smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(NC(=O)Nc2ccc(-c3ccc(N)c4c3CNC4=O)cc2)c1 14945236 YVWSSWXGYNAMIC-UHFFFAOYSA-N 372.428 4.132 0 1 FIAF Cc1nc2c(OCc3ccccc3)cccn2c1COC(=O)C(C)(C)C 27998248 KBPAADVMXQRAIK-UHFFFAOYSA-N 352.434 4.311 0 1 FIAF CC(C)Oc1ccc(C(=O)N(Cc2ccccc2Cl)[C@@H]2CCNC2)cc1 28823628 PXWUXUQDTWMHMK-GOSISDBHSA-N 372.896 4.132 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2CC(CCCCC(=O)O)=C[C@@H]2C[C@H]1O 33953869 JANVYOZZTKSZGN-AVAIWUHWSA-N 350.499 4.072 0 1 FIAF c1nc(NCc2ccoc2)c2cc(-c3ccc4c(c3)OCCO4)ccc2n1 45244994 WSURVZATPTZXRM-UHFFFAOYSA-N 359.385 4.273 0 1 FIAF CCCC[C@@H](CC)CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N 45322122 RUHXAUMJJVZGAI-GOSISDBHSA-N 363.505 4.304 0 1 FIAF O[C@H](CNCc1ccc(Cl)cc1)Cn1c2c(c3ccccc31)CCCC2 73139680 VIBCOACRFMCIBO-GOSISDBHSA-N 368.908 4.324 0 1 FIAF COC[C@@H]1Cc2c(n(Cc3ccccc3)c3ccccc23)[C@H]2CCCC(=O)N12 73274003 OBHFTCLIRLAKKN-PGRDOPGGSA-N 374.484 4.314 0 1 FIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@H]2C)OCO4)c1 105518606 NRMLCSNFBPYZRW-GAQQMNMRSA-N 367.445 4.006 0 1 FIAF CC(C)Oc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114335979 HIYQICVQFRZMAK-HXUWFJFHSA-N 364.493 4.427 0 1 FIAF COc1ccccc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)C)C[C@H]2C 169702345 PCZGNVHCWFIODB-CYBMUJFWSA-N 363.465 4.412 0 1 FIAF CC(=O)O[C@@H]1C/C=C(\C)C[C@H](O)[C@H]2[C@H](C(C)(C)O)CC[C@]2(C)/C=C/[C@H]1C 238750334 LDLGSJAYMQJUJA-RYSUCXQGSA-N 364.526 4.015 0 1 FIAF CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255198022 BEDVMNFREUAOFL-GYZPGWJCSA-N 374.521 4.059 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@H]2C(C)(C)CCC[C@]21C 257442923 IEAUFJOLHRNYMW-JMJYCXOHSA-N 364.526 4.015 0 1 FIAF endogenous,in-man O=C(Nc1ccc(F)cc1)N1CCC[C@H]2Cc3cc4c(cc3[C@H]21)OCO4 299822464 ABNCXZLRMPDLES-BUXKBTBVSA-N 354.381 4.096 0 1 FIAF COP(=O)(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)OC 586994596 XYFFNRVOYFTVAP-UHFFFAOYSA-N 369.313 4.138 0 1 FIAF COc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1Cl 587081634 DMPOSEBQBFXVPD-UHFFFAOYSA-N 364.232 4.479 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccc(Cl)c(Cl)n3)nc1-2 587084705 RUJSKRACMFCRAZ-UHFFFAOYSA-N 368.533 4.346 0 1 FIAF Cc1cc(Br)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 587123435 JNMHSDWRACAWAK-UHFFFAOYSA-N 368.181 4.340 0 1 FIAF COc1c(F)ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1N 587133441 PYVUKTRPKLYWTA-UHFFFAOYSA-N 372.144 4.001 0 1 FIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)c(O)c2[nH]1 587149598 HTONRAXCSHQUGP-ZETCQYMHSA-N 369.165 4.449 0 1 FIAF Cc1c(Br)ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 587154753 GKVLRDDWJCERAY-PIGZYNQJSA-N 360.230 4.114 0 1 FIAF O=S(=O)(O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587165026 JMPWOGMCSJDVHZ-UHFFFAOYSA-N 374.418 4.344 0 1 FIAF COC(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587227217 WVMHWGAAXBZSGA-INIZCTEOSA-N 373.453 4.106 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1ccc(Cl)cc1)O2 587379090 SHGZJCOMJXDLCM-ZTBDEIDFSA-N 356.853 4.167 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccco3)n3ccccc13)O2 587393214 CUWUYLZCRFXIMH-GOSISDBHSA-N 359.385 4.191 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1sc3ccccc3c1C)O2 587413129 MMPLHCUBDOJPML-FQEVSTJZSA-N 367.426 4.046 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCNc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423551 VMSMICVLJPMIHY-YWZLYKJASA-N 355.821 4.197 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccccc1OC)(C(C)(C)C)[C@@H](C2)C3=O 587441203 FFWCHLJOXWWIQU-KSFYIVLOSA-N 352.430 4.393 0 1 FIAF CCOC(OCC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442850 YYXGIZKHCIFHHZ-DYESRHJHSA-N 368.429 4.256 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)cc(O)n3C)CC2=O 587474784 IHASUIIEFRMTBT-QFIPXVFZSA-N 365.429 4.423 0 1 FIAF C=C1C=C(C)n2ncc([C@H]3CC(=O)c4ccc(O)c(CCC)c4O3)c2N1 587480737 FFVLOBMRVYCLSU-GOSISDBHSA-N 351.406 4.048 0 1 FIAF C[C@]1(c2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598951 ZDJUVWFSZPOFMH-GCJKJVERSA-N 372.380 4.146 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC21CCOCC1 587609147 MGRKGVPUYDFTTF-PGRDOPGGSA-N 366.413 4.073 0 1 FIAF O=C(c1cccs1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658178 KLFXALFKOSHCGG-UHFFFAOYSA-N 368.364 4.092 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2F)N1 587721423 VHNMGZXFSJIQTH-BCTVWOGZSA-N 354.194 4.057 0 1 FIAF Cc1ccc2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 587775678 TVYDBRJKRNQRNG-BBATYDOGSA-N 374.257 4.168 0 1 FIAF CC(=O)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587822498 KYZWPMKQEDOMPA-SIMVJXQJSA-N 354.263 4.097 0 1 FIAF Cc1nc(-c2ccccc2)oc1COc1ccc2c(c1)OC[C@H]2CC(=O)O 653737653 OSVAIZDCQQQICT-OAHLLOKOSA-N 365.385 4.180 0 1 FIAF Cc1cc2c(cc1F)[C@]1(CCNc3c(Br)cccc31)NCC2 962302025 SQIAVFSNTZQIPA-GOSISDBHSA-N 361.258 4.102 0 1 FIAF CCN(CC)CCOc1ccccc1[C@@H]1NCCc2cc(C)c(F)cc21 962375439 NKDSJHBKCGMGCP-QFIPXVFZSA-N 356.485 4.090 0 1 FIAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1cc2ccncc2o1 962720529 UMYPPKLLIPFZEI-VLIAUNLRSA-N 354.450 4.420 0 1 FIAF CC(C)Oc1ccc(Cl)cc1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962930372 XUCDMICNOOORLA-FQEVSTJZSA-N 372.896 4.064 0 1 FIAF C[C@@H]1C[C@H]([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)CCO1 962949874 DAQDYRBUERZDIN-LBTNJELSSA-N 369.427 4.213 0 1 FIAF Cc1ccc2[nH]c3c(c2c1)CCC[C@]31NC[C@@H]2CC(=O)N(C)c3cccc1c32 963031623 RESJYJDLPCNRSM-IZHWHUGBSA-N 371.484 4.110 0 1 FIAF CN1CCc2c(Br)cccc2[C@]12CCc1ccc3c(c12)CCO3 963282833 YLRKVOQXHNYVKU-FQEVSTJZSA-N 370.290 4.062 0 1 FIAF OCCCC[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831473 GTCNIVAWCDAJNY-NRFANRHFSA-N 350.462 4.096 0 1 FIAF CCC[C@@H](C)COc1ccc([C@H](CO)NC(=O)CCc2ccccc2)cc1 1772593406 IZGLCNWFSYVAKH-GCJKJVERSA-N 369.505 4.284 0 1 FIAF COc1ccc(/C=C\c2ccc3c(c2)c(C=O)cn3C)c(OC)c1OC 1857650188 DVSZMUNSPJKORR-ALCCZGGFSA-N 351.402 4.187 0 1 FIAF CCC=CC[C@@H](O)C=CC=CCC=CCC=CC=C[C@@H](O)CCC(=O)O 2356340194 JKPUWSZSJINVLB-NHCUHLMSSA-N 360.494 4.491 0 1 FIAF CC=Cc1ccc(O[C@@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 2356424010 NUDWCJJMQATDKB-QKKBWIMNSA-N 358.434 4.246 0 1 FIAF CCCCC[C@H](O)C=CC=CCC=CCC=CCCCC(=O)NCCO 2356603099 XZQKRCUYLKDPEK-NRFANRHFSA-N 363.542 4.211 0 1 FIAF CCC=CCC=CC[C@H](O)C=CC=CC=C[C@@H](O)CC=CCCC(=O)O 2356635702 HLHYXXBCQOUTGK-LEWJYISDSA-N 360.494 4.491 0 1 FIAF Cc1cccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1 8608541 LAAGJVNSEZGLBG-UHFFFAOYSA-N 368.458 4.006 0 3 FIAF CSc1c(Cc2c(O)noc2C2CCNCC2)ccc2ccccc12 13607815 UNAIRJLGNKRPJM-UHFFFAOYSA-N 354.475 4.313 0 1 FIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)NCC2 13761434 URYRUDNJLKRQKI-IBGZPJMESA-N 350.506 4.258 0 1 FIAF O=CN1[C@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 13776246 CQSPEDPZNBMSKV-YOFSQIOKSA-N 357.400 4.223 0 1 FIAF Cc1ccc2c(c1)c([S@@](=O)c1ccc(Cl)cc1)c(C)n2CC(=O)O 13975475 DNEDPPSLQNDMAL-XMMPIXPASA-N 361.850 4.163 0 1 FIAF O[C@H]1c2cccc3cccc(c23)C1(Cc1ccccn1)Cc1ccccn1 27981958 YWOOQGDIOHNPJQ-QHCPKHFHSA-N 352.437 4.400 0 1 FIAF COc1ccc2c(c1)c(/C=C1/[C@H](O)C3CCN1CC3)cn2Cc1ccccc1 28826471 VPGZQOPPHLVIIV-XKKBFUJGSA-N 374.484 4.126 0 1 FIAF C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)NCC(=O)O 28878847 FNXXBDQTIZRBKV-JYJRELQESA-N 372.303 4.185 0 1 FIAF COc1cc(Sc2ccc3c(N)c(OC)ccc3n2)cc(OC)c1OC 73224949 YUBJMFKNJPPSMX-UHFFFAOYSA-N 372.446 4.003 0 1 FIAF CCCCCNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCOC 82186244 SBSDQLAWKCSAES-UHFFFAOYSA-N 373.888 4.395 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](Br)C2=O 141823705 WSFGMEHHPWEPNC-NBBHSKLNSA-N 365.311 4.461 0 1 FIAF Clc1ccc(C2(c3nc4nc(Br)c[nH]c-4n3)CCC2)cc1 587077372 SHGNNRPFIQKDRR-UHFFFAOYSA-N 363.646 4.190 0 1 FIAF C[C@@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)C=C(c2ccccc2F)NO1 587154393 FAKKOUMBNDSRQV-INIZCTEOSA-N 365.195 4.195 0 1 FIAF Cc1cc(F)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c1 587168685 LVVIKCVHRXLHRL-UHFFFAOYSA-N 351.360 4.275 0 1 FIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(CO)cc2[nH]1 587191037 KKUZNYJSYFTAIZ-GOSISDBHSA-N 367.449 4.012 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(c3ccccc3Cl)CCOCC1)O2 587376413 CFIZFKAUPWIXPM-IBGZPJMESA-N 371.864 4.313 0 1 FIAF CCOc1cc2c(c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@H](C)C2 587411869 LGBHRETYCZWMLN-BLVKFPJESA-N 353.418 4.006 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4cccc(F)c4)s1)[C@@H](C2)C3=O 587427093 GUADNOSIQXMQIT-IFXJQAMLSA-N 367.401 4.447 0 1 FIAF COc1cc2c3c(c1)O[C@H](C[C@H](C)c1cn(C)c4ccccc14)[C@@H](C2)C3=O 587431228 NBLXLWYYLMKVRB-WSXQUGQNSA-N 361.441 4.497 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1-c1ccccc1)CC2=O 587474704 HAFXWRATXUFJFM-FQEVSTJZSA-N 362.429 4.452 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3oc(=O)ccc3c1)CC2=O 587481135 ADFFFIFJXMOUAK-LJQANCHMSA-N 350.370 4.158 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)O)c3ccccc31)CC2=O 587490042 QCYMATCNNNMYDO-PEBXRYMYSA-N 366.413 4.167 0 1 FIAF Cc1cnc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587588852 MDDTXHDLUJJBBL-NQIIRXRSSA-N 372.380 4.280 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccn2)N1 587700111 LRLFHLBTYYTWDO-GLEZIHRCSA-N 355.638 4.260 0 1 FIAF Cc1cc(N)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587748486 XICXFXRLGGGUTH-ZMZPIMSZSA-N 363.274 4.277 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN2CCCCC2)N1 587766001 LUJQYHHEEOUNAK-FZKQIMNGSA-N 369.322 4.214 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(C2CC2)N1 587776051 VVKKVPWBLLLZMT-VOJFVSQTSA-N 361.258 4.171 0 1 FIAF COCC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790299 FSKBBAHMAFBVOG-APPDUMDISA-N 358.295 4.400 0 1 FIAF CCCc1cccc2c(-c3cnc(-c4ccnc(C(=O)O)c4)s3)n[nH]c12 653782616 WFWQWEXBORPMHP-UHFFFAOYSA-N 364.430 4.399 0 1 FIAF CCCOc1cc(O)c2c(c1)/C=C/CCC[C@@H](O)CCC[C@H](C)OC2=O 653822847 VAKPJPSYYNEHCE-SKLZBEMCSA-N 362.466 4.455 0 1 FIAF CCCCc1ncc([C@H]2c3ccsc3CCN2Cc2cccn2C)[nH]1 962372959 KNEABEHHFLOYBF-HXUWFJFHSA-N 354.523 4.300 0 1 FIAF Cc1ccc(SC[C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963018882 FHSWBKQWRVQMBD-YCRPNKLZSA-N 352.503 4.056 0 1 FIAF COc1cccc2cc3c(nc12)[C@H](c1ccc([C@@H]2CCCCO2)o1)NCC3 963056892 NIRZRDPTBQISAB-AOMKIAJQSA-N 364.445 4.313 0 1 FIAF O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2ccsc2)cc1 1772652598 ZTVXREMRPHSYHS-UHFFFAOYSA-N 365.454 4.393 0 1 FIAF COc1cccc(Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1 1857548991 LUBZURFFQSNKFL-UHFFFAOYSA-N 368.440 4.491 0 1 FIAF CCC[C@H](C)C(=O)Nc1nc2ccc(C)cn2c1C(=O)NC1CCCCC1 1857614549 IWRYSJQFPOUUAA-HNNXBMFYSA-N 370.497 4.080 0 1 FIAF CCC=CCC=CC[C@H](O)[C@@H](O)C=CC=CC=CCC=CCCC(=O)O 2356339879 ALWYOLKNLLFCAY-SFTDATJTSA-N 360.494 4.491 0 1 FIAF CCCCCn1c2ccccc2c2c(OC[C@H](O)CN(C)C)cccc21 2382252376 WTROEZMLKOGKEE-QGZVFWFLSA-N 354.494 4.286 0 1 FIAF COc1cccc(CN2CC[C@@](C)(Oc3cccc(Cl)c3)C2)c1OC 61904533 AMWICKZQVIOVFN-HXUWFJFHSA-N 361.869 4.401 0 3 FIAF CC(C)COC(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccccc2)no1 61907520 KFORWYBSYJVUMW-KRWDZBQOSA-N 371.437 4.247 0 3 FIAF CCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccccc1 61923811 ROECTXSVAJVSEX-YPAWHYETSA-N 368.525 4.085 0 3 FIAF COc1cc(C)c2c(c1C)OC(=O)c1c(C)c(Cl)c(O)c(C=O)c1O2 1629865 LVGKNESDSKGROR-UHFFFAOYSA-N 362.765 4.117 0 1 FIAF biogenic Nc1nc(NCC2CCCCC2)c2c(n1)NC[C@@H](c1ccc(Cl)cc1)N2 13474494 RQCRZQBYIWDMKJ-HNNXBMFYSA-N 372.904 4.283 0 1 FIAF Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n1C 28954340 QOBMEDPRCARPJS-QNGOZBTKSA-N 356.413 4.452 0 1 FIAF COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4ccncc4)cc3)c2c1 29040648 XOOCRNKBNCGFRN-UHFFFAOYSA-N 371.440 4.211 0 1 FIAF CNC(=O)c1ccc2nc(-c3ccc(Oc4ccc(OC)cc4)cc3)[nH]c2c1 34056139 CZANOMAFBFTCEG-UHFFFAOYSA-N 373.412 4.390 0 1 FIAF C[C@H](SC1=NS(=O)(=O)c2cc(Cl)ccc2N1)c1ccccc1 71330134 VOAGEJFKUAJMTE-JTQLQIEISA-N 352.868 4.305 0 1 FIAF CC[C@H](C)OC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl 103272168 FQEQPLVVGYTYIM-NSHDSACASA-N 361.825 4.039 0 1 FIAF C[C@H](Sc1nnc2c(n1)[C@@]1(C)CC[C@@H]2C1(C)C)C(=O)Nc1ccccc1 136306011 UYHGCPBBCRVDCH-TVSHIAKJSA-N 368.506 4.166 0 1 FIAF CCO[C@H]1C[C@@H](c2coc3ccc(F)cc3c2=O)N(c2ccccc2)O1 169327139 XBSVRSSGSXBCHW-PKOBYXMFSA-N 355.365 4.178 0 1 FIAF C[C@@H](NC(=O)Nc1cc2n[nH]c(C3CCC3)c2cn1)c1ccc(F)cc1 219744996 HEGJBBTZUINYMG-LLVKDONJSA-N 353.401 4.247 0 1 FIAF COc1ccc(-c2cnc3snc(NC(=O)C4CCC4)c3c2)cc1OC 299823160 SNYKSBRDMYVTLH-UHFFFAOYSA-N 369.446 4.114 0 1 FIAF COc1ccc(-c2nc(NC(=O)c3ccccc3)n(-c3ccccc3)n2)cc1 299841467 ZYLUZUXPUFXKNB-UHFFFAOYSA-N 370.412 4.195 0 1 FIAF CCCCCOc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br 586912060 PMFCHFDZQRNIEN-NSHDSACASA-N 353.260 4.398 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4cc(F)cc(F)c4[nH]3)n2C)cc1 586965853 SHZXWOQPVGDHGB-UHFFFAOYSA-N 371.416 4.237 0 1 FIAF COc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1C 587014118 LFEULLCMUSVUAN-UHFFFAOYSA-N 374.466 4.028 0 1 FIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(F)c(F)c(F)c2[nH]1 587108615 FYMOAEXSHXFDQF-UHFFFAOYSA-N 360.213 4.364 0 1 FIAF Fc1cccc([C@H]2C[C@@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1 587161878 SFQBSWJNWFDUKG-ZJUUUORDSA-N 350.166 4.270 0 1 FIAF CC(C)[C@@H](c1nc2ccc(CO)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198015 RMZQFQGPAIZABS-IBGZPJMESA-N 367.449 4.021 0 1 FIAF C[C@H]1CC2(Cc3c1nc1cccc4c1c3-c1ccccc1C4=O)OCCO2 587209700 SDEBRUPEXLATHG-ZDUSSCGKSA-N 357.409 4.239 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587235789 UHINMVKLYAFQLM-MWLCHTKSSA-N 368.840 4.301 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(Br)cccc31)O2 587372635 QEYRKSUQFXKCDO-GOSISDBHSA-N 358.235 4.147 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(OCc3ccccc3)CC1)O2 587402732 HGTDCZILLINTLA-UHFFFAOYSA-N 351.446 4.441 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1Br)[C@@H](C2)C3=O 587414136 SVRZIHOFLUQYNE-SCLBCKFNSA-N 359.219 4.121 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N3CCCCC3)nc1C)O2 587415166 XYSRNJBSCXFMSM-MRXNPFEDSA-N 357.479 4.039 0 1 FIAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC(C)C 587440750 QIJBLOXZZQIIEW-OPAMFIHVSA-N 368.429 4.370 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCC(C)C)(CC(=O)OCC)CC2=O 587482423 NWNZGKWPDCREGZ-OAQYLSRUSA-N 362.466 4.438 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)ccc1F 587568447 LXEYCEPSWKUYNP-BEFAXECRSA-N 371.751 4.283 0 1 FIAF Cc1cc(N)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587747906 SRTFOLHIZCQXCB-ZMZPIMSZSA-N 363.274 4.277 0 1 FIAF COc1cc(-c2nc3cc(C)cc(Br)c3[nH]2)cc(OC)c1O 587787364 UXHIVSDPVLTAFR-UHFFFAOYSA-N 363.211 4.024 0 1 FIAF CC(=O)C[C@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587814960 JIXHLFDLGVICBZ-BMLIUANNSA-N 354.263 4.097 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 587950915 OUQXLPLOXLUCSG-UHFFFAOYSA-N 374.868 4.488 0 1 FIAF CCc1ccc(C(=O)CCc2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1 587956079 SCWSNBKFRYNXJA-UHFFFAOYSA-N 370.836 4.381 0 1 FIAF COc1cc2c(cc1OC)[C@]1(CCC[C@H]([C@@H]3CCOC3)C1)N(C)[C@@H](C)C2 962623428 IKFBJWMOWUYYBF-NRVIRDBHSA-N 359.510 4.002 0 1 FIAF CC(=O)[C@@H]1CCC(C)=C[C@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962703235 HZZZAMDZJVTYNK-PLMTUMEDSA-N 359.510 4.330 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2nc3cc(F)c(F)cc3[nH]2)N1 962947476 NNABZEFLXGVANP-GIGQVBGESA-N 352.388 4.336 0 1 FIAF CCCOc1ccc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1CO 963096381 NFIRHOAGDKGTCP-UGKGYDQZSA-N 355.453 4.217 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(Br)c(F)c1 963259938 VFFNRMXFSVQEHS-INIZCTEOSA-N 370.649 4.485 0 1 FIAF O=C(C1=Cc2ccccc2OC1)N1CCC[C@H]1c1ncc(-c2ccccc2)[nH]1 1772582879 TYTPXYLGTRLHNI-FQEVSTJZSA-N 371.440 4.216 0 1 FIAF COc1cc(C(=O)N2c3ccccc3NC(=O)[C@H]2C)cc(-c2ccccc2)c1 1772605923 IEXTVTCVQOEYIG-OAHLLOKOSA-N 372.424 4.350 0 1 FIAF CC(=O)Oc1ccc2c(c1)O[C@H]1c3ccc4c(c3OC[C@@H]21)C=CC(C)(C)O4 2356422842 KNGZVZWMGYZZIN-UWJYYQICSA-N 364.397 4.406 0 1 FIAF Cc1ccc(C)n1CCCCCC(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 2356580421 QYFULPBHTJQLJX-SFTDATJTSA-N 359.558 4.046 0 1 FIAF Cc1ccc2[nH]c3nc(CCCn4ccnc4-c4ccccc4)nnc3c2c1 3965561 UNMQBJJHYLHFIT-UHFFFAOYSA-N 368.444 4.311 0 1 FIAF CCN(CC)C[C@H](C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 13446351 SVHPDAAYXWKFOA-QGZVFWFLSA-N 359.341 4.361 0 1 FIAF Cc1oc(-c2ccccc2)nc1COc1cccc([C@H](C)N(O)C(N)=O)c1 13604018 JBELFRAIHOKZHD-ZDUSSCGKSA-N 367.405 4.060 0 1 FIAF COc1cc(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)cc1)CC2=O 14819322 OWTSKJPRWFIYHU-GOSISDBHSA-N 354.402 4.322 0 1 FIAF biogenic C[C@@H]1c2cc(Cl)cc3c2N(CC3)c2ccccc2N1C(=O)CCN(C)C 28771237 WCZUHBIQBKBBDM-CQSZACIVSA-N 369.896 4.394 0 1 FIAF