTLIC-DYZYQPBXSA-N 371.294 3.642 0 1 FHAF CCC[C@@]1(CNC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428290 JKRCJKRQYQDCTE-VLIAUNLRSA-N 361.438 3.506 0 1 FHAF COC(=O)COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520842 GFQMNXJXVHZPPD-HXUWFJFHSA-N 366.413 3.824 0 1 FHAF Cc1ccc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587386094 HSTOIIIVXPEGBW-NRFANRHFSA-N 352.434 3.947 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cn2)N1 587736598 WMGNHJWSWAUZJD-ABKXIKBNSA-N 353.210 3.920 0 1 FHAF Cc1cc(C)cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587276663 PVEJGQRYIWNVPA-UHFFFAOYSA-N 360.207 3.930 0 1 FHAF CCCS(=O)(=O)N1CCC(c2nc3cccc(C(C)(C)C)c3[nH]2)CC1 586951931 BWLZKMFZIPCJAJ-UHFFFAOYSA-N 363.527 3.780 0 1 FHAF CN1CCc2c(Br)cccc2[C@@H]1c1cnc(Cl)cc1O 963279619 HMXFOEAXEWEVPI-OAHLLOKOSA-N 353.647 3.780 0 1 FHAF O=c1ccc2cc3ccoc3c(OCc3cn(Cc4ccccc4)nn3)c2o1 1772646040 HZQLKZSXUXHMJN-UHFFFAOYSA-N 373.368 3.758 0 1 FHAF CSc1cccc(CNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)c1 12074678 RBYOWENNSZXWTP-SFHVURJKSA-N 374.550 3.844 0 3 FHAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N(C)C 4081799 JQSYGZFHFUYJQF-WMZOPIPTSA-N 358.825 3.529 0 1 FHAF Cc1noc(C)c1C(=O)N1CCC2(CCCN(Cc3ccccc3)C2)CC1 4238051 GQGFUTGKSKXFTG-UHFFFAOYSA-N 367.493 3.810 0 1 FHAF Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc(C)cc2=O)cc1 13581187 NBIGPKBERNTXMC-UHFFFAOYSA-N 354.427 3.994 0 1 FHAF O=C(O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c2ccccc12 13650632 ZALOAWGPQFUOEP-UHFFFAOYSA-N 359.357 3.600 0 1 FHAF O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 26479219 DIYWXMAFIJZOJZ-LOIQHOORSA-N 352.522 3.636 0 1 FHAF CCCN(CCC)c1nc(-c2ccc(Cl)cc2Cl)n(CCO)n1 26842708 COHZPGURAPFWQG-UHFFFAOYSA-N 357.285 3.871 0 1 FHAF Cc1cccc(OC2=C(c3ccc(S(C)(=O)=O)cc3)C(C)(C)OC2=O)c1 26939697 CBBRCRGHYBDUFY-UHFFFAOYSA-N 372.442 3.524 0 1 FHAF CCOc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl 35982848 SQOZTXLAGMMDLX-UHFFFAOYSA-N 364.236 3.980 0 1 FHAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@H]2C1(C)C)C[C@]4(O)CO 39095947 LSVUFTORLSKOSP-IGUHIKQPSA-N 364.526 3.684 0 1 FHAF O=C(O)c1cnn(Cc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 43208554 KQTGCGFVVSZGNY-UHFFFAOYSA-N 353.325 3.772 0 1 FHAF O=C(c1ccc(Oc2cccc(Cl)c2)nc1)N1CCCN(C2CC2)CC1 53293640 SASIOZSVIDJSAI-UHFFFAOYSA-N 371.868 3.838 0 1 FHAF Cc1ccsc1-c1cc(C(=O)O)c2cnn(Cc3ccncc3)c2n1 95585186 BFHSYHGLYPLEOJ-UHFFFAOYSA-N 350.403 3.610 0 1 FHAF O=C(N1C[C@@H]2C[C@@]2(c2c[nH]c3ncccc23)C1)C1(c2ccc(F)cc2)CC1 101528818 NVEWYSISVYQERO-OYHNWAKOSA-N 361.420 3.534 0 1 FHAF COC(=O)[C@@H]1C(C)=NC(=S)N[C@H]1c1ccc(-c2cccc(Cl)c2)o1 169691220 CWHULRFROPCFJI-CABCVRRESA-N 362.838 3.779 0 1 FHAF Cc1cc2c(cc1C)[n+](=O)c(C(F)(F)F)c(C(=O)c1cccs1)n2O 377829978 JAZNLRKXQVXAGO-UHFFFAOYSA-N 369.344 3.721 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 586916946 PXBIJCBQLHSHKU-XCLFUZPHSA-N 350.374 3.508 0 1 FHAF CCOc1n[nH]c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1Br 586978982 DWKIHNZPLLOVRG-UHFFFAOYSA-N 361.121 3.532 0 1 FHAF CCc1ccc(-c2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cs2)cc1 587015775 KSAYDOLFUSQMDP-UHFFFAOYSA-N 373.445 3.892 0 1 FHAF Cc1c(-c2nc3cc(F)c(F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029783 UCUUACNCCOSLRR-UHFFFAOYSA-N 358.373 3.991 0 1 FHAF COC(=O)c1cc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2cn1 587065921 FEXBOQIFTJVYNL-UHFFFAOYSA-N 359.813 3.718 0 1 FHAF N=c1[nH]ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c12 587138577 NIWWXQNMWMEYPX-UHFFFAOYSA-N 366.327 3.681 0 1 FHAF Cn1cncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345160 YOYRZTSSNAUESX-UYAOXDASSA-N 352.365 3.539 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)O2 587385698 DZJXNMZQOHDUGB-DOTOQJQBSA-N 362.470 3.850 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(Cc3ccc4c(c3)OCO4)C1)O2 587408446 MURHJUCTWDXIOA-UHFFFAOYSA-N 351.402 3.663 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1nc4ccc(Cl)cc4[nH]1)[C@@H](C2)C3=O 587420864 JNQOPKSEOAUMEL-BUXKBTBVSA-N 354.793 3.888 0 1 FHAF CCCCSc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587454424 YMVATDSTVRBJIB-KDOFPFPSSA-N 356.447 3.866 0 1 FHAF CCOC(=O)[C@H](F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C 587622505 ONHIJYPGONLNGN-LLVKDONJSA-N 354.179 3.689 0 1 FHAF CC[C@@]1(c2nccn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757984 WLETXEKQFBROBZ-MGPLVRAMSA-N 352.251 3.510 0 1 FHAF C[C@H](O)c1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856829 ZBFWVMWBGXBCLP-CYVIZDSUSA-N 371.275 3.722 0 1 FHAF COC(=O)c1csc([C@H]2c3ccsc3CCN2Cc2ccco2)n1 962714155 YUTSVDJPVLMLNT-OAHLLOKOSA-N 360.460 3.732 0 1 FHAF Cc1sc2c(c1C)CCN[C@]2(C)c1cc(CN2CCOCC2)cs1 963010276 MZICMUXGMOCDAU-LJQANCHMSA-N 362.564 3.668 0 1 FHAF Cc1ccc(-n2nnc([C@]3(C)NCCc4c3sc(C)c4C)c2C)cc1 963019450 HHRQZLKONIXMIL-FQEVSTJZSA-N 352.507 3.972 0 1 FHAF COc1ccc(Cl)c2c1CCNC21CCN(c2cccc(F)n2)CC1 963272326 ZSPMBSLTLDNYFF-UHFFFAOYSA-N 361.848 3.524 0 1 FHAF Cc1ccc(C)c([C@]2(C3CCC3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963547503 BPUNTJBJRPEHEG-REWPJTCUSA-N 365.473 3.960 0 1 FHAF C[C@H]1CCC(=O)N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857754501 FAXGIXNMCAWHNM-XJKSGUPXSA-N 372.415 3.692 0 1 FHAF CCC(=O)N(Cc1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccnc1 2356859364 STTMIERHNUQFMM-FQEVSTJZSA-N 369.465 3.603 0 1 FHAF COc1cccc(-c2ncc3ccccc3c2COC(=O)CCC(=O)O)c1 36388751 MGQUHZKQCWOLJX-UHFFFAOYSA-N 365.385 3.818 0 3 FHAF CC(=O)N1CCC(=C2c3cc(F)c(F)cc3CCc3cccnc32)CC1 576137 XWJJAWRVPJASIO-UHFFFAOYSA-N 354.400 3.903 0 1 FHAF CC1=C(C(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)C2(CCCCC2)OC1=O 4930735 JTMUVEIMTBJTEP-UHFFFAOYSA-N 369.396 3.731 0 3 FHAF COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC1CCCCC1 7005214 TUFQFEBUINGYJS-UHFFFAOYSA-N 364.467 3.578 0 1 FHAF Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c1 100632338 GKAVQMFVPQKDDL-KSSFIOAISA-N 366.486 3.669 0 1 FHAF CC=CC(=O)N(CCCC)[C@H](C(=O)NCc1ccccc1)c1cccnc1 2356863297 VEPRXSBWMULVMA-NRFANRHFSA-N 365.477 3.644 0 1 FHAF COC(=O)c1oc2ccccc2c1NC(=O)CSc1ccc(N)cc1 64512297 SRIHGOPQJUZFHR-UHFFFAOYSA-N 356.403 3.532 0 1 FHAF CCCCC[C@H](O)CCC[C@H](CCCCCCC(=O)O)S(C)(=O)=O 59381316 JJUSAJSCYGSBSG-IRXDYDNUSA-N 364.548 3.936 0 1 FHAF COc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O 34136362 MQLOIQSPLNLYGY-UHFFFAOYSA-N 358.353 3.586 0 1 FHAF CCCCC[C@@H](O)CC[C@@H]1SCC(=O)N1CCCCCCC(=O)O 59866797 SDYAOZOEQDVQPX-WBVHZDCISA-N 359.532 3.644 0 1 FHAF COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OC)[C@H](C)[C@@H]21 13408580 OBVLTWCOTSTMNM-YUNKPMOVSA-N 355.434 3.635 0 1 FHAF biogenic O=C(O)C(=O)Nc1nc(-c2ccc(Sc3ccccc3)cc2)cs1 40631766 AJKGBEHKCHBSNI-UHFFFAOYSA-N 356.428 3.984 0 1 FHAF O=C(NCc1ccc(Cl)cc1)c1ccc(OCCC(F)(F)F)nc1 45245924 LKWSJWOZLJYGMJ-UHFFFAOYSA-N 358.747 3.996 0 1 FHAF NC(=O)O[C@H](CCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 95576130 UKZJJKHPTXSTMH-LJQANCHMSA-N 373.884 3.689 0 1 FHAF O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)C[C@H](O)CC3 143419272 QAOJLWOHECWERU-LLVKDONJSA-N 362.834 3.769 0 1 FHAF Cc1ccnc2c1[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1Cl)CO2 146618638 OCRHQLBYMMEDKB-LBPRGKRZSA-N 370.758 3.855 0 1 FHAF CCc1c(-c2ccc(Oc3ncccc3Cl)cc2)n(C)c(O)nc1=O 261181981 WHKALTOOONYAIQ-UHFFFAOYSA-N 357.797 3.556 0 1 FHAF N=C(N)c1ccc2[nH]c(-c3cc(-c4ccc(CN)cc4)ccc3O)cc2c1 653833380 HSTSLQJLPNLDKE-UHFFFAOYSA-N 356.429 3.950 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2[nH]ncc12 587597759 WANBSCDHUXJAFZ-RXVVDRJESA-N 358.353 3.971 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccccc1OC1CCOCC1)[C@@H](C2)C3=O 587454935 ZNWZECWFCDNNQJ-HTAPYJJXSA-N 366.413 3.742 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccc4)[C@H](C)C1)[C@@H](C2)C3=O 587437876 LTNHJEMOGQTDCH-VVWXKSFDSA-N 363.457 3.866 0 1 FHAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587067523 FHQVXPFXPXXDLM-SNVBAGLBSA-N 366.826 3.911 0 1 FHAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)F)n1 587558973 YTTKEDZCKUXXAL-RDTXWAMCSA-N 372.327 3.766 0 1 FHAF CCn1ncc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587763331 JHSGMKHCLHEXOT-QGHHPUGFSA-N 366.278 3.911 0 1 FHAF CC(C)(C)OC(=O)[C@@]1(C2=COCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587535628 MFIRGSFIEYZNHW-QFIPXVFZSA-N 370.445 3.915 0 1 FHAF CCOC(=O)C[C@@]1(c2cccc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587397762 AUQPXQOGBTUVOO-OAQYLSRUSA-N 353.418 3.700 0 1 FHAF COc1cccc([C@@H](C)Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 587929948 DQUDCRRVMMTSPX-INIZCTEOSA-N 364.493 3.670 0 1 FHAF Cc1cc(F)c2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2c1 586921131 YTYIJXBECHVLFS-UHFFFAOYSA-N 358.438 3.516 0 1 FHAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(CO)cc2[nH]1 587199026 WQAABTYWFKZIIY-UHFFFAOYSA-N 372.428 3.581 0 1 FHAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CNC(=O)C[C@H]41)-c1ccccc1C2=O 587097032 NSHQOUOKIHFGMQ-WBMJQRKESA-N 354.409 3.530 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CCC[C@H](C2)N3C)N1 587770793 RBRQMXBLOROKDC-BTSAEYSWSA-N 367.306 3.964 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2nc(O)[nH]c2c1 587590643 SWJGLHHMNHJOFT-YLJYHZDGSA-N 374.352 3.677 0 1 FHAF C[C@H]1Cc2nc3ccc(O)c4c3c(c2C[C@H]1C(=O)O)-c1ccccc1C4=O 586989556 BFZBNVHWZREJAS-GXFFZTMASA-N 359.381 3.587 0 1 FHAF CC(=O)OC1=C(C)[C@@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587807930 FOTLRMQGYAJJBE-HUTHGQBESA-N 368.246 3.949 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](C)Nc2ccccc21 587483663 LJQSARTXHYMODY-LAJNKCICSA-N 351.402 3.589 0 1 FHAF CC[C@@]1(c2cnccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587774949 OPFPEJAIHNTIOO-HWPZZCPQSA-N 350.235 3.566 0 1 FHAF C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652124 LHWZIKAQJCIUSB-GFCCVEGCSA-N 368.820 3.646 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nccn23)N1 587772708 GFQYROKFPKRUIZ-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF CN(C)C(=O)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 586983210 XHFXOISRMDPCFP-UHFFFAOYSA-N 372.222 3.507 0 1 FHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(Cl)ccnc3[nH]2)cc1 587243952 CWVSCLPAMRCXLY-UHFFFAOYSA-N 367.796 3.751 0 1 FHAF CC[C@H](C)[C@@]1(C(=O)O)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955785 LYGSVBBBUDMDRY-KPZWWZAWSA-N 371.399 3.683 0 1 FHAF COc1ccc([C@@H]2COc3c(ccc(O)c3CC=C(C)C)C2=O)c(O)c1 1772655171 KNLHULLBWJHEPQ-KRWDZBQOSA-N 354.402 3.974 0 1 FHAF Cc1ccc2c(c1)CN(CCC(=O)NCc1ccc(Cl)cc1)C[C@H](C)O2 12158918 HNCGGMLSENKYQQ-INIZCTEOSA-N 372.896 3.938 0 1 FHAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)O[C@@H]1N2C 13475497 UIQTWEXHPAOUGM-FPOVZHCZSA-N 367.449 3.907 0 1 FHAF O=c1[nH]nc(Cc2ccc(C(F)(F)F)cc2)n1-c1cc(Cl)ccc1O 13558794 OQYUQHPYODOMRE-UHFFFAOYSA-N 369.730 3.529 0 1 FHAF Oc1cccc2c1CC[C@@H]1[C@@H]2CCCN1C/C=C/I 13781529 UFRAOVUFDVZUBA-SCSQUAGVSA-N 369.246 3.835 0 1 FHAF COc1ccc(CN(C)C(C)C)cc1OC1CCN(C(=O)C2CCC2)CC1 14975735 BTBSAKZKBYKBDV-UHFFFAOYSA-N 374.525 3.705 0 1 FHAF CC(=O)[C@@]12[C@H](c3ccccc3)[C@@H]3CCN(C(=O)N[C@@H]1c1ccccc1)[C@@]32C 169355485 ZXKPEKZKEYGWNX-NDHNYZRRSA-N 360.457 3.904 0 1 FHAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 169723980 ZJIGUKOOTNNYSF-RDJZCZTQSA-N 361.413 3.789 0 1 FHAF CS(=O)(=O)Nc1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 1251393688 CYYGGHSOLFRTJA-UHFFFAOYSA-N 355.341 3.620 0 1 FHAF Cc1cc2c(cc1Cl)SC(C(=O)c1ccccc1)=NS2(=O)=O 6522195 GJFBTZJQJXSNKB-UHFFFAOYSA-N 351.836 3.724 0 1 FHAF CCc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1 13441876 UOMXJUXRUAJKEQ-FQEVSTJZSA-N 365.477 3.604 0 1 FHAF C[C@H](C(=O)O)[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 13582101 WQUYUZJNAIWNRJ-JWWUQCTPSA-N 364.526 3.698 0 1 FHAF CC1(C)C=Cc2c(cc3c(c2O)[C@@H]2Oc4cc5c(cc4[C@H]2CO3)OCO5)O1 14613188 NMOUYFFKLRGDSS-MPBGBICISA-N 366.369 3.915 0 1 FHAF biogenic O=C(C1CC1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc(Cl)cc2)c1=O 25230576 MDUAOLXUKKIOIN-CJNGLKHVSA-N 368.864 3.524 0 1 FHAF biogenic CCCN(CC)C[C@@H](C(=O)Nc1ccc(OC)cc1C)N(CC)CCC 26005488 MQLXDNJQGASGPJ-FQEVSTJZSA-N 363.546 3.775 0 1 FHAF O=C(O)C(=O)c1ccc(-n2cc(-c3ccc(-c4ccccc4)cc3)nn2)cc1 28640398 BIDPKIWZFVFNPK-UHFFFAOYSA-N 369.380 3.869 0 1 FHAF COCc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)c1 45168793 IYTRLQGSCMXKPN-UHFFFAOYSA-N 368.458 3.548 0 1 FHAF O=C(c1ccc(Cn2ccc3ccccc32)cc1)N1CC[C@H](N2CCCC2)C1 45374037 LRYZIKHXEUKDPW-QFIPXVFZSA-N 373.500 4.000 0 1 FHAF COc1ccc(N(C(=O)c2cnc(-c3ccccc3C)cn2)C(C)C)cn1 49066494 ORHJUUZFBBHDBO-UHFFFAOYSA-N 362.433 3.911 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2csnc2c1=O 49112378 PJHLWBWESJUHAG-UHFFFAOYSA-N 362.410 3.872 0 1 FHAF O=C(O)c1cn(Cc2ccc(-c3cccnc3)cc2)c2ccsc2c1=O 49125740 NUTZYNZCZPEGHK-UHFFFAOYSA-N 362.410 3.872 0 1 FHAF COCc1cc2cc(NC(=O)c3ccccc3Br)cnc2[nH]1 68245479 ZWXCSTVTBKAEAD-UHFFFAOYSA-N 360.211 3.724 0 1 FHAF Cc1n[nH]c2nc3ccc(C(F)(F)F)cc3c(CN3CCCOCC3)c12 73224768 QEMVIZGTFFUQQE-UHFFFAOYSA-N 364.371 3.661 0 1 FHAF COCCn1c(C(C)C)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185193 KXGKZRXLDHQLIM-UHFFFAOYSA-N 359.861 3.862 0 1 FHAF O=C(N1CC[C@@H](c2c[nH]c3ncccc23)C1)C1(Oc2ccc(F)cc2)CC1 84714860 KCBVNBGEYCNXOY-CQSZACIVSA-N 365.408 3.630 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21 100654084 FHWOSRUUSHMKKA-FWCYYJLNSA-N 356.466 3.595 0 1 FHAF CSc1ccc2c(c1)c(O)c(C(=O)n1ccc3ccccc31)c(=O)n2C 100989796 BKOXZJICXXTGHT-UHFFFAOYSA-N 364.426 3.609 0 1 FHAF C[C@H](NCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O 114592177 VKYVRPLCWFDNGH-AWEZNQCLSA-N 365.408 3.643 0 1 FHAF CCN1c2ccccc2N[C@H]2[C@@H]1[C@@H](C(C)=O)C(=O)N2c1ccc(Cl)cc1 169295828 ZAWXEKWIVKRFGX-CEXWTWQISA-N 369.852 3.539 0 1 FHAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3cccnc3)nn3ccnc23)n1 207412779 JQEBBDIEGDIYOA-HNNXBMFYSA-N 371.448 3.919 0 1 FHAF CC[C@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 223660142 QMVULBUNHMZOMI-ZDUSSCGKSA-N 354.479 3.748 0 1 FHAF CN1CCN(c2ccc3nc(-c4cccc5c4OCC5(C)C)[nH]c3c2)CC1 586911300 GNUAFHAMECVOSQ-UHFFFAOYSA-N 362.477 3.652 0 1 FHAF Cc1cc(Br)cc2nc(CSc3cccc[n+]3[O-])[nH]c12 586969030 FXXCYSSKMDJWRD-UHFFFAOYSA-N 350.241 3.560 0 1 FHAF COC(=O)[C@H]1CCc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O 586990852 GWJGMTITNUSBQW-GFCCVEGCSA-N 373.408 3.820 0 1 FHAF COC(=O)[C@H]1CCCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586992151 PDWHZMVXAQWKGL-LBPRGKRZSA-N 373.408 3.820 0 1 FHAF COC(=O)c1ccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2c1OC 587021039 IDNOREVOWQYXGR-UHFFFAOYSA-N 368.418 3.785 0 1 FHAF OC1(c2nc3cncc(Br)c3[nH]2)CCC(C(F)(F)F)CC1 587126530 LAQKRCNVXSZQGO-UHFFFAOYSA-N 364.165 3.661 0 1 FHAF Cc1c([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C 587518026 YWWUCYZBYPXDPT-LEQVUBRHSA-N 365.477 3.543 0 1 FHAF CCn1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587736936 CKASYAHMRBZFAF-RTHLEPHNSA-N 356.214 3.567 0 1 FHAF CC(C)N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587768874 NBNMOALSNNNKHN-GFCCVEGCSA-N 355.295 3.822 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3ccccc3n2)N1 587774066 LDULNIFDPSUBEV-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)Nc1ccc(C)cc1 587870196 BNLKCBYVBXYZQA-UHFFFAOYSA-N 367.380 3.675 0 1 FHAF CO[C@H](C)COC1CCC(c2nc3cc(Br)cnc3[nH]2)CC1 587952265 NUMUUTHAJYHFPD-XSRFYTQQSA-N 368.275 3.798 0 1 FHAF Cn1nc(C(F)(F)F)c([C@@H]2c3c(F)cccc3C[C@H]3CCCN23)c1F 963095925 DVJWDWXFYPSWDW-YGRLFVJLSA-N 357.326 3.827 0 1 FHAF COC(=O)C[C@@]1(c2ccccc2OC)c2ccc(F)cc2C[C@H]2CCCN21 963104940 IRMIAJSMPJHPOO-VGSWGCGISA-N 369.436 3.662 0 1 FHAF O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1[C@@]1(c2ccccc2)NCCc2ccc(O)cc21 963353837 ULNNAFRZLYYIHQ-RQMPVFAYSA-N 363.457 3.528 0 1 FHAF COc1cc(-c2[nH]c(=N)[nH]c2-c2ccc(Cl)cc2)cc(OC)c1OC 1857595471 OWOGEJVWDDISPS-UHFFFAOYSA-N 359.813 3.835 0 1 FHAF Cc1cnc(-c2nc3cc(-c4nc5c(C)ncc(C)n5n4)ccc3[nH]2)s1 1857629848 XYUBPZIQKORLBE-UHFFFAOYSA-N 361.434 3.716 0 1 FHAF CCCCCC(=O)CC[C@@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O 2356318279 CUJMXIQZWPZMNQ-ZIFCJYIRSA-N 352.471 3.683 0 1 FHAF CSC=CC(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356780970 HFDMONMBQKMBPO-FPEJHWISSA-N 350.480 3.863 0 1 FHAF CC[C@@H]1CN(Cc2ccncc2)CC[C@@H]1CC(=O)NCc1cccs1 2356872208 YQJPLAFIIYLSFE-QZTJIDSGSA-N 357.523 3.698 0 1 FHAF COc1ccc(C[C@H](N)c2csc(NC(=O)Cc3ccccc3)n2)cc1 61903368 LBGALCFHBZRIHP-KRWDZBQOSA-N 367.474 3.575 0 3 FHAF CC(C)CNC(=O)[C@]1(C)CCCN1Cc1ccc(OC(F)(F)F)cc1 61908797 FXNQRDCCMYTWIM-KRWDZBQOSA-N 358.404 3.712 0 3 FHAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4049898 SGZCOJXRSHIJTE-QUCCMNQESA-N 352.434 3.703 0 1 FHAF COc1ccc2[nH]cc(CCNc3ccnc(-c4c(C)noc4C)n3)c2c1 4266985 HXTODKAEIKGASN-UHFFFAOYSA-N 363.421 3.893 0 1 FHAF CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1cccc(OC)c1)C2=O 13779811 ZGUMPRJSWQQMSQ-UHFFFAOYSA-N 365.408 3.785 0 1 FHAF COc1ccc2[nH]c3c(c2c1)[C@H](C)C[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 17213518 SFCLGEAVEWJOBM-GFJSAUFNSA-N 360.413 3.957 0 1 FHAF CSc1ccc2c(C(=O)N(C)CC(=O)O)cccc2c1C(F)(F)F 26501307 CTMJOWJXYPMWRI-UHFFFAOYSA-N 357.353 3.737 0 1 FHAF Nc1ccc(C(=O)c2cc3cc(I)ccc3o2)cc1 72173534 SQLLQQIGUNBCNV-UHFFFAOYSA-N 363.154 3.851 0 1 FHAF COc1cc2c(c3c1C(=O)[C@@H](O)[C@@H](c1ccccc1)O3)C=CC(C)(C)O2 95486274 RUDILYVZCUZXBH-RTBURBONSA-N 352.386 3.557 0 1 FHAF biogenic,in-vitro COc1ccncc1CNCCCNc1ccnc2cc(Cl)ccc12 96928863 FQPMDCJJGUCYHD-UHFFFAOYSA-N 356.857 3.884 0 1 FHAF CC(C)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 142188962 BCQVXCCWNGHILE-UHFFFAOYSA-N 355.369 3.593 0 1 FHAF O=C(C(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1c[nH]c2ccccc12 146541659 KBSSWFFVGIVYBE-UHFFFAOYSA-N 366.392 3.560 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1cc3ccn(C)c3cc1[C@H](O)CC2 205428230 KGQQFMPMJCODHH-QGZVFWFLSA-N 353.418 3.851 0 1 FHAF O=c1c2c(oc3ccc(Br)cc13)-c1ccccc1OCCO2 299863041 KLAXAJRQLLJYSL-UHFFFAOYSA-N 359.175 3.994 0 1 FHAF CCS(=O)(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 587031067 ADPWOABHPJLZQY-UHFFFAOYSA-N 358.444 3.944 0 1 FHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3nc(Br)c[nH]c-3n2)n1 587080671 SJLZWLJDMJUOQU-ZCFIWIBFSA-N 355.627 3.555 0 1 FHAF Cc1cccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 587113374 QVFZREDJRUREFJ-UHFFFAOYSA-N 358.327 3.592 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Cc3ccccc32)[C@@H]1c1ccc(F)cc1 587355850 XCMDTDVVLIMSCC-FYYLOGMGSA-N 374.367 3.911 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(Cl)c(Cl)cc21 587379255 GUORMNAKQPOPLJ-QGZVFWFLSA-N 363.200 3.697 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC(=O)OC)c1)CC2=O 587482279 NLQPDWMNFSNMRH-IBGZPJMESA-N 370.401 3.603 0 1 FHAF CCn1cc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517727 TUEDGKKXENTJEB-LEQVUBRHSA-N 365.477 3.718 0 1 FHAF Cc1cc(C)cc(OCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 587565093 VFMLVXVRABZBQD-UHFFFAOYSA-N 350.466 3.511 0 1 FHAF C[C@@]1(c2ccc(F)cc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566999 DIPWWMSFIITJQD-RXVVDRJESA-N 365.360 3.991 0 1 FHAF CC[C@@]1(c2cnn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587762130 DKANVQOQTOKLKY-DYZYQPBXSA-N 366.278 3.818 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncn3ccccc23)N1 587774529 WEOZTAMQTLYSRM-BMLIUANNSA-N 360.230 3.860 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccnn1 587858951 QOMYMOQTDBIZKX-UHFFFAOYSA-N 363.204 3.734 0 1 FHAF COc1cccc([C@H](C)Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 587929969 DQUDCRRVMMTSPX-MRXNPFEDSA-N 364.493 3.670 0 1 FHAF O=C(CCc1ccccc1)c1nc2c(C(=O)O)cc(Br)cc2[nH]1 587953598 NELHRQNYUARMGX-UHFFFAOYSA-N 373.206 3.839 0 1 FHAF COc1ccc2c(c1)CC[C@]1(C2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963602633 AGEBSZPBAYGAPT-JLCFBVMHSA-N 353.462 3.631 0 1 FHAF C/C=C/C=C/c1c(CC=C(C)C)cc2c(c1CO)OC(C)(C)[C@@H](O)C2=O 1857587633 ZNFQXDMVJMBYTQ-YGDVUYPLSA-N 356.462 3.992 0 1 FHAF C[C@@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21 2356866649 VODICXPZWAGZPJ-RKCSVJPLSA-N 350.455 3.619 0 1 FHAF CC(C)[C@H]1CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 100852710 AYIPPDCLGFAXBJ-KDURUIRLSA-N 355.526 3.630 0 1 FHAF COc1ccc(/C(O)=C/C2=NCCc3cc(OC)c(OC)cc32)cc1OC 101781549 CWQIOGKREFMNFS-ATVHPVEESA-N 369.417 3.665 0 1 FHAF CC=C(C)C(=O)OC(C)(C)[C@@H]1Cc2c(cc3oc(C)cc(=O)c3c2OC)O1 2356429095 KAGWZYJXIXLTRQ-KRWDZBQOSA-N 372.417 3.702 0 1 FHAF CCCCC/C=C\C[C@H]1O[C@H]([C@H](O)C/C=C\CCCC(=O)O)C[C@@H]1O 28895927 AWZVRICAMPEGBC-KZNJAZBLSA-N 354.487 3.594 0 1 FHAF COc1cc(NC(=O)[C@H]2COc3ccc(C)cc3C2)ccc1-c1cn[nH]c1 40919123 UOXRTIKWBSTCSB-OAHLLOKOSA-N 363.417 3.584 0 1 FHAF CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2CCOC 82186154 ALNWWAJSUMHKTB-UHFFFAOYSA-N 369.469 3.750 0 1 FHAF Cc1cccnc1-c1cc(N2CCN(C(=O)C(C)(C)C)CC2)ncc1Cl 142030543 SCSAQWDIIRFKGI-UHFFFAOYSA-N 372.900 3.800 0 1 FHAF CCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253695563 BQWMLHMOZSVPKK-KVWWIYBASA-N 360.542 3.602 0 1 FHAF O=C1O[C@]2(C(=O)N(c3ccccc3)C(=O)N2c2ccccc2)c2ccccc21 653847626 FBXHJFUSZQBNMH-QFIPXVFZSA-N 370.364 3.683 0 1 FHAF COC(=O)c1cc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2cn1 587237235 NEOPYGMJPTXXIO-UHFFFAOYSA-N 350.422 3.934 0 1 FHAF COc1cc(O)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587805322 FWACCTDTZGECSS-VVVCHXIZSA-N 366.230 3.926 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1cc(C(C)=O)c(C)nc1C)[C@@H](C2)C3=O 587436652 STDQUCHTKKYMGB-LAUBAEHRSA-N 351.402 3.572 0 1 FHAF CCOC(=O)C[C@@]1(Cc2cccc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587399763 MDDIVNDWCLRBOL-JOCHJYFZSA-N 367.445 3.786 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc(C(C)(C)C)cc1)O2 587410256 ZERGOAVMPUBGLE-NRFANRHFSA-N 353.418 3.820 0 1 FHAF Cc1nc(O)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609833 DQGWWPRDXYFXCA-LIRRHRJNSA-N 369.398 3.740 0 1 FHAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(Cl)nc3)n2)cc1 587924257 OTLSMWKEVCYMFJ-UHFFFAOYSA-N 365.867 3.897 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(OC)cc1 587870351 FOGZJYPOLJXGSZ-UHFFFAOYSA-N 370.380 3.816 0 1 FHAF CCn1ncc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)c1C 587637598 DIDVHPJVCJLRSL-UHFFFAOYSA-N 365.311 3.803 0 1 FHAF N[C@@]1(c2nc3cc(Br)cc(F)c3[nH]2)C[C@H]1c1ccccc1F 587155059 HOZOCRWSYZHFJZ-QFYYESIMSA-N 364.193 3.945 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CCc1ccc(OC(C)=O)cc1)[C@@H](C2)C3=O 587440997 DLERWHUNNNXPJG-PGRDOPGGSA-N 366.413 3.759 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)NC1CCCCCCC1)O2 587391612 VMIVWNZVXUMWOE-NRFANRHFSA-N 358.482 3.920 0 1 FHAF CCC(=O)Nc1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587432830 NERQLVSWWIZHBQ-IIBYNOLFSA-N 351.402 3.707 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](C)Nc2ccccc21 587483656 LJQSARTXHYMODY-GTJPDFRWSA-N 351.402 3.589 0 1 FHAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587572105 NJZPFTCOBBWFFM-GHTZIAJQSA-N 362.385 3.556 0 1 FHAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cc(C(=O)OCC)n(C)n1 963226931 ITNJMOTXVHKFEN-YCRPNKLZSA-N 355.482 3.517 0 1 FHAF O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1nc[nH]n1 5650308 ZEOJGLNTZPBNDX-UHFFFAOYSA-N 355.810 3.987 0 1 FHAF CC(=O)c1cc(CN2CC[C@@]3(CCCN(CC(C)(C)C)C3=O)C2)cs1 11841558 LCTHVCSVSBQKDQ-FQEVSTJZSA-N 362.539 3.811 0 1 FHAF CCOC(=O)c1[nH]nc2c1C[C@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]21C 13672636 WMQJMIBEOIXGLX-LVOOAJGHSA-N 366.461 3.862 0 1 FHAF CC(=O)c1ccc([C@H]2C=C[C@H](Oc3ccc(F)cc3C)[C@H](CO)O2)cc1 13783158 ORMRPUROBPYGCF-HKBOAZHASA-N 356.393 3.773 0 1 FHAF O=C(NCc1cccc(Cl)c1C(F)(F)F)[C@@H]1COc2ncccc21 205624630 CYUWZDWKCCCIIT-LLVKDONJSA-N 356.731 3.546 0 1 FHAF COC(=O)N[C@@H](C)c1nc(-c2ccc(Oc3ccc(O)cc3)cc2)no1 1857576160 JGPIPHMBCQHAQT-NSHDSACASA-N 355.350 3.652 0 1 FHAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OC 4049901 SGZCOJXRSHIJTE-AZUAARDMSA-N 352.434 3.703 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4212176 MBYMWWBZTIIEEU-VDGAXYAQSA-N 359.514 3.767 0 1 FHAF CCc1ccc(C2=NN(CCC(=O)NC3CCC(C)CC3)C(=O)CC2)cc1 4668339 YIWUVVFSIISYIT-UHFFFAOYSA-N 369.509 3.661 0 1 FHAF Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)NC(C)C 6772656 PFCHQIVDTLCQQG-UHFFFAOYSA-N 350.466 3.779 0 1 FHAF NCCCCCN1CCN(CCCCCCCOc2ccccc2)CC1 103192196 AIWHZHVUUXIGJP-UHFFFAOYSA-N 361.574 3.763 0 1 FHAF CCC[C@H]1CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 100852706 NHTGUVBHHDMIOT-KDURUIRLSA-N 355.526 3.774 0 1 FHAF C[C@H](Sc1n[nH]c2c3ccccc3nc-2n1)C(=O)N(C)C1CCCCC1 102537790 HDNGGQBQGPRTEO-LBPRGKRZSA-N 369.494 3.729 0 1 FHAF COC(=O)c1cc2cc(OCCc3ccc(Cl)cc3)ccc2oc1=O 103270417 JTMIDHFDFOIFBW-UHFFFAOYSA-N 358.777 3.855 0 1 FHAF Cc1c(-c2ccc(=O)n(Cc3ccccc3)c2)c2ccccc2n1CC(=O)O 117015518 DHXXOIFBEVMKQX-UHFFFAOYSA-N 372.424 3.911 0 1 FHAF CC[C@H](C)OC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@H](C)N2 26399975 WVXFSVJFLMMMFT-RYUDHWBXSA-N 353.426 3.946 0 1 FHAF COc1ccc(-c2nc(CNCCCN(C)c3ccccc3)co2)cc1 72141208 WEOOKLUEBNUOOZ-UHFFFAOYSA-N 351.450 3.966 0 1 FHAF OCCOc1ccc(C2(c3ccc(OCCO)cc3)C[C@@H]3CC[C@H]2C3)cc1 29040760 OHBQNPOQGFFFTL-XLIONFOSSA-N 368.473 3.535 0 1 FHAF CO[C@H]1OC(=O)C2=C1[C@]1(C)CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@H]1CC2 38963205 APEVQNKHLPKOPW-SOEYYFHNSA-N 362.466 3.920 0 1 FHAF CO[C@H]1C[C@@H](CC[C@@]2(C)[C@H](C)[C@H](O)C[C@@]3(C)C(CO)=CCC[C@@H]32)CO1 85671140 GOCXWVDTBKRQRK-RCCKSBRTSA-N 352.515 3.518 0 1 FHAF biogenic COc1cc(CNc2cc(-c3ccc(F)cc3)ncn2)cc(OC)c1OC 82161274 DGJQUDSGYVQXLL-UHFFFAOYSA-N 369.396 3.921 0 1 FHAF CCC/N=c1\c(NC(=O)c2c(F)cccc2F)c(O)oc2ccccc12 617997467 JEMRKLWPSCKRBJ-JWGURIENSA-N 358.344 3.980 0 1 FHAF CN(C(=O)C(C)(C)C)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 261187224 XUVZILXTMHUZNS-MZMPZRCHSA-N 352.469 3.898 0 1 FHAF COc1ccc2c(=O)c(OC)c(-c3ccc(OC)c(C)c3OC)oc2c1 299830882 YSPSVESMCMMXIN-UHFFFAOYSA-N 356.374 3.803 0 1 FHAF COc1ccc(C=O)c(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)c1OC 587786073 GWDWHNFEPFCUMJ-UHFFFAOYSA-N 352.724 3.991 0 1 FHAF CCOc1n[nH]c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1Br 586979651 HKRHGNSFXQPCJR-UHFFFAOYSA-N 361.243 3.993 0 1 FHAF O=Cc1ccc(OCCc2nc3ccc(F)c(Br)c3[nH]2)cc1 587566551 SGMNTGGDLHCMQU-UHFFFAOYSA-N 363.186 3.899 0 1 FHAF COc1ccccc1-c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 587931573 KJMFKOUDAKSANA-UHFFFAOYSA-N 350.403 3.690 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(/C(=C/OCC)C(=O)OCC)CC2=O 587477898 HXCUGKPAIHXAAO-IZLCOFNUSA-N 362.422 3.552 0 1 FHAF Cc1nccc2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc12 587001984 CVJLYWMIXBYGIQ-JTQLQIEISA-N 372.222 3.664 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)NC1CCCCCCC1)O2 587391620 VMIVWNZVXUMWOE-OAQYLSRUSA-N 358.482 3.920 0 1 FHAF C[C@]1(c2ccc(F)c(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557620 NWJKIXZLSVWIGC-GHTZIAJQSA-N 365.360 3.991 0 1 FHAF CC[C@]1([C@H](C)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350903 LVAWJQQTZWWAOE-CECALHEMSA-N 372.392 3.848 0 1 FHAF COc1cccc(-n2cccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587432036 TXFAINYZGSIVQN-VGSWGCGISA-N 361.397 3.983 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(F)c1)(C1CCNCC1)O2 587385438 OBPMFFBRHYJTBQ-OAQYLSRUSA-N 372.415 3.716 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(OCC)cc21 587487548 WBOZWPOAHGBMDT-NRFANRHFSA-N 367.401 3.556 0 1 FHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)OC)cc2[nH]1 587928102 WOFSNGAIYXJCGY-CQSZACIVSA-N 354.406 3.909 0 1 FHAF Nc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575328 JDTXXIJCMDVSNP-KNQAVFIVSA-N 359.381 3.778 0 1 FHAF CCOC(=O)[C@]1([C@@H]2CCCCCC2=O)c2ccc(F)cc2C[C@H]2CCCN21 963102609 NBOCYQNWWRCDSI-SFGWALBWSA-N 373.468 3.754 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1cccc3cn(C)nc13)N(C)[C@@H](C)C2 962635945 VEQVTZDSAGAUSR-ZSEKCTLFSA-N 351.450 3.556 0 1 FHAF COc1cc(CNCCC(C)(C)C)ccc1Oc1ccc(C(N)=O)cn1 165355058 OHHQIRLRDUVKEN-UHFFFAOYSA-N 357.454 3.507 0 1 FHAF COC(=O)C/C=C\[C@H](C)[C@@H](OC)c1c(Br)ccc2c1OCO2 169343848 WGONEYCOJVMLLL-LQRZNIRHSA-N 371.227 3.621 0 1 FHAF Cc1ccc(CN2CCCC[C@@H](NC(=O)c3ccc(C)cc3)C2=O)cc1 200053039 WXFHUDPKMRUKCT-HXUWFJFHSA-N 350.462 3.615 0 3 FHAF CCOCC=Cc1ccc2c(c1)[C@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 2356332779 IZWXWZBLJVFVIF-UWJYYQICSA-N 356.418 3.660 0 1 FHAF C[C@@H](CO)[C@@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 28476515 GBDKABQMLPYTIM-QFYYESIMSA-N 360.809 3.762 0 1 FHAF NC(=O)c1cccc(-c2coc3c(C(=O)NCc4cccnc4)cccc23)c1 61930423 QKXLKDLWDXBKBK-UHFFFAOYSA-N 371.396 3.524 0 3 FHAF Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](O)CC3)cc12 114712443 SOKGISXMMUGLIT-OTVXOJSOSA-N 361.511 3.945 0 1 FHAF c1ccc2cc(OCCO[C@H]3CCCC[C@@H]3N3CCOCC3)ccc2c1 117029394 GUACQORHQAFRFP-VXKWHMMOSA-N 355.478 3.879 0 1 FHAF COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 35302705 MRCKSWXOWOMYII-KRWDZBQOSA-N 365.429 3.657 0 1 FHAF COc1ccc(Cn2c(N3CCC(N(C)C)CC3)nc3ccccc32)cc1 43059092 GIEBQTVDYXTBCS-UHFFFAOYSA-N 364.493 3.624 0 1 FHAF N=C(NCc1ccc(Br)cc1)SCCCc1c[nH]cn1 43119166 LGSIVNPVZWSJGX-UHFFFAOYSA-N 353.289 3.563 0 1 FHAF COc1ccccc1N1CCN(CCc2cc(Cl)c3nc[nH]c3c2)CC1 40836599 DPEPWTDRWMJSAM-UHFFFAOYSA-N 370.884 3.590 0 1 FHAF CCOC(=O)N1CCC(Nc2cc(-c3cccc(OCC)c3)ncn2)CC1 82161843 MZFQRVUECVSUNS-UHFFFAOYSA-N 370.453 3.575 0 1 FHAF Cc1ccc(S(=O)(=O)N[C@@H](C)COc2cccc3ncccc23)c(C)c1 149989716 DFMPRPALEBOAEP-INIZCTEOSA-N 370.474 3.597 0 1 FHAF Fc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2c(F)c1F 587005586 LXKQPBCLCTTWIB-UHFFFAOYSA-N 363.524 3.853 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC3(C2)OCCO3)N1 587840555 ZFCQRKNBMWSLIA-ZBEGNZNMSA-N 370.262 3.635 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)c(Cl)c1)O2 587372844 AWGPDFSMEZGIRP-IBGZPJMESA-N 372.852 3.774 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCN(Cc3ccccc3)C1)O2 587392994 FCGACLBFAOBLCQ-QFIPXVFZSA-N 350.462 3.967 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC(O)CC3)o1)CC2=O 587475600 PZIINJQBKHXOKR-LJQANCHMSA-N 371.433 3.605 0 1 FHAF CC(C)Oc1cc2[nH]c(/C=C/C=C/C(=O)O)nc2cc1Br 587965691 OUYNLZYHACMNPA-GGWOSOGESA-N 351.200 3.767 0 1 FHAF Ic1nccnc1-c1nc2cc3ccccc3cc2[nH]1 587186665 NXAMMICMLAZXCL-UHFFFAOYSA-N 372.169 3.778 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N(C)C)n2)N1 587753292 HCPODUBJKAOVEH-QGHHPUGFSA-N 364.262 3.673 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4nc(O)sc4c1)[C@@H](C2)C3=O 587451871 LFHSYJMJRDFHKA-BUXKBTBVSA-N 353.399 3.673 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cncc2F)N1 587736443 VXWYNPJYBGPKBZ-ZIDLFYJRSA-N 357.173 3.885 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cncc2F)N1 587736440 VXWYNPJYBGPKBZ-MLXNANBUSA-N 357.173 3.885 0 1 FHAF CC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)c1 587748617 ANXCVTCFNLINOF-XYZCENFISA-N 365.246 3.753 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(C(=O)OC)c1)CC2=O 587478375 JFMIHQMJFSUKEZ-OAQYLSRUSA-N 370.401 3.718 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(NC(=O)OC(C)(C)C)CC1)O2 587390994 QGOCGJXCBDPMBL-UHFFFAOYSA-N 360.454 3.749 0 1 FHAF COC(=O)c1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2c(F)c1Nc1ccccc1 587247635 VKQPJNSPDVTLRF-NWDGAFQWSA-N 368.412 3.827 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)cc(C)cc21 587484960 OXBPNYQAOQVUKR-OAQYLSRUSA-N 351.402 3.774 0 1 FHAF O[C@H](c1ccc(Br)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 586996726 JUJABAOTVHVOPE-CYBMUJFWSA-N 357.129 3.824 0 1 FHAF COc1c(Cl)ncc(Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587378568 CKTJHZSZNGHGIS-GFCCVEGCSA-N 353.205 3.994 0 1 FHAF COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3C(F)(F)F)nc2c1 587092350 DUGPZQTXISPJSN-BQBZGAKWSA-N 363.133 3.778 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc4c(c3)COC4)C2)cc1 1772587558 ZAOYGJYLJOXXTE-NYHFZMIOSA-N 366.461 3.572 0 1 FHAF Nc1ncnc2c1c(-c1ccc3cc[nH]c3c1)nn2C1Cc2ccccc2C1 1772647054 QQASBLHXMJULTK-UHFFFAOYSA-N 366.428 3.897 0 1 FHAF O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc3nonc3c2)C1 13593486 LOKCGQMABNKXKB-HNNXBMFYSA-N 355.825 3.971 0 3 FHAF CCC[C@@H](C(=O)c1cccc(I)c1)N1CCCC1 13682060 NYDUTEZMPZHSRY-AWEZNQCLSA-N 357.235 3.738 0 1 FHAF in-vivo C[S@](=O)c1ccc(C(=O)CC2CCN(Cc3ccccc3)CC2)cc1 13729912 FDANJYRCEXIYKH-RUZDIDTESA-N 355.503 3.909 0 1 FHAF COc1ccc([C@H](C)NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1 13863220 GUESXEAKIHDRJT-NSHDSACASA-N 356.809 3.890 0 1 FHAF C[C@@H]1C[C@@]2(C[C@@H](CN(C3CCCCC3)C3CCCCC3)OC2=O)C(=O)O1 17131303 NEYOBFYBCKOYGK-FYINFDKHSA-N 363.498 3.591 0 3 FHAF CN(C)CCCN=c1[nH]c(/C=C/c2ccc(F)cc2)nc2ccccc12 1857560545 JFMDQUNZJASHDL-JLHYYAGUSA-N 350.441 3.725 0 1 FHAF CC(C)[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC(C)(C)C 4902103 IQLLVVRAXNQGAB-SECBINFHSA-N 353.271 3.546 0 3 FHAF CC1=CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)O)c21 6733323 OCRFJQHVDVDJIO-UHFFFAOYSA-N 361.394 3.674 0 1 FHAF C[C@@H](OC(=O)COc1ccccc1Cl)P1(=O)OCC(C)(C)CO1 103174174 ZNILFOGCKFCFGS-NSHDSACASA-N 362.746 3.874 0 1 FHAF O=C(CCc1ccccc1)c1ccccc1OCCCCN1CCOCC1 28634853 NJYWMZWZHQVAAU-UHFFFAOYSA-N 367.489 3.993 0 1 FHAF Cc1cc2nc(N3CCN(c4ncccc4Cl)C[C@@H]3C)[nH]c2cc1C 28355043 RYPYYHQRNAEOIS-AWEZNQCLSA-N 355.873 3.943 0 1 FHAF Cc1cc(-c2ccc(NS(C)(=O)=O)cc2)n(-c2ccc(Cl)cc2)n1 29405533 GEUMKTAAPQZMEC-UHFFFAOYSA-N 361.854 3.873 0 1 FHAF COc1ccc([C@](C)(NC(C)=O)c2nc(-c3ccncc3)cs2)cc1 61904973 NGCHVOAXIUFQEI-IBGZPJMESA-N 353.447 3.613 0 3 FHAF COCOc1cccc(CN2CC[C@@](C)(Oc3cccc(OC)c3)C2)c1 61898617 RJDPYSYDYYTXIG-OAQYLSRUSA-N 357.450 3.721 0 3 FHAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@H](C)C(=O)NC1CCCC1)C2 4222654 PDEJFNCQEJWTPK-GOEBONIOSA-N 373.493 3.567 0 1 FHAF biogenic CC(C)Nc1cc(-c2[nH]c([S@](C)=O)nc2-c2ccc(F)cc2)ccn1 71296677 FPBUKJCQUGQXRA-RUZDIDTESA-N 358.442 3.836 0 1 FHAF O=C(CCC(F)(F)F)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 71296274 SCFIMEQFMMEJTF-JTQLQIEISA-N 359.373 3.847 0 1 FHAF c1ccc(-c2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nn23)cc1 72179763 LUGGNKDLZYNKFK-UHFFFAOYSA-N 371.444 3.977 0 1 FHAF COc1ccc(C[C@H](C)[C@@H](C)[C@@H](O)c2ccc3c(c2)OCO3)cc1OC 14646552 NJZFDQRQCKAWQT-PXIJXODZSA-N 358.434 3.981 0 1 FHAF biogenic CC[C@@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1 82133391 DWBSDRIFYVZIAW-MRXNPFEDSA-N 352.482 3.908 0 1 FHAF COc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)ccc1OCCN(C)C 95558190 JUWUNGUBIMHNLC-YBEGLDIGSA-N 372.852 3.782 0 1 FHAF Cn1nc(CN2CCCC2)nc1-c1cccc(C2(C(F)(F)F)CC2)c1 2382217181 KZYNCQBDMRUDMZ-UHFFFAOYSA-N 350.388 3.672 0 1 FHAF O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H]1CCCO1)c1cccc2ccccc12 299819486 AVTQCLISYQTDGJ-YRPNKDGESA-N 364.489 3.744 0 1 FHAF Cc1nc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1C 587768898 DOFCYYNPKYCROZ-RBHXEPJQSA-N 364.262 3.927 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cccnc1Cl)O2 587380939 YNCWVATTYPNAGT-QJSCKGPTSA-N 357.841 3.562 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccn2C(F)F)N1 587713077 CAMGHKVSSPKGQR-JVXZTZIISA-N 360.177 3.803 0 1 FHAF FC(F)(F)COc1cc(-c2nc3cncc(Br)c3[nH]2)ccn1 587090988 DHINLBJRBWWTRP-UHFFFAOYSA-N 373.132 3.724 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1CCC[C@H]1C(=O)O)O2 587402893 ATWIAUPBBNGWCB-ZWWNWMABSA-N 365.429 3.939 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](C(=O)O)CC2)N1 587827437 OSBHHFLVMVQBSC-VGTOOOLASA-N 370.262 3.983 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1C[C@@H]1C(=O)O)CC2=O 587491379 UUKGYHUAUNSPPP-GSHUGGBRSA-N 366.413 3.926 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(O)ccc2N)N1 587746911 IWOLKMSTGZHZKH-HUTHGQBESA-N 365.246 3.674 0 1 FHAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](C(C)C)N(C)C)nc2c1 587198918 QQEAJNCKBVUDMY-AWEZNQCLSA-N 368.275 3.761 0 1 FHAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(F)c(Br)c2[nH]1 587238307 BVFOMNHDSHTQFR-UHFFFAOYSA-N 363.190 3.931 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc([C@@H](C)O)s2)N1 587856831 ZBFWVMWBGXBCLP-WFEFGEHDSA-N 371.275 3.722 0 1 FHAF COc1cc2c3c(c1)OC1(CC(Cc4ccc5c(c4)OCO5)C1)[C@@H](C2)C3=O 587451600 IMKSGRGMACMLHO-DRGVTQIHSA-N 364.397 3.563 0 1 FHAF C[C@H]1CCC[C@H](C)N1CCCNc1ccc2nnc(-c3ccccc3)n2n1 5051443 CNVCRXUSVMKSFR-IRXDYDNUSA-N 364.497 3.856 0 1 FHAF Cc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1-n1cccc1 13746292 CHSPNPXDCSGELC-AREMUKBSSA-N 362.458 3.674 0 1 FHAF O=C(O)COc1ccc(OCc2csc(-c3ccccc3)n2)cc1F 1857557918 DPZMSWIDJLQIRT-UHFFFAOYSA-N 359.378 3.992 0 1 FHAF O=C(c1cccc(Br)c1)N1CC[C@@H]2[C@@H](C[C@@H]3CCCCN32)C1 1857595074 NEKYTHMRWJBPAO-BHYGNILZSA-N 363.299 3.538 0 1 FHAF Cc1nc(Nc2cccc(I)c2)c2cc[nH]c2n1 27901408 WBEXOUGQQGQXBV-UHFFFAOYSA-N 350.163 3.615 0 1 FHAF CN(C)CCNC(=O)c1cc(Cl)cc2ccc(-c3ccccc3)nc12 1613464 NDXFIYMQRMASKB-UHFFFAOYSA-N 353.853 3.847 0 1 FHAF COC[C@]1(O)C[C@@]23CC[C@@H]4[C@H](C(=O)OC)CCC[C@@]4(C)[C@H]2CC[C@H]1C3 2356287799 PZXPTSNNDBIDFH-HNDIGTQLSA-N 350.499 3.560 0 1 FHAF Cc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1OC(F)F 103170345 QENJNBXIEDGVLD-UHFFFAOYSA-N 351.397 3.557 0 1 FHAF O=C(O)/C=C/c1cccc(NC(=O)Nc2cccc(/C=C/C(=O)O)c2)c1 103246197 ZQDDNNFESAFMNY-FIFLTTCUSA-N 352.346 3.526 0 1 FHAF Nc1ncc(-c2sccc2C2CCCC2)nc1N1CCC(C(=O)O)CC1 64453798 OQVDJZCMGJNDQU-UHFFFAOYSA-N 372.494 3.746 0 1 FHAF CC(C)Cc1ccc([C@H](C)c2nn(CN3CCN(C)CC3)c(=S)o2)cc1 64447796 VIFIVVVZTMTCPB-INIZCTEOSA-N 374.554 3.761 0 1 FHAF COc1ccc(/C=C/C(=O)N[C@@H](CCN(C)C)c2ccc(C)cc2)cc1 28654001 YBQWCMCDTYWMNO-PBAKHKOTSA-N 352.478 3.826 0 1 FHAF Cc1c(CC(=O)O)c2cc(Br)ccc2n1C(=O)c1ccco1 28118786 PTCITWSNTQQEJN-UHFFFAOYSA-N 362.179 3.621 0 1 FHAF O=C(c1ccc(Cl)cc1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356761624 RYLMBYVHZGILRN-MRXNPFEDSA-N 374.799 3.850 0 1 FHAF COC(=O)C[C@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)[C@@H](O)C[C@]12C 2356781369 BAZOEJHKVVCKQS-PCFMRYIPSA-N 350.499 3.914 0 1 FHAF CCCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 8472601 IUPORXFZZVYHHA-TZIWHRDSSA-N 373.456 3.554 0 1 FHAF biogenic CCCC[C@H](CC)C(=O)OC[C@@]1(CO)C/C(=C/C2CCCCC2)C(=O)O1 45498470 CLLFPTVUNVEEPH-MPWLMCFTSA-N 366.498 3.931 0 1 FHAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@@H]1c1ccccc1 49112996 SHPWXEFRRYKBDM-GOSISDBHSA-N 373.865 3.551 0 1 FHAF CC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 96318651 YVGUPZPDDUYAMP-UHFFFAOYSA-N 359.473 3.860 0 1 FHAF O=C1N(c2cnccc2C2CC2)[C@H]2C[C@H]2N1c1ccnc(C(F)(F)F)c1 143055849 HHSNJLVYXKJDIO-KGLIPLIRSA-N 360.339 3.960 0 1 FHAF N=c1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c[nH]1 587253803 QLVWAHIYYHZJMR-UHFFFAOYSA-N 371.160 3.743 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnn1CC1CC1 587579637 FDHKKAWXYOGFSO-GHTZIAJQSA-N 362.385 3.702 0 1 FHAF COc1cc(OC)c2[nH]c(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)nc2c1 587950376 KYBAVNLNNBLRBB-RKOMNEFPSA-N 370.449 3.734 0 1 FHAF CCOc1ccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587385489 CUPORLICHDWJJO-NEQMZLFVSA-N 366.461 3.912 0 1 FHAF O=C(NCCc1nc2ccc(Br)cc2[nH]1)OCc1ccccc1 587228196 IQADWYMKXWYMEX-UHFFFAOYSA-N 374.238 3.794 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c(=S)n2C)N1 587844144 MKCYYJMOMSKCRE-RTHLEPHNSA-N 370.291 3.618 0 1 FHAF Oc1nc(O)c2ccc(-c3ccc(Cl)cc3Br)nc2n1 587367101 SIACXQALSGCAPM-UHFFFAOYSA-N 352.575 3.519 0 1 FHAF CC[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355442 UUSXPOVXSVYTMA-AZUAARDMSA-N 358.365 3.904 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(O)cccc12 587608336 LDEFIEYNOZXUKX-UGKGYDQZSA-N 360.365 3.901 0 1 FHAF Fc1cccc(Cn2nnc(-c3nc4cc(F)c(F)cc4[nH]3)c2Cl)c1 587160538 CYDQTKWSOMUVHO-UHFFFAOYSA-N 363.730 3.940 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)nn2)N1 587701410 BLBLGXCGSQUMKI-GLEZIHRCSA-N 370.653 3.829 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1CCN(C)CC1 587863381 HYWLEFMFRXSCGP-UHFFFAOYSA-N 367.371 3.560 0 1 FHAF COc1ccc(/C=C/Cc2nc3c(Br)ccnc3[nH]2)c(OC)c1 587929352 NWPSQYXOGLITIH-ONEGZZNKSA-N 374.238 3.994 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccccn23)N1 587773833 KDFXJMGRVGEJMZ-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF CCOC(=O)[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800470 XOWHMGQREAZKJR-GTNSWQLSSA-N 372.278 3.927 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C(=O)O)[C@H](C)C2)N1 587827423 OQGWIJLZTULTPY-LSGKAKCFSA-N 370.262 3.839 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](CO)C2)[C@H]1c1ccc(F)cc1 587352743 MBYXYCDBLMMDPS-XFPJRNFQSA-N 356.393 3.812 0 1 FHAF CC(C)N1CCC([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587580751 DIXXYETXQJJKCT-KNQAVFIVSA-N 367.445 3.843 0 1 FHAF CCOCCOCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587778769 PGFYOLHDKUFEHL-UHFFFAOYSA-N 367.165 3.897 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(C4CC4)nc4sccn14)[C@@H](C2)C3=O 587453984 UALWDGDPQFJRNF-SGTLLEGYSA-N 352.415 3.771 0 1 FHAF N=c1[nH]ccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587001685 PDKPXWMXFKGMMB-UHFFFAOYSA-N 369.222 3.865 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2nccn2C)(C2CC2)N1 587756559 SCKBJEPSLAUUCD-BTDLBPIBSA-N 364.262 3.510 0 1 FHAF Nc1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c(N)c1 962646913 VKJCLDDAGNZLED-YKSBVNFPSA-N 370.500 3.687 0 1 FHAF O=C(O)c1cccc2c1CCN[C@@]2(CNC1CCCCC1)c1ccccc1 963129924 GZNJVKHJUUJCEG-QHCPKHFHSA-N 364.489 3.696 0 1 FHAF Cc1nc2c3c(c(C(=O)NC4CC4)cn2c1C)CC[C@@H](c1ccccc1)O3 13983734 SFNDFWXAFJROAQ-IBGZPJMESA-N 361.445 3.910 0 1 FHAF Cc1n[nH]c2ccc(-c3cncc(NC[C@@H](N)Cc4ccccc4)c3)cc12 14957892 AIGXEZVGFUERRR-IBGZPJMESA-N 357.461 3.915 0 1 FHAF COc1ncccc1-c1cccc2c(N)c3c(=O)n(C4CCC4)cc-3[nH]c12 169729125 YSNANPPUFKNUJM-UHFFFAOYSA-N 360.417 3.812 0 1 FHAF COc1ccc(CN2C(=O)CCC[C@@H]2c2c(OC)cccc2OC)cc1 167357894 JVROGSREYCFSNK-QGZVFWFLSA-N 355.434 3.966 0 1 FHAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CCOc2ncccc21 205619160 TXEBNCWNZYHMND-LLVKDONJSA-N 370.758 3.936 0 1 FHAF COc1ccc2c(c1)CCc1[nH]nc(-c3cc(OC)c(OC)c(OC)c3)c1-2 1857587074 HGVPEUJPOPWOGE-UHFFFAOYSA-N 366.417 3.877 0 1 FHAF CCC(=O)N[C@@H]1CCCc2c1cncc2N1Cc2cc(Cl)ccc2C1=O 224481937 OUSFXXZFDQOXDO-QGZVFWFLSA-N 369.852 3.799 0 1 FHAF CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(OC(=O)c2ccccc2O)c1 588684 OLXCPJRIWXIFTH-VGSWGCGISA-N 369.461 3.551 0 1 FHAF in-man CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N(C)C 4081343 DSADLHQOPNXWKP-MJGOQNOKSA-N 372.852 3.919 0 1 FHAF Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3ccccc23)n1 13560499 BJYKRVMKNGJKKZ-UHFFFAOYSA-N 372.388 3.523 0 1 FHAF NC(=O)N(O)Cc1cccc(OCc2csc(-c3ccccc3)n2)c1 13604037 PYVUCUQZHAMCQT-UHFFFAOYSA-N 355.419 3.659 0 1 FHAF 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FHAF COCOc1ccc(-c2cc(-c3cccc(NC(C)=O)c3)cnc2N)cc1 1857618152 LQFNZSHPTZJLAV-UHFFFAOYSA-N 363.417 3.939 0 1 FHAF COC(=O)C1=CCC[C@H]([C@@H]2C[C@H](c3ccoc3)OC2=O)[C@]1(C)CCC(C)=O 2356715832 SUFYVCNRYHWBMC-LZKITUNOSA-N 374.433 3.769 0 1 FHAF COc1ccc(-c2cc3c(o2)CCC[C@H]3OCCN2CCOCC2)cc1 95568037 VHMDQQNITPNKKF-LJQANCHMSA-N 357.450 3.681 0 3 FHAF CC1CCC(NC(=O)[C@@]2(C)CCC(=O)N2Cc2ccccc2Cl)CC1 2933213 JVPVLLGIEFIDAN-QJXPYNDKSA-N 362.901 3.916 0 1 FHAF CN1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)s2)CC1 3832156 QBUIKICDMNLGJG-UHFFFAOYSA-N 369.465 3.924 0 1 FHAF CC(C)=CCC1(CC=C(C)C)C[C@](CO)(COC(=O)C(C)(C)C)OC1=O 13684044 NHPPQDVFIWYUPY-NRFANRHFSA-N 366.498 3.953 0 1 FHAF COc1ccc2c(ccn2CCCCCCOC(=O)c2ccc[n+](C)c2)c1 27082304 AEXKSPQEJVEBJC-UHFFFAOYSA-N 367.469 3.892 0 1 FHAF Cc1cc2oc(=O)c3c(c2cc1C)CCN(C[C@@H](C)N1CCCCC1)C3 27733020 HRSJOLUDPKCDLB-QGZVFWFLSA-N 354.494 3.642 0 1 FHAF CC(C)CCC(=O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27883246 WXVJDJXNKUDABX-WSTLGDPDSA-N 354.487 3.980 0 1 FHAF 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0 1 FHAF C[C@]1(CCOS(=O)(=O)O)CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CCC[C@@]3(C)O)C1 2356719957 MGAAHPXIGWJLPX-MTHXSQLBSA-N 372.527 3.890 0 1 FHAF CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2Br)=N1 1861617 HVVHHHIVAXYPRB-UHFFFAOYSA-N 351.244 3.560 0 1 FHAF COc1ccccc1C(=O)[C@@H]1C(=O)N[C@@]2(C)C[C@@H]1c1cc(Cl)ccc1O2 4598677 VEUYTYUFIYBKAF-WIBUTAKZSA-N 371.820 3.560 0 1 FHAF C/N=c1\c(NS(=O)(=O)c2ccc(C(C)C)cc2)c(O)oc2ccccc12 103673428 HZLZGCQPCJDTQO-JZJYNLBNSA-N 372.446 3.593 0 1 FHAF OCCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3cccc(Cl)c32)CC1 22937832 HKWOIXRWXXYROZ-UYAOXDASSA-N 374.887 3.666 0 1 FHAF N[C@H]1CN(c2ccc3ccccc3n2)CC[C@@H]1c1cc(F)c(F)cc1F 28707331 XUDDXPRZEPANHN-ACJLOTCBSA-N 357.379 3.973 0 1 FHAF COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CC2)C3)cc1 68246366 FZMLHUYYSNMZKW-UHFFFAOYSA-N 371.440 3.669 0 1 FHAF COc1ccc(CNC[C@@H](O)Cn2c3c(c4ccccc42)CCCC3)cc1 73157248 WKDDFROSQNVBSP-GOSISDBHSA-N 364.489 3.679 0 1 FHAF CCCn1c(Oc2ccc(C)nc2)nc2nc(C3CCCC3)[nH]c2c1=O 198734492 OHTCVHZAHHDFRB-UHFFFAOYSA-N 353.426 3.683 0 1 FHAF CNC(=O)c1cccc(-c2cccn3nc(Nc4ccccc4OC)nc23)c1 148197003 YMOOLOQYGODNRT-UHFFFAOYSA-N 373.416 3.508 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 253654768 FHWOSRUUSHMKKA-MPTZMVSHSA-N 356.466 3.595 0 1 FHAF CN(C)c1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1 2382220005 KGZIGXBASPDPSX-UHFFFAOYSA-N 355.405 3.629 0 1 FHAF COc1cc(CCCC[C@H](O)CCc2ccc(O)c(OC)c2)ccc1O 299837426 QULDKTVXEABZJR-KRWDZBQOSA-N 360.450 3.822 0 1 FHAF Cc1cc(F)c2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 587037939 NWNHHAMBMZRCDA-SNVBAGLBSA-N 371.441 3.758 0 1 FHAF Cc1c(Br)cnc2[nH]c(Cc3c(F)cncc3Cl)nc12 587175374 BZJWFKMMDOYTEV-UHFFFAOYSA-N 355.598 3.807 0 1 FHAF Oc1cc(-c2ccc(F)cc2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587946276 TYLPOLCCOKXJHW-UHFFFAOYSA-N 354.316 3.619 0 1 FHAF Cn1cc(C(=O)Oc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cn1 587210676 DMJJDJLQOCKFTC-UHFFFAOYSA-N 355.397 3.953 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCN(C)C)CC2=O 587468752 JRAURJJOCUPRBZ-NRFANRHFSA-N 369.461 3.992 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCCC[C@@H]2O 587613296 XZIZWQWDOMPCOI-WFXMLNOXSA-N 354.402 3.808 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC(=S)N(C)C)c1)O2 587408523 CJHTYBKNQFHAOD-KRWDZBQOSA-N 356.447 3.509 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4F)no1)[C@@H](C2)C3=O 587428200 XUNLDTPKHPHAFH-RNODOKPDSA-N 351.333 3.978 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N(C)C)n2)N1 587751941 CBEMGGKDHLERCK-DYZYQPBXSA-N 364.262 3.673 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1cc(F)cc(F)c1)O2 587385969 RSMYTFWKCXQSNV-IBGZPJMESA-N 361.344 3.581 0 1 FHAF CCOC(=O)C[C@@]1(c2cccc(OC)c2)NCCc2cccc(Cl)c21 963391098 PXERRWYPGBMSGF-FQEVSTJZSA-N 359.853 3.691 0 1 FHAF CCOC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)NCCc2c(C)ccnc21 963073539 VJRNIYLVFFKFEV-HRGVQVDPSA-N 368.521 3.901 0 1 FHAF C#CCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 143413646 SFYNHGPEMQEONE-LBPRGKRZSA-N 362.273 3.529 0 1 FHAF CCN(C)C(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681840 FINYZPNAEUFDRR-QKZKXAEISA-N 369.505 3.912 0 1 FHAF CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1Cl 14965082 BVUIAHCNMNDNRH-UHFFFAOYSA-N 357.790 3.541 0 1 FHAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1/C=C/c1ccccc1 169690439 UJPAOKAXEKZRNI-UCMOUWFMSA-N 355.434 3.807 0 1 FHAF CC(C)(C)c1ccc(OCCCCN2CCN(c3ncccn3)CC2)cc1 1857633216 KLBMDHFEVYNFQB-UHFFFAOYSA-N 368.525 3.755 0 1 FHAF Cc1cccc(Nc2sc(C(=O)c3ccccc3)c(N)c2C(N)=O)c1 2962465 XOSKXXHRZSZXHK-UHFFFAOYSA-N 351.431 3.712 0 1 FHAF CNc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1 14945646 IZPPYCMVKYUPEG-UHFFFAOYSA-N 354.360 3.958 0 1 FHAF CCOC(=S)SCCCCC/C=C(\NC(=O)[C@@H]1CC1(C)C)C(=O)O 26027738 XCEGTJICXSRMRQ-VWLVURMCSA-N 373.540 3.732 0 1 FHAF Cc1ccc(Cc2cnc(SCCCc3ccccc3)[nH]c2=O)cn1 27316132 IFBATBRIHQSNLM-UHFFFAOYSA-N 351.475 3.789 0 1 FHAF Nc1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cn1 29206457 OITXPRQFNDGVOT-UHFFFAOYSA-N 367.416 3.749 0 1 FHAF CCn1c2ccncc2c2cc(NS(=O)(=O)c3cccc(N)c3)ccc21 64559322 CJMJMGZJEWPLRJ-UHFFFAOYSA-N 366.446 3.592 0 1 FHAF COc1cc(-c2cn(Cc3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1 72113803 CWYABCPEOPJNCY-UHFFFAOYSA-N 363.396 3.635 0 1 FHAF CCOC(=O)c1nn(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc12 72177744 ZYMHMPNZKFVZDM-UHFFFAOYSA-N 362.307 3.920 0 1 FHAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(C3CCC3)c(=O)c12 88345992 OVBKKAQIDXMNIF-ZDUSSCGKSA-N 374.448 3.874 0 1 FHAF O=C(NC1CC1)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 142181948 OXGMVOXUNNXRFM-UHFFFAOYSA-N 369.808 3.861 0 1 FHAF c1ccc([C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cc1 199420069 MDBRXLWSMNKQIT-IBGZPJMESA-N 374.488 3.850 0 1 FHAF CCS(=O)(=O)N[C@@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205713428 IDQNXHUBIRPFEM-MRXNPFEDSA-N 370.396 3.694 0 1 FHAF Cc1cc(C)c2[nH]c([C@H](CC(=O)O)NC(=O)OCc3ccccc3)nc2c1 587203397 PAKNWWXGDVXCTL-INIZCTEOSA-N 367.405 3.622 0 1 FHAF O=C(O)[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350439 HTSCFOXRYNUKFZ-GIJMVEMTSA-N 356.349 3.514 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(OC[C@@H]3CO3)cc1)O2 587412327 NDQNHPRQZZAHRF-VGOFRKELSA-N 367.445 3.712 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(C=O)c1)(C1CCOCC1)O2 587413554 RVWHYHGMKDDDJR-QFIPXVFZSA-N 365.429 3.677 0 1 FHAF CCOc1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)nn1CC(C)C 587433202 WGFVQRMRRXNARV-QRWLVFNGSA-N 370.449 3.744 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[C@@H](C2)C3=O 587436031 MHWRRQVJLHGARG-RKFVTTHHSA-N 373.449 3.601 0 1 FHAF Cc1cc(C)c([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587531343 ZCULCSDPQXYWFM-HSZRJFAPSA-N 366.457 3.662 0 1 FHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587599825 HWDNXCYTGQSRLI-GHTZIAJQSA-N 364.353 3.809 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(C)(C)C)nn2)N1 587762433 YSTDGNLWPIYCQC-PSLIRLAXSA-N 367.266 3.558 0 1 FHAF CCn1nc(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587762928 HEZOYLXPVGIJLC-ABKXIKBNSA-N 352.251 3.737 0 1 FHAF Cc1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587776513 XPQVIRJXYMUPQK-QPFGOUBPSA-N 364.262 3.927 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587800228 WDDHIALVQDQIMY-QAGHZCBJSA-N 370.262 3.681 0 1 FHAF O=C([C@@H]1Cc2ccccc2[C@@](CC(F)(F)F)(C2CC2)N1)C(F)(F)F 962730149 LYDSHFUDYPCNAR-GXTWGEPZSA-N 351.290 3.890 0 1 FHAF COc1cccc2c([C@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)cccc12 963025341 NYIGHUWHYQXQDT-QKFKETGDSA-N 358.441 3.991 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ccnc(C(F)F)c1 963029392 CMDOKZZLGUUUGF-FQEVSTJZSA-N 355.388 3.985 0 1 FHAF CCOC(=O)[C@]1([C@@H]2CCC(C)(C)CC2=O)NCCc2cccc(Cl)c21 963391043 PAJCLMPNJGXNBO-JLTOFOAXSA-N 363.885 3.640 0 1 FHAF CN(C)c1nccc(-c2cccc(NC(=O)Nc3ccc(F)cc3)c2)n1 1772630141 GUOXXUPPUCDXDB-UHFFFAOYSA-N 351.385 3.993 0 1 FHAF Cc1ccc2c(=O)c3c(oc2c1)N1C[C@@H]2CCCN4CCC[C@@H]([C@H]24)[C@H]1CC3 1857606691 OSBJNTATVHKDBL-HXQKEGBBSA-N 364.489 3.727 0 1 FHAF CC(C)C[C@@H]1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21 1857655627 XNYVULHMPZSVEK-AWEZNQCLSA-N 372.469 3.762 0 1 FHAF O[C@H](CN1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 1857763130 VHQISNDFDYQFIV-GOSISDBHSA-N 351.277 3.849 0 1 FHAF CC1(C)O[C@@]2([C@H]3C[C@@H](Cc4ccc(O)cc4)C[C@@H](CO)C3)CC[C@H]1[C@H](N)C2 2356482342 KXYOIBBIVWUHEW-WAXAXRGLSA-N 373.537 3.635 0 1 FHAF CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CCCCC/C=C/Cc2ccccc21 61959207 WLMKUHSUSVRAIJ-AKVVTYHKSA-N 372.461 3.633 0 3 FHAF CN(C)c1ccc(-c2nc(NCCc3cnc[nH]3)c3ccccc3n2)cc1 4239405 HGVHGWKHXVCCOK-UHFFFAOYSA-N 358.449 3.741 0 1 FHAF COCCN1CCC[C@@]2(CCN(Cc3[nH]c4ccc(C)cc4c3C)C2)C1 11818764 CEHWANYPFMSEEF-JOCHJYFZSA-N 355.526 3.719 0 1 FHAF COc1ccc([C@H]2CC(=O)c3c(O)cc4c(c3O2)C=CC(C)(C)O4)cc1O 13397627 IAYOSEMOKOQXBK-QGZVFWFLSA-N 368.385 3.997 0 1 FHAF biogenic NCc1nc2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc2[nH]1 13445562 UQFUGRDEFSIYQL-UHFFFAOYSA-N 372.428 3.853 0 1 FHAF COC(=O)c1ccc(NC(=O)c2cnc3c(n2)C(C)(C)CCC3(C)C)cc1 26827090 AIFOGTUOJLUSQU-UHFFFAOYSA-N 367.449 3.865 0 1 FHAF CC/C=C\C/C=C\C[C@H](O)/C=C/[C@@H](O)[C@@H]1C[C@H]1[C@H]1CC=CCCC(=O)O1 39160797 FGQRGNDJJATRPA-ZNYBUWBMSA-N 360.494 3.855 0 1 FHAF C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(C(=O)O)cc2)S1)c1ccc(F)cc1 40866916 BXUAKBHVBBSTCT-JEOXALJRSA-N 372.421 3.719 0 1 FHAF CC(C)(O)[C@H](O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 40954789 ILAKDWKJRHBOAD-QGZVFWFLSA-N 358.825 3.878 0 1 FHAF O=C(COc1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 66167376 SXDSMOZYVWEPLS-UHFFFAOYSA-N 367.380 3.772 0 1 FHAF Cc1nc(-c2ccccc2)n(C)c1CC(=O)NCc1ccc(F)c(F)c1F 72111509 MNPFLFYAGYCCHG-UHFFFAOYSA-N 373.378 3.672 0 1 FHAF O=C(O)Oc1ccc(-c2csc3c2-n2cccc2C3=O)cc1OC(=O)O 87723064 ILJFSGHQFVXNKB-UHFFFAOYSA-N 371.326 3.864 0 1 FHAF Cc1nn(C(=O)COc2ccccc2)c2c1nnc1cc(Cl)c(F)cc12 95559860 AGHKSLGKWNMBKW-UHFFFAOYSA-N 370.771 3.800 0 1 FHAF CCc1cccc(OCCSc2nc3ccccc3n2CC(=O)O)c1 95594845 ZONBXGDTMWMGDZ-UHFFFAOYSA-N 356.447 3.854 0 1 FHAF CC1=C(Sc2ccccc2)[C@H](COCc2ccccc2)C(=O)NC1=O 102808778 IBGMUXKZVYLFNC-KRWDZBQOSA-N 353.443 3.542 0 1 FHAF COP(=O)(OC)[C@H](C)OC(=O)COc1cc(Cl)ccc1Cl 103166732 AJFVWUUOJJGGBB-MRVPVSSYSA-N 357.126 3.747 0 1 FHAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cccc(OC(C)C)c3)C2)cc1 142180767 JCODAUWETFJFNA-INIZCTEOSA-N 368.477 3.939 0 1 FHAF COC[C@@H](OC(C)=O)[C@@H]1OCc2ccccc2[C@@H]1/C=C/c1ccccc1 169354447 SSAJXUFJYJHGDQ-GGMIDOBPSA-N 352.430 3.961 0 1 FHAF C[C@H](Oc1ccccc1)c1cc2n(n1)CCN(c1ccc(F)cc1)C2=O 205367401 ZILCFACNWIDELD-AWEZNQCLSA-N 351.381 3.823 0 1 FHAF C[C@H](Sc1ncccn1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586961434 JBIDXRRHHKUJOT-YFKPBYRVSA-N 360.752 3.620 0 1 FHAF CCOc1ccccc1[C@](N)(c1nc2ccc(F)cc2[nH]1)C(F)(F)F 587091249 COWQVMKMPNAREI-INIZCTEOSA-N 353.319 3.865 0 1 FHAF Cc1ccc2c3c(c4c(nc13)CCC1(C4)OCCO1)-c1ccccc1C2=O 587103011 UXOSCAYPYCLKFP-UHFFFAOYSA-N 357.409 3.986 0 1 FHAF N[C@@H](N=O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587133208 MDIAISRPHKTEQB-AWEZNQCLSA-N 367.167 3.964 0 1 FHAF O=C(O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587168895 QZHFMNXEVDQHLM-UHFFFAOYSA-N 363.352 3.525 0 1 FHAF Fc1ncc(Br)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587177868 DCILUAHYNCXQLD-UHFFFAOYSA-N 361.096 3.940 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C(F)(F)F)cc3[nH]1)C2 587246525 GXKXQBFQVJOTIK-SFHVURJKSA-N 361.367 3.933 0 1 FHAF Cc1cc(F)c2[nH]c([C@@H](N)CCCNC(=O)OCc3ccccc3)nc2c1 587259406 GMOIOWRQRMOPHS-INIZCTEOSA-N 370.428 3.717 0 1 FHAF C[C@]1([C@H]2CCCNC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346138 LGIPNAHYOGZODA-ONTRVFCTSA-N 355.409 3.649 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(C(=O)O)[nH]c4ccc(C)cc14)[C@@H](C2)C3=O 587436841 BHJGOIMWFWHBLW-RNODOKPDSA-N 363.369 3.672 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(OC)cccc31)CC2=O 587493170 SMGPHKLDWPNZAT-OAQYLSRUSA-N 354.402 3.997 0 1 FHAF CC(C)n1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587757160 GALYBMMHGVHIIW-HWPZZCPQSA-N 352.251 3.989 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CC[C@H]2N3C)N1 587772837 XISFMIQXTDPRPB-VBZUEUGKSA-N 353.279 3.574 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn3ccnc23)N1 587774330 MMTJSTYXBKLAGN-QFYYESIMSA-N 360.230 3.860 0 1 FHAF CCOC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799663 UCLQZBBXPYSNSF-BTDLBPIBSA-N 370.262 3.681 0 1 FHAF CCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 653724800 WWLFCQLHCAEMAP-SFHVURJKSA-N 369.461 3.854 0 1 FHAF COc1ccc2c(c1OC)[C@@H](c1c(OC)ccc(F)c1F)N(C)[C@H](C)C2 962565549 HTHQNRMVTREJQO-WYRIXSBYSA-N 363.404 3.956 0 1 FHAF Cc1ccnc2c1CCN[C@@H]2c1c(F)cc(Br)c(F)c1F 963067276 IUZDUVLQVITKOT-OAHLLOKOSA-N 357.173 3.805 0 1 FHAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@@]42C[C@@H]3CCO[C@@H]32)cc1 963819954 ZKGPZSBCZBAOFP-GMWOSMDTSA-N 360.457 3.897 0 1 FHAF FC(F)(F)Oc1cccc(CNCCN[C@@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@H]42)c1 1857608887 XUNMCAHVNYTWCU-MISMHTLLSA-N 354.416 3.699 0 1 FHAF CC[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3cn[nH]c3)nc21 1857613324 KSSSAXASWYMYSX-SFHVURJKSA-N 373.395 3.903 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@@H](C[C@@H]1CCN1Cc1ccccc1)C2 1857628155 ADXPNWDIQYFMRM-MSOLQXFVSA-N 351.446 3.723 0 1 FHAF COc1ccc(C(=O)CCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1 1857643793 NYFVZSHCDXRFCO-UHFFFAOYSA-N 369.461 3.652 0 1 FHAF COC(=O)[C@@]12CCC[C@@]3([C@H](OC)OC1)[C@@H]1Cc4occc4[C@H](C)[C@H]1CC[C@@H]23 2356689253 CFHDLAKXWKVAMW-WDCAGGMASA-N 374.477 3.914 0 1 FHAF CC(C)n1cnnc1-c1cccc(NC(=O)N=c2cc[nH]c3ccccc23)n1 2382224610 DIDSSIBTYFQPFB-UHFFFAOYSA-N 373.420 3.535 0 1 FHAF CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)c1C 12712386 HEZQIMSADVTDEY-QGZVFWFLSA-N 357.429 3.690 0 3 FHAF CC[C@H](CO)Oc1cc(NCc2cccnc2)c2ncn(C(C)C)c2c1 61948935 FYQFODFIAJONEY-MRXNPFEDSA-N 354.454 3.774 0 3 FHAF CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 13782818 ZPASGLGRGIEHTG-UHFFFAOYSA-N 365.473 3.960 0 1 FHAF C=CC(=O)Nc1nc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC 13806968 DTKYOILJQJQIHX-UHFFFAOYSA-N 373.775 3.694 0 1 FHAF CCC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 13834584 IZRCBCKFMRACRK-INIZCTEOSA-N 368.485 3.592 0 1 FHAF CC(C)(O)c1ccc(-c2sccc2-c2ccc(S(N)(=O)=O)cc2)cc1 26188357 PXGHFWATHSXRPB-UHFFFAOYSA-N 373.499 3.957 0 1 FHAF CCNC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801400 BQWMLHMOZSVPKK-KPICWTFHSA-N 360.542 3.602 0 1 FHAF CC(C)Oc1ncc([C@](O)(c2cccnc2)c2ccc(Cl)cc2F)cn1 72186480 JKWOWWLZRJZDLN-LJQANCHMSA-N 373.815 3.736 0 1 FHAF COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3c(C)nn(C)c3C)n12 73196037 LUIFKRLOZBLHEV-UHFFFAOYSA-N 353.401 3.664 0 1 FHAF C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCC1CCCCC1 82070441 STEPHWQFWFPSMH-AWEZNQCLSA-N 371.506 3.625 0 1 FHAF O=C(N[C@H]1CCC[C@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1cccnc1 95591151 UHCAVFLNPSPQFM-FXAWDEMLSA-N 369.852 3.623 0 1 FHAF COC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1[C@@]21N=C(N)N(C)O1 142105895 GAEOZAGIDRVKPM-UDJZJCJKSA-N 369.509 3.505 0 1 FHAF CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1cc2ccccc2cn1 169730668 IWHGILGDGFRDBS-MOPGFXCFSA-N 362.385 3.621 0 1 FHAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)C1CCC(CO)CC1 201096940 LEKNEZOKYBDTBI-QFHNSRLUSA-N 371.521 3.632 0 1 FHAF O=C(Nc1cc(-c2ccc(Br)cc2)[nH]n1)c1cccnc1F 299837928 SUNBHOJUJSNSSB-UHFFFAOYSA-N 361.174 3.626 0 1 FHAF Fc1cnc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc12 587034773 HNTHFSWBQGLXHS-SECBINFHSA-N 368.231 3.778 0 1 FHAF O=C(O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587126916 IPOUPHRYBIYWMB-UHFFFAOYSA-N 362.267 3.703 0 1 FHAF COc1cc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2cc1OC 587148030 YFHXVOBEAVHKER-UHFFFAOYSA-N 370.359 3.926 0 1 FHAF Nc1ccc(-c2ccc3nc([C@@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)cc1N 587158880 YPLDLQRIDMJLBO-IVZQSRNASA-N 373.435 3.875 0 1 FHAF O=C(/C=C/c1nc2cc3c(cc2[nH]1)OCCCO3)Nc1ccc(F)cc1 587166939 KMMGJLQJLDBJQU-VOTSOKGWSA-N 353.353 3.515 0 1 FHAF Cc1c(-c2ccc(Cl)c(S(N)(=O)=O)c2)nc2cccc3c2c1CC3 587216668 IXBJDFQREMDVFK-UHFFFAOYSA-N 358.850 3.610 0 1 FHAF Oc1nc(O)c2ccc(-c3ccc(Br)cc3Cl)nc2n1 587366144 KKQZNJWTHAYRIY-UHFFFAOYSA-N 352.575 3.519 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1CNC(=O)OC(C)(C)C)O2 587386445 JEDBLQBTTSVWQT-XCLFUZPHSA-N 360.454 3.606 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1COCc1ccccc1 587591031 FIJUHKHQJJKFQS-WOJBJXKFSA-N 362.381 3.939 0 1 FHAF CC(=O)C12CC([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)(C1)C2 587603411 OJJXGGKEFXXKPJ-UGCZDOJFSA-N 364.397 3.872 0 1 FHAF CC[C@H](C)c1ccc2[nH]c(-c3cn(C)nc3C)c(C(=O)C(=O)OC)c2c1 587642577 MTELNJBREOKYCU-NSHDSACASA-N 353.422 3.746 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)c(N)c2)N1 587744488 BTKMNMDVVNMMLI-XYZCENFISA-N 364.262 3.550 0 1 FHAF Cc1ncn(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587755383 PEVPUYFJOUWNQA-DYZYQPBXSA-N 366.278 3.851 0 1 FHAF CC(C)CCOC(=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795127 QSGPPZQSDCEOIM-GTNSWQLSSA-N 372.278 3.927 0 1 FHAF O=C(CN=c1[nH]c2ccccc2s1)n1nc2cc1Oc1ccc(F)cc1-2 587875771 IQTOGQHQOUJYJU-UHFFFAOYSA-N 366.377 3.579 0 1 FHAF Cc1ccc(CN2CC[C@@H](N3CCC[C@H](c4ccc(O)cc4)C3)C2=O)cc1 1772609031 IOZDYULPBYTTHU-RBBKRZOGSA-N 364.489 3.681 0 1 FHAF Cc1cc(C(=O)N[C@@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)c(C)o1 2356299685 LZYBVAAOQHNXBV-JTQLQIEISA-N 372.352 3.880 0 1 FHAF O=C(Oc1ccccc1)N1CCC2(CCCN(c3ccccn3)C2)CC1 3955976 ALVMYTXDIDVNBL-UHFFFAOYSA-N 351.450 3.963 0 1 FHAF CC(C)CCCCCCCCCCC[C@@H](O)[C@H](N)CS(=O)(=O)O 5452914 XMTQSVIYISYLNK-IAGOWNOFSA-N 351.553 3.510 0 1 FHAF in-vitro CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3cc(C)nc(C)c3)c(F)c21 13832970 ZQZJGSJCJYPTBV-UHFFFAOYSA-N 358.344 3.677 0 1 FHAF CC[C@]12CCCN(CCc3c(n(C)c4ccccc34)[C@@H](C(=O)OC)C1)C2 14829292 AULRJVXQWYCCSG-AVRDEDQJSA-N 354.494 3.873 0 1 FHAF O=c1c2cc(Cl)ccc2nnn1CCCCCCCCn1ccnc1 26381604 DBKAGJNRRUCUNV-UHFFFAOYSA-N 359.861 3.682 0 1 FHAF COc1cc2c(cc1OC)C(C(=O)c1ccc(Br)cc1)=NCC2 26668010 AVXGCSUMKPMKKV-UHFFFAOYSA-N 374.234 3.694 0 1 FHAF CSc1cccc(C(=O)NC[C@H]2CCCN2CCc2ccccc2)c1 27556839 LABFIALYPYPGFW-LJQANCHMSA-N 354.519 3.845 0 1 FHAF CO[C@]1(C)C[C@](C)(c2ccccc2)c2c(c3cc(O)ccc3oc2=O)O1 27557342 JPVZBOLLFZWTJH-RTWAWAEBSA-N 352.386 3.950 0 1 FHAF C[C@H](NC(=O)c1nnc(-c2ccccc2N)o1)C12CC3CC(CC(C3)C1)C2 43061091 NUFHQWAYHZSWDV-PXRHCINRSA-N 366.465 3.654 0 1 FHAF COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 45298423 AIFCUVNKIXTICB-VNKQRKCFSA-N 359.510 3.709 0 1 FHAF COC(=O)/C=C/c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 45315029 BZMKPFUJLLMWKQ-GYIJXDSHSA-N 373.880 3.780 0 1 FHAF CCN(C)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccccc1 82133808 MXHWBCPPUABILL-UHFFFAOYSA-N 350.422 3.749 0 1 FHAF CC(C)CCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O 87530440 NWNOHXIGPZLKDY-DLBZAZTESA-N 367.467 3.731 0 1 FHAF in-vitro Cn1cc(-c2ccc(CN3C(=O)C(F)(F)c4ccccc43)c(F)c2)cn1 95595733 SKYRWIPKSJNUQE-UHFFFAOYSA-N 357.335 3.865 0 1 FHAF CN(c1cccc(O)c1)S(=O)(=O)c1ccc(-c2cccc(O)c2)cc1 96285193 RQRVWLDFSXDEPX-UHFFFAOYSA-N 355.415 3.590 0 1 FHAF CC(C)C[C@H]1C(=O)N[C@H](CC(C)C)CN1C(=O)[C@@H]1C[C@H]1c1ccccc1 103267048 QWAYUNUQNGRNBW-WCIQWLHISA-N 356.510 3.578 0 1 FHAF Cc1ccc([C@H](O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 116026015 SWCQWVKIKTXEAM-FQEVSTJZSA-N 357.413 3.719 0 1 FHAF COc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144858001 IFUDYENTBCTORB-SFHVURJKSA-N 360.335 3.874 0 1 FHAF COc1ccc2c(c1)CCC1=C2[C@@H]2C[C@]3(CC[C@@H]2O)[C@@H](OC(C)=O)CC[C@@H]13 169324930 XHUISAWHXNRHIF-KPUUQYQLSA-N 368.473 3.898 0 1 FHAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1nc2ccccc2o1 202121352 WXHUDJCHSWBJBK-UHFFFAOYSA-N 362.389 3.981 0 1 FHAF CNc1nc(Nc2cc(F)c(C3COC3)cc2OC)ncc1C(F)(F)F 205903443 DLNHJRGDYSWBNT-UHFFFAOYSA-N 372.322 3.542 0 1 FHAF COc1ccc(C=O)c2cc(-c3nc4cc(F)c(C(=O)O)cc4[nH]3)oc12 586902963 DHQMWQLBZYIOGF-UHFFFAOYSA-N 354.293 3.635 0 1 FHAF Cc1ccc2c(ccc3nc(CSc4ncccc4C(=O)O)[nH]c32)n1 586968994 RUTPSOQMRRUKGS-UHFFFAOYSA-N 350.403 3.805 0 1 FHAF Cn1cc(-c2ncc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)s2)cn1 587022244 WVHAKPVUKRXJSQ-UHFFFAOYSA-N 350.329 3.501 0 1 FHAF Cc1ncsc1-c1c[nH]cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587027330 BQEFAFKCNJMSKE-UHFFFAOYSA-N 350.329 3.750 0 1 FHAF CCOC(=O)[C@@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096086 GGKYXSJHKADUPL-IBGZPJMESA-N 373.408 3.990 0 1 FHAF CCOC(=O)CNc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 587227770 WPDUWYNRFCCQAP-UHFFFAOYSA-N 364.327 3.619 0 1 FHAF Cc1cc(F)cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587276166 LXVAEPCKGGTPQG-UHFFFAOYSA-N 364.170 3.761 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(COCC(F)(F)F)o1)[C@@H](C2)C3=O 587422326 TVEUWTCYLPACRV-SJCJKPOMSA-N 368.307 3.856 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(O)cc1OC(F)(F)F)[C@@H](C2)C3=O 587422671 PSBNOVYLNHZXMY-YVEFUNNKSA-N 366.291 3.788 0 1 FHAF CC[C@]1(c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587758119 POZRUBQGOVKJBE-QGHHPUGFSA-N 366.278 3.818 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CC[C@H]2N3C)N1 587772835 XISFMIQXTDPRPB-HOLCONJYSA-N 353.279 3.574 0 1 FHAF CCOC(=O)/C=C(\C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587798964 QLPJHPAQUBSVFU-OBAWYETJSA-N 356.235 3.673 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)NC1CCCCC1 587867916 DYBGVNUEEBWLHE-UHFFFAOYSA-N 368.359 3.863 0 1 FHAF C[C@@H](Oc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)O 653903409 VIEUZDVSCRVEST-GFCCVEGCSA-N 362.813 3.556 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=COc3cc(C(=O)O)ccc32)N1 962946362 LVJVACPGKUKTMK-FPTDNZKUSA-N 360.413 3.940 0 1 FHAF Cc1ccc([C@]2(c3ccccc3)NCCc3nc4ccccn4c32)c(N)c1 962983743 MKKDZDXRWICOBV-QHCPKHFHSA-N 354.457 3.663 0 1 FHAF Cn1ncc(Cl)c1[C@@]1(C)c2ccsc2CCN1Cc1cccnc1 963002322 ZKCLZPLZGLVRPX-GOSISDBHSA-N 358.898 3.852 0 1 FHAF Oc1ccc2c(c1)[C@](Cc1nc3ccccc3[nH]1)(c1cccs1)NCC2 963328764 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C[C@]1(C(=O)Nc2ccc(F)cc2F)CCN1C(=O)CCC1CCCC1 61925502 AJIDNBLLXUFLRT-LJQANCHMSA-N 350.409 3.865 0 3 FHAF CN1CCC[C@@H]1CCNCc1coc(-c2ccc(Br)cc2)n1 72184571 MIXWIWWCGUBVQW-MRXNPFEDSA-N 364.287 3.678 0 1 FHAF CC(=O)Nc1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1 33891515 WIBMHODPGXACRA-UHFFFAOYSA-N 372.432 3.503 0 1 FHAF COc1cc(-c2n[nH]c3ccnc(-c4cccnc4)c23)cc(OC)c1OC 74388593 XBHGOEAZMBDQCQ-UHFFFAOYSA-N 362.389 3.713 0 3 FHAF O=C(NCC1CCC1)c1cnc(Nc2cccc(Cl)c2)nc1N1CCC1 45192804 UYSCOVPQQYWNTE-UHFFFAOYSA-N 371.872 3.614 0 1 FHAF O=C1NC(=O)[C@H](Cc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)S1 45389670 DDSYPNRHGKUALU-LBPRGKRZSA-N 368.336 3.787 0 1 FHAF COC(=O)Oc1ccc(-c2cc3cc(OC(=O)OC)ccc3oc2=O)cc1 45496237 IRGCZZSDVKOQTG-UHFFFAOYSA-N 370.313 3.750 0 1 FHAF O[C@@H]1CCN([C@H]2CCCC[C@@H]2OCCc2ccccc2C(F)(F)F)C1 143440387 JJQDBGFGKHAQKP-NJAFHUGGSA-N 357.416 3.642 0 1 FHAF COc1cc(C(C[C@H](C)[C@H](C)CO)c2ccc(O)c(OC)c2)ccc1O 238789855 HPMLLVLUXZPREW-UONOGXRCSA-N 360.450 3.902 0 1 FHAF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(OCC(C)C)c(OC)c1 621473839 DKOUZGIQVJYQNW-CFBLSMTOSA-N 364.467 3.536 0 1 FHAF C[C@H](C(=O)O)C1=C([C@]2(C)CCCC(C)(C)C2)CC[C@H](COC=O)C1=O 85803243 MXRAMNMYWHQKPO-LRDNONRASA-N 350.455 3.762 0 1 FHAF biogenic COC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C)cc1 299854660 ASVDUHBVSWJLMH-UHFFFAOYSA-N 355.390 3.677 0 1 FHAF CC[C@H](C)c1nc2nc(N(C)[C@H](C)[C@H](O)c3ccccc3)ccc2nc1O 299884575 UBKAPPMRBPLXAW-KSMMKXTCSA-N 366.465 3.802 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1C)O2 587396420 SEJJLSAFIONOPC-RBZFPXEDSA-N 360.454 3.558 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Cl)cn2)N1 587703198 GABNAFJISZHPTQ-GLEZIHRCSA-N 370.653 3.829 0 1 FHAF COc1cc(O)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587805225 DTQQQFMSRPEBHN-VVVCHXIZSA-N 366.230 3.926 0 1 FHAF CC1=C(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)N2C=C(Cl)C=C[C@H]2N1 587874297 TURYBBRHTUHOMN-HNNXBMFYSA-N 370.771 3.548 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCC3=O)cc1)O2 587396850 WLRSQUXUCBURLW-OAQYLSRUSA-N 350.418 3.585 0 1 FHAF O=C(O)CC[C@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516518 XSXKNXOBDALLJY-OAQYLSRUSA-N 351.402 3.686 0 1 FHAF Fc1cnc2[nH]c(/C=C/c3cccc(I)c3)nc2c1 587183162 BFTKQBSYXMOUGG-SNAWJCMRSA-N 365.149 3.872 0 1 FHAF Cc1ccn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587345084 YITWHHDGTDRREC-FPOVZHCZSA-N 366.392 3.854 0 1 FHAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(Cl)ncnc3[nH]2)c1 586916243 XDSZSTXZVPOSSC-UHFFFAOYSA-N 366.764 3.775 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ncccc1C2 587590360 ZLQSZUFTQUWVBX-KNQAVFIVSA-N 359.381 3.677 0 1 FHAF O=C(O)c1cc(F)cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 587133897 CZMJETALZHMIRX-UHFFFAOYSA-N 360.263 3.912 0 1 FHAF COc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2n1 586977618 ZHIZMXWQJKNIOL-UHFFFAOYSA-N 368.618 3.961 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC23CCOCC3)N1 587836371 TVJYBNMEHYIAOC-GTNSWQLSSA-N 354.263 3.908 0 1 FHAF COc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587728866 UCTYTMYPIWNCRR-ANRSDYALSA-N 369.209 3.755 0 1 FHAF CC[C@]1(c2cc(C(=O)OC)n(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587513389 RWOCJEDFSRTXNW-JOCHJYFZSA-N 367.445 3.961 0 1 FHAF COc1cc(C)c(N)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587248932 FZHREOSZVLCBHL-UHFFFAOYSA-N 367.634 3.940 0 1 FHAF CCOc1ccccc1OCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587780052 LDNGNJFSZYDKQW-UHFFFAOYSA-N 352.369 3.865 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4CC14CCOCC4)[C@@H](C2)C3=O 587452773 LAEDWOFMGRFBJY-MBSDFSHPSA-N 362.425 3.691 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(C=O)n(C)c1)O2 587389735 JBMLXYUNGVDNTA-QFIPXVFZSA-N 360.413 3.637 0 1 FHAF CCOC(=O)c1ccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2c1 587953111 ZSNZQVBXGMQLOG-VQCLRJIVSA-N 360.454 3.817 0 1 FHAF Cc1ccc(-c2noc(C[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 587394590 IBUABJJVRMDUQJ-OAQYLSRUSA-N 363.417 3.902 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(C(F)(F)F)nc1)CC2=O 587464219 LTVZOMKCUGPFCQ-AWEZNQCLSA-N 352.312 3.860 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3ccccc3n2)N1 587776357 WWNJEORVKVSWNL-BTDLBPIBSA-N 360.230 3.860 0 1 FHAF CN1C(=O)C[C@H]2CN[C@H](c3ccc(OC(F)F)cc3F)c3cccc1c32 963038702 ZSQSYNPJXMPWLC-XTZNXHDOSA-N 362.351 3.570 0 1 FHAF COc1cccc2cc3c(nc12)[C@@]1(C[C@@]2(C)CC(=O)C[C@@]2(C)C1)NCC3 963048077 RNLRHGWXDGZNIY-ZBYYUNFXSA-N 350.462 3.754 0 1 FHAF CC(=O)C[C@H](O)CC(=O)[C@@H]1OC(=O)CCCCCC=CCc2ccccc21 254129640 WLMKUHSUSVRAIJ-PGRDOPGGSA-N 372.461 3.633 0 1 FHAF C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4C[C@@H](O)[C@@]32CN1C 2356396609 QESDNCVYXJTJRY-OUEAHEPFSA-N 372.597 3.780 0 1 FHAF O=C(c1ccccc1)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl 26004798 BFTCKWLYJYEVHA-SFHVURJKSA-N 361.228 3.961 0 1 FHAF COC(=O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1Cc1ccc(-c2ccccc2)cc1 64460190 WTXUTKYEZVYCHY-LRSLUSHPSA-N 365.473 3.631 0 1 FHAF CCOC(=O)c1cc(COc2ccnc3cc(C(F)(F)F)ccc23)on1 40409196 ZYNHFJQSWQODSA-UHFFFAOYSA-N 366.295 3.997 0 1 FHAF COc1cc(OC)nc(Oc2ccc(F)cc2C(=O)c2ccc(C)cc2)n1 40918488 TXWBOAPDBSQTKE-UHFFFAOYSA-N 368.364 3.965 0 1 FHAF CCCc1nnc(C[C@@H]2C[C@H](C(C)C)[C@@H](CN3CCOCC3)C=C2C)o1 2356855440 RDMGWOFHZCBLQL-IPMKNSEASA-N 361.530 3.751 0 1 FHAF COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(N)=O)sc3n2)cc1 34635108 DCHCMMBZCZDIDY-UHFFFAOYSA-N 367.352 3.672 0 1 FHAF CCCCC(=O)N(Cc1cccc(OC)c1)c1cccc(-c2nnn[nH]2)c1 84712407 MHLGSRJVQZRTKH-UHFFFAOYSA-N 365.437 3.599 0 1 FHAF O=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1)c1ccccc1 95589394 HOVXIRMSGPGRKG-ROUUACIJSA-N 356.853 3.811 0 1 FHAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)C2CCCCC2)no1 143544572 XXKNGBVKRHUNIU-HNNXBMFYSA-N 361.486 3.872 0 1 FHAF CC(C)C(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C 95579783 BLASTQMPHSPAPH-GOSISDBHSA-N 364.917 3.843 0 1 FHAF Cc1onc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1Br 96271180 QTPMYQMWPIFNGE-UHFFFAOYSA-N 354.248 3.836 0 1 FHAF Cc1cccc(NC(=O)NCCOC(=O)N(O)c2ccc(Cl)cc2)c1 68586622 QQPYHEZQGVWHIN-UHFFFAOYSA-N 363.801 3.802 0 1 FHAF biogenic COC(=O)C1=C2[C@H](OC(C)=O)C[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC(=O)C1 85844938 JHCOOMLHVRTLHK-BIZBXSGISA-N 362.466 3.603 0 1 FHAF biogenic CC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]1c1ccccc1)[C@@]32C 299813972 ZXKPEKZKEYGWNX-NBRHSQTJSA-N 360.457 3.904 0 1 FHAF COc1cccc(CN2CCN(c3ccc(-c4cn[nH]c4)cc3F)C2=O)c1 653778444 KONJEAIXFGJDJV-UHFFFAOYSA-N 366.396 3.667 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587017565 YFAHQKUOMFLCBK-LBPRGKRZSA-N 363.826 3.978 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433756 VXPJMOSMGFHRKM-HTZUNMPGSA-N 373.449 3.649 0 1 FHAF O=C(O)c1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1F 587120408 HXBUQPLAUHNIMV-UHFFFAOYSA-N 364.258 3.962 0 1 FHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1 587787067 UPANPAOKHNSHIJ-KBPBESRZSA-N 352.390 3.524 0 1 FHAF Nc1ncnc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc12 587071707 PCRZOHHQSBVUFD-UHFFFAOYSA-N 357.204 3.971 0 1 FHAF COC(=O)CCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587811946 YAQNQCSBHGOCJT-BONVTDFDSA-N 358.251 3.897 0 1 FHAF C[C@@H](F)[C@@H](N)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587122815 GVDYSYFLDKSMJL-ALFREKQPSA-N 356.117 3.582 0 1 FHAF CCc1nn(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587765759 UARSAJZBWGAOPK-XXFAHNHDSA-N 352.251 3.508 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(OC)cc1F)[C@@H](C2)C3=O 587424963 YSXSUKBDGDDGAU-RBZFPXEDSA-N 358.365 3.514 0 1 FHAF C=Cn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587762522 FRFSRJMFLBUOLM-XXFAHNHDSA-N 350.235 3.817 0 1 FHAF Brc1ccnc2[nH]c(C[C@@H]3OCCc4ccsc43)nc12 587036894 PAVYSDASFBLVDC-JTQLQIEISA-N 350.241 3.638 0 1 FHAF Nc1ccc(F)c(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c1 587141448 SQKFVIJDGVWKBQ-UHFFFAOYSA-N 355.598 3.686 0 1 FHAF O[C@@H]1C[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2ccccc21 586905057 XUMMCXCPCILUHZ-DTWKUNHWSA-N 354.719 3.546 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(-c2ccccc2)n1C 587872359 WDJWUSWNWUCVDC-UHFFFAOYSA-N 363.396 3.873 0 1 FHAF COc1ccc(CC[C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c(C)c1 962929941 JNAQJXWADBVPMZ-NRFANRHFSA-N 352.478 3.525 0 1 FHAF COc1ccc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c(N)c1OC 963105011 MMBXGJGUOBVKNX-YCRPNKLZSA-N 356.441 3.709 0 1 FHAF CCc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 146869673 HYSAXCDPGIPIAF-UHFFFAOYSA-N 357.797 3.760 0 1 FHAF CCc1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1 12354922 NDUNPMAPBHPTHE-UHFFFAOYSA-N 360.464 3.562 0 1 FHAF CCOc1ccc(OCC)c(NC(=O)c2cc(C)c(OCCN)c(C)c2)c1 16052611 PHTPPZCTHZHCQD-UHFFFAOYSA-N 372.465 3.691 0 1 FHAF in-vivo CCSC(=O)n1cc([C@@H](C)[C@@H]2SC(NC)=NC2=O)c2ccccc21 169319778 PNFVJHQIOBGSDD-YGRLFVJLSA-N 361.492 3.683 0 1 FHAF O=C1c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)C[C@@H]1C1CCCC1 169345786 IWHPTUQOOXWZGU-SNVBAGLBSA-N 367.236 3.631 0 1 FHAF Nc1ncc(-c2cc(F)c(O)c(F)c2)cc1-c1cc(F)c(O)c(F)c1 1857535841 FFWVPGLOKRROCI-UHFFFAOYSA-N 350.271 3.965 0 1 FHAF CCN1CCc2c(sc3nc(-c4cc(C)c(O)c(C)c4)nc(O)c23)C1 1857548460 LGHNONSEZYCYKV-UHFFFAOYSA-N 355.463 3.764 0 1 FHAF COc1cc(CC(C)=O)ccc1Oc1cc(CC(C)=O)cc(OC)c1OC 1857601335 DOEYSAQHPSBCIB-UHFFFAOYSA-N 372.417 3.768 0 1 FHAF COCC1(c2ccc(-c3c(-c4cc(C(=O)O)ccn4)ncn3C)cc2)CC1 225932604 IGZZKOJEHRREEV-UHFFFAOYSA-N 363.417 3.525 0 1 FHAF CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1 1893436 IXXTXCSTYLTTPX-UHFFFAOYSA-N 366.889 3.526 0 1 FHAF CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCCC2)[C@@H]1c1cccs1 2460076 ZUMVLQBETUTGHM-MSOLQXFVSA-N 354.475 3.671 0 1 FHAF COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1OC 2480332 CQXYSMHQYURHCW-UHFFFAOYSA-N 370.380 3.533 0 1 FHAF O=C1N(CCO)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 28527305 IXGOFFNUXCZZJI-UHFFFAOYSA-N 370.537 3.720 0 1 FHAF O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1 115714757 ZAUHABBHHZLCNE-UHFFFAOYSA-N 369.509 3.939 0 1 FHAF O=C(Nc1ccc(C(F)(F)F)cc1)c1ccnn1CCc1ccncc1 28822043 ZAMPINLTBPKGEY-UHFFFAOYSA-N 360.339 3.792 0 1 FHAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@@H]3C(=O)O[C@@H]4N=C[C@@]21[C@H]43 2356534088 GTUMUWSDRPQNEC-CMSFYAITSA-N 373.493 3.751 0 1 FHAF CO[C@@H]1OC(=O)C2=C1CC[C@H]1[C@@]2(C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@@]21C 36441250 TVJZRHHUGFVBCQ-RVVYYDBMSA-N 362.466 3.920 0 1 FHAF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(C(=O)NO)cc3)cc12)c1ccccc1 138907581 HJLXEWSRVJQEGZ-CYBMUJFWSA-N 373.416 3.917 0 1 FHAF CN(C)c1cccc(/C=C2\C[C@@]3(OC(=O)c4ccco4)CCCN2C3)c1 96018838 VMQKZHHJCQWVAH-DOIQENQNSA-N 352.434 3.782 0 3 FHAF COc1cc(OC)c(-c2oc3ccc(Cl)cc3c(=O)c2O)cc1OC 95586151 OLMBIUYYKZSMRD-UHFFFAOYSA-N 362.765 3.845 0 1 FHAF Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)CCC3)sc(C)c2C)n1 146727893 SDYSFYSTKWOHPS-UHFFFAOYSA-N 363.464 3.695 0 1 FHAF Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccc(F)c1 653829529 QJGBSKDVIOKCHD-UHFFFAOYSA-N 370.409 3.518 0 1 FHAF Cc1[nH]nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587693850 FVBPOQSDWRFKOJ-DAZKTRTLSA-N 358.642 3.897 0 1 FHAF CCOC(=O)C[C@]1(c2ccc(F)c(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587382053 NSLIZZBGYQLEHV-NRFANRHFSA-N 371.408 3.839 0 1 FHAF C[C@@]1(c2cccc(O)c2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577506 KUKGDLADCSILFR-UTKZUKDTSA-N 363.369 3.557 0 1 FHAF COc1cc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2cc1OC 587020683 CYQCGQCKWMAGGT-UHFFFAOYSA-N 352.419 3.783 0 1 FHAF Nc1cccc(C(=O)O)c1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587248751 VNBXGPPEGLUDOV-UHFFFAOYSA-N 372.253 3.559 0 1 FHAF Cc1n[nH]cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349471 UVRVKFOYEJVRQM-AZUAARDMSA-N 352.365 3.837 0 1 FHAF CN(C)c1ccncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574479 XAIFQDIAGFOAPI-RXVVDRJESA-N 362.385 3.556 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)c(O)c2c1 587649597 QSNXPLCUTOCXSO-UHFFFAOYSA-N 366.236 3.707 0 1 FHAF Cc1nccnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341298 WABLTLJCTDWMBK-RXVVDRJESA-N 364.376 3.904 0 1 FHAF N[C@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1Cl 587057841 RZMLVTDJIZHDJC-SNVBAGLBSA-N 351.740 3.780 0 1 FHAF CCOc1ccccc1[C@](N)(c1nc2c(Cl)ccnc2[nH]1)C(F)(F)F 587093911 ZXCJUQCIHDVNSR-HNNXBMFYSA-N 370.762 3.775 0 1 FHAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2C2(C=CC=CC=C2)N1 963180409 LPKFFACLFSGFEU-CQSZACIVSA-N 355.743 3.835 0 1 FHAF Cc1cc2c(cc1F)[C@]1(C=CN(CC(=O)O)c3cc(Cl)ccc31)NCC2 962369771 AWDUDCTVSNXMLU-HXUWFJFHSA-N 372.827 3.595 0 1 FHAF O=C(O)c1cc2cc(Br)cc(N[C@H]3CC[C@H](O)CC3)c2o1 101419223 IQNDSBJQOZFMDJ-PHIMTYICSA-N 354.200 3.609 0 1 FHAF COc1cc2c(cc1C(=O)O)CC[C@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857555041 NLSSLFXJLKLWNJ-PGRDOPGGSA-N 366.461 3.846 0 1 FHAF CCc1ccc([C@H]2C(c3nn[nH]n3)=C(N)Oc3ccc4ccccc4c32)cc1 1857601754 SQIYWMKLMCICLE-GOSISDBHSA-N 369.428 3.767 0 1 FHAF CCN(CC)c1ccc(NC(=O)c2c(C)noc2-c2snnc2C)cc1 1857609308 TXSINWFEQCCLEF-UHFFFAOYSA-N 371.466 3.908 0 1 FHAF O=C(O)c1cn(C2CC2)c2cc(-n3cnc4ccccc43)c(F)cc2c1=O 1857639800 RWLIVTWZENHJHA-UHFFFAOYSA-N 363.348 3.513 0 1 FHAF Cc1c(N2CCC(=CO)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 1857650727 JQFCHYMRLKFQOU-UHFFFAOYSA-N 372.396 3.524 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCN(CC)CC 4213554 HFRWBUXBAORBRE-OALUTQOASA-N 363.502 3.752 0 1 FHAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1 101142516 YWCATHFJTOJZPZ-BLDHALOPSA-N 356.381 3.806 0 1 FHAF Fc1ccc(N2CCN(CCCOc3cccc4c3CCC4)CC2)cc1 26499807 JJZJVIYRMJVXMG-UHFFFAOYSA-N 354.469 3.906 0 1 FHAF Cc1cc([C@]2(O)CC[C@@H](NC(=O)CCc3ccccc3)CC2)ccc1O 101096729 QJYCACWUDNIMMU-IQGASKDCSA-N 353.462 3.580 0 1 FHAF C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100800369 HRGMOLOUFOLRGV-XBFCOCLRSA-N 357.372 3.641 0 1 FHAF COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccc(F)c(F)c1F 64512096 SWLFIMJHCWVJCZ-VOTSOKGWSA-N 353.252 3.579 0 1 FHAF C/C(=C\Cn1oc(=O)nc1O)c1cccc(OCc2cccc(C)c2)c1 27099358 RLELDMZOTYNOHZ-OQLLNIDSSA-N 352.390 3.533 0 1 FHAF C[C@@H]1CCC[C@@H](C)N1CCN[C@H]1c2ccccc2OCc2ncccc21 27872059 ATMKCXWXGQDJKI-DRSNIGMVSA-N 351.494 3.916 0 1 FHAF Cc1nc2cc3c(cc2o1)[C@H]1CCCN(C(=O)c2ccc4[nH]cnc4c2)[C@H]1C3 117628768 FGANXIQPUHEMEK-QRWLVFNGSA-N 372.428 3.957 0 1 FHAF C[C@@H](C1=CC[C@@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C 2356613245 FCLIIFLKCAQTGH-PSNKSAOFSA-N 361.570 3.847 0 1 FHAF CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 73139435 PANOLYPJHRNFMC-UHFFFAOYSA-N 373.569 3.782 0 1 FHAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc(F)cc3Cl)C[C@H]12 74377155 DLRCQNNHRCBDLA-RDJZCZTQSA-N 358.800 3.663 0 3 FHAF Cc1cccc(-c2nc(NCC3CC3)ncc2C(=O)N2CCCCC2)c1 82145910 JDJNPKPJCVOJDB-UHFFFAOYSA-N 350.466 3.900 0 1 FHAF CN1C(=O)CCc2cc(-c3cncc(COc4ccc(F)cn4)c3)ccc21 221364204 KPOWKWIIKUJLBE-UHFFFAOYSA-N 363.392 3.771 0 1 FHAF CN1C(=O)C[C@@](C)([C@@H]2C[C@H]2c2cccc(CCc3ccccc3)c2)N=C1N 96932942 XPURNBKUEOGBLN-MZKRTTBSSA-N 361.489 3.511 0 1 FHAF CN(C)CCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144805647 CQLREDPVOVHISA-SFHVURJKSA-N 351.368 3.796 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ccnn23)N1 587798372 VFQBMQNXHBEOOR-BMLIUANNSA-N 360.230 3.860 0 1 FHAF CC(=O)NCc1ccc(-c2ccc(-c3ccc(CNC(C)=O)cc3)o2)cc1 2178317159 RKPHWIMTVKFFDU-UHFFFAOYSA-N 362.429 3.886 0 1 FHAF O=S(=O)(O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896688 IYHRUDBLNQHLHK-UHFFFAOYSA-N 366.398 3.849 0 1 FHAF CC(C)(C)OC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598560 YDBPVRYHRNQVFB-LAUBAEHRSA-N 370.401 3.844 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)OC)c2ccccc21 587484201 YUDWDKQAIHGMJF-OPAMFIHVSA-N 366.413 3.866 0 1 FHAF COc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2n1 587018122 VZPGVRGVSZMRRO-UHFFFAOYSA-N 350.403 3.692 0 1 FHAF C[C@@H](O)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586892080 SDRRJASSRUGBAL-LLVKDONJSA-N 361.239 3.828 0 1 FHAF CO[C@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCCCO4)CC1 587952352 PJHZGOAZBTWZLO-WLYUNCDWSA-N 360.454 3.802 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1O 587570748 XRNQOWUZDVBDRI-PXNSSMCTSA-N 352.317 3.940 0 1 FHAF COC[C@]1(CC(=O)C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789700 DHHRLWSHRFTRDM-GTNSWQLSSA-N 372.278 3.579 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(C)(C)C)nn2)N1 587762434 YSTDGNLWPIYCQC-RFAUZJTJSA-N 367.266 3.558 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](O)C(C)(C)C2)N1 587833274 MRHDGVNXOWUYMZ-IGGJQXEISA-N 356.279 3.889 0 1 FHAF CC(C)OC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349898 QSUWLXTUVCZTBQ-CTNGQTDRSA-N 372.392 3.991 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COCc3ccccc32)N1 587837156 ZUXFTTQMHOJXIJ-ZMZPIMSZSA-N 362.242 3.896 0 1 FHAF Cc1cc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2c(C)n1 587014044 HPDLCIICQQGYNO-UHFFFAOYSA-N 359.455 3.723 0 1 FHAF O=C(O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587028993 CXSOKGAXHRTLSF-UHFFFAOYSA-N 351.387 3.964 0 1 FHAF Cc1ccncc1[C@@]1(c2cc(F)ccc2F)NCCc2ccc(O)cc21 963340428 HBORHMXPXXTOFG-OAQYLSRUSA-N 352.384 3.811 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccccc1)c1ccccn1 963607863 KPRSJTZSLGBTTE-HJPURHCSSA-N 360.457 3.925 0 1 FHAF O=C(OCCCc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1 13441741 IRKUHIYIDSNVGK-IBGZPJMESA-N 352.434 3.859 0 1 FHAF CC(C)Oc1ccnc(C[S@](=O)c2nc3cscc3[nH]2)c1Cl 13448645 RQVIYEQFPQNVJF-JOCHJYFZSA-N 355.872 3.768 0 1 FHAF CS(=O)(=O)c1ccc(C(=O)[C@@H](Nc2nccs2)c2ccccc2)cc1 13588952 YFRPOETYTLGQHY-INIZCTEOSA-N 372.471 3.583 0 1 FHAF O=C1O[C@@H](Cn2cc[n+]3ccccc23)CC1(c1ccccc1)c1ccccc1 13651188 DMEZMQFKTRTUQC-OAQYLSRUSA-N 369.444 3.529 0 1 FHAF C[C@@H](c1ccc(F)c(Br)c1)c1n[nH]c(=O)c2c1CCCC2 167519512 RIFDMRFHBVMDOW-VIFPVBQESA-N 351.219 3.702 0 1 FHAF O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccccc2)nn1 1857655933 JPTGPKMZWXVQPH-HXUWFJFHSA-N 374.444 3.761 0 1 FHAF C/C=C/C(=O)Nc1cc2c(N3CCc4ccccc43)ncnc2cc1OC 1857749242 XVKOIQSXRGIPIY-ZZXKWVIFSA-N 360.417 3.847 0 1 FHAF Cc1ccccc1N1C(=O)CN(C(C)(C)C)C(=O)[C@H]1c1ccc(F)cc1 1358086 IZVNZHLVLWQUKU-LJQANCHMSA-N 354.425 3.849 0 3 FHAF COc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5ccccn5)C[C@@H]3N4)cc2)cc1 100107066 AIFQVEDCLCEDCV-UBRQYEGLSA-N 371.484 3.697 0 1 FHAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNC1CCCCC1 2356287890 RMCDARNYWLHGGW-TUNNFDKTSA-N 370.493 3.715 0 1 FHAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1C[C@H]1c1ccccc1)N1CCCC1 26481579 GIAAMKCACACNCN-SXYSDOLCSA-N 366.505 3.572 0 1 FHAF COc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1O 28567907 WGUUJKSYJOWPIV-UHFFFAOYSA-N 351.284 3.547 0 1 FHAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@H]12)[C@@](C)(O)C3 2356440752 OSXQLEITCURIQP-VFFDHWOVSA-N 364.526 3.684 0 1 FHAF CSc1ccc(-c2ccc(-c3cn(CNC(C)=O)oc3=O)cc2)cc1 28524666 ODXVEWMNKRGUQD-UHFFFAOYSA-N 354.431 3.591 0 1 FHAF O=C(CCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)cc1 27196519 DRWPDXAVBOPONN-UHFFFAOYSA-N 367.424 3.752 0 1 FHAF COc1cc(C)c2c(c1C)Oc1c(C)c(C(=O)O)c(O)c(C)c1OC2=O 14514484 KTQOYYBFIJKYGT-UHFFFAOYSA-N 358.346 3.658 0 1 FHAF biogenic COCCn1c(C2CC2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188854 RCOAEUHIXJBIHI-AWEZNQCLSA-N 351.454 3.566 0 1 FHAF CCc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)s1 82164515 VVQLNVQYUBSVJV-UHFFFAOYSA-N 370.453 3.805 0 1 FHAF CCOC(=O)C1=NO[C@H](c2ccc(-c3noc(-c4ccccc4)n3)cc2)C1 40408383 JWIQRRNSMAALPP-KRWDZBQOSA-N 363.373 3.784 0 1 FHAF CC1(C)[C@H]2CC[C@@H]([C@@H](O)C(F)(F)C(=O)c3ccc4c(c3)OCO4)[C@H]1C2 143391749 YKRZWVJRXGAVES-SFDCBXKLSA-N 352.377 3.667 0 1 FHAF COc1cc(/C=C/c2cc(-c3ccc(O)c(OC)c3)[nH]n2)cc(OC)c1 96915995 LBKXCORLYUXPOO-GQCTYLIASA-N 352.390 3.979 0 1 FHAF COc1cc(NC(=O)Cn2ncc3c2-c2ccccc2CC3)ccc1Cl 299822883 PNURBZBVWMHGHT-UHFFFAOYSA-N 367.836 3.949 0 1 FHAF CCn1nccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587762397 YHYDUVXNICZSJB-MGPLVRAMSA-N 352.251 3.602 0 1 FHAF COc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587616348 CBAIFIABQHAEDT-WMLDXEAASA-N 355.371 3.560 0 1 FHAF CC(C)OC(=O)C1(c2nc3cccc(Br)c3[nH]2)CC(F)(F)C1 587130714 PECTVRXQALCCGG-UHFFFAOYSA-N 373.197 3.944 0 1 FHAF CCOP(=O)(C[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)OCC 587450256 SHMVNAOYRLIMTE-KDOFPFPSSA-N 368.366 3.858 0 1 FHAF C[C@H](CC(=O)O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356054 YWAAWYJHWRSDJB-TZFGQJNGSA-N 358.365 3.760 0 1 FHAF COc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1 587656769 NNRVPQHNKCSUHH-UHFFFAOYSA-N 365.339 3.735 0 1 FHAF CCc1cc(O)nc(SCc2nc3ccc4nc(C)ccc4c3[nH]2)n1 586967386 ZQGRFEKSRYFQMQ-UHFFFAOYSA-N 351.435 3.770 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H]1NC(=O)OC(C)(C)C)CC2=O 587471885 WJWIRFIFRUHRDN-JXFKEZNVSA-N 361.438 3.736 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(Cc3ccccc3)CC[C@H]1C)O2 587392512 AZVTYDGFZIPILH-OPAMFIHVSA-N 350.462 3.823 0 1 FHAF COC(=O)c1cc2[nH]c([C@@H]3C[C@]3(C)c3ccccc3OC)nc2cc1OC 587930911 QOPDATZVGCWOJD-LHSJRXKWSA-N 366.417 3.812 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C)O2 587395231 MBLPBQUKMXOIQQ-RNODOKPDSA-N 360.454 3.558 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCc3cc(C(=O)O)ccc31)O2 587408599 QJVKRWNHGIEECW-NRFANRHFSA-N 351.402 3.863 0 1 FHAF Cc1ccc(C)c([C@@]2(C3CCC3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963547501 BPUNTJBJRPEHEG-NZQKXSOJSA-N 365.473 3.960 0 1 FHAF Nc1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c(N)c1 962646907 VKJCLDDAGNZLED-HYBUGGRVSA-N 370.500 3.687 0 1 FHAF C[S@@](=O)c1ccc(C(=O)CC2CCN(Cc3ccccc3)CC2)cc1 13729909 FDANJYRCEXIYKH-VWLOTQADSA-N 355.503 3.909 0 1 FHAF CCC[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(Cc2ccccc2)CC1 13742658 XGIFPVDQRHSUJX-VXKWHMMOSA-N 369.505 3.664 0 1 FHAF C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 18282990 GGJRFAZRJGVNHP-RHOOCQQHSA-N 367.917 3.802 0 1 FHAF C/C1=C/C[C@H]2CNC(=O)c3cc([nH]c32)-c2cccc3nc(C)c(nc23)NC1 150028417 ASZCABSVZBJTKA-GXJZLWQJSA-N 359.433 3.522 0 1 FHAF COc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1F 106654252 IUJUXXPDNDUQBX-UHFFFAOYSA-N 352.329 3.648 0 1 FHAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]12C 3830839 DBEPLOCGEIEOCV-GRQBZCBHSA-N 372.553 3.815 0 1 FHAF O=C(O)[C@@H]1CCCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)C1 6751411 QFQWRDQWSABSDX-CQSZACIVSA-N 354.431 3.629 0 1 FHAF O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1CCn1ccnc1 13600474 JIFATJDCEYXDSG-UHFFFAOYSA-N 350.809 3.614 0 1 FHAF CCN(CC)CCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 26578499 QHNWTXJHPWAPMS-UHFFFAOYSA-N 369.896 3.866 0 1 FHAF C[C@@H](/N=c1\c(O)c(O)\c1=N/Cc1ccc(Cl)cc1Cl)C(C)(C)C 28227423 NCGUEFGGIHEKQJ-XAWGOECBSA-N 355.265 3.716 0 1 FHAF CN(C)C[C@@H]1CCCc2c1c1ccccc1n2S(=O)(=O)c1ccccc1 28884084 DQNHIVUXRKJJAZ-INIZCTEOSA-N 368.502 3.860 0 1 FHAF CN1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)cc2)CC1 29053125 PYPZVKWBGYMJNM-UHFFFAOYSA-N 354.841 3.827 0 1 FHAF CCCCCN1CCCN(c2nc3ccccc3n2CCOCC)CC1 38142565 ZODURRDUCUZBES-UHFFFAOYSA-N 358.530 3.775 0 1 FHAF COc1cc(OC)c2c(C)[n+](-c3ccc(OC(C)=O)cc3)c(C)cc2c1 40936695 HICQCGPRKAVONY-UHFFFAOYSA-N 352.410 3.676 0 1 FHAF Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C)cc1 40939948 QCZDAYIATRXJPL-UHFFFAOYSA-N 367.356 3.612 0 1 FHAF Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@@H](C)Oc1ccccc1 40949692 DLHZJWFNNURKBI-UYAOXDASSA-N 352.478 3.543 0 1 FHAF CC(=O)c1cccc(Nc2nc3cc(C(N)=O)ccc3n2CC(C)C)c1 82191639 MNVRPJJWGSBJRY-UHFFFAOYSA-N 350.422 3.737 0 1 FHAF CCC[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 100852723 NHTGUVBHHDMIOT-WGSAOQKQSA-N 355.526 3.774 0 1 FHAF Cc1noc(C)c1C(=O)Nc1ccc(N2CC[C@@H](N3CCC[C@H]3C)C2)cc1 113332404 QRBMQEJZPMHHQG-AUUYWEPGSA-N 368.481 3.607 0 1 FHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cccc2[nH]ccc12 117590321 BWCINOGGQDOCLM-UHFFFAOYSA-N 364.449 3.679 0 1 FHAF Cc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C 146522596 QLTCKDVHRJIRHT-UHFFFAOYSA-N 367.493 3.984 0 1 FHAF N#CCCN(C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)C1CC1 166470000 RPHJTPVULDXKPU-UHFFFAOYSA-N 374.444 3.753 0 1 FHAF CC[C@@H](O)c1cc(=O)oc2c(C(=O)C(C)C)c(O)c(CC=C(C)C)c(O)c12 200881282 PLWWPOKSAPXDEJ-CQSZACIVSA-N 374.433 3.995 0 1 FHAF CC[C@@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 223660867 QMVULBUNHMZOMI-CYBMUJFWSA-N 354.479 3.748 0 1 FHAF COc1cccc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c12 586971387 WIYJFAUGFFAYEL-UHFFFAOYSA-N 355.463 3.794 0 1 FHAF COC(=O)[C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991490 KOVDVHOMYDDVQX-ZDUSSCGKSA-N 359.381 3.745 0 1 FHAF CCCc1sc(=N)[nH]c1-c1nc2cc(Br)c(C)nc2[nH]1 587013804 YTPHRLVYBUACFA-UHFFFAOYSA-N 352.261 3.517 0 1 FHAF CCCc1nc(-c2nc3cnc(Cl)cc3[nH]2)nn1-c1ccccc1F 587157285 ZYNZPNDPFVRKLA-UHFFFAOYSA-N 356.792 3.951 0 1 FHAF COc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1OC 587165450 VUPCSSOWXNLUEB-UHFFFAOYSA-N 352.369 3.631 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN3CCCC3)cc1)O2 587396718 VVCUFAGLJQFPTO-NRFANRHFSA-N 366.461 3.758 0 1 FHAF COc1cc2c3c(c1)O[C@](C1CCC1)([C@@H](C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587441906 VAJPUFWGZQIURV-IEBOFQNGSA-N 372.461 3.959 0 1 FHAF COC(=O)CCC[C@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453625 XVOPNBJYFTYLHP-VLIAUNLRSA-N 372.442 3.743 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1COc1ccc(F)cc1 587570804 LXSLCCFGJQQRBV-OALUTQOASA-N 366.344 3.941 0 1 FHAF COc1cncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587584510 APDSHNCTYMZSDF-WIYYLYMNSA-N 363.369 3.673 0 1 FHAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587599826 HWDNXCYTGQSRLI-NQIIRXRSSA-N 364.353 3.809 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccnc2Cl)N1 587707410 VLCLHRBEBQEYLU-ANRSDYALSA-N 370.653 3.829 0 1 FHAF COC(=O)c1ccc2nc(C/C=C/c3ccc(OC)cc3OC)[nH]c2c1 587930316 TVWNSTBFUBRJAY-SNAWJCMRSA-N 352.390 3.623 0 1 FHAF Cn1cnc(-c2ccc3[nH]nc(Cc4ccc(-c5cnn(C)c5)cc4)c3c2)c1 653723611 LZRZCEHXAQZTIA-UHFFFAOYSA-N 368.444 3.955 0 1 FHAF Cc1c(F)ccc2c1C1(CCN(CCc3ccc(F)cc3)CC1)NCC2 962150467 ZMASXTRIVVTUFS-UHFFFAOYSA-N 356.460 3.953 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@]1([C@@H]1CCOC1)C(F)(F)F 962371974 IMCILLCAESJPIT-CXAGYDPISA-N 370.440 3.939 0 1 FHAF Cc1ccnc2[nH]cc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c12 962731458 SCSJPUQLXOPHER-GOEBONIOSA-N 359.351 3.606 0 1 FHAF COc1ccc2[nH]cc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2c1 962763287 JYQBSMBDWJUXBB-ROUUACIJSA-N 374.362 3.912 0 1 FHAF CC[C@@H](C)Oc1c(O)ccc2c1CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 1772632413 BTEHEQVRGFEGCF-ACJLOTCBSA-N 369.461 3.939 0 1 FHAF CC[C@H](C)Oc1c(O)ccc2c1CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 1772632414 BTEHEQVRGFEGCF-UGSOOPFHSA-N 369.461 3.939 0 1 FHAF COc1ccc2nc(C)cc(OCC(=O)Nc3cc(C)cc(C)c3)c2n1 1772640528 HBJVPIPPULFYOI-UHFFFAOYSA-N 351.406 3.581 0 1 FHAF CC1(C)[C@@H](C(=O)NCc2noc(-c3ccco3)n2)[C@@H]1c1ccc(F)cc1 1857641547 UEHKZKUTIYBPIQ-JKSUJKDBSA-N 355.369 3.525 0 1 FHAF C=CC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 1911572522 ABMNQTXKLDIPPS-GOSISDBHSA-N 371.234 3.505 0 1 FHAF CC(=O)[C@H](O)C(=CCO)[C@@H]1C[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 2356610398 ZRCMCFDZTMUNHB-GUUIKRHKSA-N 364.526 3.645 0 1 FHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3C[C@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356760234 QGTYZUYXCSOOSC-LFVNJNSLSA-N 350.474 3.866 0 1 FHAF CC(C)Cn1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21 1370979 PYHASHKYGXKFJD-UHFFFAOYSA-N 368.506 3.716 0 3 FHAF CC/[S@](C[C@@H]1CC1(Cl)Cl)=N\S(=O)(=O)c1ccc(C)cc1 13139780 JZRAFTAUOCQBSL-WLRWDXFRSA-N 354.324 3.699 0 3 FHAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCOCCO)cc1 2483817 AELGDYZNTAFWCZ-UHFFFAOYSA-N 374.481 3.501 0 1 FHAF O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccs2)[C@H]1C(=O)c1cccs1 100275976 NEENZGLTVOMNJO-GJZGRUSLSA-N 371.439 3.554 0 1 FHAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc([C@@H](C)N(C)C)cc1)C2 28124586 RHJZVHBZRMYJOI-ZUOKHONESA-N 355.434 3.513 0 1 FHAF COc1ccc([C@@H]2NC(S)=NC(c3ccccc3)=C2CC(=O)O)cc1 29466798 LUCAVZIDMZCQMG-SFHVURJKSA-N 354.431 3.511 0 1 FHAF COc1cc(C[C@@H](C)[C@H](C)Cc2cc3c(cc2O)OCO3)c(O)cc1O 2356581575 AZKDNDQVWNXSHU-VXGBXAGGSA-N 360.406 3.598 0 1 FHAF Cc1nc([C@@H]2C[C@H]2c2ccc3ccccc3n2)cc(-n2nc(C)nc2C)n1 218655740 ZWVINXYDIPXGPI-IAGOWNOFSA-N 356.433 3.802 0 1 FHAF COc1ccc(-n2ccc3c(sc4nccc(N(C)C)c43)c2=O)c(F)c1 35285137 UMDKBGDQXHBTGM-UHFFFAOYSA-N 369.421 3.814 0 1 FHAF CC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(=O)C(C)(C)C(=O)C3(C)C 15252615 MEPZRMGKLLUDEW-UHFFFAOYSA-N 354.402 3.831 0 1 FHAF biogenic COc1cc(C(F)(F)F)cc2c1nnc1c(C)nc(-c3ccncc3C)n12 84690595 NNRBBYSQRDRSCZ-UHFFFAOYSA-N 373.338 3.984 0 1 FHAF COc1cc(CNc2cc(-c3cccc(C(C)=O)c3)ncn2)cc(OC)c1 82162376 NDXCOUCWIWIIMC-UHFFFAOYSA-N 363.417 3.976 0 1 FHAF COc1cccc(CNc2cccn3nc(Nc4ccc(C)nc4)nc23)c1 96169905 CEVGQFXSFOHNTH-UHFFFAOYSA-N 360.421 3.797 0 1 FHAF CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(OC)c(F)cc2c1=O 95553340 WRIWLKXODWOERG-UHFFFAOYSA-N 371.364 3.528 0 1 FHAF CC(C)NC(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 299870155 OHQDRZHZEKGJSZ-DBGRRDFISA-N 369.505 3.958 0 1 FHAF in-vivo CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)NC3CC3)cc1)CC2=O 587471576 UCAQDVQQJVKVLD-HXUWFJFHSA-N 365.429 3.943 0 1 FHAF CC1=C(c2ccc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c3c2)NNC(=O)C1 587959452 DZFUDKZLNVGCIG-IRXDYDNUSA-N 358.445 3.665 0 1 FHAF Cc1c(CC(=O)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622009 UEYZYNRFFDDTFI-UHFFFAOYSA-N 360.133 3.789 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c1ccc(Cl)c2Cl 587380195 QOXRABDVBHIEDD-QGZVFWFLSA-N 363.200 3.697 0 1 FHAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1O 587524908 NOQGWKZEKCRGNW-KRWDZBQOSA-N 354.402 3.995 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2C(=O)O)N1 587845395 QXDOKMPIYAPJIV-WPPNPWJKSA-N 370.243 3.972 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2F)N1 587738883 ROKZQJFVNMBCIJ-ABKXIKBNSA-N 353.210 3.920 0 1 FHAF COC(=O)CCC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440938 BXSCFOXPMLAGSV-VGSWGCGISA-N 366.413 3.681 0 1 FHAF COC(=O)c1ccnc2[nH]c([C@@H](C)CC(=O)c3ccc(Cl)cc3)nc12 587069332 IDNCGJYEHPEYTC-JTQLQIEISA-N 357.797 3.774 0 1 FHAF Cc1ccc2c3c(c4c(nc13)CC[C@@]1(CCC(=O)N1)C4)-c1ccccc1C2=O 587096228 IAXUGYBRCGSCOY-XMMPIXPASA-N 368.436 3.892 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 587194885 CPYDSMPIPHMKPJ-CQSZACIVSA-N 351.450 3.886 0 1 FHAF CCS(=O)(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 587095666 PRARJHZONFRUAG-UHFFFAOYSA-N 369.368 3.625 0 1 FHAF COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587774197 TVMOWLULSFRSCJ-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF Cc1cncc(C)c1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587924093 DTMMSFVRRNTSMK-UHFFFAOYSA-N 359.476 3.860 0 1 FHAF COc1ncc(C)cc1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962721729 WGYPQBKKZQIRHY-LIRRHRJNSA-N 358.482 3.991 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(=O)OCC)c1cccn1C 963242974 QUUYOBYWNRBKGE-VGOFRKELSA-N 354.494 3.879 0 1 FHAF COc1ccc(-c2cccc([C@@H](CC(=O)O)c3nnc(C)o3)c2)c(OC)c1 1772621113 RDCYLSLBLQWHCF-QGZVFWFLSA-N 368.389 3.669 0 1 FHAF CN(C)C(=O)Cc1c(-c2cccc(F)c2)nc2ccc(C(F)(F)F)cn12 1772643569 HXPDSZXOYAEESD-UHFFFAOYSA-N 365.330 3.790 0 1 FHAF CC(C)(C)c1cc(C(=O)CS(=O)(=O)CC2CC2)cc2c1OCC2(C)C 12352392 VFJATJUXSGULNB-UHFFFAOYSA-N 364.507 3.662 0 1 FHAF CCCn1c(=O)c2[nH]c(/C=C/c3ccc(Cl)cc3)nc2n(CCC)c1=O 12405392 OYLUZVGMCUONPJ-JXMROGBWSA-N 372.856 3.530 0 1 FHAF C[C@H]1CN(CC(F)(F)F)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1 14967304 PLVSLGFGXYLLNA-ZETCQYMHSA-N 366.261 3.697 0 1 FHAF CCOc1ccc2nc(N3CCCN(Cc4ccoc4)CC3)nc(C)c2c1 14992214 NMXOCHQENXGJPH-UHFFFAOYSA-N 366.465 3.642 0 1 FHAF CN(C)C(=O)CO[C@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205708360 YRHQDZGOAOBKTR-KRWDZBQOSA-N 364.367 3.860 0 1 FHAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@](C)([C@@H](O)CO)C=C3CC[C@@H]2C1(C)C 1857764376 HDAVJCMVYUQZRW-BHNQRHOYSA-N 364.526 3.850 0 1 FHAF CCOC(=O)c1cc2ccc(Cl)cc2n1S(=O)(=O)c1ccccc1 3654321 OVAVOTJNWWQONL-UHFFFAOYSA-N 363.822 3.708 0 1 FHAF CC(C)n1c(-c2ccc(C(=O)N3CCN(C)CC3)cc2)nc2ccccc21 5130886 CBDGMELQZHYDSH-UHFFFAOYSA-N 362.477 3.672 0 1 FHAF COc1cc(CCc2cc(CCc3ccc(O)c(OC)c3)on2)ccc1O 34321208 JDYKYKYVEKJRRS-UHFFFAOYSA-N 369.417 3.673 0 1 FHAF COc1cccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c1 34804211 LEUYNDGCTDJNAH-UHFFFAOYSA-N 358.353 3.586 0 1 FHAF CCOC(=O)c1cccc(OC[C@H](CC)OC(=O)NCc2ccccc2)c1 38231150 QMRJXGISAOOXKD-SFHVURJKSA-N 371.433 3.947 0 1 FHAF O=C(Cc1ccccc1)N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45191327 SKPDMKAGVITLSE-QGZVFWFLSA-N 365.864 3.826 0 1 FHAF CCN1CC2=C(NC(=S)N[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 96282936 BCBPTKMBLADSLS-ZPBCLNFZSA-N 361.514 3.879 0 1 FHAF O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(F)c2)cc1 100099567 RKSJYOPHWIBWAS-ZBYYUNFXSA-N 364.464 3.949 0 1 