Cc1cccc(Nc2nc(-c3ccnc(N4CCN(C)CC4)c3)cs2)c1 72112559 VWYYYAYUCCKBCD-UHFFFAOYSA-N 365.506 4.009 0 1 FIAF CCC[C@@H]1CN(c2ccc(OC)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 72138500 KAMOTDUDGVKTOA-OXQOHEQNSA-N 366.461 4.103 0 1 FIAF COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@H](C)[C@H](C)C2=O 85930496 ZXAFNDDXODHVOJ-JGRMJRGVSA-N 356.418 4.018 0 1 FIAF biogenic CCOC(=O)[C@H]1C(C)=Nc2ccnn2[C@@H]1c1cccc(Cl)c1Cl 169720813 XHYVJINZHMDNGX-DZGCQCFKSA-N 352.221 4.065 0 1 FIAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1F 205441953 GGGZMRUTRIRCSV-UHFFFAOYSA-N 357.360 4.118 0 1 FIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Cl)ncc3[nH]2)cs1 587019111 GMQSYSHZMXBIHK-UHFFFAOYSA-N 365.846 4.006 0 1 FIAF Clc1ccc(-n2cc(-c3nc4ccc(Br)cc4[nH]3)nn2)cc1 587075830 LEWZFGKRVSFNFF-UHFFFAOYSA-N 374.629 4.227 0 1 FIAF CC(=O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587077606 XTWSFSYKSNSCGX-UHFFFAOYSA-N 366.808 4.254 0 1 FIAF CC(C)c1c(-c2ncnn2C)nc2cccc3c2c1-c1ccccc1C3=O 587103972 CTRRFDCYJKSUED-UHFFFAOYSA-N 354.413 4.365 0 1 FIAF C[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587157360 SUXVGRZLAQXDSG-MRXNPFEDSA-N 365.195 4.195 0 1 FIAF Fc1ccc(-n2nnc(-c3nc4cccc(Cl)c4[nH]3)c2C2CC2)cc1 587168709 MZWJHPGNEQOVBJ-UHFFFAOYSA-N 353.788 4.481 0 1 FIAF O=S(=O)(CC(F)F)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587210277 MMSDPUYDWMUOAQ-UHFFFAOYSA-N 359.397 4.039 0 1 FIAF C[C@]1(c2cscn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375862 VOJNKGRXIYKSSL-PKOBYXMFSA-N 355.390 4.262 0 1 FIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Br 587377328 MKMFJIYNWGLGEE-OAHLLOKOSA-N 362.223 4.055 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(Br)c1)[C@@H](C2)C3=O 587421722 AIJNSUSOEHDFCG-GTNSWQLSSA-N 363.182 4.086 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCOc4ccc(C(C)C)cc41)[C@@H](C2)C3=O 587454414 UEPOBGKNZLNEEP-HTAPYJJXSA-N 350.414 4.244 0 1 FIAF CC(C)(C)OC(=O)N1CC(C[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587516313 BTYRPYJAKNHWSS-INIZCTEOSA-N 371.477 4.156 0 1 FIAF C[C@]1(c2cccc3c[nH]nc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594061 KCARWGOQTQQFOV-XMSQKQJNSA-N 372.380 4.146 0 1 FIAF O=C(O)Cc1c(CCC(=O)c2ccc(Cl)cc2)[nH]c2cc(F)ccc12 587633076 QKTCMXLPNHIXIN-UHFFFAOYSA-N 359.784 4.403 0 1 FIAF CCCCn1ccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587758460 XOXZIDSBBFIDOH-ZBEGNZNMSA-N 366.278 4.208 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2cnn3C)N1 587760963 RKBVHYFIKIRYGH-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF COc1ccc(C[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587805074 DBESAZXOEOCTSJ-ZBEGNZNMSA-N 364.258 4.415 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(OC)n1 587859136 BWGWODSGUAHPAE-UHFFFAOYSA-N 365.220 4.043 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccco1 587865107 VAHREZLKKGFMQA-UHFFFAOYSA-N 350.296 4.249 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(F)cc1F 587868325 KIXXASWTWUCSFC-UHFFFAOYSA-N 355.266 4.240 0 1 FIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](CCC)C(C)C)[nH]c2c1 587955874 LPTURUJJAMMHTI-HNNXBMFYSA-N 351.516 4.181 0 1 FIAF Cc1c(F)ccc2c1[C@@](c1cccc(Cl)c1N)(C(F)(F)F)NCC2 962149477 WEHFPZYPWFZRLT-INIZCTEOSA-N 358.766 4.321 0 1 FIAF COc1ccc2c(c1OC)[C@]1(CC[C@@H]1OCc1ccccc1)N(C)[C@@H](C)C2 962626698 MYUUYJHCHJGABW-ITSWEJNFSA-N 367.489 4.155 0 1 FIAF C[C@]1(CC(=O)NC2CCCC2)c2ccsc2CCN1Cc1ccco1 962715587 XCPKATXHNFGZPI-FQEVSTJZSA-N 358.507 4.064 0 1 FIAF CCCCN1C(=O)[C@@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2ccccc21 963102590 FUBSEJQBHOLDFD-FDDCHVKYSA-N 364.464 4.237 0 1 FIAF CN1CCc2c(Br)cccc2[C@@H]1c1cncnc1C(C)(C)F 963290784 YLYUFCRQRNZPFZ-OAHLLOKOSA-N 364.262 4.021 0 1 FIAF CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1 13595411 JMKYGLITQYQCCJ-MRXNPFEDSA-N 373.547 4.015 0 3 FIAF CCc1nc2c(OCc3cccc(Cl)c3)cccn2c1N(C)C(C)=O 61906083 SBZSPPTXACTGKI-UHFFFAOYSA-N 357.841 4.112 0 3 FIAF COc1ccc([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1F 61930977 SBBLMHDYDKFWBF-MRXNPFEDSA-N 366.314 4.325 0 3 FIAF CCCc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 599225 RJWRGGHHOCHAMX-FQEVSTJZSA-N 360.457 4.137 0 1 FIAF CC(C)=CCc1ccc([C@@H]2C(=O)O[C@H](Cc3ccc(O)cc3)[C@@H]2C)cc1O 2356474129 DKONIHYALJLLSF-ITEAAPOESA-N 366.457 4.494 0 1 FIAF Cc1nc(C2CCN(Cc3ccccc3-c3ccc(C)o3)CC2)cc(=O)[nH]1 23541841 NEPGYJCAHXBYCU-UHFFFAOYSA-N 363.461 4.026 0 1 FIAF COc1ccc(C[C@@H]2NC[C@H](C)c3c2[nH]c2c(C)cccc32)cc1OC 26668135 NIZFCRSGGQJYMN-YOEHRIQHSA-N 350.462 4.484 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O[C@H](CC(C)=O)[C@H]3C(C)(C)CCC[C@]32C)O1 2356635791 LBNHFUDEOMZNBR-CBISJHAASA-N 366.498 4.025 0 1 FIAF C[C@@H](O)[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356639066 CPDJBCSZDAPYNC-VDAXQEHUSA-N 361.570 4.135 0 1 FIAF CC(=O)OC[C@@H]1CC[C@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CCc1ccoc1 2356657990 ANGIGDFEXLRLRW-UDDWMFPDSA-N 372.461 4.071 0 1 FIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1ccc[nH]1 40676711 XGBWNEKVHQUBJF-SUVAXSPTSA-N 368.521 4.335 0 1 FIAF CC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)C(=O)OCc1ccccc1 49114359 JFJYCQYCQYPTAV-NRFANRHFSA-N 371.864 4.007 0 1 FIAF O=C(O)CCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143487903 WHXFQKPSULBLRQ-SFHVURJKSA-N 366.335 4.099 0 1 FIAF COC(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525040 ONIJBJLDNNOLGI-JOCHJYFZSA-N 350.414 4.233 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccc(F)cc3)c1)CC2=O 587469606 BAKGJTQIQZSKLU-FQEVSTJZSA-N 366.392 4.376 0 1 FIAF CC(C)[C@@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587775815 AEKABDUDWUILHR-XIKOKIGWSA-N 363.274 4.417 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(C(=O)OC)cc1)CC2=O 587477146 FMNLQEPEIFGQHJ-INIZCTEOSA-N 368.429 4.098 0 1 FIAF CC[C@]1(c2cccc(O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587833256 MQJLLRFRKLZJKX-ADLMAVQZSA-N 364.258 4.482 0 1 FIAF CCC[C@]1(C2CCNCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793764 LBOHXMCAJPXBHB-KZULUSFZSA-N 369.322 4.117 0 1 FIAF CCOC[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587804663 DYAJFWAAAIZANL-BTJLNZGRSA-N 356.279 4.154 0 1 FIAF Cc1ccc2c3c(c4c(nc13)-c1cnn(C)c1CC4)-c1ccccc1C2=O 587097696 PEHFJUIDUFFPQW-UHFFFAOYSA-N 351.409 4.254 0 1 FIAF CC(C)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 587798389 VLEAHGGCZGHAAS-XXFAHNHDSA-N 353.235 4.323 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccnc(Cl)c2[nH]1 587168572 ZXJGCDPKFAAIQD-CYBMUJFWSA-N 359.792 4.119 0 1 FIAF CC(C)[C@H]1C[C@]2(CS1)NC1(CC1)Cc1ccc(Br)cc12 961615603 QJIJSBFIWSRGKA-NVXWUHKLSA-N 352.341 4.484 0 1 FIAF COc1ccc(C=O)c(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c1 1772585677 JLBUUIKZMMZUOV-SFHVURJKSA-N 367.426 4.238 0 1 FIAF COc1cccc2c1CCC[C@@H]2CCCN1CCN(c2ccccn2)CC1 13470656 KKPMYWNQZNRGIK-LJQANCHMSA-N 365.521 4.113 0 1 FIAF CC(C)=CCn1c2c(ccc1=O)[C@H](NCCc1ccc(F)c(F)c1)CCC2 13743309 WCDPVWJJZDTROK-HXUWFJFHSA-N 372.459 4.302 0 1 FIAF CC(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2cccc(F)c2)cc1 1857538864 UIVOVTRFCXPRMH-HXUWFJFHSA-N 351.425 4.144 0 1 FIAF Cn1cc([C@@H](CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21 1857623728 SJDGHXXYFFXVPE-NRFANRHFSA-N 354.457 4.229 0 1 FIAF CC1CCN(C(=O)c2ccc(CSc3nc4ccncc4[nH]3)cc2)CC1 4911831 XUYLMPNRVPBYMG-UHFFFAOYSA-N 366.490 4.122 0 1 FIAF CN(C)[C@H](COc1cnc(Cl)c(Br)c1)Cc1ccccc1 13819650 WBIGXDOCPRPHQY-ZDUSSCGKSA-N 369.690 4.049 0 1 FIAF CCc1nc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc2o1 28522430 IDDGXUKIFJAZBS-UHFFFAOYSA-N 366.465 4.174 0 1 FIAF CSc1sc(C(=N)N)cc1-c1nc(COc2ccccc2)cs1 28772096 WFUWFCPVIJPOGN-UHFFFAOYSA-N 361.517 4.457 0 1 FIAF CN(c1nc2ccccc2[nH]1)C1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 28957169 XHFWCKURIYYAHL-HKUYNNGSSA-N 364.537 4.456 0 1 FIAF Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccc(F)cc4)c3C2)nc1 35077857 DUPYPBQTFOKCSC-HNNXBMFYSA-N 363.440 4.055 0 1 FIAF C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc3c(cc2Cl)COC3)c1=O 43074826 ISTVOPWEEMUDPG-SECBINFHSA-N 366.248 4.295 0 1 FIAF COc1ccc(C[C@@H](C)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 45188774 CVGVOOORORQOOE-KZULUSFZSA-N 354.277 4.256 0 1 FIAF CC(C)(C)c1cccc(OC(=O)N2CCN(c3ncccc3Cl)CC2)c1 49089794 CAGGJQMNJSBPME-UHFFFAOYSA-N 373.884 4.354 0 1 FIAF Cc1cc(C(=O)NC2CC2)cc(-c2ccc(C(=O)NCC3CC3)cc2)c1C 71295859 XBSHECISXGLBJA-UHFFFAOYSA-N 362.473 4.002 0 1 FIAF CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1cccnc1)c1ccccc1 72179020 OSOCACJSXDIGCJ-HXUWFJFHSA-N 370.456 4.361 0 1 FIAF c1ccc(CNc2ncc(-c3ccc(CNC[C@H]4CCCO4)cc3)cn2)cc1 84672293 YNBZXAKROTXYTC-JOCHJYFZSA-N 374.488 4.024 0 1 FIAF O=C1NC[C@@H](c2ccc(-c3ccccc3)cc2)N1c1ccn2ccnc2c1 96168040 BUMRXYOROJIKJT-FQEVSTJZSA-N 354.413 4.272 0 1 FIAF CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cccc(C)n1 103277164 NEVZYBJAUMTWQW-UHFFFAOYSA-N 373.416 4.044 0 1 FIAF COc1cc(C(=O)CC(=O)c2ccccc2)c(OC)c2c1OC(C)(C)C=C2 103566850 KSNFJIUIVUPMCO-UHFFFAOYSA-N 366.413 4.344 0 1 FIAF biogenic,in-vitro CCCC[C@](C)(O)C1=CC[C@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@H]3C1 194988736 LJTJQLDGHOLLEZ-SBFWRKJZSA-N 369.549 4.471 0 1 FIAF COc1ccc(-c2n[nH]c3c2Cc2sc(-c4ccc(N)nc4)cc2-3)cc1 205811614 AHORVICCHQDIIL-UHFFFAOYSA-N 360.442 4.362 0 1 FIAF COc1cc(C(=O)NCC=C(C)C)nc2c(OCC=C(C)C)cccc12 299840994 XFONOLRYFQHWGB-UHFFFAOYSA-N 354.450 4.284 0 1 FIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587069295 IBZOUOWDXUJPKL-NSHDSACASA-N 369.774 4.400 0 1 FIAF CC(C)Oc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587075010 DCLBMDHEVZDQCC-UHFFFAOYSA-N 353.813 4.251 0 1 FIAF COc1ccc(Cc2nc3cc(F)cc(Br)c3[nH]2)c(F)c1 587148497 JCKQOSHGSODXML-UHFFFAOYSA-N 353.166 4.203 0 1 FIAF Fc1nc(Cl)ccc1-c1nc2ccc(I)cc2[nH]1 587177369 GGPPEWLWPQZFKG-UHFFFAOYSA-N 373.556 4.022 0 1 FIAF COc1ccccc1C[C@H]1CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587398247 DHSAUBOESSOSJO-ZHRRBRCNSA-N 351.446 4.333 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(-c3ccncc3)nc1C)O2 587412970 KTLIXSVQMHEPNW-INIZCTEOSA-N 351.431 4.111 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc4ccnc(Cl)c4c1)[C@@H](C2)C3=O 587423734 YYTOSZBMQQJGSY-HNAYVOBHSA-N 351.789 4.386 0 1 FIAF CCOC(=O)[C@H](c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523622 LFSDRPKXFORDIN-NHCUHLMSSA-N 364.441 4.246 0 1 FIAF Cn1cc(-c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cn1 587534456 BZEGTRSTLCNFLU-KRWDZBQOSA-N 365.458 4.129 0 1 FIAF COc1cccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601299 RXEYDLNZYRSMSM-NFBKMPQASA-N 374.392 4.204 0 1 FIAF Cc1nccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587802180 KPJNVQJSKOQWDG-LZVRBXCZSA-N 374.257 4.397 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCCC2=O)N1 587817728 ANYFQUQJBHXGRO-MOCULFSLSA-N 354.263 4.097 0 1 FIAF CCCC[C@@]1(CC(=O)OC)c2ccsc2CCN1Cc1cccn1C 962397754 LUWWUZAIJUZECH-HXUWFJFHSA-N 360.523 4.094 0 1 FIAF COc1cc2c(cc1OC)[C@@](C)(CC(=O)c1ccccc1F)N(C)[C@H](C)C2 962623621 KOOBCCNXQRZVEH-JLCFBVMHSA-N 371.452 4.208 0 1 FIAF COc1cc(-c2ccc(-c3ccc(C(=N)N)s3)s2)cc(OC)c1OC 1857543566 NINVANNCPHSLNN-UHFFFAOYSA-N 374.487 4.453 0 1 FIAF O=C(O)C[C@@H](c1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 1857629308 BVIHJQJHEQNRGQ-FQEVSTJZSA-N 371.392 4.166 0 1 FIAF Cc1ccccc1NCc1ccc(C(=O)Nc2nc(C(=O)O)cs2)cc1 1857654113 JYVQGXXRLUFLMJ-UHFFFAOYSA-N 367.430 4.014 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2C(=O)OC[C@@H]2[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]12 2356393940 YMZURUWUXXNPKP-KBUJZQQDSA-N 362.510 4.360 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@@](C)(O)CC[C@@H]21 2356456737 OWZUBMHBAHWVRJ-FXTUREPZSA-N 366.542 4.242 0 1 FIAF CC(=O)O[C@@H]1CC2=C(COC2=O)[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@H]12 2356632099 FLSJEPDXKPIBAA-SCFBQEJPSA-N 360.494 4.424 0 1 FIAF CC(C)(C)c1ccc2c(c1)C[C@H](CN1CCN(c3ccccc3)CC1)O2 2382238070 DJJYMRGYBSNEHG-OAQYLSRUSA-N 350.506 4.110 0 1 FIAF Cn1cc(-c2ccc3occ(-c4cccc(C5CCNCC5)c4)c3n2)cn1 2382252723 YEFYCSKFDBXSSK-UHFFFAOYSA-N 358.445 4.362 0 1 FIAF COC(=O)c1cccc(CN2C(=O)[C@H](C)Sc3cc(Cl)ccc32)c1 61905361 UOGSIMSHGDOKHL-NSHDSACASA-N 361.850 4.154 0 3 FIAF O=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccncc1 601755 VQDZDAUWYCUULB-UHFFFAOYSA-N 359.404 4.405 0 1 FIAF COc1ccc(C[C@H](C)[C@H](C)C(=O)c2ccc3c(c2)OCO3)cc1OC 14646516 GRBCXNICXUJJIW-KBPBESRZSA-N 356.418 4.130 0 1 FIAF biogenic,in-vitro NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 28825803 RAQXMBNKKROFAA-UHFFFAOYSA-N 371.484 4.241 0 1 FIAF COc1ccc2c(c1)O[C@@H]1c3c(cc(O)c4c3OC(C)(C)CC4)OC[C@H]21 38793493 WJXJGHJDKJUZPF-KUHUBIRLSA-N 354.402 4.114 0 1 FIAF biogenic OC1=C2C(=NC(=S)N[C@@H]2c2ccc(Br)cc2)c2ccccc21 68583424 VFKFYWYRASAIKA-CQSZACIVSA-N 371.259 4.150 0 1 FIAF biogenic Cc1cccc(CC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)c1 71329327 CPYLILBZCKAFCR-UHFFFAOYSA-N 367.474 4.055 0 1 FIAF CC(C)Oc1cc(CCC(=O)O)n(Cc2ccc(Cl)cc2Cl)n1 73224593 FBAMKBHEKHBEID-UHFFFAOYSA-N 357.237 4.043 0 1 FIAF COCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)ccc21 95559525 AGOZNSVRPRMVEO-UHFFFAOYSA-N 374.440 4.411 0 1 FIAF CC1(C)CC2=Nc3nc(S)nc(O)c3[C@@H](c3ccccc3)C2=C(O)C1 100640709 JKEIZUIFYTZPDD-ZDUSSCGKSA-N 353.447 4.321 0 1 FIAF CC(C)(C)NC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 103283905 ZEQMTWIDCFWVDG-MSEWRSJXSA-N 357.542 4.091 0 1 FIAF CCc1cc(Nc2ccc(CC(N)=O)cc2)nc(-c2cccc(Cl)c2)n1 143258131 WPXONIAMQOCKBO-UHFFFAOYSA-N 366.852 4.131 0 1 FIAF Nc1nc(-c2cccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c2)c[nH]1 169332533 HNRYABKAVMVMPZ-UHFFFAOYSA-N 351.797 4.046 0 1 FIAF CCn1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)c1 474607023 IHFGEFITHXBDQX-UHFFFAOYSA-N 362.380 4.255 0 1 FIAF Cc1cc(Br)ccc1OCc1nc2cc3cn[nH]c3cc2[nH]1 586980566 ALAIXGUUDXSMOC-UHFFFAOYSA-N 357.211 4.089 0 1 FIAF COc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587039721 FAPRKUXVWODBFS-WBVHZDCISA-N 359.882 4.171 0 1 FIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(S)nc(S)nc2[nH]1 587112267 FJLYWBAYJDOWJL-SSDOTTSWSA-N 370.425 4.295 0 1 FIAF Cc1cc(Br)cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c12 587153840 ANPDXWXBXPYZHK-SJCJKPOMSA-N 360.230 4.114 0 1 FIAF CC(=O)NC1(c2nc3ccc(Br)c(F)c3[nH]2)CCC(C)CC1 587234534 ONDCERSWDJVQKI-UHFFFAOYSA-N 368.250 4.006 0 1 FIAF CCCCC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354681 OSUMUXKUJQOTQA-CTNGQTDRSA-N 356.393 4.408 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc(C(=O)O)cc21 587410279 ZHVVMHAAGUQGPE-QHCPKHFHSA-N 371.392 4.165 0 1 FIAF CCOCCCN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)C1 587517342 LFUDRWORVYRLKL-SBUREZEXSA-N 371.521 4.038 0 1 FIAF COC(=O)c1c(C)[nH]c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528357 XYLZACJKQMCDMT-KRWDZBQOSA-N 353.418 4.003 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C2CC2)s1 587615675 XLXXIRCEHXYLOU-QFBILLFUSA-N 365.410 4.429 0 1 FIAF C[C@@H]1Cc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1 587616678 LVXHMMSNVYEBDO-MCYRLUQKSA-N 374.392 4.419 0 1 FIAF CC[C@H](C)c1ccc2[nH]c(-c3cnn(CC)c3)c(N3CCOCC3)c2c1 587641366 FHYMOTXFCBOKGM-HNNXBMFYSA-N 352.482 4.401 0 1 FIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc1F 587738283 MJAXJYPDCMTZOP-VFZGTOFNSA-N 353.210 4.054 0 1 FIAF Cc1cc(F)ncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587739034 SJTAASSMTPBKNI-ABKXIKBNSA-N 353.210 4.054 0 1 FIAF CCCn1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587752763 FSJQESNVSDFEIG-GTNSWQLSSA-N 351.263 4.423 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccccn2)N1 587775017 YCMKFSWMODJGLW-GPGKAPGNSA-N 361.258 4.446 0 1 FIAF Cc1ccc([C@]2(C)NCCc3nc4ccccn4c32)c(F)c1C(F)(F)F 962992117 XTOGVYZXURFXAT-SFHVURJKSA-N 363.358 4.210 0 1 FIAF Cc1nc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c(C)c1O 1857640437 KUIAMDBDNAOARZ-UHFFFAOYSA-N 355.316 4.255 0 1 FIAF Cc1ccc2nc(N3CCCCCC3)nc(N=c3cc(C4CC4)[nH][nH]3)c2c1 1857747229 CLMPQGVQPATTMF-UHFFFAOYSA-N 362.481 4.085 0 1 FIAF CCC=CCC=CC[C@H](O)C=CC=CC=C[C@H](O)CC=CCCC(=O)O 2356635705 HLHYXXBCQOUTGK-SFTDATJTSA-N 360.494 4.491 0 1 FIAF Cc1ccc(CN2C(=O)COCc3cc(-c4cccc(O)c4)ccc32)cc1 74375278 VMIRWTPQTOXLGP-UHFFFAOYSA-N 359.425 4.431 0 3 FIAF O=C1C[C@H]2CCN(C(=O)C3CCC3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 211061872 WZHYPGCCSSMYQC-KPUUQYQLSA-N 365.517 4.252 0 3 FIAF O=C(O)[C@H]1CCCN(CCSC(c2ccccc2)c2ccccc2)C1 13729376 BLCJQHIWIZSPFB-IBGZPJMESA-N 355.503 4.306 0 1 FIAF Fc1cccc2nc(N3CCN(Cc4cccs4)CC3)c3cccn3c12 13801514 WELRCAIEBXBFRT-UHFFFAOYSA-N 366.465 4.010 0 1 FIAF Fc1ccc2nc(NC3CCCCC3)c3nnc(C(F)(F)F)n3c2c1 26378122 YCGCMMCDZGLLDG-UHFFFAOYSA-N 353.323 4.180 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4C=C(O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26478497 CXIZEAWVDWCMQV-JIXKXSJPSA-N 370.537 4.432 0 1 FIAF Cc1ccccc1OC[C@@H](O)CNC(C)(C)Cc1c(C)[nH]c2ccccc12 