FHAF O=c1[nH]nc2c3c(cccc13)N[C@H](c1ccc(F)cc1)[C@H]2c1nccs1 117870818 MZEQOWHGLGJDMY-HZPDHXFCSA-N 364.405 3.817 0 1 FHAF Cc1cncn1CCCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C)C3 138325311 KVEARTDQFDOZSV-NSHDSACASA-N 374.535 3.841 0 1 FHAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@@H]1COc2cnccc21 146509118 HROAYDAYKAMFFW-GFCCVEGCSA-N 356.731 3.546 0 1 FHAF Cc1cc2ccccc2n1CCNC(=O)c1cnc(Nc2ccccc2)nc1 169352255 GRLAKJMAAOZRNS-UHFFFAOYSA-N 371.444 3.913 0 1 FHAF O[C@@H]1CCN([C@H]2CCCC[C@H]2OCCc2ccccc2C(F)(F)F)C1 208433539 JJQDBGFGKHAQKP-BPQIPLTHSA-N 357.416 3.642 0 1 FHAF C/C=C(/COC(C)=O)C(=O)O[C@H](C)c1ccc2c(c1)C(=O)CC(C)(C)O2 238787162 JDGHCZZJPFSXSA-KXQKXUNCSA-N 360.406 3.544 0 1 FHAF O=C(Nc1cccc(Nc2ncccc2-c2ncnc3[nH]cnc23)c1)C1CC1 299840166 UTQHRNZQNHJNAJ-UHFFFAOYSA-N 371.404 3.507 0 1 FHAF O=C(O)c1cc2sc(=Nc3cccc(Br)c3)[nH]c2cc1O 473082719 KYLBEQUYHODPLX-UHFFFAOYSA-N 365.208 3.628 0 1 FHAF CN1CCN(c2ccc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3c2)CC1 586887350 HZSSTYJJKORWFH-CVDCTZTESA-N 358.489 3.686 0 1 FHAF Nc1ccc(-c2ccc3nc([C@@H]4COc5ccccc5O4)[nH]c3c2)cc1N 586918706 QXDCQKXCJWPGCK-FQEVSTJZSA-N 358.401 3.907 0 1 FHAF CCOC(=O)[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586991234 IQXLXENYDUTVTF-LBPRGKRZSA-N 373.408 3.820 0 1 FHAF CCOc1n[nH]c(-c2nc3cc(Br)cc(F)c3[nH]2)c1Cl 587065423 PVNSXVATEBLRAV-UHFFFAOYSA-N 359.586 3.907 0 1 FHAF CN(C)CCOc1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1 587070328 HFJANUCGONSTRU-UHFFFAOYSA-N 357.841 3.582 0 1 FHAF Cc1onc(-c2nc3c(O)nccc3[nH]2)c1COc1ccc(Cl)cc1 587075481 JIFAPSIACNEMPH-UHFFFAOYSA-N 356.769 3.859 0 1 FHAF COc1ccc(-c2nc3cccc(O)c3[nH]2)c(I)c1 587180197 ORZQEFLSLAIXKT-UHFFFAOYSA-N 366.158 3.549 0 1 FHAF CC(=O)N1C[C@@H]2CC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3cccc1c32 587399995 MZFQTDGFTRHSAA-RCDICMHDSA-N 362.429 3.682 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)O[C@H](C)c1ccccc1)[C@@H](C2)C3=O 587437867 ASXJJLKNRJYJSJ-BUTRMIIQSA-N 366.413 3.896 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C(C)=O)cc(C(C)=O)c1)[C@@H](C2)C3=O 587445493 KGDBEETWYMOPPW-AVRDEDQJSA-N 364.397 3.763 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(=N)[nH]c1Cl)CC2=O 587462540 QZALVYBXSMOJEJ-NSHDSACASA-N 368.220 3.561 0 1 FHAF CCOC(=O)[C@H](CC)[C@@]1(COC)CC(=O)c2ccc3c(c2O1)CCCC3 587520563 FIUFCUXALPEUAC-UWJYYQICSA-N 360.450 3.505 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cnc1O 587552382 QXSMEABKCXAVIY-MAUKXSAKSA-N 369.760 3.849 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn2ccnc12 587588275 SDFRWSMQSRSBLQ-XLIONFOSSA-N 358.353 3.743 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1ccncc12 587589194 WCSLKSDCIGTFBA-UGKGYDQZSA-N 359.381 3.981 0 1 FHAF COc1ccc(O)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594625 OZGOLSJANQFIAA-RXVVDRJESA-N 364.353 3.809 0 1 FHAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2O)cc1Cl 587649985 UCXXNXGFDGOICP-UHFFFAOYSA-N 351.811 3.606 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)cccc2F)N1 587717941 HADYNKPPZGOGBT-VPTHRUTESA-N 353.210 3.933 0 1 FHAF CCn1nc(C(F)(F)F)cc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873852 KNSNSRKEDMJQNX-UHFFFAOYSA-N 366.274 3.719 0 1 FHAF CCOC(=O)[C@@H]1[C@H](C)CC[C@]12c1ccsc1CCN2Cc1cccn1C 962371723 HLNIFXMBRHGEEI-JJXUHFIVSA-N 372.534 3.949 0 1 FHAF Fc1cccc2c1CCN([C@H]1CCSC1)C21CCC(n2cnnc2)CC1 962709626 OQWPOCJZRQVJNN-NGEICVOHSA-N 372.513 3.791 0 1 FHAF CCn1cc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)n1 962713662 SMAXWBZZRKBEJZ-FOIQADDNSA-N 359.514 3.978 0 1 FHAF Clc1c(Br)cccc1[C@H]1NCCc2nc3ccccn3c21 962982689 JFFPFKWXKFNENR-OAHLLOKOSA-N 362.658 3.985 0 1 FHAF CCC1=NC[C@@H](c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)N1 1857611084 UKQXHIQJJOSOSE-SFHVURJKSA-N 367.474 3.640 0 1 FHAF CCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@@H](CC)C2 1857772800 ZDCSNDGXGFXYRH-ZDUSSCGKSA-N 357.406 3.518 0 1 FHAF CC(=CCCC(C)=CCC=C(CC(=O)c1cc(O)ccc1O)C(=O)O)CO 2356662253 JHFPPFNPDFTJSI-UHFFFAOYSA-N 374.433 3.737 0 1 FHAF CO[C@]12C[C@@H]3CC[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@@]3(C)CC1=C(C)C(=O)O2 2356688710 JRMPASZWXGEACK-QBAQHBBDSA-N 362.466 3.927 0 1 FHAF CO[C@@H]([C@H](C)C=CC(C)=CC(N)=O)[C@@H](C)[C@@H](C=Cc1ccccc1)OC 2356699209 JCMQQWWEDGWMJB-MXKPZRPRSA-N 357.494 3.990 0 1 FHAF Cc1ccc2nc(N3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)[nH]c2c1 21714487 ZLRCLJQAEWVFPR-INIZCTEOSA-N 362.477 3.965 0 1 FHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccccc1 27869715 GKHRBNQBNKXBSR-IBGZPJMESA-N 352.434 3.950 0 1 FHAF COc1ccc(N2Cc3ccccc3C2=O)cc1OCCN1CCCCC1 28819732 ZLODSUVSAVWGBZ-UHFFFAOYSA-N 366.461 3.720 0 1 FHAF 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)CC[C@]12O 33829758 XZTUSOXSLKTKJQ-BZQSHQAUSA-N 374.521 3.604 0 1 FHAF COc1ccc2[nH]c3c(c2c1)[C@@H]1CCN(C1)[C@@H]3C(=O)OCc1ccccc1 34804547 GJRDOKLPYMRLFW-VFNWGFHPSA-N 362.429 3.764 0 1 FHAF CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(O)c2)NC(=S)N1 73314327 SGDOJKYPAOQPNF-SFHVURJKSA-N 374.506 3.699 0 1 FHAF CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc2c1CCCC2 84671194 SEZVKJGMZCFKJK-OAQYLSRUSA-N 363.457 3.696 0 1 FHAF CCc1nnc([C@H](Cc2ccccc2)n2sc3ccccc3c2=O)o1 95595780 ZXDPNTWLDRMMJO-HNNXBMFYSA-N 351.431 3.841 0 1 FHAF CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccsc2)C(=O)O)=N1 96908784 OXBIDUINFHVPAR-HNNXBMFYSA-N 362.882 3.768 0 1 FHAF O=c1nc(-c2ccccc2F)sn1-c1ccc(OC(F)(F)F)cc1 103189116 LAIWBGPJDPLQDX-UHFFFAOYSA-N 356.300 3.999 0 1 FHAF COc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1 103254795 XHPRMHICBLVABY-UHFFFAOYSA-N 351.387 3.856 0 1 FHAF COc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)cc1 103254818 JSVXJPUKWRIIPM-UHFFFAOYSA-N 351.387 3.856 0 1 FHAF O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CNc1cc(Cl)ccc1Cl 104704506 YFIXDYNMAZSAIG-QWRGUYRKSA-N 359.640 3.881 0 1 FHAF Cc1cc2c(cn1)CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 169711793 NLCHXVUCIOYIME-UHFFFAOYSA-N 374.423 3.505 0 1 FHAF CC(C)CC(=O)N1CC(=O)c2sc(Nc3ccc(F)cc3F)nc2C1 299849383 BKKLQCSKGFBFES-UHFFFAOYSA-N 365.405 3.736 0 1 FHAF CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(C)n1 299854815 AKHOLLDFJCNZSY-FTRWYGJKSA-N 370.493 3.768 0 1 FHAF N[C@@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F 587157303 SGBMWYGUYUTTAK-QFYYESIMSA-N 351.303 3.942 0 1 FHAF CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587398327 DYDHZUPPKSALAI-LHSJRXKWSA-N 353.418 3.637 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1[C@@H]3C[C@H]1N(C(=O)OC(C)(C)C)C3)O2 587399607 KULJHGQNUCRYCQ-SYHFTWANSA-N 372.465 3.557 0 1 FHAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427539 IPUDCOGCTFAGJW-ARZLJQGISA-N 353.393 3.553 0 1 FHAF COc1cc2c3c(c1)O[C@](C[C@H](C)C(=O)O)(c1ccccc1F)[C@@H](C2)C3=O 587427837 WGDXLTXMAYRGIE-DQLGPHAMSA-N 370.376 3.588 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1nc(C)c(Br)s1)[C@@H](C2)C3=O 587452161 QTBUOHKGBOABRZ-ZANVPECISA-N 366.236 3.711 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCC(=O)Nc3ccccc31)CC2=O 587479879 DGGAFRBHGCCLGJ-OAQYLSRUSA-N 351.402 3.938 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(c3nnc(C)s3)CC1)CC2=O 587495143 NPHHZPKJNUYAGJ-UHFFFAOYSA-N 373.478 3.509 0 1 FHAF O=C(O)C[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531422 FZDHOKBLSSRTGT-NRFANRHFSA-N 352.386 3.606 0 1 FHAF CCOC(=O)C(C)(C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597235 QFCDSUKDTWXMHR-HRAATJIYSA-N 370.401 3.702 0 1 FHAF CC(=O)C12CC([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)(C1)C2 587603410 OJJXGGKEFXXKPJ-LDIWMBKBSA-N 364.397 3.872 0 1 FHAF O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587616005 YMMLGLGFSIHSDU-QFBILLFUSA-N 352.367 3.969 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2C(=O)O)N1 587844362 NGXOIGXKAKRHNN-CPFSXVBKSA-N 370.243 3.972 0 1 FHAF CNC(=O)c1csc(-c2cnc3[nH]c(COc4ccccc4)nc3c2)c1 1857587811 FSLJMWFSHWRQCB-UHFFFAOYSA-N 364.430 3.625 0 1 FHAF CC(C)C[C@H]1C(=O)N[C@H](C)CN1C(=O)c1ccc(-c2ccccc2)cc1 1857613718 NRQXXLICFHQCOS-UZLBHIALSA-N 350.462 3.729 0 1 FHAF CC1(C)OC(=O)C=CC2=CC3=C(CC[C@@H]21)[C@]1(C)[C@H](O)CC(=O)[C@@]1(C)CC3 2356326128 VAVPMWAWMDNSAO-UKYAFMKFSA-N 356.462 3.651 0 1 FHAF COc1cc(C(C[C@H](C)[C@@H](C)CO)c2ccc(O)c(OC)c2)ccc1O 2356422167 HPMLLVLUXZPREW-KBPBESRZSA-N 360.450 3.902 0 1 FHAF CCCC=C[C@H](OC(C)=O)[C@]1(C)C(=O)O[C@@H](C(C)(C)C)C[C@@H]1OC(C)=O 2356697819 RGVVQSZQMJUXMK-CLWJZODNSA-N 368.470 3.574 0 1 FHAF COc1ccc(C=CC(=O)OC[C@H]2CCCN3CCCC[C@H]23)cc1OC 2356734468 QROSMYNPMUCJFW-QZTJIDSGSA-N 359.466 3.525 0 1 FHAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC[C@H](O)CC 775638 SJZXLFCAYYGAOR-CYBMUJFWSA-N 360.454 3.539 0 1 FHAF CC[C@@H](NC(=O)N1C(=O)C[C@@H]1SCc1ccccn1)c1ccccc1 5846791 HOPRIRGXAOEBRS-AEFFLSMTSA-N 355.463 3.734 0 1 FHAF CN(C)C[C@H]1CN(c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O1 13833924 WCIFNJXQCFHSLO-SFHVURJKSA-N 360.841 3.806 0 1 FHAF CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1NCc1cccc(Cl)c1 20465380 FUONBBIHWLFFNR-UHFFFAOYSA-N 360.866 3.911 0 1 FHAF OCCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 22937804 ZTECBXOHIVSPQL-FPOVZHCZSA-N 374.887 3.666 0 1 FHAF COC(=O)c1cnc(C(=O)CCc2ccc(COc3ccccc3)cc2)o1 29136284 SYPJJJXIOQYZFI-UHFFFAOYSA-N 365.385 3.856 0 1 FHAF CC[C@H](C)Nc1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 40940295 OGTPHDYRZSEDNM-LBPRGKRZSA-N 369.469 3.944 0 1 FHAF COc1ccc(C(=O)Nc2ncnc3[nH]c(/C=C/c4ccccc4)nc23)cc1 58608332 HXVFZTYOVKBZOJ-KPKJPENVSA-N 371.400 3.784 0 1 FHAF COc1ccc([C@H]2c3c(ccc4ccccc34)O[C@H]3NC(=O)NC(=N)[C@H]23)cc1 64453872 CVWPPMKSHIKWNI-HFSMHLIXSA-N 373.412 3.605 0 1 FHAF CC[C@H](C)CN1C[C@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 66129514 LZBCXHGIIMSXTK-ZRUXZUCSSA-N 355.309 3.947 0 1 FHAF CC[C@@H]1C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@H](C(C)C)C(=O)N1 100087547 CQYQOVCXZAQFHL-KVOUSDQISA-N 372.509 3.795 0 1 FHAF O=C(O)c1ccc2c(c1)/C(=C/CN1CCSCC1)c1ccccc1CO2 100814726 JHZFMQGQDFMTCT-CNHKJKLMSA-N 367.470 3.758 0 1 FHAF COc1c2c(cc3oc(C)cc(=O)c13)O[C@H](C(C)(C)OC(=O)C=C(C)C)C2 146327590 PGWFRPVYUOMSLM-KRWDZBQOSA-N 372.417 3.702 0 1 FHAF O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1 299819830 FXONLBNQOLPEBX-UHFFFAOYSA-N 374.396 3.818 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 586937897 GTQQPUTYKLOVAM-SNVBAGLBSA-N 365.405 3.585 0 1 FHAF Cc1cncc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 587000762 URVSFFKTGZUQHM-UHFFFAOYSA-N 372.178 3.508 0 1 FHAF FC1(F)Oc2cc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3cc2O1 587016008 DTXXETMGXJWFDO-SNVBAGLBSA-N 351.334 3.859 0 1 FHAF Oc1c(Br)ccc2nc(-c3csc4c3CCOC4)[nH]c12 587031352 FROXCNNJLUVDTD-UHFFFAOYSA-N 351.225 3.832 0 1 FHAF Clc1ccc2c(c1)C[C@@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)O2 587079582 DSHKTKUSPGZFKC-IBGZPJMESA-N 369.852 3.725 0 1 FHAF NC(=O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1O 587102999 CJATZDNRKJEPSI-UHFFFAOYSA-N 366.376 3.918 0 1 FHAF O=C1C[C@H](c2nc3cc(F)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587147806 BLSGEBNVQAASFB-JTQLQIEISA-N 363.314 3.635 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cncc(C)c4[nH]3)c2)c1 587236127 STAZTGKGBRETEB-UHFFFAOYSA-N 356.429 3.884 0 1 FHAF Cc1ccccc1CC(=O)c1c(CO)oc2cc(Br)cnc12 587273513 KOFJFNBKFZSMIQ-UHFFFAOYSA-N 360.207 3.816 0 1 FHAF CC[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334584 FNWYKVOXPZQVPJ-FPOVZHCZSA-N 364.376 3.986 0 1 FHAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)cc1Cl 587365901 IFPABVTZXFSNFZ-UHFFFAOYSA-N 366.602 3.827 0 1 FHAF COc1cccc([C@]2([C@@H](C)CN(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587385997 GIXILLXRZIJWDO-OYHNWAKOSA-N 368.477 3.644 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C13CC(CC(=O)OC(C)(C)C)(C1)C3)O2 587401930 TXOWCXLFSPJMIR-ATIQYGATSA-N 357.450 3.813 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1cc(C)ccc1C)O2 587407760 KVPHXDNXEWDNSB-OAQYLSRUSA-N 353.418 3.920 0 1 FHAF Cc1cc(C)n(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587582394 PEMBKIVXWRIKFZ-RXVVDRJESA-N 364.401 3.626 0 1 FHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587787424 VNKBVHXMGANHCG-NWDGAFQWSA-N 372.327 3.828 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(CC(=O)O)CC2)N1 587825273 CIZHFKDVGUJKBH-LJRHVDQYSA-N 370.262 3.983 0 1 FHAF C=Cc1cccc(-n2ncc3c(N(O)CCc4ccccc4)ncnc32)c1 621485952 VMPCICYVIQKTSF-UHFFFAOYSA-N 357.417 3.897 0 1 FHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccc(-c3cccc(O)c3)cc2)N1 962924584 UBDQMFLQHLPLBU-SFTDATJTSA-N 363.388 3.887 0 1 FHAF CN1CCc2cnn(C)c2[C@@]1(c1ccc(-c2ccccc2)cc1)[C@H]1CCCO1 963955260 OTHSGQHZSMGITK-ISKFKSNPSA-N 373.500 3.998 0 1 FHAF COc1ccc(O)c(C(=O)NCCc2ccc(-c3cnc(C)s3)cc2)c1 1857543350 VUQAAWJAZHRRTE-UHFFFAOYSA-N 368.458 3.805 0 1 FHAF COc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2occc12 1857575317 AAVMZXZJMCBGKF-UHFFFAOYSA-N 374.400 3.670 0 1 FHAF Cc1ccc2c(NC(=O)C(=O)Nc3ccccc3)c(C(=O)C3CC3)[nH]c2c1 1911584359 JIHDLYMYLXGSQQ-UHFFFAOYSA-N 361.401 3.646 0 1 FHAF COc1cc2cc3c(c(O)c2c(O)c1C=CC(C)C)C(=O)C[C@](C)(O)C3 2356501886 QEMNROQOCQGNHL-OAQYLSRUSA-N 356.418 3.809 0 1 FHAF CC(C)N[C@@H]1CC(C)(C)[C@@H]2C[C@](C)(O)CC[C@]21CCC(=O)N1CCCC1 2356847769 OZJOBIGXZFNENI-XHIHJMKYSA-N 364.574 3.723 0 1 FHAF CCOC(=O)c1nc2ccccc2nc1Oc1cc(OC)cc(OC)c1 1654493 JVHKGJUNPLLOCW-UHFFFAOYSA-N 354.362 3.616 0 1 FHAF CC1(C)CC[C@@H](N2C(=O)CC(=O)N(CCc3ccc(Cl)cc3)C2=O)C1 101678297 ZVPGTNZAMTXWKJ-OAHLLOKOSA-N 362.857 3.642 0 1 FHAF Cc1cc(C)n2s/c(=N\C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)nc2n1 103196633 MOCBZKFSSHQOBA-BAOKRACBSA-N 374.897 3.928 0 1 FHAF CCC(=O)NCCn1c(CCc2ccccc2)cc2ccc(OC)cc21 29222339 NDHSOPKNFPWRBR-UHFFFAOYSA-N 350.462 3.961 0 1 FHAF CC=C(C)[C@@H]1O[C@@H]2C(CO)=C[C@](C)(C=CC(=O)O)[C@@H]3C(C)=C[C@]1(C)[C@@]23C 2356481711 ZEQFTKODFDOLED-KINXCBNHSA-N 358.478 3.888 0 1 FHAF Cc1cc2c(c(C)c1Br)C=C(C(=O)O)[C@H](C(F)(F)F)O2 217519088 ZAEJFCCEYBSYJM-LLVKDONJSA-N 351.118 3.857 0 1 FHAF COC1CCC2(CC1)Cc1ccc(OCC3CC3)cc1[C@@]21N=C(C)C(N)=N1 210676116 DSCREMQTOOAGKC-IVXJCAOYSA-N 367.493 3.591 0 1 FHAF O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccc(Cl)cc1 1911576121 OCUJTOWITCSIOX-UHFFFAOYSA-N 368.845 3.916 0 1 FHAF COc1ccc(-c2nc3n(c2-c2ccc(OC)cc2)CC(=O)S3)cc1 40504582 BZXJYEXASOVMMD-UHFFFAOYSA-N 352.415 3.867 0 1 FHAF CC1(C)C=Cc2c(c(O)cc3c2OC[C@@H]2c4cc5c(cc4O[C@@H]32)OCO5)O1 85996205 JEDDWGYBFZMEOV-YJYMSZOUSA-N 366.369 3.915 0 1 FHAF biogenic,in-vitro O=C(O)CCCCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 473108808 OOSURJSBMJOWIC-UHFFFAOYSA-N 370.357 3.505 0 1 FHAF CCOC(=O)[C@H](CC)Cc1ccc(C(=O)NCc2ccc(OC)cc2)cc1 653807482 FDZDXLUVLSJIRY-GOSISDBHSA-N 369.461 3.757 0 1 FHAF COc1ccc(-n2cnc3c(Cl)cc(Cl)cc3c2=O)c(OC)c1 653714974 LWVPFQYMUNWRLK-UHFFFAOYSA-N 351.189 3.710 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCN(c3cccc(C)n3)CC1)O2 587395518 NPDYGRHPWUZECK-IBGZPJMESA-N 351.450 3.531 0 1 FHAF COc1cc(OC)c(OC)cc1C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399941 NUJYNIWBGULHAY-NRFANRHFSA-N 371.433 3.570 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(F)c(F)c1)O2 587382731 ULFNXQYHSRMNNK-IBGZPJMESA-N 361.344 3.581 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)ccc(OC)c1N)CC2=O 587473483 VZWOJOKPPXBUKE-QGZVFWFLSA-N 357.406 3.651 0 1 FHAF COc1cnccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587773407 IIENYAABUYSTJU-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF O=C1C[C@](CCc2ccccc2)(C(=O)O)Oc2c1ccc1c2CCCC1 587529280 MRQIVXGVTOISOC-JOCHJYFZSA-N 350.414 3.987 0 1 FHAF COCc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587853251 LRXNAYMRCQCVOK-XLKFXECMSA-N 371.275 3.815 0 1 FHAF CCNCCC(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587859266 URVXDZFDKGWIOH-UHFFFAOYSA-N 356.253 3.895 0 1 FHAF O=C(CCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CC1 587602604 KDVSDJGPVKUGCZ-HKUYNNGSSA-N 352.386 3.872 0 1 FHAF CC[C@H](C(=O)OC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812370 YTSZTCZYXQQDDU-YRXQGLPXSA-N 358.251 3.537 0 1 FHAF C[C@]1(c2sccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615579 YPNIQOFEYJPJGZ-KXBFYZLASA-N 353.399 3.913 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCn3ccnc3)c1)O2 587390239 LLJHERODMRLHMN-HXUWFJFHSA-N 363.417 3.559 0 1 FHAF CCOC(=O)c1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587154098 CVBMZYJRRSLUJW-HXUWFJFHSA-N 367.380 3.670 0 1 FHAF CCc1oc2ccccc2c1[C@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963468954 JFEAADYJJAUWLE-YWZLYKJASA-N 351.402 3.698 0 1 FHAF CCn1ccnc1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962960359 TXDNYDIEWCCZRM-INIZCTEOSA-N 365.399 3.663 0 1 FHAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(C)c(C(=O)c2ccccc2)c1F 1772656034 OJCZUXUECLPSTI-RHSMWYFYSA-N 356.441 3.670 0 1 FHAF Cc1c(C(=O)c2ccc(F)cc2)c2ccccc2n1CCN1CCOCC1 13820994 JBOYTZZFBFXRRQ-UHFFFAOYSA-N 366.436 3.652 0 1 FHAF COc1ccc([C@@H]2CC(=O)[C@@H]3C(=Nc4ncnn4[C@@H]3c3ccccc3)C2)cc1 169686747 LBQJZEHXATVNNM-ORYQWCPZSA-N 372.428 3.725 0 1 FHAF CNc1nc(Nc2ccc(-c3nc(C)no3)cc2Cl)ncc1Cl 169704353 YMZNGXXKQPBMSE-UHFFFAOYSA-N 351.197 3.927 0 1 FHAF CNC(=O)[C@@H](CCCCCCC(=O)Nc1ccc2ccccc2c1)N=O 169724763 SGEJUQOOLDRWCI-GOSISDBHSA-N 355.438 4.000 0 1 FHAF CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 1772572865 WDFAZLUMAXOURM-AWEZNQCLSA-N 363.465 3.915 0 1 FHAF CCCCO[C@H]1CCC[C@H](C)OC(=O)c2c(O)cc(O)cc2CC(=O)C1 2356323085 HUNPRLTYJQUZDJ-GUYCJALGSA-N 364.438 3.514 0 1 FHAF CC1CCC(C(=O)N[C@@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C(C)C)CC1 3895678 QKQYGRICRFJSOM-AVNWVOMWSA-N 350.547 3.894 0 1 FHAF COC(=O)[C@@H]1CC[C@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCc1ccoc1 2356396410 KAQREUHMTOCSOV-WLKXKRCBSA-N 358.434 3.681 0 1 FHAF CN(C)[C@H]1CC[C@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 101515903 XUFLBSMTYMFOQH-BETUJISGSA-N 370.888 3.958 0 1 FHAF COc1cc([C@@H]2CN=C(c3ccc4ccn(C)c4c3)O2)cc(OC)c1OC 27523303 LXZGOXXECDFFQU-IBGZPJMESA-N 366.417 3.722 0 1 FHAF CC[C@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 29474497 KRRDPQUROQJNSW-KKPKCPPISA-N 353.506 3.979 0 1 FHAF Brc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1 36434271 NFRPHQQIEMLXRO-UHFFFAOYSA-N 358.195 3.907 0 1 FHAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC[C@H](C)C3)c(Cl)c21 1911581439 ZJHNLQLEEPKVTF-JTQLQIEISA-N 366.820 3.748 0 1 FHAF Fc1ccc(-c2[nH]cc(CCCN3CCNCC3)c2-c2ccncc2)cc1 43012167 ALYGNJLYDRVUFC-UHFFFAOYSA-N 364.468 3.721 0 1 FHAF C[C@H](F)COc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1 40431325 FOLIPIJUUQURLN-LBPRGKRZSA-N 368.836 3.968 0 1 FHAF CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCOC 82188730 YZXIOQLRIFSVSE-OAHLLOKOSA-N 353.470 3.641 0 1 FHAF Cc1ccc(C(=C2[C@H]3C=C[C@@H]2[C@@H]2C(=O)NC(=O)[C@@H]32)c2ccc(C)cc2)cc1 136029663 ACTMDNIAXPEGIL-UDKICSLYSA-N 355.437 3.810 0 1 FHAF O=C(O[C@@H]1C[C@H]2C[C@H]1C[C@H]2n1cnc2c(Cl)ncnc21)c1ccccc1 299816668 LFNDXIWNKYRRHL-LXTVHRRPSA-N 368.824 3.676 0 1 FHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587928224 YOTDNRZEURCAJR-JTQLQIEISA-N 366.343 3.882 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc(Br)c1O)O2 587385040 LJGYXMBQHKHDCL-AWEZNQCLSA-N 366.186 3.891 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)co2)N1 587829032 PUXVWNBFXYWWMA-ZKANADHPSA-N 368.202 3.677 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 587042208 JOUOKCSZBMYXKW-QMMMGPOBSA-N 359.282 3.885 0 1 FHAF O=C(O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586996136 SBIQOEYXOKWYPL-UHFFFAOYSA-N 360.211 3.678 0 1 FHAF CC(C)c1nn(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583021 SSNSSASKHDXXNZ-LAUBAEHRSA-N 364.401 3.952 0 1 FHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C(C)(C)C)nc3[nH]1)C2 587246008 CKBYTEQHEKRTKI-NRFANRHFSA-N 350.466 3.607 0 1 FHAF CC(=O)NC1(c2nc3ccc(Br)c(O)c3[nH]2)CCC(C)CC1 587233855 FJLMJKCUIVLGQQ-UHFFFAOYSA-N 366.259 3.573 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(N)cc1)CC2=O 587472765 MQIPZWPEEHCBEV-OAQYLSRUSA-N 369.417 3.652 0 1 FHAF CC(C)COC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592384 GWJBSOYVNOAOPA-GHTZIAJQSA-N 370.401 3.702 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(NC(C)=O)c1 587870542 LWICBPPDXOOWMV-UHFFFAOYSA-N 367.380 3.735 0 1 FHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1cccc(Cl)c1 587649650 RTAQMIDUCIPUTN-UHFFFAOYSA-N 362.838 3.786 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CC=Cn3ccnc32)[C@H]1c1ccc(F)cc1 587339004 PJLJCTZKCPMGOG-RXVVDRJESA-N 362.360 3.857 0 1 FHAF COc1cccc(-c2c(CC(=O)C(=O)O)cnc3c2oc2ccccc23)c1 587365205 FTQHIGCZCGKOMK-UHFFFAOYSA-N 361.353 3.853 0 1 FHAF COc1ccc2c(c1OC)[C@]1(CCCc3ccc(CN)cc31)N(C)[C@H](C)C2 962565526 HQAMSWKXIGWPHL-IQMFZBJNSA-N 366.505 3.619 0 1 FHAF CC(C)c1nn(C)c2c1[C@](C)(c1ccc(Oc3cnccn3)cc1)NCC2 962912645 ADEJYPBYIKZIIC-NRFANRHFSA-N 363.465 3.535 0 1 FHAF O=C1[C@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(F)cc1 1772598223 KOQYBHVHTCKDIZ-OAQYLSRUSA-N 368.452 3.512 0 1 FHAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(CO)C(C(=O)O)=CCC[C@@H]21)CC(=O)O 13402945 UIELZYUKDVTYNW-KIJMYCCXSA-N 352.471 3.713 0 1 FHAF N=c1c2cnn(-c3ccccc3)c2ncn1-c1ccc(C(F)(F)F)s1 169308779 LHMHPOOJPRBAEG-UHFFFAOYSA-N 361.352 3.771 0 1 FHAF COc1ccc(NC(=O)[C@@H]2C(C)=Nc3[nH]ncc3[C@H]2c2ccco2)cc1 169724242 XGLRBTZMZXTUSP-SJORKVTESA-N 350.378 3.504 0 1 FHAF Cc1ccc(CNC(=O)O[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)o1 205712074 XPWFCGFDLLRTIT-CNTRQJEFSA-N 374.481 3.774 0 3 FHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCCOC 4214577 GTGWTYIHHBATTK-IAGOWNOFSA-N 352.500 3.915 0 1 FHAF CCSC1=C(C(=O)OCc2ccccc2)N2C(=O)[C@H](C(C)C)[C@H]2S1 26384903 MXLBKJHNBMHYBA-XJKSGUPXSA-N 363.504 3.839 0 1 FHAF CC1=C(C(=O)N[C@@H](C)c2cccc(N3CCOCC3)c2)Cc2ccccc21 26727887 MZVVYAHOHRHRRN-KRWDZBQOSA-N 362.473 3.730 0 1 FHAF COC(=O)[C@@H]1Cc2c3n(c4ccccc24)C(=O)CC[C@H]3N1Cc1ccccc1 27638179 HIZDIZAXVJCWFM-UXHICEINSA-N 374.440 3.716 0 1 FHAF C[C@H]1CC[C@@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@@H]2C1 28527059 USIJTWGGTVYMGF-WMQCIHAUSA-N 365.521 3.889 0 1 FHAF O=C1NC(=O)[C@H](Cc2ccc(C(=O)CCCc3ccccc3)cc2)S1 29485742 ROJISBLDGFSQQS-SFHVURJKSA-N 353.443 3.786 0 1 FHAF CCOC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 49033341 OOTODNOGRPZZSE-SJPCQFCGSA-N 351.512 3.705 0 1 FHAF Cc1ccc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@@H]3CCCC[C@@H]32)cn1 71317262 MGJMAZRUTZKUAL-RZUBCFFCSA-N 350.462 3.683 0 1 FHAF in-vivo NC(=O)c1ccc(Oc2ccc(CN3CCC[C@@H]3c3cccnc3)cc2)nc1 73168700 WWTONVSYAJGFBT-HXUWFJFHSA-N 374.444 3.705 0 1 FHAF C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCC1=CCCCC1 82082988 JVGCABOUBFGVQS-CYBMUJFWSA-N 373.478 3.528 0 1 FHAF c1nc2cc(-c3nnc(CCc4ccc5c(c4)OCO5)s3)ccc2[nH]1 96283011 PURGSYUYGRNYOZ-UHFFFAOYSA-N 350.403 3.595 0 1 FHAF C[C@@H]1CC[C@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@H]2C1 253640066 USIJTWGGTVYMGF-JRGCBEDISA-N 365.521 3.889 0 1 FHAF NC[C@H]1CC[C@H](Nc2cncc(-c3ccc4oc(C(=O)O)cc4c3)n2)CC1 261102347 GQGBNSOWWUUWLC-NNUKFRKNSA-N 366.421 3.517 0 1 FHAF O=Cc1ccc(OCc2occc2-c2nc3nc(Cl)c[nH]c-3n2)cc1 586900507 KRRZNONOBJQEOZ-UHFFFAOYSA-N 354.753 3.609 0 1 FHAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc3c(cc2[nH]1)OCCO3 587027021 LZSPSKNVMVLOSY-UHFFFAOYSA-N 353.403 3.950 0 1 FHAF COc1cc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1C 587093016 CQNNYSVDMXDMKC-OAHLLOKOSA-N 371.384 3.637 0 1 FHAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(Br)c(F)c2[nH]1 587094337 PWPIDDMVWKJUJX-YFKPBYRVSA-N 368.128 3.594 0 1 FHAF OC1(c2nc3cc(C(F)(F)F)ncc3[nH]2)CCC(C(F)(F)F)CC1 587126490 KSBQSJPEUTUVKV-UHFFFAOYSA-N 353.266 3.917 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc2c1 587163626 NHRZPKJOMWSOIW-MRXNPFEDSA-N 361.804 3.793 0 1 FHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(Br)ccnc2[nH]1 587174032 CPBNWCAYRVSPDD-LBPRGKRZSA-N 374.217 3.583 0 1 FHAF COC(=O)C1(C)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346865 CCXYIEGBWLLVHD-RPCJCACASA-N 370.376 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(F)n1)O2 587385574 DORZUVSNYCUAKR-ZDUSSCGKSA-N 351.175 3.580 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(N)sc3c1CCC3)(C1CC1)O2 587415753 WPUUTORBMSGOFJ-HXUWFJFHSA-N 354.475 3.980 0 1 FHAF COCC[C@@]1(Cc2cccc(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427159 HEEHAHMORUKNPZ-UTKZUKDTSA-N 356.393 3.600 0 1 FHAF CCOC(=O)[C@@H](C)[C@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448752 BXFAZVXOBQELPU-GIQGCJHYSA-N 372.442 3.599 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)nc4sccn14)[C@@H](C2)C3=O 587449984 CTCUVUYEBORUFZ-DYZYQPBXSA-N 360.822 3.721 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(C(=O)OCC)[nH]1)CC2=O 587481799 IHYUWPLAIJQERU-QGZVFWFLSA-N 357.406 3.864 0 1 FHAF CCn1nc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583671 WMWMLTXRROFLOV-PXNSSMCTSA-N 350.374 3.620 0 1 FHAF C[C@]1(CN2CCCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592660 IIDQYMPJOMGPHP-SIKLNZKXSA-N 367.445 3.989 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)nc2)N1 587703768 HJJPYJZFEDPZEC-CPFSXVBKSA-N 356.626 3.655 0 1 FHAF CC(=O)NC(C)(C)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587752179 CMJRWNYUNPMDOO-BMLIUANNSA-N 371.294 3.642 0 1 FHAF CCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587763490 JMXMMZLAVOQDGV-FVMDXXJSSA-N 352.251 3.737 0 1 FHAF COc1ncccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587769437 GDXJAYCOKCPDOD-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF Cc1cc(Br)c2[nH]c(CC(=O)OCc3ccccc3)nc2c1 587780965 ALMFETDZSJKVTB-UHFFFAOYSA-N 359.223 3.920 0 1 FHAF CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1O 587937480 RYZOWWIPSDIHMI-UHFFFAOYSA-N 355.232 3.872 0 1 FHAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(CCc3ccccc32)N1 962707694 PYODMQULZYKIBU-AEFFLSMTSA-N 365.326 3.633 0 1 FHAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(CCc3ccccc32)N1 962707704 PYODMQULZYKIBU-WMZOPIPTSA-N 365.326 3.633 0 1 FHAF COc1cc(C(=O)N[C@@H](C)c2c(F)cccc2F)ccc1-c1cn[nH]c1 1772593232 WSXKSMSBOLIXMK-NSHDSACASA-N 357.360 3.855 0 1 FHAF O[C@]1(Cc2cc(-c3cn[nH]c3)on2)CC[C@H](Cc2ccc(F)cc2)CC1 1772607865 OCOUQAJDGFNHSQ-GSXCWMCISA-N 355.413 3.910 0 1 FHAF CC(=O)N1c2ccccc2N(Cc2ccccc2C(=O)O)C[C@@H]1C1CC1 1857639698 PPKDQAUERJXIAY-HXUWFJFHSA-N 350.418 3.537 0 1 FHAF COc1ccc(-c2nc3cnc(Nc4cccnc4)cc3n2C)cc1OC 74388427 NLXPLNXTHAPMOH-UHFFFAOYSA-N 361.405 3.791 0 3 FHAF CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2ccc(Cl)c(N)c2)C1 3273304 QGYKVZQSMOLYSL-DJJJIMSYSA-N 364.873 3.506 0 1 FHAF CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 4894467 PMPIQEYAOKVCRV-IFXJQAMLSA-N 370.880 3.994 0 1 FHAF COc1ccccc1CNC(=O)c1c2c(nn1C)-c1ccccc1SC2 6738706 MODZIJUACRFRHQ-UHFFFAOYSA-N 365.458 3.631 0 1 FHAF COc1ccc(C2=NNC(=O)[C@@H]3CCCC[C@@H]23)c2c1OC1(CCCC1)C2 13474144 JFIPQLSQEHFZKL-UKRRQHHQSA-N 354.450 3.583 0 1 FHAF O[C@H](COc1ccccc1[C@@H](O)CCc1ccccc1)CN1CCCCC1 13529031 FZGNNKKEFBVGIM-UNMCSNQZSA-N 369.505 3.578 0 1 FHAF O=S(=O)(Nc1ccc2ccccc2c1)c1ccc2c(c1)CN[C@H](CF)C2 13581918 HYQXVQXNLSTYDD-IBGZPJMESA-N 370.449 3.624 0 1 FHAF Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C[C@@]12O 14615433 AFPPVJHFFGBKOB-ADDAZVEVSA-N 372.461 3.695 0 1 FHAF endogenous,in-man Cc1cccc(Nc2ncnc3cc(NCCCn4ccnc4)ncc23)c1 21289235 OKJBKEUQKDDCKF-UHFFFAOYSA-N 359.437 3.776 0 1 FHAF O[C@@H]1CCN(Cc2ccccc2)C[C@H]1N1CCC(c2ccccc2)CC1 22940514 LZBZIQZKGCPNJP-DHIUTWEWSA-N 350.506 3.501 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@@H](c3ccc(C)c(C)c3)CN1CC2 28821840 CQWXMPWVHXTPMA-NJYVYQBISA-N 366.505 3.735 0 1 FHAF Cc1ccc(S(=O)(=O)N(CC(C)C)c2cc(Cl)ccc2CO)cc1 28823145 ZWTXLFQWYYTSCN-UHFFFAOYSA-N 367.898 3.992 0 1 FHAF CC1(C)C=Cc2c(c(O)cc3c2OC[C@@H](c2cc4c(cc2O)OCO4)C3)O1 32204445 HBYGTSDXCJSMRY-LBPRGKRZSA-N 368.385 3.729 0 1 FHAF biogenic COC(=O)c1cccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)c1 40395309 BYHCCXQYMAZSPI-UHFFFAOYSA-N 368.414 3.750 0 1 FHAF CCC(=O)NCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 66102604 VAZGASXHWZKPIU-UHFFFAOYSA-N 351.372 3.796 0 1 FHAF COc1cc(Cl)ccc1O[C@@H](c1cccc(F)c1)[C@H]1CNCCO1 89465238 SGXWOKUJCWMPJE-MSOLQXFVSA-N 351.805 3.596 0 1 FHAF in-vitro Fc1cc(-c2nc3c(c(N4CCOCC4)n2)CCS3)c(F)cc1Cl 95576217 GHOPAHKQKCMYHB-UHFFFAOYSA-N 369.824 3.560 0 1 FHAF NC(=O)c1sc(-c2ccccc2)cc1NC(=O)NCc1ccccc1 96258283 RESGNQLZGZYULD-UHFFFAOYSA-N 351.431 3.836 0 1 FHAF COc1ccc(-c2cc3c4c(cccc4c2)C(=O)N(CCN(C)C)C3=O)cc1 96939897 CYIFXBMRTIRZOA-UHFFFAOYSA-N 374.440 3.673 0 1 FHAF N=C(N)Nc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1 169330104 BADHUMKELOEAQZ-UHFFFAOYSA-N 355.785 3.553 0 1 FHAF COC(=O)[C@@H]1[C@@H](c2ccc(Cl)c(Br)c2)C[C@@H]2CC[C@@H]1N2C 169349697 CLDUXOXUODATIA-IDTSFGKNSA-N 372.690 3.842 0 1 FHAF COc1ccc(NC(=O)[C@@H]2C(C)=Nc3[nH]ncc3[C@@H]2c2ccco2)cc1 169724240 XGLRBTZMZXTUSP-IAGOWNOFSA-N 350.378 3.504 0 1 FHAF O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)c(Cl)n12 203691877 WLTOANPSAPMNSM-UHFFFAOYSA-N 369.783 3.857 0 1 FHAF CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CC(=O)O)CC1 204189496 JUTCENALRFKHNY-UHFFFAOYSA-N 366.505 3.929 0 1 FHAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2ccccc2c1 218929543 RWMBAUYJWJJCMH-UHFFFAOYSA-N 369.380 3.935 0 1 FHAF Cc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1C 586919931 ARSRRKPPSFCWKL-UHFFFAOYSA-N 354.475 3.685 0 1 FHAF O=C(c1ccccc1)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 586924543 RVDQGBNPLZLBCQ-UHFFFAOYSA-N 368.458 3.651 0 1 FHAF CSc1ccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2c1 586940823 HBDJWIBWYYTTDK-KTKRTIGZSA-N 373.503 3.684 0 1 FHAF Fc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc(N2CCCC2)n1 587177750 XNNOABFAERFTOT-UHFFFAOYSA-N 354.385 3.526 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CC3CCN(CC3)C2)[C@H]1c1ccc(F)cc1 587344816 HKGGCMSZLHDMQB-RBBKRZOGSA-N 367.420 3.745 0 1 FHAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3OCCC[C@H]32)[C@H]1c1ccc(F)cc1 587355520 DQMDIBYQTWADIY-SAJDGTNDSA-N 354.377 3.828 0 1 FHAF COC(=O)CC[C@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440636 AEYNFRFCUZBLBG-VGOFRKELSA-N 366.413 3.600 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)cc1C=O)CC2=O 587476282 AMUGHVCKEMSLAK-IBGZPJMESA-N 368.385 3.650 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3[nH]nc(OC)c3c1)CC2=O 587481829 HWKRUHMHRBCKRB-GOSISDBHSA-N 352.390 3.936 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(O)c1 587611799 UFKKXWKDEDXGRB-FXAWDEMLSA-N 350.326 3.506 0 1 FHAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(OCCN(C)C)cc2[nH]1 587930855 PYZXOLPPQQMYLV-VGOFRKELSA-N 365.477 3.957 0 1 FHAF C[C@]1(Cc2ccccc2F)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962961421 GQUKBWWPHMGDBG-KBXCAEBGSA-N 369.770 3.814 0 1 FHAF CSC=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@H]2C1 2356641180 HFJJFBMNBYVNKQ-RIIQHSRYSA-N 350.480 3.863 0 1 FHAF N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ncccn2)n1 61928496 QDLHEEAZUAHRDY-LBPRGKRZSA-N 365.384 3.938 0 3 FHAF CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cc(C)on1)OCO3 795105 XXLKWSHUBUSAPU-UHFFFAOYSA-N 371.418 3.553 0 3 FHAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1C(=COC)C(=O)OC 2356369927 VAMJZLUOKJRHOW-XLIONFOSSA-N 366.461 3.737 0 1 FHAF Cn1c(O)c(C2=NO[C@H](c3ccc(Cl)cc3)C2)c(=O)c2ccccc21 3846533 ZEZGJCLIACWNGH-INIZCTEOSA-N 354.793 3.763 0 1 FHAF biogenic C[C@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 58546666 WQUYUZJNAIWNRJ-CUKLEFKTSA-N 364.526 3.698 0 1 FHAF CN(C)CCNC(=O)c1cccc2ccc(-c3ccccc3Cl)nc12 27324203 JJLMYKLWCCKPSC-UHFFFAOYSA-N 353.853 3.847 0 1 FHAF N[C@@H](C[C@H](CCCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O 27876868 IRPMNASLBARATA-ICSRJNTNSA-N 369.461 3.882 0 1 FHAF c1ccc(C2=NO[C@H](c3c[nH]c4ccccc34)[C@@H]2CN2CCOCC2)cc1 103287894 PDFYKKURFMOUES-DENIHFKCSA-N 361.445 3.592 0 1 FHAF COc1cc2c(cc1O)[C@H](OC)[C@H](c1ccc(OC)c(OC)c1)OCCC2 2356637498 USIOMUGEPCOIHU-SFTDATJTSA-N 374.433 3.810 0 1 FHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@H](CC5=CN[C@@H](N)C=C5)C4)(C[C@@H](N)[C@H]31)O2 2356830109 JEKGBBHCTUXREV-KCQFRJDASA-N 371.569 3.576 0 1 FHAF CC(C)(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1 15673291 HLVXSDLZJUOENM-HOTGVXAUSA-N 373.472 3.554 0 1 FHAF biogenic Cn1[nH]c2c(c1=O)[C@H](c1ccc(F)cc1)O[C@H](CCc1ccccc1)C2 72137903 YQXOLEMIKNPYMI-XLIONFOSSA-N 352.409 3.516 0 3 FHAF CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1 82141936 VCPWFAXQOTWFRD-HOTGVXAUSA-N 370.497 3.947 0 1 FHAF O=C(Nc1ccccc1O)[C@H]1CCc2ccccc2N1C(=O)c1ccccc1 653831277 BDARIUZRLFZZGM-HXUWFJFHSA-N 372.424 3.993 0 1 FHAF Cc1c(F)ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587193954 JVUWHPZSGLMGMP-AWEZNQCLSA-N 350.438 3.528 0 1 FHAF CC(=O)OC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592233 FZBDMXXKNXEURP-UWJYYQICSA-N 370.401 3.702 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(CC(=O)O)c3ccccc13)O2 587392254 YBOPDWUVWHSEPS-GOSISDBHSA-N 364.401 3.631 0 1 FHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)ccc(C)c3[nH]2)cc1 586938057 IKILLCPYRWRIRN-CQSZACIVSA-N 357.479 3.924 0 1 FHAF C=C1C=C(C(F)F)N2N=C(C(=O)c3coc4ccc(Cl)cc34)NC2=N1 587277810 DGUBUPXPIKWVLC-UHFFFAOYSA-N 362.723 3.520 0 1 FHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5cn[nH]c5cc4[nH]3)cc2N1 587122163 AJUIBNBDPDMIFF-FUXBKTLASA-N 361.331 3.610 0 1 FHAF COc1cc(C)ccc1OCc1nc2c(C)c(Br)cnc2[nH]1 587564235 PDVKALXAKMOHMG-UHFFFAOYSA-N 362.227 3.925 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cnn[nH]1)CC2=O 587467781 RVTDQSJKIWHMBS-FQEVSTJZSA-N 367.380 3.511 0 1 FHAF COc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cn1 587017641 OBCZFVBQDLUDSN-UHFFFAOYSA-N 350.403 3.692 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(C2CC2)N1 587825820 FPLXHKWBSJYLBD-FVMDXXJSSA-N 356.235 3.593 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@H](C1)N3C(=O)OC(C)(C)C)O2 587399672 MQSXGNJRONMTST-UDQVXKKJSA-N 372.465 3.843 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(Cl)ccnc2[nH]1 587044038 XSODAXYPGRFGON-LLVKDONJSA-N 365.245 3.920 0 1 FHAF COCc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587615011 UTIXFISIGCEKMQ-VQIMIIECSA-N 369.398 3.698 0 1 FHAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232169 MHLFJCMUMPUBKV-LJQANCHMSA-N 361.405 3.836 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CCC[C@H](C2)N3C)N1 587770794 RBRQMXBLOROKDC-UDGQRLMISA-N 367.306 3.964 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc(Br)ccc31)O2 587371563 KTOONDFGHYJDKU-SFHVURJKSA-N 374.234 3.983 0 1 FHAF Cc1cnn(CCF)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587714039 FJPDSYSGXVUYBX-MEBBXXQBSA-N 370.241 3.686 0 1 FHAF COC(=O)c1cc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2cc1OC 587149777 BCYLPYCNODMSQG-QWRGUYRKSA-N 358.344 3.907 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H]2CCCCN2)N1 587799079 WCEDGJNHJTUTSQ-NDGTYSDOSA-N 355.295 3.870 0 1 FHAF CCCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587443728 XGEKPUCVHFKXLZ-QVKFZJNVSA-N 354.402 3.981 0 1 FHAF CC(C)[C@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583711 WYSYRYJUSNXEPN-NQIIRXRSSA-N 364.401 3.645 0 1 FHAF Cc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587341833 XWUIRYSOBOFBMK-FPOVZHCZSA-N 364.376 3.904 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cc1O)[C@@H](C2)C3=O 587423343 XIJCAWXTJUEESR-SJCJKPOMSA-N 350.292 3.908 0 1 FHAF C/C(N)=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587705409 MIKOOKFELDBLRJ-WBXRYDMSSA-N 367.184 3.743 0 1 FHAF O=C(Nc1ccccc1)[C@@H]1CC=C[C@@H]2CCN(C3CCCCC3)C(=O)[C@@H]21 12479233 YXQGHHAKOAZJQE-AHRSYUTCSA-N 352.478 3.999 0 3 FHAF C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CC[C@H]2C)cc1 13642957 RFPKDRLIUJAMFY-OLZOCXBDSA-N 352.438 3.545 0 1 FHAF O[C@H](CCCCCc1ccccc1)[C@@H](O)c1ncc(-c2ccccn2)o1 14980152 XZUPDMGYFHCFFH-UYAOXDASSA-N 352.434 3.934 0 1 FHAF CC1(C)CC(=O)[C@@H]2C(=Nc3nc(S)nc(O)c3[C@@H]2c2ccccc2)C1 18066588 SQFPTTKYEMJDTN-KGLIPLIRSA-N 353.447 3.694 0 1 FHAF CC(C)Oc1ccc(F)c(-c2c[nH]c3ccc(-c4nnc(N)o4)nc23)c1 204778009 USPNCTNCYQFTGT-UHFFFAOYSA-N 353.357 3.788 0 1 FHAF CC=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@@H](C)C(=O)CC 2356327581 DNIXQXLXMAQDFP-DBTAMFAMSA-N 366.542 3.815 0 1 FHAF O=C(c1cncc(Oc2ccccc2)c1)N1CCCN(C2CCC2)CC1 53293856 HUILBBZJFPPXMQ-UHFFFAOYSA-N 351.450 3.574 0 1 FHAF CSc1ncc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 28713605 MHDUPGXZSYTUOS-UHFFFAOYSA-N 362.451 3.804 0 1 FHAF CCCNC(=O)c1cc([C@H]2CCCCN2C(=O)CCc2ccccc2)on1 61928173 XLCFHWSFBYFZLZ-GOSISDBHSA-N 369.465 3.501 0 3 FHAF C[C@@H](O)[C@@H](C)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103817 FDCZUAWLCBAHKC-ZOCZFRKYSA-N 373.928 3.648 0 1 FHAF COc1ccc(-c2nc(CN[C@H]3CCN(Cc4ccccc4)C3)co2)cc1 72182672 SVAFDQPTUSVTQB-IBGZPJMESA-N 363.461 3.714 0 1 FHAF CCOC(=O)C1(c2ccccc2)CCN(CCCC[C@H]2CCCO2)CC1 31622352 KYEXKNZXSZSPFG-FQEVSTJZSA-N 359.510 3.933 0 1 FHAF in-vivo COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1C(C)(C)CCC[C@@]1(O)C2 14758667 GNVMHDPNRQZLBQ-LHSJRXKWSA-N 362.466 3.916 0 1 FHAF biogenic COc1cc(F)ccc1-c1ccnc2[nH]c([C@H]3CNC(C)(C)CO3)cc12 226060082 LJTCEIDKCOIXBP-GOSISDBHSA-N 355.413 3.817 0 1 FHAF COC(=O)Nc1cc(Nc2ncnc3cc(OC)c(OC)cc23)ccc1C 84633130 ZQHKLPSJKXUYOU-UHFFFAOYSA-N 368.393 3.877 0 1 FHAF COc1cc(C(=O)NCc2ccc(F)cc2Cl)ccc1-c1cn[nH]c1 221710115 ICHFSXPUXZFBPH-UHFFFAOYSA-N 359.788 3.808 0 1 FHAF CCCS(=O)(=O)CCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2 141824186 SIPHFNMNWJYHIT-YADHBBJMSA-N 371.546 3.654 0 1 FHAF CC(=O)O[C@H]1[C@@H](O)[C@@]2(C)CC(=O)[C@@H]3C(C)=CC[C@@H]4[C@@H](C)CC[C@H]1[C@@]4(C)[C@H]32 238772610 DEBYSYMWXZYFMT-SVBUJSASSA-N 360.494 3.523 0 1 FHAF COc1ccc(C(=O)c2cc(Br)c(OC)cc2OC)cc1 261181142 WDZAHOHGTVVNMD-UHFFFAOYSA-N 351.196 3.706 0 1 FHAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1nccs1)CC2=O 587493704 GCXGLQUELZDCQP-QIBOZCLASA-N 358.463 3.737 0 1 FHAF COC(=O)C12CC([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)(C1)C2 587808199 NPEBYTAXPIIWDW-PCPDBVAHSA-N 368.246 3.507 0 1 FHAF O=C(NCc1ccco1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660604 QFSDDOMUNGTISU-UHFFFAOYSA-N 363.348 3.554 0 1 FHAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 586885868 DLFSZAFYZAYCGM-MGPUTAFESA-N 353.466 3.649 0 1 FHAF C[C@@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)N(C)C 587192323 TYUNLVYGKNQCNR-ZETCQYMHSA-N 366.181 3.717 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1nc(C)cc1C 587871467 IFHANPCIMURUEL-UHFFFAOYSA-N 356.401 3.632 0 1 FHAF CCn1nc(CC[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587432508 PUPFSTBRSGRHSJ-QFBILLFUSA-N 362.429 3.814 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(NC(=O)OC(C)(C)C)CCCC1)O2 587385703 FADBHIKDPKYUJW-MRXNPFEDSA-N 360.454 3.749 0 1 FHAF Nc1ccc(-c2nc3cncc(Br)c3[nH]2)c(C(F)(F)F)c1 587095223 BNNCVCRXICWIJX-UHFFFAOYSA-N 357.133 3.988 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)nc2)N1 587739442 BFIVDOZTZPVFRC-QGHHPUGFSA-N 364.262 3.673 0 1 FHAF COc1cc(OC)c2nc(-c3ccc(F)c(Br)n3)[nH]c2c1 587155815 STBMBWDXHHCERU-UHFFFAOYSA-N 352.163 3.544 0 1 FHAF CC(C)Oc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1Br 586960650 XGMWTBJVXKJMLK-OAQYLSRUSA-N 371.300 3.771 0 1 FHAF Cc1ccc([C@@]2(c3ccccc3)NCCc3nc4ccccn4c32)c(N)c1 962983739 MKKDZDXRWICOBV-HSZRJFAPSA-N 354.457 3.663 0 1 FHAF O=S1(=O)N[C@H](c2ccccc2)C[C@H](c2ccc(C(F)(F)F)cc2)O1 12473220 XTWXAAQMSZKKJL-LSDHHAIUSA-N 357.353 3.743 0 3 FHAF CCNC(=O)CC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13610505 URJNNBRPTNLVMU-ZLOUPJAZSA-N 371.521 3.752 0 1 FHAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-n1cnc2ccccc21 205446471 JODANXPMAYSDGT-UHFFFAOYSA-N 361.405 3.512 0 1 FHAF CCOC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)nc1N 607312 XDXBVMDLPJYPCH-UHFFFAOYSA-N 354.332 3.863 0 1 FHAF CCOC(=O)c1ncn2c1Cc1cnc(C(C)C)nc1-c1cc(F)ccc1-2 1486035 XDMOVRKAINVBDT-UHFFFAOYSA-N 366.396 3.673 0 1 FHAF C[C@@H]1OC2(C[C@H](OCc3ccccc3)[C@H]1OCc1ccccc1)OCCO2 1856331 CYNNHJZSXYWLJA-YYWHXJBOSA-N 370.445 3.667 0 1 FHAF Cc1ccccc1CSc1nc2cc(F)c(N3CCNCC3)cc2[nH]1 29048426 QKDZLJBIJIMGBS-UHFFFAOYSA-N 356.470 3.712 0 1 FHAF O=C(Nc1ccccn1)[C@H]1C(=O)N2c3ccccc3CCc3cccc1c32 26167652 SSIMOCKFTGOIMR-IBGZPJMESA-N 355.397 3.581 0 1 FHAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@]3(C)CC[C@H]4C[C@@]3(CC[C@@]12C)C[C@]4(O)CO 2356441685 BADRGIKXWOSHML-WJONBXBPSA-N 364.526 3.988 0 1 FHAF COc1ccc2c(c1)[C@@H](NCCN1[C@@H](C)CC[C@H]1C)c1cccnc1CO2 26830902 WOQWGJMYJPOTGT-DMPWYTOCSA-N 367.493 3.534 0 1 FHAF CCC(CC)c1cc([C@@H]2CN3CC[C@H]2C[C@@H]3CN)nc(-c2ccncc2)n1 2356817123 DHSUFIFRCXENTO-IPMKNSEASA-N 365.525 3.579 0 1 FHAF Cc1ccc2[nH]c(=O)c(CN(CCC(C)C)C(=O)c3ccccn3)cc2c1 66136234 TVZMUSACDXNQQZ-UHFFFAOYSA-N 363.461 3.920 0 1 FHAF C[C@H]1C/C=C/CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 70462963 MAIXLHSZNVDUIV-TZNOJPMFSA-N 352.814 3.928 0 1 FHAF CN(C)c1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1 34216069 SZVMEKQJLKSPKX-UHFFFAOYSA-N 358.449 3.611 0 1 FHAF COc1c2ccoc2nc2c(OC)c(OC/C=C(/C)COC(C)=O)ccc12 214590161 GMJWTAMJJUJKEN-GHXNOFRVSA-N 371.389 3.886 0 1 FHAF OC[C@@H]1CCCCN1c1cc(-c2ccccn2)nc(Nc2ccccc2)n1 230560489 AQSAUJOSPVHKGC-KRWDZBQOSA-N 361.449 3.633 0 1 FHAF CCOC(=O)[C@H]1Nc2ccccc2Sn2c(Br)ccc21 96908741 CIXLLWRCEKSSRG-ZDUSSCGKSA-N 353.241 3.836 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 253654777 FHWOSRUUSHMKKA-WRPWXNSMSA-N 356.466 3.595 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1OC 653822855 WHNSPBKCWAIAAI-ULQDDVLXSA-N 360.431 3.541 0 1 FHAF COc1c(O)c2c(c3c1[C@H](O)COC3=O)CC[C@H]1C(C)(C)CCC[C@]21C 653708769 UVRLVSCZMVVLMW-BHVCSQLQSA-N 360.450 3.635 0 1 FHAF CC[C@]1(c2ccn(C)n2)N[C@H](C)Cc2cc(Br)c(F)cc21 587763612 KNVBNUAQGHEGPI-HWPZZCPQSA-N 352.251 3.510 0 1 FHAF CC[C@@]1(c2ccc(OC[C@@H]3CO3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587413162 QGDHQYSJMJTMBE-IERDGZPVSA-N 353.418 3.626 0 1 FHAF CC(=O)N[C@@H](Cc1nc2ccc(C(C)(C)C)nc2[nH]1)c1ccc(C)cc1 587216729 KVRAWJCHYREJOF-KRWDZBQOSA-N 350.466 3.984 0 1 FHAF COc1c(F)ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1N 587132950 LNPKAQXJTCUFKH-UHFFFAOYSA-N 371.597 3.771 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2CCO)N1 587826070 JUIAXFZBQPGNDY-CJBNDPTMSA-N 356.279 3.890 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(CC[C@H]3CC[C@H]2N3)[C@@H]1c1ccc(F)cc1 587353434 ZGPGMWQREAVGAJ-AZVUBCEASA-N 353.393 3.543 0 1 FHAF COc1cc2c3c(c1)OC1(CCN([C@H]4CCC[C@@H](C)C4)CC1)[C@@H](C2)C3=O 587434612 BRNRDIFBWBXIPB-HFTRVMKXSA-N 355.478 3.856 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3c(C)cnc3O)cc1)O2 587390263 LQSIEXJPSCHRQY-NRFANRHFSA-N 363.417 3.658 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3nccc(Br)c13)O2 587370111 BVNNNKFOEUGHDW-CQSZACIVSA-N 372.222 3.923 0 1 FHAF CC(=O)N1C[C@@H]2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3cccc1c32 587399679 MZFQTDGFTRHSAA-FPTDNZKUSA-N 362.429 3.682 0 1 FHAF Cc1cc(Br)cc2nc(CCNC(=O)Cc3ccccc3)[nH]c12 587228966 VZCQVKCRELHWLX-UHFFFAOYSA-N 372.266 3.535 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccn2C(F)F)N1 587719386 QNNCPYDKIFUPHT-KRTXAFLBSA-N 360.177 3.803 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nccc2cc[nH]c12 587587120 FSRRWHWJFFBAJC-IERDGZPVSA-N 358.353 3.971 0 1 FHAF Oc1c(Br)ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 587089165 YTPOGHNJPJGLOY-ZETCQYMHSA-N 358.186 3.781 0 1 FHAF Cc1nn(C)c(C)c1-c1[nH]c2cc(Cl)c(F)cc2c1N1CCOCC1 587632418 XDWRQTGZRVJZEH-UHFFFAOYSA-N 362.836 3.814 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccnc1NC(=O)C(C)(C)C)[C@@H](C2)C3=O 587433679 UFJABFLQNDVJNS-KBXCAEBGSA-N 366.417 3.564 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](C(=O)O)CC2)N1 587830003 ZUWNFTNVHUUFEJ-RLFDGXBXSA-N 370.262 3.983 0 1 FHAF Cc1n[nH]cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349475 UVRVKFOYEJVRQM-ICSRJNTNSA-N 352.365 3.837 0 1 FHAF O=C([C@H]1Cc2ccccc2[C@](Cc2ccccn2)(C2CCC2)N1)C(F)(F)F 962728104 CGWYHHQHQCFZLF-QUCCMNQESA-N 374.406 3.965 0 1 FHAF O=c1c(O)c(-c2ccc3c(c2)OCO3)oc2ccc(Br)cc12 197162037 GOTMZDDAEAJXNR-UHFFFAOYSA-N 361.147 3.657 0 1 FHAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@H](O)CC[C@]21C 1772636861 GHEDPBNXBNIAIZ-PUXXGUNBSA-N 350.543 3.748 0 1 FHAF CCOC(=O)c1csc(-c2csc(-c3csc([C@H](C)O)n3)n2)n1 1772592302 IEUQMWGXSWGTLQ-ZETCQYMHSA-N 367.477 3.620 0 1 FHAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C 13470185 JGAGHIIOCADQOV-CTNGQTDRSA-N 351.450 3.975 0 1 FHAF in-vivo O=C1CS[C@@H](c2c(F)cccc2F)N1c1cccc(Br)n1 13492447 MGIKECCQMKAOOF-AWEZNQCLSA-N 371.206 3.901 0 1 FHAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(C(=O)O)cc3)cc2)C1=O 169720246 IEJPCOBEYSXVIR-MPBGBICISA-N 354.427 3.832 0 1 FHAF COc1ccc(NC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1OC 201448021 IIQSZUFQGCAZOV-UHFFFAOYSA-N 369.421 3.584 0 3 FHAF CCCCCN1C(=O)C/C(=C\c2cccc(C(=O)NCCCC)c2)C1=O 1857615338 ASRZAYIYBUJGIN-NBVRZTHBSA-N 356.466 3.549 0 1 FHAF O=S(=O)(Cc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(Cl)cc1 1857767658 PUROJMMOPWVYPU-UHFFFAOYSA-N 368.245 3.752 0 1 FHAF CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCCC2)[C@H]1c1cccs1 2460078 ZUMVLQBETUTGHM-ZWKOTPCHSA-N 354.475 3.671 0 1 FHAF O=c1c2cc(Br)cc(Br)c2nc2n1CCCCC2 103203347 RNMAEPHNDZMZJB-UHFFFAOYSA-N 372.060 3.648 0 1 FHAF Cc1ccc2nc3c(O)n(CCCN4C[C@@H](C)C[C@@H](C)C4)cnc-3c2c1 103591236 SRMBGNDOBPFURM-IYBDPMFKSA-N 352.482 3.918 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N2C/C=C/C[18F] 102143585 LMVDJMCDHZLBFE-HQIMTIOZSA-N 350.852 3.975 0 1 FHAF CN(C)C(=O)c1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1 61959474 VDOKGNYYPCQENB-UHFFFAOYSA-N 373.412 3.562 0 3 FHAF CN(C)[C@@H]1CCC[C@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1 63539670 VVEGARMQKNYDID-QWHCGFSZSA-N 370.888 3.958 0 1 FHAF CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CN1CCCCC1 1911573046 QEHUCLAIAOCFMY-UHFFFAOYSA-N 361.482 3.868 0 1 FHAF Clc1ccccc1Nc1ccnc(Nc2ccc(-c3nnn[nH]3)cc2)n1 89469999 GADYBZMYJCZJLX-UHFFFAOYSA-N 364.800 3.797 0 1 FHAF in-vitro O=C(Cc1ccc(Cl)cc1C(F)(F)F)N[C@H]1CCOc2ncccc21 146647365 HXFXZXFOYODVLC-AWEZNQCLSA-N 370.758 3.936 0 1 FHAF CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccc(OCC)c(OCC)c1 617966452 KNSOWTKKMJAMKF-IBOXJLQUSA-N 364.467 3.680 0 1 FHAF COc1ccc2c(c1)CC[C@H](Nc1cc(C)nc3nc(C(C)(F)F)nn13)C2 2382220813 AYSPOVSUNXRZPV-AWEZNQCLSA-N 373.407 3.522 0 1 FHAF COc1ccccc1/C=C/CN1C[C@@H]2CCC[C@H](C1)[C@@]2(O)c1cccnc1 299855831 GPOIPVRAQNIIHX-UXHHORNVSA-N 364.489 3.723 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1cc3c(ccn3C)cc1[C@@H](O)CC2 653711444 LKIRCUWACOJDGV-KRWDZBQOSA-N 353.418 3.851 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc4c1OCOC4)[C@@H](C2)C3=O 587421187 KPMMOLVBOGUDTC-DJJJIMSYSA-N 358.777 3.704 0 1 FHAF COc1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 587018802 AQQJHKSJCPDBAN-UHFFFAOYSA-N 370.459 3.933 0 1 FHAF CCCn1cnc2cc(-c3nc4cc(=N)[nH]cc4[nH]3)cc(Br)c21 587003776 MKSHZMATULMRRR-UHFFFAOYSA-N 371.242 3.560 0 1 FHAF O=C1COc2cc3nc(-c4ccc(-c5nccs5)s4)[nH]c3cc2N1 587024279 SMUQNRCKKYXUTE-UHFFFAOYSA-N 354.416 3.746 0 1 FHAF Cc1ccc2c(n1)NCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595915 PVLQDYROIZZVQB-PGRDOPGGSA-N 374.396 3.768 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCSCC3)cc1)O2 587414379 MBHVSANOZQXRKY-LJQANCHMSA-N 354.475 3.837 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)nn2)N1 587701411 BLBLGXCGSQUMKI-VXJOIVPMSA-N 370.653 3.829 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3c(n2)SCC3)N1 587854331 DIRSQBKTFYKMGT-XLKFXECMSA-N 368.275 3.514 0 1 FHAF Cc1onc(-c2nc3c[nH]c(=N)cc3[nH]2)c1COc1ccccc1Cl 587063762 VPRUUFPYWRKMBV-UHFFFAOYSA-N 355.785 3.566 0 1 FHAF COc1ccc(OC)c([C@]2(c3ccccc3)NCCc3ccc(O)cc32)c1 963351177 FKRQJJWKSVYPPR-HSZRJFAPSA-N 361.441 3.847 0 1 FHAF CCOC1=C(C)[C@]2(CC1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N21 962676531 ZNOZXDAPQMJOMO-YADHBBJMSA-N 366.461 3.633 0 1 FHAF CSc1cccc(CNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)c1 12074677 RBYOWENNSZXWTP-GOSISDBHSA-N 374.550 3.844 0 3 FHAF c1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2C2CCNCC2)cc1 1857617714 QCQCVPHNOSSIJI-UHFFFAOYSA-N 371.488 3.866 0 1 FHAF CCN1c2ncc(-c3cccc(OC)c3)cc2C(=O)N(C)c2cccnc21 5842406 MSSQVKILWUWHOS-UHFFFAOYSA-N 360.417 3.900 0 1 FHAF CCOC(=O)C[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21 13518453 GURBVOKSYBFRKD-GAWRCDSNSA-N 358.478 3.789 0 1 FHAF CCc1c(C)noc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12 13741069 DITDDKVOFHIMMO-UHFFFAOYSA-N 359.451 3.565 0 1 FHAF COC1=CC=C(C[C@@H]2NCCc3c2n(C)c2ccc(C)cc32)C[C@H]1OC 26671616 MEAYKEROHTYIJB-GHTZIAJQSA-N 352.478 3.939 0 1 FHAF COc1ccc2c(/C=C/c3ccc(OC)c(OC)c3OC)cc(=O)oc2c1 49088107 AHDQZDOVLFFCFK-AATRIKPKSA-N 368.385 3.998 0 1 FHAF O=C(O)c1cc(Cc2ccc(-c3ccccn3)cc2)c2ccccn2c1=O 68205433 YIIDWEXSVGVSEH-UHFFFAOYSA-N 356.381 3.651 0 1 FHAF CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2)n1 82214735 RNUUMMMDUWBROH-HOTGVXAUSA-N 352.482 3.718 0 1 FHAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@H]12)[C@@](C)(O)C3 95590836 OSXQLEITCURIQP-RCPGBREOSA-N 364.526 3.684 0 1 FHAF CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21 96271927 VLUXRHRHCFJTLC-QGZVFWFLSA-N 371.868 3.682 0 1 FHAF O=C1NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(O)cc2)S1 103216176 YCKUHEUPKKDIIH-YBEGLDIGSA-N 363.398 3.569 0 1 FHAF C=Cc1cc2c(cc1-c1cc3ccc(OC)c(OC)c3c(=O)[nH]1)OCO2 103278274 NVGZNTRLYBYJRF-UHFFFAOYSA-N 351.358 3.584 0 1 FHAF C[C@H](NCCOc1cc(F)ccc1Cl)c1ccccc1S(C)(=O)=O 205698213 VZJCHFUFPSXGHD-LBPRGKRZSA-N 371.861 3.612 0 1 FHAF COc1cccc(-c2cnc(O)c(-c3cc(OC)c(OC)c(OC)c3)n2)c1 299837049 OEQWBDUPGNATTH-UHFFFAOYSA-N 368.389 3.551 0 1 FHAF CC(C)(C)c1cccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12 586949729 YTCIERHDWZNFBB-UHFFFAOYSA-N 357.479 3.823 0 1 FHAF c1ccn(-c2sc3c(c2-c2nc4cc(-n5cnnn5)ccc4[nH]2)CCC3)c1 587032585 KZVNPSTZYZTXEY-UHFFFAOYSA-N 373.445 3.547 0 1 FHAF COC(=O)c1cc2nc([C@H](N)[C@@H](C)F)[nH]c2c(F)c1Nc1ccccc1 587125267 RYSDWALKPWBKIY-YMTOWFKASA-N 360.364 3.590 0 1 FHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(F)cnc(Cl)c4[nH]3)cc2N1 587126601 ZDHZRGUUGNYXMP-SVGQVSJJSA-N 374.729 3.921 0 1 FHAF O=c1c(-c2nc3ccc(CO)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587173439 VOEJSRTWPLOUBM-UHFFFAOYSA-N 367.355 3.650 0 1 FHAF O=C1c2ccccc2-c2cc(C3CCS(=O)(=O)CC3)nc3cccc1c23 587209630 QXAOHVRJIMBNOW-UHFFFAOYSA-N 363.438 3.738 0 1 FHAF O=C(/C=C/c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)Nc1ccccc1 587244567 PPGUQFJWCFFWIG-VOTSOKGWSA-N 367.718 3.629 0 1 FHAF O=C(Cc1ccccc1F)c1c(CO)oc2cc(Br)cnc12 587276743 UGCCVXXUUJJEDK-UHFFFAOYSA-N 364.170 3.647 0 1 FHAF CCOC(=O)C[C@]1(Cc2cccc(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587384582 NAWHRRSGFZEEFZ-NRFANRHFSA-N 371.408 3.616 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccncc1Br)[C@@H](C2)C3=O 587417898 QJMJGCIVQXFQPZ-SJCJKPOMSA-N 360.207 3.516 0 1 FHAF O=C1CC2(CCN(Cc3cccnc3)CC2)Oc2c1ccc1c2CCCC1 587512267 BXKJHUSUCGXECD-UHFFFAOYSA-N 362.473 3.960 0 1 FHAF CCOC(=O)C(=O)[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526673 ZCWHHMWDCSJNLG-VGOFRKELSA-N 370.445 3.592 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1F 587567323 GLOZXGAHXLWDPV-JXFKEZNVSA-N 352.317 3.940 0 1 FHAF CC(C)Cn1nccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581222 KZXOBYDEOUJDLF-GHTZIAJQSA-N 364.401 3.948 0 1 FHAF CCOc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587514 NBEXTQQNQIORKH-FXAWDEMLSA-N 363.369 3.889 0 1 FHAF Cc1ccc(C)c(-c2cnnc(-n3ncc4ccc(Cl)cc4c3=O)n2)c1 587652878 MCRNRMIZKUEMLG-UHFFFAOYSA-N 363.808 3.508 0 1 FHAF CCn1cc([C@]2(CC)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587765802 UHDBUYSATSNAPA-DIFFPNOSSA-N 366.278 3.992 0 1 FHAF COC(=O)c1cc2[nH]c([C@@H]3C[C@@]3(C)c3ccccc3OC)nc2cc1OC 587930913 QOPDATZVGCWOJD-QKKBWIMNSA-N 366.417 3.812 0 1 FHAF Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O 587944755 HATCKRMASZVSAD-UHFFFAOYSA-N 351.381 3.793 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@]1([C@H]1CCOC1)C(F)(F)F 962371979 IMCILLCAESJPIT-SUMWQHHRSA-N 370.440 3.939 0 1 FHAF CCOC(=O)[C@]1([C@@H]2CCCC2=O)c2ccsc2CCN1Cc1ccco1 962709987 KSEADWUKDHLUJH-QRWLVFNGSA-N 373.474 3.527 0 1 FHAF CCOC(OCC)c1ccc([C@H]2NCCc3c2c(C(C)C)nn3C)cc1 962918981 JJKVRTAWAFIPGD-HXUWFJFHSA-N 357.498 3.850 0 1 FHAF COc1cccc(C(=O)Nc2cnc(O)c(-c3cccc(C)c3)c2)c1O 1857747276 PXBYWYULJHIRDJ-UHFFFAOYSA-N 350.374 3.729 0 1 FHAF Cc1cc2c(cc(C(=O)OCC(=O)NCc3cccs3)n2C(C)C)o1 4375680 QELFCISIPRBXBZ-UHFFFAOYSA-N 360.435 3.658 0 3 FHAF CC[C@H](CO)Oc1cc(NCc2ccncc2)c2ncn(C(C)C)c2c1 61948919 MSHOLKMGYRGTFZ-MRXNPFEDSA-N 354.454 3.774 0 3 FHAF CC[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1ccc(Cl)nc1)C1CCCC1 4986435 BGLBKWUSCFLDEE-HNNXBMFYSA-N 365.905 3.813 0 3 FHAF CCN(CC)C(=O)c1ccc([C@@H](C2CCCCC2)N2CCNCC2)cc1 22939821 GNWZLSOWHKZQEB-OAQYLSRUSA-N 357.542 3.695 0 1 FHAF CNc1nnc(Cn2c(-c3ccc(OC)cc3)nc3ccccc32)s1 29124492 PDZUAGNBTSFYHV-UHFFFAOYSA-N 351.435 3.653 0 1 FHAF CC1=C[C@H](O)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c2ccccc2)C1 2356331966 XFIOXSQDNUOOPB-NGVUMRSOSA-N 358.478 3.726 0 1 FHAF Brc1ccc2ccn(CCN3CCN4CCCC[C@@H]4C3)c2c1 22939898 BLSQYWMYZDWZGN-QGZVFWFLSA-N 362.315 3.574 0 1 FHAF COc1ccc2c(c1)Oc1ccccc1[C@@H]2SCCN1CCOCC1 25967366 FEWZQQHIZAEXEV-FQEVSTJZSA-N 357.475 3.956 0 1 FHAF CNC(=O)[C@@H](Cc1ccccc1)NCc1ccc(OCc2ccccc2)cc1 27653338 PFZGGJTWPMATOE-HSZRJFAPSA-N 374.484 3.713 0 1 FHAF O=C(NCc1ccccc1OC(F)(F)F)N1CC[C@H](c2ccncc2)C1 49052126 QCMYNIHAZUWGBC-HNNXBMFYSA-N 365.355 3.679 0 1 FHAF Cc1nc2cc(OCc3cc(C(=O)N4CCCCC4)no3)ccc2s1 45245926 WKMMDWFOCLSXKT-UHFFFAOYSA-N 357.435 3.798 0 1 FHAF CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1C[C@@H](O)c1cc(O)ccc12 299865288 TVWNDZCYNFGPAB-ZLVRZWSFSA-N 368.473 3.526 0 1 FHAF CSc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)OCCO2 587408905 FEBUYQMDTGDJDK-OAHLLOKOSA-N 357.431 3.777 0 1 FHAF c1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2cc1CN1CCOCC1 587951901 UYPXKSMSOQUBGV-UHFFFAOYSA-N 363.461 3.993 0 1 FHAF COc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cn1 586999350 YBJIEPXYROITJB-IHWYPQMZSA-N 374.194 3.628 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(CC3CC3)n2)N1 587761672 CALKCFMYTFVSMH-BTDLBPIBSA-N 364.262 3.818 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(cc1N)OCO3)CC2=O 587473092 PTNPAIFTQOZRQF-FQEVSTJZSA-N 355.390 3.536 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](CC(C)C)NC(=O)OC(C)(C)C)O2 587385701 DZJXNMZQOHDUGB-WBVHZDCISA-N 362.470 3.850 0 1 FHAF CSc1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587614174 RBFYCTMSWHMTSE-CRAIPNDOSA-N 366.398 3.607 0 1 FHAF CCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587762453 DYQVXJCHJRXSFN-FVMDXXJSSA-N 352.251 3.737 0 1 FHAF COCCCOc1cc([C@H]2NCCc3cc(C)c(F)cc32)ccc1OC 962295117 CIWXCCQFHGIDBT-OAQYLSRUSA-N 359.441 3.793 0 1 FHAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cn(CC(F)F)c3ccc(F)cc13)C2 1772633779 ZOWAFKAFRKQHIU-STQMWFEESA-N 366.383 3.828 0 1 FHAF COc1cc([C@H]2CNC[C@H](c3c[nH]c4ccccc34)O2)cc(OC)c1OC 13385559 APYCBBUCRVHTDX-WOJBJXKFSA-N 368.433 3.596 0 1 FHAF biogenic Cc1cc(-c2ncc(C(F)(F)F)[nH]2)ccc1OC[C@H](O)CNC(C)(C)C 169317591 DADOFOZABFAGRA-CYBMUJFWSA-N 371.403 3.532 0 1 FHAF CNC(=O)[C@H](CCCCCCC(=O)Nc1ccc2ccccc2c1)N=O 169724764 SGEJUQOOLDRWCI-SFHVURJKSA-N 355.438 4.000 0 1 FHAF O=C1COCc2cc(-c3cccnc3)ccc2N1Cc1ccc2c(c1)OCO2 206019710 UXXIJGLVQVDSSL-UHFFFAOYSA-N 374.396 3.541 0 3 FHAF O=C(Nc1nnc(-c2cccs2)o1)c1ccc(Br)cc1 4330326 LYPFJMICELZLLY-UHFFFAOYSA-N 350.197 3.813 0 1 FHAF COC(=O)C=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 4403982 MVLYYRYIEZOWIZ-RGBOINFLSA-N 356.462 3.797 0 1 FHAF biogenic C1=CCOCc2cncc(c2)-c2ccnc(n2)Nc2cccc(c2)COC1 254153145 TWRIPCVWWMPBCA-UHFFFAOYSA-N 360.417 3.885 0 1 FHAF COc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1 1380392 ANWMXLQMBRINAP-UHFFFAOYSA-N 367.424 3.970 0 3 FHAF Cc1ccc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccncc2)cc1 6487845 SZTDKVJTFXOKQW-INIZCTEOSA-N 363.446 3.766 0 1 FHAF CCC(=O)c1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O 103262809 MEQUUKJBPBMVIS-UHFFFAOYSA-N 374.485 3.977 0 1 FHAF CCCN(C(=O)Nc1ccccn1)c1ccc(OC(C)(C)C(=O)O)cc1 103242858 IXXXLYXLQXKVRV-UHFFFAOYSA-N 357.410 3.772 0 1 FHAF NC(=O)c1ccc(Nc2ncc(N=O)c(OCC3CCCCC3)n2)cc1 103192010 FLXKJXLZBWOYGN-UHFFFAOYSA-N 355.398 3.676 0 1 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@H]1[C@H](C)CC(=O)C3 29477585 VDSHRIABCYXDCJ-FNOORWRPSA-N 353.506 3.979 0 1 FHAF CC(C)CNC(=O)[C@]1(C)CCCN1C(=O)Cc1cccc2ccccc12 61927297 WGQQYJBATCFYFI-QFIPXVFZSA-N 352.478 3.536 0 3 FHAF O=C1NC[C@@H](c2ccc(C3CCOCC3)cc2)N1c1ccc2[nH]cnc2c1 116196085 GWXBTXPEXGMINE-FQEVSTJZSA-N 362.433 3.728 0 1 FHAF NC(=O)N1c2ccccc2C[C@@H](OC(=O)c2cccnc2)c2ccccc21 26575755 XNFYWJBHABLCLD-LJQANCHMSA-N 359.385 3.753 0 1 FHAF O=C(O)CC1=C(c2ccc(Cl)cc2)N=C(S)N[C@@H]1c1cccnc1 29467381 KSHHFARRHZDEDM-MRXNPFEDSA-N 359.838 3.551 0 1 FHAF O=C(O)c1cc(Cc2ccc(-c3cccnc3)cc2)c2ccccn2c1=O 68205437 MQYWZUGYLLXLSK-UHFFFAOYSA-N 356.381 3.651 0 1 FHAF Cc1ccccc1N1CCN(c2ccc(C(=O)Nc3ccccc3)cn2)CC1 45186879 UTZVYHQVZWPSNN-UHFFFAOYSA-N 372.472 3.969 0 1 FHAF O=C1NC(=O)[C@H](Cc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)S1 45390011 JGTAQUSHHUASQK-NSHDSACASA-N 368.336 3.787 0 1 FHAF O=C(CCC(F)(F)F)N1CCC(c2nnc(-c3ccccc3)o2)CC1 82152030 WXVXDMOILHLXPD-UHFFFAOYSA-N 353.344 3.785 0 1 FHAF O=C(C1CC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 95878285 CFOGSURRWQCXSO-WMQCIHAUSA-N 366.436 3.579 0 1 FHAF CNC(=O)c1cnc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)n1 299844911 NPPVXRUJMHXOBP-SHTZXODSSA-N 367.449 3.560 0 1 FHAF CC[C@@H](C)CN1C[C@H]2[C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 299813433 LZBCXHGIIMSXTK-KLWIRTJPSA-N 355.309 3.947 0 1 FHAF CCOC(=O)[C@@H]1CC(=O)c2sccc2[C@H]1c1ccc(OC)cc1OC 653823819 HKGCPTGFHRGUHO-RHSMWYFYSA-N 360.431 3.663 0 1 FHAF O=C(O)C[C@H]1COc2cc(OCc3ncc(-c4ccccc4)o3)ccc21 653729287 ACIPEPWXUJKTQO-AWEZNQCLSA-N 351.358 3.871 0 1 FHAF CC(=O)C[C@@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587719664 LLZWQJQLRUYIDI-JKYUHCHBSA-N 350.178 3.562 0 1 FHAF COC(=O)c1ccoc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587829276 PYZVFENNGWQXEI-RMLUDKJBSA-N 368.202 3.591 0 1 FHAF COc1ccnc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587585809 GMXLRDZOSVRQMI-GHTZIAJQSA-N 363.369 3.673 0 1 FHAF Cc1cc(C)n(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587764852 RNHJGJQOWKFAFE-BTDLBPIBSA-N 366.278 3.851 0 1 FHAF Nc1c(F)c(F)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1F 587137313 ZCEXUEOTEZYFIC-UHFFFAOYSA-N 367.640 3.643 0 1 FHAF COc1ccc(C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600125 LKVHGSBEBNREIU-VQTJNVASSA-N 362.381 3.974 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(C)ccnc3[nH]2)cc1 587041537 XFHSLWCNSXAFOI-HNNXBMFYSA-N 368.462 3.553 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 587400461 PXAOPMDFKLMLSP-CYGODWOOSA-N 362.473 3.823 0 1 FHAF CC(C)N1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587771101 VGSMKEBBWDVHIO-YVEFUNNKSA-N 355.295 3.822 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cnn(CC(F)F)c1C)CC2=O 587467975 VUJHWSHLNITPKG-INIZCTEOSA-N 350.365 3.821 0 1 FHAF CSc1nccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587842244 DHSRJTKPNJOBKQ-CLAHSXSESA-N 368.275 3.724 0 1 FHAF CCOC(=O)c1ccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398321 DUJHUCDKHSLLTI-INIZCTEOSA-N 353.418 3.721 0 1 FHAF COCCCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441418 KIPXHQVZNFXELS-DYESRHJHSA-N 354.402 3.599 0 1 FHAF Cc1[nH]nc2c1[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587792948 IXOYBMKYNYGKGA-XLFHBGCDSA-N 364.262 3.734 0 1 FHAF Cn1ccc2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575226 DSKLDAXCGRLGPG-UGKGYDQZSA-N 361.397 3.924 0 1 FHAF OCCc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005020 JHVSTVZLLKSPNM-UHFFFAOYSA-N 352.619 3.576 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(C1CCNCC1)O2 587384367 KWLVJMUVXKJGNV-OAQYLSRUSA-N 354.425 3.577 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3ccc(Br)cc31)O2 587372358 POVNDFZOTVNDHA-SFHVURJKSA-N 374.234 3.983 0 1 FHAF COc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc(OC)c1OC 587874237 YVKBCTRZHJCOJV-UHFFFAOYSA-N 370.336 3.509 0 1 FHAF COc1cc2c3c(c1)O[C@@H]([C@H](C)c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587442131 KCYINSMDSWNFBP-JSKPFOEOSA-N 354.402 3.632 0 1 FHAF CCOC(=O)c1cn2ncnc(Oc3ccc4[nH]ccc4c3)c2c1CC 13684225 GIQJKVSLTUAPNE-UHFFFAOYSA-N 350.378 3.742 0 1 FHAF COc1nc2cccnc2n1-c1ccc(C(=O)c2nc3ccccc3[nH]2)cc1 169351374 MFKLUUCPGWELPI-UHFFFAOYSA-N 369.384 3.536 0 1 FHAF COC[C@@H](C)n1cc(C#N)c2cc(-c3nc(C)c(C(=O)O)s3)ccc21 168003718 XCJYKAXMEGJJHV-SNVBAGLBSA-N 355.419 3.851 0 1 FHAF N#Cc1cc(C2=Nc3ccc(Br)cc3NC(=O)CC2)ccn1 207687401 JNLRDCDCGXPNKH-UHFFFAOYSA-N 355.195 3.569 0 1 FHAF in-vitro C[C@H]1CCCC(=O)N1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857757714 YBCNLHCGDVOMHJ-BBRMVZONSA-N 372.415 3.835 0 1 FHAF O=C(O)[C@@H](Cc1ccccc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1521100 YRZPQBRVQSKDRM-OAHLLOKOSA-N 369.402 3.826 0 1 FHAF Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H](C(C)C)C(=O)N3)cc1C 8583839 TZAWXKUNAWBSAE-GOSISDBHSA-N 358.463 3.796 0 1 FHAF Cc1nc(N2CCC[C@@H]2C(=O)N[C@H](C)c2cccs2)nc2ccccc12 12453351 HSYMMPVHLDHCDZ-RHSMWYFYSA-N 366.490 3.846 0 1 FHAF CC(C)NC(=S)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 13608339 QISMDQOOEJBZPX-LBPRGKRZSA-N 357.317 3.924 0 1 FHAF CCCNC[C@@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 26014718 MOAJWVAXQNJPPR-OAHLLOKOSA-N 357.479 3.545 0 1 FHAF CCCOc1ccc(CN2CCN(C(=O)Nc3ccccc3)CC2)cc1 35813876 QRSIWLSXZSMFBL-UHFFFAOYSA-N 353.466 3.825 0 1 FHAF CC(=O)O[C@@H]1C[C@]2(C)CC(=O)CC[C@@H]2[C@@](C)(CCC2=CCOC2=O)[C@@H]1C 85884716 QDTUSVHHDVBLPZ-NMYMGKQWSA-N 362.466 3.603 0 1 FHAF biogenic CCCCCC(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1 95575026 QMHIUPMARAOPEA-UHFFFAOYSA-N 352.478 3.611 0 1 FHAF Cc1nc2sc(C(=O)NCCc3cccnc3)c(N)c2c(C)c1Cl 95593045 JEAQKWTZBWBWEN-UHFFFAOYSA-N 360.870 3.516 0 1 FHAF CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc3c(c2)OCO3)C1 95593405 NSIYNGOBBBLDIU-UHFFFAOYSA-N 365.429 3.638 0 1 FHAF COc1ccc(NCn2nc(-c3ccc4c(c3)OCCO4)oc2=S)cc1 96935208 RKHHFSKHTXARGU-UHFFFAOYSA-N 371.418 3.722 0 1 FHAF Cc1cc(C)c2c(n1)sc1c(NC[C@@H](C)N)nc(-c3ccncc3)nc12 223661912 SBVYNSINPDQOPR-LLVKDONJSA-N 364.478 3.677 0 1 FHAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4C[C@@H](O)[C@]23CN1C 255260677 QESDNCVYXJTJRY-XVOPWZDGSA-N 372.597 3.780 0 1 FHAF COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@H]2O 257606042 WLRZIPVGEMNPES-BCSOYYNPSA-N 374.477 3.864 0 1 FHAF endogenous,in-man COC(=O)c1cc2[nH]c([C@H](O)[C@@H](C)c3ccc(C)cc3)nc2cc1OC 586885619 CRXGHXUVWRGOGT-KPZWWZAWSA-N 354.406 3.504 0 1 FHAF COC(=O)c1cc(Cl)c2nc(C3=Cc4cccc(O)c4OC3)[nH]c2c1 586907547 HHWBVSIIPBQKFS-UHFFFAOYSA-N 356.765 3.642 0 1 FHAF Cc1ccc(-c2nnc(SCc3nc4c(C)ccnc4[nH]3)n2C)cc1 586965844 RZEUTQWUHLCYFJ-UHFFFAOYSA-N 350.451 3.663 0 1 FHAF COc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1OC 587042349 SLCKMDZGHJFEHD-CRAIPNDOSA-N 355.463 3.526 0 1 FHAF Fc1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587118991 UMWQLTNLQKKVPM-UHFFFAOYSA-N 351.263 3.621 0 1 FHAF Cc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1F 587234392 LYUGIOFAZQBXPE-UHFFFAOYSA-N 361.417 3.874 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H](C2)N3C)N1 587777017 YMVIVDHRFFSWHZ-JCKZUZKGSA-N 353.279 3.574 0 1 FHAF CC[C@]1([C@@H](C)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804255 DEEPCJGEHUCJCR-XQJJYNOISA-N 358.251 3.537 0 1 FHAF COC(=O)C(C)(C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806477 JILLPALXOFDWFD-XXFAHNHDSA-N 358.251 3.537 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](C(=O)O)C2)N1 587827092 NMPIYVKLQDHJNS-KCWFYHRYSA-N 356.235 3.593 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2OCO3)N1 587834287 KPRBNYQVAJEJAA-XXFAHNHDSA-N 364.214 3.941 0 1 FHAF CCCCOc1cc([C@@H]2c3ccsc3CCN2C(N)=O)ccc1OC 962703435 CWBCWFFCKJRCRV-GOSISDBHSA-N 360.479 3.962 0 1 FHAF O=C(O)c1cccc2c1CCN[C@]2(CNC1CCCCC1)c1ccccc1 963129922 GZNJVKHJUUJCEG-HSZRJFAPSA-N 364.489 3.696 0 1 FHAF Cc1ccncc1[C@]1(c2cc(F)ccc2F)NCCc2ccc(O)cc21 963340427 HBORHMXPXXTOFG-NRFANRHFSA-N 352.384 3.811 0 1 FHAF COC(=O)c1noc2c1C[C@]1(C)c3cc(OC)ccc3CC[C@H]1C2(C)C 1772578208 FIBWOZSGSXVQJE-HRAATJIYSA-N 355.434 3.824 0 1 FHAF COc1cc(Cc2ccc3c(O)c(OC)ccc3c2O)cc(OC)c1OC 1857581608 KVLUXWPQCSTQJX-UHFFFAOYSA-N 370.401 3.876 0 1 FHAF COc1ccc(C2=N[C@H](c3ccc(O)cc3)[C@H](c3ccc(O)cc3)N2)cc1 1857592511 VNZSAVWGWYBLSW-OYRHEFFESA-N 360.413 3.939 0 1 FHAF CC[C@@H]1CN(Cc2ccncc2)CC[C@H]1CC(=O)NCc1cccs1 2356872207 YQJPLAFIIYLSFE-MSOLQXFVSA-N 357.523 3.698 0 1 FHAF Cc1ccc([C@]2(COC(=O)c3ccccc3)CO2)c(OC(=O)C(C)C)c1 1567078 FJLQUQYSVZGXDR-NRFANRHFSA-N 354.402 3.639 0 1 FHAF biogenic O=C(NC[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 6935582 NFIAWFQFCCZVQE-INIZCTEOSA-N 373.884 3.839 0 1 FHAF NCCCNc1nc(-c2ccc(Br)cc2)cc2ncccc12 13489172 DEPZWPCYJCJMNI-UHFFFAOYSA-N 357.255 3.820 0 1 FHAF CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1CCC(=O)O 26003515 BXGGDUROFFZTOJ-UHFFFAOYSA-N 354.402 3.886 0 1 FHAF COc1ccc([C@H]2CNC(=O)N2C)cc1OC1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1 26746047 SPRAISFZWHQEFO-XFBMIQBLSA-N 356.466 3.595 0 1 FHAF COC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)OC)c[nH]c1=S 28334084 GKGBSAVFXGVREQ-GFCCVEGCSA-N 361.250 3.875 0 1 FHAF CCN(CC)C(=O)[C@@]1(c2sc(Cl)c(Cl)c2Cl)C[C@H]1CN 29043066 DRYNWXRVJSBMFJ-CPFSXVBKSA-N 355.718 3.793 0 1 FHAF CCn1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc21 38794798 QEARQFULDJPTIK-UHFFFAOYSA-N 369.417 3.927 0 1 FHAF CCc1cccc([C@H]2CN3CCc4cc(OC)c(OC)cc4[C@@H]3C[C@@H]2N)c1 45338587 ZJBDICRKAFUJEV-HKBOAZHASA-N 366.505 3.680 0 1 FHAF COc1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1O 58502058 MHUZPLQCIQUALQ-UHFFFAOYSA-N 360.365 3.945 0 1 FHAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccco1 82141839 FQTFDEQUYTVKOH-HOCLYGCPSA-N 354.454 3.645 0 1 FHAF COc1ccc(NC(=O)c2cnn3c(-c4ccccc4)cc(C)nc23)cc1 95555973 KUQXIIMOPRQJEU-UHFFFAOYSA-N 358.401 3.966 0 1 FHAF COc1cc2cc3[n+](cc2c(Cl)c1OC)CCc1cc2c(cc1-3)OCO2 95564944 IKPZKQLSJQAILC-UHFFFAOYSA-N 370.812 3.750 0 1 FHAF NC1=N[C@@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)C[C@@H]2CCS1 95589212 WQDXYYJHDFSNIX-KPZWWZAWSA-N 372.881 3.654 0 1 FHAF CCc1ccc(N2CCC3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 96286139 KUPRTJHTZJLKLG-UHFFFAOYSA-N 363.505 3.972 0 1 FHAF CN1[C@@H]2CC[C@@H]1CC(NC1CCN(Cc3ccc(Cl)cc3F)CC1)C2 101594999 FPGDJTQXXKYMSU-RTBURBONSA-N 365.924 3.658 0 1 FHAF COc1ccc(-[n+]2noc(O)c2CNc2cc(Cl)ccc2Cl)cc1 103191662 FAJTYAVLFLHHES-UHFFFAOYSA-O 367.212 3.584 0 1 FHAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cccc(Cl)c1 104116376 GCDFULPEFIWKLJ-IDTYTIONSA-N 361.833 3.998 0 1 FHAF CCn1cc(-c2cc(CO)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 116911554 AWJWYRFYSCGZBT-IBGZPJMESA-N 374.362 3.841 0 1 FHAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cnc2[nH]ccc2c1 142455498 JYQSULAWBCVPQW-SNVBAGLBSA-N 364.232 3.953 0 1 FHAF CCOC(=O)c1c(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3O2)sc2c1CCCC2 169691154 AWJBFLMUDGWLSD-QWRGUYRKSA-N 373.430 3.688 0 1 FHAF Cc1nc(C2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C)n1 219527310 YMIGEGREEIRDFU-UHFFFAOYSA-N 373.464 3.530 0 1 FHAF Cc1csc([C@](O)(Cc2nc3cc(F)cc(F)c3[nH]2)C(F)(F)F)n1 587093535 GDCKJXRXNPHUKV-CYBMUJFWSA-N 363.311 3.599 0 1 FHAF Cc1cc(Br)c2[nH]c(-c3ccc(CC(=O)O)c(N)c3)nc2c1 587249860 OGRCDJWDMOAQHW-UHFFFAOYSA-N 360.211 3.510 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(Br)n1)[C@@H](C2)C3=O 587417014 IFZHGQJBETYHBQ-APPDUMDISA-N 360.207 3.516 0 1 FHAF COc1cc2c3c(c1)OC1(CCC(N(C)CC(F)(F)F)CC1)[C@@H](C2)C3=O 587423833 ZRPOYYBLLIQPSW-FHBSJOOWSA-N 369.383 3.618 0 1 FHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(N)c(N)c1)[C@@H](C2)C3=O 587432989 OAALUPAGZHQYAO-GAJHUEQPSA-N 372.424 3.551 0 1 FHAF CCn1cnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555265 ZPTZSAQXZFZDJD-KBXCAEBGSA-N 370.792 3.965 0 1 FHAF COCC[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599659 YMNJACGVHLADQI-HLLQZAQXSA-N 354.402 3.929 0 1 FHAF CCOC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2cc(F)ccc12 587636003 WSWSNDNPVJMBOD-UHFFFAOYSA-N 370.380 3.910 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)OC(C)(C)C)N1 587751952 CEFMOFLGZIFDKL-SKDRFNHKSA-N 373.266 3.688 0 1 FHAF COc1ccncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587773432 ILINELFUGRILJO-XXFAHNHDSA-N 351.219 3.615 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)O)cs2)N1 587844439 AANAJAVUQOQLPZ-NXSYQRQQSA-N 370.243 3.972 0 1 FHAF Cc1cn2c(n1)[C@@]1(CC=C2)NC2(CC2)Cc2ccc(Br)cc21 961617860 XKGNATQSUHPBNA-SFHVURJKSA-N 356.267 3.750 0 1 FHAF CC(=O)O[C@@H]1C(=O)[C@](C)(O)c2c(O)cc(C)cc2[C@@H]2[C@H](C(C)C)CC[C@]12C 2356391975 KGGPBWHTMLVPDY-VTWDJUSVSA-N 374.477 3.578 0 1 FHAF CCC=CCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@H]1CC=CCCC(=O)O1 2356674365 FGQRGNDJJATRPA-XIYVOTBMSA-N 360.494 3.855 0 1 FHAF C[C@@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCc2ccccc2C1 2356302786 AXKVCQUXEBFMDY-CYBMUJFWSA-N 366.392 3.733 0 1 FHAF CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1C[C@@H](C)C[C@@H](C)C1 6797140 XIQWHFLGGWAWRD-TXEJJXNPSA-N 352.887 3.791 0 1 FHAF O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 26498759 DIYWXMAFIJZOJZ-YYCBCANDSA-N 352.522 3.636 0 1 FHAF Cc1ccc(CSc2nc3cc(F)c(N4CCNCC4)cc3[nH]2)cc1 29048420 WDQXCHYZLLWIJI-UHFFFAOYSA-N 356.470 3.712 0 1 FHAF COc1cc([C@H]2CN=C(c3cnc4ccccc4c3)O2)cc(OC)c1OC 27523552 VEZHDQIKDOMLDY-LJQANCHMSA-N 364.401 3.779 0 1 FHAF CO[C@@H]1C=C(C(=O)O)[C@]2(C)CC[C@H](C)[C@@](C)(CCC3=CCOC3=O)[C@@H]2C1 2356738124 YWJHZGOKKDDVHY-PHWYYDIVSA-N 362.466 3.738 0 1 FHAF C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075266 MNIJXUFCXYXKGB-BPUDTRNYSA-N 364.533 3.919 0 1 FHAF COc1cc2c(cc1CC=C(C)C)C(=O)[C@@H](c1ccc(O)cc1O)CO2 14819442 LSNIAXJYXWHPNJ-QGZVFWFLSA-N 354.402 3.974 0 1 FHAF biogenic O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(F)cc1)O[C@@H](CCC(F)(F)F)C2 72139925 FCVWXLHBBVCZFH-GWCFXTLKSA-N 374.359 3.945 0 3 FHAF CCN(CC)CCC(=O)NCCCOc1ccnc2cc(Cl)ccc12 45353087 XHUFHTJQUAQMBI-UHFFFAOYSA-N 363.889 3.505 0 1 FHAF CCN(C)Cc1ccc(C[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40914507 LQLHQUVZQVHQBV-GOSISDBHSA-N 353.462 3.753 0 1 FHAF Cc1ccc(C(=O)c2ccc3nc(NC(=O)C(F)(F)F)cn3c2)cc1F 49051891 WBZZNUXMSRZVOV-UHFFFAOYSA-N 365.286 3.514 0 1 FHAF COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1C 95594565 MXHOUKNORPMFKW-UHFFFAOYSA-N 365.473 3.879 0 1 FHAF CCCC[C@H](CC)CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 95574072 BJSSATMJOLCJJW-ZDUSSCGKSA-N 367.457 3.899 0 1 FHAF C[C@]1(CCC(=O)O)[C@H](CC(=O)O)CC[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]2CC[C@]1(C)O 299854371 XJUWUPPPXWMHAF-PHALZCCXSA-N 366.498 3.936 0 1 FHAF N=c1nc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2c(Cl)[nH]1 587077187 SQKNDEDQBPBPFJ-UHFFFAOYSA-N 373.203 3.507 0 1 FHAF COc1ccc(C[C@@H](C)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1OC 587926923 PWOHIHVNOYKIPN-GFCCVEGCSA-N 365.433 3.811 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)cnn2C)N1 587697736 OXUXKGSJSARHTA-GLEZIHRCSA-N 372.669 3.773 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1cnn(CC)c1)(C(F)F)CC2=O 587466535 OJZUKQPRPLJXQK-GOSISDBHSA-N 350.365 3.687 0 1 FHAF O=C1C[C@@H](c2ccc(N3CCC(O)CC3)o2)Oc2c1ccc1c2CCCC1 587514410 OBVAYZLOYMARBI-FQEVSTJZSA-N 367.445 3.826 0 1 FHAF O=C(O)C[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348139 CJVSLXSPYMFOFA-VTOVKPRRSA-N 370.376 3.904 0 1 FHAF Nc1c(F)cc(-c2nc3ccc(I)cc3[nH]2)cc1F 587134290 FJVGQGKVDRWWDR-UHFFFAOYSA-N 371.128 3.695 0 1 FHAF COC(=O)c1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2c1OC 587925657 BZDLGILZHSYXPY-UHFFFAOYSA-N 366.417 3.755 0 1 FHAF Cc1cc2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2c(C)n1 587019974 AELUERREURXUJJ-UHFFFAOYSA-N 359.455 3.969 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1ccc(O)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587418109 AUYVZRDMVOKNTI-APPDUMDISA-N 350.292 3.908 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1nc3cc(OC)ccc3n1C)CC2=O 587476940 SEJKYEHCHBACPR-LJQANCHMSA-N 366.417 3.947 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(O)ccc2N)N1 587747259 KZILOSPNAUSYCJ-HUTHGQBESA-N 365.246 3.674 0 1 FHAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c[nH]c(=N)[nH]c-4n3)c21 587032078 YUQOOTGAGJGOAA-JTQLQIEISA-N 350.451 3.676 0 1 FHAF Cc1ccc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587775098 ZBCSDHRAIBSFEC-PSLIRLAXSA-N 351.219 3.621 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2ccc(CN3CCCCC3)s2)N1 962925603 WIYQSHCEPKBLOL-LPHOPBHVSA-N 374.481 3.561 0 1 FHAF COc1c(F)cc(F)cc1[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962727804 AYCYICMCYHOFEL-CABCVRRESA-N 371.305 3.709 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2ccc(-c3ccccc3F)nc2)N1 962927145 ZUOZPGSALOLLLX-AZUAARDMSA-N 366.367 3.715 0 1 FHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(CC3(CCCC3)Oc3ccccc32)N1 962901861 UGKQMCBRHQOGPD-AVRDEDQJSA-N 367.420 3.764 0 1 FHAF CSc1nnc(CCCO)n1-c1ccc(Cl)c(Cl)c1Cl 1857567547 FZYPVDOMVPNFSP-UHFFFAOYSA-N 352.674 3.874 0 1 FHAF COc1ccc(-c2nc(N3CCNCC3)sc2Cc2ccccc2)cc1 115801657 NIGONPCMHDDQOB-UHFFFAOYSA-N 365.502 3.819 0 1 FHAF CNc1nc(-c2ccc3[nH]cc(-c4cncc(OC(C)C)n4)c3c2)no1 204775756 KGBVDJBWYKPEQH-UHFFFAOYSA-N 350.382 3.504 0 1 FHAF COc1cc2c(cc1C)NC(=O)/C2=C/c1c(OC)nc2sc(C)cn12 1857575195 OPZIKHMAPIOJEF-WUXMJOGZSA-N 355.419 3.523 0 1 FHAF CC(=O)N1CCC(N2CCC[C@@H](CCc3c(F)cccc3F)C2)CC1 12228206 GLDSQFBFUMNSJV-INIZCTEOSA-N 350.453 3.620 0 1 FHAF CC(C)OCCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 20414972 QECKYBQDUFALDL-UHFFFAOYSA-N 361.511 3.832 0 1 FHAF Cc1cc(-c2ccc(C(=O)O)c(O)c2)oc1/C=C1\SC(=S)N=C1O 40428960 KYEWMUNQRWULNV-MLPAPPSSSA-N 361.400 3.988 0 1 FHAF CCCN1C(=O)c2ccccc2[C@@]1(O[C@@H]1CC[C@H](O)C1)c1ccc(F)cc1 66128610 QBTWQHLSEJRMBJ-SVMVAKDDSA-N 369.436 3.823 0 1 FHAF CN1CCN(c2cnc3cccc(OCc4cccc(F)c4)c3c2)CC1 71318750 VQPPADWVXCUEOK-UHFFFAOYSA-N 351.425 3.705 0 1 FHAF c1ncc(-c2ccc3[nH]cc(-c4ccc(N5CCNCC5)cc4)c3c2)cn1 73129648 UJVOMAAEEVUSBV-UHFFFAOYSA-N 355.445 3.702 0 1 FHAF COc1cc(Cl)ccc1O[C@H](c1ccc(F)cc1)[C@@H]1CNCCO1 89465220 OGUCJMOATTVEME-ZWKOTPCHSA-N 351.805 3.596 0 1 FHAF in-vitro COc1cc2c(cc1OC)CN(CCOc1ccc3ccccc3n1)CC2 96272350 OBOOGPODPPLOFG-UHFFFAOYSA-N 364.445 3.689 0 1 FHAF Cc1nc(Cc2cccc(Oc3ccccc3)c2)c2c(c1O)[C@H](O)OC2=O 103242043 QGOZCMVVOFYVGW-OAQYLSRUSA-N 363.369 3.640 0 1 FHAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2cccs2)n[nH]1 143340414 BMXNUAVEHWWUDM-OAHLLOKOSA-N 368.462 3.666 0 1 FHAF CC1=C(c2ccc3nc(-c4sc(C5CC5)nc4C)[nH]c3c2)NNC(=O)C1 587011065 BRJJBIWHJJTKCV-UHFFFAOYSA-N 365.462 3.628 0 1 FHAF CN[C@H](c1cccnc1)c1nc2cc(Cl)cc(Br)c2[nH]1 587222995 NCFDMYNNMZOFCJ-GFCCVEGCSA-N 351.635 3.683 0 1 FHAF CCc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 587234372 KTMMBNPSHCBEEG-UHFFFAOYSA-N 357.454 3.988 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cncc(Br)c1C)[C@@H](C2)C3=O 587417873 MZMDFFMCUGSDKQ-GTNSWQLSSA-N 360.207 3.650 0 1 FHAF CCOc1cc2c(cc1[C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)O[C@@H](C)C2 587455964 RMIBYDYOBZFDEO-CNUNAPQTSA-N 366.413 3.906 0 1 FHAF O=C1C[C@](c2ccc(F)cc2)(c2nc[nH]n2)Oc2c1ccc1c2CCCC1 587506743 LLSZGRWDZZKTQU-NRFANRHFSA-N 363.392 3.732 0 1 FHAF O=Cc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614656 UDOSGBUAILVIQZ-QAPCUYQASA-N 352.367 3.969 0 1 FHAF C/C(N)=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587705407 MIKOOKFELDBLRJ-JKJLEVRWSA-N 367.184 3.743 0 1 FHAF CC(C)CCOC(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587795128 QSGPPZQSDCEOIM-PIGZYNQJSA-N 372.278 3.927 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)c3ccccc32)N1 587819179 HFZHLSJXDHYMPB-MLCYQJTMSA-N 360.226 3.952 0 1 FHAF CC(=O)C[C@]1(c2ccncc2)c2ccsc2CCN1Cc1cccn1C 962397031 IZZODHGNWRTVIH-NRFANRHFSA-N 365.502 3.763 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@@]2(C1)c1c(ccc(OC)c1OC)C[C@H](C)N2C 962616631 BKWCYYBERSIMAU-CMPZQBNXSA-N 361.482 3.529 0 1 FHAF COc1ccc2c(c1OC)[C@](C)(CC(=O)N1CCCC[C@@H]1C)N(C)[C@@H](C)C2 962628465 MIMKBSWCAHKQTN-WCJKSRRJSA-N 374.525 3.587 0 1 FHAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]21CCN[C@@H]2CCCC[C@H]21 962710003 OZWQNKNSTHFHML-ZQYQINFJSA-N 360.542 3.937 0 1 FHAF COc1ccc([C@@]2(c3ccc(C)cn3)NCCc3c(C(=O)O)cccc32)cc1 963136077 XPYRSVJPKGMDNS-HSZRJFAPSA-N 374.440 3.534 0 1 FHAF CCC(=O)C[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963175498 BRYXDYIHZHONGK-NHYWBVRUSA-N 363.763 3.542 0 1 FHAF COc1cccc(CO)c1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772572941 FHGJZTCELZXJIY-INIZCTEOSA-N 371.364 3.588 0 1 FHAF O=C(Cn1ccc2ncc(-c3cccc(C(F)(F)F)c3)cc21)N1CCC1 1857576806 LHYFLTYKAZTAJM-UHFFFAOYSA-N 359.351 3.954 0 1 FHAF Cc1ccc2oc(-c3c4c(=N)[nH]nc(O)c4nn3-c3ccccc3)c(C)c2c1 1857617175 PTWNXRVSEAJTJH-UHFFFAOYSA-N 371.400 3.964 0 1 FHAF CCOc1c(-c2ccc(OC)c(OC)c2)oc2cc(OC)ccc2c1=O 1857773235 UTAUMAWYUALVNA-UHFFFAOYSA-N 356.374 3.885 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCC(C)(C)CO 4273847 NIUBQNUJSBZVMX-IRXDYDNUSA-N 366.527 3.897 0 1 FHAF CCOC(=O)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 53243016 FBGPUQHNRKUKMC-GOSISDBHSA-N 371.502 3.744 0 1 FHAF CNc1ccc(-c2cc(=O)c3cc(OCCOCCF)ccc3o2)cc1 101591836 JOLORZBEBQKFGX-UHFFFAOYSA-N 357.381 3.867 0 1 FHAF CC(C)N(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2 66156831 CHVDZCLOELVALQ-AWEZNQCLSA-N 363.763 3.972 0 1 FHAF COc1cccc2c1C[C@H](NCCCc1c[nH]c3ccc(F)cc13)CO2 28821542 ICGOJGSVVSAUBL-INIZCTEOSA-N 354.425 3.842 0 1 FHAF O=C1Nc2ccccc2C2=N[C@@H](CN3CCC(Cc4ccccc4)CC3)CN12 22940664 QEMAUWRJYRWFKT-IBGZPJMESA-N 374.488 3.618 0 1 FHAF CCCCOCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)C=CC(=O)OC 2356706960 CLECXPHLYXJGEV-JZXOWHBKSA-N 356.503 3.541 0 1 FHAF CCCOc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 72118791 SKDWWHNOJYOBPB-MRXNPFEDSA-N 367.445 3.965 0 1 FHAF Cc1cc(-c2ccnc3[nH]ncc23)cnc1OCC12CCC(N)(CC1)CC2 1911576712 DWTASGLRYAARGP-UHFFFAOYSA-N 363.465 3.759 0 1 FHAF COc1cccc([C@H](C)Nc2nc(C)cc(N3C(=O)OC[C@@H]3C(C)C)n2)c1 142146925 ZMISTPBXTYUMLF-WMLDXEAASA-N 370.453 3.948 0 1 FHAF O=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3ccccc3)n12 147676440 QCMWMRDQBBXKAY-UHFFFAOYSA-N 366.424 3.954 0 1 FHAF O=C(Cc1nc(C(F)(F)F)cs1)c1cc(Oc2cncnc2)ccn1 96178193 JQOGYGMWVUVIRK-UHFFFAOYSA-N 366.324 3.565 0 1 FHAF O=C(NC1CCCC1)c1cn2c3c(cccc3c1=O)OC[C@@H]2c1ccccc1 95555776 FKTORJCFBBTXPW-LJQANCHMSA-N 374.440 3.656 0 1 FHAF Cn1c(N)nc([C@H]2C[C@H]2c2cccc(CCCc3ccccc3)c2)cc1=O 96907172 UDYPOCUTBUCGDW-PMACEKPBSA-N 359.473 3.809 0 1 FHAF C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(-c4cnco4)c3)c2N1 653900942 PCFCRYVUCIKPFE-GFCCVEGCSA-N 362.389 3.737 0 1 FHAF C[C@@]1(CCCCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604314 SMGHCAFALYFGGS-XLIONFOSSA-N 356.374 3.758 0 1 FHAF Oc1nc(O)c2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2n1 587071783 RKHMVJAWZPVUKG-UHFFFAOYSA-N 368.780 3.664 0 1 FHAF C[C@@H](O)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610492 GFFOQEAIRKUZCF-ZINOCKGTSA-N 368.410 3.692 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)nn1 587554443 XSWTUTSKTWKBHE-MAUKXSAKSA-N 354.749 3.539 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cccnc12 587592508 YZLSYWKFVGLBOC-LAUBAEHRSA-N 358.353 3.971 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn3ccnc23)N1 587770561 AMGKUCDMIYHFMY-HWPZZCPQSA-N 360.230 3.860 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(F)cnc4[nH]3)c2)c1 587231926 ILFJDGMQKLOQRF-UHFFFAOYSA-N 360.392 3.714 0 1 FHAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccnc4[nH]3)c2C1 587035378 VUUIWUKOBWSZKT-UHFFFAOYSA-N 356.451 3.980 0 1 FHAF CC[C@@]1(C2=NCCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616385 CTPJHSRDCVDZNP-DNVCBOLYSA-N 355.415 3.648 0 1 FHAF COc1cccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587126525 YCBXJNMQTLNJIT-UFBFGSQYSA-N 351.332 3.743 0 1 FHAF CC[C@]1(c2cnn(C)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583242 UWEZFKJJPYGSDF-WIYYLYMNSA-N 364.401 3.701 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)O)c2)N1 587828447 SQWHQOCMMZWSRF-XXFAHNHDSA-N 364.214 3.910 0 1 FHAF COc1ccc(/C=C/Cc2nc3cncc(Br)c3[nH]2)c(OC)c1 587930720 UPRJUZCRQGVBDH-ONEGZZNKSA-N 374.238 3.994 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(CSc1nncs1)CC2=O 587498126 YXBWDDNDVSIBKR-INIZCTEOSA-N 350.465 3.712 0 1 FHAF COc1nccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586997902 DVCQWFHCCCADBI-NSCUHMNNSA-N 374.194 3.628 0 1 FHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Cl)ccnc4[nH]3)cc2N1 587127040 QHHCABVGIQGDLS-MUWHJKNJSA-N 356.739 3.782 0 1 FHAF COc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1OC 587233980 UMEXSEYKRATHJV-NWDGAFQWSA-N 361.442 3.741 0 1 FHAF Cc1cc2c(cc1O)[C@](C)(c1cc3ccc(F)c(F)c3o1)N[C@H](C(=O)O)C2 963507051 HMNCMSMDKBAXSQ-VBKZILBWSA-N 373.355 3.587 0 1 FHAF CC(C)n1cnc2c(NCc3ccccc3)nc(/C=C\CCCO)nc21 14945873 MNVIEGNDCWOCAR-XFFZJAGNSA-N 351.454 3.805 0 1 FHAF O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1F)[C@@H]23 169333609 RAMXBPYKMDFNSS-DBQGFPOUSA-N 374.500 3.755 0 1 FHAF c1ccc(-c2ccc3nc(-c4cccnc4)c(CN4CCOCC4)n3c2)cc1 1857770205 KCQDUHQNGFHYBS-UHFFFAOYSA-N 370.456 3.896 0 1 FHAF COc1ccccc1CN1CCCC2(CCN(C(=O)c3ccco3)CC2)C1 3955808 IOMWHVGJYRMFGE-UHFFFAOYSA-N 368.477 3.807 0 1 FHAF C[C@@H]1C=C[C@](Cc2ccccc2)(C(=O)NCC2CC2)N1C(=O)c1ccccc1 7992810 IFCADGHBSJLEFU-KOSHJBKYSA-N 374.484 3.595 0 3 FHAF C[C@@H]1[C@H](c2ccc3c(c2)OCO3)O[C@@H](c2cc3c(cc2O)OCO3)[C@@H]1C 2356557704 YDYDLBZCPHFYFA-OCPVLIPCSA-N 356.374 3.934 0 1 FHAF CC(C)c1ccc(C(C)C)c(C(=O)C[C@H](SCC(=O)O)C(=O)O)c1 28472414 LIYXNOYPTOVXMO-INIZCTEOSA-N 352.452 3.777 0 1 FHAF CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 82141573 IPHMQMMYYPEPHI-GJZGRUSLSA-N 370.472 3.857 0 1 FHAF O=c1c2ccccc2c(Cc2ccc3c(c2)OCO3)nn1-c1ccccc1 40556728 PWQJQOKFGUBVEG-UHFFFAOYSA-N 356.381 3.705 0 1 FHAF C=C(CNC(=O)[C@@H](O)CCCCCCCCCCCCC)C(=O)OC 85893996 ZQZALSRIBAGOSY-SFHVURJKSA-N 355.519 3.894 0 1 FHAF biogenic CCN(CC)c1c(O)cccc1/C=C1/OC(=O)c2cc(OC)c(OC)cc21 2382217609 DWUDYDJEJJAYLO-LICLKQGHSA-N 369.417 3.924 0 1 FHAF CC(C)CNc1nccn2c(-c3ccc(C(=O)NC4CCC4)cc3)cnc12 299870864 WZCJFXPKWLNKRD-UHFFFAOYSA-N 363.465 3.747 0 1 FHAF CCn1c(NC(C)C)nc2c(C3CCN(C(C)C)CC3)csc2c1=O 299871429 YNGPOAAIQGLOLT-UHFFFAOYSA-N 362.543 3.886 0 1 FHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 587784409 GVAGLBAFAFQZRC-NEPJUHHUSA-N 372.222 3.664 0 1 FHAF O=C1C[C@@H](c2ccnc(N3CCOCC3)c2)Oc2c1ccc1c2CCCC1 587518608 MDXYLWFIEBYXSU-FQEVSTJZSA-N 364.445 3.504 0 1 FHAF CCOC(=O)/C(=C\N(C)C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103446 HFBRGEUMKYCAQS-AQTBWJFISA-N 372.424 3.912 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)C(C)C 586933757 XEURNJIGJQFMRO-QGZVFWFLSA-N 363.527 3.858 0 1 FHAF COc1cc(OC)c(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587522735 HLFCCZXLZAZEOG-SFHVURJKSA-N 354.402 3.995 0 1 FHAF CC(C)N(C)CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573941 VIDVUIGICFVZEN-GHTZIAJQSA-N 355.434 3.843 0 1 FHAF CSc1nccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587842251 DHSRJTKPNJOBKQ-XLKFXECMSA-N 368.275 3.724 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)NCc1ccccc1)CC2=O 587467748 CDQKJOOHSNJXHD-JOCHJYFZSA-N 367.445 3.775 0 1 FHAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C[C@@H]3COCCO3)nc2c1 586911093 VSKYIEVAFOJEGQ-MRVPVSSYSA-N 354.250 3.558 0 1 FHAF C[C@H](O)c1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587855365 VFBCJZVCKCEEKI-CYVIZDSUSA-N 371.275 3.722 0 1 FHAF COc1ccc(/C=C\Cc2nc3ccnc(Br)c3[nH]2)c(OC)c1 587930242 RIAGKYMBJATJSP-ARJAWSKDSA-N 374.238 3.994 0 1 FHAF O=C1C[C@@H](Cc2nc3ccc(O)cc3[nH]2)c2c(Br)cccc2O1 587004537 WFDIXWRWALEJDI-SECBINFHSA-N 373.206 3.666 0 1 FHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 587784410 GVAGLBAFAFQZRC-NWDGAFQWSA-N 372.222 3.664 0 1 FHAF CC(C)[C@@]1(Cn2cccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587758423 IYWDNHMJTWSXRN-SJKOYZFVSA-N 366.278 3.870 0 1 FHAF FC(F)(c1ccccn1)c1nc2cccc(I)c2[nH]1 587089589 FAAIYGZXLRYCAN-UHFFFAOYSA-N 371.128 3.703 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCN(Cc2ccccc2)[C@H]1C 963636119 PINXKADVWSUYLO-QQMNAOGKSA-N 366.505 3.728 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)C1=C(C)N(C)c2nnnn2[C@H]1C 963224339 DRSZADJOEUUZHG-ZJTDPSCFSA-N 366.513 3.530 0 1 FHAF COc1ccc2oc([C@@]3(C)N[C@H](C(=O)O)Cc4cc(F)ccc43)c(C)c2c1 962915285 BNPXTHZFUWKOBV-UWJYYQICSA-N 369.392 3.751 0 1 FHAF O=C(NC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(C(=O)O)cc1 13673942 RSROBXJCWWEKJC-UHFFFAOYSA-N 353.161 3.654 0 1 FHAF CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CCCCC/C=C\Cc2ccccc21 169354697 WLMKUHSUSVRAIJ-ZWFYQYKBSA-N 372.461 3.633 0 1 FHAF Cc1c(C(=O)NCc2ccccc2)[nH]c2cccc(OC3CCNCC3)c12 1857538254 KVTLDQYVLLZOFD-UHFFFAOYSA-N 363.461 3.537 0 1 FHAF Cc1cc(CCCCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 3590245 GYDUGGZREMFNJA-UHFFFAOYSA-N 355.442 3.582 0 1 FHAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4212174 MBYMWWBZTIIEEU-FFZOFVMBSA-N 359.514 3.767 0 1 FHAF CCCCNC(=O)CCCN1C(=O)c2ccccc2Sc2ncccc21 6797088 WOAIWZUXOSNLLR-UHFFFAOYSA-N 369.490 3.890 0 1 FHAF COc1cc([C@@H]2CN=C(c3ccnc4ccccc34)O2)cc(OC)c1OC 27524062 KIMJCRBCYHYOAG-IBGZPJMESA-N 364.401 3.779 0 1 FHAF O=C(O)CCc1c(C(=O)O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 103297405 QBBWSGUOOGKLSA-UHFFFAOYSA-N 369.217 3.921 0 1 FHAF COc1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccccn5)C[C@@H]3N4)cc2)c1 100108506 NGRUIDFBRMTHCY-BKFWDETESA-N 371.484 3.697 0 1 FHAF COCCOc1ccc2oc(-c3cc4ccccc4cn3)c/c(=N\O)c2c1 117378342 BNKDOSFMNNDRCV-PTGBLXJZSA-N 362.385 3.963 0 1 FHAF COC(=O)c1ccc2c(c1)[nH]c1c(C(N)=O)cc(-c3cccc(OC)c3)cc12 113194754 IRLOVAXNGYTAAT-UHFFFAOYSA-N 374.396 3.882 0 1 FHAF COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](c3ccc(C)c(C)c3)CN1CC2 28821841 CQWXMPWVHXTPMA-HKBOAZHASA-N 366.505 3.735 0 1 FHAF O=C(CCc1ccc(-c2ccc(O)cn2)cc1)Nc1ccccc1C(=O)O 28863432 DBUJQGWODKTTNM-UHFFFAOYSA-N 362.385 3.724 0 1 FHAF C[C@](O)(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 28823879 BFVUBWWYMQYGAJ-QFEQRGIUSA-N 354.494 3.856 0 1 FHAF in-vitro 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]1CC3 2356804168 XRRCLTQBYILCQH-RGBVOKHJSA-N 360.494 3.970 0 1 FHAF Cn1cc(C(=O)O)nc1Cc1cc(Cl)ccc1OCc1ccccc1 29128724 FPDKKUGVVFGCLT-UHFFFAOYSA-N 356.809 3.942 0 1 FHAF O=c1c2ccc(Cl)cc2n(-c2ccccc2)c(=O)n1Cc1ccccc1 95564156 CCFFGSPBTHQDMH-UHFFFAOYSA-N 362.816 3.854 0 1 FHAF Cc1cccc(CCc2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)c1 96906567 QHOPONIHQQDBSQ-PMACEKPBSA-N 359.473 3.727 0 1 FHAF CCn1cc(-c2ccccc2)nc1[C@H]1C[C@@H]1c1nc2c(C)ncc(C)n2n1 96177980 CISKNCAOUCLBQG-IRXDYDNUSA-N 358.449 3.896 0 1 FHAF O=S(=O)(c1cccc(F)c1)c1ccc2oc3c(c2c1)[C@H]1CC[C@@H](C3)N1 143511110 APMPJARELPLLHM-BLLLJJGKSA-N 357.406 3.754 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)nc1 587552926 TVDIPWCUQCBQQY-YOEHRIQHSA-N 354.749 3.539 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc3c(c1)CCC3)CC2=O 587489746 OVSSOAFAKCRVIA-JOCHJYFZSA-N 366.413 3.779 0 1 FHAF O=C(NCc1nc2cc(F)c(F)c(F)c2[nH]1)c1cccc(C(F)(F)F)c1 587111184 KLKZHHJUGKMIKY-UHFFFAOYSA-N 373.256 3.929 0 1 FHAF Cc1nccnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341300 WABLTLJCTDWMBK-WIYYLYMNSA-N 364.376 3.904 0 1 FHAF COc1ccc([C@]2(/C=C\N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587386344 IKLYJPVLZIISJG-YUQDSPFASA-N 352.434 3.522 0 1 FHAF CCCc1c(O)ccc2c1OC1(CCN(CC(F)(F)F)CC1)CC2=O 587461296 LZJXHCPRRLVJDT-UHFFFAOYSA-N 357.372 3.707 0 1 FHAF CC1=C(c2ccc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)NNC(=O)C1 586890802 PHBSZIBEPRSGGV-MMAMFSCZSA-N 362.477 3.786 0 1 FHAF C=C(C(=O)O)c1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O 587942864 DIAAJLIKNBKFCD-UHFFFAOYSA-N 356.205 3.937 0 1 FHAF CCn1nc(C)c(C(=O)c2c(C(=O)OC)[nH]c3c(C)cc(Cl)cc23)c1C 587627237 QNSWDCZXTSQZRM-UHFFFAOYSA-N 373.840 3.981 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)O)ccc1OC)CC2=O 587485089 YPVWMSSBHLYVLW-GOSISDBHSA-N 356.374 3.758 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(C)(C)C)nn2)N1 587758243 IDPPIZUYVHZUFJ-RFAUZJTJSA-N 367.266 3.558 0 1 FHAF CCOC(=O)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622102 AOTLBEAAAXEOSI-UHFFFAOYSA-N 358.142 3.921 0 1 FHAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587773636 RBSVCUWLFXNHDQ-DYZYQPBXSA-N 365.246 3.790 0 1 FHAF CNc1cccc(-c2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)c1 587233599 UBJPAIJLGIVQBF-UHFFFAOYSA-N 367.416 3.914 0 1 FHAF COc1ccc2c(c1)[C@]1(CCO2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962627441 PIMUEHFPMYLNFQ-PEBXRYMYSA-N 369.461 3.615 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(=O)OC)c(OC)c2)N1 962940935 DGZUTBFOKGLIHF-VBKZILBWSA-N 364.445 3.977 0 1 FHAF Cn1c([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc2cc(Cl)ccc21 962919657 KHCRLGUDJXUBRE-MAUKXSAKSA-N 358.800 3.659 0 1 FHAF COc1ccc2[nH]c(-c3cnc4[nH]cc(-c5ccnc(N)n5)c4c3)cc2c1 1772578068 XBCKUDPRGSZKAN-UHFFFAOYSA-N 356.389 3.759 0 1 FHAF CN(C)CCN1C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 12671607 TZYDTPVLMWSHME-PDCCYFQNSA-N 374.569 3.658 0 1 FHAF COc1cc(NC(=O)CC(=O)Nc2cccc(C)c2)ccc1-c1cnco1 13441275 BIOXMABCPDQHQM-UHFFFAOYSA-N 365.389 3.626 0 1 FHAF OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(F)cc1)[C@@H]23 169333635 PBHAIJMKBRNJOF-NMIHRBCNSA-N 360.517 3.663 0 1 FHAF S=C(NCc1ccccc1)NN=c1c2c([nH]c3ccccc13)CCCC2 1857558923 GHGXCYPXBDQVRC-UHFFFAOYSA-N 362.502 3.527 0 1 FHAF COc1ccc(-c2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1F 1857583021 KZVVCHJZACSIRM-UHFFFAOYSA-N 358.369 3.917 0 1 FHAF Cc1ccccc1S(=O)(=O)Nc1ccc2c3c(cccc13)C(=O)N2C 1857594225 JIMYFVRKZCHRGL-UHFFFAOYSA-N 352.415 3.539 0 1 FHAF CC(=O)Nc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1 1857616603 MOSFDQHIJVVSRE-UHFFFAOYSA-N 359.227 3.896 0 1 FHAF c1ccc2[nH]c(-c3nc4ccccc4c(=NCCN4CCCC4)[nH]3)cc2c1 1857744932 SVKIQRDQBOWLNO-UHFFFAOYSA-N 357.461 3.708 0 1 FHAF COc1ccc(S[C@H]2CC(=O)N2C(=O)N[C@H](C)c2ccccc2)cc1 213674504 UFACELIHZSALPQ-ACJLOTCBSA-N 356.447 3.817 0 1 FHAF C[C@@H](NC(=O)[C@@]1(C)CON=C1c1ccc(N(C)C)cc1)c1ccc(F)cc1 769658 OJFAIZGPTNGMIE-SZNDQCEHSA-N 369.440 3.510 0 1 FHAF O=S(=O)(Nc1ccc2ccccc2c1)c1ccc2c(c1)CN[C@@H](CF)C2 13581920 HYQXVQXNLSTYDD-LJQANCHMSA-N 370.449 3.624 0 1 FHAF Fc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn12 13801504 ZMEPAGFWARRSBT-UHFFFAOYSA-N 360.436 3.949 0 1 FHAF CCN(CC)CCN1C(=O)c2cccc3c2c(cc2nc(C)sc23)C1=O 28477117 NJQUNYNFNIHJGS-UHFFFAOYSA-N 367.474 3.696 0 1 FHAF COCCOc1ccc2c(Nc3cc(O)c(Cl)cc3F)ncnc2c1 28704468 BIKCGYWZXMEPEQ-UHFFFAOYSA-N 363.776 3.897 0 1 FHAF CCNCc1cncc(/C=C/c2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 28896787 UGFPMKJYLKNPOF-SNAWJCMRSA-N 374.448 3.637 0 1 FHAF O=C1CCCC[C@@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 40394453 IGFIMXQETAEFKU-LBPRGKRZSA-N 355.765 3.612 0 1 FHAF CC12CCCc3cc(C(=O)Nc4ccc(C(=O)O)nc4)cc(c31)CCC2 59027570 BKEMURKAOWLWQC-UHFFFAOYSA-N 350.418 3.962 0 1 FHAF CN1CCC[C@H]1CCNCc1coc(-c2ccc(Br)cc2)n1 72184572 MIXWIWWCGUBVQW-INIZCTEOSA-N 364.287 3.678 0 1 FHAF Cc1ccccc1CCc1cccc([C@@H]2C[C@@H]2c2cc(=O)n(C)c(N)n2)c1 96906347 BHYJBJADXMKFPI-PMACEKPBSA-N 359.473 3.727 0 1 FHAF COc1cc(-c2cnc3sc(NCc4cccs4)nn23)ccc1O 116775566 SZQNHTRBKSRVPF-UHFFFAOYSA-N 358.448 3.846 0 1 FHAF CCCCn1c(O)c2n(c1=O)[C@H](c1ccncc1)c1[nH]c3ccccc3c1C2 169717780 CBVZEBAKPJDHEY-HXUWFJFHSA-N 374.444 3.574 0 1 FHAF O[C@@H](COc1cccc(-c2cccnc2)c1)CN1CCc2ccccc2C1 219745727 FIEYYUJBSDAZAJ-JOCHJYFZSA-N 360.457 3.547 0 1 FHAF O=C1c2ccccc2-c2cc(C3=CC=CN4C=CN[C@@H]34)nc3ccc(O)c1c23 586990247 XFHUGPAZLZDLRT-HSZRJFAPSA-N 365.392 3.765 0 1 FHAF CC(C)(Cl)c1nc2c(I)cnc(Cl)c2[nH]1 587009176 YGENHXJXIUHVAL-UHFFFAOYSA-N 355.994 3.690 0 1 FHAF CC[C@@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336786 APAWEDOYRZOACK-WIYYLYMNSA-N 366.392 3.929 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1ccc(Cl)cn1)O2 587379781 KZWQILJWEDNYQA-IBGZPJMESA-N 374.824 3.741 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)C[C@H]1C)O2 587396258 REJGTZIGIJREMI-ZHRRBRCNSA-N 350.462 3.823 0 1 FHAF CCOC(=O)C[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587401261 VDWXEQVRXVTLTC-NRFANRHFSA-N 353.418 3.700 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(F)cc1)[C@@H](C2)C3=O 587429990 YHAWRCZYWKVYCS-XOBRGWDASA-N 350.349 3.713 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c1ccc(F)c2C 587465479 DLBWYNZDWYKARX-FQEVSTJZSA-N 355.365 3.605 0 1 FHAF CCCc1c(O)ccc2c1O[C@](c1cn(C)nc1C)(C(F)F)CC2=O 587466019 LGEKSFPXSQDJPM-GOSISDBHSA-N 350.365 3.512 0 1 FHAF CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587578798 BCFKSOZWBWSMDT-FXAWDEMLSA-N 350.374 3.620 0 1 FHAF CC1(C)[C@H]2OCC[C@H]2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587608445 LBJPOBOSVGKMRZ-BNZQBYKSSA-N 352.386 3.538 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)o2)N1 587758099 WZQFOTCJUOXDCJ-ABKXIKBNSA-N 353.235 3.871 0 1 FHAF COC(=O)C[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587809431 RJFUELASYVIQLF-YOIRWDDOSA-N 370.262 3.681 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(C2CC2)N1 587824909 BDERMTCMBIRSGT-JDNHERCYSA-N 356.235 3.593 0 1 FHAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587831005 VBKTYKAJMJPSML-GLEZIHRCSA-N 368.202 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O=C(O)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351978 LLYSJOJREONJNS-LZHZSBQWSA-N 370.376 3.904 0 1 FHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(C(F)(F)F)[nH]n1 587658921 VDZZBOUFXFOLNK-UHFFFAOYSA-N 374.297 3.934 0 1 FHAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587585831 GSDGYWVQYAGBPN-RXVVDRJESA-N 363.369 3.673 0 1 FHAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 586901440 KSVSWKLZQTWLEZ-UHFFFAOYSA-N 359.451 3.779 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)CCOC)nc1)CC2=O 587470898 WWANZIXFQVSPBH-IBGZPJMESA-N 370.449 3.529 0 1 FHAF O=C1CC2(CCN(CC(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 587496434 BVRNQEFBSNLHKM-UHFFFAOYSA-N 353.384 3.928 0 1 FHAF CCc1ccccc1NC(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587387622 QPXVURXIXMKBMO-NRFANRHFSA-N 352.434 3.892 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2C2CC2)N1 587767963 ZHELYEXUIFWXSN-XLFHBGCDSA-N 364.262 3.823 0 1 FHAF Oc1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 586999884 CXQUPHAGQQPYIB-SNAWJCMRSA-N 373.206 3.973 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccccc1F)CC2=O 587467435 SDOSLOKIKDQKMY-OAQYLSRUSA-N 372.392 3.908 0 1 FHAF C=Cn1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587763644 KWRRJNVSTSFBBA-ABKXIKBNSA-N 350.235 3.817 0 1 FHAF Oc1nc2cc3nc(-c4cc5ccc(Br)cn5c4)[nH]c3cc2[nH]1 587006384 MRJAWNMLIIAEQH-UHFFFAOYSA-N 368.194 3.827 0 1 FHAF Oc1nc(O)c2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2n1 587070405 GWRPEKYLBZZWJQ-UHFFFAOYSA-N 374.187 3.800 0 1 FHAF CCCn1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576470 JDQNDGNWTIFVBD-FXAWDEMLSA-N 350.374 3.702 0 1 FHAF COc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587567654 INVSGMFNPHGNQD-QFBILLFUSA-N 367.332 3.638 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cc(C(=O)OC)ccc1N 963235593 XBBOTHBJSDNRES-IVZQSRNASA-N 352.478 3.976 0 1 FHAF COc1cc2sc(C(=O)C[C@H](C)C(=O)O)cc2cc1Br 1857566801 SYEHTDLZLAQNCY-ZETCQYMHSA-N 357.225 3.966 0 1 FHAF CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4C[C@@H](F)[C@H](F)C4)c3)c2c1 1772608885 PMQVEEZRJCKTIY-HZPDHXFCSA-N 358.392 3.908 0 1 FHAF C=Cc1ccccc1S(=O)(=O)NCCNc1ccc2ccccc2c1 1772652771 PUCCACVGXACWDY-UHFFFAOYSA-N 352.459 3.873 0 1 FHAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@H]2O1 13475495 JMNTUMBNMVKSOA-ICSRJNTNSA-N 353.422 3.598 0 1 FHAF NS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(O)cc2)cc1 13477360 PHPRYDLGOXSUBX-UHFFFAOYSA-N 364.426 3.855 0 1 FHAF O=C(CCc1c[nH]cn1)NCC[C@@H](c1ccc(Cl)cc1)c1ccccn1 13490245 BTMIKSCMGOOYRY-SFHVURJKSA-N 368.868 3.729 0 1 FHAF CCc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C 14944702 MKHPRZXKLFMFAP-UHFFFAOYSA-N 364.453 3.756 0 1 FHAF Cc1cccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)c1 13677008 MUNPGOLFDRYQGK-UHFFFAOYSA-N 351.402 3.517 0 1 FHAF CCCN(CCCCN1CCCCC1)[C@@H]1COc2cccc(OC)c2C1 13737116 MLJJVRAVVNCLMN-IBGZPJMESA-N 360.542 3.977 0 1 FHAF C/C=C1\CO[C@](C(=O)NCc2ccccn2)(C(F)(F)F)C=C1C=C(C)C 13828934 UYMACEKYVJRSDR-DCHWLEDHSA-N 366.383 3.868 0 1 FHAF COC(=O)N1CCc2cc(OC)c(OC)c3c2[C@H]1Cc1ccc(OC)cc1-3 14775350 GIUSYZFFMYWEAY-MRXNPFEDSA-N 369.417 3.601 0 1 FHAF endogenous,in-man COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1Br 26733996 CDSKYZNOPRUMAE-AWEZNQCLSA-N 356.304 3.798 0 1 FHAF O=C(OCc1ccc(O)cc1)N1CSC(=S)N(Cc2ccccc2)C1 27618425 WYPOLZMFZQNXQO-UHFFFAOYSA-N 374.487 3.780 0 1 FHAF CCCN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 27853939 HZIYXEALEDKFGV-IRXDYDNUSA-N 351.402 3.751 0 1 FHAF CC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28335901 KZQWYRRAKXJLDE-UHFFFAOYSA-N 362.414 3.647 0 1 FHAF Nc1nc(Nc2ccc3c(c2)CCC3)[nH]c(=O)c1CCCc1ccccc1 28570863 OFDODKPLMYJKSA-UHFFFAOYSA-N 360.461 3.760 0 1 FHAF COc1ccc(-c2snnc2-c2cc(OC)c(OC)c(OC)c2)cc1 28820894 SIWFHHPZEQONJG-UHFFFAOYSA-N 358.419 3.907 0 1 FHAF CNC(=O)c1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1 29135822 PJNQBLFLEXJWHF-UHFFFAOYSA-N 350.374 3.642 0 1 FHAF COc1cccc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 35859018 LRYKHTDVFXMHEH-QHCPKHFHSA-N 371.440 3.602 0 1 FHAF CN1C(=O)[C@@]2(Nc3ccccc3S2)c2cc(OC(F)(F)F)ccc21 49053650 GHSHSDRDYUMTFY-OAHLLOKOSA-N 352.337 3.932 0 1 FHAF Cc1ccc(CNCC2(F)C[C@H]3CC[C@H](C2)N3C(=O)c2ccsc2)nc1 102774705 PYKBXZYCKZDPNW-QZTJIDSGSA-N 373.497 3.717 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 254091758 FHWOSRUUSHMKKA-KHNHKFQDSA-N 356.466 3.595 0 1 FHAF Brc1ccc(NCCc2nc3cc4c(cc3[nH]2)OCO4)cc1 586995217 GXCUVMWVMIKBIY-UHFFFAOYSA-N 360.211 3.709 0 1 FHAF O=C(NCc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1cscn1 587028822 ZCIBEOJHFXCZBT-UHFFFAOYSA-N 350.403 3.742 0 1 FHAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cncnc2[nH]1 587035064 NKQHHADJMMSXNC-GFCCVEGCSA-N 351.435 3.839 0 1 FHAF Cc1nc2[nH]c(C(C[C@@H]3CCCN3)=C(F)F)nc2cc1Br 587088769 RCIYQJPFGCMUEL-QMMMGPOBSA-N 357.202 3.779 0 1 FHAF CC[C@@H](Oc1ccccc1F)c1nc2nc(Br)c[nH]c-2n1 587155194 KKWWHSIUPXOMOR-SECBINFHSA-N 351.179 3.736 0 1 FHAF N[C@@H]1CC[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)C1 587246131 DLQBNKBPALLENN-NKWVEPMBSA-N 359.065 3.683 0 1 