26731291 CVNLBBDIJYLRGD-SFHVURJKSA-N 366.505 4.135 0 1 FIAF C[C@H]1CCC[C@H](C)N1C[C@@H](O)COC(c1ccccc1)c1ccccc1 28218499 JGCOVNBZGICBIO-CNNODRBYSA-N 353.506 4.416 0 1 FIAF Cc1ccc(-c2cc(NCCCN3CCN(C)CC3)c3ccccc3n2)cc1 28245223 CZLLMCSBCXIMCX-UHFFFAOYSA-N 374.532 4.260 0 1 FIAF Cc1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1F 45201008 VSGMTGSXRLQYAL-FZKQIMNGSA-N 355.375 4.407 0 1 FIAF COc1cc(OC)c([C@H]2COc3cc(O)ccc3C2=O)cc1CC=C(C)C 72108766 NJYHQLKQBUJZIS-GOSISDBHSA-N 368.429 4.277 0 1 FIAF biogenic CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2)c(-c2ccccc2)n1 82133618 BAXKOQYAORADEN-MRXNPFEDSA-N 360.461 4.284 0 1 FIAF Cc1nnc2n1-c1c(Cl)cc(-c3cnccc3C(F)(F)F)cc1CC2 95591870 WFTJPVNBEIWXTI-UHFFFAOYSA-N 364.758 4.409 0 1 FIAF CCCC[C@@](C)(O)C1=CC[C@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@H]3C1 194988722 LJTJQLDGHOLLEZ-QPXUXIHVSA-N 369.549 4.471 0 1 FIAF Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nccs2)nc1OCC1CC1 207729521 UNIQLOTWLJVFFT-INIZCTEOSA-N 359.495 4.153 0 1 FIAF CN(Cc1cccc(F)c1)C1CCN(Cc2cnc(Cl)s2)CC1 299860905 JWIKYVAHONYFGI-UHFFFAOYSA-N 353.894 4.032 0 1 FIAF O=C(CCCCCCC(=O)Nc1ccccc1)NOCc1ccccc1 473135772 KQODFZXYJOSWAW-UHFFFAOYSA-N 354.450 4.214 0 1 FIAF COc1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2cn1 586881762 YCGXZKSSKVITSP-UHFFFAOYSA-N 359.385 4.307 0 1 FIAF COc1cc(OC)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 587005465 WVKKWINOWLMPSA-UHFFFAOYSA-N 368.618 4.058 0 1 FIAF O=C(O)c1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587016918 FAEMKHOJNONRFK-UHFFFAOYSA-N 356.794 4.100 0 1 FIAF COc1ccc2nc(-c3nc4c(Br)nccc4[nH]3)sc2c1 587035252 OREWGZNQMALSNZ-UHFFFAOYSA-N 361.224 4.006 0 1 FIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(Br)c(F)c2[nH]1 587163914 OSVQHIVEBYBPRM-OAHLLOKOSA-N 366.209 4.255 0 1 FIAF Cc1ccc(NC2(c3nc4ccc(S(C)(=O)=O)cc4[nH]3)CCCC2)cc1 587236691 FDHUPBZVPOURJX-UHFFFAOYSA-N 369.490 4.156 0 1 FIAF N[C@@H](Cc1nc2cc(Br)ncc2[nH]1)c1cccc2ccccc12 587258789 KPLBEBFIGXNDJP-AWEZNQCLSA-N 367.250 4.116 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(Cl)cc(Cl)c31)O2 587379607 JOWMPBQZKYJARR-GOSISDBHSA-N 363.244 4.476 0 1 FIAF COc1cc2ccccc2c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC 587401374 WYLWAZZPPXRHQK-SFHVURJKSA-N 363.413 4.454 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccc(O)cc41)[C@@H](C2)C3=O 587448300 CKYSMFLJFZYIIM-WMZHIEFXSA-N 356.377 4.072 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1nn(CC)c3ccccc13)CC2=O 587474150 BZMCWKREHVENFN-LJQANCHMSA-N 350.418 4.421 0 1 FIAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1OCCO 587526499 XVYBFGKTFZHUPT-NRFANRHFSA-N 366.457 4.260 0 1 FIAF CCOc1ccc(-c2nn(C(C)C)c(=O)c3ccccc23)cc1OCC 587668830 GBXMZUOMHPUPOL-UHFFFAOYSA-N 352.434 4.442 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)cc(F)cc2F)N1 587723139 WACIKOBLQWONOD-VGDKGRGNSA-N 371.200 4.072 0 1 FIAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587726178 VULNFMCRIPJFMW-HUTHGQBESA-N 368.221 4.360 0 1 FIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 587784014 CRJMBWVXGIOGOL-MNOVXSKESA-N 362.216 4.208 0 1 FIAF CC(C)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 587792287 HRPWWRPTEWWHJW-XXFAHNHDSA-N 352.251 4.058 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3[nH]2)N1 587806116 URXHMHMCWMWYDA-JDNHERCYSA-N 360.230 4.088 0 1 FIAF CC(=O)C12CC([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)(C1)C2 587815347 LSLAGTDDJFRLNK-WLZIOQEESA-N 366.274 4.097 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C=O)s2)N1 587846893 JHAUYYQVRKHQIC-FVMDXXJSSA-N 368.271 4.260 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(C)s1 587861149 KOLKBTXHMRAMGR-UHFFFAOYSA-N 355.250 4.405 0 1 FIAF O=C([C@@H]1Cc2ccccc2[C@@]2(C=C[C@@H](C(F)(F)F)CC2)N1)C(F)(F)F 962776005 ZTBJLSFGQRGSKT-ZLDLUXBVSA-N 363.301 4.056 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]21CCOc2cc(C)c(Cl)cc21 963257081 GVPJBNWRDDNICP-IBGZPJMESA-N 364.272 4.482 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(F)cc1F)C1CC1 963608656 LRLSJAFMRQXQKL-LAJNKCICSA-N 359.416 4.170 0 1 FIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)C21CC=CC1 963856273 WHJDFGNXSBQIKP-MRXNPFEDSA-N 357.450 4.177 0 1 FIAF CCC=CC[C@@H]1C=C[C@H]2[C@H](CC=CCCCC(=O)O1)C(=O)C[C@H]2OC(C)=O 2356687917 FMPPDLWWZZRSMA-XODKDNOYSA-N 374.477 4.078 0 1 FIAF COc1cccc(C[C@H]2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)c1 2382248136 CHPQNFHJWUBDNH-RVSNTGDXSA-N 365.517 4.000 0 1 FIAF COc1cccc(N(C)C(=O)[C@@H](C2CC2)[C@@H](O)c2ccc(Cl)cc2)c1 203466890 QNKMJWSCNOSINP-OALUTQOASA-N 359.853 4.071 0 3 FIAF Cc1ccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)cc1 3814324 JHSRINSHMPCCTR-UHFFFAOYSA-N 355.445 4.315 0 1 FIAF Cc1c(CNCc2cccs2)c(C(=O)O)c(C)n1Cc1ccccc1 4034975 ZVRKLGGUHHIZAL-UHFFFAOYSA-N 354.475 4.203 0 3 FIAF Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1 22931069 RYACWLKZCHVEBC-UHFFFAOYSA-N 361.961 4.118 0 1 FIAF COC(=O)[C@H](OC)c1cccc(COc2cc(Cl)cc(Cl)c2)c1 103181596 JOJZQAMZWRQXOW-MRXNPFEDSA-N 355.217 4.433 0 1 FIAF C[C@@H]1Cc2cc3c(cc2C(c2ccccc2)=NN1c1ccccn1)OCO3 29565554 XEAHGQUQBXYQGV-OAHLLOKOSA-N 357.413 4.014 0 1 FIAF CCc1ccccc1OC[C@H](O)CNC(C)(C)Cc1c[nH]c2ccccc12 26724673 ZYGIUZZCBZMDTI-LJQANCHMSA-N 366.505 4.081 0 1 FIAF CCCCOC[C@H]1O[C@@H](CCC)[C@H](O)[C@@H](OCCCC)[C@@H]1OCCCC 28900833 CHYSBALTZIVSGB-QGLKVJOYSA-N 374.562 4.102 0 1 FIAF CCC=CC[C@H](O)C=CC=CCC=CC=C[C@H](O)C=CCCCC(=O)O 2356594105 JBRPFYYLEQERPG-SFTDATJTSA-N 360.494 4.491 0 1 FIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC(=O)N4C 36387861 OFWQOFUKQKBZTE-BFXACKLASA-N 361.526 4.173 0 3 FIAF O=C(Cc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1 34574943 BDSZOAWKWSYMDS-UHFFFAOYSA-N 372.403 4.459 0 1 FIAF O=C(NCCNc1c2c(nc3ccccc13)CCCC2)c1ccc(F)cc1 72106263 GYTGGYLIEXABJO-UHFFFAOYSA-N 363.436 4.095 0 1 FIAF COc1ccc(OC)c(CCNc2cncc(Oc3ccccc3F)n2)c1 82068457 ZRGPMNBPUREYTG-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF COc1cc2c(cc1OC)-c1c(oc3c(ccc4occc43)c1=O)CO2 238762285 LAPWFFQUEBKHQY-UHFFFAOYSA-N 350.326 4.116 0 1 FIAF CN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 253644879 IHPIDUYTHZDHCH-XFQXTVEOSA-N 352.478 4.004 0 1 FIAF COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)cc1OC 653799610 QUSLLMMFJJETOG-UHFFFAOYSA-N 366.417 4.061 0 1 FIAF Cc1c(Br)cc2nc(-c3cccc(NC(N)=O)c3)[nH]c2c1C 587242285 PLKHBPFZERWINK-UHFFFAOYSA-N 359.227 4.100 0 1 FIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(C)c2[nH]1 587113724 SVPFWTNTJFPHHW-GOSISDBHSA-N 361.367 4.290 0 1 FIAF C[C@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)c1ccccc1C(F)(F)F 587097506 JSNWSBOLSGQRCT-NSHDSACASA-N 361.367 4.435 0 1 FIAF CC(C)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 587798388 VLEAHGGCZGHAAS-JDNHERCYSA-N 353.235 4.323 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N)cc1)(c1ccc(F)cc1)O2 587383387 BAXMLFDLHDEMJK-QFIPXVFZSA-N 362.404 4.208 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc12 587127066 QXJGRMLRSGYGCI-CBAPKCEASA-N 370.766 4.091 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O 587420269 ICPNXYXSHLEIAG-VBKZILBWSA-N 353.805 4.493 0 1 FIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccnc4[nH]3)cc2)cc1F 587147446 NNITVIBFZQFFOG-UHFFFAOYSA-N 374.419 4.105 0 1 FIAF Cc1oc2c(c1C(=O)O)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587531523 GZXSCYDMHMWEAG-JOCHJYFZSA-N 366.413 4.362 0 1 FIAF CC(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587813111 ASFVQEBRIQVEPS-YPMLDQLKSA-N 362.242 4.414 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OC(F)F)[C@@H](C2)C3=O 587421899 MIRBXWMBQPFMET-YVEFUNNKSA-N 366.747 4.439 0 1 FIAF COc1ccc(C[C@H](C)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1OC 587927826 XYZSDNNFHQVMHJ-JTQLQIEISA-N 365.355 4.340 0 1 FIAF CC(C)NC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508640 AYZQTVKSRMQZEZ-OAQYLSRUSA-N 363.457 4.410 0 1 FIAF Cc1cc(-c2nc3c(O)nccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145531 YIFUDOLXBPNXQE-UHFFFAOYSA-N 363.348 4.143 0 1 FIAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587770964 LGIIXYKQHNDUFB-BTDLBPIBSA-N 365.246 4.006 0 1 FIAF CCOc1ccncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587774998 PGMJPZKLQXLBAG-BTDLBPIBSA-N 365.246 4.006 0 1 FIAF O=C1C[C@](Cn2ccnc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587515682 OFJQILKBCDGGOZ-QHCPKHFHSA-N 358.441 4.323 0 1 FIAF Fc1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc(N2CCCC2)n1 587177458 JTFMMDACOFBTHC-UHFFFAOYSA-N 350.319 4.383 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)C(F)F)N1 587708551 YWVNBGSHSLSFEK-INWYIAFRSA-N 358.148 4.238 0 1 FIAF COc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Cl 587154638 COUJMXDYKNBGOD-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF COC(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1OC 587098147 RQBJPLXHNQDLKF-UHFFFAOYSA-N 368.286 4.183 0 1 FIAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(Br)nc3[nH]2)cs1 587020857 FTKSGKOBXQZYRH-UHFFFAOYSA-N 360.240 4.147 0 1 FIAF CC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587612725 MSGWMILCQSZTJW-FXAWDEMLSA-N 366.394 4.359 0 1 FIAF Fc1cccc2c1[C@@H](c1cnc(NCc3ccccc3)nc1)N1CCC[C@H]1C2 963102441 MSBPTLQPPHFHRC-SIKLNZKXSA-N 374.463 4.338 0 1 FIAF Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)n1 13559995 VXVLSQVFRWSMKF-UHFFFAOYSA-N 367.412 4.227 0 1 FIAF COc1c(/C=C/C(C)(C)O)c2c(c3oc(C)cc(=O)c13)C=CC(C)(C)O2 14711939 ZFGXXFPHCVSNOP-VQHVLOKHSA-N 356.418 4.078 0 1 FIAF NC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2F)c1 206466109 LVAZVFZIGBAIJM-UHFFFAOYSA-N 356.397 4.013 0 1 FIAF COC(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1 3955923 KKPYYEIHMSFECK-QHCPKHFHSA-N 364.489 4.330 0 1 FIAF CCC(C)(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4[nH]c(C)c(c34)C[C@H]2N(C)C1 3784350 UXRWQKITDPCICD-QKYXUNIQSA-N 367.537 4.131 0 1 FIAF investigational CCCc1c(OCc2ccc(/C=C/C(=O)O)cc2)ccc(C(C)=O)c1O 27978327 NBCHZAKVJHZVHW-FMIVXFBMSA-N 354.402 4.224 0 1 FIAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccc(Cl)c(Cl)c1 28457998 VZCNAFRJZSOTBM-XWIAVFTESA-N 350.245 4.041 0 1 FIAF O=C(Nc1cccc(Cl)c1)C1=C(O)c2cc(Cl)ccc2[S@](=O)C1 28104135 QYKAWVLWONHWMZ-QHCPKHFHSA-N 368.241 4.022 0 1 FIAF COc1ccc(-c2ccco2)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c1 64564835 ZBMPJFRDFYYJEV-UHFFFAOYSA-N 368.385 4.212 0 1 FIAF COc1cccc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)c1 28701732 OQVNTIWYXFKENU-UHFFFAOYSA-N 372.472 4.164 0 1 FIAF CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)OC(C)(C)CN2C2CCCC2)cc1 117784425 MCILZQFPQQVSFY-LJQANCHMSA-N 372.509 4.087 0 1 FIAF CCC[C@@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@@H](C)O3 29133803 PGLJHEPEFVKHBP-DGCLKSJQSA-N 354.402 4.283 0 1 FIAF c1nc(NC[C@@H]2CCCCO2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 66129383 VNCQRULLEOVGAR-INIZCTEOSA-N 363.417 4.007 0 3 FIAF Cc1ccc(C)c(C[S@](=O)c2nc3cc(C(F)(F)F)ccc3[nH]2)c1N 28231020 KSVYVVBXEROINW-RUZDIDTESA-N 367.396 4.089 0 1 FIAF CCCCC[C@@H](O)[C@@H](/C=C/[C@@H](O)CCCCCCCC(=O)O)OCC 115330340 IEEBTNFNSJRPDT-KUUUERKLSA-N 358.519 4.065 0 1 FIAF CCCCC[C@@H]1C[C@]2(C[C@@H]1CO)C[C@@H]1[C@H]2[C@H](O)C[C@@]2(C)CCC[C@@]1(O)C2 2356610312 XVHRUBGFWRGWRV-HPYZYVTFSA-N 364.570 4.284 0 1 FIAF CCC(O)(CC)CCCCC12CCC(COC[C@@H](O)CCO)(CC1)CC2 73197091 OSHTYNRDMHCSIU-MWXLCCTBSA-N 370.574 4.198 0 1 FIAF C[S@@](=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2nccs2)cc1 49112936 POXFREUZWCETIK-FYSMJZIKSA-N 362.520 4.183 0 1 FIAF COc1ccc(CCNc2cc(-c3ccc(F)c(F)c3)ncn2)cc1OC 82168165 ZUCBLSVGVXMECE-UHFFFAOYSA-N 371.387 4.094 0 1 FIAF CC(=O)Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1 84728669 UEWGFLIZGFHVFE-ODLFYWEKSA-N 358.401 4.209 0 1 FIAF COc1ccc(-c2cc(NCc3cccc(C)c3)ncn2)c(OC)c1OC 82160173 VBLYBFWDMCGVKA-UHFFFAOYSA-N 365.433 4.090 0 1 FIAF CCCCN(C)C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144796080 XUEKPYWKGJFOEB-LJQANCHMSA-N 363.379 4.337 0 1 FIAF CCCN(C)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 145178493 UVLOMOFEVVSGHE-UHFFFAOYSA-N 362.433 4.495 0 1 FIAF CCCCc1ccc(-n2cc(COC(=O)c3cc4ccccc4[nH]3)nn2)cc1 653738886 IGEQNEJKFLIFNW-UHFFFAOYSA-N 374.444 4.448 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(C(C)(C)C)c2)N1 587761444 UIIJNCCVPMNNLZ-MGPLVRAMSA-N 366.278 4.163 0 1 FIAF Cc1cccc(OCc2nc3c(F)cnc(Br)c3[nH]2)c1C 587564686 WCOKZFFUHYPQLZ-UHFFFAOYSA-N 350.191 4.055 0 1 FIAF CC(C)CCOc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652287 ONNRTHQCYXJYKQ-UHFFFAOYSA-N 370.836 4.163 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1OC(F)(F)O3)CC2=O 587466454 NXBPODXBLWWMCD-INIZCTEOSA-N 362.328 4.373 0 1 FIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cnccc3[nH]1)N2 587031858 QAMAAUYLETUZQB-BNDQCTAISA-N 371.491 4.085 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2Cl)N1 587705668 NOPKJPNORGUKDZ-XXFAHNHDSA-N 369.665 4.434 0 1 FIAF Clc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2)nn1 587087170 INVPCVFFJHVOAU-UHFFFAOYSA-N 350.765 4.069 0 1 FIAF CCC[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587817192 JJCLRBWPYIEOIF-IUUKEHGRSA-N 368.290 4.487 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCc4c1n(C)c1ccccc41)[C@@H](C2)C3=O 587431460 OXSCZZXXODJBSY-GAJHUEQPSA-N 359.425 4.166 0 1 FIAF Cc1cccc2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n12 587773478 JCXITYWEUDHXSL-MGNBDDOMSA-N 374.257 4.168 0 1 FIAF Cc1ccc(C)c2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 587132720 TVWOYCRKBVUXCB-LBPRGKRZSA-N 351.397 4.149 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1coc3ccc(C)cc3c1=O)CC2=O 587491196 NSXXWZKGOJNLQU-HXUWFJFHSA-N 364.397 4.466 0 1 FIAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2Cn2cncn2)cc1 587626153 DKGRVIYRJITMER-UHFFFAOYSA-N 352.825 4.445 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3cc[nH]c3c2)N1 587801743 HXTKOXJUXTYYHJ-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c[nH]nc3c2)N1 587795721 OHJYZCAZSNMAOT-XYZCENFISA-N 360.230 4.088 0 1 FIAF O=C1CC2(CCC3(CC2)CC(C(=O)O)C3)Oc2c1ccc1c2CCCC1 587529107 JGEWCWNQRIJDQK-UHFFFAOYSA-N 354.446 4.324 0 1 FIAF COc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Cl 586997680 QIYHRYGVZBFBCK-CQSZACIVSA-N 367.630 4.069 0 1 FIAF Cc1cc(-c2nc3ncnc(Cl)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879376 OTYGHLASZXGVIH-UHFFFAOYSA-N 364.792 4.347 0 1 FIAF 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355.821 4.013 0 1 FIAF c1ccc(-c2csc(CN3CCc4[nH]nc(C5CCC5)c4C3)n2)cc1 23192220 ZDHKIPMQZAGSHJ-UHFFFAOYSA-N 350.491 4.359 0 1 FIAF Fc1ccccc1-n1cc(-c2ccnc(NCc3ccsc3)n2)cn1 23310332 BKCROWPBCDJTKW-UHFFFAOYSA-N 351.410 4.142 0 1 FIAF COC(=O)CCCCCC1=N/C(=C\c2[nH]c(-c3ccc[nH]3)cc2OC)C=C1 26569708 FLDXSFSUDDPKBC-SSZFMOIBSA-N 367.449 4.494 0 1 FIAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@@H]2CC[C@H]1N2C 27551187 HIFPRIPRHSYXGH-DOIPELPJSA-N 366.505 4.130 0 1 FIAF O=C(c1ccc2ccccc2c1)N1CCC(NCCc2ccccc2)CC1 28707277 QGAJPVDMBLJLBG-UHFFFAOYSA-N 358.485 4.277 0 1 FIAF CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccccc3F)n2C)cc1 29124875 HFEWGCPBCOUQEJ-ATJXCDBQSA-N 369.465 4.202 0 1 FIAF Cc1cc(NCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 34777892 JSSKTVXZGDRQIS-UHFFFAOYSA-N 363.394 4.270 0 1 FIAF S=C(NCc1ccccc1Cl)N1CCC(c2cccc(Cl)c2)=N1 35966652 HKIIASMDLWCWJE-UHFFFAOYSA-N 364.301 4.478 0 1 FIAF CCC1(N2CCC3(CC2)C(=O)NC[C@H]3c2ccc(F)cc2)CCCCC1 38147591 XIZQCMRURAZCEL-IBGZPJMESA-N 358.501 4.234 0 1 FIAF Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 38345001 RWZHKEZRFILBTQ-GCJKJVERSA-N 350.506 4.256 0 1 FIAF COc1ccc2c(c1)OC[C@H]1c3cc(O)c4c(c3O[C@@H]21)C=CC(C)(C)O4 59205286 VWRAKYMXGMVCQG-YJBOKZPZSA-N 352.386 4.195 0 1 FIAF biogenic CC(C)(C)COC(=O)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@H]2[C@@H]1O 66058947 ZUULTBBYUDMOAY-HETMTNPWSA-N 372.505 4.035 0 1 FIAF CCOC(=O)c1csc(-c2nc3ccccc3n2Cc2ccccc2)n1 66076648 JSGYUVKGMKZXJI-UHFFFAOYSA-N 363.442 4.385 0 1 FIAF COc1ccc(C)c2sc(NS(=O)(=O)c3cccc(Cl)c3)nc12 84723881 KPTPWXABIBWSJL-UHFFFAOYSA-N 368.867 4.068 0 1 FIAF COc1ccc(C2=NN(C(N)=S)[C@H](c3cccc4ccccc34)C2)cc1 95584574 AXCWTPZBNBDGJR-FQEVSTJZSA-N 361.470 4.243 0 1 FIAF COc1cccc2c1CC[C@@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620731 OVPZCOIKWJRELI-WIYYLYMNSA-N 360.457 4.288 0 1 FIAF Oc1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 100721971 OAOLZFMKVKHDBF-FGZHOGPDSA-O 356.401 4.290 0 1 FIAF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(CN(C)C)ccc21 103245970 LCSGAWOOXVASDT-QFIPXVFZSA-N 356.485 4.003 0 1 FIAF C[C@H]1C[C@@H](C)CN(CCCn2cnc3c4cc(Cl)ccc4nc-3c2O)C1 103591585 CMGYAAWRUYVIBT-OKILXGFUSA-N 372.900 4.263 0 1 FIAF CN1[C@H]2CC[C@H](OC(=O)C3c4ccccc4CCc4ccccc43)[C@H]1CC2 138373955 SJHRBTYUWMPDTL-QIJUGHKUSA-N 361.485 4.086 0 1 FIAF Cc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1 299860787 HCWLNJACQXQBCE-UHFFFAOYSA-N 