FHAF CCOC(=O)[C@@H]1C[C@@H](C(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442526 PXEHEBPTTWQYOD-DJPHASSASA-N 372.461 3.817 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)sc(=O)n3C)CC2=O 587500090 QIGAXYZZZSSRFA-KRWDZBQOSA-N 369.442 3.965 0 1 FHAF COc1cc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587524235 KTODUBLIFPJIMI-GOSISDBHSA-N 354.402 3.995 0 1 FHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1N 587575460 BWMQFQFFELCNGN-RXVVDRJESA-N 363.369 3.686 0 1 FHAF CCCn1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576471 JDQNDGNWTIFVBD-PXNSSMCTSA-N 350.374 3.702 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCn2cccn2)N1 587759080 KDFFFTISVBGRCN-MEDUHNTESA-N 352.251 3.624 0 1 FHAF CC(C)N1C[C@@H](C)[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587759613 HBKIOSLBRZFUFF-PSTGCABASA-N 355.295 3.678 0 1 FHAF CCn1ncc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587763746 LTPGFCMAJBICAT-DYZYQPBXSA-N 366.278 3.911 0 1 FHAF Cc1cc(C)n(C[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587767368 YKZPUSHZLMFHGF-OTYXRUKQSA-N 352.251 3.677 0 1 FHAF N[C@@H](Cc1ccccc1)C(=O)OB(Cc1ccccc1)Cc1ccccc1 957558461 COFQPTOHECPDFR-QFIPXVFZSA-N 357.262 3.655 0 1 FHAF Cc1cc2c(cc1F)[C@](c1cc(F)cc(F)c1)(c1cccnc1N)NCC2 962379966 WMAKPLFGMGNJGT-NRFANRHFSA-N 369.390 3.827 0 1 FHAF Cc1cccc([C@]2(c3cccc(F)c3)NCCc3nc4ccccn4c32)n1 962986436 UBBHYFUFRSFWCG-QFIPXVFZSA-N 358.420 3.614 0 1 FHAF NCCN(C(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)cc1 1772631521 YSQYNQGPALODNQ-UHFFFAOYSA-N 364.701 3.641 0 1 FHAF CCN(CC)Cc1ccc(-c2ccc3c(Cl)cc(C(N)=O)n3n2)cc1 2382223052 KIYNJNGEZBKLLJ-UHFFFAOYSA-N 356.857 3.595 0 1 FHAF Cc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c(Cl)c1 3030661 CGJPFBJCHGHBGR-UHFFFAOYSA-N 361.854 3.675 0 3 FHAF CN(Cc1ccccc1)C(=O)C[C@]1(C)N=C(c2ccccc2Cl)N(C)O1 74374439 KKRDAPCNPXQLNO-HXUWFJFHSA-N 371.868 3.729 0 3 FHAF C[C@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2cccnc2)nc2ccccc21 95602359 NETBHLJARBBERR-CQSZACIVSA-N 367.412 3.944 0 3 FHAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)Nc2ccccc2F)C1=O 200051687 YHIBPYBZQZDNML-LJQANCHMSA-N 369.440 3.837 0 3 FHAF COc1cc2c(cc1OC)[C@@H](C)[C@H]1c3cc4c(cc3CCN1C2)OCO4 5372962 WBOKFUREGOQWPZ-GTJPDFRWSA-N 353.418 3.649 0 1 FHAF CC(=O)Oc1cc2sc(-c3ccccc3)cc(=O)c2cc1OC(C)=O 5858401 LILWGOSWVMYOBJ-UHFFFAOYSA-N 354.383 3.779 0 1 FHAF O=S(=O)(c1ccccc1Cl)n1cc(C2=CCNCC2)c2ccccc21 28121344 WJCGMHIIDQGXLP-UHFFFAOYSA-N 372.877 3.908 0 1 FHAF CCS(=O)(=O)c1ccc(OC)c(-c2ccc([C@H](C)N3CCCC3)[nH]2)c1 28237765 BRDXGAAIKJJGNB-AWEZNQCLSA-N 362.495 3.641 0 1 FHAF O=C1CCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1 38620743 BBYWUDQSMGGJAN-UHFFFAOYSA-N 363.461 3.564 0 1 FHAF COc1ccc(C2=NO[C@H](Cc3ccc4c(c3)OCO4)CC2)cc1OC 40914204 FFXGVTJIPZPTDJ-HNNXBMFYSA-N 355.390 3.558 0 1 FHAF O=C(N1CC[C@@]2(c3c[nH]c4ncccc34)C[C@@H]12)C1(c2ccc(F)cc2)CC1 68197805 VVJOKHURAIJLBE-GCJKJVERSA-N 361.420 3.676 0 1 FHAF O=C1NC(C2CC2)=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(O)c2)N1 73310931 AFEFJZMJUZVMEC-IBGZPJMESA-N 370.449 3.534 0 1 FHAF COc1cccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)c1 118597482 QWQFGAWZZRDXJZ-UHFFFAOYSA-N 372.469 3.883 0 1 FHAF CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12CCN(C)c1ccccc12 141825185 RPUYDKPZKMDJFX-LJQANCHMSA-N 373.428 3.915 0 1 FHAF Nc1ncc(-c2cc([C@@H]3CCOC3)n(C3CC(F)(F)C3)n2)cc1Cl 146486652 YCWPKIULCHKIMZ-SECBINFHSA-N 354.788 3.655 0 1 FHAF O=C(OC1C2CC3CC(C2)CC1C3)N1CCC(CO)(c2ccccc2)CC1 147391047 WEJDNNCKEWKRDO-UHFFFAOYSA-N 369.505 3.974 0 1 FHAF CC1=NC(=O)N[C@H](c2ccc(O)cc2)[C@H]1C(=O)OC1CCCCCCC1 169687888 MRFXDWPEGGXWFA-ZWKOTPCHSA-N 358.438 3.890 0 1 FHAF CC(=O)OCC1=C[C@H]2C[C@H]3[C@]1(CC[C@@H](C)[C@]3(C)CCC1=CCOC1=O)CO2 238765211 NWYPPNZFJFZBKD-MHMMHEKKSA-N 374.477 3.581 0 1 FHAF Cc1ccc2nc(C)c(C(=O)NCc3ccc(-c4ccncc4)cc3)n2c1 473087995 NCRWNPXJXVGPCK-UHFFFAOYSA-N 356.429 3.943 0 1 FHAF Cc1ccc(C[n+]2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1 473160640 YWXDWURUBMGRIF-UHFFFAOYSA-O 370.476 3.785 0 1 FHAF Cc1nccc2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc12 587019865 YKAABFCGSIJCCQ-UHFFFAOYSA-N 355.448 3.627 0 1 FHAF Cn1cc(-c2ncc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)s2)cn1 587021341 IMGXFOXFFKOOJI-UHFFFAOYSA-N 350.329 3.501 0 1 FHAF Cc1onc(-c2nc3c(=N)[nH]ccc3[nH]2)c1COc1ccc(Cl)cc1 587075424 HYOYDVLPQFFNBV-UHFFFAOYSA-N 355.785 3.566 0 1 FHAF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cn1 587086761 DTVZPNCELKYUDC-UHFFFAOYSA-N 365.780 3.522 0 1 FHAF N=c1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c[nH]1 587121680 DJDHSVLWFOQBBK-UHFFFAOYSA-N 354.357 3.702 0 1 FHAF Nc1ccc(-c2ccc3nc([C@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)cc1N 587158885 YPLDLQRIDMJLBO-NYHFZMIOSA-N 373.435 3.875 0 1 FHAF Fc1ncc(Br)cc1-c1nc2ccc(Br)nc2[nH]1 587178212 VHHAXNRXSNKPSI-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF COC(=O)c1[nH]c2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587397560 XEADZSMZKCJAAY-INIZCTEOSA-N 350.374 3.552 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)CCOC)nc1)CC2=O 587470900 WWANZIXFQVSPBH-LJQANCHMSA-N 370.449 3.529 0 1 FHAF Cc1ccc(-c2ccc(OCc3ccc4c(O)nc(O)nc4n3)cc2)cc1 587556764 YRTQJHFEOLYHRM-UHFFFAOYSA-N 359.385 3.990 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1COc1cccc(F)c1 587574433 ZYJDMGUWEAHDDB-MOPGFXCFSA-N 366.344 3.941 0 1 FHAF Cn1cc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc2n1 587579246 CXGAZLUYAFESGB-KNQAVFIVSA-N 372.380 3.982 0 1 FHAF CC(C)CCOC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598449 UTUZRPHOFGKLAS-DYESRHJHSA-N 370.401 3.702 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COCc1ccccc12 587607169 GIFABHJETUEKGO-UGKGYDQZSA-N 360.365 3.780 0 1 FHAF CC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)c1 587748614 ANXCVTCFNLINOF-HUTHGQBESA-N 365.246 3.753 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2nccn2C)(C2CC2)N1 587756562 SCKBJEPSLAUUCD-QGHHPUGFSA-N 364.262 3.510 0 1 FHAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587767267 AGSLVYDOEYLNLT-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF COC(=O)c1cc2[nH]c(COC/C=C/c3ccccc3)nc2cc1OC 587781130 PXTYVCGAQGNJKP-RMKNXTFCSA-N 352.390 3.588 0 1 FHAF CCc1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587793230 QXGUTHNIXDEKLH-BCTVWOGZSA-N 352.251 3.806 0 1 FHAF CCN(CC)CCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862457 OMPFDIJQMKNJRQ-UHFFFAOYSA-N 369.387 3.950 0 1 FHAF COc1cc2c(cc1OC)[C@@H](c1cccc3cn(C)nc13)N(C)[C@H](C)C2 962635941 VEQVTZDSAGAUSR-LRTDBIEQSA-N 351.450 3.556 0 1 FHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2scnc2C2CC2)N1 962964223 JRYXAOVEDVAFDS-IINYFYTJSA-N 370.808 3.640 0 1 FHAF Cc1cc(C(=O)O)nn1Cc1ccc(Cl)c2cc(-c3ccccc3)nn12 1772630894 ZPUTURLQDGUCTE-UHFFFAOYSA-N 366.808 3.906 0 1 FHAF CCN(CC)CCNC(=O)c1cc(OC2CCCC2)nc2ccccc12 1857562202 NVQFODXIPNAHAI-UHFFFAOYSA-N 355.482 3.628 0 1 FHAF O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCC2=Nc3ccccc3CN21 1857769279 OHPYYRRWKIMXIF-FQEVSTJZSA-N 358.445 3.535 0 1 FHAF O=c1cc(Sc2cccc(-c3ccc(F)c(Cl)c3)c2)nc(O)n1O 1857774678 CNQIIUBPTBOHJU-UHFFFAOYSA-N 364.785 3.797 0 1 FHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(OC)C[C@@H]12 2356629227 VZDRWGCKZZURIO-HAEALKDOSA-N 362.466 3.927 0 1 FHAF COc1ccc(OC)c2c(N3C[C@H](C)O[C@@H](C)C3)cc(C(F)(F)F)nc12 13147454 IQAONXATWUITBO-QWRGUYRKSA-N 370.371 3.884 0 3 FHAF CCNC(=O)[C@@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 61903001 LJONVXKBOBXTEE-HXUWFJFHSA-N 364.489 3.583 0 3 FHAF CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 61905745 GKMZBCUVNFETAM-LJQANCHMSA-N 350.462 3.732 0 3 FHAF CC(C)(CO)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773672 BINFSSHJFYHIJC-UHFFFAOYSA-N 374.437 3.958 0 1 FHAF COc1ccc(Cl)cc1N1CCN(C2C[C@H]3CCC[C@H](C2)N3C)C1=O 100797974 ORXGEDDDAKFJGM-HUUCEWRRSA-N 363.889 3.606 0 1 FHAF CCC(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 22460275 ZOMSSSRBLWJELL-DYESRHJHSA-N 371.550 3.522 0 3 FHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@@H](C2)[C@@H]1C[C@H](C)C(=O)C3 29216139 JKRWGJJCQQNKLV-RJCMWMPSSA-N 353.506 3.979 0 1 FHAF C[C@]1(C(=O)NCCc2c[nH]c3ccccc23)CCN1CC1CCCCC1 61898641 QMOGJUXIMUPKIX-JOCHJYFZSA-N 353.510 3.871 0 3 FHAF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]3CC[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@H]12 26395858 YJVVSONFMRLWTH-NAWYPXDHSA-N 359.510 3.926 0 1 FHAF CC(=CCCC1=C[C@H](O)OC1=O)C[C@H](O)C[C@@H](C)CCCc1ccoc1 2356665305 BJFBZKHHDKIUIC-CWFSZBLJSA-N 362.466 3.908 0 1 FHAF O=C(Nc1ccccc1)N1CCN(Cc2ccccc2Br)CC1 38209056 IVEJCWGYTDCXDP-UHFFFAOYSA-N 374.282 3.799 0 1 FHAF CN1[C@H]2CC[C@@H]1[C@@H](CO)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 34891958 DHPAYGMVHAIWBY-BQJUDKOJSA-N 373.443 3.914 0 1 FHAF C=CC1=C(C(=O)Nc2ccccc2OC)[C@@H](c2ccc(OC)cc2)OC1 73223756 JQPQVUGVMQCVGG-HXUWFJFHSA-N 351.402 3.896 0 1 FHAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](CO)[C@@]2(C)C[C@@H](O)c1ccoc1 15157342 MDRPZJALROIKMT-CXCDTWTDSA-N 362.466 3.627 0 1 FHAF biogenic COc1ccc(/C=C2\CO[C@H](c3cc(OC)cc(OC)c3)[C@@H]2C(=O)O)cc1 49070772 SUVKPLCUUSSDHW-SOBIMBLKSA-N 370.401 3.568 0 1 FHAF CC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C[C@H]1C 95564638 LJJAHPHAPWPSHP-MAODMQOUSA-N 371.502 3.972 0 3 FHAF CC(C)=CCC/C(C)=C\[C@H]1C[C@@H](C[C@H]2C(=O)[C@@H](O)CC[C@H]2O)[C@](C)(O)C1 238737297 ARWRGDYUCCALTP-OMRMVFIQSA-N 364.526 3.547 0 1 FHAF CC1(C)[C@@H]2CC[C@]1(C)[C@](C)(NC(=O)[C@@H]1CC(=O)N(C3CCCCC3)C1)C2 253684968 UCFMNAYGTGRZRO-ZPGKAZOCSA-N 360.542 3.889 0 1 FHAF CC(=O)OCC1=CCC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 86045498 MQSBUCVBSSNACN-MFMILTCTSA-N 350.462 3.987 0 1 FHAF biogenic O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nccn1C(F)F 587553658 GFMVBHMHNFEAAN-CJNGLKHVSA-N 358.300 3.687 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccsc1 587869179 BBYHCUFEXTVOAD-UHFFFAOYSA-N 367.352 3.917 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4OC(=O)[C@H]1C)[C@@H](C2)C3=O 587423519 UWRDBVZCEKFZGV-XWPQAIQASA-N 370.788 3.547 0 1 FHAF CO[C@H](C)COC1CCC(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 587950319 AYEJMLKYUMBLJA-WLYUNCDWSA-N 372.444 3.965 0 1 FHAF Cc1cnn(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587759347 KHXBLNRKTWMXKZ-BZNIZROVSA-N 352.251 3.543 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)cc1Cl)O2 587377436 IHVULFLNFJLBDZ-IBGZPJMESA-N 372.852 3.774 0 1 FHAF Fc1ccc(-c2nc3c(Br)nccc3[nH]2)nc1Br 587154716 DEXGBRVSOOKEDX-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cncc(OC)c4[nH]3)c2)c1 587235863 QUNJDFZMGZQJOA-UHFFFAOYSA-N 372.428 3.584 0 1 FHAF O=c1c2cc(Cl)ccc2cnn1-c1nc(C2CC2)cc(C(F)(F)F)n1 587651603 NBPZJQKIHKHYLW-UHFFFAOYSA-N 366.730 3.725 0 1 FHAF COc1cc2c3c(c1)O[C@H](CC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587429180 OKYWQTRIKIHUEM-UKRRQHHQSA-N 361.438 3.505 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)c3ccccc32)N1 587819180 HFZHLSJXDHYMPB-XTZNXHDOSA-N 360.226 3.952 0 1 FHAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cccc(F)c2[nH]1 586953696 QHPSREWJPNLSAC-UHFFFAOYSA-N 374.422 3.626 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC)c2ccc(C)cc21 587478983 ANYSWLKXEMWXFG-JOCHJYFZSA-N 365.429 3.880 0 1 FHAF COc1ccc([C@H]2CC(=O)c3c(O)c(C)c(OC)c(C)c3O2)cc1OC 685935604 DVMTYNYBXLUSPY-OAHLLOKOSA-N 358.390 3.741 0 1 FHAF biogenic,in-vitro COc1cc2c(cc1OC)[C@@](C)(c1ccc3cn(C)nc3c1)N(C)[C@H](C)C2 962572637 PYDHVYRSJNECTR-JLCFBVMHSA-N 365.477 3.730 0 1 FHAF Nc1cccc([C@@]2(CCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)c1 963099489 HUKNTWSBAXIMCO-UTKZUKDTSA-N 354.425 3.537 0 1 FHAF CN1CCc2c(Br)cccc2[C@@H]1c1c(Cl)ccnc1N 963289219 JUNPNFDBFUQVRQ-CQSZACIVSA-N 352.663 3.657 0 1 FHAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(Cc1ccc(F)cc1Cl)NCC2 962931683 OTGDCHQTZOAYFI-FQEVSTJZSA-N 360.860 3.785 0 1 FHAF CCOC(=O)c1ccc2ccc(Oc3ccnc(C(=O)NC)c3)cc2c1 1772641982 LUQVJGPRKZKUFB-UHFFFAOYSA-N 350.374 3.563 0 1 FHAF Cc1nn(Cc2ccc(-c3nc4ccccc4n3C)cc2)c(C)c1CC(=O)O 1772633555 ZAAZZQJGOVVWDI-UHFFFAOYSA-N 374.444 3.729 0 1 FHAF CC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)cc1 5133849 GXPGBDXJPLZGMM-UHFFFAOYSA-N 355.419 3.602 0 3 FHAF Cc1cc(=O)c(Cc2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 12352382 ZEBIMMKAOCYZJL-UHFFFAOYSA-N 354.427 3.610 0 1 FHAF Oc1ccc(Cl)cc1Cc1nnc(O)n1-c1ccc(C(F)(F)F)cc1 13558793 YAQRBACEPDTBTK-UHFFFAOYSA-N 369.730 3.942 0 1 FHAF Cc1cccc(Nc2ccc(Nc3ccccc3NC3=NNC(=O)C3)nn2)c1 169310457 OGZHZQXNNQHDEA-UHFFFAOYSA-N 373.420 3.518 0 1 FHAF C[C@@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)CCSC(N)=N1 169686899 TXVBSFLZVRYNQQ-KRWDZBQOSA-N 360.870 3.654 0 1 FHAF COc1cc(Cl)ccc1O[C@@H](c1ccccc1F)[C@@H]1CNCCO1 29050083 LHOSACAWSLTLQJ-ROUUACIJSA-N 351.805 3.596 0 1 FHAF in-vitro COc1ccc([C@@H]2NC(=O)Nc3ccc(C(=O)Nc4ccccn4)cc32)cc1 66252044 ULGFHXHDACTUES-IBGZPJMESA-N 374.400 3.567 0 1 FHAF COC(=O)c1ccccc1OCC(=O)N[C@@H](C)c1cccc2ccccc12 7096854 SERCMSNCIHQGPP-HNNXBMFYSA-N 363.413 3.883 0 1 FHAF biogenic Cc1ccc(C(=O)N2CCO[C@@]3(C2)CC(C)(C)Oc2ccccc23)cc1 45288343 NUVXTSXVRNCLOG-JOCHJYFZSA-N 351.446 3.924 0 1 FHAF CCO[C@@H](Cc1cccc(C2=NO[C@H](c3ccc(OC)cc3)C2)c1)C(=O)O 40413093 MHNZLJLTXWIQEE-PMACEKPBSA-N 369.417 3.593 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(SC)cc2)C[C@H]2CC[C@@H]1N2CCCF 45290732 GBDCEJWZYYZILX-BGTYHANMSA-N 351.487 3.878 0 1 FHAF COc1ccc([C@H]2[C@H]3CCCCC3=NN2S(=O)(=O)c2ccccc2)cc1 42920336 HMWWVCYAMUKJNZ-ICSRJNTNSA-N 370.474 3.987 0 1 FHAF Cn1cc(-c2ccc(OCC3CC3)c(-c3cn(C)c(=O)c4[nH]ccc34)c2)cn1 146780811 MMMAOGOGNTXXRN-UHFFFAOYSA-N 374.444 3.723 0 1 FHAF O[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C1CCOCC1 586913528 MXLWWOJOURRUIB-GFCCVEGCSA-N 350.724 3.575 0 1 FHAF O=S(=O)(/C=C\c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1 586925312 YUUPIWBUQJCZHO-KTKRTIGZSA-N 368.336 3.906 0 1 FHAF COC(C)(OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345394 FHROYOUJSQGEPB-IEBWSBKVSA-N 360.381 3.658 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(Cn1nc(Cl)nc1Cl)CC2=O 587463018 UNONUQLTLWDODY-MRXNPFEDSA-N 370.236 3.667 0 1 FHAF O=C(O)c1cccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587043816 VMIMVQLWBNOXOH-ZDUSSCGKSA-N 373.821 3.570 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nn1)CC2=O 587474952 IMZUSLLJRFOHCH-HXUWFJFHSA-N 363.417 3.691 0 1 FHAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ncc[nH]c-2n1 587035574 VQHIKKFFYYGOPQ-GFCCVEGCSA-N 351.435 3.790 0 1 FHAF Cc1ccc(OCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 587565510 KRBSDDZPKDAPKS-UHFFFAOYSA-N 370.352 3.744 0 1 FHAF CC(C)n1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587762705 ZPVREAIDURVJDE-MGPLVRAMSA-N 352.251 3.989 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(CC2CC2)n1 587580774 JFYQOVSFLQWHOZ-WIYYLYMNSA-N 362.385 3.702 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1COc1cccc(F)c1 587574434 ZYJDMGUWEAHDDB-OALUTQOASA-N 366.344 3.941 0 1 FHAF C[C@@]1(c2ccc(O)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337646 MDSDAINRHBQELT-CTNGQTDRSA-N 365.360 3.906 0 1 FHAF Ic1cnc2nc(-c3cc4c(s3)CCC4)[nH]c2c1 587036547 FTPCSJCGYQNIBZ-UHFFFAOYSA-N 367.215 3.780 0 1 FHAF CCc1ccccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587275588 DRZCHAIYPYDPQL-UHFFFAOYSA-N 360.207 3.876 0 1 FHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cncnc2[nH]1)c1cccc(Cl)c1 587072337 USFXZTMECBSVGT-ZDUSSCGKSA-N 373.844 3.815 0 1 FHAF Cc1nnc(N2CCC3(CC2)c2ccc(F)cc2C[C@@H]2CCCN23)s1 963103956 GKZOWKOMCFWCOP-INIZCTEOSA-N 358.486 3.502 0 1 FHAF COc1ccc([C@@H]2NCCc3ccc(F)c(C)c32)nc1Br 962142994 HMRQWLJBVWVNPR-HNNXBMFYSA-N 351.219 3.535 0 1 FHAF Cc1cc([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)oc1C 962648899 XEEQLQIWFHCVLU-FGZHOGPDSA-N 364.445 3.807 0 1 FHAF COc1ccc([C@H]2C[C@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1OC 1772581479 IDFMMLAQDBJEIN-TUGWUVRDSA-N 366.429 3.598 0 1 FHAF COc1cc(C)nc(C[S@@](=O)C(c2ccccc2)c2ccccc2)n1 1772626833 OXMNZQJRXULMRY-RUZDIDTESA-N 352.459 3.832 0 1 FHAF CN1Cc2c(C3=C[C@H]4CNC[C@H]4C3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772596247 NLPLTKCFYIPFQR-UONOGXRCSA-N 360.436 3.942 0 1 FHAF CCOCCCNC(=O)CSCc1nc(-c2ccccc2C)oc1C 5057503 SLTPXFQUEZIIQN-UHFFFAOYSA-N 362.495 3.734 0 1 FHAF COc1ccc(-c2nc3ncccn3c2-c2ccc([S@](C)=O)cc2)cc1 5500324 QNROICIQMVMZAH-AREMUKBSSA-N 363.442 3.809 0 1 FHAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CN1CCCO1 13449182 MCSBDSOJYAQJFT-CQSZACIVSA-N 357.281 3.554 0 1 FHAF O=C(CC[C@@H]1CCCN(Cc2ccncc2)C1)NCc1ccc(F)c(F)c1 13596127 DIWJNFCZVMXODG-INIZCTEOSA-N 373.447 3.668 0 3 FHAF Cc1ccc(S(=O)(=O)N2[C@@H]3C=C[C@H](C3)[C@@H]2C(Cl)(Cl)Cl)cc1 168073021 KOPDSVZGKUSECV-NQBHXWOUSA-N 366.697 3.683 0 1 FHAF O[C@@H](Cn1cncn1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 1857652339 AKKHEAULOASSHP-ZDUSSCGKSA-N 361.232 3.754 0 1 FHAF Cc1nnc2sc(C(=O)N3CC(c4ccc(Cl)cc4)C3)c(N)c2c1C 1857755466 XNVVJZOZFIAIFB-UHFFFAOYSA-N 372.881 3.783 0 1 FHAF COc1ccc2nc(N3CCCc4ccccc4C3)cc(NCCN)c2c1 205301840 ATTSWKDUNZEPIG-UHFFFAOYSA-N 362.477 3.567 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCCOC 4214584 GTGWTYIHHBATTK-IRXDYDNUSA-N 352.500 3.915 0 1 FHAF COc1cccc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=N)oc12 6485088 XFAVPASSTZVDQD-UHFFFAOYSA-N 352.434 3.619 0 1 FHAF CCCn1c(-c2ccc(F)cc2)nc2c(N[C@@H](C)CN(C)C)nc(C)nc21 7991787 PFONNTWOBHORTG-ZDUSSCGKSA-N 370.476 3.713 0 1 FHAF CC1(C)C=Cc2c(cc3oc(-c4ccc(O)cc4O)cc(=O)c3c2O)O1 13414436 LXEJWVDCRDILQQ-UHFFFAOYSA-N 352.342 3.761 0 1 FHAF endogenous,in-man O[C@@H](c1ccccc1Cl)[C@](O)(Cn1ccnc1)c1ccccc1Cl 26009091 VSQNFWFFQKVCHN-ROUUACIJSA-N 363.244 3.811 0 1 FHAF CS(=O)(=O)Nc1ccc2c(c1)[C@H](c1ccccc1)Oc1cccc(O)c1-2 26179012 JNNJFIIQFCFXID-FQEVSTJZSA-N 367.426 3.913 0 1 FHAF CCCc1c(OCc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O 27895377 YYJLJJZPMKPCDT-UHFFFAOYSA-N 358.390 3.590 0 1 FHAF CN(C)C(=O)C[C@]1(O)CCC[C@@H](/C=C/[C@@H](O)CCCCc2ccccc2)C1 27903811 LQQOFRLZJKZLCO-KBCVUAANSA-N 373.537 3.716 0 1 FHAF CCCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1 28825030 QMDAVBXCILMTKZ-UHFFFAOYSA-N 353.466 3.911 0 1 FHAF CN1CCN(C(=O)Cn2c(-c3cccs3)cc3cc(Cl)ccc32)CC1 34870139 SKMZMWOBFYLZIH-UHFFFAOYSA-N 373.909 3.797 0 1 FHAF COc1cccc([C@H](O)C2CCN(Cc3ccc(F)cc3)CC2)c1OC 45498482 ACARRFRVNJRYJL-HXUWFJFHSA-N 359.441 3.789 0 1 FHAF COc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccc(C)cc3)C2)cc1 73351305 JHKMFBABCJZIJU-GOSISDBHSA-N 365.458 3.784 0 1 FHAF CC(C)=CC[C@@H](O)[C@@H](C)CCC/C(C)=C/CC[C@@H](C)C[C@@H](O)[C@@H](N)CO 96095122 ASNURABVVXFZSH-ZQBOEPNPSA-N 369.590 3.943 0 1 FHAF in-vitro C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNCc1ccccc1 100804758 QLMKPYVTKMCVIO-MQNAVGNWSA-N 350.506 3.706 0 1 FHAF CCOc1ccccc1NC(=O)[C@H](CC)Sc1nc2cc[nH]cc-2n1 102401906 KCXNTMSSUBYTFU-INIZCTEOSA-N 356.451 3.818 0 1 FHAF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1OC(=O)c1ccncc1 103205547 PYWNPWBOROYMOR-OXFYSEKESA-N 353.374 3.615 0 1 FHAF CCCCNCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 103290703 SVUVLEQILUJWMF-UHFFFAOYSA-N 353.418 3.934 0 1 FHAF C[C@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4cccc(F)c4)cc3n21 147720158 TWSCIMRLDRWXPT-LBPRGKRZSA-N 351.381 3.727 0 1 FHAF COc1ccc(OCCCn2c3c(c4cc(F)ccc42)CNCC3)cc1 169350517 KLUASLLKUCMBJQ-UHFFFAOYSA-N 354.425 3.904 0 1 FHAF CC(=O)Nc1cccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)c1 474604773 DTXVXYKICRFJQO-UHFFFAOYSA-N 370.412 3.954 0 1 FHAF CCOC(=O)c1ccc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2c1 586904165 QZMJQWYVOADJCL-UHFFFAOYSA-N 364.357 3.974 0 1 FHAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(C(C)(C)C)ccc3[nH]2)c1 586937233 XCBGNJOUUAABKL-UHFFFAOYSA-N 360.483 3.542 0 1 FHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(F)cc(F)c2[nH]1 586973023 MFXVYMXPEZTCJU-MRXNPFEDSA-N 361.417 3.952 0 1 FHAF Cc1nc(C2CC2)sc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587012073 MZCCEVUMZYOIHN-UHFFFAOYSA-N 353.495 3.624 0 1 FHAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C(C)=O)cc2[nH]1 587065738 YCHYWZRXRYCWTL-UHFFFAOYSA-N 358.781 3.819 0 1 FHAF COC(=O)c1ccnc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c12 587086599 ASDOTWZDFTUGRY-UHFFFAOYSA-N 365.780 3.522 0 1 FHAF COc1ccc(C)cc1NCCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 587229181 QWPWOMMGKFQEMT-LJQANCHMSA-N 353.426 3.648 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCCC(=O)O)c1)O2 587402235 WFDCPZBHHPBNRQ-SFHVURJKSA-N 355.390 3.527 0 1 FHAF CN(C)/C=C(\Br)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501841 ZDNFQPOMGCAVJJ-DNXIFWLFSA-N 350.256 3.697 0 1 FHAF CC1=C(c2ccc3nc(COc4cccc(C)c4C)[nH]c3c2)NNC(=O)C1 587564829 YSAYOICKVOKOPY-UHFFFAOYSA-N 362.433 3.514 0 1 FHAF CC(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1C 587582550 PSOWVTFOSJOOOB-RXVVDRJESA-N 364.401 3.952 0 1 FHAF C[C@@]1(C2(O)CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607047 GYXXVMTUXIVZFB-FXAWDEMLSA-N 354.402 3.808 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)nc2)N1 587755456 OMQLMOGQXQLVFN-BTDLBPIBSA-N 364.262 3.673 0 1 FHAF Cc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587774042 LAZRUQGQAKVUQU-VPTHRUTESA-N 350.235 3.619 0 1 FHAF CN1CCN(c2ccc3nc(COC/C=C/c4ccccc4)[nH]c3c2)CC1 587781532 WLESNRIFZYUMLN-VMPITWQZSA-N 362.477 3.545 0 1 FHAF COC(=O)C[C@H](C)Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1 587783396 QLVWJTXKOBYGBZ-SNVBAGLBSA-N 369.259 3.854 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CCC[C@H](C2)N3)N1 587790092 FESBIMDUBWNLID-SGPKTVCVSA-N 353.279 3.622 0 1 FHAF Cc1ccnc2c1CCN[C@@]2(CCC1OCCCO1)c1cccc(F)c1F 963065559 FKCXPIDCOKLVCQ-NRFANRHFSA-N 374.431 3.601 0 1 FHAF CN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(Cl)cc4)ccc1c23 1857550074 XSPJMGSKTISLCS-UHFFFAOYSA-N 372.833 3.884 0 1 FHAF CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccs3)ccc2N)cc1 1857649786 ZLAGIQGKUGEHHX-UHFFFAOYSA-N 352.419 3.603 0 1 FHAF CC(=O)O[C@@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@]3(O)C=C(C)CCC[C@@]21C 2356519346 XQNCZSAVXBHWSC-OZROYSPXSA-N 374.477 3.973 0 1 FHAF CCCCN(C(=O)CCC)[C@H](C(=O)NCc1ccccc1)c1cccnc1 2356822923 GHCNDIPRZFCOHC-NRFANRHFSA-N 367.493 3.868 0 1 FHAF Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@@H](C(=O)NC2CC2)C1 5044170 PTHDZJJHDQTVDP-OAHLLOKOSA-N 373.884 3.794 0 3 FHAF CN1O[C@](C)(CC(=O)N(C)c2ccccc2)N=C1c1cccc(Cl)c1 74373587 QREZZXMAAQIRMC-LJQANCHMSA-N 357.841 3.733 0 3 FHAF CC(C)[C@H](C(=O)NC(C)(C)CC(C)(C)C)N1C(=O)C(=O)c2ccccc21 206051048 DAOYYYKPAVKRMC-MRXNPFEDSA-N 358.482 3.572 0 3 FHAF Nc1sc2c(c1C(=O)c1ccc(I)cc1)CCC2 29567185 RSMZTWDEVLBMOZ-UHFFFAOYSA-N 369.227 3.655 0 1 FHAF CC(C)CC[C@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27874867 JMCLDJHNMNGXFG-VBYALHQYSA-N 356.503 3.771 0 1 FHAF c1ccc2nc(COc3ccc(CCCCc4nnn[nH]4)cc3)ccc2c1 26722380 URIMHZHMIDRURZ-UHFFFAOYSA-N 359.433 3.892 0 1 FHAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(Cc3ccccc3)CC2)o1 103290132 ODFKWCVXORWWPZ-UHFFFAOYSA-N 361.445 3.608 0 1 FHAF O=C(N1C[C@@H]2C[C@]2(c2c[nH]c3ncccc23)C1)C1(c2ccc(F)cc2)CC1 68197803 NVEWYSISVYQERO-NYHFZMIOSA-N 361.420 3.534 0 1 FHAF CC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(F)cc1c2=O 61921296 JNYMDLLCUYPKNY-KRWDZBQOSA-N 373.387 3.873 0 3 FHAF COc1cc(OS(=O)(=O)O)cc(CC=C(C)CCC=C(C)C)c1O 2356818170 DRAYHHJKKGGZRK-UHFFFAOYSA-N 356.440 3.818 0 1 FHAF NC(CO)(CO)CCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1 49070304 VYYWBYPHZMHOQF-UHFFFAOYSA-N 363.457 3.761 0 1 FHAF O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CCNCC3 143649739 CVICWYLKBRFYNT-UHFFFAOYSA-N 361.850 3.607 0 1 FHAF O=C1C[C@H](Oc2ccc(C(F)(F)F)cc2)N1C(=O)NCc1ccccc1 299868931 STCGTPABTNPKIJ-INIZCTEOSA-N 364.323 3.552 0 1 FHAF CCn1cc([C@]2(CC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587765803 UHDBUYSATSNAPA-GTNSWQLSSA-N 366.278 3.992 0 1 FHAF COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587588202 PMPVIDXGTQOCCH-RXVVDRJESA-N 363.369 3.807 0 1 FHAF CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)CC1 587627382 UFBKMSWSMNMQOX-UHFFFAOYSA-N 362.857 3.853 0 1 FHAF Cc1c(-c2nc3c(O)c(Br)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586904979 FOEWHPPMIYMWJL-JTQLQIEISA-N 363.211 3.969 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1nc4cc(Cl)ccc4n1C)[C@@H](C2)C3=O 587418539 BYCZAMUWBIPWNQ-KPZWWZAWSA-N 354.793 3.724 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Cl)ccc2OC(=O)[C@@H]1C 587378593 CVMGFUNEBBLOIM-OVWNDWIMSA-N 357.793 3.646 0 1 FHAF C[C@H]1[C@@H](CC(=O)O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587828014 NKDINPLKMFEXPO-WMEBDMIVSA-N 370.262 3.839 0 1 FHAF CCOC(=O)C[C@@]1(CCCC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442517 PJOUTOCOMUXEJQ-IIBYNOLFSA-N 360.450 3.961 0 1 FHAF Cc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587608604 LTLYSJIGQCEZAI-WIYYLYMNSA-N 364.353 3.815 0 1 FHAF Cc1ccc(-c2nc3c(s2)-c2nc4nc(O)nc(O)c4cc2CC3)cc1 587564850 XYKZWFGKLIJPKV-UHFFFAOYSA-N 362.414 3.634 0 1 FHAF Cc1cccc(C#CC=C2CCN(S(=O)(=O)CC3CCCCC3)CC2)n1 141937284 BKTNVFHODQILHH-UHFFFAOYSA-N 372.534 3.674 0 1 FHAF O=c1cc(N2CCOCC2)oc2cc(OCc3cccc(Cl)c3)ccc12 13677006 XFHTXJXSCBKZLS-UHFFFAOYSA-N 371.820 3.862 0 1 FHAF Fc1ccc(/C=C2\CNC[C@H]3C2=NC(=S)N[C@@H]3c2ccc(F)cc2)cc1 169729944 XDEMWJWHQRINAV-QWXUZBRKSA-N 369.440 3.638 0 1 FHAF COc1cc(OC)c(-c2cn3ccc(N4CCCC4)nc3n2)cc1Cl 1857533616 YUVOUXNQNWPZGZ-UHFFFAOYSA-N 358.829 3.667 0 1 FHAF Cc1nnc2n1-c1cnc(Nc3ccc(F)cc3)nc1N(C1CCCC1)C2 1857577033 ZIWMJEFBKFKKSG-UHFFFAOYSA-N 365.416 3.511 0 1 FHAF Cc1ccc(F)cc1NC[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 1857585868 YGYMDVHVGFHKGL-SJLPKXTDSA-N 362.470 3.633 0 1 FHAF O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])o3)s2)cc1 33488233 RKDBFQMGPMEMBK-UHFFFAOYSA-N 364.364 3.907 0 1 FHAF COc1ccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)cc1 40917677 RWIWGVKYQLNBEX-UHFFFAOYSA-N 361.401 3.903 0 1 FHAF CCn1c(CSc2nc3ccccc3[nH]2)nc2cc(C(=O)O)ccc21 2660019 NKWNTXWZKCCZKP-UHFFFAOYSA-N 352.419 3.923 0 3 FHAF CC=C(C)[C@@H]1O[C@](O)([C@@H]2C[C@H](CC(C)C)NC2=O)C[C@@H]2CC=C(C)C[C@H]21 2356395989 ZQVUGTNCXDEQJP-PTKIEIBWSA-N 361.526 3.953 0 1 FHAF CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccs1 8684366 PUMCLQFZOLPQOB-INIZCTEOSA-N 373.503 3.578 0 3 FHAF O=C1CCC[C@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@@H]12 29239288 KHSVWSHGEADZAR-DAXOMENPSA-N 364.218 3.537 0 1 FHAF O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 28228737 GMHHNNYRKHFVLP-AIMAZDRCSA-N 369.870 3.518 0 1 FHAF COc1cccc([C@@]2(c3ccccc3)NC(=N)N(C3CCCCC3)C2=O)c1 103243775 HBMNVOVUTMHYQD-JOCHJYFZSA-N 363.461 3.638 0 1 FHAF CCN(CC)CCC[C@H](C)Nc1ccnc(COc2cccc(OC)c2)n1 28523581 GOQPLPSWRYTXRJ-KRWDZBQOSA-N 372.513 3.987 0 1 FHAF CN(CC[C@@H]1CN(C(=O)C2CCCC2)CC[C@@H]1CC(=O)O)c1ccccc1 2356874282 YUNFJIJUISZUHY-RTBURBONSA-N 372.509 3.643 0 1 FHAF C[C@H](c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cccc[n+]1[O-] 27526650 HVFPXQODCNVQMR-SECBINFHSA-N 365.760 3.527 0 1 FHAF Cn1c(O)c(C2=NO[C@@H](c3ccc(Cl)cc3)C2)c(=O)c2ccccc21 3846534 ZEZGJCLIACWNGH-MRXNPFEDSA-N 354.793 3.763 0 1 FHAF biogenic c1cc2c(cc1OC1CCNCC1)CCC1(CCN(C3CCC3)CC1)O2 84603873 IALVKGMYVHTORI-UHFFFAOYSA-N 356.510 3.530 0 1 FHAF COC(=O)C1=CC[C@]2(C[C@@H]1O)[C@@H](C)CC[C@@H]2[C@H](C)CC[C@@H](O)C(C)C 238754888 XPCAEPWERCDOLA-QKMRFKTESA-N 352.515 3.706 0 1 FHAF Nc1nc(Nc2ccccc2)[nH]c2nc(=O)c(-c3c(F)cccc3F)cc1-2 653714987 PGTCJTKKRWHRQP-UHFFFAOYSA-N 365.343 3.541 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(Cl)nc2[nH]1 587042139 IHGPUBLSTWXLGV-NSHDSACASA-N 365.245 3.920 0 1 FHAF O=C(O)CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350114 HGWYCWLLISDFEI-TZIWHRDSSA-N 370.376 3.904 0 1 FHAF O=S(=O)(O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068798 ZAJSEJDTQJKLOP-UHFFFAOYSA-N 374.809 3.520 0 1 FHAF COc1ccc2nc(-n3ncc4ccc(Cl)cc4c3=O)c(C)cc2c1 587652861 LLOOPIZTIMNYIX-UHFFFAOYSA-N 351.793 3.904 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(Cl)nc1Cl)[C@@H](C2)C3=O 587419222 DEESRWSOAPEPLC-JVXZTZIISA-N 371.607 3.934 0 1 FHAF O=C(O)c1cc(Br)cc2nc(COc3ccc(F)cc3)[nH]c12 587169551 ZBLHKLXVLYMQME-UHFFFAOYSA-N 365.158 3.742 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)F)c2c1 587648812 BEMOFZLZMYPQOD-UHFFFAOYSA-N 367.348 3.825 0 1 FHAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cnccc3[nH]2)c(C2CC2)n1 587231355 AACMNVLVTTWRFT-UHFFFAOYSA-N 365.437 3.922 0 1 FHAF Nc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n[nH]c2c1 587592455 HDWOGLJXAPYMRT-LAUBAEHRSA-N 373.368 3.554 0 1 FHAF O=C1CCC2=C(CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)N1 586989317 DQLPBXYFDNVSMT-UHFFFAOYSA-N 368.392 3.719 0 1 FHAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587248966 CVDYAWVBKYWXRY-UHFFFAOYSA-N 353.275 3.592 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(F)c(F)c1)CC2=O 587465085 ANFNPNQKHLTICL-IBGZPJMESA-N 362.328 3.568 0 1 FHAF C[C@]1(c2cc3c(cc2N)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587511200 NWNQTNZABAVWPV-OAQYLSRUSA-N 351.402 3.757 0 1 FHAF Cc1ccc(C)c2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587126902 HUETYGLRCIWYMS-UHFFFAOYSA-N 355.341 3.535 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccc4)C[C@@H]1C)[C@@H](C2)C3=O 587439597 VJYSLEUGPZWTKE-FOMLIJIXSA-N 363.457 3.723 0 1 FHAF N=c1ncc(-c2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)c[nH]1 587255118 YLZGOLZWCXRQAO-UHFFFAOYSA-N 357.204 3.801 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)NCc1ccccc1Cl)O2 587379952 YYUKHZIFMQFEAN-FQEVSTJZSA-N 372.852 3.661 0 1 FHAF Nc1cc(F)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570339 VXLSPVZFQWIPMD-FXAWDEMLSA-N 351.333 3.816 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1sc(N(C)C)nc1Cl 963051710 FPEIUISLXGWBPU-HNNXBMFYSA-N 374.897 3.654 0 1 FHAF COc1cccc(OC)c1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772615972 IUZDFIHBUTUINR-HNNXBMFYSA-N 368.389 3.669 0 1 FHAF Fc1ccc(C2=Nc3ncnn3[C@H](c3ccc(Br)o3)C2)cc1 13124843 YLYCAJQQHIQZQJ-LBPRGKRZSA-N 361.174 3.887 0 1 FHAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1ncn2C 13442825 KMEZVOBKQOCLHX-UHFFFAOYSA-N 351.193 3.536 0 1 FHAF CCCCCCc1ccc(OCCCCCC(=O)NCCO)cc1O 13676030 PDLINZSQSWJTPO-UHFFFAOYSA-N 351.487 3.563 0 1 FHAF Fc1ccc(/C=C2\CNC[C@H]3C2=NC(=S)N[C@H]3c2ccc(F)cc2)cc1 169729946 XDEMWJWHQRINAV-OZNDBLHSSA-N 369.440 3.638 0 1 FHAF CC(C)Nc1cncc(-c2c[nH]c3ccc(-c4nc(N)ns4)cc23)n1 204755208 SDWLMNIERCYSEQ-UHFFFAOYSA-N 351.439 3.546 0 1 FHAF CC[C@H](c1ccc2ncccc2c1F)n1cnc2ncc(-c3cn[nH]c3)nc21 1857583030 OQCIKEHPSDIVRC-QGZVFWFLSA-N 373.395 3.903 0 1 FHAF CNCc1cc2c(cc1OC)[C@@]1(C)Cc3cnc(C)nc3C(C)(C)[C@H]1CC2 1857604765 KSCAJAMHRUQSRB-NFBKMPQASA-N 365.521 3.867 0 1 FHAF Nc1cccc(-c2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)c1 3919909 FVIZXTHHNZRGNE-HSZRJFAPSA-N 371.484 3.940 0 1 FHAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)[C@@H]1c1cccs1 6875395 FGTQTCFAIZNTPD-CABCVRRESA-N 369.471 3.754 0 1 FHAF CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)CC3)cc1 28704199 SJYYFOFHDQCHFJ-UHFFFAOYSA-N 358.507 3.818 0 1 FHAF CC(C)(Nc1cccc(O)c1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1 115722675 RAOPEUTYHRNFHJ-UHFFFAOYSA-N 367.434 3.707 0 1 FHAF CC[C@H]1CC[C@@H](N2C(=O)CC(=O)N(CCc3ccc(Cl)cc3)C2=O)C1 101678291 YHWWPYUITXNAKW-XJKSGUPXSA-N 362.857 3.642 0 1 FHAF Cc1nnc(-c2cccc(N3CCC(N[C@H]4CCSC4)CC3)c2)s1 23580982 VPGCLPMOJCXZHO-INIZCTEOSA-N 360.552 3.577 0 1 FHAF COc1ccc(C(F)(F)F)cc1NC(=O)NC(=CN(C)C)C(F)(F)F 2356861369 UICJMUXFLXNDMH-UHFFFAOYSA-N 371.281 3.801 0 1 FHAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccccc2)O3)c1 61930779 BOZHLVLQIFZNEL-FQEVSTJZSA-N 373.412 3.649 0 3 FHAF O=S(=O)(c1ccccc1)N1c2ccccc2-c2n[nH]cc2[C@H]1C1CC1 45260111 YEPOEURJNMOUOI-LJQANCHMSA-N 351.431 3.737 0 1 FHAF COC1(C)C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 49034837 GVLLBSGDOGQODH-MCPYQZEQSA-N 351.512 3.705 0 1 FHAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1Cl)c1ccc(Cl)cc1 149879983 WWVCGJSPFKPNDA-INIZCTEOSA-N 351.233 3.907 0 1 FHAF CC[C@H]1COc2cccc3c(=O)c(C(=O)N[C@H](C)CCC(C)C)cn1c23 95556007 PSXQVRBHHWMMEZ-CABCVRRESA-N 356.466 3.900 0 1 FHAF Cc1ccn2c(-c3ccc4cccc(OCC(C)(C)CN)c4n3)nnc2c1 96175113 PDRMZIBUTGMDNS-UHFFFAOYSA-N 361.449 3.617 0 1 FHAF COc1cc(O)ccc1[C@H]1COc2cc3c(c(O)c2C1=O)C=CC(C)(C)O3 653790372 DEAALMVARRZSEY-CQSZACIVSA-N 368.385 3.650 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(OC)n1 587865577 BQFGEIZTZGWCII-UHFFFAOYSA-N 364.327 3.755 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](CN(C(=O)OC)c1ccccc1)CC2=O 587469264 MFAYEUBRJPLTJP-OAHLLOKOSA-N 369.417 3.952 0 1 FHAF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@@H](NC(=O)OC(C)(C)C)C(=O)O 587630708 AYCLUJVGLFJXFO-CYBMUJFWSA-N 356.781 3.919 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3C)N1 587767734 JGHFXYIABGSMET-SGPKTVCVSA-N 353.279 3.574 0 1 FHAF O=C(O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1 587109821 VTKPRIFVPUAJRT-UHFFFAOYSA-N 350.252 3.645 0 1 FHAF COc1cc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2cc1OC 587246579 COHQNXMQQFCQJR-UHFFFAOYSA-N 354.410 3.627 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(C(C)(C)C)no2)N1 587792573 JBEPJGJRHHNUBB-AMIZOPFISA-N 368.250 3.892 0 1 FHAF CCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587762455 DYQVXJCHJRXSFN-XXFAHNHDSA-N 352.251 3.737 0 1 FHAF CC[C@]1([C@H](C)CN(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587742916 VAFFHFOCSSQYLY-BWACUDIHSA-N 357.311 3.925 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccnc2Cl)N1 587701271 ATYYRNKTKYXYLL-JVXZTZIISA-N 356.626 3.655 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(O)ccc12 587608570 LRNBVMYJVSVZIM-DENIHFKCSA-N 360.365 3.901 0 1 FHAF CCOC(=O)[C@@H](c1ccccc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399920 MZWXTFGHIOFZOJ-WIYYLYMNSA-N 353.418 3.648 0 1 FHAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587171612 QCUNJLRGYPEKMJ-LLVKDONJSA-N 354.414 3.574 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)cc1-n1cncn1)O2 587378828 QONVKKVAIPLADK-KRWDZBQOSA-N 354.797 3.518 0 1 FHAF Nc1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576100 FUWDANOKXWOLOD-UGKGYDQZSA-N 359.381 3.778 0 1 FHAF CC(C)Cn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581223 KZXOBYDEOUJDLF-NQIIRXRSSA-N 364.401 3.948 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)nn2)N1 587707441 VSTHALUULBFQDO-WJWGPLDTSA-N 356.626 3.655 0 1 FHAF C[C@]1(CCCCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604315 SMGHCAFALYFGGS-YLJYHZDGSA-N 356.374 3.758 0 1 FHAF CCCCCOc1cc2nc(CC(=O)COC)[nH]c2cc1Br 587563923 ZDEUADCVTWIPNG-UHFFFAOYSA-N 369.259 3.652 0 1 FHAF N=c1nc(N(Cc2ccccn2)Cc2ccccn2)cc(-c2ccsc2)[nH]1 584904704 GNKFSGIISAKKRV-UHFFFAOYSA-N 374.473 3.614 0 1 FHAF in-vitro C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c(=S)n2C)N1 587846090 TVTWTCXSCGPLJT-RMLUDKJBSA-N 370.291 3.618 0 1 FHAF Fc1cnc2[nH]c(/C=C\c3cccc(I)c3)nc2c1 587183160 BFTKQBSYXMOUGG-PLNGDYQASA-N 365.149 3.872 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(Cl)c(Cl)cc21 587379253 GUORMNAKQPOPLJ-KRWDZBQOSA-N 363.200 3.697 0 1 FHAF COc1ccc(C[C@H](C)c2nc3cc(OC)c(OC)cc3[nH]2)cc1OC 587926730 OEKAKUHGECECAX-LBPRGKRZSA-N 356.422 3.944 0 1 FHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C)cnc3[nH]2)cc1 587040149 KZDBEKZPYJZTPI-INIZCTEOSA-N 368.462 3.553 0 1 FHAF Cc1cc(Br)c2[nH]c(CCNC(=O)Cc3ccccc3)nc2c1 587228840 RYBYAUMJQFJOGJ-UHFFFAOYSA-N 372.266 3.535 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(C(=O)O)ccc31)CC2=O 587487717 HVGGWZPKUDICTQ-NRFANRHFSA-N 352.386 3.850 0 1 FHAF Fc1cnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 587115880 CXOBSFDOSFIAQP-UHFFFAOYSA-N 361.096 3.940 0 1 FHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(C)cc3OC)[nH]c2c1 587924735 CYPZNNYDVFXAPW-UHFFFAOYSA-N 373.478 3.577 0 1 FHAF CCOC(=O)[C@@H]1CCC[C@]2(C1)c1c(ccc(OC)c1OC)C[C@@H](C)N2C 962616636 BKWCYYBERSIMAU-NVAPDCRFSA-N 361.482 3.529 0 1 FHAF CCn1nccc1[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963094 XGEVWRGPAUBVKZ-QGZVFWFLSA-N 365.399 3.663 0 1 FHAF CC[C@]1(c2c(C)nn(C)c2C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962628887 QSAKPSUSDZBZAX-LRTDBIEQSA-N 357.498 3.584 0 1 FHAF COc1cc2c(cc1OC)[C@H]([C@H]1C[C@H]1C)N(C(=O)c1ccccc1N)CC2 963157388 LELMCEXFWOONMH-QTPGKHNVSA-N 366.461 3.682 0 1 FHAF CCCOc1ccc(NC(=O)CC)cc1-c1nc(CC)c(CC)c(=O)[nH]1 166781851 QEEQVUIYRDSYOJ-UHFFFAOYSA-N 357.454 3.699 0 1 FHAF CCOC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)cc2)nc1N 1772619439 ONYHHOAHPUBHQC-UHFFFAOYSA-N 355.316 3.830 0 1 FHAF O=C(NCCCC1CCCC1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 12457516 RFTVPTOHGPQXBK-GOSISDBHSA-N 360.473 3.651 0 3 FHAF Cc1cc(=O)c(Oc2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581223 XRHLSOYDPVRXAE-UHFFFAOYSA-N 356.399 3.811 0 1 FHAF O=C1CCC/C=C\C[C@H]2C(=O)C[C@@H](O)[C@H]2/C=C/[C@@H](CCc2ccccc2)O1 169290112 WWHYWVRAJPRWHZ-IXJQEVRLSA-N 368.473 3.784 0 1 FHAF O=C(Nc1cccc2c1C[C@@H](O)C2)N[C@H]1CC[C@@H](c2ccccc2F)C1 169704950 CWCHZORHHWEPPM-PMPSAXMXSA-N 354.425 3.743 0 1 FHAF C[C@H]1C/C=C\[C@H]2OC(C)(C)O[C@H]2CC/C=C\c2cc(O)cc(O)c2C(=O)O1 169727605 RATBTQWBKSYHAA-LMRKEFIUSA-N 374.433 3.917 0 1 FHAF CC1=C(C(=O)OCc2ccccc2Cl)[C@H](c2ccccc2)NC(=O)N1 205377941 ZDLMUHWUCWIIMU-KRWDZBQOSA-N 356.809 3.711 0 1 FHAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2oncc2c1 205436673 XGOBMWIHRYAUKY-UHFFFAOYSA-N 362.389 3.981 0 1 FHAF COc1cc(OC)cc(-c2cc(-c3ccc4c(c3)OCO4)cc(O)n2)c1 1857561628 GDOIJRGPIIHCDU-UHFFFAOYSA-N 351.358 3.867 0 1 FHAF O=C(Nc1cc(F)ccc1F)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 2467301 RBNBKKXPWHBFQJ-UHFFFAOYSA-N 371.792 3.563 0 1 FHAF Cc1cnsc1[C@@H](c1ccc(C(C)C)cc1)N1CCN(C[C@H](C)O)CC1 28253960 XYWOULVRZHKIPZ-FXAWDEMLSA-N 373.566 3.663 0 1 FHAF C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28105169 BBNWIEGTGHCCOP-MPTWLBLNSA-N 358.265 3.929 0 1 FHAF c1cncc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1 114772259 FWYWQFBJVLMBAM-UHFFFAOYSA-N 373.416 3.640 0 1 FHAF COC(=O)C1=CCCC(C)=CCCC(C)=C[C@@H]2OC(=O)C(C)=C2C[C@H]1O 2356491814 QOFSQIDQLLDFQM-MOPGFXCFSA-N 360.450 3.545 0 1 FHAF COc1cccc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4o3)C2)c1 2356538622 LMYLYIPDWSHCIX-VQIMIIECSA-N 356.397 3.576 0 1 FHAF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C=CCC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2356636769 ULDLIESGVCHUSR-MWLNGYCZSA-N 372.505 3.524 0 1 FHAF Cc1csc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)n1 66148107 YUTGYYDOOPVFHS-UHFFFAOYSA-N 352.419 3.759 0 1 FHAF CCNC(=O)[C@]1(C)CCCN(C(=O)c2cc(-c3ccccc3)cs2)C1 61906391 LTQGBJUECHZWKQ-HXUWFJFHSA-N 356.491 3.794 0 3 FHAF CC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 2140462 YXUUENGYWJMPJK-JOCHJYFZSA-N 373.412 3.611 0 1 FHAF biogenic CSc1nc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)cs1 39405734 LAKPURLGQRAFPN-ZDUSSCGKSA-N 351.472 3.721 0 1 FHAF C[C@H]1CN2C[C@@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 35075246 FYKCIOAYMLTGHC-UOAUAQBLSA-N 350.506 3.575 0 1 FHAF COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 40822561 MRCKSWXOWOMYII-QGZVFWFLSA-N 365.429 3.657 0 1 FHAF CCc1ccc(Cl)cc1-n1cc(-c2ncnc3[nH]ccc23)cc1C(N)=O 143238930 OLROTZLJQKXALJ-UHFFFAOYSA-N 365.824 3.730 0 1 FHAF CN(c1ccc(OC(F)(F)F)cc1)c1nc(=O)c2cccnc2s1 147601553 PKFODBZGTQVGOU-UHFFFAOYSA-N 353.325 3.718 0 1 FHAF COc1ccc([C@H](C)N2CC[C@]3(CCCC4(C3)OCCO4)OC2=O)cc1 142703426 SAVCVLLPTJAZSA-KXBFYZLASA-N 361.438 3.654 0 1 FHAF COc1cc2c(cc1OC)Oc1c(OC)ccc(CCN(C)C)c1CC2 238745952 JWXOMKCQLJWENT-UHFFFAOYSA-N 357.450 3.707 0 1 FHAF Cc1ccccc1CN1CCN(c2cccc(Cl)c2Cl)C(=O)C1=O 95565107 GMJKGHCTHHFXML-UHFFFAOYSA-N 363.244 3.677 0 1 FHAF C[C@H](O)[C@H](C)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 253650579 FDCZUAWLCBAHKC-CKJXQJPGSA-N 373.928 3.648 0 1 FHAF Cc1ccc(O)c2c3c(nn12)CC[C@](C)(NC(=O)c1ccccc1Cl)C3 299868023 ZGASTYSRJZSAOT-FQEVSTJZSA-N 369.852 3.679 0 1 FHAF O=C(NC(=O)c1c(O)cccc1O)N[C@@H]1c2ccccc2[C@@H]2CCCC[C@@H]12 653794445 UKHSLTFJOOHTDO-ZBQZNYHESA-N 366.417 3.566 0 1 FHAF Oc1nccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587166369 RGDJTPNITHRDFJ-UHFFFAOYSA-N 365.393 3.770 0 1 FHAF CO[C@@H]1[C@H](C)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587600238 NEQJBMOCHHDVDL-WOOAVETHSA-N 354.402 3.784 0 1 FHAF Cc1nn(C)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343014 QWGXYOUFPUEWPD-TZIWHRDSSA-N 366.392 3.848 0 1 FHAF COc1ncc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587403 MQXOFRVYORJZGK-PXNSSMCTSA-N 363.369 3.807 0 1 FHAF CCn1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587764177 OQRGSYPFUTWTEW-JDNHERCYSA-N 352.251 3.737 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)CC1(C)C)O2 587394846 JNZLPJSQXFAOLS-NRFANRHFSA-N 374.481 3.948 0 1 FHAF CC(=O)c1ccc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2c1 586969840 AIBIYASJDFIZAB-UHFFFAOYSA-N 367.474 3.988 0 1 FHAF O=C(/C=C/c1nc2cc(C(F)(F)F)cnc2[nH]1)Nc1ccc(F)cc1 587167122 MWBDFZKVWWDQAL-AATRIKPKSA-N 350.275 3.768 0 1 FHAF Cc1ccc2ccccc2c1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586882850 BYZGVVOFFYUPAM-UHFFFAOYSA-N 365.458 3.942 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(N)cccc32)N1 587748401 WTMZXNFKRIRSOG-YPMLDQLKSA-N 361.258 3.894 0 1 FHAF N=C(N)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136946 ZKQMSSUWOSDEBE-UHFFFAOYSA-N 351.154 3.555 0 1 FHAF CC[C@@]1(c2ccc(OC[C@H]3CO3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587413164 QGDHQYSJMJTMBE-KKSFZXQISA-N 353.418 3.626 0 1 FHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc3cc(O)ccc3c2)N1 963229298 JVCXIZWMJKYWGK-FCHUYYIVSA-N 370.408 3.782 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@H]3C[C@@H]1CCCCC12OCCO2 963056086 KXHOLZQHDPFABO-WMZOPIPTSA-N 368.477 3.754 0 1 FHAF CN1CCc2c(Br)cccc2[C@H]1c1cnc2cccnc2c1 963289292 LSOXVKFNFGBDCP-GOSISDBHSA-N 354.251 3.970 0 1 FHAF Oc1ccc2c(c1)[C@]1(CCCOc3c(Br)cccc31)NCC2 963351728 IJVCYDCVOLVIRU-GOSISDBHSA-N 360.251 3.717 0 1 FHAF COc1cc([C@H]2C[C@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc(OC)c1OC 1772649502 VHBNMPDAZYGSTM-HSJLDRMUSA-N 366.429 3.598 0 1 FHAF CCCOC(=O)[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21 13518417 RBKGEQFRWXVSGW-DIRCKHNBSA-N 358.478 3.789 0 1 FHAF Cc1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528573 HDMHPXIRKIBXPL-UHFFFAOYSA-N 358.390 3.825 0 1 FHAF CNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccncc2)cn1 1857599486 IWVFBQVZWNETRM-UHFFFAOYSA-N 356.332 3.965 0 1 FHAF Nc1nc(Cl)cc(NC[C@@]2(CO)CC[C@@H](CCc3ccccc3)C2)n1 1658375 GTKRXPJZARRCLS-DNVCBOLYSA-N 360.889 3.536 0 1 FHAF O=C1Nc2ccc(F)c3c(S[C@H]4CCNC4)cc(-c4ccc[nH]4)c1c23 3816605 UZVLKAPGUJAQCL-JTQLQIEISA-N 353.422 3.994 0 1 FHAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4212166 MBYMWWBZTIIEEU-PWIZWCRZSA-N 359.514 3.767 0 1 FHAF C[C@]1(c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)C[C@@H]1CC(=O)O 28648292 QWFBDKQUFNWYSN-HTAPYJJXSA-N 366.461 3.814 0 1 FHAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2cccnc2)cc1 100109311 QODREXMGPLMOHL-UBRQYEGLSA-N 355.485 3.997 0 1 FHAF C[C@@H](c1ccccn1)N(CCCCN)Cc1ncccc1C(F)(F)F 66077630 NXOVWJQOIFZYII-AWEZNQCLSA-N 352.404 3.798 0 1 FHAF CN1C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2cc(Cl)ccc21 33983322 WMZLCGFJUCZICO-GOSISDBHSA-N 364.832 3.811 0 1 FHAF Cc1noc(NC(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)CO3)c1C 73161854 PDLZWTRIORMYRF-QGZVFWFLSA-N 355.438 3.862 0 1 FHAF COc1cc2c(cc1O)[C@H](c1ccccc1Br)CN(C)CC2 1911582575 INKQJWHDGDLGDE-HNNXBMFYSA-N 362.267 3.783 0 1 FHAF C[C@H](C(=O)O)C1=C([C@@]2(C)CCCC(C)(C)C2)CC[C@@H](COC=O)C1=O 14677459 MXRAMNMYWHQKPO-YRVVQQKDSA-N 350.455 3.762 0 1 FHAF biogenic CCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1 49054885 NSJAQLDCCBDFPD-UHFFFAOYSA-N 362.433 3.831 0 1 FHAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N(C)CC(C)C)c1 82145386 YNOCBYHFMHFPSD-UHFFFAOYSA-N 352.482 3.780 0 1 FHAF CC(C)[C@@](O)(c1ccc2cc(OCC(F)(F)F)ccc2c1)c1c[nH]nn1 148507460 LNCAMLLVHZJNDI-GOSISDBHSA-N 365.355 3.791 0 1 FHAF Cn1c(CN2C[C@@H]3[C@H](COc4cc(F)ccc4F)[C@@H]3C2)nc2ccccc21 253665773 HIZJQKRTPMIKGW-MUJYYYPQSA-N 369.415 3.608 0 1 FHAF CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccccc43)CC2)CC1 261084180 CGXQSGGPBGLGOJ-CYWCHRQTSA-N 358.482 3.969 0 1 FHAF COc1ccc(-c2ccsc2C)cc1S(=O)(=O)NC1CCCC1 473117444 ZIZVVSYRJGRSNL-UHFFFAOYSA-N 351.493 3.953 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NC1CC1 587867461 ZWOMHWYVWWYLPT-UHFFFAOYSA-N 355.385 3.853 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1cc(F)cc(F)c1)O2 587386634 VTRKWWDZLJTEDH-KRWDZBQOSA-N 355.344 3.952 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2ccc(O)cc2)N1 587831773 IESBXOFIJAEKRH-JDNHERCYSA-N 364.214 3.752 0 1 FHAF CC(C)Oc1ccc(OC(C)C)n1-c1c[nH]cc(Br)c1=O 587940710 KJZLPNDOAZVPJL-UHFFFAOYSA-N 355.232 3.503 0 1 FHAF COc1ccc(O)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587804620 BZDWUHONEWVGLC-VVVCHXIZSA-N 366.230 3.926 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CC)(c1cc(C(=O)OC)n(C)c1)CC2=O 587468872 BOZNSYLDOOYBLD-NRFANRHFSA-N 371.433 3.741 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1F 587566949 CLXPBIBSDQFGIN-YLJYHZDGSA-N 352.317 3.940 0 1 FHAF O=C(CCc1nc2cc(C(F)(F)F)cnc2[nH]1)Nc1cccc(F)c1 587162261 INXJIMVGHQYKIF-UHFFFAOYSA-N 352.291 3.687 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1c(C)cc(OC(C)=O)cc1C)[C@@H](C2)C3=O 587441354 GEULEVVCIMHSSV-KKSFZXQISA-N 352.386 3.726 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(CO)n4)cc1)[C@@H](C2)C3=O 587435774 JZOMWOLCDUBIAN-MBSDFSHPSA-N 373.408 3.738 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)s2)N1 587845286 DLFRNAUWFYJHJH-NXSYQRQQSA-N 370.243 3.972 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(NC(C)=O)c1C)CC2=O 587469344 CSZKHIPOLARMGA-LJQANCHMSA-N 356.422 3.560 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(OC)c1N)CC2=O 587473088 PSYHULXTVYYHED-NRFANRHFSA-N 371.433 3.825 0 1 FHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(=O)OCC)c1cccn1C 963242971 QUUYOBYWNRBKGE-JTSKRJEESA-N 354.494 3.879 0 1 FHAF CSc1nccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)n1 962994391 CXWOEUNBCWPTHQ-KRWDZBQOSA-N 354.504 3.803 0 1 FHAF Cc1cccc(C)c1N1C[C@H](C(=O)Nc2cc(Cl)cc(C#N)c2)CC1=O 205761784 QEOROPIBUXOAHI-OAHLLOKOSA-N 367.836 3.820 0 1 FHAF COc1c(C)cccc1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772636126 PYZVIINPOKEBHH-QGZVFWFLSA-N 352.390 3.969 0 1 FHAF CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 13523593 RUJUSCZEDDAGAW-UHFFFAOYSA-N 352.413 3.764 0 1 FHAF COC(=O)CCC(=O)Nc1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1 169353053 NDKOQXCOIPWNAV-UHFFFAOYSA-N 365.389 3.604 0 1 FHAF CC(C)CCN(C)C(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 167393196 LAALWOHUUACKFA-UHFFFAOYSA-N 366.465 3.747 0 1 FHAF CC[C@H](C)NC(=O)c1c(NC(=O)c2ccc(C)cc2)nc2ccc(C)cn12 1857594352 FSYNLQXNCPQBAM-HNNXBMFYSA-N 364.449 3.732 0 1 FHAF Oc1nc2cnccc2n1-c1cc(-c2ccc(F)cc2F)[nH]c2nccc1-2 1857602326 ZNDUISIIUWWBBH-UHFFFAOYSA-N 363.327 3.899 0 1 FHAF CCCCNC(=O)c1c(NC(=O)c2cccc(C)c2)nc2ccc(C)cn12 1857609716 SIXKHNNTBFLOJS-UHFFFAOYSA-N 364.449 3.733 0 1 FHAF CC(C)c1ccc(CC(=O)N=c2ccn(Cc3ccc(F)c(F)c3)[nH]2)cc1 1857647504 VOSFWDZWOGANJL-UHFFFAOYSA-N 369.415 3.936 0 1 FHAF CC=C1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356366574 LWZNDYKDUGVSBN-CBXHERRSSA-N 359.554 3.767 0 1 FHAF Cc1ccc2nc(C[C@@H]3CN(CC(C)(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305987 XUNHAKQKGUYQBJ-HZPDHXFCSA-N 357.498 3.873 0 1 FHAF Cc1cc(-c2nnc(S(=O)(=O)Cc3ccccc3)o2)c2ccccc2n1 103293523 XOFQQXPTRTXQLQ-UHFFFAOYSA-N 365.414 3.567 0 1 FHAF CC1(C)O[C@@]2([C@@H]3C[C@H](CO)C[C@@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@H](N)C2 2356482341 KXYOIBBIVWUHEW-HVGHLMBYSA-N 373.537 3.635 0 1 FHAF CC=C1CN2CCc3c4n(c5ccccc35)[C@H](C(=O)OC)[C@@]1(C)C[C@]42C 2356562358 RHSHJTJNMKANKY-BAGYTPMASA-N 350.462 3.799 0 1 FHAF COc1cc(O)c(C=CC(C)(C)O)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2 2356644148 UQJDHMKAJSKDGS-KRWDZBQOSA-N 370.401 3.597 0 1 FHAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 2356674812 VICGGTFZJUHFFO-OTWHNJEPSA-N 369.509 3.791 0 1 FHAF COC(=O)C[C@H]1[C@@H](O)CC[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC(=O)[C@H]12 38885142 VSVANMRGLPEEHB-UQQOHFQVSA-N 350.499 3.914 0 1 FHAF O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12 138590995 LWINSKSAAQRWTC-UHFFFAOYSA-N 367.836 3.878 0 1 FHAF O=C(O[C@H]1C[C@H]2C[C@@H]1C[C@H]2n1cnc2c(Cl)ncnc21)c1ccccc1 195509756 LFNDXIWNKYRRHL-TUVASFSCSA-N 368.824 3.676 0 1 FHAF CCOC(=O)c1cc(-c2ccc([C@H](O)c3cccc(OC)c3)cc2)on1 45245614 IDVDZVIBVRPZOO-IBGZPJMESA-N 353.374 3.609 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1cnc(NCc2ccccc2F)nc1 149805823 WCLROHKKQYMCOA-UHFFFAOYSA-N 351.307 3.647 0 1 FHAF CCCCCCCC(=O)C1=C2C=C3C=C(C)OC=C3[C@@H](O)[C@]2(C)OC1=O 85775073 LWWKRRPNDFSENZ-TZIWHRDSSA-N 358.434 3.647 0 1 FHAF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@H]2CC3=O)N1 587816869 FEPZQICTRZUQLB-ORJDACABSA-N 352.247 3.707 0 1 FHAF COc1cc(OC)c2[nH]c([C@H](C)Cc3ccc(OC)c(OC)c3)nc2c1 587927426 UNJOEHXPPXHFBN-GFCCVEGCSA-N 356.422 3.944 0 1 FHAF CCOC(=O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587177944 IEFYGLBZBUJULC-UHFFFAOYSA-N 364.174 3.703 0 1 FHAF Oc1nc2cc3nc(-c4ccccc4OCc4cscn4)[nH]c3cc2[nH]1 587029094 HLGGBWVDJMXBJG-UHFFFAOYSA-N 363.402 3.847 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(COCC(F)(F)F)o1)[C@@H](C2)C3=O 587422336 TVEUWTCYLPACRV-YVEFUNNKSA-N 368.307 3.856 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Cl)cn2)N1 587705113 LSUUFHUBVJLFGF-ANRSDYALSA-N 370.653 3.829 0 1 FHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587241776 JCJLMIDGGXYHSG-UHFFFAOYSA-N 363.343 3.975 0 1 FHAF N[C@@]1(c2nc3ccc(Br)c(F)c3[nH]2)C[C@H]1c1ccccc1F 587158979 ZKEBRIXUYCGTJE-FVMDXXJSSA-N 364.193 3.945 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC(=O)C[C@H]3C2)N1 587817988 OAJQBPRUGNPTGS-UANGTYAUSA-N 352.247 3.707 0 1 FHAF CCn1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587763552 KALXVPDXZIPQJJ-MGPLVRAMSA-N 352.251 3.602 0 1 FHAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O 587810501 XSPMQFZRDIMEMX-HUTHGQBESA-N 366.230 3.926 0 1 FHAF CCC[C@]1([C@H](C)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589836 ARAJORJODVLGMO-QKAVXHIFSA-N 370.401 3.702 0 1 FHAF Brc1ccc([C@@H](c2nc3cnccc3[nH]2)N2CCCC2)cc1 586985185 LCNPVMPRWLSINB-INIZCTEOSA-N 357.255 3.906 0 1 FHAF O=C1NNC(c2ccc(Br)cc2)=C[C@@H]1c1ccc(Cl)cc1 957579814 VCLRAXNWDNGLCE-CQSZACIVSA-N 363.642 3.862 0 1 FHAF COc1ccc2c(c1OC)[C@@](C)(c1ccc3nn(C)cc3c1)N(C)[C@H](C)C2 962617201 BUJZJAQEVARTMI-JLCFBVMHSA-N 365.477 3.730 0 1 FHAF CON/C=C\[C@]1(c2ccc(F)cc2)NCCc2c(OC)ccc(Cl)c21 963256528 DEIDHCYBCMXECY-LEVJEWGPSA-N 362.832 3.542 0 1 FHAF Cc1ccccc1C[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962956078 BHWAWTDRNXQTDF-GJZGRUSLSA-N 351.780 3.809 0 1 FHAF CC(=O)Oc1cccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)c1 1772617012 NPBNEFNTYWFZAA-UHFFFAOYSA-N 353.403 3.691 0 1 FHAF O=C(CCc1ccccc1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 206058900 PAQLEULJWUETTM-YOEHRIQHSA-N 372.827 3.673 0 3 FHAF O[C@H](c1cccc(C(F)(F)F)c1)c1n[nH]c(=Nc2ccccc2)s1 1857598784 JFYHMDDPUFEBDO-CYBMUJFWSA-N 351.353 3.804 0 1 FHAF CCOC(=O)c1cc(C#N)c(Sc2ccccn2)nc1C(F)(F)F 3046195 AXTLVNLFONGSKO-UHFFFAOYSA-N 353.325 3.695 0 1 FHAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)[C@H]1c1cccs1 2460019 WSIRVTNFBYMQFO-ZWKOTPCHSA-N 363.442 3.692 0 1 FHAF CC(C)(C)c1cc(Br)ccc1OCCCN1CCOCC1 20806879 DTNPYPPABYXPTE-UHFFFAOYSA-N 356.304 3.848 0 1 FHAF CN1CC[C@@]2(Cc3ccccc3CN(C(=O)Cc3cccc(Cl)c3)C2)C1 71993221 CEUDBFYIGUKTLN-JOCHJYFZSA-N 368.908 3.789 0 1 FHAF Brc1ccc(-c2nc(CNCCN3CCCCC3)co2)cc1 72184939 QVSWUFPRUDPYCU-UHFFFAOYSA-N 364.287 3.680 0 1 FHAF CN(Cc1coc(-c2ccc(O)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 72182464 QADQPVJNDUQCPY-FQEVSTJZSA-N 363.461 3.754 0 1 FHAF C[C@H]1CCCC[C@@]12CC(=O)N(Nc1ccc(Br)cc1)C2=O 40848236 PTOOQKSRXYJIGU-MEDUHNTESA-N 351.244 3.731 0 1 FHAF COc1cc(C(=O)c2sc(-c3ccccc3)nc2N)cc(OC)c1OC 84727630 QEFUFFRVMOOSSM-UHFFFAOYSA-N 370.430 3.649 0 1 FHAF COc1ccc([C@H]2SCC(=O)N2c2ccc3c(C)cc(=O)oc3c2)cc1 49708691 QQKLDOMSLUTNQX-HXUWFJFHSA-N 367.426 3.889 0 1 FHAF Cc1ccc2c(n1)OC[C@H]2NC(=O)Cc1cccc(C(F)(F)F)c1Cl 146651381 INLSXROHBSUFNR-CYBMUJFWSA-N 370.758 3.855 0 1 FHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4ccccn4)ncc23)ccn1 261101969 GNPIWTNLAMMZNP-ZDUSSCGKSA-N 373.420 3.606 0 1 FHAF O=C(NC1CCCCC1)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NC1CCCCC1 106594442 DXYPNJIKNCAFIE-CPLUKWAASA-N 358.526 3.713 0 1 FHAF biogenic COc1cc(OC)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587041717 PBSRRRHFMXDKCA-DOTOQJQBSA-N 355.463 3.526 0 1 FHAF COc1cc2c3c(c1)O[C@@](COC(C)=O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587418442 BDHMHXZGDHPUJW-JXFKEZNVSA-N 372.804 3.555 0 1 FHAF O=C1CSC[C@@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)N1 587043209 IOUGSVGRTDJGGZ-QMMMGPOBSA-N 369.290 3.505 0 1 FHAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(O)cc3[nH]2)cs1 587019418 LWHGQNUIKJBFLR-UHFFFAOYSA-N 365.418 3.960 0 1 FHAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586884043 OTYFNUKAUKOPHQ-UHFFFAOYSA-N 355.463 3.748 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc(Cl)n1 587552115 NNSXFYYIJCHKEE-QAPCUYQASA-N 354.749 3.539 0 1 FHAF COc1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587120261 UZHMUJAYPDVZRG-UHFFFAOYSA-N 350.344 3.714 0 1 FHAF O=C(/C=C\c1nc2c(F)cnc(Br)c2[nH]1)Nc1ccccc1 587243408 DGFSDIFJNFPPQX-SREVYHEPSA-N 361.174 3.511 0 1 FHAF Cc1c(F)ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 587237825 YQMUVPZMGUDDBS-UHFFFAOYSA-N 363.433 3.665 0 1 FHAF CCc1cc(O)nc(SCc2nc3ccc(C(F)(F)F)cc3[nH]2)n1 586967303 WWXCDVKRFNQRQI-UHFFFAOYSA-N 354.357 3.932 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2F)N1 587730129 WUFSNEJMNJTGSZ-JDNHERCYSA-N 353.210 3.920 0 1 FHAF COC(=O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2n1 586894731 BWLDHNNYCNQUMR-UHFFFAOYSA-N 359.385 3.571 0 1 FHAF C[C@@]1(c2cc[nH]c(=N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335747 MEYGFJIJZIOZMU-CTNGQTDRSA-N 364.376 3.613 0 1 FHAF Cc1cc([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(C)o1 962650400 ZIMLLBRDGGQLEN-FGZHOGPDSA-N 364.445 3.807 0 1 FHAF COc1cc2c(cc1F)[C@]1(CC2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618031 CSYRRDYCCAOGJD-WHEQGISXSA-N 371.452 3.918 0 1 FHAF COc1ccc(C2=NN(C3CCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC 13474117 OPMPGFFLKCUJGU-DLBZAZTESA-N 354.450 3.775 0 1 FHAF CC[C@H](CO)Nc1nc(NCc2ccccc2)c2nc(C)n(C(C)C)c2n1 13538301 FOFJAWWNTDQWJM-MRXNPFEDSA-N 368.485 3.511 0 1 FHAF c1ccc(CCCCN2CCN(c3cccc4c3OCCO4)CC2)cc1 13738296 ZKRPGPXPNMTYOU-UHFFFAOYSA-N 352.478 3.603 0 1 FHAF O=c1[nH]nc(Cc2cccc(CNC3CCCCC3)c2)c2c1CCCC2 167702441 VFBDMNNLRKYYOJ-UHFFFAOYSA-N 351.494 3.662 0 1 FHAF O=C(c1ccc(Cl)cc1)N1C[C@H](F)[C@@H](OCc2nc3ccccc3o2)C1 2356299076 VDHKDDUZBYWVAK-YOEHRIQHSA-N 374.799 3.861 0 1 FHAF COCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C(C)C 4400643 UZUKXJCIKSLPSQ-UHFFFAOYSA-N 353.875 3.676 0 3 FHAF O=S(=O)(c1cccc(Cl)c1)n1cc([C@@H]2CCCNC2)c2ccccc21 6013364 FUQPHANCZOHROJ-CQSZACIVSA-N 374.893 3.999 0 1 FHAF CC(=O)Oc1ccc(/C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1 103193079 QYNYVIHTKYXERJ-PLNGDYQASA-N 354.358 3.633 0 1 FHAF CCN(CC)Cc1cccc(C[C@@H]2Oc3cc(OC)c(OC)cc3C2=O)c1 101177583 XLIZCZUQXPPIHG-NRFANRHFSA-N 369.461 3.732 0 1 FHAF NC(=O)c1ccccc1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 64528164 ZDUCPWLDHOWNPE-UHFFFAOYSA-N 374.322 3.885 0 1 FHAF COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1C1CCCCC1 114028871 AFTRXYMELIZPCX-UHFFFAOYSA-N 361.467 3.571 0 1 FHAF CCC1=CC[C@]2(CO1)[C@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@]42CN(C)C1 2356454521 ONAGOPFNNJDPCW-WYULLRTRSA-N 371.521 3.928 0 1 FHAF COC(=O)C=C(C)C[C@H](O)[C@@]1(C)[C@@H]2CCC[C@](C)(O)[C@]2(C)CC[C@H]1C 2356656074 PTXPYBHMAVQSPJ-JFLLUYDKSA-N 352.515 3.850 0 1 FHAF CCc1cc(-c2[nH]nc(C)c2-c2cccc3c2OCCO3)c(O)cc1O 34717851 VLQZFFMOEQUMBR-UHFFFAOYSA-N 352.390 3.797 0 1 FHAF Cc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1NS(C)(=O)=O 39205138 CXQRKICWSCAUGW-UHFFFAOYSA-N 354.435 3.567 0 1 FHAF in-vivo O=C1NCc2ccccc2CC12CCN(Cc1ccccc1Cl)CC2 71993397 HWMZHALVTIDWDH-UHFFFAOYSA-N 354.881 3.795 0 1 FHAF Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C2=NC(=O)CS2)cc1 73314468 YIDKQMAIVFRLMJ-QGZVFWFLSA-N 353.422 3.915 0 1 FHAF Fc1cccc(OC2CCNCC2)c1-c1nc(Cc2ccccc2)no1 225200807 HYWNLPHNXXIZFB-UHFFFAOYSA-N 353.397 3.597 0 1 FHAF O=C(O)c1cc(-c2cccc(Cl)c2)nc2c1cnn2Cc1ccncc1 95582993 OBQYJVWFTVRFHF-UHFFFAOYSA-N 364.792 3.893 0 1 FHAF COCCn1cc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2 261189927 YSZGTYAHCXJWGC-VMBXEPDQSA-N 352.478 3.805 0 1 FHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]3CC[C@H]12 299821174 YJVVSONFMRLWTH-HYTNDUNFSA-N 359.510 3.926 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1cc(Cl)sc1Cl)O2 587409131 GSDLDLAWEGXOEJ-OAHLLOKOSA-N 372.229 3.891 0 1 FHAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cncc(Cl)c2[nH]1 587043585 SEPYPLHKXGYDFJ-LBPRGKRZSA-N 365.245 3.920 0 1 FHAF CC(=O)n1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2cc(C)cnc21 587389724 IYROWONVMWUBOG-NRFANRHFSA-N 363.417 3.776 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)O)c2)N1 587828442 SQWHQOCMMZWSRF-ABKXIKBNSA-N 364.214 3.910 0 1 FHAF C[C@H]1CN(C)[C@H](C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587762576 TUAHOALOKBORIT-SHFDMQKMSA-N 355.295 3.678 0 1 FHAF CCOC(=O)Cc1ccc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 586893978 XCDJJRPDFYREAK-VBKZILBWSA-N 352.434 3.814 0 1 FHAF COC(=O)c1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587558611 AYSNTAXTAKTLKP-UHFFFAOYSA-N 373.368 3.557 0 1 FHAF NC(=O)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587162026 BHDNMMGHVOCZLT-UHFFFAOYSA-N 374.375 3.720 0 1 FHAF CCO/C=C(\C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523631 LNMGQFCXCYEQFN-RYEVTAHJSA-N 358.434 3.773 0 1 FHAF CCOc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587589362 VBNNGODSDADKJB-GHTZIAJQSA-N 363.369 3.889 0 1 FHAF COC(=O)c1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587233939 XILGLTPYBFEUIR-STQMWFEESA-N 359.426 3.510 0 1 FHAF CC(C)COC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587788890 AIWNSPRYKLPLFO-PIGZYNQJSA-N 372.278 3.927 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc([C@@H](C)O)s2)N1 587855370 VFBCJZVCKCEEKI-WGZSSWNPSA-N 371.275 3.722 0 1 FHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(C(=O)O)cc(F)cc2[nH]1 587147724 QUZHSARBRCDNSA-UHFFFAOYSA-N 372.306 3.746 0 1 FHAF COc1ccc(C)cc1NCCCc1nc2cc(C(=O)O)c(F)cc2[nH]1 587229070 MRSDYYSKJMTXRZ-UHFFFAOYSA-N 357.385 3.762 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(Cc4ccccc4)c1)[C@@H](C2)C3=O 587431685 LQPFKVLFPZDORO-AVRDEDQJSA-N 360.413 3.603 0 1 FHAF O=C1c2ccccc2C(=O)N1[C@H]1CCCc2c(nc3cccc4c3c2CC4)C1 587212372 OFUIPCPAZCPQKD-HNNXBMFYSA-N 368.436 3.877 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nccc2cc[nH]c12 587587121 FSRRWHWJFFBAJC-IIBYNOLFSA-N 358.353 3.971 0 1 FHAF COc1ccc2c(c1OC)[C@]1(CCc3ccc4c(c31)CCO4)N(C)[C@H](C)C2 962619587 DSKUOGYLLPIPNL-QKFKETGDSA-N 365.473 3.705 0 1 FHAF CCC[C@H](C[C@H]1NCCc2c1c(C(C)C)nn2C)NC(=O)OC(C)(C)C 962915047 SZFAUGOCQZEXBK-HUUCEWRRSA-N 364.534 3.814 0 1 FHAF O=C(O)c1ccnc(-n2nccc2O[C@H]2CCCc3cc(F)ccc32)c1 146622249 QKDSOTUHFJKBQW-INIZCTEOSA-N 353.353 3.561 0 1 FHAF CC[C@H]1CN2CCc3c([nH]c4cc(OC)c(OC)cc34)[C@@H]2C[C@@H]1CCO 13459100 CMGYMWAXDJQKLJ-DEYYWGMASA-N 358.482 3.513 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3cccn3C)cc2)C[C@@H]2CC[C@@H]1N2C 169326540 NXORNPDSIJCZRC-IZZBFERCSA-N 352.478 3.822 0 1 FHAF COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 4665210 JJNFJJXNOKWCLQ-LJQANCHMSA-N 368.477 3.789 0 1 FHAF CC1=CC[C@]2(C)C(=O)C[C@](O)(C(C)C)[C@H]2[C@H](OC(=O)c2ccc(O)cc2)C1 15052143 WKEWZJPWSKTADE-YKWDRNOUSA-N 372.461 3.640 0 1 FHAF biogenic C[C@@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)N(C)C 27315616 SSNFEYQBTYMHFS-ZDUSSCGKSA-N 365.868 3.894 0 1 FHAF O=C(O)C[C@@H]1C[C@@H]1c1cccc(OCCc2ccc3c(n2)NCCC3)c1 28648214 OCTQRAGMJGKHHA-QFBILLFUSA-N 352.434 3.639 0 1 FHAF COC(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1 29478030 LKLPNVFXVZKFMI-UHFFFAOYSA-N 354.362 3.575 0 1 FHAF CCOC(=O)c1ccc2c(c1)C[C@H](NC[C@@H](O)c1cccc(Cl)c1)CC2 29562483 BXTHFJVBAFRCRI-WOJBJXKFSA-N 373.880 3.697 0 1 FHAF CC(C)c1ccc(CS(=O)(=O)c2ccc([C@]34CNC[C@H]3C4)cc2)cc1 35309627 BZKAUGWCSKECDP-CTNGQTDRSA-N 355.503 3.645 0 1 FHAF CC(=O)N1N=C(Nc2nc3ccc(Cl)cc3s2)C[C@@H]1OC1=CC=C1 45289601 MYDJUYAWVZSXAQ-HNNXBMFYSA-N 360.826 3.724 0 1 FHAF Fc1ccccc1Cc1nc(-c2nc(C(F)(F)F)n[nH]2)c2ccccn12 73197669 BHDXXPJSZHQTDV-UHFFFAOYSA-N 361.302 3.868 0 1 FHAF CCN(C)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc(F)cc1 82141355 KTUKNAOTWHUPKH-UHFFFAOYSA-N 368.412 3.888 0 1 FHAF Fc1cccc(CNc2ncnc3c2nc(C2CC2)n3C[C@H]2CCCO2)c1 82184712 QPEMASLBEWXFEK-MRXNPFEDSA-N 367.428 3.634 0 1 FHAF Cc1c(OCc2ccccc2)ccc2c(=O)n(Cc3ccccc3)c(=O)oc12 95563880 POFQHEHFHOGGNK-UHFFFAOYSA-N 373.408 3.890 0 1 FHAF Cc1cc2cc(NC(=O)C(=O)O)ccc2n1Cc1ccc(O)c(C(C)C)c1 103239823 STBCNYZBINGINI-UHFFFAOYSA-N 366.417 3.850 0 1 FHAF c1cc(OC2C[C@H]3CC[C@H](C2)N3)c2nc(-c3nnc4ccccn34)ccc2c1 117662221 OPXDNPAGMKMBTA-HZPDHXFCSA-N 371.444 3.606 0 1 FHAF c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)c(OCc2cscn2)c1 587029817 VFNOZIXYRPXIDK-UHFFFAOYSA-N 351.387 3.994 0 1 FHAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ncn1 587346527 MWYGZACQTYTSMY-CTNGQTDRSA-N 364.376 3.904 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3ccc(Br)cc31)O2 587372356 POVNDFZOTVNDHA-GOSISDBHSA-N 374.234 3.983 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3c(C)cnc3O)cc1)O2 587390264 LQSIEXJPSCHRQY-OAQYLSRUSA-N 363.417 3.658 0 1 FHAF COc1ccc([C@]2(C3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587413598 SLTREQRIPXVACA-QFIPXVFZSA-N 367.445 3.873 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccnc1C(=O)OCC)CC2=O 587490821 ZNXXVGOHHKJNKC-KRWDZBQOSA-N 355.390 3.623 0 1 FHAF O=C(NC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCc1ccccc1 587511275 JQBIKPCDRMCCEB-KRWDZBQOSA-N 365.429 3.826 0 1 FHAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cc(Br)ccc1O 587636902 OMVZCGAXPFDIHM-UHFFFAOYSA-N 374.190 3.874 0 1 FHAF CC[C@]1(c2c[nH]c(C(=O)O)c2)c2ccsc2CCN1Cc1cccnc1 962997364 MCRFZGHJKJPWMC-FQEVSTJZSA-N 367.474 3.881 0 1 FHAF COCCN(C)c1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cn1 963101422 AWPGDRDFWMFUKX-SFHVURJKSA-N 366.292 3.706 0 1 FHAF CN1Cc2c(C3=C[C@@H]4CNC[C@@H]4C3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772596246 NLPLTKCFYIPFQR-KGLIPLIRSA-N 360.436 3.942 0 1 FHAF Nc1ccccc1NC(=O)CCCCCCC(=O)NOCc1ccccc1 1857652299 NUNBOGCRDXXYGD-UHFFFAOYSA-N 369.465 3.796 0 1 FHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@H](CC5=CN[C@@H](N)C=C5)C4)(C[C@H](N)[C@H]31)O2 2356830111 JEKGBBHCTUXREV-UCKFZKMTSA-N 371.569 3.576 0 1 FHAF O=C(Nc1ccc(F)cc1)OCc1cn(Cc2cccc(Cl)c2)nn1 203462577 QLLBNEBBDNBYIL-UHFFFAOYSA-N 360.776 3.868 0 3 FHAF Cc1nc(N2CCCC[C@@H]2C)c2c(C)c(C(=O)N3CCCC3)sc2n1 753898 PFCWAYUGFNZJIW-LBPRGKRZSA-N 358.511 3.923 0 1 FHAF C[C@]1(C(=O)NCc2ccccc2Br)CON=C1c1ccccc1 767038 FLSORYOVDVBXAI-SFHVURJKSA-N 373.250 3.506 0 1 FHAF CCOC(=O)CSc1nc2ccsc2c(=O)n1C1CCCCC1 2925136 DKHQXCAGDZMTSH-UHFFFAOYSA-N 352.481 3.618 0 1 FHAF O=C(NCCCN1CCC[C@@H]2CCCC[C@H]21)c1cc(Cl)ccc1O 29395911 QYWUJPHKIYSCDR-WMLDXEAASA-N 350.890 3.820 0 1 FHAF NC(=O)N1C(=O)/C(=C(\O)c2ccc(Cl)s2)c2cc(Cl)ccc21 103298196 IHUZPJQKFXFTOM-QXMHVHEDSA-N 355.202 3.907 0 1 FHAF O[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCC(c2ccccc2)CC1 28100155 PLPWNYAZCNHLCF-DHIUTWEWSA-N 350.506 3.501 0 1 FHAF COCCc1nc2[nH]cnc2c2nc(-c3ccc(-c4ccccc4)cc3)nn12 27211492 ZCKQZNBYPKNEJN-UHFFFAOYSA-N 370.416 3.524 0 1 FHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@@H](CC5=CN[C](N)C=C5)C4)(C[C@@H](N)[C@H]31)O2 2356864878 XMHHIDXDIZSJNN-JPNCOZATSA-N 370.561 3.739 0 1 FHAF CCOc1ccccc1NC(=O)c1c(NO)cc(-c2ccccc2)oc1=O 223245079 RHQUSTQYZACMBX-UHFFFAOYSA-N 366.373 3.759 0 1 FHAF COc1ccccc1CNc1n[nH]c2c1Cc1cc(OC)c(OC)cc1-2 45290575 YXJOKHFTKJPOOQ-UHFFFAOYSA-N 351.406 3.619 0 1 FHAF COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(OC)cc34)[C@@H]1S2 220444546 PHUGLZHLZIFCMV-FQEVSTJZSA-N 366.442 3.988 0 1 FHAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 43746683 DBEPLOCGEIEOCV-SOOXLLGBSA-N 372.553 3.815 0 1 FHAF CO[C@]1(C)C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 253733616 GVLLBSGDOGQODH-MNZLEMJZSA-N 351.512 3.705 0 1 FHAF c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3NCCCN2CCOCC2)cc1 299845531 DDKVRRFJDHJDRR-WYZHKKSLSA-N 368.565 3.736 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(OC)cc1 587870355 GAUGZRASDJBUBN-UHFFFAOYSA-N 354.381 3.979 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ncc(Br)cc13)O2 587371728 MPELMZWYMJGBEH-HNNXBMFYSA-N 372.222 3.923 0 1 FHAF O=C(Nc1nc(Cc2nc3ccc(O)cc3[nH]2)cs1)c1cccs1 587019576 QEPHYZDTKGCKIY-UHFFFAOYSA-N 356.432 3.630 0 1 FHAF Cc1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1C 587774752 XIMHXBDQSMRMJI-WNWIJWBNSA-N 364.262 3.927 0 1 FHAF C/C(=C/[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC1CC1 587739532 AMHMWLPNQZBXDJ-DWRAQQKGSA-N 353.279 3.993 0 1 FHAF CCOC(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587042951 WNILZORULVSHOG-QZTJIDSGSA-N 367.474 3.686 0 1 FHAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(Br)nc3[nH]2)cc1 587934388 DIQZYBRKRRAKAH-XPTSAGLGSA-N 362.227 3.566 0 1 FHAF Sc1nnc(SCc2nc3cc(Cl)nc(Cl)c3[nH]2)s1 587026441 XEXVYZMBZVAEJK-UHFFFAOYSA-N 350.281 3.697 0 1 FHAF Cc1c(F)ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587131942 GLQYELCZLAHBHX-JTQLQIEISA-N 355.360 3.980 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(OC)cccc31)CC2=O 587493169 SMGPHKLDWPNZAT-NRFANRHFSA-N 354.402 3.997 0 1 FHAF Oc1nc(O)c2ccc(-c3ccccc3OCc3ccc(F)cc3)nc2n1 587371043 ZSKHCCHWNRPZOB-UHFFFAOYSA-N 363.348 3.821 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)nc2F)N1 587738338 NELMGQOOSNEHNW-UOWDBTKRSA-N 357.173 3.885 0 1 FHAF O=C1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 587607583 IBWHOVRDSXUKAM-DENIHFKCSA-N 374.348 3.558 0 1 FHAF CC[C@]1([C@H](C)CN(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587742918 VAFFHFOCSSQYLY-PSTGCABASA-N 357.311 3.925 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(/C=C\C(=O)Nc3ccccc3)nc2c1 587244557 PIOWKVBPOYYTBO-FPLPWBNLSA-N 355.781 3.655 0 1 FHAF Cc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587592339 GQTILUUABZAXPR-XMSQKQJNSA-N 373.364 3.510 0 1 FHAF CC(C)N1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587770286 SJRMTMRORXPCBJ-SJCJKPOMSA-N 355.295 3.822 0 1 FHAF C[C@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571871 RVFFGOMEBWAIAL-YLJYHZDGSA-N 351.333 3.803 0 1 FHAF COc1ccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)nc1OC 963000067 UKBSGSPFFHKKNY-IBGZPJMESA-N 367.474 3.703 0 1 FHAF CCOC(=O)[C@H](C[C@@]1(C)NCCc2cccc(-c3ccccc3)c21)C(C)=O 962656540 BHAAGDNHOYFHND-NFBKMPQASA-N 365.473 3.873 0 1 FHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cc(C(=O)OCC)n(C)n1 963226929 ITNJMOTXVHKFEN-QVKFZJNVSA-N 355.482 3.517 0 1 FHAF COc1ccc(CCNc2cc(-c3ccccc3F)nc3ncnn23)cc1 1772607665 CGCDUVKSLSZTNB-UHFFFAOYSA-N 363.396 3.594 0 1 FHAF CCNC(=O)c1sc2cc(Oc3ccnc(C(=O)NC)c3)ccc2c1C 1772642134 UFZTWLZOSIYMDU-UHFFFAOYSA-N 369.446 3.506 0 1 FHAF Cc1nnc(-c2[nH]c(Cc3ccc(O)cc3)c3oc4ccccc4c(=O)c23)o1 1772614129 FVNLLIMGEMSQTG-UHFFFAOYSA-N 373.368 3.929 0 1 FHAF COc1cc([C@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@@H]2C)cc2c1OCO2 15217745 ALMMZKOPVITQNK-NSWCWGQASA-N 370.401 3.675 0 1 FHAF endogenous,in-man COC(=O)C/C=C\[C@@H](C)[C@@H](OC)c1c(Br)ccc2c1OCO2 169343845 WGONEYCOJVMLLL-PLQJPXRRSA-N 371.227 3.621 0 1 FHAF COc1ccc2c(OCc3nnc4ccc(-c5ccc[nH]5)cn34)ccnc2c1 166082428 KCDQBMLVCDKXAJ-UHFFFAOYSA-N 371.400 3.860 0 1 FHAF CCN(CC)c1ccnc2c(NS(=O)(=O)c3ccccc3)cccc12 205639077 LOMYWNJUVHLVNY-UHFFFAOYSA-N 355.463 3.882 0 1 FHAF C[C@H]1[C@@H](OC(=O)NCc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711512 QCFYHGZEUHJMOX-PGVBMLAISA-N 370.493 3.873 0 3 FHAF COc1ccccc1CN1C[C@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356360525 HYTBLUFIXTWEPB-HNAYVOBHSA-N 356.397 3.576 0 1 FHAF CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1CCc1ccc(C)cc1 2913155 XJKOGRNTSVQQNJ-OXJNMPFZSA-N 350.462 3.649 0 1 FHAF CC1(C)C(=O)CC[C@H]2[C@@]13C=C[C@H]1[C@]4(C)CCC(=O)[C@@]4(C)CC[C@@]12C(=O)O3 2356441013 ZZCFOYQURYOXSX-WLJZMAIYSA-N 356.462 3.629 0 1 FHAF Cn1cc(NC(=O)N2CCCC[C@@H]2c2cccnc2)c2ccccc2c1=O 6899557 OBANGUWNSNKTOB-LJQANCHMSA-N 362.433 3.693 0 1 FHAF COc1ccc2cc(C(=O)NC[C@@H](c3ccccc3)n3ccnc3)oc2c1 53312583 RGTDKGMZVYPMQY-SFHVURJKSA-N 361.401 3.657 0 1 FHAF CC(=O)Nc1ccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)cc1 114031266 YCCKDGUXWPCDCH-HXUWFJFHSA-N 360.461 3.880 0 1 FHAF COc1ccc(-c2cncnc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22938163 XNSRMMMMRYDUFW-GMAHTHKFSA-N 374.488 3.735 0 1 FHAF COc1cccc(Nc2nc([C@H](N)COCc3ccccc3)cs2)n1 61906962 BSEATIOFJZYCAZ-CQSZACIVSA-N 356.451 3.507 0 3 FHAF C[C@@H](O)[C@]1(O)C[C@H]2[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 2356322154 ZOTNOPONJVMHKM-KISSFSPUSA-N 350.543 3.892 0 1 FHAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)N(C)Cc2ccccc2)cc1 2356490342 DYSCOVMMBSJHFM-CQSZACIVSA-N 366.417 3.676 0 1 FHAF CCCCC[C@H](O)[C@@H]1C(=O)c2c(cc3cc(O)cc(O)c3c2O)C[C@H]1C 28370200 MSQJTIQOPPIFHO-XQAQDONZSA-N 358.434 3.889 0 1 FHAF C=CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(OC)c(OC)c2)OC1 73224539 GHAWCBJACMYCAA-NRFANRHFSA-N 365.429 3.574 0 1 FHAF CCc1nc(C(=O)N[C@H](C(=O)OCCC2CCCCC2)C(C)C)cs1 82070373 IUYLPPBYDCMINE-KRWDZBQOSA-N 366.527 3.974 0 1 FHAF Cn1cc(-c2ccc(-c3cncc4ccc(N5CCOCC5)nc34)cc2)cn1 653819693 UBAGJSZELRSFGS-UHFFFAOYSA-N 371.444 3.534 0 1 FHAF C[C@]1(Cn2ccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339881 GJXMZVFSKBPCHZ-AZUAARDMSA-N 352.365 3.546 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CCN3Cc4ccccc4N[C@@H]31)CC2=O 587485298 RTRBVYIUGKLUTN-FCHUYYIVSA-N 364.445 3.706 0 1 FHAF CCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352840 YJTCPSQAHXJHEU-PZJWPPBQSA-N 372.392 3.992 0 1 FHAF FC(F)(F)c1ncc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc-2[nH]1 587076922 PEMJUNXRVDPKMC-LLVKDONJSA-N 367.718 3.594 0 1 FHAF Nc1ccnc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc12 587166629 YECUFVKPJHHHMX-UHFFFAOYSA-N 364.409 3.646 0 1 FHAF O=C1C[C@H]([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CO1 587536757 WGODZRLUKMIZAF-GAJHUEQPSA-N 362.425 3.989 0 1 FHAF CCCCc1ccc(-n2c(O)cc(CC(=O)O)c2O)c(Br)c1 587936840 MTPLAZRXZNLPSF-UHFFFAOYSA-N 368.227 3.621 0 1 FHAF Cc1ccc(-n2nc(C)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2O)cc1 587390721 NLSCBSJCJVINTE-GOSISDBHSA-N 363.417 3.792 0 1 FHAF O=C(O)COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587520461 BYKSVZLHTBRKIH-IBGZPJMESA-N 352.386 3.735 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(C(=O)OC)cc31)CC2=O 587484087 XRXGCKHAYSPQIS-QFIPXVFZSA-N 366.413 3.938 0 1 FHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccnc(Br)c2[nH]1 586880833 CBMZKCZCYQIGES-UHFFFAOYSA-N 372.222 3.649 0 1 FHAF Cc1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1Br 586970034 SLLKRBZQXIOIBI-UHFFFAOYSA-N 350.241 3.560 0 1 FHAF Cc1ccc2nc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)[nH]c2c1 962732289 ZBZNFOVSMSHAEJ-CVEARBPZSA-N 359.351 3.606 0 1 FHAF CCc1ccccc1-c1cccc2cc(CNC[C@H](N)C(=O)O)sc12 1772649107 JWSRNECCLVFGPX-SFHVURJKSA-N 354.475 3.632 0 1 FHAF CCc1c(Sc2ccc(Br)cc2)[nH]c2nc(N)nc(N)c12 14967420 OBDTUXPOQMMIAC-UHFFFAOYSA-N 364.272 3.598 0 1 FHAF CC(C)N(Cc1ccccc1)C(=O)Nc1cnc2ccc(Cl)cn2c1=O 169313107 MLUOZYSZCPKPEG-UHFFFAOYSA-N 370.840 3.790 0 1 FHAF CC(=O)N1CCCN(C2=Nc3ccccc3Sc3ccccc32)CC1 201455688 ADUPAIGMPJNSDL-UHFFFAOYSA-N 351.475 3.784 0 3 FHAF CC1=NC[C@@H](c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)N1 1857613295 DOOOIYCCISMYLF-KRWDZBQOSA-N 373.865 3.594 0 1 FHAF Cc1cc(C)n2cc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nc2n1 1857652963 FDTKEILMXITYEY-UHFFFAOYSA-N 372.407 3.897 0 1 FHAF CN(C)Cc1cc(C(N)=O)ccc1Oc1ccc(OC(F)(F)F)cc1 593143 MOEZDBSMUWWXGO-UHFFFAOYSA-N 354.328 3.538 0 1 FHAF CCCCCCNC(=O)c1cc(CCc2cc(O)ccc2O)ccc1O 1660475 GTQFMNGGLLWWNL-UHFFFAOYSA-N 357.450 3.899 0 1 FHAF CN(CCc1c[nH]cn1)C(=O)C[C@@H](c1ccc(Cl)cc1)c1ccccn1 13490232 UMWQGCHBOCVGSL-SFHVURJKSA-N 368.868 3.681 0 1 FHAF COc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)c1 13523662 BLGQPNNQPFYPEQ-UHFFFAOYSA-N 364.449 3.633 0 1 FHAF CCCCCCC(C)(C)C(=O)N[C@@H](COP(=O)(O)O)c1ccccc1 28004789 JGNVJYDLDUQXAV-INIZCTEOSA-N 371.414 3.950 0 1 FHAF COc1ccc(CCC(=O)N[C@H](CCN(C)C)c2ccc(C)cc2)cc1 28653983 LMVDOARECZMPPF-OAQYLSRUSA-N 354.494 3.745 0 1 FHAF Brc1ccc(-c2nc(CNCCc3ccccn3)co2)cc1 72182133 KWDBAWZEBNSZLY-UHFFFAOYSA-N 358.239 3.831 0 1 FHAF c1cc2c(cc1OC1CCOCC1)CCC1(CCN(C3CCC3)CC1)O2 73224759 YNKPLBQGWUHGHU-UHFFFAOYSA-N 357.494 3.957 0 1 FHAF Cc1cc(OCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1 95557395 XGRBKTASRZCJDH-UHFFFAOYSA-N 370.280 3.589 0 1 FHAF CN(C)CCCNc1nc(-c2ccc(Cl)cc2N)nc2ccccc12 95560541 CZLFGMOXMCZYBU-UHFFFAOYSA-N 355.873 3.896 0 1 FHAF O=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1N1CCCC1 95578933 ZUUMJVXPGUDZTR-UHFFFAOYSA-N 368.440 4.000 0 1 FHAF O=C(N[C@@H]1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1cccc(Cl)c1 95587487 MITKFNVRPAFJDS-GDBMZVCRSA-N 357.841 3.662 0 1 FHAF CC[C@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167030635 UDPAUZMNCPYPEV-ZDUSSCGKSA-N 355.413 3.902 0 1 FHAF O=c1[nH]nc(Cc2ccc(CNC3CCCCC3)cc2)c2c1CCCC2 167422706 WXNUQJKSIDOXDP-UHFFFAOYSA-N 351.494 3.662 0 1 FHAF COc1cccc(NC(=O)Oc2ccc3c(c2)CN2CCC[C@H]2N3C)c1 169294341 NVDKATMGTBTTNE-IBGZPJMESA-N 353.422 3.678 0 1 FHAF Cc1cccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 586954624 FHKMROGZPVSKER-UHFFFAOYSA-N 361.854 3.586 0 1 FHAF COc1ccc2nc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)sc2c1 587034543 HFXUGYIXBCHOMT-UHFFFAOYSA-N 351.313 3.609 0 1 FHAF Cc1cc(Cl)ccc1OCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 587066038 GOQGWIHLOSWSLY-UHFFFAOYSA-N 371.824 3.867 0 1 FHAF Nc1ccc(-c2ccc3nc([C@@H](N)c4ccc(F)cc4F)[nH]c3c2)cc1N 587151897 WNMYETFYTGEBEA-IBGZPJMESA-N 365.387 3.721 0 1 FHAF N[C@]1(c2nc3ccc(Br)c(F)c3[nH]2)C[C@@H]1c1ccccc1F 587158980 ZKEBRIXUYCGTJE-JDNHERCYSA-N 364.193 3.945 0 1 FHAF CC[C@]1(Cc2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587401296 VWAPPQGCEVPJON-NRFANRHFSA-N 355.434 3.951 0 1 FHAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 587586729 JICNMOGUGQUEES-WIYYLYMNSA-N 363.369 3.673 0 1 FHAF COc1cccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589349 UVHAYEBODKDKPL-UTKZUKDTSA-N 363.369 3.673 0 1 FHAF CCCC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590518 CKWRSEWLMRBVFG-WIYYLYMNSA-N 370.401 3.846 0 1 FHAF Cc1ccc(-c2cnnc(-n3ncc4ccc(Cl)cc4c3=O)n2)c(C)c1 587653473 WVATXKNAZXLZEH-UHFFFAOYSA-N 363.808 3.508 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccccn23)N1 587773832 KDFXJMGRVGEJMZ-BMLIUANNSA-N 360.230 3.860 0 1 FHAF CCOC(=O)C1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587794809 GRYQEVWVCAVSSE-QLJPJBMISA-N 370.262 3.681 0 1 FHAF CC(=O)OC1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587813410 VNQMDSKASQYXRC-OPFFKBQKSA-N 370.262 3.823 0 1 FHAF C[C@H]1C[C@]2(CS1)N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962922345 RGUMTCMKZFZCBN-FOPRYUNUSA-N 371.458 3.504 0 1 FHAF N=c1[nH]cc(-c2ccccc2)n1CCCCn1c(-c2ccccc2)c[nH]c1=N 1857756493 SMIYBZDHFDQUFF-UHFFFAOYSA-N 372.476 3.719 0 1 FHAF CC(=O)O[C@@H]1C[C@](C)([C@H](O)CO)C[C@@H]2CC[C@]34C[C@]3(C)CCC[C@@H]4[C@]21C 2356494081 QSSODZDQQRKYEP-ZILADGCBSA-N 364.526 3.684 0 1 FHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@H]1[C@]2(C)CCC[C@@]1(C)OC=O 2356611757 JOEMUKDFVFJYNY-BWUHRYBWSA-N 364.482 3.946 0 1 FHAF COC(=O)[C@@H]1CCC[C@]23[C@H](C)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@@H]12)[C@]43O 2356765091 NOYOVPKOEBZOML-RZAPSQEJSA-N 360.450 3.573 0 1 FHAF CO[C]1C(OC)=C(OC)C=C2C=CN(C)C(Cc3ccc(OC)cc3)=C12 2356864918 HNFAUUCSCVDVOS-UHFFFAOYSA-N 354.426 3.574 0 1 FHAF Cc1cccc2cc(CN(Cc3ccco3)C(=O)N3CCCC3)c(=O)[nH]c12 8582655 GSGOLUZWFWJVFX-UHFFFAOYSA-N 365.433 3.648 0 3 FHAF CCCCNC(=O)c1onc(CSc2cccc(Cl)c2)c1C(=O)O 8672371 SPCLTIDAODLHFD-UHFFFAOYSA-N 368.842 3.848 0 3 FHAF C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC(=O)[C@@]12SC#N 4775241 DWIXJBBZGSOVLL-LEEVSCAKSA-N 357.475 3.603 0 1 FHAF biogenic CS(=O)(=O)c1ccc(-c2sc3ncnn3c2-c2cccc(F)c2)cc1 27704530 IRGVDMLQKRCCHT-UHFFFAOYSA-N 373.434 3.667 0 1 FHAF CC(C)C[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)[C@@H](CC(C)C)C(=O)N1 103267039 QWAYUNUQNGRNBW-YRPNKDGESA-N 356.510 3.578 0 1 FHAF Cc1ccc2c3c(c(=O)oc2c1)CN(CCN1CC2CCC(CC2)C1)CC3 27748336 HZIITSHWBWJIDL-UHFFFAOYSA-N 366.505 3.582 0 1 FHAF COc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(OC)c3)[C@@H](OC)CO2)cc1O 2356566175 WTCGOQUMVRSMDU-ZRCAFCQKSA-N 374.433 3.678 0 1 FHAF CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)Oc2ccccc2)CC1 22460241 BJGCGXPXLXSBLO-APWZRJJASA-N 373.522 3.604 0 3 FHAF COc1c2ccoc2nc2c(OC)c(OCC=C(C)COC(C)=O)ccc12 2356760169 GMJWTAMJJUJKEN-UHFFFAOYSA-N 371.389 3.886 0 1 FHAF O[C@H](COc1cccc(-c2ccncc2)c1)CN1CCc2ccccc2C1 219730253 ZFUDMRPKVWOLFK-QFIPXVFZSA-N 360.457 3.547 0 1 FHAF CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 6692708 OSRHRAOBVGHGFZ-OGDHSWOFSA-N 372.461 3.722 0 1 FHAF biogenic CC[C@@H]1C=CCC[C@]2(C[C@@H]3CC[C@@H]4C[C@@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 14931169 LZFGLWWNBKSJRY-LRXQYKGQSA-N 359.514 3.699 0 1 FHAF biogenic COc1ccc(CN2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCO)cc1 72113137 OUFOPRTUJBVVNQ-IZBOUPIGSA-N 372.553 3.533 0 1 FHAF CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)O[C@H](C)c1ccccc1 49087764 LGSWSRRTZWCPOD-VGOFRKELSA-N 351.446 3.915 0 1 FHAF COc1ccc(C[C@@H](C)[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1OC 86048052 NJZFDQRQCKAWQT-LKBUQDJMSA-N 358.434 3.981 0 1 FHAF O=C(OCCS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 98084804 DJGOSMFWLDUPGN-UHFFFAOYSA-N 359.230 3.624 0 1 FHAF C[C@]1(C(=O)NCc2ccc(Cl)cc2Cl)CCCC(=O)N1C1CCC1 95565322 NFSCENKKXFEYBV-GOSISDBHSA-N 369.292 3.933 0 1 FHAF Cc1cc2c(-c3cncc(Cl)c3)cnc(NC3CCNCC3)c2nc1O 473128046 YCZXLMSDZNUJRP-UHFFFAOYSA-N 369.856 3.523 0 1 FHAF COc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cn1 587655864 CBUIOMWTHGUERM-UHFFFAOYSA-N 365.339 3.735 0 1 FHAF O=N[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587570910 JSJSKOLODJDPOW-KNKQGSTJSA-N 373.364 3.940 0 1 FHAF O=C1COc2cc3[nH]c(-c4cccc(-c5ccccc5)c4O)nc3cc2N1 586896917 MAFZDWFTGZTZTN-UHFFFAOYSA-N 357.369 3.933 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2C(F)F)N1 587713998 DQFLISQNKVOTIW-WPPNPWJKSA-N 374.204 3.883 0 1 FHAF CCOC(=O)[C@H](F)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986988 RYTXMIMDRJGGSK-GOSISDBHSA-N 351.333 3.726 0 1 FHAF N[C@H](Cc1nc2ccnc(Br)c2[nH]1)c1ccccc1Cl 587057711 QQVPNFDZAQJVGF-SNVBAGLBSA-N 351.635 3.616 0 1 FHAF O=C(NCc1nc2c(F)cnc(Cl)c2[nH]1)c1cccc(C(F)(F)F)c1 587110753 BAROLGWCNXOTFK-UHFFFAOYSA-N 372.709 3.699 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CCOC1 587865813 KELAGGRUODEDPE-GFCCVEGCSA-N 354.328 3.644 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1nc4cc(Cl)ccc4n1C)[C@@H](C2)C3=O 587418540 BYCZAMUWBIPWNQ-SGTLLEGYSA-N 354.793 3.724 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1c(Cl)nc4sccn14)[C@@H](C2)C3=O 587449981 CTCUVUYEBORUFZ-BTDLBPIBSA-N 360.822 3.721 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnco1 587859518 XUYVNGSKZVALAX-UHFFFAOYSA-N 352.177 3.932 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1Cc3ccccc3C(=O)O1)CC2=O 587491139 NHEABKRPEVRVSY-KNQAVFIVSA-N 366.413 3.850 0 1 FHAF C[C@@]1(c2ccccc2OCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587521041 HURSGROWMISPBA-QFIPXVFZSA-N 366.413 3.909 0 1 FHAF Cc1ccc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587771551 MGSQUOZGSSMOQO-XXFAHNHDSA-N 351.219 3.621 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1ncccc12 587585496 DZMUMALSTKIJPT-UGKGYDQZSA-N 359.381 3.981 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cnn(Cc4ccc(F)cc4)c1)[C@@H](C2)C3=O 587427536 IKHMCBRDHRQGJL-LAUBAEHRSA-N 364.376 3.568 0 1 FHAF Nc1nc(N)c2cc([S@](=O)c3cccc(-c4ccccc4)c3)ccc2n1 169315075 RUOCZUYNXMPQPK-AREMUKBSSA-N 360.442 3.628 0 1 FHAF CC(C)(C)OC(=O)N1CCC(Cn2ccc(=O)cc2C(F)(F)F)CC1 957615196 FVCVKYLQXMKFEM-UHFFFAOYSA-N 360.376 3.514 0 1 FHAF COc1cc2c(cc1OC)[C@@](CCCO)(c1ccc(F)cc1)N(C)[C@@H](C)C2 962620390 GNQNYWZKJNFRHH-OYHNWAKOSA-N 373.468 3.735 0 1 FHAF Cc1ccc2c(n1)NCC[C@]21c2ccsc2CCN1Cc1cccn1C 962397789 LYMBOOPWPPIVSF-NRFANRHFSA-N 364.518 3.908 0 1 FHAF CCC[C@@H]1C[C@@H](NCc2ccccc2)C[C@@]2(O1)C(=O)N(C)c1ccccc12 1772629528 XUHVBOWTOMUDBL-PWHSHALESA-N 364.489 3.996 0 1 FHAF CCCn1c(-c2cccc(OC)c2)nc2[nH]c(C3CCCC3)nc2c1=O 1772631799 PXYOVLXLEHMWCR-UHFFFAOYSA-N 352.438 3.863 0 1 FHAF CC(C)[C@H](CO)NCc1nc(-c2cccc(N3CCCC3)c2)ccc1F 204414503 UZAVRYZDDRNBNT-NRFANRHFSA-N 357.473 3.594 0 1 FHAF COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OC(=O)C1CC1 1857563550 QMQNWNVCHVPQGP-UHFFFAOYSA-N 365.385 3.885 0 1 FHAF Cc1ccccc1C(=O)NC[C@H]1Cc2c(F)ccc(-c3ccncc3)c2O1 11786413 AHOAXGSUXOTWFQ-MRXNPFEDSA-N 362.404 3.930 0 1 FHAF COc1ccc([C@@H]2CC(=O)c3c(O)cc4c(c3O2)C=CC(C)(C)O4)cc1O 13397624 IAYOSEMOKOQXBK-KRWDZBQOSA-N 368.385 3.997 0 1 FHAF biogenic Cn1c2c(ccc1=O)[C@@H](NCCc1ccc(Cl)c(Cl)c1)CCC2 13743278 LTBWJTYKXRWIJQ-INIZCTEOSA-N 351.277 3.902 0 1 FHAF COc1cc(OC/C=C(\C)CCC=C(C)C)c(C(=O)CO)c(O)c1OC 14588151 YKIAOKGXYJGHEC-NTEUORMPSA-N 364.438 3.656 0 1 FHAF C=Cc1n[nH]c2cnc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12 14962194 QVZTZUQJFINWOX-KRWDZBQOSA-N 371.444 3.612 0 1 FHAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C3CCCCC3)C(=O)N21 16040403 JHWKPXDWUDJCRM-QGZVFWFLSA-N 351.450 3.925 0 1 FHAF biogenic Cc1cccc(-n2nc(C)c3c(N4CCN(C)CC4)nc4ccccc4c32)c1 26752816 UTDKDPTYKUPLOX-UHFFFAOYSA-N 371.488 3.942 0 1 FHAF CCCCNCC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 28218577 KWRKDHQHGWBVGV-IBGZPJMESA-N 351.494 3.592 0 1 FHAF COc1ccc(-c2nnsc2-c2cc(OC)c(OC)c(OC)c2)cc1 28820901 PTUJUDBGAVZTMQ-UHFFFAOYSA-N 358.419 3.907 0 1 FHAF O=C(NCc1ccncc1)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 34831066 AKPNEMDFZVFVQL-UHFFFAOYSA-N 362.820 3.980 0 1 FHAF CNCc1cc(NS(C)(=O)=O)ccc1Sc1ccc(SC)cc1 40935613 VUQUGOYPDVYZTL-UHFFFAOYSA-N 368.549 3.651 0 1 FHAF Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4Cl)cc23)n1 45287878 DPOPBIKSYAJLLK-UHFFFAOYSA-N 352.785 3.948 0 1 FHAF NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)nc1 73168698 WWTONVSYAJGFBT-FQEVSTJZSA-N 374.444 3.705 0 1 FHAF CN1CC=C(c2ccccc2C(=O)OCCc2ccc3c(c2)CCO3)CC1 95596048 KYJWLDYGKDKBFQ-UHFFFAOYSA-N 363.457 3.740 0 1 FHAF C(=C/c1ccc([C@@H]2[C@H]3CN(Cc4cocn4)C[C@@H]2N3)cc1)\c1ccccc1 100109301 REHPBXNLYIBOES-RVPMJHOHSA-N 357.457 3.785 0 1 FHAF Cc1nc(Cc2cccc(Oc3ccccc3)c2)c2c(c1O)[C@@H](O)OC2=O 103242042 QGOZCMVVOFYVGW-NRFANRHFSA-N 363.369 3.640 0 1 FHAF Cc1nc(C)c(-c2ccc([C@H]3CC[C@@H](CCO)CC3)cc2)nc1C(N)=O 118461509 BUVUEKVZSMDFQG-WKILWMFISA-N 353.466 3.516 0 1 FHAF CCCCN1CCC(CNC(=S)c2cc(Cl)cc3[nH]cnc23)CC1 169322875 DIOOXYJEEWCJHX-UHFFFAOYSA-N 364.946 3.994 0 1 FHAF O=C(NCCCc1ccc(Cl)cc1Cl)[C@@H]1COc2ncsc21 220870850 QZEQUTAEBXUCAR-LLVKDONJSA-N 357.262 3.675 0 1 FHAF C[C@H]1[C@@H](c2ccc3c(c2)OCO3)O[C@@H](c2cc3c(cc2O)OCO3)[C@@H]1C 238769710 YDYDLBZCPHFYFA-FONMHXCRSA-N 356.374 3.934 0 1 FHAF CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1C[C@H](O)c1cc(O)ccc12 299865282 TVWNDZCYNFGPAB-DBBHOVQTSA-N 368.473 3.526 0 1 FHAF CCOc1ccccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473171409 VJYIRLFLDJIKOP-HFTRVMKXSA-N 370.424 3.692 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc12 587075677 KXQLZCFIXSSAMZ-UHFFFAOYSA-N 367.796 3.559 0 1 FHAF Clc1nccnc1N1CCC(c2nc3cnc4ccccc4c3[nH]2)CC1 587085350 UHWILVAZMZHMKB-UHFFFAOYSA-N 364.840 3.939 0 1 FHAF FC(F)(F)c1nn(Cc2nc3cc(Cl)cnc3[nH]2)c2c1CCCC2 587119974 LPCIXVJKBBUKLI-UHFFFAOYSA-N 355.751 3.754 0 1 FHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cncc(Cl)c4[nH]3)cc2N1 587126426 KAVMBKGZEOIIFV-WKEGUHRASA-N 356.739 3.782 0 1 FHAF Cc1cc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2c(C)n1 587144276 KRPONTJPEBZYGP-ZDUSSCGKSA-N 363.234 3.719 0 1 FHAF Fc1ccc(OCc2nc3cccc(I)c3[nH]2)cc1 587169564 ZKDUUYZWWFOLOL-UHFFFAOYSA-N 368.149 3.886 0 1 FHAF COC(=O)C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352611 PJQJCQXMVVRMIO-TZIWHRDSSA-N 372.392 3.848 0 1 FHAF COC(=O)C(C)(C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353123 QMANYOIVUDJGIN-LAUBAEHRSA-N 372.392 3.848 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(F)c(F)c1)[C@@H](C2)C3=O 587425960 ITPMNDMUAPHKHD-RNODOKPDSA-N 373.355 3.508 0 1 FHAF COc1cc2c3c(c1)OC1(CCN(Cc4cccc(F)c4)CC1)[C@@H](C2)C3=O 587426217 AUYQUGLBNRRCFB-SFHVURJKSA-N 367.420 3.617 0 1 FHAF COc1cc2c3c(c1)OC1(CCC4(CC1)OCC(C)(C)CO4)[C@@H](C2)C3=O 587449512 BSTBLRSHPGZRTC-HNNXBMFYSA-N 358.434 3.525 0 1 FHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccccn3)nc1)CC2=O 587492823 XRFMAZZEGCGLSO-LJQANCHMSA-N 361.401 3.903 0 1 FHAF O=C1C[C@@H](c2cccc(N3CCOCC3)n2)Oc2c1ccc1c2CCCC1 587518087 AGORGIHFTRKEHM-FQEVSTJZSA-N 364.445 3.504 0 1 FHAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587770307 IOJBVQUVWQMCBJ-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF Cc1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1C 587774750 XIMHXBDQSMRMJI-QPFGOUBPSA-N 364.262 3.927 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1CCO[C@@H]1C2(C)C 587837314 FQMZPLCLQXUEJM-SDHLHSCBSA-N 354.263 3.763 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COCc1ccccc1 587870280 CXPVNVKMAWSGPS-UHFFFAOYSA-N 354.381 3.945 0 1 FHAF COc1ccc2c(c1OC)[C@@H](c1c(C)nc3c(C)cccn13)N(C)[C@H](C)C2 962640254 ZHGOKOKLTLFSLV-VLIAUNLRSA-N 365.477 3.934 0 1 FHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2ccc(CN3CCCCC3)s2)N1 962925605 WIYQSHCEPKBLOL-QFBILLFUSA-N 374.481 3.561 0 1 FHAF CN1CCc2c(Br)cccc2[C@H]1c1ccc(F)cc1C(=O)O 963279699 JARKZLHYMZEGOR-INIZCTEOSA-N 364.214 3.864 0 1 FHAF Cc1cnc([C@@H](CC(=O)O)c2cccc(-c3ccccc3C(N)=O)c2)s1 1772602312 WDLUKBKVGLMITO-KRWDZBQOSA-N 366.442 3.824 0 1 FHAF O=C(c1cc(Cl)cc(Cl)c1)N1CCn2nc(-c3ccccn3)cc2C1 1857541159 LFXLESGSIWRKBL-UHFFFAOYSA-N 373.243 3.908 0 1 FHAF CC(C)=CCc1cc2c(c3c1[C@@H]1C[C@H](C3=O)[C@@H]1C)OC(C)(C)[C@@H](O)C2=O 1857597119 YRDFJEHXATZPAY-FFKKGALMSA-N 354.446 3.846 0 1 FHAF CC(C)c1nc2c(N3CCNCC3)ccnc2n1Cc1cccc(Cl)c1 1857749938 OQJMIPYHRMQITD-UHFFFAOYSA-N 369.900 3.666 0 1 FHAF COc1cc(C(=O)OC[C@@H]2CCN3CCC[C@]23C)cc(CC=C(C)C)c1O 2356516766 IYWSIDKNUJVAFH-PGRDOPGGSA-N 373.493 3.941 0 1 FHAF COC=C(C(=O)OC)[C@@H](C)[C@@H](C=Cc1ccc(Cl)c(OC)c1)OC 2356538444 DPNYGWABRKPFDE-MLGOLLRUSA-N 354.830 3.716 0 1 FHAF CCCCCC(=O)N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199715780 GKMYDBHPYMTZSO-QGZVFWFLSA-N 350.890 3.918 0 3 FHAF CC[C@@H](C)N(c1nc(C)nc2c1nnn2Cc1ccccc1)[C@H](C)CC 201489065 JHKOFAUQEHPVRC-HUUCEWRRSA-N 352.486 3.981 0 3 FHAF O=C(Nc1cccnc1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 4192718 KWZJSEIGYQNKLC-NHCUHLMSSA-N 369.424 3.557 0 1 FHAF O=C(N[C@H]1CN2CCC1CC2)c1cc(Cl)cc2c3c(oc12)CCCC3 28011802 IRZRAMWZPYYODF-KRWDZBQOSA-N 358.869 3.789 0 1 FHAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C)s1 26669765 JTHGVCMMUBHZQV-UHFFFAOYSA-N 354.457 3.636 0 1 FHAF Clc1cccc(-n2nnnc2NCc2cccc3c2CCO3)c1Cl 71341613 COWJWDIQKWETQH-UHFFFAOYSA-N 362.220 3.516 0 1 FHAF CCCCCCC(=O)OC[C@@]1(CO)C/C(=C/C2CCCCC2)C(=O)O1 45497448 YOHGGNOICHXJBN-PGNDWZGLSA-N 352.471 3.685 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C(=O)OC(C)(C)C)(C1=COCC1)CC2=O 587493684 UYQAQEXVGYDAEP-OAQYLSRUSA-N 374.433 3.695 0 1 FHAF Cc1cccc(CC(=O)c2c(CO)oc3cc(Br)cnc23)c1 587272951 FNIPJVBYBRRXGJ-UHFFFAOYSA-N 360.207 3.816 0 1 FHAF [O-][n+]1ccccc1SCc1nc2cc(Cl)cc(Br)c2[nH]1 586970084 UZTSSZRFXIXPKI-UHFFFAOYSA-N 370.659 3.905 0 1 FHAF N[C@H](N=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029714 SXGWTZIYBGHKCA-QGZVFWFLSA-N 365.418 3.989 0 1 FHAF O=S(=O)(Nc1ccccc1-c1nc2cnccc2[nH]1)c1ccc(F)cc1 587170359 PJYCMVGZRKRZCH-UHFFFAOYSA-N 368.393 3.565 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(Br)cc1C)O2 587373935 WBCHMBDXDFUWFG-KRWDZBQOSA-N 361.239 3.924 0 1 FHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc2nccn2n1 587866525 MKWFFQFCTGOOMN-UHFFFAOYSA-N 373.338 4.000 0 1 FHAF COc1ccc(C)cc1C(=O)CCc1nc2c(Br)ccnc2[nH]1 587786355 GEPNQZAINWCGBE-UHFFFAOYSA-N 374.238 3.853 0 1 FHAF COc1cc(OC)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1 587091677 NDAOSXRJZYILAO-UHFFFAOYSA-N 353.300 3.583 0 1 FHAF CCc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587774639 NEITVFWMMSNDOP-JDNHERCYSA-N 350.235 3.564 0 1 FHAF N=c1[nH]cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)nc-2[nH]1 587015585 RATXHUQMIOMQIP-UHFFFAOYSA-N 363.233 3.814 0 1 FHAF COc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)cc(OC)c1O 587784573 AQFGQJSQFFTWAL-UHFFFAOYSA-N 367.174 3.854 0 1 FHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccnc1)CC2=O 587492907 YLMVEECSJJEDOB-OAQYLSRUSA-N 369.417 3.554 0 1 FHAF C[C@]1(CN2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598093 WEBIXSSEALEGSD-GHTZIAJQSA-N 353.418 3.598 0 1 FHAF CC[C@]1(c2nccn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587752798 GFBLZYHZGGYIPM-HWPZZCPQSA-N 352.251 3.510 0 1 FHAF Cc1nc2[nH]c(/C=C3/OC(=O)c4ccccc43)nc2cc1Br 586905736 ADLSNGXPJUAHMV-NTUHNPAUSA-N 356.179 3.697 0 1 FHAF CO[C@]1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587602426 XPAHXPJFYUXDHG-DQLDELGASA-N 354.402 3.928 0 1 FHAF CC[C@H](C)c1ccc2[nH]c(-c3cnn(C)c3C)c(C(=O)C(=O)OC)c2c1 587641879 IDRJVKRLTVGWIL-NSHDSACASA-N 353.422 3.746 0 1 FHAF CSc1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587193545 LJPAIOQJGISDHK-UHFFFAOYSA-N 369.490 3.804 0 1 FHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587599516 GJBRATGMORZBSJ-NQIIRXRSSA-N 364.353 3.809 0 1 FHAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587233856 VYFXHVDQWAQSFR-STQMWFEESA-N 373.453 3.885 0 1 FHAF Cn1cccc1CN1CCc2sccc2[C@]12CC(=O)c1ccc(O)cc12 962398140 LZOGXANVYFSAAO-NRFANRHFSA-N 364.470 3.681 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962627442 PIMUEHFPMYLNFQ-RCDICMHDSA-N 369.461 3.615 0 1 FHAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2C)cn1 12474223 LMVIEOCZRGXJTI-UHFFFAOYSA-N 356.378 3.746 0 3 FHAF CCCN(C)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 13529279 OVJLBHULUOXYFR-LJQANCHMSA-N 355.478 3.584 0 1 FHAF CCOC(=O)C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 13604387 BZLFXLCUPYYHAL-PIBZIWMISA-N 358.478 3.933 0 1 FHAF Cc1nc2cnccc2n1CC1CCN(C(=O)CCc2ccccc2)CC1 13745827 CLLIQUHHIFGGJA-UHFFFAOYSA-N 362.477 3.611 0 1 FHAF COc1cc2c(cc1OC)[C@H]1C(=O)c3cc4ccoc4cc3O[C@@H]1CO2 15203337 QDVCTVPRLKNDMC-RTBURBONSA-N 352.342 3.570 0 1 FHAF biogenic,in-vitro COc1cc(-c2oc3cc(OC)c(CCCO)cc3c2C=O)ccc1O 167328018 MLYZEMJPXQRIJR-UHFFFAOYSA-N 356.374 3.560 0 1 FHAF Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Br)cc23)c(O)c1 1857572737 AWEXOWWIACUTCQ-UHFFFAOYSA-N 373.250 3.917 0 1 FHAF COc1ccc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cn1 1857578145 HCUHUHYJALOPBO-UHFFFAOYSA-N 351.406 3.567 0 1 FHAF O=C(O)CCc1ccc(NC[C@@H]2COc3ccc(Cl)cc3O2)cc1F 1857648706 QOBCVDFRFSGSQI-CQSZACIVSA-N 365.788 3.748 0 1 FHAF O=C(N[C@@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@H]1CCC[C@@H]2C1 3780036 ZIAMDRHEQRSMSY-QIIPPGSGSA-N 360.885 3.583 0 1 FHAF Cc1csc(N2CCN(CCCCc3sc(C)nc3C)CC2)n1 4217268 HGUWSZPRJQTWJN-UHFFFAOYSA-N 350.557 3.670 0 1 FHAF in-man Cc1nc2cnc(Oc3ccccc3)nc2n(CCc2ccccc2)c1=O 4238507 HJJPBDISBJXVQB-UHFFFAOYSA-N 358.401 3.530 0 1 FHAF CC[C@@H](C)NC(=O)c1ccc2c(SCC(=O)O)c3c(nc2c1)CCCC3 4885224 VQXOAJNZCPCACV-GFCCVEGCSA-N 372.490 3.819 0 3 FHAF Cc1nc2ccc(S(=O)(=O)CCC(=O)Nc3ccccc3C)cc2s1 6859629 SWJQJPBKDWKTGY-UHFFFAOYSA-N 374.487 3.716 0 1 FHAF O=C(O)CC[C@H]1C[C@H]1c1ccc(OCc2ccc3c(n2)NCCC3)cc1 28648208 ZLQCBMOQODJIPC-LPHOPBHVSA-N 352.434 3.987 0 1 FHAF Cc1cccc(Nc2ncnc3cc(NCCCCN(C)C)ncc23)c1 21289282 ANAQVLGHFOBDLP-UHFFFAOYSA-N 350.470 3.831 0 1 FHAF CC(=O)N(C)Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 66102602 HIUDEVMZIMWIIU-UHFFFAOYSA-N 351.372 3.748 0 1 FHAF Nc1ncc(-c2ccc(-c3ccccc3O[C@@H]3CCCNC3)cc2F)cn1 217830610 GBRWMWNBKQMHLY-MRXNPFEDSA-N 364.424 3.663 0 1 FHAF C[C@H](Nc1cc2c(cn1)cnn2-c1ccccc1C(N)=O)c1ccccc1 40980695 NOSBNKDMKOKZCH-AWEZNQCLSA-N 357.417 3.693 0 1 FHAF COc1ccc(/C=C2\CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C2=O)[C@@H]45)cc1 84669445 SZLIOMBSJQBKSL-CTBWNVRHSA-N 366.505 3.574 0 1 FHAF CC(C)[C@]1(O)CC[C@]2(C)C=C[C@](C)(O)C[C@H](OC(=O)c3ccccc3)[C@H]21 238787895 RLHMEXGBDMGLGZ-XRYRHKQGSA-N 358.478 3.726 0 1 FHAF CC(C)NC(=N)c1ccc(COc2ccc(C(=N)NC(C)C)cc2)cc1 96910536 IYIANSAYODQVCW-UHFFFAOYSA-N 352.482 3.912 0 1 FHAF C[C@@H](Cc1cc2c(cc1O)OCO2)[C@H](C)C(=O)c1ccc2c(c1)OCO2 40423837 NZZRRNMWPWPQPA-RYUDHWBXSA-N 356.374 3.547 0 1 FHAF biogenic CN(CCN)c1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12 653775798 VKMZBNFMPWCQLC-UHFFFAOYSA-N 369.881 3.955 0 1 FHAF CC(=O)OC1=C(C)[C@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806427 ASPPHOFLADRZMV-XYZCENFISA-N 368.246 3.949 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CC2)COC1 587609156 MIMVIZOSVGPEPR-KRWDZBQOSA-N 352.386 3.683 0 1 FHAF C[C@@H](O)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610483 GFFOQEAIRKUZCF-GIJMVEMTSA-N 368.410 3.692 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2C2CC2)N1 587767961 ZHELYEXUIFWXSN-VVVCHXIZSA-N 364.262 3.823 0 1 FHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 587040795 BZLQDRGYYXCJEC-VIFPVBQESA-N 359.282 3.885 0 1 FHAF CC(C)(C)OC(=O)NC1(c2nc3cc(F)cc(F)c3[nH]2)CCC(=O)CC1 587233839 DWKVYEMTTKUWBK-UHFFFAOYSA-N 365.380 3.704 0 1 FHAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(Br)ncc3[nH]2)c1 587050969 SSHYCHPMEGOHKJ-UHFFFAOYSA-N 365.618 3.999 0 1 FHAF CC[C@H]1OCCC[C@@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 586910222 HIZSBFCUPDKSND-GXFFZTMASA-N 367.243 3.785 0 1 FHAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587770304 IOJBVQUVWQMCBJ-BTDLBPIBSA-N 365.246 3.790 0 1 FHAF CCC[C@]1([C@@H](C)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589834 ARAJORJODVLGMO-IBNJYYFUSA-N 370.401 3.702 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC2OCCO2)N1 587828915 AZTADIUYWCTAPI-BONVTDFDSA-N 358.251 3.707 0 1 FHAF Oc1nc(S)nc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 587015767 KGGVTOITEWORNY-UHFFFAOYSA-N 361.839 3.791 0 1 FHAF COc1cncc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587189944 FFKNOOSAIUARIS-KRWDZBQOSA-N 368.437 3.923 0 1 FHAF Cc1nnc(N2CCC3(CC2)c2ccc(F)cc2C[C@H]2CCCN23)s1 963103958 GKZOWKOMCFWCOP-MRXNPFEDSA-N 358.486 3.502 0 1 FHAF Cc1nc2sccn2c1CN1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 11933136 ZIRGPLCZACRVDD-HNNXBMFYSA-N 370.478 3.509 0 1 FHAF CCC/C=C1/CCCO[C@](C(=O)NCc2cc(C)n(C)n2)(C(F)(F)F)C1 13828989 QYYAJYTXHSTGBZ-UBWHZCOUSA-N 373.419 3.573 0 3 FHAF CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CC[N@@]2C[C@@H]2C)c(C)c1 1857742114 NCVFXEZVQBNROF-UWJYYQICSA-N 365.539 3.934 0 1 FHAF CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)c1 772770 JAZYWZJANYIPBN-PKOBYXMFSA-N 372.852 3.919 0 1 FHAF COc1cc2c(cc1OC)CN1CCCc3cc(OC)c(OC)cc3[C@@H]1C2 1856964 TVBRYPWZLXTVSF-SFHVURJKSA-N 369.461 3.767 0 1 FHAF CCCCC[C@H](O)/C=C/[C@@H]1O[C@@H]2C[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 27706909 DSNBHJFQCNUKMA-HKNQZBHFSA-N 352.471 3.815 0 1 FHAF Cc1nc(SCC(=O)Nc2nccs2)n(Nc2ccccc2)c1C 103189146 ADBMNZGSZCQLNK-UHFFFAOYSA-N 359.480 3.562 0 1 FHAF COCCn1ncc2c1[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C2 28528630 INEQZVGATSEVNJ-KEZQHZCBSA-N 352.478 3.805 0 1 FHAF Oc1ccc2nc(Br)n(-c3ccccc3Br)c2n1 118270726 IQNMOSSBTXYEAE-UHFFFAOYSA-N 369.016 3.651 0 1 FHAF CCOC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc12 40564990 SDYJEGUCHISGLC-UHFFFAOYSA-N 363.822 3.708 0 1 FHAF COc1ccc(-c2cc(NC(=O)CCCCN3CCC(C)CC3)n[nH]2)cc1 84740980 BRVURYNCYHYNFR-UHFFFAOYSA-N 370.497 3.926 0 1 FHAF CCCOc1ccc(N2CC(c3ccc(C[C@@H](C)NC(C)=O)cc3)C2)cn1 149627182 ZZFKKXFJUJLMTM-MRXNPFEDSA-N 367.493 3.541 0 1 FHAF O=c1ccc2cc(OCc3cn(-c4ccccc4Cl)nn3)ccc2o1 142161419 IZHORTRZUQLIHQ-UHFFFAOYSA-N 353.765 3.606 0 1 FHAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1C[C@H]1O[C@]12C1=CC(=O)OC1 255210976 FWXTYYFMBZQZKN-SPZVTSGMSA-N 372.505 3.621 0 1 FHAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2cccnc2)O[C@H]1c1cccnc1 261155789 PWOHCYHMAOOXIW-LVPQRBQTSA-N 354.406 3.691 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ncccn4)cc1)[C@@H](C2)C3=O 587437032 VPOGDTKTMZZRBP-HTAPYJJXSA-N 374.396 3.940 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)OC(C)(C)C)N1 587751949 CEFMOFLGZIFDKL-BXKDBHETSA-N 373.266 3.688 0 1 FHAF C[C@@H]1Cc2nc3ccc(O)c4c3c(c2C[C@H]1C(=O)O)-c1ccccc1C4=O 586989558 BFZBNVHWZREJAS-ZWNOBZJWSA-N 359.381 3.587 0 1 FHAF CCn1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587763283 IUNJZFXZAYODFV-XXFAHNHDSA-N 352.251 3.737 0 1 FHAF CC(=O)N[C@@H](Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1 586985175 KZYSTURBIMTDQS-INIZCTEOSA-N 358.239 3.745 0 1 FHAF COc1cccc(-c2ccc(-c3nc4c(N)ncnc4[nH]3)c(Cl)c2)c1 587052378 QVDCLSGGESKFNC-UHFFFAOYSA-N 351.797 3.931 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1nn(C)c4cccc(Cl)c14)[C@@H](C2)C3=O 587424294 YPFXNPBLRRYYKS-WLRWDXFRSA-N 354.793 3.724 0 1 FHAF COC(=O)c1ccnc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12 587224123 DTXWXJDZMXMNEJ-ZDUSSCGKSA-N 374.441 3.501 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cccnc1-c1ccco1 963609746 OEWRMBOZZLYULB-ZSEKCTLFSA-N 350.418 3.982 0 1 FHAF Fc1ccc2nc(Cl)c(Cn3nnc(Cc4ccccc4)n3)cc2c1 1772645967 CKNGJIPYKIAJBJ-UHFFFAOYSA-N 353.788 3.653 0 1 FHAF CC(C)OC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl 5760813 LKXJESTUTBOTSI-UHFFFAOYSA-N 365.788 3.788 0 1 FHAF Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2ccccc2Cl)n1C 14944724 YQCFLWOKLAPQTR-VKAVYKQESA-N 358.916 3.636 0 1 FHAF C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC(=O)[C@@]12SC#N 17042757 DWIXJBBZGSOVLL-ZVMONYEMSA-N 357.475 3.603 0 1 FHAF biogenic CCOC(=O)Cc1[nH]c(C(=O)c2ccccc2)cc1C(=O)c1ccccc1 1641864 REZFSUNILFILJR-UHFFFAOYSA-N 361.397 3.582 0 1 FHAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1CCc1ccc(C)cc1 2913159 XJKOGRNTSVQQNJ-JXFKEZNVSA-N 350.462 3.649 0 1 FHAF C[C@]12CC[C@H]3c4ccc(OC(=O)CCC(=O)O)cc4CC[C@@H]3[C@@H]1CCC2=O 3872514 VSHNBNRUBKFQCR-ORGXJRBJSA-N 370.445 3.882 0 1 FHAF in-vitro CCOc1ccc(-c2nn(C3CCCCC3)c3ncnc(N)c23)cc1OC 8581979 HKWNGVFHUCRTTQ-UHFFFAOYSA-N 367.453 3.988 