360.364 4.137 0 1 FIAF FC(F)(F)COc1cc(-c2nc3ccc(Br)cc3[nH]2)ccn1 587092215 SUQOPDXTOKDVIR-UHFFFAOYSA-N 372.144 4.329 0 1 FIAF CCOC(=O)[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096334 CWTVEDNGRRNGCD-QGZVFWFLSA-N 357.409 4.348 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1C[C@H](C(=O)O)C[C@H]31 587205710 CZPVPMSYPWTWCH-MKBNYLNASA-N 355.393 4.197 0 1 FIAF CC[C@@H](C)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587402260 WKAFWAHKIAYEEM-YJYMSZOUSA-N 355.434 4.470 0 1 FIAF O=C1C[C@]2(CCCC[C@H]2N2CCSCC2)Oc2c1ccc1c2CCCC1 587537642 JLIQCAJRZXNLEA-IRLDBZIGSA-N 371.546 4.261 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C2CC2)s1 587615672 XLXXIRCEHXYLOU-APWZRJJASA-N 365.410 4.429 0 1 FIAF C[C@@]1(CCc2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619725 YYQYWUQZTUMISD-RXVVDRJESA-N 350.370 4.338 0 1 FIAF COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2cc(Cl)c(F)cc12 587629672 WSCIHGIUNGTOCE-UHFFFAOYSA-N 367.710 4.261 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)nc2)N1 587706960 TXKWNINLFUOXLI-ANRSDYALSA-N 355.638 4.260 0 1 FIAF CCO/C=C\[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587721357 PMXYRZSSKURETK-BEXPFERPSA-N 364.205 4.133 0 1 FIAF CC[C@@]1(c2ncccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587767959 CBQNYMRIAPZGPB-KPZWWZAWSA-N 363.274 4.479 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncoc3c2)N1 587778490 LIPRYTNDAOGWSR-XYZCENFISA-N 361.214 4.353 0 1 FIAF CC(C)CC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814860 WIYVUNNXYJWQFX-GTNSWQLSSA-N 356.279 4.343 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCCC2OCCO2)N1 587832914 LJMFPVCLFUWKSR-FZMZJTMJSA-N 372.278 4.097 0 1 FIAF CC1(C)COC(c2cccc(-n3c(O)cc(C4CCCCC4)c3O)c2)=N1 587935551 NKDBKPRYZZITOB-UHFFFAOYSA-N 354.450 4.492 0 1 FIAF COC(=O)c1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cn1 587950699 UCEXPJCXZAUCDU-UHFFFAOYSA-N 359.385 4.128 0 1 FIAF O=C1CCC(c2ccccc2)(c2nc3cc(Br)ncc3[nH]2)CC1 587970593 KZGZYGTYGSFYNS-UHFFFAOYSA-N 370.250 4.150 0 1 FIAF Fc1nccc(Cl)c1[C@H]1c2ccsc2CCN1Cc1cccnc1 962998705 POQTVSSIAQIMKI-QGZVFWFLSA-N 359.857 4.478 0 1 FIAF OC[C@@]1(c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2C[C@H]2CCCN21 963113750 ZSYFJZCRUPOYFT-DNVCBOLYSA-N 366.263 4.389 0 1 FIAF O=C(O)C=C[C@@H]1[C@H]2C=C[C@H]3[C@H]1C[C@@H]1[C@@H](CCCc4ccc(O)cc4)[C@H]2[C@H]31 2356337441 ZCRUGKKXGAGXFI-AQDAGPAHSA-N 350.458 4.286 0 1 FIAF C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1CCC1=C2Cc2c([nH]c3ccccc23)C1 2356341537 QYWNSXINTFHPNN-RLBLXZPPSA-N 365.473 4.225 0 1 FIAF CC(C)=CCc1c(O)c(C(=O)c2ccccc2)cc2c1O[C@H](C(C)(C)O)C2 2356727431 NOIJRZIUXHBWOG-IBGZPJMESA-N 366.457 4.206 0 1 FIAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCCC[C@@]1(C)C[C@H](CO)C(=O)O1 2356824210 GTNWPOFMIVGESM-FPDPHYFHSA-N 366.498 4.254 0 1 FIAF FC(F)(F)c1cc(-c2ccc3c(c2)OCO3)nc(NCc2ccco2)n1 4111318 ZCMZVRCOBGOZTC-UHFFFAOYSA-N 363.295 4.096 0 3 FIAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC 13756927 ODXWUVNDEWRVGP-IBGZPJMESA-N 350.462 4.231 0 1 FIAF COc1ccc(-c2oc3c(ccc4occc43)c(=O)c2OC)cc1OC 14635248 JZASYWWZBYHRIJ-UHFFFAOYSA-N 352.342 4.232 0 1 FIAF biogenic,in-vitro NC(=O)c1cnc2cc(-c3ccc(N)cc3)ccc2c1Nc1ccccc1 28960109 UQNXHBKCNBETEC-UHFFFAOYSA-N 354.413 4.327 0 1 FIAF Cc1ccc(Sc2c(C(=O)NCCO)[nH]c3ccc(Cl)cc23)cc1 35001618 UPWADEKZRMJTJA-UHFFFAOYSA-N 360.866 4.003 0 1 FIAF C[S@@](=O)C[C@H]1[C@H]2CC[C@@]3(CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C2)[C@@H]1O 40567925 QGAOIJGCBCMUAF-KVPSQHLUSA-N 352.584 4.385 0 1 FIAF S=C(N1CCCCCC1)N1CCC(c2cccc(Br)c2)=N1 40846622 LFNAJTPDOBTBIO-UHFFFAOYSA-N 366.328 4.020 0 1 FIAF CO[C@@H]1Cc2ccccc2[C@]2(CCCN(CCCc3ccccc3)C2)O1 45319802 ZQQMWLKKSVHRHG-XZOQPEGZSA-N 351.490 4.156 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(CS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC/C2=C\O 100982712 ZEOJQFVGZBSEHJ-DGLGTODWSA-N 362.491 4.372 0 1 FIAF C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102048638 RZMHSHIIWPYBCZ-VDGAXYAQSA-N 365.473 4.289 0 1 FIAF Nc1ccc(-c2ccc3c(c2)CNC[C@H]3c2ccc(Cl)c(Cl)c2)nn1 114512940 ZNELUNAFGGGGOF-HNNXBMFYSA-N 371.271 4.268 0 1 FIAF O=C1NCCc2nc(-c3ccccc3)cc(Nc3ccc4ncccc4c3)c21 116989986 LQBRWTYVWKFNRE-UHFFFAOYSA-N 366.424 4.326 0 1 FIAF O=c1c(-c2ccsc2)cnc2c(-c3cccc(C(F)(F)F)c3)c[nH]n12 136815001 DTPGJMFWKWJQOR-UHFFFAOYSA-N 361.348 4.437 0 1 FIAF Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccc(F)cc3)cc12 169350954 VHZKCRBSOMZQSL-UHFFFAOYSA-N 370.387 4.054 0 1 FIAF O=C1N=Nc2nc(CN3CCC(c4ccccc4)CC3)nc3cccc1c23 169710162 SLHHDKSCIVPYAK-UHFFFAOYSA-N 357.417 4.247 0 1 FIAF CCC(CC)CN1C[C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 254043128 IJNVZJDGKCQVBR-NNZMDNLPSA-N 369.336 4.337 0 1 FIAF CCO[C@@H](c1ccc(OCc2ccccc2C)cc1)C(F)(F)C(=O)O 473097836 DHQZFESCZXGHDF-KRWDZBQOSA-N 350.361 4.372 0 1 FIAF O=Cc1ccc(OCc2occc2-c2nc3ccc(F)c(F)c3[nH]2)cc1 586900062 AVEBBSXNDBZQEI-UHFFFAOYSA-N 354.312 4.493 0 1 FIAF c1ccc(-c2csc(=Nc3cccc(-c4nc5cccnc5[nH]4)c3)[nH]2)nc1 587021590 PMDNGRDZFSSEEQ-UHFFFAOYSA-N 370.441 4.309 0 1 FIAF CCOC(=O)c1ccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2c1 587026121 AVBKIRWFHXQJQA-UHFFFAOYSA-N 367.430 4.355 0 1 FIAF N[C@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1Cl 587058800 ZKPDZXPUXJBJQB-LLVKDONJSA-N 368.637 4.360 0 1 FIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(F)c(F)c(F)c2[nH]1 587064988 JIJKSEDIELUIQP-UHFFFAOYSA-N 370.714 4.034 0 1 FIAF COC(=O)C1(c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)CCC1 587107358 RGIIVLOPXOSXER-UHFFFAOYSA-N 357.409 4.349 0 1 FIAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(F)cnc4[nH]3)c(F)c2)c1 587138916 VSNPBDKKWUIERM-UHFFFAOYSA-N 369.302 4.407 0 1 FIAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 587149841 NHZKCLPOZXZLOV-OAHLLOKOSA-N 353.788 4.299 0 1 FIAF CCc1ccc([C@]2(c3ccc(N)cc3)CC(=O)c3cc(C)cc(N)c3O2)o1 587391399 SZBUYNODKPFSEQ-JOCHJYFZSA-N 362.429 4.224 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)CC1(C)C)O2 587393164 GJMSYGWYEFXETD-QHCPKHFHSA-N 364.489 4.213 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1)[C@@H](C2)C3=O 587423058 SXPFSLVXRIOBOY-VBKZILBWSA-N 366.804 4.227 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1Br)[C@@H](C2)C3=O 587423988 MTPQWUGHZFRFLB-DYZYQPBXSA-N 363.182 4.086 0 1 FIAF CC[C@]1(c2ccc([C@@H](C)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441887 ULIOYRVKYNOQMX-FIRDEBMASA-N 352.430 4.456 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)CCCCC(=O)OC)CC2=O 587477808 HESNRQWUVSUYPR-QKKBWIMNSA-N 362.466 4.438 0 1 FIAF C[C@@]1(c2cnc3[nH]cnc(Cl)c2-3)CC(=O)c2ccc3c(c2O1)CCCC3 587499843 NGPNWXMMOSLWAZ-FQEVSTJZSA-N 367.836 4.322 0 1 FIAF O=C1C[C@H](c2cccn2C[C@H]2CCCO2)Oc2c1ccc1c2CCCC1 587512933 PWYUCIHXKLVOMG-IIBYNOLFSA-N 351.446 4.252 0 1 FIAF Nc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542815 AGWFTGJNZKZKRR-PXNSSMCTSA-N 367.788 4.331 0 1 FIAF CC(=O)[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822883 NCFREZFNUXRPPA-PGQWDYDZSA-N 354.263 4.097 0 1 FIAF CCOC(=O)c1ccc2nc([C@H](CC)c3ccc(OC)c(OC)c3)[nH]c2c1 587925543 CILYGVSHLKVWBR-OAHLLOKOSA-N 368.433 4.299 0 1 FIAF COC(=O)c1ccnc2nc(-c3ccc(-c4ccccc4OC)cc3)[nH]c12 587932465 OSHVOAGBRBBNDW-UHFFFAOYSA-N 359.385 4.087 0 1 FIAF Cc1ccc2c(c1)-c1ccccc1[C@@H]2NC(=O)NC(=O)c1ccccc1F 653787408 JSTUMKDLOONFHJ-FQEVSTJZSA-N 360.388 4.344 0 1 FIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCC[C@@H]3CCCC[C@H]32)N1 963229795 QAHMUUNSNIOKBR-WYGDDPHOSA-N 350.462 4.019 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@@H]2C2=C(C(=O)OC2)[C@H]1[C@H](C)CCC=C(C)C 2356306036 AKUDLPRCYTWGQW-BMYXNCJNSA-N 360.494 4.446 0 1 FIAF CCCC(=O)c1c(O)ccc([C@@H]2CC[C@H](O)c3cccc(OC)c32)c1O 2356848321 PDNKITHXMWOSQS-WFASDCNBSA-N 356.418 4.048 0 1 FIAF Cc1cnc(NC(=O)N2CCN(c3ccc(C)c(Cl)c3)[C@H](C)C2)s1 2382251715 IMZDYYUEYGKVGG-GFCCVEGCSA-N 364.902 4.156 0 1 FIAF CSc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 2038627 CYPWEVNLBQKLEU-UHFFFAOYSA-N 361.896 4.247 0 1 FIAF COc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)cc1C(C)C 13602423 XIJWPODLOVPHNA-UHFFFAOYSA-N 357.406 4.251 0 1 FIAF O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc4cnoc4c3)ccc21 14977235 JVXRNVODACSYED-HNNXBMFYSA-N 367.401 4.180 0 1 FIAF CCC(CC)CN1CCC(C(=O)Nc2cc(Cl)c(N)cc2OC)CC1 29468319 IPWXOXDBWZSLPB-UHFFFAOYSA-N 367.921 4.018 0 1 FIAF O=C(NCCOC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 68586668 OLKKNGNPDGVSRX-UHFFFAOYSA-N 368.220 4.364 0 1 FIAF biogenic CC[C@H](C)NC(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1 82133240 BAAJNDZDXDTHRZ-HNNXBMFYSA-N 352.482 4.417 0 1 FIAF CC(=O)O[C@H]1[C@@H](C)[C@]2(C)Cc3c(C)coc3C[C@H]2C[C@H]1OC(=O)C=C(C)C 85767228 BFTOORVCRFGUHC-IFHSJGHXSA-N 374.477 4.159 0 1 FIAF biogenic Cc1cc(C(F)(F)F)cc(C)c1C(=O)C[C@@H]1COCC[C@H]1N1CCCC1 96170650 QOTORLJCOFSHAE-NVXWUHKLSA-N 369.427 4.396 0 1 FIAF CC(C)N(C(=O)n1nnc(-c2ccc(Oc3ccccc3)cc2)n1)C(C)C 96258074 ILOUJXHBYRSJHF-UHFFFAOYSA-N 365.437 4.219 0 1 FIAF O=[N+]([O-])c1ccc(N2c3ccncc3Sc3ccncc32)c([N+](=O)[O-])c1 138127298 FUCYQXMJGDDOQF-UHFFFAOYSA-N 367.346 4.227 0 1 FIAF CC1(C)CC(NC(=O)c2ccc(Cc3ccccc3)cc2)CC(C)(C)N1 140101837 LYADBNMWJVLLIR-UHFFFAOYSA-N 350.506 4.316 0 1 FIAF C[C@@H](CO)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=S)OC[C@]4(C)[C@H]3CC[C@]12C 169338637 JIAXPKPFEUBJEA-DNRPIUGTSA-N 365.583 4.089 0 1 FIAF CC(=O)c1ccc(OCCCCOc2cccc(C(=O)O)c2C)c(C)c1O 169351432 ZSCQZDLGNFDBQE-UHFFFAOYSA-N 372.417 4.148 0 1 FIAF COc1ccc(NC(=N)c2ccccc2)cc1C[S@](=O)C1CCCC1 169352382 QHFZIPSASAAIHW-VWLOTQADSA-N 356.491 4.324 0 1 FIAF OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@@H]1[C@@H]3CC[C@H]3[C@@H]12 261518039 GJFCEMOCWVYDKT-PQGMIVFZSA-N 364.570 4.405 0 1 FIAF in-vitro COc1ccc(CNC(=O)c2ccccc2-c2ccc(F)cc2)cc1OC 299866805 PKUCBEWNPBWPOD-UHFFFAOYSA-N 365.404 4.440 0 1 FIAF Cc1ccc(CSCCc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 586970638 HRSZBAIZEDPPKR-UHFFFAOYSA-N 369.534 4.288 0 1 FIAF Cc1cc(Br)ccc1OCc1nc2cncc(Cl)c2[nH]1 586981091 KNRGASGLXYVGIC-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(F)c(F)cc3[nH]2)s1 587022930 FQIWEQGLCYPQLA-UHFFFAOYSA-N 352.366 4.312 0 1 FIAF COC(=O)c1cc2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2cc1OC 587034126 PHJDUJFSPKUNJG-JTQLQIEISA-N 356.447 4.211 0 1 FIAF O[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1Cl 587059422 PZQPQUXCRPNPPU-CYBMUJFWSA-N 373.584 4.339 0 1 FIAF O=C(CCCc1nc2cnc3ccccc3c2[nH]1)c1ccc(Cl)cn1 587080137 AQMMNRRRKGDHNP-UHFFFAOYSA-N 350.809 4.365 0 1 FIAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc(C(C)(C)C)c2[nH]1 587193914 IKJJISKYCDNBMD-MRXNPFEDSA-N 374.529 4.378 0 1 FIAF COc1ccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2n1 587195138 BXVOCDNNPFBEIX-UHFFFAOYSA-N 368.437 4.313 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1Cl)OCO3)CC2=O 587460727 HLJQYJLPPRWEKF-MRXNPFEDSA-N 360.793 4.433 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(C)s1)CC2=O 587495899 VKIVYVIOTCCXQN-FQEVSTJZSA-N 374.458 4.440 0 1 FIAF COC(=O)c1cc(F)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587508070 YJMDXPHWLBHHAZ-IBGZPJMESA-N 354.377 4.198 0 1 FIAF CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C 587525689 QYGHMDYUOPEGLC-PGKMIFDNSA-N 356.462 4.269 0 1 FIAF COc1cc(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587597964 ADLLOIFOHRJNOZ-SIKLNZKXSA-N 362.381 4.412 0 1 FIAF CCOC1=C(C)[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599596 YAPDLNBFCMLCNA-WIYYLYMNSA-N 352.386 4.197 0 1 FIAF CC(C)N1CCC([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587766205 GEQDBGGGTBRINF-XIKOKIGWSA-N 369.322 4.284 0 1 FIAF CC(C)[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587770608 ATHYORYZTFKNCK-KZULUSFZSA-N 363.274 4.417 0 1 FIAF CCOc1ccnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587773890 RWVCXWJMCCBGEZ-DYZYQPBXSA-N 365.246 4.006 0 1 FIAF COc1ccc(-c2cccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2)cc1O 587786732 PWAZNRMMYJUQGZ-HXUWFJFHSA-N 374.400 4.335 0 1 FIAF COCCC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 587793564 NPNZDDRMASKUHY-BDJLRTHQSA-N 356.279 4.370 0 1 FIAF CCOC1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587813095 SYQPQUTVEPAFQR-BLQFLSLASA-N 356.279 4.297 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C=O)s2)N1 587845774 FSKTYZLMPBLIBB-ABKXIKBNSA-N 368.271 4.260 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)s2)N1 587848934 QAWMEFWHXXWSGV-ANRSDYALSA-N 354.244 4.086 0 1 FIAF COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)co2)cc1OC 621431136 PMIOZUSHVWKQAC-CQSZACIVSA-N 351.402 4.455 0 1 FIAF CN1[C@H]2CCC[C@H]1CC1(C2)c2ccsc2CCN1Cc1cccnc1 962996229 HQZXGYUPPZCQBQ-ROUUACIJSA-N 353.535 4.043 0 1 FIAF COCCCOc1ccc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1 963104107 HCXZHYAYDAFMTN-KNQAVFIVSA-N 355.453 4.351 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cccn1-c1ccc(C)cc1 963606382 HMOVQKIUDJSWQP-WAIKUNEKSA-N 362.473 4.427 0 1 FIAF CSc1sc(C(=O)Nc2ccccn2)c2c1-c1sncc1CC2 1772646313 XKOVBCPMWPZBSI-UHFFFAOYSA-N 359.501 4.339 0 1 FIAF CNc1nc(CCCCc2ccccc2)nc2sc(C(=O)O)c(C)c12 1857627998 NIXXUXQZHROTQS-UHFFFAOYSA-N 355.463 4.305 0 1 FIAF Cc1cccc(-c2cc(NC(=O)c3ccc(Cl)cc3O)cnc2O)c1 1857632939 OFROIEWRVQTMLE-UHFFFAOYSA-N 354.793 4.374 0 1 FIAF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(Cc3cc4ccccc4o3)C1)C2 2356311227 VUVCNJJVMNUTLF-LPHOPBHVSA-N 360.457 4.247 0 1 FIAF CCC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CC=CCC=CCCC(=O)O 2356464802 CRDZYJSQHCXHEG-RTWAWAEBSA-N 360.494 4.491 0 1 FIAF CO[C@H]1O[C@H]2Oc3c(O)c(C(C)C)cc(C=O)c3[C@@]13CCCC(C)(C)[C@@H]23 2356600032 WYHKLFVOHQLLTR-WERVVEIQSA-N 360.450 4.113 0 1 FIAF CN(C)c1cccc(CNc2nccc3[nH]c(-c4cccc(F)c4)nc23)c1 74386774 JMXAKKYQNRINAR-UHFFFAOYSA-N 361.424 4.442 0 3 FIAF COc1cc2c(cc1C)CCN1Cc3c(ccc(OC)c3OC)[C@@H](C)[C@@H]21 2356330791 RJBZUUJYCNBKRV-SZNDQCEHSA-N 353.462 4.237 0 1 FIAF Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@@H]1CCOC1 8582028 GONCOGHZCWCVGP-MRXNPFEDSA-N 372.428 4.434 0 1 FIAF COc1ccc(OC)c(/C=C/c2nnc(S)n2-c2ccc(Cl)cc2)c1 103197382 SZAPSUMZRGZLGR-XCVCLJGOSA-N 373.865 4.397 0 1 FIAF CC[C@H]1CC[C@H](C(=O)c2cn(CCN3CCOCC3)c3ccccc23)CC1 101301765 FJDXEYUKDXDFBU-KDURUIRLSA-N 368.521 4.373 0 1 FIAF CC(=O)N1N=C(c2cccc3ccccc23)C[C@H]1c1ccc2c(c1)OCO2 66111654 QFOXTVJYKRBAOM-FQEVSTJZSA-N 358.397 4.266 0 1 FIAF COc1cccc2c1OCC[C@@H]2CCCN1CCN(C2CCCCC2)CC1 66074377 OFHQJGZDDSMQBQ-IBGZPJMESA-N 372.553 4.292 0 1 FIAF Clc1ccccc1OC1CCN(c2ccc(-c3ccoc3)nn2)CC1 28655447 ISRUXRKDDCEPOZ-UHFFFAOYSA-N 355.825 4.438 0 1 FIAF CCc1ccc(O[C@@]2(C)CCN(Cc3ccc4c(c3)OCCO4)C2)cc1 61903852 HOGGOCDYAINOFA-QFIPXVFZSA-N 353.462 4.064 0 3 FIAF CO[P@](C)(=O)OC[C@]1(C)[C@H](C=C(C)C)[C@H]1CO[P@](C)(=O)OC 31900637 BSAAHOUPSFVCBI-COZAYEEFSA-N 354.320 4.177 0 1 FIAF COc1cc(-c2nc(CN[C@H](C)c3ccccc3)co2)cc(OC)c1OC 72181839 WNNIRMAVPNIVMU-CQSZACIVSA-N 368.433 4.218 0 1 FIAF CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1CCc1ccccc1 85597506 UABXRQZSVGUZMR-LJQANCHMSA-N 370.489 4.239 0 1 FIAF biogenic,in-vitro Nc1nccn2c(C3CCC3)nc(-c3ccc([C@@H](O)c4ccccc4)cc3)c12 95585609 MHAAGGKKTADGMH-NRFANRHFSA-N 370.456 4.328 0 1 FIAF OCC(CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@H](C1)[C@@H]1[C@H]2[C@H]2CC[C@H]21 238751917 GJFCEMOCWVYDKT-AHIQLAALSA-N 364.570 4.405 0 1 FIAF CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN([C@@H]13)[C@@H]2CC(C)=O 103141408 RJITZLAAWJSIDF-LGXLHQAVSA-N 366.505 4.284 0 1 FIAF biogenic COc1cc([C@H]2COc3cc(O)c(CC=C(C)C)cc3C2)c(O)cc1O 43010434 ZEYGPIZPJVPIMO-OAHLLOKOSA-N 356.418 4.039 0 1 FIAF biogenic CC(C)CN1C(=O)N2CCc3ccccc3[C@@]2(c2ccc(Cl)cc2)C1=O 68571993 WFGYYKVOETULQU-NRFANRHFSA-N 368.864 4.060 0 1 FIAF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N)c(Cl)c2)N1 587694298 LDOYKIVWNSZDLT-BCTVWOGZSA-N 369.665 4.447 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2)N1 587835215 VRFADZPWKCRVPT-QGHHPUGFSA-N 350.231 4.092 0 1 FIAF C[C@@]1(c2cccc3ncoc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586983 MQMNXFSZCUBVNW-AVRDEDQJSA-N 373.364 4.410 0 1 FIAF CCC(=O)CC[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587813076 MTNHOJXZAREORX-PIGZYNQJSA-N 356.279 4.487 0 1 FIAF C[C@]1(c2c[nH]c3nccc-3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590223 RWSXNIYTYUVZHN-XMSQKQJNSA-N 372.380 4.097 0 1 FIAF COc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1C 587005474 JJEZQXCQWYSBIR-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 587937162 NPCARCWHSDBTRY-RTWAWAEBSA-N 372.428 4.475 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CN(C)C)c1)CC2=O 587468197 ITMVSTOTZZJCBA-NRFANRHFSA-N 369.461 4.121 0 1 FIAF O=C(O)c1cc(F)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587018241 YYHVCMOAJNUSQQ-UHFFFAOYSA-N 374.784 4.239 0 1 FIAF O=C(O)/C=C\c1ccccc1-c1nc2cc(Br)cc(F)c2[nH]1 586879370 LUZKGLVTHSXUBW-WAYWQWQTSA-N 361.170 4.229 