0 1 FHAF CC1CCN(c2ncc3c(n2)CCN(Cc2ccc(F)c(F)c2)C3)CC1 21039566 VEUPAEQKPINMRK-UHFFFAOYSA-N 358.436 3.549 0 1 FHAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 2356648426 ZSBJUJRRNBAXIC-RCCFBDPRSA-N 366.509 3.881 0 1 FHAF CC(=O)OCC1=C[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C(C)C)=C3[C@@H]2C[C@@H]1O 13413227 HATYVUGWHSLHBM-YOWRRBNZSA-N 362.510 3.770 0 1 FHAF biogenic Cc1cc2c(s1)c1cnn(Cc3ccc(F)c(F)c3F)c(=O)c1n2C 36380289 NOZQDFSANILJNV-UHFFFAOYSA-N 363.364 3.724 0 1 FHAF CC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1 43121732 ASOKHEVFZLQTPE-UHFFFAOYSA-N 354.439 3.670 0 1 FHAF COC(=O)c1cc2cc(NCc3ccccc3OC(F)(F)F)cnc2[nH]1 148959488 HTHQLVURVDDLOJ-UHFFFAOYSA-N 365.311 3.860 0 1 FHAF CCOc1ccc(CCNC(=O)c2cc3ccsc3n2C)cc1OC 198386164 PTQFGCUGQQJQAS-UHFFFAOYSA-N 358.463 3.620 0 3 FHAF CC1(C)OCc2c(Nc3nsc4ccccc34)nc(-c3cn[nH]c3)nc21 653708735 KEHGPMVXFROKID-UHFFFAOYSA-N 364.434 3.985 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]1NC(=O)OC(C)(C)C)CC2=O 587471888 WJWIRFIFRUHRDN-UZLBHIALSA-N 361.438 3.736 0 1 FHAF O=C(O)CC[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587514697 IZQAPJMKESUGQS-OAQYLSRUSA-N 351.402 3.686 0 1 FHAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587152366 ZNDRCUVYNKXINV-GFCCVEGCSA-N 361.392 3.922 0 1 FHAF COc1ccc(C=O)cc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587788108 WJWJLGPNCKFIRL-UHFFFAOYSA-N 358.401 3.882 0 1 FHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)cn1)[C@@H](C2)C3=O 587420493 XOIAISKFMRAGOW-SJCJKPOMSA-N 360.207 3.516 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(F)cc1 587870460 JWUBIHBMYPKQKH-UHFFFAOYSA-N 358.344 3.946 0 1 FHAF CC(=O)c1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 587028863 ASLNAABTDXJMHQ-UHFFFAOYSA-N 364.430 3.915 0 1 FHAF CCc1ccc2nc(-c3cccc(S(=O)(=O)N(CC)CC)c3)[nH]c2c1 586930620 MXETZAUGUPSESD-UHFFFAOYSA-N 357.479 3.823 0 1 FHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](C)Nc2ccccc21 587483668 LJQSARTXHYMODY-QKVFXAPYSA-N 351.402 3.589 0 1 FHAF CCOC(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586913529 PRPNZOJWPJVKHC-UHFFFAOYSA-N 366.417 3.542 0 1 FHAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587168812 NHBPPLOGNCSWQF-CQSZACIVSA-N 354.429 3.594 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ncccc12 587587364 GEYOMQSYQJXUEM-FXAWDEMLSA-N 358.353 3.971 0 1 FHAF CCN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345953 QTVHLHAYDLRTNL-LJQANCHMSA-N 355.409 3.745 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCN(C)C)c1)CC2=O 587467163 DKAHFYPOQVXERG-NRFANRHFSA-N 369.461 3.992 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cncn23)N1 587774723 XBPXJSVNBBOKND-DYZYQPBXSA-N 360.230 3.860 0 1 FHAF CN1C(=O)C[C@H]2CN[C@](C)(c3ccc(-n4cccc4)cc3)c3cccc1c32 963033215 QIKQBLNPSFBICL-QMHKHESXSA-N 357.457 3.794 0 1 FHAF Cc1nccn1CC[C@]1(C)NC2(CC2)Cc2ccc(Br)cc21 961617756 VXZZQFZYROTSSL-KRWDZBQOSA-N 360.299 3.938 0 1 FHAF COc1cccc2cc3c(nc12)[C@@H]([C@H]1CCN(Cc2ccccc2)C1)NCC3 963066059 LLUZGUQUJKZZGR-NZQKXSOJSA-N 373.500 3.952 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1coc3ccccc3c1=O)N(C)[C@H](C)C2 962645545 ZXUAOPZDMFPVKO-LRTDBIEQSA-N 365.429 3.776 0 1 FHAF CCc1ccc([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)[nH]1 963175725 HIVCGTPTZWIODB-CABCVRRESA-N 372.774 3.938 0 1 FHAF COc1cc(Cl)cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c1 1772623576 HKGRBYPNTUQMLJ-UHFFFAOYSA-N 372.852 3.514 0 1 FHAF O=C(C1=N/C(=C\c2c[nH]c3cc(O)ccc23)C(O)=N1)c1c[nH]c2ccccc12 14686769 DOCOAQYXWJFYRB-WSVATBPTSA-N 370.368 3.947 0 1 FHAF O=C1CCC/C=C/C[C@H]2C(=O)C[C@@H](O)[C@H]2/C=C\[C@@H](CCc2ccccc2)O1 169290111 WWHYWVRAJPRWHZ-MLSXKIQCSA-N 368.473 3.784 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(N)c3)cc2)C[C@@H]2CC[C@@H]1N2C 169310984 FNFCKPGBCJVUBJ-WOZUAGRISA-N 350.462 3.675 0 1 FHAF CCCCn1c(O)c2n(c1=O)[C@H](c1ccoc1)c1[nH]c3ccccc3c1C2 169717797 UGJAOCJGOXRJID-LJQANCHMSA-N 363.417 3.772 0 1 FHAF Cc1ccccc1/C=C1\CNC[C@@H]2C1=NC(=S)N[C@@H]2c1ccccc1C 169729975 GTZSGHNRRUJVMX-XCPVYAQNSA-N 361.514 3.977 0 1 FHAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccccc3Cl)CC2)c1 1857750819 RCUFXHNFIBRDCK-UHFFFAOYSA-N 374.941 3.866 0 1 FHAF CCN(CC)CCOc1ccccc1O[C@@H](Cc1ccccc1)[C@H](C)O 1846827 IRAGMKKYEVTXEC-AVRDEDQJSA-N 357.494 3.778 0 1 FHAF CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 13684699 WTIOICFLVWQZCC-RBUKOAKNSA-N 360.885 3.837 0 1 FHAF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2C)cc2c1OCO2 15217746 ALMMZKOPVITQNK-YZAYTREXSA-N 370.401 3.675 0 1 FHAF endogenous,in-man COc1ccc(N2C(=O)C[C@@H]([C@H]3C[C@@H](C(C)(C)C)CCC3=O)C2=O)cc1 17221477 ZJAKQAZFSNFVHD-XKQJLSEDSA-N 357.450 3.606 0 1 FHAF COc1cccc(-c2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1 26491556 VJIFTPWLQTWUEM-UHFFFAOYSA-N 353.374 3.837 0 1 FHAF O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccccn1 29555561 CRZRMVSMWOPQQN-UHFFFAOYSA-N 368.400 3.930 0 1 FHAF O=C(Nc1ccccc1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1 40408391 WATMTTMLMLQUGF-UHFFFAOYSA-N 361.361 3.688 0 1 FHAF Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1cccc(F)c1 58580881 BCDSIEWCDJJLIO-UHFFFAOYSA-N 360.820 3.508 0 1 FHAF O=C(CCCCC(=O)OCCCCCCCO)OCCCCCCCO 59588480 UDCUBNHPSHYCIF-UHFFFAOYSA-N 374.518 3.519 0 1 FHAF biogenic,in-vitro CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cn3)nc2c1 73294736 WMSIURBYHHBXNS-UHFFFAOYSA-N 371.340 3.779 0 1 FHAF CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F 82159095 LGZJNQCEZXSCST-GJZGRUSLSA-N 370.472 3.857 0 1 FHAF Cn1cc(-c2cnc(N)c(-c3nc4cccc(-c5ccccn5)c4o3)c2)cn1 84653251 QOJJPDHEAMOZCC-UHFFFAOYSA-N 368.400 3.935 0 1 FHAF O=C1N(Cc2ccccc2)CCCC12CCN(c1nc3ccccc3[nH]1)CC2 96173048 JGQMNLQDUUXCLD-UHFFFAOYSA-N 374.488 3.972 0 1 FHAF O=c1[nH]c(=O)c(Cc2nccs2)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1 101598395 BQKFLGKVHUYRPC-SHTZXODSSA-N 367.474 3.552 0 1 FHAF O=C(c1nc2ccccc2s1)N1CC(c2nccnc2-c2ccccc2)C1 140179028 ZANCFGZXXVTYDU-UHFFFAOYSA-N 372.453 3.993 0 1 FHAF O=C(CN1CCCC1)Nc1ccc(OC2CCN(C3CCCC3)CC2)cc1 149402396 UEENXOLINXJHOJ-UHFFFAOYSA-N 371.525 3.507 0 1 FHAF CN(C)C(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169324117 KZGZRFUHUPKRGX-WIXXTZPESA-N 365.304 3.948 0 1 FHAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CC[C@@H](F)C3)cc2n1 221604884 MDJSWKIKWQMHSU-MRXNPFEDSA-N 367.399 3.684 0 1 FHAF COc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)ncn1 224553435 IPXCWFFIJGZCDH-UHFFFAOYSA-N 367.384 3.723 0 1 FHAF COC(=O)/C=C(\C)CC[C@@H]1C(C)=C[C@@H](O)[C@@H]2[C@@](C)(CO)CCC[C@@]12C 238737261 HXAKMRKMIMKHHX-XQISGVCRSA-N 350.499 3.628 0 1 FHAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 586948690 SIFQZLGGIGSZHA-UHFFFAOYSA-N 351.378 3.658 0 1 FHAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cccc(C(F)(F)F)c2[nH]1 586961139 FXFIKYUOLPOFBQ-LURJTMIESA-N 355.345 3.513 0 1 FHAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(F)c(F)cc2[nH]1 587065520 SNBOOYGYLSNBNC-UHFFFAOYSA-N 352.724 3.895 0 1 FHAF CCOC(=O)Cc1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587085055 XPMRFDNJOHOUJW-UHFFFAOYSA-N 355.825 3.797 0 1 FHAF COc1c(F)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F 587134189 BCFNAELHNBFGCC-UHFFFAOYSA-N 364.661 3.931 0 1 FHAF COC(=O)CC[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587383853 HCRCULOCAOKIJQ-FQEVSTJZSA-N 357.381 3.530 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(OC[C@H]3CO3)cc1)O2 587412326 NDQNHPRQZZAHRF-JTSKRJEESA-N 367.445 3.712 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ncccn4)cc1)[C@@H](C2)C3=O 587437033 VPOGDTKTMZZRBP-JTSKRJEESA-N 374.396 3.940 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)CNCC3)CC2=O 587486642 SAVMQVVTUIJCSY-QFIPXVFZSA-N 351.446 3.871 0 1 FHAF Cn1ccnc1[C@@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587510531 AWUSOCUGTYLPTD-QFIPXVFZSA-N 366.461 3.586 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1OCO2 587606834 FEKLWYUBZPSMRC-LAUBAEHRSA-N 362.337 3.824 0 1 FHAF CC[C@@]1(c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587753545 BDBASXQKHAVWRQ-BTDLBPIBSA-N 366.278 3.818 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCN(C)CC2)N1 587765752 DEZHQEWKEUJDFF-GTNSWQLSSA-N 355.295 3.679 0 1 FHAF C(=C\c1ccccc1)\COCc1nc2ccc(CN3CCOCC3)cc2[nH]1 587781154 QWIQGKKDNDSFQG-DAXSKMNVSA-N 363.461 3.625 0 1 FHAF COC(=O)c1cc2[nH]c([C@H]3CCc4ccc(OC)cc4C3)nc2cc1OC 587945477 FPFLQIJRPXBFSN-ZDUSSCGKSA-N 366.417 3.639 0 1 FHAF O=C(O)/C=C/C=C\c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 587969448 SVBVROLTGHIJEA-HSFFGMMNSA-N 361.117 3.998 0 1 FHAF CCc1ccc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962971048 SHSZEJAIAAMACE-SJKOYZFVSA-N 355.768 3.636 0 1 FHAF COc1ccc2oc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cc2c1 963233597 PAKPLRJNQCRUNP-WIYYLYMNSA-N 374.396 3.678 0 1 FHAF COc1cccc([C@]2(C3CC3)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1 963640635 WXDDESDJDGGEGC-FPTDNZKUSA-N 353.462 3.900 0 1 FHAF CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(C(F)(F)F)c1 1772655094 FOLNQCRAYGQBST-UHFFFAOYSA-N 351.416 3.928 0 1 FHAF CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)on1 1857560050 SEEMNNCNSOUAFK-CYBMUJFWSA-N 352.438 3.868 0 1 FHAF COc1ccccc1C(=O)N[C@@H](CC(=O)O)c1ccc(Cl)cc1Cl 1857746583 CHZBGPGKLAZYIO-AWEZNQCLSA-N 368.216 3.948 0 1 FHAF COc1ccc(C=Cc2cc(OC)c(OC)cc2CCN(C)C)cc1OC 2356395242 OBTBQXYTSLCBFW-UHFFFAOYSA-N 371.477 3.996 0 1 FHAF C[C@@H]1OC(c2ccc3ccccc3c2O)=N[C@@H]1C(=O)OCc1ccccc1 2382219351 ASTPWLJKELPJJC-LIRRHRJNSA-N 361.397 3.823 0 1 FHAF COc1ccc(Cl)cc1N1C(=O)[C@H]2CCCN2[C@H]1c1ccc(F)cc1 58046760 KTNDCZAEYZQVHN-CRAIPNDOSA-N 360.816 3.998 0 3 FHAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CC)cc1 775681 HKUCKTYYAGAFPX-CQSZACIVSA-N 360.454 3.539 0 1 FHAF CC=CC=C[C@@H]1C[C@@H]2OC(C)(C)[C@@H]3CC=C(C)C[C@@H]3[C@@H]2[C@@H](O)[C@H]1C(=O)O 2356333197 OOJIJOYRIABZDN-SXWOMNNJSA-N 360.494 3.966 0 1 FHAF COc1ccc(Cl)cc1N1CCN(C2C[C@@H]3CCC[C@@H](C2)N3C)C1=O 100797976 ORXGEDDDAKFJGM-GJZGRUSLSA-N 363.889 3.606 0 1 FHAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N(C)Cc1cccnc1 2356303029 KBDAHIIRZDEUOV-GFCCVEGCSA-N 371.824 3.716 0 1 FHAF O=c1c2c(ncn2CCc2ccccc2)c2cccnc2n1-c1ccccc1 26731432 IXLSNKLSZXXUQX-UHFFFAOYSA-N 366.424 3.978 0 1 FHAF C[C@@]12C[C@](C)(c3ccoc3)OC(=O)[C@H]1CC[C@@]13COC(=O)C1=CC=C[C@@H]32 2356416764 FNXLHOABSOYWTJ-ZIYWJCFISA-N 354.402 3.514 0 1 FHAF FC(F)(F)OCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1 36093180 JYDUTNYIMCRLJX-UHFFFAOYSA-N 370.337 3.796 0 1 FHAF N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCCc1ccccc1 1911578032 KWBWMXDITXKSDK-QGZVFWFLSA-N 351.277 3.612 0 1 FHAF O=c1nc(SCc2ccccc2)nc(SCc2ccccc2F)[nH]1 72123253 RSJDFTPJBMVFEC-UHFFFAOYSA-N 359.451 3.889 0 1 FHAF CCOc1ccccc1-c1nc(C(=O)NCc2ccccc2N)cs1 82074804 OFTNFSLXUZIYGX-UHFFFAOYSA-N 353.447 3.721 0 1 FHAF CC(=O)Nc1nc(C)c(-c2csc(NC[C@H](O)c3ccccc3)n2)s1 135654701 CAVBNEXXGUHPSL-AWEZNQCLSA-N 374.491 3.679 0 1 FHAF COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 146839790 FHWOSRUUSHMKKA-WEVKLEIESA-N 356.466 3.595 0 1 FHAF Cc1ncc(C)n2nc(CCc3ccc4cc(C#N)c(Cl)cc4n3)nc12 144591075 ZSQKRTOPDCDODI-UHFFFAOYSA-N 362.824 3.600 0 1 FHAF CC(=O)N1N=C(c2ccc(C)nc2)O[C@]1(C)c1cccc(Br)c1 96932232 OQNDCJLMXUOXEY-QGZVFWFLSA-N 374.238 3.566 0 1 FHAF O=C(Nc1[nH]nc(-c2ccc(O)cc2)c1-c1ccc(O)cc1)c1ccncc1 653901872 VTYXYAOAXNVJQV-UHFFFAOYSA-N 372.384 3.802 0 1 FHAF Cc1nc2[nH]c([C@@H](O)c3ccccc3Cl)nc2cc1Br 587059359 OWPLMJOEANCCIS-LBPRGKRZSA-N 352.619 3.764 0 1 FHAF CCOC(=O)[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798956 QIEAAMMGRFMQGW-PUTJDCORSA-N 358.251 3.537 0 1 FHAF Cc1ccc(C)c2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc12 587193269 GMOACVDYOMFCPF-UHFFFAOYSA-N 351.450 3.699 0 1 FHAF Fc1cc2c(c(Cc3nc4cc(C(F)(F)F)cnc4[nH]3)c1)OCOC2 587172188 YTDKQQOCKJRUHY-UHFFFAOYSA-N 353.275 3.573 0 1 FHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 586916184 KXNFTVDPUWGNRD-RNODOKPDSA-N 368.364 3.617 0 1 FHAF O=C(O)Cc1c(-c2ccc3c(c2)OCCCO3)nc2cccc3c2c1CC3 587215869 OUPDTJPFXNLTNO-UHFFFAOYSA-N 361.397 3.789 0 1 FHAF CCN1CC[C@]2(C[C@H]1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582911 PEDZVGOCTSNRGI-YMTYPPQLSA-N 353.418 3.597 0 1 FHAF Cc1n[nH]c(C)c1C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587802897 ODXLYCMCEMYHJF-XLFHBGCDSA-N 366.278 3.920 0 1 FHAF N=c1[nH]c(-c2cccc(-c3nc4ccc(Br)nc4[nH]3)c2)cs1 587021960 RNHNGQPVKNDBCR-UHFFFAOYSA-N 372.251 3.923 0 1 FHAF FC(F)(F)c1ncc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc-2[nH]1 587076923 PEMJUNXRVDPKMC-NSHDSACASA-N 367.718 3.594 0 1 FHAF CCCOc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1OC 587652656 XVEUJHMOGRGJOP-UHFFFAOYSA-N 372.808 3.536 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CSCCSC2 587617862 LJRPKBNNQKPJLP-HNNXBMFYSA-N 360.456 3.573 0 1 FHAF COCCCN1CCc2ccc(OC)cc2[C@]1(CCCC(=O)O)C(C)C 961318096 FQEYNSVPHMEJSZ-NRFANRHFSA-N 363.498 3.696 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 962944865 FYDNYIRYIKQXSV-ZSEKCTLFSA-N 365.864 3.966 0 1 FHAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@]2(CCC23CCCC3)N1 962632513 IZIDNJLTYUPUBG-SJKOYZFVSA-N 355.356 3.734 0 1 FHAF O=C(O)CC[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O 212622208 IXKAZSBNONFTIV-OAHLLOKOSA-N 360.772 3.502 0 1 FHAF COC[C@H](OC(C)=O)[C@@H]1OCc2ccccc2[C@@H]1/C=C/c1ccccc1 169354449 SSAJXUFJYJHGDQ-OJGWIDBWSA-N 352.430 3.961 0 1 FHAF CCCCOc1ccc(OCC(=O)COc2ccc(C(=O)O)cc2)cc1 13472820 NPJWNVAXMMFFGE-UHFFFAOYSA-N 358.390 3.591 0 1 FHAF O=C1CCC[C@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@H]12 29239267 KHSVWSHGEADZAR-KCXAZCMYSA-N 364.218 3.537 0 1 FHAF FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ccncc3)CC2)c1 103254392 AZITUYMXYOKNPR-UHFFFAOYSA-N 366.412 3.619 0 1 FHAF COc1ccc(-c2nc(C(=O)O)c(C)o2)c2ccc(C(F)(F)F)nc12 28950177 IPKKNTVCYTZNIH-UHFFFAOYSA-N 352.268 3.924 0 1 FHAF CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 61906691 IDSKXGGFJSLWKR-MRXNPFEDSA-N 361.482 3.555 0 3 FHAF COc1cc(O)c(C=CC(C)(C)O)c2oc(-c3ccccc3)cc(=O)c12 2356636883 YULGQUQZFCSWBA-UHFFFAOYSA-N 352.386 3.958 0 1 FHAF CC[C@@H]1c2cc(OC)c(OC)cc2N2C(=O)C[C@]34C=CCN(C)[C@@]23[C@H]1CC4 2356711843 CEKNPBOCKIXUJV-FVMLFMEYSA-N 368.477 3.542 0 1 FHAF CCCCCN1C(=O)[C@]2(CC(=O)c3cc4c(cc32)OCO4)c2ccccc21 71341204 UGTQLKHEIQMVBY-JOCHJYFZSA-N 363.413 3.825 0 1 FHAF COCCn1c(CC(C)C)nc2c(NCc3ccccc3C)ncnc21 82180340 DURIUJYYUGRPSZ-UHFFFAOYSA-N 353.470 3.592 0 1 FHAF COc1ccc(CNc2cncc(Oc3cccc(NC(C)=O)c3)n2)cc1 82068857 GVOSXIOGDKWKPX-UHFFFAOYSA-N 364.405 3.848 0 1 FHAF CCCc1sc(=N)[nH]c1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587013809 YZNAFBQMMZNBIT-UHFFFAOYSA-N 364.478 3.883 0 1 FHAF Cc1c(Br)cc2nc(CSc3cccc[n+]3[O-])[nH]c2c1C 586969177 HIBAGBPSAYPXHH-UHFFFAOYSA-N 364.268 3.868 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)([C@H]1CCN(Cc4ccccc4)C1)[C@@H](C2)C3=O 587435352 FQCFKNJJXPVWAX-LTMIRXACSA-N 363.457 3.723 0 1 FHAF N[C@@H](Cc1nc2cncc(Br)c2[nH]1)c1ccccc1Cl 587055914 FQWFMSGGKCEXJR-NSHDSACASA-N 351.635 3.616 0 1 FHAF O=C(Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587072255 PSSVFCWSOLWCHR-UHFFFAOYSA-N 350.708 3.963 0 1 FHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(C)(C)C)nn2)N1 587762435 YSTDGNLWPIYCQC-VFZGTOFNSA-N 367.266 3.558 0 1 FHAF Cc1[nH]c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C=O 587593010 ZWNMKDDGMFYXBD-RXVVDRJESA-N 363.369 3.853 0 1 FHAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cnc(Cl)[nH]c-3n2)c1 586916147 VYPBUIKFDJKWII-UHFFFAOYSA-N 366.764 3.726 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(=O)OC)CC2=O 587480486 KLWFRDJRDITXID-IBGZPJMESA-N 370.401 3.603 0 1 FHAF CCO/C=C/[C@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557210 QQHSESMTRWAYSO-QCIHBZPFSA-N 362.328 3.908 0 1 FHAF COc1cc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587524237 KTODUBLIFPJIMI-SFHVURJKSA-N 354.402 3.995 0 1 FHAF CC(C)(SCC(=O)O)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586960015 UVBIGDYGKJJDGY-UHFFFAOYSA-N 354.431 3.847 0 1 FHAF COc1ccc(-c2nc3c(C)c(Br)cnc3[nH]2)c(Cl)n1 587083773 KTCNRUZOKJORBJ-UHFFFAOYSA-N 353.607 3.753 0 1 FHAF CCc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587774640 NEITVFWMMSNDOP-XXFAHNHDSA-N 350.235 3.564 0 1 FHAF Cc1cc(C)c(NCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1 587652150 LZTVPTYPSNIVEZ-UHFFFAOYSA-N 355.825 3.727 0 1 FHAF CC[C@H](C(=O)OC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587811813 XJGJWPZOMNEXFL-RDGWCUKFSA-N 358.251 3.537 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)CN(Cc3ccccc3)C1)O2 587396898 WVIIASLRYOMNHH-AOMKIAJQSA-N 350.462 3.823 0 1 FHAF Cc1c(F)ccc2c1[C@](CCCC(=O)O)(c1ccc(Cl)cn1)NCC2 962144671 LQCREUFGOMGFIR-IBGZPJMESA-N 362.832 3.827 0 1 FHAF Oc1cc(Cl)ncc1[C@H]1NC2(CC2)Cc2ccc(Br)cc21 961318024 FEEFNDJGIWSFBF-HNNXBMFYSA-N 365.658 3.971 0 1 FHAF Cc1ccc2cc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)ccc2n1 963238689 VZBUIAPBBVJYMS-YADHBBJMSA-N 369.424 3.780 0 1 FHAF CN1CCc2cnn(C)c2[C@@]1(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCO1 963955261 OTHSGQHZSMGITK-LADGPHEKSA-N 373.500 3.998 0 1 FHAF CCCS(=O)(=O)c1cccc([C@@H]2N[C@H]3CC[C@H]3c3ccc(OC)cc32)c1 962998992 XJRDMOBLDAQQJF-JBACZVJFSA-N 371.502 3.818 0 1 FHAF CC(C)CN1CCC(=O)N([C@H](COc2ccccc2)c2ccccc2)CC1 12474507 ACQDLKRDWAJZDZ-JOCHJYFZSA-N 366.505 3.997 0 3 FHAF COc1cccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1 169246136 WECKLERIGDQMJL-UHFFFAOYSA-N 374.448 3.901 0 1 FHAF COc1ccc2nc(C(F)(F)F)cc([C@@H](O)C[C@@H]3CCCCN3)c2c1 169334018 JBOMJJNUUWGZGW-ZBEGNZNMSA-N 354.372 3.828 0 1 FHAF COc1ccccc1N1CCN(CCCOc2cccc(C)c2C)CC1 168824005 GTPCCJWBAXFBQG-UHFFFAOYSA-N 354.494 3.903 0 1 FHAF CC[C@@H](NC(=O)CCCN1C(=O)COc2ccc(C)cc21)c1ccccc1 203474481 ONDAXQIGIDHTRO-GOSISDBHSA-N 366.461 3.768 0 3 FHAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCc3c(Cl)cccc3C2)CC1 1857557373 AFAMVWBXPZJINL-JCNLHEQBSA-N 363.933 3.918 0 1 FHAF CCc1ccc(CC)c(S(=O)(=O)Nc2onc(C)c2Br)c1 1540806 OSBWUJAIYSBBKS-UHFFFAOYSA-N 373.272 3.671 0 1 FHAF Nc1nc(Cl)cc(NC[C@]2(CO)CC[C@H](CCc3ccccc3)C2)n1 1658372 GTKRXPJZARRCLS-KXBFYZLASA-N 360.889 3.536 0 1 FHAF Cc1ccc(-n2cnc3cc(C(=O)NC[C@@H]4CCCO4)ccc32)cc1Cl 3025695 UXRSCUXNIGBVAM-INIZCTEOSA-N 369.852 3.896 0 1 FHAF CCCc1cc2c(=O)c(-c3cscn3)c(C(=O)OCC)oc2cc1O 6482142 ALLQXKRRLYMMBN-UHFFFAOYSA-N 359.403 3.751 0 3 FHAF CC(C)CNC(=O)[C@]1(C)CCCN1C(=O)c1c(Cl)cccc1Cl 61904592 VRZODTIDLDZRHP-KRWDZBQOSA-N 357.281 3.760 0 3 FHAF CC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@H]2C(=O)C[C@H]1C3 2356437070 FSXAFKCSUNTGFS-TZHXNMQYSA-N 362.510 3.892 0 1 FHAF CC(=O)OC[C@H](CO)OC(=O)C=C(C)CCC1=C(C)CCCC1(C)C 2356656226 FRCBJSJRQTTWIF-KRWDZBQOSA-N 352.471 3.707 0 1 FHAF C[C@@H]1Oc2c(-c3ccc(O)cc3)cnc(O)c2[C@H]2[C@@H]1C[C@@H](C)[C@@H](O)[C@H]2C 2356723187 AUGZUCOCYQVSPC-JPFBJQPLSA-N 355.434 3.677 0 1 FHAF CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Br)cc1 38841171 HEPMRJAEEJWANC-CQSZACIVSA-N 353.260 3.569 0 1 FHAF COc1cc(Nc2cc3c(cn2)ncn3CC2CC2)cc(OC)c1OC 74388630 QFHUFYNVNACTKT-UHFFFAOYSA-N 354.410 3.611 0 3 FHAF O=S(=O)(c1cc2ccc(O)cc2[nH]1)N1CCC(Cc2ccccc2)CC1 35259630 HUBHJLIWBSUNSW-UHFFFAOYSA-N 370.474 3.517 0 1 FHAF COC1CCC2(CC1)Cc1ccc(OC[C@@H](C)F)cc1[C@]21N=C(C)C(N)=N1 210604578 WEHAHFRWAHYPCU-SAYXHBALSA-N 373.472 3.539 0 1 FHAF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Cc1cc2ccccc2s1 40395599 BCCMTJLKKXQLAQ-QGZVFWFLSA-N 364.488 3.858 0 1 FHAF CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2OC)C1 95594913 KTLVXDVAJZRAME-UHFFFAOYSA-N 365.473 3.960 0 1 FHAF Cc1cccc(-c2noc(C3CN(C(=O)c4ccc(Cl)cc4)C3)n2)c1 95574179 PQYHOGKJFWWOKR-UHFFFAOYSA-N 353.809 3.938 0 1 FHAF Nc1ccccc1C(=O)C[C@]1(O)c2ccccc2-c2nc3ccccc3nc21 473135235 MRSSHFSESDELKI-QHCPKHFHSA-N 367.408 3.701 0 1 FHAF O=S(=O)(c1cccs1)N1CCCc2cc(-c3cccnc3)ccc21 299831108 XWBRGTSOGHFBPD-UHFFFAOYSA-N 356.472 3.952 0 1 FHAF O=C(c1cccc(O)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660239 PLNDGVKMJQLQLY-UHFFFAOYSA-N 360.344 3.597 0 1 FHAF CCn1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587764173 OQRGSYPFUTWTEW-ABKXIKBNSA-N 352.251 3.737 0 1 FHAF COc1ccc2c(c1)C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599901 IRCZYBLGMUCCEH-OFNKIYASSA-N 374.392 3.900 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N(C)C)s2)N1 587852721 HURMPAGSTPXVQH-XLKFXECMSA-N 370.291 3.734 0 1 FHAF C=CN1CC[C@H]([C@@]2(CSC)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587531128 FTSFYSSNPSFVFN-UWJYYQICSA-N 371.502 3.624 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(CC)cccc21 587480774 GNFJTSBGVYLSEU-OAQYLSRUSA-N 351.402 3.720 0 1 FHAF CN1CCN(c2ccc3nc([C@@H]4Cc5cc(Cl)ccc5O4)[nH]c3c2)CC1 587079930 ITEJFBGLFWDWEQ-IBGZPJMESA-N 368.868 3.644 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2[nH]ncc12 587597758 WANBSCDHUXJAFZ-NQIIRXRSSA-N 358.353 3.971 0 1 FHAF COC(=O)C(C)(C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587806474 JILLPALXOFDWFD-ABKXIKBNSA-N 358.251 3.537 0 1 FHAF Cc1nc2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2cc1Br 587156622 OHBRJJNYIYXAQY-QFYYESIMSA-N 361.218 3.509 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)O)cc1)CC2=O 587479365 IDRZAUFPXVTQIX-NRFANRHFSA-N 370.401 3.689 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(C)nc1Cl)[C@@H](C2)C3=O 587422630 RFFGRLGVKLUWRW-LKFCYVNXSA-N 351.189 3.589 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1F 587555187 FULWODBWOVRBIB-PXNSSMCTSA-N 352.317 3.940 0 1 FHAF CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc2nc(C3CC3)oc2c1 12316792 CXCOWZVWUDVIKH-KRWDZBQOSA-N 352.438 3.746 0 3 FHAF CCCCCC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)CCCCC)[C@H](C1)N2C 169351515 AZSYRDPIBWFYBO-XWTMOSNGSA-N 353.503 3.837 0 1 FHAF C=Cc1c([C@@H]2C[C@H]2c2cc(-n3nc(C)nc3C)nc(C)n2)nc2ccccn12 209356237 ZOIBTENGDKOKRD-HZPDHXFCSA-N 371.448 3.544 0 1 FHAF FC(F)(F)Oc1ccc(Nc2nnc(CCN3CCCCC3)o2)cc1 1857767710 WWVFIVRFYGMRBH-UHFFFAOYSA-N 356.348 3.740 0 1 FHAF CS(=O)(=O)c1ccc(-c2cnc(Cl)n2-c2ccc(F)cc2)cc1 588569 ZGZOFFQVDKSXOD-UHFFFAOYSA-N 350.802 3.735 0 1 FHAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@@H](O)[C@H]1CC=CCCCC(=O)O 2356346649 VSRXYLYXIXYEST-OKZBNKHCSA-N 352.471 3.683 0 1 FHAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]([C@@H](O)CCC(C)=O)C2=O 2356427655 IQBWPVDJDAJSKO-KXBFYZLASA-N 362.466 3.825 0 1 FHAF Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)[C@H]3CCCO3)C3CCCC3)cc2c1 8772710 LMXDFNJAMLNIKU-LJQANCHMSA-N 368.477 3.595 0 3 FHAF CCOC1(OCC)[C@@H]2c3c(OC)cccc3[C@H]([n+]3ccccc32)C1(C)C 100714893 VFHUXKMKHQJWCZ-PMACEKPBSA-N 354.470 3.827 0 1 FHAF CCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 28761497 LEQPGRYKFLEBAT-UHFFFAOYSA-N 363.417 3.834 0 1 FHAF CC1(C)CC2=Nc3nc(S)nc(O)c3[C@H](c3cccnc3)C2=C(O)C1 103896641 ALGHATRFKBQRID-GFCCVEGCSA-N 354.435 3.716 0 1 FHAF N=C(NO)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1 73296344 AJXNWYWZYDAFQD-UHFFFAOYSA-N 362.220 3.604 0 1 FHAF O=C(Nc1ccc(Cl)cc1)c1ccc2cc3n(c2c1)CCCNC3=O 73160038 GMVUXANRAYNFHC-UHFFFAOYSA-N 353.809 3.681 0 1 FHAF CN[C@@H](CSC)c1nccc2c1[nH]c1ccc(O)c(Br)c12 15209759 RGJZFVKMTLBCJY-JTQLQIEISA-N 366.284 3.808 0 1 FHAF biogenic O=c1c2ccc(F)cc2nc2sc(Nc3ccc4c(c3)CCC4)nn12 198088353 DGVLIMBJRCYVAT-UHFFFAOYSA-N 352.394 3.676 0 3 FHAF O=C(C[C@@H](C(=O)Nc1ccccc1)n1ccnc1)c1ccc(Cl)cc1 45393087 VFNNIKMZOIWULI-KRWDZBQOSA-N 353.809 3.989 0 1 FHAF CC(C)Cc1nc2c(NCc3ccccc3)ncnc2n1C[C@H]1CCCO1 82178553 PYFNMDASHRSMEK-QGZVFWFLSA-N 365.481 3.816 0 1 FHAF O=C1[C@H]2[C@@H]3[C@@H]4[C@@H]5[C@@H](OCc6ccccc6)[C@H]([C@@H]2[C@H]5[C@H]3OCc2ccccc2)[C@H]14 195411917 QFZSTWQCQZIKSY-VJTFNJCFSA-N 372.464 3.724 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(N(C)C)CC2)N1 587758035 WSVCHVWBXYWXST-FFLHNBHYSA-N 355.295 3.822 0 1 FHAF CNc1ncccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587746170 YOPPMKRBDPJRTR-VFZGTOFNSA-N 350.235 3.649 0 1 FHAF COc1cc2c3c(c1)O[C@](C1CCC1)([C@H](C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587441908 VAJPUFWGZQIURV-KGFDFFDMSA-N 372.461 3.959 0 1 FHAF COC(=O)c1ccc(Oc2ccc3nc(C[C@@H](C)N(C)C)[nH]c3c2)cc1 587191597 MWWXJYAANPGWSF-CYBMUJFWSA-N 353.422 3.634 0 1 FHAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 587769416 GCRBCRZMGRSNJL-JDNHERCYSA-N 351.219 3.615 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3ccccc3n2)N1 587774064 LDULNIFDPSUBEV-BMLIUANNSA-N 360.230 3.860 0 1 FHAF COC(=O)c1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cn1 587068941 GONVCPQZKJNHPK-JTQLQIEISA-N 357.797 3.774 0 1 FHAF Cc1csc([C@](O)(Cc2nc3ccc(F)c(F)c3[nH]2)C(F)(F)F)n1 587094112 KGOAGOAEEDSWBE-CYBMUJFWSA-N 363.311 3.599 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(O)c1)[C@@H](C2)C3=O 587412944 KNAQCPPIHAHMTL-GTNSWQLSSA-N 361.191 3.652 0 1 FHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587164378 UIXLKUSLTWKFTD-GOSISDBHSA-N 353.376 3.678 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1OC)C[C@@H](C)O4)[C@@H](C2)C3=O 587456515 WFIZKUVIXZPNTQ-JHBIKAPFSA-N 352.386 3.516 0 1 FHAF COc1cc(O)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587805475 FTKXCDSKHJXBEX-HUTHGQBESA-N 366.230 3.926 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ncc[nH]1)c1ccco1 587586003 ANVAULZYIWOEGP-UTKZUKDTSA-N 374.352 3.614 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)O)cc1)CC2=O 587480428 JTPCFSMKQARKDL-SFHVURJKSA-N 356.374 3.515 0 1 FHAF Cc1nc2[nH]c([C@H](C)Sc3ncccn3)nc2cc1Br 586961609 KJVJHKNVRCSVQS-QMMMGPOBSA-N 350.245 3.672 0 1 FHAF COc1cc(O)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598972 CPFAOHLQBNDJEW-WIYYLYMNSA-N 364.353 3.809 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(O[C@H](C)C(=O)O)c1)CC2=O 587479641 CNPOECQCYWFMMV-BLVKFPJESA-N 370.401 3.903 0 1 FHAF O=C(O)c1cc(Br)cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 586902917 NBUHIDHRPGIAOL-FZMZJTMJSA-N 373.206 3.593 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(CC(F)F)n1 587558872 XUHKPEUXTJYVDG-VQIMIIECSA-N 372.327 3.557 0 1 FHAF O=C(O)c1cccc2c1CCN[C@H]2c1cnn(Cc2ccccc2Cl)c1 963126718 XFROXNOFOQBBJT-IBGZPJMESA-N 367.836 3.518 0 1 FHAF Cc1ccc2c3c1N(CC31CC1)[C@]2(CSc1nnc(N)s1)C1CC1 963731798 PJJKHPKGSXECRL-GOSISDBHSA-N 356.520 3.692 0 1 FHAF Cc1nc(-c2cccnc2)sc1[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962917281 MAFHXZFWGVICKI-FQEVSTJZSA-N 367.522 3.780 0 1 FHAF COc1ccc2c(c1)C1(CCN(c3nccs3)CC1)N(C(C)C)CC2 962093011 RXYTYLMVSZYCFC-UHFFFAOYSA-N 357.523 3.914 0 1 FHAF COc1cc2c(cc1OC)[C@H](C)[C@H]1c3cc4c(cc3CCN1C2)OCO4 5372965 WBOKFUREGOQWPZ-QKVFXAPYSA-N 353.418 3.649 0 1 FHAF CO[C@@]1(C(C)(C)O)/C=C/[C@](C)(O)CC/C=C(/C)CC(=O)C[C@@H](C)CC1 169290345 PUAPJGQBSUWLAY-FSFXOXRESA-N 352.515 3.955 0 1 FHAF Cc1c([C@H](C)n2cnc3ncc(-c4cnn(C)c4)nc32)ccc2ncccc12 1857586740 XEVUGCYBUXIWNB-AWEZNQCLSA-N 369.432 3.693 0 1 FHAF CCOc1ccc(-c2ccc(N[C@H]3CC[C@H](O)CC3)c(C(N)=O)c2)cc1 1857629002 HTAUVTISJFMXKD-QAQDUYKDSA-N 354.450 3.567 0 1 FHAF Cc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 590050 IAWYFEQXEXTERD-UHFFFAOYSA-N 358.393 3.894 0 1 FHAF CCCCOc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2n1 13731444 PXSRGUBKHGVLLK-ALOPSCKCSA-N 367.493 3.769 0 1 FHAF Cc1ccccc1CSCc1nc(-c2c(C)ncc3c2CCNC3)no1 20600809 CUVKFXXIRAWXAU-UHFFFAOYSA-N 366.490 3.828 0 1 FHAF CCN(CC)C(=O)c1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1 22939824 GNWZLSOWHKZQEB-NRFANRHFSA-N 357.542 3.695 0 1 FHAF C/C(=C\[C@](C)(O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(C)C 27893357 AMBDIWVYPNQJPH-FXWOBULMSA-N 368.558 3.995 0 1 FHAF C[C@@H]1CN(c2ncccc2Cl)CCN1c1nc2cc(Cl)ccc2[nH]1 28355052 KLTZKVLSOVMIBP-LLVKDONJSA-N 362.264 3.980 0 1 FHAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@H]2CCCC[C@H]12 28524106 TYJSHDWVKFXKBY-PMACEKPBSA-N 351.494 3.643 0 1 FHAF O=S(=O)(c1ccc(Cl)cc1)n1cc(C2=CCCNC2)c2ccccc21 28524813 PVJJLDYKHCTIOX-UHFFFAOYSA-N 372.877 3.908 0 1 FHAF O=C(c1ccc2ccoc2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 28955408 GJLYPCJZGHYHKC-UHFFFAOYSA-N 361.401 3.553 0 1 FHAF O=C1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2c(Cl)cccc21 40429175 LOOIGVILJVTICW-UHFFFAOYSA-N 355.699 3.968 0 1 FHAF COc1cc(/C=C/c2cc(=O)c3c(OC)cc(OC)cc3o2)cc(OC)c1 43065725 IZEQNSBRDWQWSU-AATRIKPKSA-N 368.385 3.998 0 1 FHAF CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CCN(C)C)c(C)c1 43071599 SRXBBERHRSYYGM-UHFFFAOYSA-N 353.528 3.792 0 1 FHAF Cc1nc(C)n(-c2ccc(Nc3cc(-c4ccn(C)n4)c(F)cn3)cc2)n1 71335303 LGVWSMJDTZVKAT-UHFFFAOYSA-N 363.400 3.562 0 1 FHAF O=C(C1CC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95878286 CFOGSURRWQCXSO-JRGCBEDISA-N 366.436 3.579 0 1 FHAF C[C@]1(c2cccc(CC(=O)c3ccc(Cl)cn3)c2)CCSC(N)=N1 96174337 JHFFXOSBRSNCEL-GOSISDBHSA-N 359.882 3.827 0 1 FHAF COc1cc(OC(=O)NC2CCCCC2)cc(-c2cccc(C(N)=O)c2)c1 96273124 MXWAKUJUMXYDLN-UHFFFAOYSA-N 368.433 3.882 0 1 FHAF O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)C[C@H]1CC[C@H]3N1 143549873 UVEOORPSCDMKQU-MLGOLLRUSA-N 357.406 3.754 0 1 FHAF CN1CCC(c2ccc(-c3nc(=O)c4cc(F)cc(F)c4[nH]3)cc2)CC1 210681900 GPNUQNSOOWDVCV-UHFFFAOYSA-N 355.388 3.678 0 1 FHAF Cc1cnc(Cl)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 586966412 DBJZFNPNSKZDNE-UHFFFAOYSA-N 358.814 3.657 0 1 FHAF OCCc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587085398 QMJJDSSVIDCIFV-UHFFFAOYSA-N 350.809 3.875 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccc(F)cc3)c1)O2 587384361 KUYIHWBKDLDSCA-HXUWFJFHSA-N 351.381 3.783 0 1 FHAF COc1cc2c3c(c1)O[C@H](c1cccc(Oc4cnccn4)c1)[C@@H](C2)C3=O 587436696 UMBUGFALDKXDFW-HRAATJIYSA-N 360.369 3.766 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(CCCOc4cc5c(cc41)CCC5)[C@@H](C2)C3=O 587454406 UARDJAYDCYHAML-FDDCHVKYSA-N 362.425 3.999 0 1 FHAF O=C1C[C@@]2(CCN3Cc4ccccc4N[C@@H]32)Oc2c1ccc1c2CCCC1 587521096 AEYHXQXEGLULEI-XZOQPEGZSA-N 360.457 3.927 0 1 FHAF CCO/C=C(\C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523638 LNMGQFCXCYEQFN-ZDJZVTAXSA-N 358.434 3.773 0 1 FHAF Cc1nn(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587546051 HWAGOPJNYFHXSW-KUHUBIRLSA-N 370.792 3.790 0 1 FHAF Cn1ncc(Cl)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549665 SLJLNAAVYVXWHP-DNVCBOLYSA-N 370.792 3.656 0 1 FHAF Cn1ncc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c21 587584227 ZACKCWHTBDTBQF-GCJKJVERSA-N 372.380 3.982 0 1 FHAF COc1ncc(F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587732598 NEOGSSQORAXDAY-VXJOIVPMSA-N 369.209 3.755 0 1 FHAF CC(C)n1ccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587758424 XNLFUQQVMNZOHC-BONVTDFDSA-N 352.251 3.989 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCC[C@H](C2)N3C)N1 587773139 JIKASWSDNCOYFE-IUWMUCMRSA-N 367.306 3.964 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ncccc3C2)N1 587779376 RICMUVYNVWKXBN-ADLMAVQZSA-N 361.258 3.902 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C)cc1 587867696 MWMHLNPQHBCDEX-UHFFFAOYSA-N 361.323 3.969 0 1 FHAF COc1ccc(C[C@@H](C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1OC 587925233 DCBVNSRXPZHHSS-GFCCVEGCSA-N 354.406 3.698 0 1 FHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587928085 WBYRFRYRBZTTCD-NSHDSACASA-N 352.394 3.704 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)[C@@H](O)c3ccc(OC)cc3)nc2c1 587935842 JNUWQRZJMYFIHI-BMLIUANNSA-N 374.824 3.849 0 1 FHAF COc1ccc(N)c([C@@]2(C(F)(F)F)NCCc3ccc(F)c(C)c32)c1 962091469 KSDBKUASJUIYKI-QGZVFWFLSA-N 354.347 3.677 0 1 FHAF CC(C)c1nn(C)c2c1[C@H](c1ccc(-c3ccccc3C(=O)O)o1)NCC2 962922956 XJJGVZUIUWSDIE-FQEVSTJZSA-N 365.433 3.737 0 1 FHAF COC(=O)N1N=C(c2ccccc2)C[C@@H]1c1c(OC)cc(OC)cc1OC 1857535688 QOANSUSHQIYQAD-MRXNPFEDSA-N 370.405 3.630 0 1 FHAF Cc1cc2nc(N3CCNCC3)n(Cc3ccc(F)c(Cl)c3)c2cc1C 1857754137 BQDQIRCHYJZDPW-UHFFFAOYSA-N 372.875 3.904 0 1 FHAF CC=C(CN(C)C)[C@H]1CC(=O)c2[nH]c3ccccc3c2C=C[C@@H]1C(=O)OC 2356736971 GAEVJZYUDKVBCT-ZWKOTPCHSA-N 366.461 3.681 0 1 FHAF COc1cccc(C[C@]2(CO)CCCN(Cc3cc4ccccc4[nH]3)C2)c1 13593995 HBDRUYIKYFKALI-HSZRJFAPSA-N 364.489 3.994 0 3 FHAF Cc1ccc(C(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)cc1 74379133 WGBCYPUACBDYMZ-CJNGLKHVSA-N 358.800 3.663 0 3 FHAF O=C(Nc1nc2ncccn2c1-c1ccc(F)cc1)c1ccc(F)cc1 201479213 CRBWWFPXUZKDMY-UHFFFAOYSA-N 350.328 3.927 0 3 FHAF O=C1[C@H]2C[C@@H](CN2Cc2ccc(F)cc2)Oc2ccccc2N1CC1CC1 2356318778 YAVWNFORHYEVRC-AZUAARDMSA-N 366.436 3.604 0 1 FHAF CC(C)NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26393039 VOEVWWDYQIDNFO-FFQHCWNBSA-N 374.569 3.991 0 1 FHAF CC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2ccccc2C)c1 61943079 BZOMKFSJCJFUSH-BVSLBCMMSA-N 350.462 3.817 0 3 FHAF O=C(Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1)C1CC1 29061601 JBNQXRACQBYPQU-UHFFFAOYSA-N 359.385 3.888 0 1 FHAF Brc1ccc2c(ccn2CCN2CCN3CCCC[C@@H]3C2)c1 22939895 KHCPBCHTUYSMTM-QGZVFWFLSA-N 362.315 3.574 0 1 FHAF O=C(COc1ccc(F)c(Cl)c1)Nc1nnc(-c2ccc(F)cc2)o1 66166003 UXQBHSWCGSOKGY-UHFFFAOYSA-N 365.723 3.686 0 1 FHAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 2356648425 ZSBJUJRRNBAXIC-KSZLIROESA-N 366.509 3.881 0 1 FHAF O=C(NCc1cccc(Cl)c1)c1ccc(-n2cncn2)c2ccoc12 61926912 FUADXOGPGJQHTJ-UHFFFAOYSA-N 352.781 3.597 0 3 FHAF O=S(=O)(c1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1 32553789 RYHOKXMYNDUZNR-UHFFFAOYSA-N 360.410 3.535 0 3 FHAF CCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-c3ccccn3)cc2)C1 61898516 OBMIGJGMENFUSG-QFIPXVFZSA-N 351.494 3.877 0 3 FHAF COc1ccccc1C(=O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1 36408230 ZBUMLDQZZXXCHL-UHFFFAOYSA-N 371.396 3.568 0 1 FHAF C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2nc[nH]c2c1 215844915 DXUVJKCCXSAUKZ-NSHDSACASA-N 360.425 3.870 0 1 FHAF COc1cccc(/C=C/Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)c1 71418527 UJWAGMVNLQCCIG-GQCTYLIASA-N 353.349 3.561 0 1 FHAF CCc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccccc2C)s1 82177417 QSSPOJOTVBTAAT-UHFFFAOYSA-N 366.490 3.975 0 1 FHAF O=C(NCCCc1ccc(Cl)cc1Cl)[C@H]1COc2ncsc21 220870913 QZEQUTAEBXUCAR-NSHDSACASA-N 357.262 3.675 0 1 FHAF CN(C(=O)Cn1c(=O)oc2cc(-c3ccccc3)ccc21)c1ccccc1 84742041 SKOGZBIJAIYKPT-UHFFFAOYSA-N 358.397 3.925 0 1 FHAF CCCCCC(=O)CC/C=C\C=C\C=C\[C@@H](O)[C@H](O)CCCC(=O)O 85588915 FPRPRBFSKMFXRV-HJGGDGFVSA-N 352.471 3.561 0 1 FHAF endogenous,in-man COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2OC(C)C)c1 84689970 VMMDTLVVOZROTO-UHFFFAOYSA-N 361.413 3.994 0 1 FHAF Cc1onc(-c2ccccc2F)c1COc1ccc(C(=O)NC(C)C)cn1 141269632 SYQYWNICFHQASD-UHFFFAOYSA-N 369.396 3.901 0 1 FHAF COc1ccccc1-c1ccc2c(c1)[C@@H]1C[C@H]3[C@@H](CN1CC2)[C@H](C)ON3C 199739946 BJVMTBQZAGWBAW-JNHSIYEJSA-N 364.489 3.915 0 3 FHAF O=C(CNc1ccc(Cl)cc1)Nc1nc2ccc3[nH]ncc3c2s1 142271227 YJJUWEQVCJXIPR-UHFFFAOYSA-N 357.826 3.877 0 1 FHAF O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 299838409 QKTOQRPNKITPLN-UHFFFAOYSA-N 358.526 3.621 0 1 FHAF COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(C)cc1)[C@@H](C2)C3=O 587446631 COXLCCXFXKGAHR-HTAPYJJXSA-N 366.413 3.901 0 1 FHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3c(Br)ccnc3[nH]2)cn1 587247081 GLAZSZMNIFIQIW-UHFFFAOYSA-N 374.242 3.767 0 1 FHAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587028539 RBSUXMKRLFGGQY-UHFFFAOYSA-N 351.435 3.692 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)NCC(F)(F)F 587861680 WXHVAEOTFGKKHA-UHFFFAOYSA-N 367.249 3.698 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cccc(C)c1C)[C@@H](C2)C3=O 587434001 ZDOVFTVWQOXOAQ-AOMKIAJQSA-N 365.429 3.847 0 1 FHAF COC(=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2n1 587112037 JOOACXZQYJVZPH-UHFFFAOYSA-N 372.306 3.979 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ncccc3C2)N1 587779559 UAEWKGHZPHYBMD-VOJFVSQTSA-N 361.258 3.902 0 1 FHAF COc1cc(/C=C\c2nc3cccc(C(N)=O)c3[nH]2)ccc1Br 586975752 FQOKWSSRPLVBJM-VURMDHGXSA-N 372.222 3.603 0 1 FHAF Cc1noc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587343392 BVEWNMFWLAUCJT-QUCCMNQESA-N 368.364 3.583 0 1 FHAF O=C(O)/C=C/C=C/c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 587968655 NAEPSFAUAXBMNV-ZPUQHVIOSA-N 361.117 3.998 0 1 FHAF COC(=O)Nc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cn1 587245131 OLSZHMDBIOTQAG-UHFFFAOYSA-N 352.272 3.702 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CCCC[C@@H]32)N1 587789493 DNFCCMFDNWSIDY-JDSLSITLSA-N 353.279 3.576 0 1 FHAF CCS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587018322 ZBIXSCKPIRKVGU-UHFFFAOYSA-N 373.459 3.664 0 1 FHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(O)c2c1 587650352 SRPUHGFYPWKVGW-UHFFFAOYSA-N 355.337 3.963 0 1 FHAF COc1ncccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587766303 GALMQRSCRMQMQN-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF COCCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444510 ZTNMVTCKDBFMDN-DYESRHJHSA-N 354.402 3.599 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(Br)cc1F)O2 587384138 AZGLQCZZBZUWON-MRXNPFEDSA-N 365.202 3.754 0 1 FHAF COc1cc(OC)c2[nH]c(-c3cccc(-c4csc(=N)[nH]4)c3)nc2c1 587021657 OTRHHCWZNGFVSJ-UHFFFAOYSA-N 352.419 3.783 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CC3(CC3)C2)N1 587819263 UUYRBYORPVAWBG-QGHHPUGFSA-N 352.247 3.851 0 1 FHAF C[C@@H]1COc2ccccc2[C@]12c1c(Cl)ccc3c1CCN2[C@H]3C(=O)O 962570931 HZRRKNPUWMTMOO-RTXGADQUSA-N 355.821 3.610 0 1 FHAF COc1cc2c(cc1OC)[C@@]1(CCc3cc4c(cc31)OCC4)N(C)[C@@H](C)C2 962572706 QEVQFOXBFDEADI-PSLXWICFSA-N 365.473 3.705 0 1 FHAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CCC[C@@H](O)C2 961746373 DBQIWBRASDVLIW-ZHRRBRCNSA-N 372.509 3.968 0 1 FHAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)c2c(F)cccc2C[C@H]2CCCN21 963094283 LSOKVKBZMPSEFF-VGSWGCGISA-N 366.436 3.831 0 1 FHAF CCOC(=O)/C=C/c1cc2c(cc1/C=C/c1cccc(OC)c1O)OCO2 1772606766 IYHHCHZHRWVAEY-XBLVEGMJSA-N 368.385 3.876 0 1 FHAF C/C=C(\C)C(=O)OC[C@@]1(c2cc(OC)c(C)cc2OC(=O)/C(C)=C/C)CO1 15169466 IVFOHELPDWAVAV-VGVDAKBTSA-N 374.433 3.610 0 1 FHAF O=C(Oc1cccc(/C=C2\N=C3SCCCN3C2=O)c1)c1ccccc1 169329801 QFKUTMZIJHAEGY-LGMDPLHJSA-N 364.426 3.582 0 1 FHAF O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1)[C@@H]23 169333605 FXQCBKMSWKCUDG-VMBXEPDQSA-N 356.510 3.616 0 1 FHAF COc1ccc(NC(=O)[C@H]2C(C)=Nc3[nH]ncc3[C@H]2c2ccccc2)cc1 169724307 LNEHQIIXFLTJKG-RBUKOAKNSA-N 360.417 3.911 0 1 FHAF COc1ccc(CCO[C@@H]2CCCC[C@@H]2N2CC[C@H](F)C2)cc1OC 209037919 ZXYWYJJXNBKBPI-OKZBNKHCSA-N 351.462 3.618 0 1 FHAF CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@H](C)O 1491372 CVIBDXQYFNZNMA-GOEBONIOSA-N 368.485 3.591 0 1 FHAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCCOC 2483289 HOMXGLDLRAMOQD-UHFFFAOYSA-N 360.454 3.804 0 1 FHAF CC(=O)Nc1ccc(-c2cc(C(=O)O)c3c(-c4ccccc4)[nH]nc3n2)cc1 6733075 KYCGNJYJTNXBIB-UHFFFAOYSA-N 372.384 3.949 0 1 FHAF COc1ccc(C2=Nn3c(nnc3-c3ccccc3C)SC2)c(OC)c1 9290543 HODPLQALFYDYPO-UHFFFAOYSA-N 366.446 3.629 0 1 FHAF CCN(C[C@H]1CCCO1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 11661803 SLBRYAYKBOUJOD-OAHLLOKOSA-N 373.453 3.843 0 1 FHAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccncc2)C2=C(O)CCCC2=N1 19761224 WBAMGZSSYGJFAC-KXBFYZLASA-N 368.433 3.612 0 1 FHAF Cc1ccc([C@](O)(Cn2ccnc2)c2ccc(Br)cc2)cc1 26849240 HUCVBLUQXJFCQE-GOSISDBHSA-N 357.251 3.890 0 1 FHAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OC[C@H](CO)O3)cc1 28863841 FYWBHFHEHBEKRF-QKIXSCASSA-N 367.445 3.768 0 1 FHAF CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2)NC(=N)N1C#N 45285464 GHUFIBNLECYUCJ-QGZVFWFLSA-N 365.824 3.615 0 1 FHAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C)cc1 58582019 PBCCBOZBVOJOIO-GOSISDBHSA-N 357.450 3.745 0 1 FHAF COc1ccc(OC)c([C@@H](CC(=O)c2cc(Cl)cs2)NC(C)=O)c1 72113688 PZIYZEHQZMJKIS-CQSZACIVSA-N 367.854 3.869 0 1 FHAF OCCN(Cc1ccccc1)c1cc(Oc2cccc3cccnc23)ncn1 82067377 XDXSMPDEPUVREN-UHFFFAOYSA-N 372.428 3.816 0 1 FHAF Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC2CC2)cn1 141293146 XVRJCLURPRHMAW-UHFFFAOYSA-N 366.396 3.688 0 1 FHAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc([C@H](O)C(=O)O)ccc12 205661652 COMMJBCZODQDSY-INIZCTEOSA-N 365.216 3.818 0 1 FHAF COC1CCC2(CC1)Cc1ccc(OC[C@@H](C)F)cc1[C@@]21N=C(C)C(N)=N1 210604549 WEHAHFRWAHYPCU-KFBNFGQPSA-N 373.472 3.539 0 1 FHAF COc1ccc(-c2ccnc(NCCc3ccc(OC)c(OC)c3)n2)cc1 299838417 QMHLIKGCSYMBMS-UHFFFAOYSA-N 365.433 3.824 0 1 FHAF Brc1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2n1 587036882 OZLRMIZCVHZRGF-JTQLQIEISA-N 350.241 3.638 0 1 FHAF COc1cccc(-c2cc(F)cc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)c1 587160246 NWOUZAJMSSKCHU-UHFFFAOYSA-N 369.787 3.852 0 1 FHAF COC(=O)c1ccc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2c1OC 587196876 ZYHVQOPYLXBDKX-GFCCVEGCSA-N 353.422 3.576 0 1 FHAF O=C(N[C@@H](c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1)c1ccccc1 587225950 ZLMMRMDPVYMWBX-FQEVSTJZSA-N 367.412 3.959 0 1 FHAF COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccc4)C[C@H]1C)[C@@H](C2)C3=O 587439609 VJYSLEUGPZWTKE-VVWXKSFDSA-N 363.457 3.723 0 1 FHAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1N1C(=O)c2ccccc2C1=O 587631913 LZKOUKNZQLFGMP-UHFFFAOYSA-N 372.739 3.548 0 1 FHAF Cc1nccn1CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587753858 KAWABWSUZOJCFH-DIFFPNOSSA-N 366.278 3.933 0 1 FHAF CC(C)n1cncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587756600 SIOMNJDEEJVUDN-QLJPJBMISA-N 352.251 3.989 0 1 FHAF COc1cccnc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587774208 UAGUHGRGOZYQCY-BMLIUANNSA-N 365.246 3.790 0 1 FHAF COc1ncccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587775386 ZRVISNNMAQSHGB-PSLIRLAXSA-N 351.219 3.615 0 1 FHAF C[C@H]1[C@H](CC(=O)O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587825394 CWCWBQOUTBICIO-IBXUITPSSA-N 370.262 3.839 0 1 FHAF COc1cc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)ccn1 962714415 ONVRKOTYILDNBE-YWZLYKJASA-N 358.482 3.856 0 1 FHAF Clc1ccc(-c2ccc([C@@H]3NCCc4nc5ccccn5c43)cc2)nn1 962980186 BYNCLMJIBWLWRA-IBGZPJMESA-N 361.836 3.680 0 1 FHAF Brc1ccc2c(c1)C[C@@]1(CC2)NCCc2nc3ccccn3c21 962989438 PXGJQVTUELDQBJ-LJQANCHMSA-N 368.278 3.627 0 1 FHAF COc1cccc2cc3c(nc12)[C@H](c1ccc(-c2cccnc2)nc1)NCC3 963055606 JTJHILOHGAMIIZ-QFIPXVFZSA-N 368.440 3.936 0 1 FHAF O=C(O)c1cccc(Cc2c(-c3ccco3)nn3cc(Cl)ccc23)n1 1772611977 GRQHEQPBLXRNAO-UHFFFAOYSA-N 353.765 3.932 0 1 FHAF CCOC(=O)c1csc(-c2csc(-c3csc([C@@H](C)N)n3)n2)n1 1772651292 XMBFYBGBSZAUOP-SSDOTTSWSA-N 366.493 3.587 0 1 FHAF C[C@@H]1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)C1 3910052 KGDVXSMYYHIJBO-NPFVIJTESA-N 374.484 3.782 0 3 FHAF C[C@H]1CCCC[C@H]1NC(=O)CCC(=O)N1CCOc2ccc(Cl)cc21 6797543 SITVVPGXJIDFFO-DZGCQCFKSA-N 364.873 3.541 0 3 FHAF COc1ccc(OC)c2c(N3C[C@H](C)O[C@H](C)C3)cc(C(F)(F)F)nc12 13147455 IQAONXATWUITBO-PHIMTYICSA-N 370.371 3.884 0 3 FHAF CCN1C=C(C(=O)O)[C@@H](c2ccccc2Cl)C(C(=O)OC(C)C)=C1C 13553479 BWWRVVQUGBYQAL-QGZVFWFLSA-N 363.841 3.953 0 1 FHAF CC(C)N(CC[C@@](CCn1cccc1)(C(N)=O)c1ccccc1F)C(C)C 40465003 KRSMJLSGOWXLML-JOCHJYFZSA-N 373.516 3.950 0 1 FHAF Cc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)cc1 100632184 ACTCFROLKGYJMD-KSSFIOAISA-N 366.486 3.669 0 1 FHAF Cc1c[nH]c2ncc(-c3cc([C@@H]4CCN(C5COC5)C4)n(C(C)C)n3)cc12 148085666 BXVSJWLYBXAHOZ-OAHLLOKOSA-N 365.481 3.504 0 1 FHAF CN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F 299851237 BXHMIQIIMINKET-UHFFFAOYSA-N 354.425 3.724 0 1 FHAF CCS(=O)(=O)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586893015 YVCNOLPDVYAACR-OXQOHEQNSA-N 352.459 3.728 0 1 FHAF Cc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1Cl 586952581 IQGZUEMYGPEYHQ-UHFFFAOYSA-N 355.891 3.523 0 1 FHAF CC(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587006437 JTZMAZNTMNWHSK-UHFFFAOYSA-N 355.195 3.843 0 1 FHAF Cc1nc(COc2cccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)cs1 587020055 FBCIMRXAMPANKJ-UHFFFAOYSA-N 363.446 3.858 0 1 FHAF Brc1c[nH]c2nc(-c3cnc(Cc4ccccc4)s3)nc-2n1 587022418 QOHKAWRKLVVBSN-UHFFFAOYSA-N 372.251 3.781 0 1 FHAF N=C(N)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587077414 XDGFZIXXLDHQSJ-UHFFFAOYSA-N 363.808 3.935 0 1 FHAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587114888 YOJIYXJJGDNDGP-SSDOTTSWSA-N 355.751 3.735 0 1 FHAF Fc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1-n1cccn1 587126314 WSKHXFNORKPIFV-UHFFFAOYSA-N 359.311 3.594 0 1 FHAF C[C@H](c1nc2ccnc(O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130587 WEQSOCGCDYPWOB-SCSAIBSYSA-N 363.702 3.998 0 1 FHAF N[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(F)cc1F 587150076 JLFUMLBGWKOFRK-LBPRGKRZSA-N 374.135 3.930 0 1 FHAF Fc1ccc(-c2nc3ncc(Br)cc3[nH]2)nc1Br 587156167 XMOITDJIBMTZEU-UHFFFAOYSA-N 371.995 3.684 0 1 FHAF C[C@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174320 OENZUVILGZFLTI-MRXNPFEDSA-N 365.286 3.744 0 1 FHAF COc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)CC(=O)c2cc(C)cc(N)c2O1 587396056 JELHXXRHWGUYRK-QFIPXVFZSA-N 362.429 3.960 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCSCC3)s1)O2 587413457 OHZBOQGIUZZPSL-HNNXBMFYSA-N 360.504 3.898 0 1 FHAF CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587590130 XZDBFYWYBNNANT-RXVVDRJESA-N 363.369 3.889 0 1 FHAF COc1cc(O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598970 CPFAOHLQBNDJEW-RXVVDRJESA-N 364.353 3.809 0 1 FHAF COc1ccncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587773431 ILINELFUGRILJO-JDNHERCYSA-N 351.219 3.615 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)o2)N1 587826971 HORPGVOAKOVVPN-NXSYQRQQSA-N 354.175 3.503 0 1 FHAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587934680 DSYXRXTWBANRHS-VFZGTOFNSA-N 351.328 3.822 0 1 FHAF CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1OC 653822854 WHNSPBKCWAIAAI-IKGGRYGDSA-N 360.431 3.541 0 1 FHAF CN1C(=O)C[C@H]2CN[C@H](c3cccc(-c4ccsc4)n3)c3cccc1c32 963025742 MQAUQWNCMCVFGD-QKKBWIMNSA-N 361.470 3.953 0 1 FHAF COc1ccc2c(c1OC)[C@@H](C(C)C)N(C(=O)c1ccccc1N)CC2 963147548 QWTCUCFHNSARAB-LJQANCHMSA-N 354.450 3.682 0 1 FHAF Cc1ccc(CN=c2ccnc(NC3CC(C)(C)NC(C)(C)C3)[nH]2)cc1 1857587808 FCMJPKPANLWONJ-UHFFFAOYSA-N 353.514 3.540 0 1 FHAF Cc1ccc(Nc2ncc3c(n2)N(C2CCCC2)Cc2nnc(C)n2-3)cc1 1857615712 HFCDDZZPCZAPEF-UHFFFAOYSA-N 361.453 3.680 0 1 FHAF C/C=C(/C)C(=O)O[C@@H]1C[C@@](C)(C(C)C)[C@@H]2C[C@@H](O)C(C)=C[C@@H](O)[C@]21C 1857636796 ZDDHZKDTIUMYSY-FDTLQCRBSA-N 350.499 3.625 0 1 FHAF COC(=O)c1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CN)C=C3C)[nH]c2c1 2356286673 LFELCBRJUYDDOA-GVDBMIGSSA-N 355.482 3.705 0 1 FHAF C[C@]1(C(=O)Nc2ccc3[nH]ncc3c2)CCN1C(=O)C/C=C/c1ccccc1 61904739 AHZWJXXUHTUDAZ-QNBZTBGESA-N 374.444 3.596 0 3 FHAF O=C(Nc1ccccn1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 806147 QWDWLKADPUINMI-UHFFFAOYSA-N 372.833 3.820 0 3 FHAF CCCCCC(=O)CC[C@@H]1[C@@H](O)CC(=O)[C@H]1CC=CCCCC(=O)O 2356318278 CUJMXIQZWPZMNQ-LNLFQRSKSA-N 352.471 3.683 0 1 FHAF CS(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2Cc1ccccc1 1495739 RWERGVFMCDHOAG-UHFFFAOYSA-N 354.353 3.507 0 1 FHAF Cc1ccc2cc(CCNC(=O)c3ccc4ccccc4c3)c(=O)[nH]c2c1 3911735 RUHSFXNVIDHANR-UHFFFAOYSA-N 356.425 3.962 0 1 FHAF Cc1ncc(C(=O)O)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 103070017 VRNUGKOLVIVNBO-OKILXGFUSA-N 354.406 3.899 0 1 FHAF CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2ccc(C(C)=O)cc2)c1C 8599930 DBANNOKCXCUHOR-UHFFFAOYSA-N 356.422 3.582 0 1 FHAF O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 100099758 GEQNQLZVCTYDIJ-KOUNCHBCSA-N 364.464 3.949 0 1 FHAF N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3ccccc3)cc2)c1 26294552 GBACMSZQIAIZHL-UHFFFAOYSA-N 373.456 3.706 0 1 FHAF CC(C)N(CC[C@@]1(c2ccccc2)C(=O)N=CN2CCCC[C@@H]21)C(C)C 28265070 CMEFGOJSFPCTKK-IRLDBZIGSA-N 355.526 3.856 0 1 FHAF COc1cc2c(c(OC)c1OC)-c1ncc3cc4c(cc3c1C2)OCO4 28463303 QTURDJRTPJYCDW-UHFFFAOYSA-N 351.358 3.561 0 1 FHAF CCOC(=O)c1[nH]nc2c1C[C@H]1[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C 28528206 WMQJMIBEOIXGLX-UTAOTPEMSA-N 366.461 3.862 0 1 FHAF O=C([C@@H](Cc1ccccc1)n1cccc1)N1CCN(C2CCCCC2)CC1 20377235 GJYUFBGCMJUKFF-JOCHJYFZSA-N 365.521 3.749 0 3 FHAF CC(C)Oc1ccc(CN2CCN(C(=O)Nc3ccccc3)CC2)cc1 20541625 IIFWSYNWPNMNAL-UHFFFAOYSA-N 353.466 3.824 0 1 FHAF CO[C@H]1c2ccc3occc3c2O[C@@]1(Cc1ccc2c(c1)OCO2)OC 13384135 UJWUVLDBYXPHQN-VQTJNVASSA-N 354.358 3.827 0 1 FHAF biogenic COc1cc(OCC=C(C)C)c2ccc(=O)oc2c1OCC[C@@H](C)CO 14776234 AMNCEBXQVYORQI-CQSZACIVSA-N 362.422 3.544 0 1 FHAF biogenic O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1cnc(OCC2CC2)nc1 72102764 VYIFSNYJXUNPHG-HXUWFJFHSA-N 367.836 3.598 0 1 FHAF c1cc(-c2ccc(-c3ccc(C4=NCCN4)cc3)s2)ccc1C1=NCCN1 196190924 SGFPTZSWUFXFDV-UHFFFAOYSA-N 372.497 3.782 0 1 FHAF CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCc2ccccc21 84669449 WJPODXNCZRPNIO-NHCUHLMSSA-N 363.457 3.623 0 1 FHAF CCCCOc1ccc(NC(=O)Oc2cccc(N3CCNCC3)c2)cc1 95581145 SFZOMIUWFZEMNS-UHFFFAOYSA-N 369.465 3.886 0 1 FHAF Cc1c(C(=O)NC2CCCCC2)oc2cccc(OC3CCNCC3)c12 95556883 ABUCITPLAULJSB-UHFFFAOYSA-N 356.466 3.935 0 1 FHAF COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)N(C)C1CCCC1 95574057 ONUKWYBZXUKVSG-UHFFFAOYSA-N 364.467 3.530 0 1 FHAF CSc1nccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587843208 HNVHVPBOVAYGBW-XLKFXECMSA-N 368.275 3.724 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@H]2CC3=O)N1 587825763 FEPZQICTRZUQLB-YBXNYSAGSA-N 352.247 3.707 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1COc1ccc(F)cc1 587570805 LXSLCCFGJQQRBV-RBUKOAKNSA-N 366.344 3.941 0 1 FHAF OC1(c2nc3cc(Br)cnc3[nH]2)CCC(C(F)(F)F)CC1 587126932 OXFRXJQTQBHLTH-UHFFFAOYSA-N 364.165 3.661 0 1 FHAF O=c1c(-c2nc3nc(Cl)c[nH]c-3n2)cn(C2CC2)c2cc(F)c(F)cc12 587171625 QNPITFVALMPDAC-UHFFFAOYSA-N 373.750 3.553 0 1 FHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)N1CCOCC1 587860225 RONJKQCNUCEMEI-UHFFFAOYSA-N 370.236 3.556 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)nc2)N1 587738418 OGXLEJOWSAXXCD-ABKXIKBNSA-N 353.210 3.920 0 1 FHAF COc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1F 587041056 UUXHBAMZYAWBOV-LBPRGKRZSA-N 353.419 3.693 0 1 FHAF Cc1c(-c2nc3cc4c(cc3[nH]2)OCO4)nnn1Cc1ccc(Cl)cc1 587073998 OWOAEPWZBBPVRX-UHFFFAOYSA-N 367.796 3.560 0 1 FHAF CCCc1c(O)ccc2c1O[C@](C)(/C(=C\OCC)C(=O)OCC)CC2=O 587477901 HXCUGKPAIHXAAO-LFDGNKEFSA-N 362.422 3.552 0 1 FHAF CC(C)(C)[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354694 RAPOUUFLWIPDJE-OXJNMPFZSA-N 358.365 3.760 0 1 FHAF Cc1cc2c(cc1O)[C@@H](c1c(Cl)cc(F)c(C)c1F)N[C@H](C(=O)O)C2 963523521 IHRARNALFSJWAT-GUYCJALGSA-N 367.779 3.629 0 1 FHAF CCCn1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962996064 QBKWEBRVDGBJEV-CJNGLKHVSA-N 354.784 3.518 0 1 FHAF COC(=N)c1nc2ccc3ncnc(Nc4ccc(O)cc4)c3c2s1 1772588433 PZKDRDMXOUMEFU-UHFFFAOYSA-N 351.391 3.660 0 1 FHAF CC(=O)c1ccc(OCc2cc(C(=O)N3CCCCCCC3)no2)cc1 14949279 JHSJJJCAVJBDBR-UHFFFAOYSA-N 356.422 3.863 0 3 FHAF COC(=O)c1ccc(Nc2nnc(SCc3ccccc3OC)[nH]2)cc1 14964275 BZRABYOGPQHVJS-UHFFFAOYSA-N 370.434 3.636 0 1 FHAF COC(=O)c1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1 14964279 ANVOVFUYYIRLNJ-UHFFFAOYSA-N 358.398 3.766 0 1 FHAF c1ccc(CCCOCCCN2CCN(Cc3ccccc3)CC2)cc1 1857559982 WLOOPUILLWGRMX-UHFFFAOYSA-N 352.522 3.844 0 1 FHAF COc1ccc(-c2noc(C)c2C(=O)NCCc2ccccc2F)cc1 774360 MAWUAMDBMVCRGD-UHFFFAOYSA-N 354.381 3.770 0 1 FHAF CCOC(=O)CCN(C)CCCOc1ccc(Cc2ccccc2)cc1 13475293 ZYJKIIQKAWCKDT-UHFFFAOYSA-N 355.478 3.931 0 1 FHAF C[C@@H]1C(=O)c2c(O)c3c(c([C@H](C)CC(=O)O)c2O[C@@H]1C)OC(C)(C)C=C3 14930296 MRVZBYVLLGHZED-OUAUKWLOSA-N 360.406 3.754 0 1 FHAF biogenic C[C@H](CN1C[C@H](N)[C@@H](c2cc(F)c(F)cc2F)CC1=O)c1ccccc1 14958788 VGILFTBJBXCPNX-PEELUZDISA-N 362.395 3.551 0 1 FHAF COC(=O)c1ccc(Nc2nnc(SCc3ccccc3C)[nH]2)cc1 14964271 KZOPEWSVPNZBQH-UHFFFAOYSA-N 354.435 3.936 0 1 FHAF NNc1nc(N)nc2ccc(Sc3cccc(C(F)(F)F)c3)cc12 26266610 VFBGAOLHHNFNQD-UHFFFAOYSA-N 351.357 3.668 0 1 FHAF CCOC(=O)Oc1ccc2cc(S[C@@H]3SC(=O)NC3=O)ccc2c1 29215388 YTEORUGKQXPRMZ-CQSZACIVSA-N 363.416 3.776 0 1 FHAF CNC(=S)Nc1ccc(-c2nnc(SCc3ccccc3)n2C)cc1 29410107 MWIQJAJWJHNQNQ-UHFFFAOYSA-N 369.519 3.691 0 1 FHAF COc1ccc(N(C)c2nc(NCCCN(C)C)nc3ccccc23)cc1 38307560 DQYRGKUJQJNOPX-UHFFFAOYSA-N 365.481 3.770 0 1 FHAF COc1ccc(CN2C[C@@]3(CC(C)(C)Oc4ccccc43)OCC2=O)cc1 40380315 ARLZKIINUSWGPC-JOCHJYFZSA-N 367.445 3.511 0 1 FHAF CCCN1CCc2cc3sc(=O)n(C)c3cc2[C@H]1c1cccc(OC)c1 45347396 DUOFEVDVQQKFMG-HXUWFJFHSA-N 368.502 3.966 0 1 FHAF CCSc1nnc(NC(=O)C(Cl)(C(F)(F)F)C(F)(F)F)s1 68574223 HIQYQPLNNZIGLN-UHFFFAOYSA-N 373.731 3.691 0 1 FHAF biogenic COc1ccc(C(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 71297126 JZLAPPDMKORKIO-UHFFFAOYSA-N 371.396 3.647 0 1 FHAF O=C1NCC2(CC2)c2[nH]c3c(c21)CCc1cnc(-c2cccc(F)c2)cc1-3 72112548 OSHCYABVVJIJAJ-UHFFFAOYSA-N 359.404 3.756 0 1 FHAF CC[C@H](C)NC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F 82152452 ZQXHQGFXSYQSEM-AWEZNQCLSA-N 356.445 3.801 0 1 FHAF O=C1NC[C@H](c2ccc(C3CCOCC3)cc2)N1c1ccc2[nH]cnc2c1 116196083 GWXBTXPEXGMINE-HXUWFJFHSA-N 362.433 3.728 0 1 FHAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)on1 140145994 SNQTVUXJKJMYRL-ZDUSSCGKSA-N 361.829 3.760 0 1 FHAF Nc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140218165 GQGFOCQMOAVYOK-UHFFFAOYSA-N 353.429 3.878 0 1 FHAF CSCCCNC(=O)c1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)cc1C 146676825 VCJNXPLAUFQNOZ-WJDWOHSUSA-N 369.490 3.607 0 1 FHAF Ic1cccc2nc(-c3occ4c3CCC4)[nH]c12 586905708 ZLQJLNSESRBIMF-UHFFFAOYSA-N 350.159 3.916 0 1 FHAF CCCCCOc1cc2nc(CC3OCCO3)[nH]c2cc1Br 586909428 YVBUUGHLWDXNJZ-UHFFFAOYSA-N 369.259 3.810 0 1 FHAF CCn1cc(Br)c(Cc2nc3cc(Cl)c(F)cc3[nH]2)n1 587000311 LJFKHJXOGODBJQ-UHFFFAOYSA-N 357.614 3.925 0 1 FHAF N=c1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2c[nH]1 587002559 WNGFRBKYSITLHM-UHFFFAOYSA-N 369.222 3.865 0 1 FHAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(C)ccc(C)c4[nH]3)cc12 587038078 QCNNLTLYLNHDIC-GFCCVEGCSA-N 367.478 3.927 0 1 FHAF O=C(O)c1cccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587043812 VMIMVQLWBNOXOH-CYBMUJFWSA-N 373.821 3.570 0 1 FHAF CNc1cc(Cl)ccc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587066268 LPLLCQWOXXDHHB-UHFFFAOYSA-N 355.873 3.677 0 1 FHAF N[C@@H](N=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587079129 GVUQZAPIMJBKIM-DYVFJYSZSA-N 368.828 3.664 0 1 FHAF CCCNS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587216788 MJGWAAWTTUCDCQ-UHFFFAOYSA-N 352.459 3.689 0 1 FHAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(=N)[nH]c4ccccc34)nc2c1 587253404 GVCVTKNVUPBESQ-UHFFFAOYSA-N 352.781 3.631 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CO)(c1ccc(Cl)c(Cl)c1)O2 587377914 ZZEPSRXZUPJLFS-KRWDZBQOSA-N 352.217 3.737 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(C[C@@H]3CCCO3)c1C)O2 587389913 NUSOKLNOGIBURR-MGPUTAFESA-N 354.450 3.881 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 587398393 GCDHJWBUQSRHRV-KBPBESRZSA-N 372.465 3.558 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C1)O2 587399649 MCXAUPXCXQUZJX-JORQVXCQSA-N 372.465 3.558 0 1 FHAF Nc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587559820 ZHLPQNHHVBTGDI-FXAWDEMLSA-N 351.333 3.816 0 1 FHAF CC1=C(c2ccc3nc(COc4cc(C)cc(C)c4)[nH]c3c2)NNC(=O)C1 587565150 YTTDNEVIVWAYJW-UHFFFAOYSA-N 362.433 3.514 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn2ccccc2n1 587585127 BHALPYBXIQSEJD-RXVVDRJESA-N 358.353 3.743 0 1 FHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)cn2)N1 587707445 VSXHANOHDWUCMD-WJWGPLDTSA-N 356.626 3.655 0 1 FHAF CCCn1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587766734 WVTRCWPCKPREEM-QFYYESIMSA-N 352.251 3.818 0 1 FHAF CCOC(=O)C[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794792 GQNCSVCUGRGLRB-QFYYESIMSA-N 358.251 3.681 0 1 FHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cccs1 587869240 DULGWVXJAMZRCT-UHFFFAOYSA-N 367.352 3.917 0 1 FHAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(OC(F)F)cc3F)c3cccc1c32 963038698 ZSQSYNPJXMPWLC-MLCYQJTMSA-N 362.351 3.570 0 1 FHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCC(=O)O)C1CCCCC1 963631406 DHNHOXMXVGABST-QKKBWIMNSA-N 361.482 3.878 0 1 FHAF CN1CCc2cnn(C)c2[C@]1(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCO1 963955262 OTHSGQHZSMGITK-UPVQGACJSA-N 373.500 3.998 0 1 FHAF NC(=O)[C@H]1CCCN(Cc2c(-c3ccccc3)[nH]c3ccnc(Cl)c23)C1 1772610724 SRURVFHUXMMJFP-AWEZNQCLSA-N 368.868 3.581 0 1 FHAF COc1ccc(CCNc2nc(NC3CC3)nc3ccccc23)cc1OC 1772637078 VFNGLFSCRLQIGD-UHFFFAOYSA-N 364.449 3.876 0 1 FHAF CC(C)C[C@H](NC(=O)/C=C/c1ccccc1)NC(=S)NC1CCCCC1 1772641330 SEXFVVRGDCVPGV-JKIKYLSZSA-N 373.566 3.985 0 1 FHAF CC(=O)O[C@H]1CC[C@@](C)(C(=O)O)[C@H]2CC[C@]34CC(=O)[C@@H](CC[C@H]3[C@]12C)C4 1911576836 RHZDZQTVAXNZIZ-IBLDWNTRSA-N 362.466 3.595 0 1 FHAF COc1cc2c(cc1CC=C(C)C)[C@]1(O)COc3cc(O)ccc3[C@H]1O2 2356487558 DTGTZDVJTVSZDV-NHCUHLMSSA-N 354.402 3.623 0 1 FHAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCC(C)(C)CO 4216537 RNEVKZSLZUEJBL-MOPGFXCFSA-N 360.498 3.835 0 1 FHAF COc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)/C2=C\N1CCCCC1 104651831 CGFFJBPKQXLIAW-HKWRFOASSA-N 362.429 3.709 0 1 FHAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(Cc4cccnc4)C[C@@H]2N3)cc1 100106609 XIXFSANCWHPGSO-UBRQYEGLSA-N 355.485 3.997 0 1 FHAF CCn1cc(-c2cc(CO)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 116911556 AWJWYRFYSCGZBT-LJQANCHMSA-N 374.362 3.841 0 1 FHAF CCc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)NCCc1ccccc1 29220564 UOMXJUXRUAJKEQ-HXUWFJFHSA-N 365.477 3.604 0 1 FHAF CCc1nc(-c2ncn3c2CN=C(c2ccccc2)c2ccccc2-3)no1 26388969 MVNBMKWQDMNFIR-UHFFFAOYSA-N 355.401 3.836 0 1 FHAF COC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@H]2N(C)C1 29485816 ISVOYYWZUYYPHT-XFQXTVEOSA-N 352.478 3.889 0 1 FHAF NC1CCC(Nc2cc(Br)cc3cc(C(=O)O)oc23)CC1 66166303 BLBAWGODFTZAEY-UHFFFAOYSA-N 353.216 3.575 0 1 FHAF in-vitro CN(C)CCCOc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1 62260288 RNMJVDSIEQMHJF-UHFFFAOYSA-N 373.460 3.789 0 1 FHAF CC=Cc1cc(OC)c(OC)cc1C(=O)c1cc(OC)c(OC)c(OC)c1 2356641442 PVXVSEZGIGQQGX-UHFFFAOYSA-N 372.417 3.994 0 1 FHAF C[C@@H]1CC[C@H]([C@H](C)CC[C@H](O)C(C)(C)O)c2cc(C(=O)O)cc(O)c21 2356866648 VODICXPZWAGZPJ-LGIULTMTSA-N 350.455 3.619 0 1 FHAF Cc1cccnc1N1CCN(c2nc3cc(C(F)(F)F)ccc3[nH]2)CC1 35952808 RJHPNUQYHFQVKY-UHFFFAOYSA-N 361.371 3.612 0 1 FHAF Cc1ccc(CCNc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 35077843 SVERNLBOIJHNMU-UHFFFAOYSA-N 359.477 3.706 0 1 FHAF COc1ccc(Cn2nc(C)cc2C[C@@H](O)c2c(F)cccc2F)cc1 45287239 AHNKYDNTBBPKOI-LJQANCHMSA-N 358.388 3.803 0 1 FHAF Cc1c(CCNC(=O)CCCN2C[C@@H](C)C[C@@H](C)C2)c2ccccc2n1C 45228150 QUUGHTNWRRZCIE-HDICACEKSA-N 369.553 3.904 0 1 FHAF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2c2cccnc2)n1)c1ccccc1 142128241 PQUDLJIIVMKQND-YOEHRIQHSA-N 361.405 3.743 0 1 FHAF COc1cc([C@H]2Oc3c(OC)cc([C@H](OC)[C@H](C)O)cc3[C@@H]2C)ccc1O 238752125 DHRVKFSLKMAPEL-HKKFXGGESA-N 374.433 3.715 0 1 FHAF Cc1c(-c2nc3ccc(CCO)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076250 SENPDZFKNRTCKM-UHFFFAOYSA-N 352.825 3.912 0 1 FHAF COc1ccncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587773429 ILINELFUGRILJO-ABKXIKBNSA-N 351.219 3.615 0 1 FHAF Oc1nccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586984278 DRRIWWXZQZIZBK-OAHLLOKOSA-N 373.254 3.611 0 1 FHAF Cc1noc(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793077 JJKBQGUFRCSOKN-ZKANADHPSA-N 353.235 3.991 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 587395455 MGXMSRURJHNIQW-DYVFJYSZSA-N 360.454 3.558 0 1 FHAF COc1cnccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587773409 IIENYAABUYSTJU-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)nc1OC 587519274 XPNQOWKUXASVTO-KRWDZBQOSA-N 369.417 3.693 0 1 FHAF C[C@]1(C(=O)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602933 LREDZRUGHWQBHL-AVRDEDQJSA-N 360.365 3.995 0 1 FHAF Cn1nc(C(F)(F)F)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587117998 MTJPXPZTGGHWTQ-UHFFFAOYSA-N 350.222 3.881 0 1 FHAF c1ccc(-c2cccc(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cc1 587961195 KJZSJXCRMBVDDH-UHFFFAOYSA-N 352.401 3.796 0 1 FHAF COCC(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798410 ZWILWTCAAZIPDA-GTNSWQLSSA-N 372.278 3.579 0 1 FHAF CCn1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587582762 QUQKNGKXDWODMM-RXVVDRJESA-N 364.401 3.928 0 1 FHAF Cc1c([C@@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C 587518027 YWWUCYZBYPXDPT-SSSWZJSRSA-N 365.477 3.543 0 1 FHAF Brc1cc(/C=C/c2nc3cnccc3[nH]2)cc2c1OCCO2 587002039 SFZVTVNXVTVQTI-OWOJBTEDSA-N 358.195 3.662 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc(S(C)(=O)=O)c2)N1 962962521 WCLCMOPVUNLKEV-VFNWGFHPSA-N 368.502 3.759 0 1 FHAF CN(Cc1ccc(F)cc1)c1cc(-c2n[nH]c(-c3ccccc3)n2)ncn1 1772590400 HRUMIAPXBNFKDE-UHFFFAOYSA-N 360.396 3.704 0 1 FHAF O=C(Nc1ccccc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C1CC1)N2 13123791 JXDAXXTYSDDKIL-TZMCWYRMSA-N 350.344 3.833 0 1 FHAF COc1cc(Nc2nc(O)nc(-c3ccccc3)n2)ccc1-c1cnco1 13445173 ONIBIQVERJQDKF-UHFFFAOYSA-N 361.361 3.651 0 1 FHAF Nc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)n1 13555170 XEQFXPQHQCSILM-UHFFFAOYSA-N 351.115 3.637 0 1 FHAF CN(C)CC[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 13684716 INHVINJBYGIEBE-LJQANCHMSA-N 359.901 3.829 0 1 FHAF Fc1ccccc1/C=C1\CNC[C@@H]2C1=NC(=S)N[C@@H]2c1ccccc1F 169729967 LYVDCPLEHZTRDA-FFQUPGJUSA-N 369.440 3.638 0 1 FHAF COc1ccc(CN[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)cc1OC 205705944 WSIRLUMMWZUXEA-NJNPRVFISA-N 372.509 3.507 0 3 FHAF CC(=O)N[C@@H]1CCCc2c1cncc2N1C(=O)c2ccc(Cl)cc2[C@H]1C 224484831 GELKDNJSUBLFHD-ADLMAVQZSA-N 369.852 3.970 0 1 FHAF Cc1cc(=O)c(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)o1 13581173 CSSUZNLFUOMICW-UHFFFAOYSA-N 358.390 3.825 0 1 FHAF O=C1O[C@H](Cn2ccnc2CF)CC1(c1ccccc1)c1ccccc1 13651108 SBJVRLRVAOWNIO-SFHVURJKSA-N 350.393 3.654 0 1 FHAF C[C@H]1CC(=O)c2c(SCc3cn[nH]n3)ccc(-c3nccs3)c2C1 26726505 SFQDQVWLPSONMD-SNVBAGLBSA-N 356.476 3.986 0 1 FHAF Cc1ncsc1C(=O)N(Cc1cc[nH]c(=O)c1)c1cccc(Cl)c1 40952140 VTKPFBYEHWLAEZ-UHFFFAOYSA-N 359.838 3.640 0 1 FHAF CN1[C@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccsc4)cc13)C2 96175183 SMOFOLADDUHJJG-YVEFUNNKSA-N 372.515 3.764 0 1 FHAF CC[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccccc2)C[C@]12NNC(=S)N2 299846335 KUAQYUNEZTVRNS-XSYGEPLQSA-N 353.491 3.594 0 1 FHAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(Br)cc2[nH]1 586921590 FNFLKEYFBCVVKA-UHFFFAOYSA-N 365.252 3.786 0 1 FHAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cccc(O)c3[nH]2)cs1 587019768 VWRRACCKNQSHRD-UHFFFAOYSA-N 365.418 3.960 0 1 FHAF COc1cc(-c2nc3cncnc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144476 ZSGVQCLWQPMVPW-UHFFFAOYSA-N 364.336 3.533 0 1 FHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 587241778 JDMOZHILOPGEAC-INIZCTEOSA-N 351.410 3.938 0 1 FHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cccc(Cl)c2[nH]1 587260550 ZALOTSJCOFHVHZ-HNNXBMFYSA-N 372.856 3.923 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]c3ccc(Br)cc13)O2 587373395 UUTXGGTVRVAYFI-HNNXBMFYSA-N 372.222 3.923 0 1 FHAF COC(=O)c1ccc2c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c2c1 587396604 MRGRERVDGJALAZ-OAQYLSRUSA-N 364.401 3.726 0 1 FHAF Cc1ccc(Cn2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2=O)cc1 587398468 HODZHJRILAZBKU-NRFANRHFSA-N 374.440 3.802 0 1 FHAF COc1cc(C)c(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587398997 HMRKMSTXJFEVTN-NRFANRHFSA-N 355.434 3.869 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(=O)N(C)C)c1)CC2=O 587471050 YFCZORXVHVNXLS-IBGZPJMESA-N 353.418 3.753 0 1 FHAF C[C@]1(c2ccnc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567881 FPSZCFBCAKPLOT-YLJYHZDGSA-N 351.333 3.803 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@H]1CCO[C@H]1C21CCC1 587608077 JIGPUHZHUOZMOS-XOLWZIEUSA-N 364.397 3.682 0 1 FHAF CCCCOc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652042 KBHSKTSNNYFRLH-UHFFFAOYSA-N 356.809 3.917 0 1 FHAF CC(C)CCOC(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796968 UTDXCHLXSKOVES-APPDUMDISA-N 372.278 3.927 0 1 FHAF COC(=O)[C@@H]1[C@H](C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587803731 BSYMAPOQMJTFMW-HHBKUABFSA-N 370.262 3.537 0 1 FHAF CC(=O)OC1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587813409 VNQMDSKASQYXRC-ITNLDZRZSA-N 370.262 3.823 0 1 FHAF Cc1sc(=N)[nH]c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587852827 NFSTZQWRRQAXDJ-MLXNANBUSA-N 370.291 3.563 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc(Cl)c1N 587861050 LCWLXEUJXZXLMH-UHFFFAOYSA-N 369.734 3.592 0 1 FHAF CC(C)c1nn(C)c2c1[C@@](C)([C@@H]1CC=C(Br)CC1)NCC2 962923490 ZFDGCQGCUYZPQO-SJKOYZFVSA-N 352.320 3.983 0 1 FHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ncc(Br)cc2N)N1 962945695 JSOOJJIBXRVZAL-VOJFVSQTSA-N 371.282 3.921 0 1 FHAF COc1cccc2c3c(cnc12)CCN[C@@]3(CCCC(=O)O)C1CCC1 963050873 DJVSTDJXYQXWGR-NRFANRHFSA-N 354.450 3.639 0 1 FHAF COc1cc([C@@H]2C[C@@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc(OC)c1OC 1772649503 VHBNMPDAZYGSTM-QTUIHCGYSA-N 366.429 3.598 0 1 FHAF CC(=O)Nc1cccc(N=c2ncc3cc(Br)ccc3[nH]2)c1 1857639220 FMFLTZCIXAKGOK-UHFFFAOYSA-N 357.211 3.516 0 1 FHAF O=C(c1ccc(Cl)cc1)N1C[C@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 2356299146 ZEJCPZHFDUJKTD-YOEHRIQHSA-N 373.815 3.596 0 1 FHAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCC(=O)O)[C@@H](O)C[C@H]1O 2356345347 ODXIHYQVXXYLQK-DMUMMCEESA-N 374.518 3.626 0 1 FHAF COc1cc(-c2noc(C)c2-c2ccc(N(C)C)nc2)cc(OC)c1OC 12474702 YYKVLRQUTRJDFZ-UHFFFAOYSA-N 369.421 3.804 0 3 FHAF COC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)cc1 7992259 LMWKBMIWUAAPDV-GOSISDBHSA-N 371.433 3.621 0 1 FHAF COc1ccc2c(c1OC)CN(C)[C@@H]1c3cc4c(cc3C=C[C@@H]21)OCO4 2356845560 OGDCDPWBKHUIEV-XOBRGWDASA-N 351.402 3.730 0 1 FHAF CC(C)(CCCCCCCCCCC(C)(C)[C@H](O)C(=O)O)[C@H](O)C(=O)O 26171035 KZIQOIQRKKXONA-HZPDHXFCSA-N 374.518 3.831 0 1 FHAF O=C(COc1ccc(F)cc1Cl)Nc1nnc(-c2ccc(F)cc2)o1 66148025 KMYIPFFIJSWKOE-UHFFFAOYSA-N 365.723 3.686 0 1 FHAF CCOC(=O)c1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1 3189064 JHEDDEOIWNLMDU-UHFFFAOYSA-N 357.250 3.933 0 1 FHAF biogenic Clc1ccccc1-c1ccc2ncnc(NCCN3CCOCC3)c2c1 33362350 FYJBUNRSXXWFPK-UHFFFAOYSA-N 368.868 3.694 0 1 FHAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1ccccc1 1911581550 IIFJJYLUONHATJ-INIZCTEOSA-N 363.244 3.805 0 1 FHAF O[C@@H](CNCc1cccc(F)c1)Cn1c2c(c3ccccc31)CCCC2 73196562 CXFQFIJWCHXSNR-SFHVURJKSA-N 352.453 3.810 0 1 FHAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCCNCC3)co2)cc1 82076568 YJFNSDIFVRXBKD-UHFFFAOYSA-N 371.481 3.736 0 1 FHAF COc1ccc2c(c1)NC(=O)Cc1cnc3cc(-c4ccccc4)nn3c1-2 45385762 JCVZSDHNGQFOMA-UHFFFAOYSA-N 356.385 3.567 0 1 FHAF O=S(=O)(Nc1ccncc1Nc1cccc(Cl)c1)C(F)(F)F 49554550 YFYONHYUUJDOCL-UHFFFAOYSA-N 351.737 3.740 0 1 FHAF CCCOc1ccc(N2CC(c3ccc(C[C@H](C)NC(C)=O)cc3)C2)cn1 149627365 ZZFKKXFJUJLMTM-INIZCTEOSA-N 367.493 3.541 0 1 FHAF COc1cc(-c2cccc(=O)n2-c2cccc(F)c2)cc(OC)c1OC 96929953 XBJCSIPQAOCRMB-UHFFFAOYSA-N 355.365 3.669 0 1 FHAF Fc1cc(-c2nc3c(c(N4CCOCC4)n2)CCCC3)c(F)cc1Cl 95576785 XAENKMLQUJRZPV-UHFFFAOYSA-N 365.811 3.791 0 1 FHAF COc1cccc(/C=C/CC(=O)Nc2nc3ccccc3c(=O)s2)c1 96905826 LBUAUZQZSWNSDK-FNORWQNLSA-N 352.415 3.707 0 1 FHAF Cc1ccc2[nH]cc([C@]3(O)C(=O)Nc4ccc(OC(F)(F)F)cc43)c2c1 299828500 JOUSQIDEHCONDG-KRWDZBQOSA-N 362.307 3.563 0 1 FHAF COc1ccc(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)cc1 653803336 YNNNBSQQVGIBKM-UHFFFAOYSA-N 371.872 3.698 0 1 FHAF N=c1[nH]oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 587578241 VMOHYPYDWUSHHN-YLJYHZDGSA-N 374.352 3.649 0 1 FHAF COC(=O)c1ccnc2[nH]c(CCCOc3ccc(Cl)cc3C)nc12 587067224 ZGHDVGCIFWBWKW-UHFFFAOYSA-N 359.813 3.718 0 1 FHAF CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587578806 BCFKSOZWBWSMDT-YLJYHZDGSA-N 350.374 3.620 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cccn1[C@@H](CC(C)C)C(=O)O)[C@@H](C2)C3=O 587432573 WOIVXXDJNHRXLY-DKICVRJWSA-N 369.417 3.657 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(F)cc4)nc1C)[C@@H](C2)C3=O 587430076 ZQHVXUVZPLFDKT-HRAATJIYSA-N 364.376 3.817 0 1 FHAF O=C1O/C(=C\c2nc3ccc(Br)c(O)c3[nH]2)c2ccccc21 586905809 CRFDDXPTNREZJG-GHXNOFRVSA-N 357.163 3.700 0 1 FHAF CCOC(=O)[C@@H]1[C@@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@H]21 587107144 PROLHSMQECSOFT-JSNMRZPZSA-N 355.393 3.895 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(c1cncc(Br)c1)[C@@H](C2)C3=O 587416909 GDSIPPVCXOVJSP-GUYCJALGSA-N 360.207 3.516 0 1 FHAF CCn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2N2CCOCC2)c(C)n1 587631986 OLPDQGDDGNFTTC-UHFFFAOYSA-N 362.836 3.989 0 1 FHAF Cc1cc(-n2ncc3ccc(Cl)cc3c2=O)ncc1Br 587650945 IAZMYQGVVOZZKJ-UHFFFAOYSA-N 350.603 3.505 0 1 FHAF COc1nc2sccn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587538933 SFQADVQCNLVVOR-OAHLLOKOSA-N 354.431 3.990 0 1 FHAF O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3C[C@@H]2CC3=O)[C@@H]1c1ccc(F)cc1 587350073 HGMVMHYNRFKRND-RQPRICHHSA-N 352.361 3.628 0 1 FHAF COC(=O)c1ccc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 587927300 SCQLKNBXTJREQB-GFCCVEGCSA-N 354.406 3.713 0 1 FHAF COc1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(C(F)(F)F)c1 587095850 XIQGZPRWMSJDSL-UHFFFAOYSA-N 373.132 3.761 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OC(F)(F)F)ccc1O)O2 587382261 LEAVWBPNYZOCFL-OAHLLOKOSA-N 353.296 3.888 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COCc3ccccc32)N1 587836719 XPNZJXXLHYGJCD-ADLMAVQZSA-N 362.242 3.896 0 1 FHAF COc1cccnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587772525 OFRFFPCEBUEGGI-BJOHPYRUSA-N 351.219 3.615 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nccn23)N1 587776550 XXKUKMQZEKLOIB-QGHHPUGFSA-N 360.230 3.860 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3ccccc3c1C(=O)O)O2 587395322 PQQFSUIXEUTMHM-OAQYLSRUSA-N 362.385 3.704 0 1 FHAF COc1ccc([C@@]2(C[C@@H](C)C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403686 PQSJKCZUXQZTCM-LRTDBIEQSA-N 369.417 3.557 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3CCC3=O)c1)CC2=O 587473934 CVZWJHZYTWSDAK-JOCHJYFZSA-N 365.429 3.962 0 1 FHAF Cc1cc2c(cc1O)[C@H]([C@H]1CCC[C@@H](C(F)(F)F)C1)N[C@H](C(=O)O)C2 963512441 WGMHGFSZFVHFBY-MXZCIGPVSA-N 357.372 3.709 0 1 FHAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C)c3)C2)cc1 1772608975 UAXFXLXBSYEABL-LAUBAEHRSA-N 352.478 3.892 0 1 FHAF COc1cc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)cc2c1OCO2 12581344 BQKLBMRZHIZIHM-OAHLLOKOSA-N 373.474 3.889 0 1 FHAF N[C@@H](COCc1ccccc1)COc1cncc(/C=C/c2ccncc2)c1 14957608 XFTPNRUQKBIHDT-BXKJMJEDSA-N 361.445 3.570 0 1 FHAF COc1ccc2[nH]c(=O)c(-c3nc4ccc(Br)cc4[nH]3)cc2c1 1857649076 WYEYAIOOXUQKPH-UHFFFAOYSA-N 370.206 3.843 0 1 FHAF CC(=O)c1ccc([C@H]2C=C[C@H](Oc3ccc(F)cc3C)[C@@H](CO)O2)cc1 7992629 ORMRPUROBPYGCF-QHAWAJNXSA-N 356.393 3.773 0 1 FHAF CCOC(=O)c1ccc(NC(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1 8602763 BYUMTFJNTQXHTI-KRWDZBQOSA-N 365.433 3.884 0 1 FHAF COc1cc(OC)c(/C=C2\C=C(Cc3ccccc3)C(=O)O2)c(OC)c1 103218333 OUESSEYPPPXHNS-GZTJUZNOSA-N 352.386 3.779 0 1 FHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3c(CO)cccc3CC[C@@H]21 100620961 NXJHRJSVNRSODM-FPOVZHCZSA-N 360.457 3.772 0 1 FHAF Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(=S)n2[nH]1 104153604 VADDQLGFZCGMKE-UHFFFAOYSA-N 360.446 3.841 0 3 FHAF CN(C)C(=O)COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12 28359680 ISFHUHIGTOECSI-UHFFFAOYSA-N 366.392 3.698 0 1 FHAF c1ccc([C@H]2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1 28883516 UFTSHWLSGKIRED-HXUWFJFHSA-N 351.494 3.572 0 1 FHAF COc1ccc(C2=NN(C3CCCC3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26567819 PMDTUKRFGFOQKR-SJORKVTESA-N 356.466 3.999 0 1 FHAF Cc1cc(O)c2c(c1Cl)[C@@H]1Oc3cccc(C(=O)O)c3C(O)=C1OC2=O 2356832357 IAOJBNMFQKDFKR-HNNXBMFYSA-N 374.732 3.583 0 1 FHAF O=C(O)C=C1CN([C@H]2CC[C@@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64436498 GIZCWMURBFLMON-XUZZJYLKSA-N 359.469 3.950 0 1 FHAF COc1cc(-c2nccc3[nH]nc(-c4ccncc4)c23)cc(OC)c1OC 74388496 GGKBCXCBTIHDLM-UHFFFAOYSA-N 362.389 3.713 0 3 FHAF NC1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1 1911584105 VFVBALBAJFNNDO-UHFFFAOYSA-N 365.506 3.560 0 1 FHAF CC[C@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)N(C)c1ccc(Cl)cc1 38929823 ABANHPVMOWARPS-UJJTZGENSA-N 350.890 3.723 0 1 FHAF CCCCNC(=O)[C@H](C)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82083515 AEMLFGYMFXCGNY-AWEZNQCLSA-N 365.433 3.529 0 1 FHAF Cc1ccnc(Nc2cccc(-c3ccnc(N4CCC(N)CC4)c3)n2)c1 84925530 ZTNQUJBESUSSBL-UHFFFAOYSA-N 360.465 3.518 0 1 FHAF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)N1CCCCC1 82070095 JBPFPVVRBPBBFI-QGZVFWFLSA-N 371.506 3.577 0 1 FHAF Cc1cc([C@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc2c1OCO2 238786366 LODNQAFUIQQIPG-LATRNWQMSA-N 368.385 3.528 0 1 FHAF C=CC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 621477732 XVLKYWFWYKCRLX-HNNXBMFYSA-N 358.825 3.507 0 1 FHAF FC1(F)Oc2ccc(Nc3ncc(C(F)(F)F)c(=NC4CC4)[nH]3)cc2O1 2382217291 ACIBBWPFHYLNQW-UHFFFAOYSA-N 374.269 3.557 0 1 FHAF O=C1Nc2ccc(Cl)cc2/C1=C/c1cc(-c2ccc3c(c2)OCO3)n[nH]1 299872005 ZPYHJFPYDNZFRP-AUWJEWJLSA-N 365.776 3.952 0 1 FHAF CC[C@]1(C)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(N)ccc2O1 587392018 VXNQUOHHXQMZPW-NHCUHLMSSA-N 352.434 3.971 0 1 FHAF CCOC(=O)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800263 WKNRIMYPJAOSRZ-QLJPJBMISA-N 358.251 3.681 0 1 FHAF Nc1c(F)c(F)cc(-c2nc3ccc(Br)c(O)c3[nH]2)c1F 587136048 ALGGZSUHTYAAQC-UHFFFAOYSA-N 358.117 3.698 0 1 FHAF COc1ccnc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587768907 DQCOWOQEICFGJS-QGHHPUGFSA-N 365.246 3.790 0 1 FHAF COc1cccc(CCc2nc3c(F)cnc(Br)c3[nH]2)c1 587930751 KEKKEJCBUUBDHK-UHFFFAOYSA-N 350.191 3.653 0 1 FHAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cc(F)c2[nH]1 587094343 PYODLDNZGNVXEP-YFKPBYRVSA-N 368.128 3.594 0 1 FHAF O=C(NCc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1cscn1 587027804 HGYGFWQIHNTHQH-UHFFFAOYSA-N 364.430 3.528 0 1 FHAF COc1cc(OC)c([C@]2(C)NCCc3c2sc(C)c3C)cc1C(C)=O 963011192 OIICIDRZRRFWJD-FQEVSTJZSA-N 359.491 3.994 0 1 FHAF CCOC(=O)[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 13491894 QLYZEQUNVZDFRM-OAQYLSRUSA-N 365.473 3.682 0 1 FHAF CCN(CC)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 13747375 UKGNNUUHKFDIDX-UHFFFAOYSA-N 355.504 3.642 0 1 FHAF CC[C@H](O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 13834607 KICDMNVNNBMFEL-INIZCTEOSA-N 353.470 3.723 0 1 FHAF O=C(NC[C@H]1CCCO1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959126 HKKKUFBFJIIVRA-OAHLLOKOSA-N 370.840 3.634 0 1 FHAF Cc1sc(C)c2c1CC(NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2 167920047 CGVUCVLXGMIVEB-UHFFFAOYSA-N 369.486 3.596 0 1 FHAF C[C@@H]1CN(C(=O)c2cccc(C#N)c2)Cc2cc(COc3ccccc3)nn21 168079923 OIQCUBIJVNLQOQ-MRXNPFEDSA-N 372.428 3.551 0 1 FHAF c1ccc(-c2nnn3c2[C@@H]2CCCCN2Cc2cc4c(cc2-3)OCO4)cc1 1857601513 IIOJSXPYNKWTRI-INIZCTEOSA-N 360.417 3.704 0 1 FHAF COC(=O)C1=CCC[C@@H]2O[C@H]2CCC(C(=O)OC)=CC=C(C(C)C)CC1 253666678 NJAATXWPYRPTPP-OALUTQOASA-N 362.466 3.889 0 1 FHAF CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2C)ccc1OC 776009 RXWZGZUWODFSBD-UHFFFAOYSA-N 360.454 3.660 0 1 FHAF Cn1c(=O)n(-c2ccc(F)c(Cl)c2)c(=O)c2sc3ccccc3c21 6739268 DNUZMQWBVHHYGD-UHFFFAOYSA-N 360.797 3.697 0 1 FHAF COc1ccc(C2=NNC(=O)[C@H]3CCCC[C@H]23)c2c1OC1(CCCC1)C2 13474143 JFIPQLSQEHFZKL-ZFWWWQNUSA-N 354.450 3.583 0 1 FHAF COc1ccccc1N1CCN(CCCCC(=O)c2ccccc2)CC1 13493239 VGWKAEMXRPLFIS-UHFFFAOYSA-N 352.478 3.870 0 1 FHAF Cc1[nH]c2ccccc2c1C1=C(c2c(C)[nH]c3ccccc23)C(=O)NC1=O 14943772 NSVKLEKFZHEGLS-UHFFFAOYSA-N 355.397 3.833 0 1 FHAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 29216575 QKEMXTZZPULBCH-YGTPODQOSA-N 353.506 3.835 0 1 FHAF COC(=O)[C@@H](C)Oc1ccc(N(C)c2ccc(C(F)(F)F)cn2)cc1 29254040 MXNRWGJUBURZRG-LLVKDONJSA-N 354.328 3.809 0 1 FHAF CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)cc1)[C@H](O)C(C)(C)O2 40640598 QGFDGGSDHAUSSB-OALUTQOASA-N 357.425 3.952 0 1 FHAF COc1cc2c(cc1OC)[C@H]1C[C@H](NCCF)[C@H](CC(C)C)CN1CC2 58480574 YMERYCTWSIREBR-NZSAHSFTSA-N 364.505 3.597 0 1 FHAF CS(=O)(=O)c1cnc2nc(-c3ccc(-c4ccccc4F)cc3)[nH]c2c1 64527261 BWABONCEYZCPSJ-UHFFFAOYSA-N 367.405 3.835 0 1 FHAF CCCCCN1C(=O)[C@](OC)(c2ccc3c(c2)OCO3)c2ccccc21 71341637 UIXKNPRZXZCNHB-NRFANRHFSA-N 353.418 3.842 0 1 FHAF COc1ccc([C@@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cn1 72113000 BYJUDJGGGMAIRI-KBPBESRZSA-N 359.792 3.621 0 1 FHAF CC(C)CNc1ncnc2c1nc(CC(C)(C)C)n2CC[C@H]1CCCN1C 82178198 PWBZVTRXDRETTJ-MRXNPFEDSA-N 372.561 3.967 0 1 FHAF CCCCCCC1(c2ccc(-c3ccccc3)cc2)C(=O)NC(=O)NC1=O 84595504 KYTLMUVGULFASG-UHFFFAOYSA-N 364.445 3.928 0 1 FHAF in-vivo O=C(NC1CC1)c1ccc(-n2c(C(F)(F)F)nc3ccccc32)s1 84602804 QURCGBATQHAFAH-UHFFFAOYSA-N 351.353 3.998 0 1 FHAF C[C@H]1CN(c2cc(/C=C/CO)nc3cc(F)c(Cl)cc23)C[C@H](C)O1 96935461 YWRPHXMRUYEACS-QSKOYVBTSA-N 350.821 3.646 0 1 FHAF COc1ccccc1-c1ccc2cccc3c2c1C(=O)N(CCN(C)C)C3=O 96939249 ZRCVZNFZQVWWQN-UHFFFAOYSA-N 374.440 3.673 0 1 FHAF COc1cccc(-c2ccc3c4c(cccc24)C(=O)N(CCN(C)C)C3=O)c1 96939899 QFLWFTOVTPDRLR-UHFFFAOYSA-N 374.440 3.673 0 1 FHAF O=C1/C=C/[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2/C=C/CCC[C@H](CCc2ccccc2)O1 103146818 CSSYWQYQCALYND-SAADUKRKSA-N 370.489 3.575 0 1 FHAF Cc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 208145024 KEXDPSXGMWVJRT-UHFFFAOYSA-N 369.472 3.987 0 1 FHAF O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[n+](=O)c2ccccc2n1O 377812420 RXHCAEPVWQHZHK-UHFFFAOYSA-N 369.706 3.696 0 1 FHAF Cc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2n1 587004010 ZKONSDVXALBMMY-UHFFFAOYSA-N 356.227 3.621 0 1 FHAF COc1cc(/C=C/c2nc3c[nH]c(=N)[nH]c-3n2)cc(Cl)c1OCC(C)C 587047590 YEYMYSRKVWUZKQ-SNAWJCMRSA-N 373.844 3.584 0 1 FHAF Cc1ncncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350868 YSMSAAJNVXVYDW-TZIWHRDSSA-N 364.376 3.904 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)NC1CCCCCCC1)[C@@H](C2)C3=O 587433012 OLOCIRJWTGGCGD-JTSKRJEESA-N 371.477 3.821 0 1 FHAF COc1cc2c3c(c1)O[C@@](CCCCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587447950 WXXZWHOKMCHOPB-JTSKRJEESA-N 366.413 3.983 0 1 FHAF O=Cc1ccc(OCCc2nc3cc(Br)cc(F)c3[nH]2)cc1 587566499 PLKFWOJJCHYZOL-UHFFFAOYSA-N 363.186 3.899 0 1 FHAF Cn1nc(C2CC2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580443 HZXZARNKSGIPET-NQIIRXRSSA-N 362.385 3.706 0 1 FHAF COC(=O)C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593686 MTGSHDJOXXSRSB-LAUBAEHRSA-N 370.401 3.702 0 1 FHAF CC(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n[nH]1 587596737 RNFSEPZKGFMGRE-PXNSSMCTSA-N 350.374 3.942 0 1 FHAF O=C(Cc1c(F)cccc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651123 DCCKHRXFCGPRGI-UHFFFAOYSA-N 351.164 3.725 0 1 FHAF CCc1nccn1C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755005 NPIJORDTTBIDND-APPDUMDISA-N 366.278 3.797 0 1 FHAF C[C@H]1C[C@@]2(CN1C1CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587763216 XQYBEWZWRAXRTP-RLFDGXBXSA-N 353.279 3.574 0 1 FHAF O=C(CCC(=O)n1nc2cc1Oc1ccc(F)cc1-2)NCc1ccccc1 587873781 MIVKFHMOGAFJCU-UHFFFAOYSA-N 365.364 3.532 0 1 FHAF COC(=O)c1cccc([C@]2(C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1 962619833 HFMURLKTTRSFDT-RCDICMHDSA-N 369.461 3.630 0 1 FHAF Cn1c(S)nnc1Cn1c(C2CC2)nc2cc(Cl)c(Cl)cc21 1772605453 GICGDMNAWVFKFI-UHFFFAOYSA-N 354.266 3.686 0 1 FHAF COc1ccc(/C(=C/c2ccc3ccccc3c2)c2nn[nH]n2)cc1OC 1857548959 DJKTVGDPXIWTNZ-PDGQHHTCSA-N 358.401 3.959 0 1 FHAF COc1ccc(-n2c(-c3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1 1857642591 QWNOZEOAKRQPDZ-UHFFFAOYSA-N 372.380 3.790 0 1 FHAF COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cccnc23)cn1 1857649162 XODSKPZUYKGNMW-UHFFFAOYSA-N 359.389 3.654 0 1 FHAF C[C@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C(=O)C1 1857754953 LFXGWFKCPKGROF-BBRMVZONSA-N 372.415 3.692 0 1 FHAF C[C@@H]1Cc2cc(C=C[C@]34NC(=O)CN3c3ccccc3C4(C)C)ccc2O1 2356742434 TWCVOODGGUWAPC-CMJOXMDJSA-N 360.457 3.647 0 1 FHAF CCn1nc(C)cc1C(=O)N1CCC[C@@H](C(=O)c2ccccc2SC)C1 12431056 SUMRVKMMIHOPRV-OAHLLOKOSA-N 371.506 3.668 0 3 FHAF CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccoc3)N2C1=O 12360792 YQMWCSCLGHQZHK-IEBWSBKVSA-N 363.417 3.839 0 1 FHAF Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1 13581102 VWAVMVBNSJOHSA-UHFFFAOYSA-N 364.424 3.851 0 1 FHAF O=C(c1ccc2ccoc2c1)c1cn(CCN2CCOCC2)c2ccccc12 13742604 CDZPYGPEJCBABG-UHFFFAOYSA-N 374.440 3.951 0 1 FHAF CCCC(=O)c1c2c(c(O)c3c(CCC)cc(=O)oc13)C[C@H](O)C(C)(C)O2 14586085 JKOPHYFSGRCMOF-AWEZNQCLSA-N 374.433 3.508 0 1 FHAF endogenous,in-man CCCOC(=O)n1c2cc(C)ccc2c2oc(C(=O)N3CCOCC3)cc21 26378670 LAWCOGGRBSYWMI-UHFFFAOYSA-N 370.405 3.563 0 1 FHAF COc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1OC 28567153 GMFCATPFEZZWHI-UHFFFAOYSA-N 365.311 3.850 0 1 FHAF C[C@H]1CN2CCN(Cc3cccs3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 28604384 ZUVSIBRHCXOYOZ-YRISNDGFSA-N 356.535 3.938 0 1 FHAF Cc1ccc(NC(=O)CCCNCC(=O)Nc2c(C)cccc2C)c(C)c1 28706769 MNZTWKNEVRANFM-UHFFFAOYSA-N 367.493 3.867 0 1 FHAF CCc1c2c(nc3ccc(C)cc13)-c1cc3c(CO)cccc3c(=O)n1C2 29126186 PJRYOIISDVORFD-UHFFFAOYSA-N 356.425 3.942 0 1 FHAF CC1(C)C=Cc2c(ccc3c2OC[C@H](c2cc(C=O)c(O)cc2O)C3)O1 43153653 XIEKVEQDEUJPTD-CQSZACIVSA-N 352.386 3.813 0 1 FHAF biogenic CN(C)CCN1C(=O)c2cccc3cc(-c4cccs4)cc(c23)C1=O 66259304 ZXUDEOPFUOLYOH-UHFFFAOYSA-N 350.443 3.726 0 1 FHAF COc1cc(O)c(/C=C\C(C)(C)O)c2c1C(=O)C[C@H](c1ccc(O)cc1)O2 71281858 UQJDHMKAJSKDGS-XZVRFQMRSA-N 370.401 3.597 0 1 FHAF COc1ccccc1N1CCN(Cc2coc(-c3ccccc3C)n2)CC1 72181811 LTXVDGSDXLHSBZ-UHFFFAOYSA-N 363.461 3.981 0 1 FHAF CC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1 73198289 BHPWHRPVZOWBAN-UHFFFAOYSA-N 366.465 3.594 0 1 FHAF COc1cc2nc(NC[C@H]3CCCO3)nc(NCCC(C)C)c2cc1OC 82131158 HLWHMWCYFNOTHV-CQSZACIVSA-N 374.485 3.696 0 1 FHAF O=C(Cc1ccc(F)cc1)Nc1ccc2[nH]cc(C3CCNCC3)c2c1 98208568 UQJDOYKPKPJIFW-UHFFFAOYSA-N 351.425 3.955 0 1 FHAF in-vitro O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl 101146963 VJMRSAOJZSLDHY-DOZNWIKDSA-N 357.624 3.781 0 1 FHAF CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1 103263538 NAXWFMLBRMYPFB-UHFFFAOYSA-N 361.808 3.917 0 1 FHAF Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 114709416 NPQQHAIGYZMIBS-UHFFFAOYSA-N 354.498 3.729 0 1 FHAF CCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2cc(OC)ccc12 169312088 DIMFVJQCISYHNA-UHFFFAOYSA-N 365.477 3.777 0 1 FHAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCC[18F])[C@@H](c1ccc(Br)cc1)C2 169363388 LEEXJBMYTWENTA-VZOVRYDYSA-N 369.265 3.528 0 1 FHAF COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[C@@H](C)[C@H](C)[C@H]2O 238747796 JFWINFODWGRQNJ-ITQSLMPISA-N 356.418 3.884 0 1 FHAF C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC[C@@H]1C(=O)O 586989964 HBIOOYUFXZRCDW-QWRGUYRKSA-N 359.381 3.902 0 1 FHAF c1ccc2c(c1)nc(-c1cscn1)n2Cc1nc2cc3cn[nH]c3cc2[nH]1 587029451 OVQJINFRFRHTFZ-UHFFFAOYSA-N 371.429 3.961 0 1 FHAF C[C@H](F)[C@H](N)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587122817 GVDYSYFLDKSMJL-IGJIYHIXSA-N 356.117 3.582 0 1 FHAF CC(=O)Nc1cccc(Cc2nc3c(C)c(Br)cnc3[nH]2)c1 587242406 KSDKALMFAAVLCF-UHFFFAOYSA-N 359.227 3.578 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1-c1cccs1)[C@@H](C2)C3=O 587448649 ANSTYFRGOSJTSA-HXPMCKFVSA-N 352.415 3.646 0 1 FHAF Cc1c(F)ccc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587500491 CEUDLGYRXWYDOJ-OAQYLSRUSA-N 351.377 3.826 0 1 FHAF CC(C)Cn1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587580804 JIBBWEQXDBGKRS-NQIIRXRSSA-N 364.401 3.948 0 1 FHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(F)n1 587655486 JYTGDORIBOXZDN-UHFFFAOYSA-N 353.303 3.865 0 1 FHAF CC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704692 JKKAFNPCTKMBKZ-WPPNPWJKSA-N 368.168 3.859 0 1 FHAF Cc1[nH]c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C=O 587790917 KFVQUKXJFUMXMM-RBHXEPJQSA-N 365.246 3.969 0 1 FHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1nc2ccccc2[nH]1 587872682 RDVANGPKIGVJTO-UHFFFAOYSA-N 364.380 3.847 0 1 FHAF Oc1cc(-c2ccccc2F)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587944552 BVGBUIGTNYFVPD-UHFFFAOYSA-N 354.316 3.619 0 1 FHAF CC(=O)N1CCc2sc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cc2C1 963118612 ZTESBDCEOWEJNV-LAUBAEHRSA-N 370.493 3.902 0 1 FHAF CN[C@@H]1[C@H]2CC[C@@]34[C@@H](O)C[C@@]5(C)CCC[C@@](O)(C5)[C@@]3(C2)C[C@]42CCC[C@@H]12 2356356142 JKQIHFCAOYBZNP-QAGABSCZSA-N 359.554 3.627 0 1 FHAF COc1cc(OC)c(C[C@@H](C)[C@@H](C)Cc2cc3c(cc2O)OCO3)cc1O 2356517405 IQTGLBVEPWUBII-QWHCGFSZSA-N 374.433 3.901 0 1 FHAF COc1ccc(C=COC(=O)C=Cc2ccc(OC)c(OC)c2)cc1OC 2356637042 FFJRMUMVFUHXCF-UHFFFAOYSA-N 370.401 3.948 0 1 FHAF COc1cc(O)cc(-c2cc3cc(O)c4c(c3o2)C=C[C@](C)(CO)O4)c1 2356699196 HVNMYEKTMWVINM-HXUWFJFHSA-N 354.358 3.676 0 1 FHAF O=C(CCN1CCCCC1)Nc1ccc2c(c1)/C(=C\c1ccco1)C(=O)N2 2382221434 CCPIWDZIBSSFQT-NBVRZTHBSA-N 365.433 3.587 0 1 FHAF O=S(=O)(NCc1ccccc1)c1ccc2[nH]c(-c3ccccc3)nc2c1 2468130 KNKQZIHETGKRSD-UHFFFAOYSA-N 363.442 3.708 0 1 FHAF O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1C1CCCC1 4906686 JWGPXPJMKJYNRW-UHFFFAOYSA-N 354.837 3.980 0 1 FHAF COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1 13470712 SHEZXZSIBXLQMP-UHFFFAOYSA-N 351.494 3.939 0 1 FHAF O[C@@](Cn1ccnc1)(c1ccc(F)cc1)c1ccc(Br)cc1 26940806 KFQOPYPXFREYFN-QGZVFWFLSA-N 361.214 3.721 0 1 FHAF c1ccc(-c2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1 34338744 ROVLEDBBPHYZHH-UHFFFAOYSA-N 374.444 3.691 0 1 FHAF COc1c(F)cc(C[C@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1F 45202772 WOEKXZKYVQIOAS-GTNSWQLSSA-N 355.812 3.881 0 1 FHAF COC(=O)/C=C/c1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45315025 BZMKPFUJLLMWKQ-UELALMBDSA-N 373.880 3.780 0 1 FHAF CC(C)CNc1ncnc2c1nc(CC(C)C)n2CC[C@@H]1CCCN1C 82178060 DKPWNVUSVRRDCK-INIZCTEOSA-N 358.534 3.577 0 1 FHAF O=c1[nH]c2ccc(Nc3nccc(Nc4ccccc4Cl)n3)cc2[nH]1 89469989 IHHQKCHZXRIDLL-UHFFFAOYSA-N 352.785 3.787 0 1 FHAF CCCS(=O)(=O)c1ccc2[nH]c(N3CC[C@@H](c4ccccc4)C3)nc2c1 95573704 VZLRZZSIKSDTHI-MRXNPFEDSA-N 369.490 3.741 0 1 FHAF Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(CO)c3)cc2)cc1 95580765 SMYLZNHIXOJDLE-UHFFFAOYSA-N 353.443 3.955 0 1 FHAF CCCN1CCc2cc(OC)c(O)c3c2[C@H]1Cc1cc(OC)c(OC)cc1-3 95588624 VOUFDSCQEPRICK-MRXNPFEDSA-N 369.461 3.950 0 1 FHAF CN(c1cccc(O)c1)S(=O)(=O)c1cccc(-c2cccc(O)c2)c1 96285190 ROQZUUAYDVZNHP-UHFFFAOYSA-N 355.415 3.590 0 1 FHAF O=c1cc(-c2ccc(Cl)cc2)oc2ccc(CN3CCOCC3)cc12 103217751 KFZIWAMVDFITNS-UHFFFAOYSA-N 355.821 3.946 0 1 FHAF COc1ccc(/C=C\OC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 238738604 FFJRMUMVFUHXCF-GRHXWORQSA-N 370.401 3.948 0 1 FHAF COc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2O)c(OC)c1 299837278 JTGNQQWNNASRBQ-KRWDZBQOSA-N 365.838 3.841 0 1 FHAF CS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 586925050 FBYWFRRPEICBKU-UHFFFAOYSA-N 358.316 3.791 0 1 FHAF Brc1ccc(NCCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 586996048 OBZDEHFUXYYOET-UHFFFAOYSA-N 356.227 3.856 0 1 FHAF COC(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586996278 UHZCPIRTPSGRIP-UHFFFAOYSA-N 374.238 3.767 0 1 FHAF Fc1cnc(Br)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc12 587084429 MIOLJFYGJCDIRE-UHFFFAOYSA-N 367.609 3.988 0 1 FHAF O=S(=O)(O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587085927 OTXUMFUIHHMCMS-UHFFFAOYSA-N 359.794 3.678 0 1 FHAF O=C(O)c1cc(Br)cc2nc(C(F)(F)c3ccccn3)[nH]c12 587089102 IYXGKRSUPJJNNV-UHFFFAOYSA-N 368.137 3.559 0 1 FHAF Fc1cccc(Cn2nnc(-c3nc4cncc(Cl)c4[nH]3)c2Cl)c1 587161601 OSDKPKJFOVZARY-UHFFFAOYSA-N 363.183 3.711 0 1 FHAF COC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346981 CZUTVTFGCUKRLS-ICSRJNTNSA-N 358.365 3.602 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(-c4cccnc4)ncc31)O2 587396302 YQDRQXMGILPURZ-QFIPXVFZSA-N 372.428 3.626 0 1 FHAF COc1cc2c3c(c1)O[C@@](C)([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587437813 LMFNRBRIXGTZRM-CMPZQBNXSA-N 373.449 3.601 0 1 FHAF COc1cc2c3c(c1)O[C@@]1(C[C@H](C)CN(Cc4ccccc4)C1)[C@@H](C2)C3=O 587438559 QFUXIAYWRHNOAY-IGCHPXFFSA-N 363.457 3.723 0 1 FHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2c(Cl)cccc21 587460232 GWBIRZSVCMORPN-HXUWFJFHSA-N 371.820 3.835 0 1 FHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(cc1N)OCO3)CC2=O 587473093 PTNPAIFTQOZRQF-HXUWFJFHSA-N 355.390 3.536 0 1 FHAF CCCc1c(O)ccc2c1O[C@H](c1nc(C(=O)OCC)cs1)CC2=O 587493341 GCOYKENRYORUHJ-HNNXBMFYSA-N 361.419 3.684 0 1 FHAF O=C1C[C@]2(CC=Cn3c2nc(Cl)cc3=O)Oc2c1ccc1c2CCCC1 587500371 OHKDDSKJFIXAED-FQEVSTJZSA-N 368.820 3.511 0 1 FHAF CN1[C@H]2CCC[C@@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592043 HFISLEQMTXDECI-FKEBMKQQSA-N 365.429 3.739 0 1 FHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2[nH]ncc12 587597760 WANBSCDHUXJAFZ-WIYYLYMNSA-N 358.353 3.971 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(CC3CC3)CC2)N1 587768729 MIZDTJYYZISUPQ-GFCCVEGCSA-N 367.306 3.824 0 1 FHAF O=C1CCc2cc3nc(COC45CC6CC(CC(C6)C4)C5)[nH]c3cc2N1 587949856 DHQTWHFFVXZVJO-UHFFFAOYSA-N 351.450 3.933 0 1 FHAF COC(=O)c1cc2nc(-c3ccc(OC4CCC4)cc3)[nH]c2cc1OC 587951835 TWWDDSMSMSEQJN-UHFFFAOYSA-N 352.390 3.956 0 1 FHAF CC(C)c1nn(C)c2c1[C@](C)([C@H]1CC=C(Br)CC1)NCC2 962923488 ZFDGCQGCUYZPQO-SJCJKPOMSA-N 352.320 3.983 0 1 FHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(=O)OC)c(OC)c2)N1 962940932 DGZUTBFOKGLIHF-JLTOFOAXSA-N 364.445 3.977 0 1 FHAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCc1cn(C)c2ccccc12 2356762841 XMAZFILPXNXLMX-FPOVZHCZSA-N 367.537 3.834 0 1 FHAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC[C@@H](O)CC 775637 SJZXLFCAYYGAOR-ZDUSSCGKSA-N 360.454 3.539 0 1 FHAF CN1CC[C@@H](c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)C1 3976201 GYFABGMYDPKBEU-CQSZACIVSA-N 374.893 3.951 0 1 FHAF Fc1ccc(CN2C[C@@H]3N[C@@H](C2)C3c2ccc(Br)cc2)cc1 100087872 VDFDMHVAVYFOKJ-IRXDYDNUSA-N 361.258 3.528 0 1 FHAF COc1ccc2c(ccn2CCCCCOC(=O)c2ccc[n+](C)c2)c1 27079932 MZYVCFNEMXQDPC-UHFFFAOYSA-N 353.442 3.502 0 1 FHAF CC1=C(C=C[C@@]23NC(=O)CN2c2ccccc2C3(C)C)C=C2C=CC=C[C@@H]2O1 2356525108 JXSGLNRZTNLMMK-XUZZJYLKSA-N 372.468 3.892 0 1 FHAF COC(=O)[C@@]12CCC[C@@]3(CO[C@@H]1OC)[C@@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@@H]23 2356649587 QWJSPZRTYDZCNG-IIISLQKISA-N 374.477 3.914 0 1 FHAF CCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2c1 28459053 YFRRRINCSDAZIR-UHFFFAOYSA-N 355.390 3.823 0 1 FHAF C[C@@H](CO)[C@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 28476520 GBDKABQMLPYTIM-MGPLVRAMSA-N 360.809 3.762 0 1 FHAF CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CCC2CCCC2)CC1 61924314 RBVAOPIQLQSVQA-QFBILLFUSA-N 351.604 3.884 0 3 FHAF COc1ccc2[nH]c(C)c/c(=N/c3ccc(C4=NNC(=O)C[C@H]4C)cc3)c2c1 29061667 VOPBUNPBZSREFQ-CYBMUJFWSA-N 374.444 3.577 0 1 FHAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(C)cc(C)c32)c1 40918414 DNZVTWQDHMXNKZ-IBGZPJMESA-N 351.402 3.689 0 1 FHAF O=C1NCCc2[nH]c(-c3cccc4cnc(Nc5ccccc5)nc34)cc21 222356623 REOXYDROSGGGDW-UHFFFAOYSA-N 355.401 3.654 0 1 FHAF CCCCSc1nc(N)c2ncn(Cc3c(F)ccc(C)c3F)c2n1 40407763 MGZYECCDJBJINR-UHFFFAOYSA-N 363.437 3.936 0 1 FHAF COc1ccc2c(c1N)OCCC=C2c1cc(OC)c(OC)c(OC)c1 95590073 PJOMMCGJYUBGTB-UHFFFAOYSA-N 357.406 3.517 0 1 FHAF N[C@@H]1CCC[C@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)C1 95556837 JOMIQNQAGMOXQZ-NEPJUHHUSA-N 374.851 3.947 0 1 FHAF Cc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1C 587590092 XRANRXMYOAUGNM-UWJYYQICSA-N 362.385 3.810 0 1 FHAF CC[C@]1(c2ccc(C(=O)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445104 WSNAWIRGLTYVEU-IIBYNOLFSA-N 352.386 3.535 0 1 FHAF CCOC(=O)C1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587794808 GRYQEVWVCAVSSE-QFYYESIMSA-N 370.262 3.681 0 1 FHAF C[C@@H]1CN(C2CC2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350446 ZJKJUGDWGCWFDC-IIYZAJTGSA-N 367.420 3.743 0 1 FHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(C)CCN(C(=O)OC(C)(C)C)CC1)O2 587397208 YAZCKPUWWUQYGC-QGZVFWFLSA-N 374.481 3.948 0 1 FHAF N[C@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 586996247 CKRFEXVPUPRXFZ-SNVBAGLBSA-N 370.172 3.985 0 1 FHAF CSc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587009286 YYUAOMWVXMHARJ-UHFFFAOYSA-N 360.240 3.757 0 1 FHAF CCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399110 HXCYVGGSDXNWNP-OAQYLSRUSA-N 369.417 3.701 0 1 FHAF CCOc1cc(C=O)c(OCC)n1-c1cccc(C2=NC(C)(C)CO2)c1 587934204 DLDDLJGOXACXHK-UHFFFAOYSA-N 356.422 3.643 0 1 FHAF Cc1nc(N(C)C)ncc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587194494 GZAUHOIUCWJLFO-UHFFFAOYSA-N 359.433 3.973 0 1 FHAF CCOC(=O)C[C@@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587536382 VPOWGTKLEVCSNU-HXUWFJFHSA-N 371.458 3.836 0 1 FHAF COc1cc(Cl)ccc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587066793 RVRBWTKNZICWJL-UHFFFAOYSA-N 368.824 3.647 0 1 FHAF CCCCS(=O)(=O)N[C@@H](c1nc2cnc3ccccc3c2[nH]1)C(C)C 586932492 GEHILDUYPNQCCY-MRXNPFEDSA-N 360.483 3.528 0 1 FHAF Cc1c(F)ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586920223 GCBPUDNCGWVQCV-UHFFFAOYSA-N 358.438 3.516 0 1 FHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cccs2)N1 587845709 FMXXTNHNLXNKON-GLEZIHRCSA-N 370.243 3.512 0 1 FHAF Nc1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577302 JZXXQUDGUXLZOQ-DENIHFKCSA-N 359.381 3.778 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN[C@@H]3CCCC[C@@H]32)N1 587792821 MWZKCOHVYJQZIK-VPSJLMRDSA-N 367.306 3.870 0 1 FHAF O=C1C[C@@H]2C[C@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350053 HGMVMHYNRFKRND-IZYCXCSKSA-N 352.361 3.628 0 1 FHAF COC(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811906 XVQVVKJBWHAPJM-QFYYESIMSA-N 358.251 3.537 0 1 FHAF N[C@@H](Cc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1)N=O 958524359 PGCBTPKAXJQZFR-CQSZACIVSA-N 359.735 3.927 0 1 FHAF Cc1ccccc1C[C@@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974656 KXXHUEZEMBYXCX-DNVCBOLYSA-N 365.807 3.983 0 1 FHAF Cc1nsc(N)c1[C@@]1(C)c2ccsc2CCN1Cc1cccn1C 962376255 VEVJAJMDXZUXHE-GOSISDBHSA-N 358.536 3.756 0 1 FHAF O=C1C[C@@H](c2ccccc2O)Oc2ccc(I)cc21 1857654343 GJFPUGMZRCQXTK-HNNXBMFYSA-N 366.154 3.703 0 1 FHAF COc1ccc(Cl)cc1-c1cncc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772582991 VVWQAQRYBOOMPY-HNNXBMFYSA-N 373.796 3.709 0 1 FHAF OCC1(CCc2ccccc2)CCN(Cc2ccc3nsnc3c2)CC1 12706209 AAPWYRYSSYTARU-UHFFFAOYSA-N 367.518 3.899 0 3 FHAF CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1cnc2c(c1)CCCN2 13517943 YWRXDGYUFPGSDH-MDZDMXLPSA-N 360.461 3.603 0 1 FHAF Cc1ccsc1CN(C)C(=O)CCc1nnc(COc2ccccc2)o1 13594475 HXLBLLDFJFQAFT-UHFFFAOYSA-N 371.462 3.610 0 3 FHAF Oc1ccc2c(c1)O[C@H](CNCCCOc1ccc3cccnc3c1)CC2 13775920 CPMKULWZFNXOBS-FQEVSTJZSA-N 364.445 3.693 0 1 FHAF O=C(O)[C@@H]1C[C@H](C2=CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 13914949 HHTLVPAQTPCANE-WMZOPIPTSA-N 368.820 3.666 0 1 FHAF O=C(NCC1CCCC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 165779048 UPRIIMDETMWYKF-UHFFFAOYSA-N 364.449 3.549 0 1 FHAF C[C@H](Cn1cc[nH]c1=O)c1ccc(OC(F)F)c(OC2CCCC2)c1 13438853 LKQUOZFEPAVUHC-GFCCVEGCSA-N 352.381 3.903 0 1 FHAF Cc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)[C@@H]2N3C)c1 13470188 PQDJUEVCRHUXJT-CTNGQTDRSA-N 351.450 3.975 0 1 FHAF COc1c2c(c3ccoc3c1OC)O[C@@H](c1ccccc1)[C@H](OC)C2=O 13480686 RQFGLCAICBCPKW-HNAYVOBHSA-N 354.358 3.781 0 1 FHAF biogenic C[C@H](CN1CCOCC1)n1cc(C(=O)c2ccccc2F)c2ccccc21 13820962 YXWSEKFRRDMPBM-MRXNPFEDSA-N 366.436 3.905 0 1 FHAF COC(=O)[C@@H]1Cc2c3n(c4ccccc24)C(=O)CC[C@@H]3N1Cc1ccccc1 27638191 HIZDIZAXVJCWFM-PMACEKPBSA-N 374.440 3.716 0 1 FHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(O)c3)cc2)C[C@@H]2CC[C@H]1N2C 29474726 TTXGYEDMFZIQNY-KCLUMXDGSA-N 351.446 3.799 0 1 FHAF NC(=O)C[S@](=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 35876593 JBKSEOCGJGAYMB-QFIPXVFZSA-N 358.246 3.520 0 1 FHAF COc1cc2c(cc1[C@@H]1COc3cc(O)cc(O)c3C1=O)C=CC(C)(C)O2 49600266 WDJAZIFUJKIZSU-AWEZNQCLSA-N 368.385 3.650 0 1 FHAF biogenic COc1ccc(C(=O)c2c[nH]c3c(OC)c(OC)c(OC)cc23)cc1F 95592239 QRPYVVLCOAAAOR-UHFFFAOYSA-N 359.353 3.572 0 1 FHAF Nc1ccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)cc1 101074468 BRKZUOSZVVEDHT-UHFFFAOYSA-N 364.470 3.861 0 1 FHAF O=C(c1ccc(Oc2nccnc2-c2ccncc2)cc1)c1ccccn1 139308938 ZMXIEURKVKVTSL-UHFFFAOYSA-N 354.369 3.957 0 1 FHAF Cc1ccc(Cl)cc1-c1cc(-c2ncnc3[nH]ccc23)[nH]c1C(N)=O 143364986 LEVQVJSXOOHXKL-UHFFFAOYSA-N 351.797 3.681 0 1 FHAF C[C@H](O)c1cc(-c2cnn(C)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F 144905432 RCDOJXLKUQYEEJ-JEOXALJRSA-N 374.362 3.919 0 1 FHAF O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@@H]1CCc2ncsc21 220850457 RKEGYGDGAFBZHF-SECBINFHSA-N 360.332 3.527 0 1 FHAF O=C(O)c1ccccc1/C=C\c1nc2c(F)cnc(Br)c2[nH]1 586880397 PZJOKJUAAXTJOS-WAYWQWQTSA-N 362.158 3.728 0 1 FHAF O=S(=O)(/C=C\c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1 586924086 GSDVPCUBSKOEKE-SREVYHEPSA-N 354.765 3.939 0 1 FHAF O=S(=O)(O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023095 DQBOVKFNHHBLEC-UHFFFAOYSA-N 357.416 3.600 0 1 FHAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1 587026664 GSKMYNRSEORTPF-UHFFFAOYSA-N 366.446 3.880 0 1 FHAF COC(=O)c1ccnc2[nH]c(-c3cc(F)c(C)cc3Br)nc12 587137550 BFSICTIGOHZICS-UHFFFAOYSA-N 364.174 3.622 0 1 FHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)C1CC1 587401010 UWAMOJKQYGHHFI-SFHVURJKSA-N 367.401 3.608 0 1 FHAF COc1cc2c3c(c1)O[C@@H](c1nc(C(F)(F)F)c(C)s1)[C@@H](C2)C3=O 587419297 BTDSEFCVQIVIEE-TVQRCGJNSA-N 355.337 3.968 0 1 FHAF CC(C)=CCOc1ccc(Cc2cc3c(O)nc(O)nc3nc2C)cc1 587559253 HDCDGBSDEDPHPT-UHFFFAOYSA-N 351.406 3.680 0 1 FHAF CCc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1CC 587580067 GXNVRYQYZVHZQU-RXVVDRJESA-N 364.401 3.874 0 1 FHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]2OC1CCC1 587601552 SXQSZVVJPDFAKH-WFXMLNOXSA-N 352.386 3.824 0 1 FHAF O=Cc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587606772 GCVCAIHCBHJWQV-NQIIRXRSSA-N 362.337 3.613 0 1 FHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C3CC3)[nH]n2)N1 587799071 WBILACLHORFWCE-VPTHRUTESA-N 350.235 3.812 0 1 FHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1CCOCC1 587862481 PHUHZNHTGVEIMY-UHFFFAOYSA-N 354.328 3.644 0 1 FHAF Cc1cc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)nn1-c1ccccc1 653737530 AKQFEBKWUSUUOW-HNNXBMFYSA-N 364.401 3.710 0 1 FHAF Cc1cc2c(cc1F)[C@@]1(C=CN(CC(=O)O)c3cc(Cl)ccc31)NCC2 962369769 AWDUDCTVSNXMLU-FQEVSTJZSA-N 372.827 3.595 0 1 FHAF COc1ccc2c(c1)OC=C[C@]21NCCc2cnc3c(OC)cccc3c21 963049139 VEFAWMAEFZXKNJ-QFIPXVFZSA-N 360.413 3.547 0 1 FHAF Cc1cc(C)cc([C@@]2(c3cccnc3)NCCc3c(C(=O)O)cccc32)c1 963125022 RQZDCHGCLXSFAV-HSZRJFAPSA-N 358.441 3.834 0 1 FHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cccnc1-c1ccco1 963609741 OEWRMBOZZLYULB-ASSNKEHSSA-N 350.418 3.982 0 1 FHAF CCC(CC)CN=c1c(C(N)=O)c(C)[nH]c2ccc(-c3cccnc3)cc12 1857611853 PKNRKGRBPOBPCN-UHFFFAOYSA-N 362.477 3.974 0 1 FHAF COc1cc2c(cc1OC)[C@H](c1cc3c(cc1O)OCO3)[C@@H](C)[C@@H](C)C2=O 2356496821 PAYPMQRYGQALTD-GLXKHTEVSA-N 370.401 3.739 0 1 FHAF COc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)cc1 12057111 ZWHAJUNFRJOXEW-OAQYLSRUSA-N 361.432 3.791 0 3 FHAF