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(/C=C/C(=O)OC)cc1)CC2=O 587482385 SXWCKZOZVXFFDY-ACGJQVIASA-N 366.413 4.237 0 1 FIAF Cc1ccccc1C(=O)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587813737 DPJVZOVKHDIJIX-PIGZYNQJSA-N 362.242 4.355 0 1 FIAF COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1C 587204464 KAJROTZCJLTPAH-MRXNPFEDSA-N 361.486 4.362 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCOC1)CC2=O 587493844 WJEQEFCPTXNKEY-OPAMFIHVSA-N 352.430 4.242 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(O)cc1F 587557416 NIDYACUCAXTKQW-XLIONFOSSA-N 370.307 4.079 0 1 FIAF Cc1ccnc2c1CCN[C@@]2(C)c1ccc(NC(=O)Oc2ccccc2)cc1 963083772 DMFCPEUXCRFKBZ-QHCPKHFHSA-N 373.456 4.410 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C(F)F)c3)C2)cc1 1772635449 UINJQHDEINWIEN-XOBRGWDASA-N 374.431 4.479 0 1 FIAF COc1ccc(C(=O)c2c(C)n(C[C@H]3CCCN3C)c3ccccc23)cc1 13781963 ZSUIOMKJDWYWBQ-GOSISDBHSA-N 362.473 4.284 0 1 FIAF FC(F)(F)Oc1cccc(-c2ccc3ncc(-c4cccnc4)n3n2)c1 1857597689 ZFLXINBQKYGZCI-UHFFFAOYSA-N 356.307 4.357 0 1 FIAF CC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 6929285 ZHWWTDDEKJJJDC-UHFFFAOYSA-N 368.458 4.050 0 1 FIAF CN(C)C[C@@H]1C[C@@H]2c3c(cccc3C(F)(F)F)Cc3ccccc3N2O1 13437121 ZNWOCPPAOLYORT-MAUKXSAKSA-N 362.395 4.423 0 1 FIAF CC[C@@](C)(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 13834608 PESFADVCQDQRNO-OAQYLSRUSA-N 367.497 4.113 0 1 FIAF CCCC[C@H](O)C1=CC[C@@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@H]3C1 27714191 DJYWGBMTZMYDEB-WZYRSQIMSA-N 355.522 4.081 0 1 FIAF COc1ccc(-c2coc(C=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1 36477147 GOGPSENJIRRGAI-UHFFFAOYSA-N 368.385 4.461 0 1 FIAF CCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(Cl)cc12 84688481 WVXDJOGNHLCWST-UHFFFAOYSA-N 369.896 4.422 0 1 FIAF CCOC(=O)c1ncn2c1CN=C(c1ccc(Cl)cc1)c1ccccc1-2 95555600 VBEIJFCSFKWFID-UHFFFAOYSA-N 365.820 4.053 0 1 FIAF O=C1NC(=O)/C(=C/c2ccc(OCCc3cccs3)c(Cl)c2)S1 96282304 VJCSPDGZXATDMY-ZROIWOOFSA-N 365.863 4.347 0 1 FIAF COc1ccc(C(OC2C[C@H]3CC[C@H](C2)N3C)c2ccc(OC)cc2)cc1 100738028 UVTIKAPUYIWFDZ-RTBURBONSA-N 367.489 4.435 0 1 FIAF CN1[C@@H]2CC[C@H](OC(=O)C3c4ccccc4CCc4ccccc43)[C@@H]1CC2 101228228 SJHRBTYUWMPDTL-NYVOZVTQSA-N 361.485 4.086 0 1 FIAF CCCn1c(Nc2cccc(F)c2)nc2nc(C3CCCC3)[nH]c2c1=O 117389456 DZFKYXYHPJNBLK-UHFFFAOYSA-N 355.417 4.070 0 1 FIAF Cc1cc(C)c(C)c(Oc2ccc(F)cc2C(=O)Nc2cc[nH]c(=O)c2)c1 143259414 FRPSWJAAGUNIRU-UHFFFAOYSA-N 366.392 4.484 0 1 FIAF CC(C)(O)CC[C@]1(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 169329199 SQPPPRGNSWAGDL-YMPZKCBVSA-N 357.538 4.248 0 1 FIAF N#Cc1ccc(CNc2n[nH]c(Nc3cc(Cl)cc(Cl)c3)n2)cc1 220908397 ZBTHZILLFZMVJL-UHFFFAOYSA-N 359.220 4.339 0 1 FIAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@H]1C/C(C)=C\CC[C@](C)(OC[C@@H]2C)[C@@H]3O1 238743402 MDSDQZGJBVBIFN-GEVYSUCUSA-N 362.510 4.129 0 1 FIAF NC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccc(F)cc1 299871619 YXDSOEPXVJCKBM-UHFFFAOYSA-N 371.462 4.462 0 1 FIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 586881648 HSAWBBXOFJTKKW-UHFFFAOYSA-N 362.763 4.423 0 1 FIAF CNc1cc(Cl)ccc1-c1nc2ccc(Br)c(O)c2[nH]1 587067397 YMGXYTQSCOBNKP-UHFFFAOYSA-N 352.619 4.393 0 1 FIAF Cn1cnc2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cnc21 587104210 FEVOTZHJPCIPFC-UHFFFAOYSA-N 362.392 4.395 0 1 FIAF COc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1C 587124118 LSWVUZRWFSETRV-OTYXRUKQSA-N 365.359 4.051 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc4cccc(Cl)c4n1)[C@@H](C2)C3=O 587420875 JPJHZIFMYSOFGV-RNODOKPDSA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4cccc(C(C)=O)c4n1)[C@@H](C2)C3=O 587436137 MCOZSFRHZNQTFF-GAJHUEQPSA-N 373.408 4.109 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(Br)c1)CC2=O 587458844 LSYUEYNGTUSOKJ-HNNXBMFYSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(C)=O)cc1C)CC2=O 587471029 PXKJANPJPDJODB-QFIPXVFZSA-N 367.445 4.492 0 1 FIAF CCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1CO 587481469 MPOIDEUGMGLOAS-NRFANRHFSA-N 370.445 4.332 0 1 FIAF C[C@]1(c2ccc3[nH]c(=N)sc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587537606 INRGXHLAPZTRRF-OAQYLSRUSA-N 364.470 4.468 0 1 FIAF Cc1cc(N)cc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577625 LBXGUSHOLXIQBZ-UGKGYDQZSA-N 361.397 4.294 0 1 FIAF C[C@]1(c2cc(C=O)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613854 PKFRARQZWCQDSF-YLJYHZDGSA-N 366.394 4.143 0 1 FIAF O=C(O)[C@@]1(c2ccc3c(c2)CCCC3)c2c(F)cccc2C[C@H]2CCCN21 963109015 UERTUDKMWXONJR-AUSIDOKSSA-N 365.448 4.053 0 1 FIAF O=C1[C@@H]2C=CC=C[C@H]2[C@H](c2cc(F)cc(F)c2)N1c1ccc2nc[nH]c2c1 1772611405 VNSIXYYNRQNFCG-HLIPFELVSA-N 363.367 4.287 0 1 FIAF COc1cc(C2=NO[C@H](c3c[nH]c4ccccc34)C2)cc(OC)c1OC 1857768494 YLUDPNJHUCWRDC-KRWDZBQOSA-N 352.390 4.059 0 1 FIAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H]2CC(=CCCCC(=O)O)C[C@H]21 2356712305 XZFRIPGNUQRGPI-WKWVNEEDSA-N 350.499 4.072 0 1 FIAF COCCN1C(=O)COCc2ccc(-c3csc4ccccc34)cc21 74375483 BMCJWEUTOPXWQN-UHFFFAOYSA-N 353.443 4.078 0 3 FIAF CC(=O)c1cc(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)n2c1CCC2 203460075 MTDDQFMQEMSGAM-UHFFFAOYSA-N 355.743 4.336 0 3 FIAF CC(C)(C)c1noc(-c2ccoc2)c1C(=O)NCCOc1ccccc1 2483516 VSMPXCFCCFPHJF-UHFFFAOYSA-N 354.406 4.041 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H]2CO[C@@H](C2)[C@@H]1C/C=C/CCCC(=O)O 13525276 DJKDIKIDYDXHDD-YQTYBOMPSA-N 350.499 4.336 0 1 FIAF CCCc1nc(C)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13823692 NHLVNLVHSMHHRU-UHFFFAOYSA-N 364.445 4.050 0 1 FIAF CCC[C@@H]1Oc2ccc(Oc3ccccc3)cc2C=C1CN(O)C(N)=O 13833887 ARCXCEDIOSEFIK-SFHVURJKSA-N 354.406 4.193 0 1 FIAF O=C(NC[C@H]1CCCO1)c1cc(-c2ccccc2)c(N2CCCCC2)s1 21894380 VCJGRFFANASWRJ-QGZVFWFLSA-N 370.518 4.314 0 1 FIAF CC[C@H](C1=CC(=O)OC1)[C@@]1(C)CC[C@@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1=O 26826905 RXAQOPSWCQZTHW-IIMRHOHNSA-N 374.521 4.059 0 1 FIAF O=C(O)CCC/C=C/C[C@@H]1CO[C@H](C(F)(F)F)O[C@H]1c1ccccc1O 35635975 ZWAVGFSZMACJHA-QJSRFWTRSA-N 374.355 4.186 0 1 FIAF O=C1CS[C@H](c2ccco2)N1CCNc1ccnc2cc(Cl)ccc12 72107205 SYOQGCQAWWPAAC-GOSISDBHSA-N 373.865 4.167 0 1 FIAF CC(C)CN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1 82214708 JVVJODDDYAOVRJ-UHFFFAOYSA-N 366.509 4.108 0 1 FIAF O[C@H](CN1CCCCC1)[C@@H]1Oc2ccccc2[C@H]1CCc1ccccc1 96902512 WXYWDEZLAOBARR-MQSCRBSSSA-N 351.490 4.011 0 1 FIAF CCOC1(OCC)[C@H]2c3cc(Cl)ccc3[C@@H]([n+]3ccccc32)C1(C)C 100714917 FIOXJHIGIIFMOK-RBUKOAKNSA-N 358.889 4.471 0 1 FIAF CC[C@H](C)CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165939824 ZLOZQNWQYQWSHJ-HNNXBMFYSA-N 351.450 4.010 0 1 FIAF Cc1cc(C)c2nc(C(F)(F)F)cc([C@@H](O)C[C@@H]3CCCCN3)c2c1 169334032 KXGCWJQQFJMQKK-BBRMVZONSA-N 352.400 4.436 0 1 FIAF Cc1ccccc1NC(=O)c1cccc(-n2c(O)c3c(c2O)CC=CC3)c1 169690303 NNDADBUPFYHSKG-UHFFFAOYSA-N 360.413 4.104 0 1 FIAF O=C1CSc2ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc2N1 587043214 IVFSXBMNZDCBHD-UHFFFAOYSA-N 367.327 4.432 0 1 FIAF Oc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081829 VSXTUVBYKVMWQY-UHFFFAOYSA-N 361.792 4.299 0 1 FIAF Cn1cc(-c2nc3ccc(F)c(Br)c3[nH]2)c(C(F)(F)F)c1 587113711 XPYMAUYUMOILIA-UHFFFAOYSA-N 362.124 4.489 0 1 FIAF CCOC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587374093 GIULLVCZXRYEMO-KRWDZBQOSA-N 359.809 4.114 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1scc(Br)c1C)O2 587408432 BSXBJNCCNBIRSJ-CYBMUJFWSA-N 352.253 4.416 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)ccc1OC)CC2=O 587484153 WXZIJOLCCQMLBN-NRFANRHFSA-N 356.418 4.243 0 1 FIAF CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587512543 DZVHWLWQGGCKBQ-UHFFFAOYSA-N 371.477 4.300 0 1 FIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)N(C)Cc1ccccc1Cl 587638039 IKAGLFNXQURKBP-UHFFFAOYSA-N 356.809 4.100 0 1 FIAF Cc1ccc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587775107 ZBQXGMPFFWQJFR-SGTLLEGYSA-N 363.274 4.500 0 1 FIAF Cc1ccc2[nH]nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587791082 FFCLRPTUKCSJJA-MLCYQJTMSA-N 374.257 4.397 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccccc2)N1 587796681 UKKSVZGSUFUTLW-KZULUSFZSA-N 364.258 4.417 0 1 FIAF Cc1ccnc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587802786 NRTUVKGXJZPZLO-BTDLBPIBSA-N 374.257 4.397 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C2(C)CC2)N1 587816150 UUPACLCDJNEAQI-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(O)cc32)N1 587830905 FTMIUDWOZOHBKB-MLCYQJTMSA-N 362.242 4.018 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCSCC2)N1 587857989 NRPVQQNREHZQKP-QFYYESIMSA-N 358.320 4.481 0 1 FIAF CO[C@H](C)COC1CCC(c2nc3c(Cl)cnc(Cl)c3[nH]2)CC1 587952686 VNTWPQKXMLYTRP-KPPDAEKUSA-N 358.269 4.342 0 1 FIAF Cc1nc2sc(C(=O)Nc3ccccc3Cl)c(N)c2cc1[C@H](C)O 1772579096 XYMPOGVLGDVZQS-VIFPVBQESA-N 361.854 4.146 0 1 FIAF Nc1ccccc1NC(=O)c1ccc(CN[C@H]2C[C@H]2c2ccccc2)cc1 1857634903 LIYQACIRFGXYBN-UGKGYDQZSA-N 357.457 4.167 0 1 FIAF CO[C@@H]1O[C@H]2Oc3c(O)c(C(C)C)cc(C=O)c3[C@@]13CCCC(C)(C)[C@@H]23 2356600030 WYHKLFVOHQLLTR-ANTGDGSKSA-N 360.450 4.113 0 1 FIAF Cc1ccc([S@](=O)Cc2ccc(C(=O)NC3CCC(C)CC3)o2)cc1 6772100 KOBJMTHXPUSKDF-OXLUBXFZSA-N 359.491 4.204 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H]2CO[C@@H](C2)[C@@H]1C/C=C/CCCC(=O)O 14952900 DJKDIKIDYDXHDD-YYQGYSFXSA-N 350.499 4.336 0 1 FIAF C[C@H](NCCN(C)C)[C@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 22950399 OQLPSYJNZRYLOQ-YEOVSZKKSA-N 370.581 4.404 0 1 FIAF CC[C@H](C)c1cc(-c2[nH]ncc2-c2ccc3c(c2)OCO3)c(O)cc1O 28461988 OHOJLMASLIOMNZ-NSHDSACASA-N 352.390 4.397 0 1 FIAF COCCn1c(-c2ccc(C(C)C)cc2)nc2c(OC)ccc(OC)c21 58583938 BEFGZKDRCHBNNO-UHFFFAOYSA-N 354.450 4.490 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc(F)cc2)n1 82141096 ZLDCZFWWPCZXBH-HNNXBMFYSA-N 370.472 4.365 0 1 FIAF CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc(C)c2)n1 82146724 QAWOWHRYRUPPCJ-IRXDYDNUSA-N 366.509 4.026 0 1 FIAF O=C(CCCCCCCCCCc1ccccc1)[C@@H]1C(=O)CC[C@H](O)C1=O 85910911 YKNFYZLEJAATOF-FCHUYYIVSA-N 372.505 4.218 0 1 FIAF biogenic Cc1noc2c1-c1sc(C)c(C)c1C(c1ccccc1)=N[C@H]2CC(N)=O 96284458 QAQYIUBNNWPRMF-AWEZNQCLSA-N 365.458 4.096 0 1 FIAF CCN(C(=O)c1ccccc1OCc1ccccc1C)[C@@H]1CCC[C@H](N)C1 96286342 RNVOUQXPLNRWPP-VQTJNVASSA-N 366.505 4.306 0 1 FIAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 201110902 WMCLAHJLCTWGGR-VNCHPCCOSA-N 351.490 4.045 0 1 FIAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2cnccn2)c1 218348590 WXLUJESXDJJOTQ-HXUWFJFHSA-N 358.401 4.003 0 1 FIAF CC(=O)N1C[C@]2(CCN(Cc3ccc(Cl)cc3)C2)Cc2ccccc21 299852280 PSXCBGMLQDGPKY-OAQYLSRUSA-N 354.881 4.141 0 1 FIAF CCc1c(C(=O)NCCc2ccc(OC)c(O)c2)[nH]c2ccc(Cl)cc12 299860848 HIBNODAHGAXOTR-UHFFFAOYSA-N 372.852 4.070 0 1 FIAF CN=c1nc(NC2CC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 473087661 LIQXUOCBGNQIHT-UHFFFAOYSA-N 364.396 4.415 0 1 FIAF CC1=C(c2ccc3nc(-c4c(C)ccc5ccccc45)[nH]c3c2)NNC(=O)C1 586884312 SWZGKBWEQHEZQA-UHFFFAOYSA-N 368.440 4.447 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cnc3ccccc3c2[nH]1 586916702 NKUFRALHQOMMDP-ZHRRBRCNSA-N 357.413 4.328 0 1 FIAF COc1cncc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 586997550 ZADISXVUHAXKNV-UHFFFAOYSA-N 362.227 4.043 0 1 FIAF NC(=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083430 TYPMAMVIBGBINR-UHFFFAOYSA-N 357.200 4.184 0 1 FIAF COc1cncc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587151687 SXENVCVKLPWMPY-IBGZPJMESA-N 367.355 4.413 0 1 FIAF O=C(c1coc2ccc(Cl)cc12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 587277964 BSZXDJZTPBTGQE-LLVKDONJSA-N 357.768 4.461 0 1 FIAF Cc1n[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346350 MEASEUCLNBLVTF-TZIWHRDSSA-N 366.392 4.146 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3CC[C@@H]2CC3=O)[C@@H]1c1ccc(F)cc1 587349207 FLQPJEGAWGUGQW-UOSAEHAVSA-N 366.388 4.018 0 1 FIAF COC[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349336 PMMFENMVFBFMSF-PZJWPPBQSA-N 358.409 4.322 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(C=COc4cc(C)c(Cl)cc41)[C@@H](C2)C3=O 587424008 WOEFAMLNOLIVKS-VBKZILBWSA-N 354.789 4.206 0 1 FIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4ccc(O)cc41)[C@@H](C2)C3=O 587448299 CKYSMFLJFZYIIM-CVDCTZTESA-N 356.377 4.072 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1C)CC2=O 587464229 LYAPOQVMYXEKHK-AWEZNQCLSA-N 368.355 4.112 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cc(F)cc1F 587557063 LIEXGNCAGIGZIH-YLJYHZDGSA-N 370.307 4.079 0 1 FIAF CCCCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576536 JHYOULXKXYBNSM-PXNSSMCTSA-N 364.401 4.092 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N)ccc2F)N1 587719070 OTIKSZMCBKMUSL-XYZCENFISA-N 367.237 4.107 0 1 FIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C 587748929 BTOLLYRLGBIIMF-VVVCHXIZSA-N 351.263 4.167 0 1 FIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1N 587751645 YOXANCALSXHYTK-BBATYDOGSA-N 363.274 4.277 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ncccc32)N1 587778192 LJGQTYRSMFRFJP-VOJFVSQTSA-N 361.258 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccncc23)N1 587800592 BUQLHASQVAXXPG-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF CO[C@@H]1[C@H](C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587813983 XCACVJNBKQSHLB-ZATFBAOWSA-N 356.279 4.009 0 1 FIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587929422 JLOOGGFAUMNLEW-QKKBWIMNSA-N 350.418 4.178 0 1 FIAF COc1cccc([C@@H](C)Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587932304 SBLQDGIAXKKTPI-ZDUSSCGKSA-N 350.397 4.243 0 1 FIAF CC(C)CN1CCc2cc(O)ccc2[C@@H]1c1ccc(/C=C/C(=O)O)cc1 653742679 PRJBEVDNTURUGU-FNNZQJQASA-N 351.446 4.094 0 1 FIAF COC(=O)c1csc([C@H]2c3ccsc3CCN2Cc2cccnc2)c1 962993530 CDWQRYBZLBGFKV-GOSISDBHSA-N 370.499 4.139 0 1 FIAF CC(C)COc1ccccc1CNC(=O)c1c2c(c(Cl)n1C)CCC2 1857642168 XUTYCDDDHNLXNF-UHFFFAOYSA-N 360.885 4.132 0 1 FIAF C[C@H](C[C@]1(C(=O)O)[C@H](C)CC[C@@]23COC(=O)C2=CCC[C@H]31)c1ccoc1 2356463890 QJSXPJCSCZFGGZ-INCASTDYSA-N 358.434 4.154 0 1 FIAF CC(C)=CCCC(=CCCC(=CCCC(C)=CCO)C(=O)O)C(=O)O 2356512755 CWJILJZJOHIERW-UHFFFAOYSA-N 350.455 4.254 0 1 FIAF CCNC[C@@H](O)COc1cccc2c1c1ccccc1n2CC=C(C)C 2382242527 BLLOZBLTWRCZIK-QGZVFWFLSA-N 352.478 4.110 0 1 FIAF COc1cccc(-c2nn(C)c3sc(C(=O)N4CCCCCC4)cc23)c1 5006866 HORYKSGJRJZVLJ-UHFFFAOYSA-N 369.490 4.327 0 1 FIAF CCOc1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Cl)cn2)c1F 6411236 QLRFOQAJDSEUSU-PWSUYJOCSA-N 367.783 4.090 0 1 FIAF CCCCOc1cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2n1 13731430 QGTCHNUWJMNKHC-SJPCQFCGSA-N 368.477 4.196 0 1 FIAF Cc1c(Sc2ccc(Cl)cc2)c(=O)on1C(=O)N1CCCCC1 26847871 CSTPTCWKDDLUKJ-UHFFFAOYSA-N 352.843 4.008 0 1 FIAF COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CCCC2CCCCC2)cc1 27203587 JWOBTRFVBVCZKU-GHTZIAJQSA-N 369.553 4.343 0 1 FIAF Cc1cccc2c(=O)n(CCc3ccccc3)c(-c3ccccc3O)nc12 28336501 QJLBVVQLUQMZCK-UHFFFAOYSA-N 356.425 4.320 0 1 FIAF CCCCCCc1ccc(Oc2cccc(NC(=O)C(=O)O)c2)c(O)c1 29049740 MKPCTUMPQBVAEP-UHFFFAOYSA-N 357.406 4.330 0 1 FIAF O=C1NC[C@H](c2ccccc2)C12CCN(C1(C3CC3)CCCCC1)CC2 38357693 DJMKLJQFMUSLBV-HXUWFJFHSA-N 352.522 4.095 0 1 FIAF O=C(C[C@@H](C(=O)Nc1ccccc1)n1ccnc1)c1ccc2c(c1)CCCC2 45364030 FLRUUDJQRMIWHO-NRFANRHFSA-N 373.456 4.215 0 1 FIAF CC(=O)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1 49073423 SKZVJZQVXSCUCD-UHFFFAOYSA-N 364.424 4.004 0 1 FIAF CC/C=C\C[C@H](O)/C=C/C=C/C=C/[C@H](O)C/C=C\C/C=C\CCC(=O)O 96014699 CRDZYJSQHCXHEG-WSMWHGLVSA-N 360.494 4.491 0 1 FIAF O=C(Nc1nc(CF)cs1)c1cc(Cl)cc(Oc2cncnc2)c1 96938938 LZVLEJKOSAWKJZ-UHFFFAOYSA-N 364.789 4.101 0 1 FIAF CCOC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccn3CC)cc1)N2C 100875816 ZEBKVNWXQZNPAB-BLKABHOGSA-N 366.505 4.304 0 1 FIAF O=C(CCCN1C[C@H]2CC[C@H](C1)N2c1ccccc1)c1ccc(F)cc1 101203152 OWMYGKYXZFSRMD-NHCUHLMSSA-N 352.453 4.142 0 1 FIAF CC1=C(c2nc(-c3cccs3)cs2)[C@@H](c2cccc(O)c2)NC(=O)N1 145383956 UEEGQSOVQGFTHG-MRXNPFEDSA-N 369.471 4.362 0 1 FIAF COC(=O)[C@@]1(C)CCCC2=C1CC[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O 169647121 CRSACJNXOSEYLN-UQLQBKHNSA-N 358.434 4.344 0 1 FIAF CC(C)(C)Cc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1 224572969 VQAAOOHCCMAUQE-UHFFFAOYSA-N 353.401 4.036 0 1 FIAF Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](CC(=O)O)c1ccc(Cl)cc1 299856481 IYKAHCFNTYFAON-OAHLLOKOSA-N 363.841 4.485 0 1 FIAF Oc1ccc(C2(c3nc4ccc(C(F)(F)F)cc4[nH]3)CCOCC2)cc1 586913067 LMLSGGKLIGDAPY-UHFFFAOYSA-N 362.351 4.384 0 1 FIAF Cc1cc(Cl)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005777 RXBGNNRHCNKPBD-UHFFFAOYSA-N 358.026 4.398 0 1 FIAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccccc2[nH]1 587167065 HAMKOAHWXLFVSR-UHFFFAOYSA-N 373.434 4.231 0 1 FIAF COc1ccc(-c2ncc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1 587414312 UFJHITXTWVWDNS-KRWDZBQOSA-N 366.442 4.416 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccn1 587546171 IVWLPMQEYMNBOL-LPHOPBHVSA-N 353.761 4.144 0 1 FIAF CCCn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587582787 RALHBZNDUMADEG-WIYYLYMNSA-N 364.401 4.010 0 1 FIAF C[C@@H]1c2ccccc2C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604703 VKAFJLNBGNGLGH-ZTWLPKFNSA-N 358.393 4.452 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc2ccccc2n1 587661483 PLUIDORRFGFLJJ-UHFFFAOYSA-N 368.371 4.135 0 1 FIAF CCn1c(C)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587755792 QPKZPCJARHKREV-BMLIUANNSA-N 351.263 4.342 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2ccn3C)N1 587760123 XIHLOXRUJLNKIP-BBATYDOGSA-N 363.274 4.041 0 1 FIAF CC(C)COCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587797599 WJKMJDZOFUYIHO-PXAZEXFGSA-N 358.295 4.400 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC(=O)C2CC2)N1 587815594 NXPXDZFCLZNHEE-HWPZZCPQSA-N 354.263 4.313 0 1 FIAF CCOCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587826979 HPSNQVNRVQBXRC-BTDLBPIBSA-N 368.246 4.341 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC23CCOCC3)N1 587834588 LLEOQQGBLROMHL-KPZWWZAWSA-N 368.290 4.298 0 1 FIAF CC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587844845 BZXLCBUOZHQLAB-ZKANADHPSA-N 368.271 4.476 0 1 FIAF O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4ccccc4)c3O)c2)n1 587937002 FPNMIFMUFXLVDS-UHFFFAOYSA-N 372.380 4.316 0 1 FIAF CC[C@]1(c2ccc3c(c2)CCCO3)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963576946 BTVQZVXRIDKZDN-NPMXOYFQSA-N 367.489 4.217 0 1 FIAF CC(C)(C)CO[C@H]1OC(=O)C(Cl)=C1Nc1ccc(Br)cc1 1857768340 GIHXMJCTDNBPCR-AWEZNQCLSA-N 374.662 4.257 0 1 FIAF Nc1ccc(-c2cc(N[C@H]3CCCCNC3)c3ccncc3c2)c(F)c1 1911576118 NTJHXOPWIGBYGG-KRWDZBQOSA-N 350.441 4.177 0 1 FIAF C[C@@H](O)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356496786 OCGURTBICGSGSG-LXYOLIHHSA-N 359.554 4.055 0 1 FIAF CCOC(=O)c1c(-c2ccc(OC)cc2)oc2c1[C@@H](OC(C)=O)CCC2 95598830 YJRIICGVXPHCMC-HNNXBMFYSA-N 358.390 4.072 0 3 FIAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccccc6)cccc5c4CCN3C[C@@H]12 199737810 NSYKPQNEAQBFTA-JNHSIYEJSA-N 373.500 4.388 0 3 FIAF CCOc1ccc2c(c1)OC[C@H](c1ccc(OC)c(OCC)c1OC)C2 3203053 REPYCQHEIUYLQU-OAHLLOKOSA-N 358.434 4.220 0 1 FIAF biogenic O=C(CC1=CCCCC1)NC[C@@H]1Cc2c(F)ccc(-c3ccncc3)c2O1 11788760 YPWTYGBZFQBJAB-KRWDZBQOSA-N 366.436 4.198 0 1 FIAF FC(F)(F)c1nc2c3c(ccc2[nH]1)CC[C@H](CNCc1ccccc1)O3 13586898 JFFIIIVILGKQSZ-CQSZACIVSA-N 361.367 4.065 0 1 FIAF CC(C)=CCc1c2c(cc3c1O[C@H]1c4ccc(O)cc4OC[C@@H]31)OCO2 27434183 PBSYSIQJUCPBCG-LPHOPBHVSA-N 352.386 4.239 0 1 FIAF Cc1cccc(C(=O)O)c1/N=c1\sc(-c2ccc(Cl)cc2)nn1C 28375504 JSGVQCIPGFMKPW-ZPHPHTNESA-N 359.838 4.041 0 1 FIAF CSc1nc2sc3ccccc3c2c(=O)n1-c1ccc2c(c1)OCO2 28949293 ZNRSVGADINWTRO-UHFFFAOYSA-N 368.439 4.051 0 1 FIAF CCC(CC)CN1C[C@H]2[C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 254043123 IJNVZJDGKCQVBR-BCDXTJNWSA-N 369.336 4.337 0 1 FIAF CC1(C)N(O[C@H]2CCCCO2)[C@H](c2ccccc2)C(c2ccccc2)=[N+]1[O-] 254142657 GAMOJAJDLUVODK-PZJWPPBQSA-N 366.461 4.237 0 1 FIAF COc1cc2ccc(=O)oc2cc1OC(=O)/C=C/c1ccc(Cl)cc1 299856835 CGVIYLCXVHCNDS-XBXARRHUSA-N 356.761 4.074 0 1 FIAF O[C@H](c1ccc(Br)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 586996512 GSNCODOIUSOKTH-CYBMUJFWSA-N 371.156 4.426 0 1 FIAF Fc1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1Br 587034947 KRLCDKICIINBKR-LLVKDONJSA-N 367.243 4.383 0 1 FIAF COc1cncc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c12 587065167 KWVJOWSKYHJMAA-UHFFFAOYSA-N 353.813 4.089 0 1 FIAF COC(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1OC 587131802 UJAGVIRKTSVYFW-UHFFFAOYSA-N 372.371 4.240 0 1 FIAF O=C1C[C@H](c2cnc3[nH]cnc(Cl)c2-3)Oc2c1ccc1c2CCCC1 587496942 CSFFFAJCNPYUDF-OAHLLOKOSA-N 353.809 4.148 0 1 FIAF CC(C)(C)OC(=O)N1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515492 SMCXGYOEBQOAFL-JOCHJYFZSA-N 371.477 4.300 0 1 FIAF CCOC(=O)[C@@H](c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523624 LFSDRPKXFORDIN-SFTDATJTSA-N 364.441 4.246 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCNc1ccccc12 587591113 BENPDBYBQZKOEK-OFNKIYASSA-N 373.408 4.455 0 1 FIAF N[C@H](N=O)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587781795 CXQIFYOUNPWKBA-HXUWFJFHSA-N 374.400 4.238 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCOC(C)(C)C2)N1 587835377 WCOUKBWNNMBKDF-OHUAYANFSA-N 356.279 4.369 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2C=O)N1 587846671 VJYHFDHJHCDPIF-CLAHSXSESA-N 354.244 4.086 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cncs1 587861821 WLEMXGJBXYREEV-UHFFFAOYSA-N 368.245 4.401 0 1 FIAF COc1c(C)cc(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587946429 SXTUTAMQRQXDIJ-UHFFFAOYSA-N 365.408 4.096 0 1 FIAF Cc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)c1Cl 653808385 MZSONBOADBXTJB-UHFFFAOYSA-N 351.797 4.167 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(Cl)nc3ccccn23)N1 962947140 NFNBCBHCQPOGMV-KZULUSFZSA-N 350.853 4.483 0 1 FIAF Cc1c(SCCCC(=O)O)c2ccc(Cl)cc2n1-c1cnn(C)c1 1772590464 JLTDSKIOWGFSOS-UHFFFAOYSA-N 363.870 4.283 0 1 FIAF CC(C)OCCCNC(=O)c1csc(Nc2ccc(Cl)cc2)n1 1857591369 AICUHLRDSPXOIT-UHFFFAOYSA-N 353.875 4.085 0 1 FIAF C[C@H](O)CC=CCCCCCCCCC=CC(=O)NCCCCC(=O)O 2356430569 OFAIMODNBSGXLZ-IBGZPJMESA-N 367.530 4.362 0 1 FIAF COC(=O)C=C[C@@H](C)[C@H](C=CC1=CCC(c2csc(C(C)C)n2)=N1)OC 2356696572 GGTIUQUCNXPFEF-KDOFPFPSSA-N 374.506 4.280 0 1 FIAF COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1ccc3ccccc3c1C2=O 5923238 VODISZCOJIVBTN-CVDCTZTESA-N 370.408 4.354 0 1 FIAF O=C1C[C@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 12356165 GMDLSAWBJALPNC-QGZVFWFLSA-N 351.421 4.091 0 1 FIAF Cc1noc2c1[C@H](c1ccc(N(C)C)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 17511637 CORQTGWNVYPLKB-OALUTQOASA-N 351.450 4.272 0 1 FIAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccccc32)c(Cl)c1OC 26671004 UFQMXWWSDZEGHS-INIZCTEOSA-N 356.853 4.268 0 1 FIAF COc1ccccc1C(=O)[C@](C)(NC(=O)c1cccc(OC)c1C)C(C)C 27524744 XUHGJCVWJKHCEX-JOCHJYFZSA-N 369.461 4.040 0 1 FIAF Nc1ccc2c(c1)CNc1c(Nc3ccc(F)c(Cl)c3)ncnc1O2 28571179 BTNALJYZXFMSPP-UHFFFAOYSA-N 357.776 4.313 0 1 FIAF CCCc1ccc(S(=O)(=O)N[C@H](C)Cc2c[nH]c3ccccc23)cc1 28820478 NHDLSBROCUFLJG-OAHLLOKOSA-N 356.491 4.030 0 1 FIAF CN1C(=O)CN2C(Cl)(Cl)[C@]2(c2ccccc2)c2cc(Cl)ccc21 31851207 MBDAGNNYSNKUSM-CISYCMJJSA-N 367.663 4.007 0 1 FIAF O=C(Cc1ccccc1)NCCCCNc1ccnc2cc(Cl)ccc12 35190597 ZSEKOIWXZKSETL-UHFFFAOYSA-N 367.880 4.439 0 1 FIAF O=C(Nc1cccnc1)Nc1nc2ccc(OC(F)(F)F)cc2s1 40764453 BGXXRBXQLMTJQB-UHFFFAOYSA-N 354.313 4.234 0 1 FIAF c1cc2cc(CN3CCc4nc(N5CCCCC5)sc4C3)ccc2[nH]1 45303162 JXINXMCJDIBMHE-UHFFFAOYSA-N 352.507 4.173 0 1 FIAF COc1cc(OC)cc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(C)=O)c1 58608266 PGRFTAZYCSSNKM-IBGZPJMESA-N 358.825 4.055 0 1 FIAF Brc1ccccc1-c1nc(CNCCc2ccccc2)co1 72185801 OXVNHHZPLMNAAA-UHFFFAOYSA-N 357.251 4.436 0 1 FIAF COc1ccc(SC[C@@H](O)Cn2c(C)c(C)c3ccccc32)c(OC)c1 84687482 FZYCLMGWYULUGK-INIZCTEOSA-N 371.502 4.429 0 1 FIAF O=C(Nc1nccs1)[C@H]1C(=O)N2c3ccccc3Sc3cccc1c32 100658588 RREYBNOETXPZQE-AWEZNQCLSA-N 365.439 4.008 0 1 FIAF Cn1cc(-c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c2cc[nH]c2c1=O 146309728 PDEAWFQUQLIYSE-UHFFFAOYSA-N 361.357 4.234 0 1 FIAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(=O)[C@@H](C)CCC=C2 253665329 AOLDAQSREUYBEV-GJZGRUSLSA-N 360.450 4.432 0 1 FIAF CCOC(=O)c1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2c1 587017020 RAOMALMHXRRIBS-UHFFFAOYSA-N 353.403 4.432 0 1 FIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Cl)cnc3[nH]2)cs1 587019107 GIXAJBAWWRNGFY-UHFFFAOYSA-N 365.846 4.006 0 1 FIAF COC(=O)c1cccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c12 587066114 IXRPSQMNJYXLHL-UHFFFAOYSA-N 358.825 4.323 0 1 FIAF COc1cncc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587075458 DTBWBZFWZHDJRP-UHFFFAOYSA-N 352.781 4.055 0 1 FIAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](CC(=O)O)C4)-c1ccccc1C2=O 587100729 FZLYKXYEQKGUCV-CYBMUJFWSA-N 357.409 4.334 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(C)c1F)O2 587382720 UJKHJFZZXDEBBR-HNNXBMFYSA-N 364.214 4.494 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccc(OCCF)cc1)(C(C)C)[C@@H](C2)C3=O 587424683 RYSLGHBXYOXBTO-AVRDEDQJSA-N 370.420 4.342 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(C(C)(C)C)c1C)CC2=O 587477099 ULVMAWXZIXKSKO-OAQYLSRUSA-N 356.466 4.485 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccccc1)CC2=O 587485366 VRDRNBOQLQLHAJ-QFIPXVFZSA-N 368.429 4.159 0 1 FIAF O=C1C[C@](c2ccccc2)([C@@H]2CCCNC2)Oc2c1ccc1c2CCCC1 587526437 RHMVQJNWJGKNNS-DVECYGJZSA-N 361.485 4.426 0 1 FIAF CC(C)(C)OC(=O)Nc1c(C2CCOCC2)[nH]c2c(C(=O)O)cccc12 587638074 KHSWHFSIEAMQIV-UHFFFAOYSA-N 360.410 4.107 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)C(F)F)N1 587708554 YWVNBGSHSLSFEK-SREIQFSDSA-N 358.148 4.238 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN2CCCCC2)N1 587766003 LUJQYHHEEOUNAK-UGSOOPFHSA-N 369.322 4.214 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncoc3c2)N1 587778488 LIPRYTNDAOGWSR-VVVCHXIZSA-N 361.214 4.353 0 1 FIAF CCC[C@@]1(CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587800233 WERPVHVORCKCHG-DIFFPNOSSA-N 372.278 4.071 0 1 FIAF CCOC(=O)CCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800490 YABDZKSHFIKXSZ-GTNSWQLSSA-N 372.278 4.071 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCO3)N1 587831949 AKQNVBLZJHZIEE-YPMLDQLKSA-N 362.242 4.147 0 1 FIAF O=C(C1CCC1)N1CCC2(CC1)NCCc1cc(-c3ccccc3)ccc12 962664012 HWFFFFDGNAHLCS-UHFFFAOYSA-N 360.501 4.117 0 1 FIAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCCc4ccccc4)cc3)c12 1772581206 PDSSQGHYCJMBBM-UHFFFAOYSA-N 371.444 4.298 0 1 FIAF FC(F)(F)c1ccc(-c2nnc(CN3CCc4ccccc4C3)o2)cc1 1857756935 MPXGENWZDUPWTF-UHFFFAOYSA-N 359.351 4.314 0 1 FIAF CC(=O)O[C@@H]1O[C@H]2OC(=O)[C@H](C)[C@@H]3C([C@@]4(C)CCCC(C)(C)C4)=CC=C1[C@H]23 1911583955 OSZJDRRCNZELDT-DBSAAFSYSA-N 374.477 4.130 0 1 FIAF CC(=O)OC[C@]1(C)C[C@H](O)C[C@]2(C)[C@@H](CCC(C)=CCO)C(C)=CC[C@@H]12 2356673637 RXNUONBNCKZRCS-KNOXWWKRSA-N 364.526 4.018 0 1 FIAF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)O)[C@@H]2CC[C@H](C)C[C@H]2C(=O)[C@@]1(C)O 2356718797 GVNQXZBVWDAWQB-GPWBOKNKSA-N 360.494 4.158 0 1 FIAF CCOc1c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2nn1CC 8670351 PNPZPOAVLGBNER-LJQANCHMSA-N 363.461 4.262 0 3 FIAF CC(=O)O[C@@H](C=C(C)C)C/C(C)=C/COc1ccc2ccc(=O)oc2c1 13374360 HBHAENAAWHAOMI-POUQMFDLSA-N 356.418 4.406 0 1 FIAF biogenic,in-vitro O=C1c2c(O)cccc2C(Sc2ccc(O)cc2)c2cccc(O)c21 13757273 RDAMJAZCJDHAJQ-UHFFFAOYSA-N 350.395 4.230 0 1 FIAF COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(-c4cncn4C)cc3)c1C2 28954382 BLIVKENFXUSCOS-UHFFFAOYSA-N 372.428 4.066 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CCC[C@H](O)C3)s2)o1 40953371 WOQQURWNFMADML-RYUDHWBXSA-N 367.540 4.436 0 1 FIAF CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc3c(c1)OCO3)CC2=O 45496839 BYJHRPCUKQDFRM-GOSISDBHSA-N 368.385 4.042 0 1 FIAF Clc1cc(Nc2ncnc3cc[nH]c23)ccc1OCc1ccccn1 73165608 SJMHQTPAHZSCGB-UHFFFAOYSA-N 351.797 4.329 0 1 FIAF Nc1cccc(-n2c(COc3ccccc3)nnc2SC2CCCC2)c1 95595318 ZFCZOPCVOPBZNW-UHFFFAOYSA-N 366.490 4.463 0 1 FIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5oc(C(=O)O)cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169372135 YRTQKPWOTFXIJI-KPDZWOPNSA-N 358.478 4.296 0 1 FIAF CC(=O)N[C@@H]1CCCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21 205712386 KQZMIIXNHUDHFO-QGZVFWFLSA-N 352.331 4.420 0 1 FIAF NCC[C@H]1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21 207248869 BVWMTYDPXCWJOP-KRWDZBQOSA-N 365.864 4.109 0 1 FIAF CC(C)[C@@](C)(O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586892387 WXSPNSCIOBPGSO-GFCCVEGCSA-N 351.166 4.208 0 1 FIAF Oc1cccc2c1OCC(c1nc3c(C(F)(F)F)cc(F)cc3[nH]1)=C2 586906823 AJSPLCMUWHWMQY-UHFFFAOYSA-N 350.271 4.359 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(O)cccc1C3 586991245 LSBRDEACDABQAB-UHFFFAOYSA-N 351.361 4.429 0 1 FIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(C(N)=O)c2[nH]1 587013964 DUQWBRFBZXKINI-UHFFFAOYSA-N 368.849 4.414 0 1 FIAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)s1 587014999 VOAVSTDESYXGEX-ZDUSSCGKSA-N 374.510 4.033 0 1 FIAF CCOC(=O)C[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587108120 VGEFTHMYZBEHGD-ZDUSSCGKSA-N 357.409 4.429 0 1 FIAF FC(F)(F)Oc1cccc(CSCc2nc3nc(Cl)c[nH]c-3n2)c1 587122305 BMCDRLGZXFSWAA-UHFFFAOYSA-N 374.775 4.290 0 1 FIAF C[C@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)C=C(c2ccccc2F)NO1 587156076 LOPIGMZYTHUEKZ-MRXNPFEDSA-N 365.195 4.195 0 1 FIAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587170414 QCNYMIJRBKYQER-GFCCVEGCSA-N 357.454 4.300 0 1 FIAF CCCC[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349584 QBWZVWBDIWJQEV-FPOVZHCZSA-N 358.409 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc(Br)cc1)O2 587372673 QNDZCYKKJSHZIT-CQSZACIVSA-N 360.251 4.306 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(C)cc(C)c(C(C)=O)c1C)[C@@H](C2)C3=O 587446100 UARDDOIHYVNISQ-KSFYIVLOSA-N 350.414 4.312 0 1 FIAF C/C=C(\Br)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587671101 PUIQMPQKBHLFQI-BVEFNCMQSA-N 363.068 4.462 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2F)N1 587724153 DZJKBWBDWWMTPT-PWJLMRLQSA-N 354.194 4.057 0 1 FIAF Cc1ccncc1CC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587774003 KRQAYSPWWBWPBN-WBMJQRKESA-N 363.274 4.500 0 1 FIAF COc1c(C(C)C)cc2c(c1OC)[C@@]1(C(O)O)CCCC(C)(C)[C@H]1CC2 685935785 FKPCESAYUWEVSC-OPAMFIHVSA-N 362.510 4.148 0 1 FIAF biogenic,in-vitro COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1oc2cc(O)ccc2c1C 963642713 ZESLGRFKSSFTGI-IPQOISQHSA-N 367.445 4.262 0 1 FIAF NCc1cc2ccc(-c3cncc(C(=O)NCc4ccccc4)c3)cc2s1 1857599655 DFRGCRLLGBPFGD-UHFFFAOYSA-N 373.481 4.352 0 1 FIAF COC(=O)c1ccc(OC/C(C)=C/CC/C(C)=C/COC(C)=O)cc1C 1857755474 AMOJAQUXEMXFLH-ZYHSJPTQSA-N 360.450 4.396 0 1 FIAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CC[C@H](O)CCC=C2 2356335536 BYSMYOUCOMWGGJ-MRXNPFEDSA-N 356.418 4.302 0 1 FIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3[C@@H](O)C[C@H]2[C@@H](C)N(C)C)C1 2356456088 QZRQSCKMNSTUAL-WZPDLSCBSA-N 374.613 4.074 0 1 FIAF O=C(O)CN1C(=O)c2ccccc2Nc2ccc(OCc3ccccc3)cc21 592762 YTAKRFVKWAPNOF-UHFFFAOYSA-N 374.396 4.054 0 1 FIAF COc1ccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c2c1 1486151 AIYBKTHGVJGOBK-RBZFPXEDSA-N 358.869 4.084 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4049910 SIUQFDTXXHWXML-HKUYNNGSSA-N 374.843 4.487 0 1 FIAF CC(C)C[C@H]1[C@@H](OCc2ccccc2)CO[S@@](=O)N1Cc1ccccc1 5840964 UPNNHCINTOBUBN-WOVHNISZSA-N 373.518 4.098 0 1 FIAF C[C@H](C(=O)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 6030255 SXZYCRORGALMIH-VNKQRKCFSA-N 361.526 4.187 0 1 FIAF CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C/Cl)[C@@H]2CCc3cc(O)ccc3[C@@H]12 13556099 WYSGEJWYPOTZIV-JBCZNIOISA-N 362.897 4.357 0 1 FIAF Cc1[nH]c2nc(-c3ccccc3)nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C 26486558 AQAMSAQCNMJLLH-UYAOXDASSA-N 370.456 4.312 0 1 FIAF O=C(c1cc2c(ccc3cn[nH]c32)[nH]1)N1CCC(Cc2ccccc2)CC1 35259660 CUZVVTDJVSKNIQ-UHFFFAOYSA-N 358.445 4.139 0 1 FIAF COC(=O)c1c(F)cccc1-c1ccc(CNc2ccccn2)c(F)c1 36161469 QFANIHXSNQVFLE-UHFFFAOYSA-N 354.356 4.426 0 1 FIAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@]12O 38963131 KMEXOYVGFCBAQV-XVBHLLIISA-N 360.494 4.456 0 1 FIAF O=C1Nc2cc(C(F)(F)F)ccc2/C1=C1\C(=O)Nc2ccc(Cl)cc21 40414055 YIEBIFGRBUFCHU-BUHFOSPRSA-N 364.710 4.174 0 1 FIAF CCN(CC)c1ccc([C@@H]2CC(=O)c3cc(OC)c(OC)cc3O2)cc1 45353770 TYEDVPJERXVZQE-SFHVURJKSA-N 355.434 4.257 0 1 FIAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(-c4nn[nH]n4)cc23)cc1 72122052 YWUPYIUGYLYKIC-UHFFFAOYSA-N 372.476 4.048 0 1 FIAF CCOc1cccc(-c2nc(CNCc3ccc(OC)c(OC)c3)co2)c1 72141380 IOAISQUVBKPTQW-UHFFFAOYSA-N 368.433 4.047 0 1 FIAF CCCCCC[C@@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 95571736 GABASWHARKDMCS-CYBMUJFWSA-N 367.457 4.042 0 1 FIAF Cc1ccc(C(=O)c2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1C 136486928 OAAAWPOHPDUUAN-UHFFFAOYSA-N 369.424 4.177 0 1 FIAF CCCCNC(=O)[C@H]1c2ccccc2C(=O)N1C[C@H](C)c1ccc(F)cc1 143914134 VRMQGBZIVDYVLM-MGPUTAFESA-N 368.452 4.043 0 1 FIAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccc(Cl)c1Cl 253704898 QJUURDMOAUOHOG-QBSPYCMDSA-N 352.261 4.033 0 1 FIAF COc1c(-c2ccc(O)cc2)ccc(-c2ccc(C(=O)O)c(O)c2)c1OC 299851010 DQETUVDJAHMCGW-UHFFFAOYSA-N 366.369 4.147 0 1 FIAF Cc1cc(OCC(=O)O)cc2ccn(Cc3ccc(O)c(C(C)C)c3)c12 299855468 FFXFRSBACWMSRN-UHFFFAOYSA-N 353.418 4.290 0 1 FIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 586914424 HVEMIQBRWKKTGI-UHFFFAOYSA-N 374.352 4.060 0 1 FIAF O[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccccc1Cl 587059676 TZZSDDVKXFAQKL-NSHDSACASA-N 373.037 4.109 0 1 FIAF Cc1onc(-c2nc3cc(CO)ccc3[nH]2)c1COc1ccccc1Cl 587063483 OBTDHUYMXPNQKK-UHFFFAOYSA-N 369.808 4.251 0 1 FIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587096902 DXMZVMOJDWGWCH-UHFFFAOYSA-N 372.343 4.181 0 1 FIAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(N)c(N)cc3[nH]2)c1 587158438 FDSAKANKHYVOAO-UHFFFAOYSA-N 362.408 4.133 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(Cl)cnc2[nH]1 587168433 VXBDINIHSXTJDR-CQSZACIVSA-N 359.792 4.119 0 1 FIAF COc1ncc(F)cc1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 587176406 SJODCIHNIFQWEC-UHFFFAOYSA-N 361.682 4.325 0 1 FIAF CC(C)(C)OC(=O)N1[C@@H](c2cc3c4c(cccc4n2)CC3)COC1(C)C 587211207 BIKITGYMHYCCJB-QGZVFWFLSA-N 354.450 4.378 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc(OC(F)(F)F)c1)O2 587381676 HUGZUXPLTJUESF-OAHLLOKOSA-N 355.287 4.321 0 1 FIAF Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587406345 GKKWFERKMQXBRP-DEOSSOPVSA-N 369.420 4.339 0 1 FIAF COc1cc2c3c(c1)O[C@@](Cc1ccncc1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587435006 ASWWSOURJHHICB-RDPSFJRHSA-N 371.436 4.284 0 1 FIAF COc1cc2c3c(c1)O[C@](Cc1ccccn1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587437015 XCYVEUBAGCNNCZ-GBXCKJPGSA-N 371.436 4.284 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(Cc3ccccc3)c1)CC2=O 587474072 AJPZBWANCYLPGB-NRFANRHFSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccc3)nn1C)CC2=O 587476262 QXVQNBJNWIXPPX-NRFANRHFSA-N 362.429 4.452 0 1 FIAF COC(=O)/C=C/c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526120 RPCCHESEIRVAIH-LNYGYFNRSA-N 362.425 4.458 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2F)N1 587725138 BMTAEOAUWMNHBY-XYZCENFISA-N 368.221 4.231 0 1 FIAF Cc1c(Br)cc2nc(CC(=O)OCc3ccccc3)[nH]c2c1C 587782426 UETBQXMMBWELJQ-UHFFFAOYSA-N 373.250 4.228 0 1 FIAF Cc1c[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790102 HDAAUUAAVZKFEZ-DYZYQPBXSA-N 351.263 4.331 0 1 FIAF CCO[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587807909 FDDIDYCCALKAOU-OMXAPOSASA-N 356.279 4.153 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(C)(C)C)N1 587810725 LNGMUJLJLSUQCS-DYZYQPBXSA-N 356.279 4.343 0 1 FIAF CCc1ccc(C(=O)CCc2nc3cncc(Br)c3[nH]2)cc1 587955552 NEVDPFFVFNWPEB-UHFFFAOYSA-N 358.239 4.098 0 1 FIAF O=C(O)c1c(NC(=S)Nc2cccc(F)c2)sc2c1CCCC2 653717824 GLMUNQLNFUKYEH-UHFFFAOYSA-N 350.440 4.273 0 1 FIAF CNC(=O)c1cccc(-c2ccc3nc(O)nc(-c4ccccc4)c3c2)c1 1772615554 KTQVOJQFJYKQJP-UHFFFAOYSA-N 355.397 4.029 0 1 FIAF CCc1cnc(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)nc1 61905169 OGOHTNPFBYSPRP-AWEZNQCLSA-N 359.886 4.135 0 3 FIAF O=C(O)c1cccc(-c2ccc3c(c2)N(Cc2ccccc2)C(=O)COC3)c1 205218400 WOCUVYMTZDLFRN-UHFFFAOYSA-N 373.408 4.115 0 3 FIAF COc1ccc2oc(C(=O)O[C@@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)c(C)c2c1 4524871 KGMRGTIYOBTQRE-YDHLFZDLSA-N 373.449 4.085 0 1 FIAF CCCC[C@@H](Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)O 13864243 AYWCVFIRUJOPDQ-GOSISDBHSA-N 368.385 4.188 0 1 FIAF O=C(Nc1ccncc1)c1ccccc1Nc1ccnc(C(F)(F)F)c1 28374117 VRAPTZHGOVZRSG-UHFFFAOYSA-N 358.323 4.491 0 1 FIAF CO[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 28823875 KNLGXVUCQVUDIQ-XDHFQJGLSA-N 354.494 4.120 0 1 FIAF in-vitro CNC(=S)C1=CC(C)(C)Oc2ccc(C(F)(F)C(F)(F)F)cc21 29398343 FPEIHAGGQQATET-UHFFFAOYSA-N 351.340 4.442 0 1 FIAF CC[C@@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2CC 29461890 JVCVLJBXDJSIPA-HLVPYZJISA-N 351.874 4.056 0 1 FIAF CC[C@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 34347862 BQLQSIRUAFRJJC-QQJYNPJZSA-N 367.533 4.369 0 1 FIAF COc1ccc(C[C@H]2CCCCN2C(=O)c2cc3ccc(O)cc3[nH]2)cc1 35259670 IWGJPRKQGUYSRA-QGZVFWFLSA-N 364.445 4.120 0 1 FIAF CO[C@@H]1Cc2sccc2C2(CCN(CCCc3ccccc3)CC2)O1 40957647 IFOJZDCZRVEFLM-FQEVSTJZSA-N 357.519 4.217 0 1 FIAF Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)N2CCCC2)c1 82145590 QKKWWYJVJKUSRT-UHFFFAOYSA-N 350.466 4.043 0 1 FIAF CO[C@@H]1Cc2ccccc2[C@]2(CCN(CCCCc3ccccc3)C2)O1 84730014 GCZKQSXITDZRGB-XZOQPEGZSA-N 351.490 4.156 0 1 FIAF CC(=O)N1N=C(c2ccc(C)nc2)O[C@H]1c1ccc(-c2ccccc2)cc1 96935249 DTVLUOMIZMOLMC-QFIPXVFZSA-N 357.413 4.296 0 1 FIAF CN1[C@H]2CC[C@@H]1C[C@@H](n1cc(COc3ccccc3C3CCCC3)nn1)C2 100597518 UOVRWWBWZBOEJI-ACDBMABISA-N 366.509 4.312 0 1 FIAF Cn1nc(CC(F)F)c(Cl)c1C(=O)NCc1ccc(C(C)(C)C)cc1 103276816 VWPSRTCDKQHKDP-UHFFFAOYSA-N 369.843 4.109 0 1 FIAF C[C@@](c1ccccc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1 144722674 MPAASMLDUJPYML-FQEVSTJZSA-N 354.475 4.255 0 1 FIAF FC(F)(c1ccc2ncccc2c1)c1noc2ncc(-c3cc[nH]n3)cc12 166098803 JZMQGYPVUGXEDR-UHFFFAOYSA-N 363.327 4.301 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C1(CCOCC1)CC3 586992375 WBHWJLFPPSRRPT-UHFFFAOYSA-N 357.409 4.146 0 1 FIAF c1ccc(C2SCCS2)c(OCc2nc3cc4c(cc3[nH]2)OCO4)c1 587040576 IBPINQRDNUSBPC-UHFFFAOYSA-N 372.471 4.349 0 1 FIAF COc1ccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2n1 587063482 OAIUWTRZDYFDOU-UHFFFAOYSA-N 370.796 4.162 0 1 FIAF FC(F)(F)c1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 587074903 AEIVQOCYTMYJIW-UHFFFAOYSA-N 363.730 4.483 0 1 FIAF Cc1cnc(Cl)c2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c12 587147456 NYUVYFUMHLFCCO-UHFFFAOYSA-N 359.767 4.265 0 1 FIAF O=C(Nc1cccc(-c2nc3cc(F)cnc3[nH]2)c1)c1ccc(F)cc1 587163140 LHJNUAFZCQESCP-UHFFFAOYSA-N 350.328 4.155 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ncccc32)[C@H]1c1ccc(F)cc1 587343856 DSZDAKBJZGFROQ-RBBKRZOGSA-N 361.372 4.127 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(C)cc1F)O2 587381336 HESWKCLSWKCYKW-MRXNPFEDSA-N 364.214 4.494 0 1 FIAF O=C1C[C@@H](Cc2c(Cl)ncnc2Cl)Oc2c1ccc1c2CCCC1 587499086 KZOVRRRZDNHLRB-LLVKDONJSA-N 363.244 4.239 0 1 FIAF CCS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587533464 UERKSPHMXCTXSR-HXUWFJFHSA-N 370.470 4.066 0 1 FIAF C[C@]1(c2cc(Cl)ccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545504 GWOOUAXLLJORJM-FXAWDEMLSA-N 367.788 4.318 0 1 FIAF Cc1cccc2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n12 587586211 JIXBDAGJQICHDD-DENIHFKCSA-N 372.380 4.051 0 1 FIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(OC(F)(F)F)cc1 587649001 GCVHCAQYHPCUBR-UHFFFAOYSA-N 369.364 4.445 0 1 FIAF Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 587774524 WDTZKPQHAWUUSQ-BMLIUANNSA-N 374.257 4.168 0 1 FIAF CC(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587813108 ASFVQEBRIQVEPS-MLCYQJTMSA-N 362.242 4.414 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2ccccc2)N1 587814675 IATPDABOPVQPFC-ZMZPIMSZSA-N 362.242 4.221 0 1 FIAF CCOC(=O)c1ccc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 587931190 RGZBCVQLPVUFHT-QVKFZJNVSA-N 350.418 4.193 0 1 FIAF Cc1cccc([C@@]2(CCCCC(=O)O)NCCc3cc(C)c(F)cc32)c1 962086009 BUEDZORFVXNGQQ-JOCHJYFZSA-N 355.453 4.477 0 1 FIAF CCCCN1C(=O)[C@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2ccccc21 963102599 FUBSEJQBHOLDFD-MBSDFSHPSA-N 364.464 4.237 0 1 FIAF COc1cccc([C@@]2(c3ccc(C)cn3)NCCc3cc(Cl)ccc32)c1 963390813 MYBGQYCAUXIEKM-JOCHJYFZSA-N 364.876 4.490 0 1 FIAF COc1ccccc1OCCNC[C@@H]1CSC2(CCCCC2)S1 1772574760 SLTVSABFWNUVNA-OAHLLOKOSA-N 353.553 4.173 0 1 FIAF COc1cc2c(cc1OC)C(=O)[C@@H](C[C@H]1CCCN1Cc1ccccc1)C2 1772602234 QFOQWGITGJMMIG-RTBURBONSA-N 365.473 4.114 0 1 FIAF Cc1noc(C)c1-c1ccc(C(=O)NCCC(F)(F)F)c2occc12 61926077 DUFAORZTGORJPD-UHFFFAOYSA-N 352.312 4.387 0 3 FIAF Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N[C@@H](C(=O)O)C(C)C)(C4)C2)C3)cc1 12615473 KLXALZDCYZPMMX-VOZBEMBGSA-N 369.505 4.058 0 1 FIAF OCc1nc2ccc(NCc3ccccc3OCc3ccccc3)cc2[nH]1 13445574 XNEWRKALZSUPJQ-UHFFFAOYSA-N 359.429 4.246 0 1 FIAF O=C(O)[C@@H]1CCCN(CCOC2c3ccccc3C=Cc3ccccc32)C1 13729450 DHIVLYITIDUTFF-LJQANCHMSA-N 363.457 4.073 0 1 FIAF Nc1nc(N)c2c(Cl)c(NCc3ccc(Cl)c(Cl)c3)ccc2n1 29465098 SNGQYBKGJMHFNB-UHFFFAOYSA-N 368.655 4.367 0 1 FIAF CO[P@](C)(=O)OC[C@@H]1[C@@H](C=C(C)C)[C@@]1(C)CO[P@@](C)(=O)OC 31900641 BSAAHOUPSFVCBI-HGXJLXIJSA-N 354.320 4.177 0 1 FIAF COc1ccc2c3c1O[C@@H]1CC[C@H](C)[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 40690090 WBROHQFHMPKJBH-ZEKXXTJCSA-N 353.506 4.171 0 1 FIAF CCOc1ccc(Cc2nc3cc(NC(C)=O)ccc3n2CC2CC2)cc1 40873225 JBATWCPALJLYTL-UHFFFAOYSA-N 363.461 4.394 0 1 FIAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)C(C)C)cn1 143465751 YGDJJHLCQZGZIE-UHFFFAOYSA-N 365.433 4.104 0 1 FIAF NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145448599 LAAIYHTUJOTABI-HNNXBMFYSA-N 352.415 4.101 0 1 FIAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2cccc(F)c2)n(CC(F)(F)F)n1 299824578 LKMCYAKQUCOEKN-SKDRFNHKSA-N 356.323 4.352 0 1 FIAF NC(=O)[C@H]1C[C@H](c2ccccc2)Cc2c(-c3ccc(Cl)cc3)n[nH]c21 299866167 OOSHFYSJCPAETC-PBHICJAKSA-N 351.837 4.029 0 1 FIAF CCc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1CC 586879756 QNNMZRHVXQJWAU-UHFFFAOYSA-N 373.460 4.414 0 1 FIAF COC(=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1OC 587084566 CGZORVGNHXFVPN-UHFFFAOYSA-N 367.792 4.227 0 1 FIAF COC(=O)[C@@H]1c2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1(C)C 587096607 FKNWHUWKHKWFMY-SFHVURJKSA-N 357.409 4.302 0 1 FIAF CC[C@@H](C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccccc1 587273535 LJRBNUKECCGQKP-CYBMUJFWSA-N 374.234 4.459 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cccnc1Cl)O2 587379448 ISAFYHJHNLYACD-QGZVFWFLSA-N 353.809 4.123 0 1 FIAF CC[C@@H](C)Oc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587399693 JGRLESHBKQATGA-BFUOFWGJSA-N 355.434 4.470 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(F)cc(Br)c1)[C@@H](C2)C3=O 587429898 XLSGQTRBHUOPAV-SUMWQHHRSA-N 363.182 4.086 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCc4[nH]c5ccc(C)cc5c41)[C@@H](C2)C3=O 587438304 NEJQDMJYHUACTF-QMHKHESXSA-N 359.425 4.464 0 1 FIAF Nc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587504277 QTRATTXKSGFIIH-INIZCTEOSA-N 373.250 4.012 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1O 587547872 NXKMEERXMUPPIS-FXAWDEMLSA-N 368.772 4.454 0 1 FIAF CSC[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587704329 IQQBIDMXBPBIMD-JMCQJSRRSA-N 372.225 4.243 0 1 FIAF CSC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587704330 IQQBIDMXBPBIMD-JVXZTZIISA-N 372.225 4.243 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(N)cccc2F)N1 587722924 UMWZULDGMDXCEI-HUTHGQBESA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(F)cccc32)N1 587740519 XSGAJOROCLAMBX-XTZNXHDOSA-N 364.233 4.451 0 1 FIAF CCCCn1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587762436 DRPATHQQUPAZAE-APPDUMDISA-N 366.278 4.208 0 1 FIAF CC(C)CN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587766382 GMZKTRLOJZOJAO-CYBMUJFWSA-N 369.322 4.070 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nccnc3c2)N1 587779478 SQQHLFQENFHWJM-YPMLDQLKSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(C)(C)C(=O)O)N1 587831259 WULPEKNGCVHRFE-BMLIUANNSA-N 372.278 4.229 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCOC3)CC2)N1 587836347 SVBCPWNYHMXKKP-KAMYHZANSA-N 368.290 4.298 0 1 FIAF CCC1(CC)OC[C@H]([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)O1 587843859 UTUBXGGCROMGJW-WNMQOVRZSA-N 372.278 4.095 0 1 FIAF Fc1cnc(Br)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c12 587951101 JAOIKMIEIDHOJT-UHFFFAOYSA-N 362.202 4.458 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC(C)=O)(C(F)(F)C(F)(F)F)N1 962945078 IUAXGMKZIWNQGT-MEDUHNTESA-N 374.353 4.464 0 1 FIAF C[C@H](C[C@]1(c2ccccc2)c2c(F)cccc2C[C@@H]2CCCN21)C(=O)O 963106808 NQWANKKPMLGBGB-QRFQSNJMSA-N 353.437 4.201 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(-n2cncn2)c(F)c1 963256156 AQZCOFMVFHZCQT-YCRPNKLZSA-N 350.441 4.152 0 1 FIAF O=C(c1ccccc1Br)[C@@H]1NCCc2cccc(Cl)c21 963389555 BLCMABJUYYCTGC-OAHLLOKOSA-N 350.643 4.172 0 1 FIAF CCCc1nn(C)c2c(NCc3ccco3)nc(/C=C/c3ccco3)nc12 1857571145 BDYAOMQRMGHIPR-MDZDMXLPSA-N 363.421 4.284 0 1 FIAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC(C)C)cc12 1857572545 BZQSZJRUXYSIGS-WWLNLUSPSA-N 354.494 4.176 0 1 FIAF CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)o2)N2C(=N1)Nc1ccccc12 1911586231 FOSSZZQZAMFZEK-SFHVURJKSA-N 351.406 4.156 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@@]2(CO)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@H]12 2356765944 ZUNPKKNJINJWLQ-BDHVOXNPSA-N 360.494 4.242 0 1 FIAF COC(=O)c1cc2c([nH]c3ccc(NC(=O)C4CCCCC4)cc32)c(C)n1 2382227411 VSXAGLGGRLTOOF-UHFFFAOYSA-N 365.433 4.330 0 1 FIAF O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cccs1 169302701 OSZKBAINWHIPLR-AWEZNQCLSA-N 359.401 4.019 0 3 FIAF C[S@@](=O)c1ccc([C@@H](Nc2nccs2)C(=O)c2ccc(F)cc2)cc1 12352383 QGDUYZMBLKACFR-CPJLOUKISA-N 374.462 4.056 0 1 FIAF COc1ccc(C(=O)CCCCCCC(=O)Nc2ccccc2N)cc1 13588611 PEDLNYIPTFYEHK-UHFFFAOYSA-N 354.450 4.439 0 1 FIAF CN1CCC(c2noc3ccc(NC(=O)c4ccc(F)cc4F)cc23)CC1 28392098 XMLPQEYFKNHQHR-UHFFFAOYSA-N 371.387 4.168 0 1 FIAF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 40690367 SGGGMRQESKILIB-NZQABMISSA-N 370.489 4.466 0 1 FIAF Cc1cccc(Nc2nccc3c2CN(C(=O)c2cc(C)n(C)c2C)CC3)c1 40939165 VEYMQTSSQVEJQO-UHFFFAOYSA-N 374.488 4.287 0 1 FIAF O=C(N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1ccccc1F 45228097 BLWIMNLEJJNITC-AWEZNQCLSA-N 369.827 4.036 0 1 FIAF CCc1ccc2/c(=N/C(=O)Nc3cccc(C(F)(F)F)n3)cc[nH]c2c1 63540310 WRZNQKSBJJKEBD-UHFFFAOYSA-N 360.339 4.277 0 1 FIAF O=C(NCc1cccnc1Cl)c1cncc(-c2ccc(Cl)cc2)c1 64526777 JJLXCDLYMWHMIF-UHFFFAOYSA-N 358.228 4.380 0 1 FIAF c1cc(Oc2cncc(NCC3CCCCC3)n2)cc(N2CCOCC2)c1 82068562 HOIXCZZAEOLPDK-UHFFFAOYSA-N 368.481 4.098 0 1 FIAF Cc1cccc(NC(=O)c2nn(C)c(-c3ccc(C(F)(F)F)cc3)c2C)n1 95604982 LQCNJGKMVNOKBA-UHFFFAOYSA-N 374.366 4.370 0 1 FIAF C/N=c1\c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(O)oc2ccccc12 103532153 NHJWDWXEMVQRNM-NMWGTECJSA-N 366.461 4.214 0 1 FIAF CCCc1cc(=O)oc2cc(N3CCSCC3)c3c(c12)OC(C)(C)C=C3 169342079 GPBPGZIIUTXUEC-UHFFFAOYSA-N 371.502 4.483 0 1 FIAF CCC[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F 204405816 RYVIXJSSNGLVSL-CQSZACIVSA-N 356.363 4.157 0 1 FIAF COc1c2c(c3ccc(=O)oc3c1/C=C\C(C)(C)OC)OC(C)(C)C=C2 207461363 DOXLEULKLKKQAR-LUAWRHEFSA-N 356.418 4.424 0 1 FIAF COc1cncc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 218343865 LFEBZBRJSBXUTC-HXUWFJFHSA-N 358.401 4.003 0 1 FIAF Cc1c(Br)ccc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc12 586916691 UMHIWYPQFUUWEL-UHFFFAOYSA-N 355.191 4.407 0 1 FIAF Cc1cnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 586983751 BWUTVTRVTSOPPG-INIZCTEOSA-N 371.282 4.214 0 1 FIAF Cc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1C 587074792 ZDKQDCNVOJGKRY-UHFFFAOYSA-N 351.841 4.448 0 1 FIAF Oc1c(Br)ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080762 PJBQQMBJCCBYTC-LBPRGKRZSA-N 365.614 4.361 0 1 FIAF Cc1c(Br)ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c12 587117935 MJHXHZYSQPPGDU-UHFFFAOYSA-N 359.149 4.053 0 1 FIAF CC(=O)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136802 WCIVMDRZMRIWAO-UHFFFAOYSA-N 351.150 4.473 0 1 FIAF Oc1nc2cc3nc([C@H](Nc4ccccc4)c4ccccc4F)[nH]c3cc2[nH]1 587149818 LYNHQLFLVGARDW-LJQANCHMSA-N 373.391 4.485 0 1 FIAF CCCc1nc(-c2nc3cc(C)c(OC)cc3[nH]2)nn1-c1ccccc1F 587155272 CVPCAIFQXKGQCT-UHFFFAOYSA-N 365.412 4.219 0 1 FIAF C[C@]1(C[C@@H]2CCCCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351214 ZGSCRNKKMJCMIQ-SAWYMBPVSA-N 369.436 4.181 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C)(C(=O)OC(C)(C)C)CC1)O2 587399291 ICBAYRLEEIYOGY-UHFFFAOYSA-N 359.466 4.203 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1cnc(Cl)s1)O2 587414830 WIOXIYLURIJAPB-INIZCTEOSA-N 373.865 4.243 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cnc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O 587422744 QLGSPLPMKYFYRC-FVMDXXJSSA-N 369.726 4.251 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCOC)CC2=O 587477130 FDJUHOLBZJKOOE-OAQYLSRUSA-N 356.418 4.208 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(cccc3OC)C1)CC2=O 587485135 ZRNUUSQXXRNQDO-JOCHJYFZSA-N 352.430 4.246 0 1 FIAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1OC 587510295 KGCOHLLIOIKNMH-QFIPXVFZSA-N 367.445 4.045 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)nc1 587551422 FFXRLASFPDPPQD-LPHOPBHVSA-N 353.761 4.144 0 1 FIAF Cc1cncc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587588118 RWZYVMWPRIVNTG-ICSRJNTNSA-N 361.397 4.059 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccoc2cn1 587588319 SPIKZYWITQFOKQ-GHTZIAJQSA-N 359.337 4.236 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2N)N1 587693439 DGGMMGRMFOAVIT-ZKANADHPSA-N 369.665 4.447 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccnc2Cl)N1 587714666 AYRLQXDWLVGOKQ-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(F)c(F)c2)N1 587715514 HZEUSGSEXPJNOP-GYKQLYQFSA-N 372.184 4.196 0 1 FIAF CNc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587743006 MWLHWSBWKCRCTO-ADLMAVQZSA-N 363.274 4.428 0 1 FIAF Cc1c[nH]c2c1[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587801253 FFWHLMKOAPBJAY-VOJFVSQTSA-N 363.274 4.339 0 1 FIAF CC[C@H](CCC(=O)OC)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587807178 LJXUSMJYJWFTCQ-AGKHESDQSA-N 372.278 4.143 0 1 FIAF CC[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587816555 AENLFFHWDWVMTA-RVPKQNPDSA-N 354.263 4.097 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COC(C)C 587858545 JRVBYODPMNVLQZ-UHFFFAOYSA-N 357.237 4.321 0 1 FIAF COc1c(C)[nH]c2c(c1=O)[C@@H](CCCCCc1ccccc1)CC[C@H]2O 2382258335 DPZTYYPTDQGBLK-ZWKOTPCHSA-N 355.478 4.406 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4c5ccoc5CC[C@]4(C)[C@@H]2CC[C@@H]1C3 3978765 PTGGVIKFNQSFBY-NLEGBIGTSA-N 358.478 4.210 0 3 FIAF in-vitro CC1(C)c2ccccc2C(C)(C)[C@H](C(=O)Nc2ccccc2)[C@@H]1C(=O)O 1619896 HDLLAELPXJDNCH-ZWKOTPCHSA-N 351.446 4.211 0 1 FIAF COc1ccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)cc1 13534061 UXFKANSLEGFKHX-UHFFFAOYSA-N 355.365 4.005 0 1 FIAF O=c1c(Cc2ccccc2)c(Cc2ccc(O)cc2)oc2cc(O)ccc12 13797589 IXNQRWRQSPFVDY-UHFFFAOYSA-N 358.393 4.386 0 1 FIAF CCCN(CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)c1cccnc1 13975506 SDOVHKUEMQAISV-GOSISDBHSA-N 353.293 4.377 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C=C(CCCCC(=O)O)C[C@@H]21 14952837 JANVYOZZTKSZGN-YIUARRHFSA-N 350.499 4.072 0 1 FIAF CCc1ccc2[nH]c3c(c2c1)CCN[C@@H]3Cc1ccc(OC)c(OC)c1 26674943 YOHPOVHPYWXEQR-LJQANCHMSA-N 350.462 4.177 0 1 FIAF O=C(O)CC/C=C\C[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1O 27102516 MYZJPBBAWWEAPY-VMOCFESUSA-N 365.473 4.419 0 1 FIAF CC(C)Oc1cc(NC2(CCCN)CC2)c2nc(C(F)(F)F)ccc2n1 28826055 KPYYTDPOFMMDHV-UHFFFAOYSA-N 368.403 4.119 0 1 FIAF O=C(Cc1ccsc1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 29042748 ORGKYRFUODIKPL-RTWAWAEBSA-N 368.546 4.161 0 1 FIAF C[C@@H](C(=O)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 36153001 SXZYCRORGALMIH-OSAWRWAZSA-N 361.526 4.187 0 1 FIAF COc1cc2c(cc1OC)C(=O)C[C@@H](c1cccc(N3CCCC3)c1)O2 45340126 BOGQEIFPZQGCJA-SFHVURJKSA-N 353.418 4.011 0 1 FIAF CCn1ccc2cc(-c3cnc(N)nc3-c3cc(OC)ccc3O)ccc21 71316071 OJYOKHOIFSCCDX-UHFFFAOYSA-N 360.417 4.082 0 1 FIAF COc1ccc(-c2cc(C[C@@H]3CCCC3=O)ccc2[C@@H](C)C(=O)O)cc1 72107430 NWNGLICJCGYJBZ-PBHICJAKSA-N 352.430 4.462 0 1 FIAF O=C(c1c(-c2ccccc2)ccn1C(=O)c1ccccc1)N1CCCCC1 72175999 ACZUGMBLLTVHAC-UHFFFAOYSA-N 358.441 4.470 0 1 FIAF O=C1CSC(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)=N1 73315055 VTXQTIHBNGSDQB-MRXNPFEDSA-N 355.850 4.121 0 1 FIAF O=C(Nc1nc(-c2ccncc2)cs1)N[C@@H]1CCCc2ccccc21 167631417 SHNMJZHMTYFQSN-MRXNPFEDSA-N 350.447 4.404 0 1 FIAF Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3nc(Cl)ccc23)cc1 169311777 DUOFQEWEOBGDKU-UHFFFAOYSA-N 365.820 4.176 0 1 FIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714161 OKXWSKOAAFFTOJ-HZOWKKAVSA-N 372.553 4.127 0 1 FIAF CC(C)(SCc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)O 586959814 QXDUXNXSDJVLIP-UHFFFAOYSA-N 363.664 4.075 0 1 FIAF CN(C)CCOc1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073272 JCRMXHJVZQAGQB-UHFFFAOYSA-N 369.896 4.431 0 1 FIAF C[C@@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 587154806 HNXWPGFCUGJFPI-KRWDZBQOSA-N 365.742 4.425 0 1 FIAF NC(=O)Nc1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587242424 SGTCQVICBHJWAJ-UHFFFAOYSA-N 365.618 4.136 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1C)[C@@H](C2)C3=O 587412663 JQLOPTFZBDXMFW-KBXCAEBGSA-N 359.219 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC[C@H]3CO3)c1)CC2=O 587494549 YRRXCANUJXGCRB-KSFYIVLOSA-N 368.429 4.003 0 1 FIAF C[C@]1(c2ccc(Cl)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551075 CSWHOZLTNHVHPG-YLJYHZDGSA-N 367.788 4.318 0 1 FIAF Cc1ccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc2c1 587584894 BNTUIQYVGTZSKU-KNQAVFIVSA-N 372.380 4.051 0 1 FIAF C[C@@H]1CC(C)(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587605302 YRPQCUCJDJGYIN-OLPMXTGOSA-N 366.413 4.118 0 1 FIAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCN(C)CC1 587628253 QCWZNPPBKDKVRD-UHFFFAOYSA-N 365.321 4.266 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccn2)N1 587698697 IZXXWNISRSMNAK-VXJOIVPMSA-N 355.638 4.260 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)c(F)c2)N1 587726703 YYSFYINLEWFFFA-XLFHBGCDSA-N 367.237 4.107 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN2CCCCC2)N1 587768405 VBFOQYLTZGGRSE-ACJLOTCBSA-N 369.322 4.214 0 1 FIAF COc1cc(C)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587944163 ZBFCWIREKHVPLH-UHFFFAOYSA-N 373.355 4.135 0 1 FIAF CC1=Nc2ncnn2[C@H](c2ccc(F)cc2)/C1=C(\O)OC1CCCCC1 618005638 QJHHQJCXRMTULR-GROYHEBESA-N 356.401 4.232 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2nc3cc(F)c(F)cc3[nH]2)N1 962947477 NNABZEFLXGVANP-OVWNDWIMSA-N 352.388 4.336 0 1 FIAF COc1ccc(-c2ccc([C@H]3NCCc4c(C(=O)O)cccc43)s2)cc1 963128474 ANZCSCIUGALELV-FQEVSTJZSA-N 365.454 4.357 0 1 FIAF Cc1cc(Cl)ccc1O[C@H](C)[C@]1(C)NCCc2c(C(=O)O)cccc21 963135050 WAGVGDZXUSUIIE-XCLFUZPHSA-N 359.853 4.175 0 1 FIAF Cc1ccc([C@]2(CCCCCC(=O)O)NCCc3ccc(O)cc32)cc1C 963339785 BWSWTLOBVIKAMR-QHCPKHFHSA-N 367.489 4.433 0 1 FIAF O[C@@]1(Cc2ccccc2Cl)c2c(Cl)ccc(Cl)c2C2=NCCN21 1857545293 JQLANYIWWKNBRG-KRWDZBQOSA-N 367.663 4.110 0 1 FIAF FC(F)(F)c1cccc(-c2nc3cc(Nc4ccncn4)ncc3[nH]2)c1 1857755352 USXMXAVGXTVKOW-UHFFFAOYSA-N 356.311 4.177 0 1 FIAF COc1ccccc1C[C@@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1 2382250573 GWXWHLPMWSOOGG-OUPRXKBMSA-N 365.517 4.000 0 1 FIAF COCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(F)cc1Cl 2483389 NAGATICEWHYJBO-UHFFFAOYSA-N 368.836 4.198 0 1 FIAF O=C(O)c1c(O)c([C@@H]2Cc3ccccc32)nc2c(C(F)(F)F)cccc12 58591338 SSSFQYWCPJBPKK-GFCCVEGCSA-N 359.303 4.345 0 1 FIAF N[C@@H](c1csc(Nc2nccc(C(F)(F)F)n2)n1)C1CCCCC1 61905613 DEWPVJWTVLAENP-GFCCVEGCSA-N 357.405 4.276 0 3 FIAF CC(=O)Oc1ccc([C@@H]2c3cc(OC(C)=O)ccc3C[C@H](C)[C@@H]2C)cc1 2356337832 DQNBPZNXXFZFRR-FBJOKTGGSA-N 352.430 4.497 0 1 FIAF C[C@H](CCc1ccc(OCc2ccc3ccccc3n2)cc1)Cc1nnn[nH]1 26673092 FJOGJBNZYBZBSZ-MRXNPFEDSA-N 373.460 4.138 0 1 FIAF CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1 64527105 XBODVQKZKVSVAE-OWSLCNJRSA-N 373.493 4.098 0 1 FIAF N=C1C(=S)N(c2ccc(Br)cc2)C(=O)N1Cc1ccccc1 69061590 FCABADMUQKTQDK-UHFFFAOYSA-N 374.263 4.196 0 1 FIAF C[C@H](C(=O)O)N(C)CCOc1ccccc1Sc1cccc(Cl)c1 40567343 LDWWIPUCUNFEAR-CYBMUJFWSA-N 365.882 4.275 0 1 FIAF C[C@@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 195239798 CEQYMIBPHSHBNB-YZBIMUAFSA-N 356.462 4.076 0 1 FIAF O=C(C[C@@H](C(=O)Nc1ccccc1)N1CCCCC1)c1ccc(Cl)cc1 45355426 KLNRXPHQASERFK-IBGZPJMESA-N 370.880 4.406 0 1 FIAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc4[nH]ccc4c3)C[C@H]1C=N2 49808669 CYMDHSSGGHSWFV-INIZCTEOSA-N 373.412 4.157 0 1 FIAF CS(=O)(=O)c1cccc(Nc2nccc3[nH]c(-c4ccsc4)cc23)c1 82079423 ADRKYIGHPSRPCR-UHFFFAOYSA-N 369.471 4.439 0 1 FIAF CCOc1ccc(CCNc2cc(-c3cc(F)ccc3OC)ncn2)cc1 82162252 AOYGLAJXRHRIJF-UHFFFAOYSA-N 367.424 4.345 0 1 FIAF CC(C)CCN1C[C@@H]2CC[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 254005632 LUMJFYQEUQLNSP-DOPJRALCSA-N 369.336 4.480 0 1 FIAF CCOc1ccccc1NC(=O)CSc1c[nH]c2cccc(OC)c12 2382239289 RDIIBRXFUOEYIM-UHFFFAOYSA-N 356.447 4.306 0 1 FIAF COc1ccc([C@@H]2CC(=O)N[C@H]3CCCC[C@H]3N2Cc2ccccc2)cc1 299845518 CQLOYQHVHMMETF-BDTNDASRSA-N 364.489 4.070 0 1 FIAF CCN(Cc1cc(=O)n2c(C3CCC3)c(C)sc2n1)c1ccc(F)cc1 653848340 ZJGHZRKUJXMSAA-UHFFFAOYSA-N 371.481 4.498 0 1 FIAF COC1=Cc2nc3c(C)ccc4c3c(c2[C@@H](C(=O)O)C1)-c1ccccc1C4=O 587099243 XCVMEMLRRUKCAR-INIZCTEOSA-N 371.392 4.314 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(Cc2ccccc2)C[C@@H]1C 587481104 XUVGUAUIQDHGPR-HJPURHCSSA-N 365.473 4.201 0 1 FIAF COc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587806591 KDTQOSJDTBCOHA-ZMZPIMSZSA-N 364.258 4.395 0 1 FIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(CCO)ccc3[nH]2)cc1 586879859 SPKVDIHDBZUOSL-UHFFFAOYSA-N 372.424 4.438 0 1 FIAF FC(F)(F)Oc1ccc2c(-c3nc4ncc(Cl)cc4[nH]3)n[nH]c2c1 587126736 FZIWHZPFPIKXOX-UHFFFAOYSA-N 353.691 4.053 0 1 FIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 587783917 CCAHJTAHVSOMDW-GHMZBOCLSA-N 362.216 4.208 0 1 FIAF CCCc1sc(=N)[nH]c1-c1nc2cc(Br)cc(C)c2[nH]1 587013567 QXORXJLAWXXMAN-UHFFFAOYSA-N 351.273 4.122 0 1 FIAF Cc1cc2c(Br)ccc(-c3nc4nc(Cl)c[nH]c-4n3)c2o1 587003142 FXCVLDKEKLLXQG-UHFFFAOYSA-N 363.602 4.442 0 1 FIAF Cc1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 587000810 KXWZJWWRZHAROX-AWEZNQCLSA-N 369.266 4.358 0 1 FIAF COC(=O)CCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587809536 RWTGFNUCKVAQIC-FZMZJTMJSA-N 372.278 4.287 0 1 FIAF COc1ccsc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610471 CIQOSTZLKZWHJT-UZLBHIALSA-N 368.410 4.339 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cnccc3[nH]2)N1 587808325 YICQHVVPTSZACY-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF COc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587039718 FAPRKUXVWODBFS-DOTOQJQBSA-N 359.882 4.171 0 1 FIAF COC(=O)c1ccnc2[nH]c(-c3cccc(-c4ccc(C(C)=O)cc4)c3)nc12 586879077 DGUMQXKXJXGNAG-UHFFFAOYSA-N 371.396 4.281 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCN(C)C)(c1cccs1)CC2=O 587495389 QSLXVDBWKIIQBS-HXUWFJFHSA-N 359.491 4.219 0 1 FIAF C[C@@]1(c2cc(C=O)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613852 PKFRARQZWCQDSF-XLIONFOSSA-N 366.394 4.143 0 1 FIAF Nc1cccc(Br)c1-n1c(O)cc(C2CCCCC2)c1O 587937299 PMJPSCAFGOBRSS-UHFFFAOYSA-N 351.244 4.281 0 1 FIAF Fc1ccc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 587168810 NGWHIWAYUCEAII-UHFFFAOYSA-N 356.582 4.092 0 1 FIAF N[C@H](N=O)c1ccc(NC(=O)OC2c3ccccc3-c3ccccc32)nc1 957756865 WDAKAVGKSVOQBJ-LJQANCHMSA-N 360.373 4.124 0 1 FIAF CC(C)c1nn(C)c2c1[C@@](C)(c1c(F)cccc1C(F)(F)F)NCC2 962907706 IIMHZOXPWDFEIW-QGZVFWFLSA-N 355.379 4.111 0 1 FIAF CCOc1ccc(-c2n[nH]cc2[C@H]2NCCc3cc(C)c(F)cc32)cc1 962147331 OUHBMNCNLDUCNV-NRFANRHFSA-N 351.425 4.158 0 1 FIAF CCOc1c(Cl)cc(NC(=O)c2ccc(C(=O)O)cc2)cc1Cl 116231262 FTFOHDMOBCZCMA-UHFFFAOYSA-N 354.189 4.343 0 1 FIAF COc1cc2c(cc1OC)C(=O)[C@H](C[C@H]1CCCN1Cc1ccccc1)C2 1772602233 QFOQWGITGJMMIG-RBUKOAKNSA-N 365.473 4.114 0 1 FIAF O=C(O[C@@H]1CCCc2nc(Nc3ccc(F)cc3)sc21)n1ccnc1 1857771882 UAJWEEWNVYHCNA-CQSZACIVSA-N 358.398 4.285 0 1 FIAF C=C1CC[C@H](C)[C@@](C)(CCC2=C[C@@H](OC)OC2=O)C/C=C\C=C/1C(=O)O 14717565 AQUDFOQNDLVDOV-FPUOUJMDSA-N 360.450 4.172 0 1 FIAF O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 1903559 PXZNKAFWRZAUAS-UHFFFAOYSA-N 373.387 4.045 0 1 FIAF investigational CC1CCC(Nc2nc3ccccc3c3nc(-c4cccnc4)nn23)CC1 6805440 DRHJFPKWRALFGH-UHFFFAOYSA-N 358.449 4.330 0 1 FIAF Cc1ccc(-c2ncn3c2CN(C(=O)N2CCCC2)c2ccccc2-3)cc1 13758883 CBLJUXMETSFZIV-UHFFFAOYSA-N 358.445 4.384 0 1 FIAF C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2OC(C)=O 14508930 HTNGGVARAVBBLP-YDGKCNFYSA-N 358.478 4.185 0 1 FIAF biogenic COc1ccc2c(=O)c(-c3ccccc3)c(Sc3ncc[nH]3)oc2c1 14946798 KBNOMKZSDGZHER-UHFFFAOYSA-N 350.399 4.343 0 1 FIAF CC(=O)OC[C@@H]1[C@H]2CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]13COC2=O 15060647 DJRYIOKKJZVDDD-KVBTWZCSSA-N 362.510 4.362 0 1 FIAF biogenic CS(=O)(=O)c1ccc(-c2cc(C(=O)O)ccc2-c2ccccc2)cc1 28020106 ZOHVOQTYCQKZLK-UHFFFAOYSA-N 352.411 4.122 0 1 FIAF NCCN(CCN)CCNC1CCCCCCCCCCCCCCC1 28240056 HTHRFEUNWZIDDQ-UHFFFAOYSA-N 368.654 4.029 0 1 FIAF Nc1nc(N)c2c(CSc3cccc(Oc4ccccc4)c3)coc2n1 39178788 WYMZGIDITHNVHP-UHFFFAOYSA-N 364.430 4.472 0 1 FIAF Cc1cccc(Nc2cc(Cl)nc(SC(C)(C)C(=O)O)n2)c1C 40392997 CWFCVRFNGHBTKX-UHFFFAOYSA-N 351.859 4.446 0 1 FIAF CN1CC[C@]2(Cc3ccncc3)c3ccccc3N(Cc3ccccc3)[C@H]12 40845337 BRGRMLXHRNEHCQ-ZEQRLZLVSA-N 355.485 4.244 0 1 FIAF COc1cccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)c1 58608411 HHXLXZOTIOIDQY-SFHVURJKSA-N 368.433 4.000 0 1 FIAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCNC(=O)C1CC1 72124837 JEPSINGWMWRNJJ-FQEVSTJZSA-N 367.880 4.321 0 1 FIAF CCCOc1ccccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1 103237067 NNABYHMOVRMMJL-UHFFFAOYSA-N 363.461 4.486 0 1 FIAF CCCN(CCC)CCCn1cnc2c3cc(Cl)ccc3nc-2c1O 103904266 CZRRTAYQTBFMHD-UHFFFAOYSA-N 360.889 4.407 0 1 FIAF CCCC[C@@H](O)C1=CC[C@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@@H]3C1 194997533 DJYWGBMTZMYDEB-GPJHCHHRSA-N 355.522 4.081 0 1 FIAF Clc1c[nH]c2nc(-c3ccc(COc4ccccc4Cl)o3)nc-2n1 587064235 FXPBPIFBRFLXCL-UHFFFAOYSA-N 361.188 4.450 0 1 FIAF COc1ccc(Cl)c(-c2ccc(-c3nc4cncnc4[nH]3)cc2F)c1 587142730 AHFCUYAJWMIQPY-UHFFFAOYSA-N 354.772 4.488 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)ccnc1Cl)[C@@H](C2)C3=O 587422277 SPAHIGWLVCVTNP-BJOHPYRUSA-N 369.726 4.251 0 1 FIAF COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587521322 BUHNDVZBVILIPN-HXUWFJFHSA-N 350.414 4.367 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cc(F)cc1F 587557056 LIEXGNCAGIGZIH-FXAWDEMLSA-N 370.307 4.079 0 1 FIAF COc1c(F)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587718732 JHYFNXWZDYWFJZ-FVMDXXJSSA-N 368.221 4.360 0 1 FIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1 587746600 HLTLAOGTXVFBIA-ZMZPIMSZSA-N 363.274 4.277 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cnn(C)c23)N1 587762208 XMXVCYIXHPKTSK-BTDLBPIBSA-N 374.257 4.099 0 1 FIAF COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccncc2)cc1 653731195 DVJDNDRDULERKG-OAQYLSRUSA-N 357.413 4.082 0 1 FIAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C(N)=O)cc2)n1 653748718 MFLFBUDYCYIDMI-LJQANCHMSA-N 358.445 4.040 0 1 FIAF C[C@]1(CC(=O)c2cccnc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962714826 RLNMNCZKWNCYOW-IERDGZPVSA-N 370.493 4.073 0 1 FIAF CC(C)(C)O[C@@H]1C[C@]2(c3c(F)cccc3C[C@H]3CCCN32)[C@H]1n1cccn1 963108747 YIHJOLGWXHXUQO-MDRHQERFSA-N 369.484 4.067 0 1 FIAF Cc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1c(F)cccc1F 1857562370 LTEVRAKOWXNQTK-UHFFFAOYSA-N 364.355 4.259 0 1 FIAF Cc1ccc(CN2CCOC[C@@H]2c2ncc(-c3ccc(F)cc3F)[nH]2)cc1 2356302603 ZZIMGNQZVTVDHI-HXUWFJFHSA-N 369.415 4.237 0 1 FIAF COC(=O)CC=C1CC2=CC[C@]3(C)C(=O)CC[C@]3(C)[C@@H]2CC[C@@H]1C(C)(C)O 2356678716 QHOOFRIKIADFKW-OUVAMTEUSA-N 374.521 4.369 0 1 FIAF C#C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3CCC23OCCO3)C1 6200125 VCQVEQNCPAVVLX-ZFELAIKPSA-N 358.522 4.137 0 1 FIAF biogenic OC[C@]1(Cc2ccccc2F)CCCN(Cc2ccc3ccccc3n2)C1 11661560 PITCZTJEGNGQAM-QHCPKHFHSA-N 364.464 4.191 0 1 FIAF CCOc1cc(-c2cc3c(=O)[nH]c(C)nc3cc2C(C)C)ccc1OC 13679452 SMRGWACWHWFFKL-UHFFFAOYSA-N 352.434 4.429 0 1 FIAF COc1ccccc1CNCc1cccn1-c1sc(C)c(C)c1C(=O)O 21935425 USFYFIAXXGROSP-UHFFFAOYSA-N 370.474 4.152 0 1 FIAF OC[C@@H](O)COc1ccc([C@H]2Oc3ccccc3C=C2c2ccccc2)cc1 26947966 MONAQZFBYNPVGC-HYBUGGRVSA-N 374.436 4.093 0 1 FIAF COc1ccc(-c2ncccc2-c2cc(OC)c(OC)c(OC)c2)cc1O 28118495 WVXCIWZLVNAKOK-UHFFFAOYSA-N 367.401 4.156 0 1 FIAF CCCCO[P@](=O)(NCCC)[C@@H](C)NC(=O)OCc1ccccc1 40876598 IOYMPWQDMZBKRA-OWJWWREXSA-N 356.403 4.268 0 1 FIAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)C1CCCCCC1 45255725 VFBDLAVMFPXUJE-UHFFFAOYSA-N 354.494 4.127 0 1 FIAF CNC(=O)c1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1 45337802 DJMUWSRTXHJCMM-HXUWFJFHSA-N 354.413 4.104 0 1 FIAF CCCOc1ccc(-c2cc(C(=O)OC)c3cc(OC)ccc3n2)cc1 72110337 RXKIZXMHZCVEFH-UHFFFAOYSA-N 351.402 4.486 0 1 FIAF COc1ccccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-] 73165849 ODGPMGCGKPOHFA-UHFFFAOYSA-N 364.351 4.489 0 1 FIAF O=C(CCC(F)(F)F)N1CCC(c2cc(-c3ccccc3)no2)CC1 82152032 ZRVIMXXZZRKXEW-UHFFFAOYSA-N 352.356 4.390 0 1 FIAF N[C@@H]1CCCC[C@H]1Nc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 95920921 LODPYXJMYAQIRB-WOJBJXKFSA-N 357.461 4.231 0 1 FIAF in-vitro CC1(C)C(=O)Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc21 96169313 MSLKWXLOEZVISB-IRLDBZIGSA-N 373.496 4.424 0 1 FIAF O=C(O)c1ccc(CSc2cc(C(F)(F)F)nc(C3CC3)n2)cc1 102679123 NAYOBKDTKUYFEX-UHFFFAOYSA-N 354.353 4.363 0 1 FIAF CN[C@@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 149991883 GUEFWAUMLRUJFE-NSHDSACASA-N 350.443 4.396 0 1 FIAF Cc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2n1 586976264 NFOVQNBYWKVPFH-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF COC(=O)CCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586991391 JWLCZBXTBBOPJQ-UHFFFAOYSA-N 361.397 4.038 0 1 FIAF N[C@@H](N=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587016805 CEPKQNFWWZBCPZ-AWEZNQCLSA-N 370.825 4.126 0 1 FIAF Cc1c(Br)ccc2nc(CSc3nnc(S)s3)[nH]c12 587026115 UVPKJMVXAASIET-UHFFFAOYSA-N 373.326 4.066 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068159 JFKKAXTVWSGWJG-UHFFFAOYSA-N 352.781 4.060 0 1 FIAF CN(C)C(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073578 LMOZMCBMNUNJRH-UHFFFAOYSA-N 353.853 4.192 0 1 FIAF Cc1ccc2c3c(cc(CC(=O)OCC(C)C)nc13)-c1ccccc1C2=O 587097629 RXKXSKQAAPDQMZ-UHFFFAOYSA-N 359.425 4.496 0 1 FIAF COc1cc(OC)c2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 587134781 OOICJHRUABZAOD-ARJAWSKDSA-N 370.277 4.446 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cncc(Cl)c2[nH]1 587232932 DJCOEPZPJVRCRR-ZYHUDNBSSA-N 350.850 4.162 0 1 FIAF O=C(c1coc2ccc(Cl)cc12)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 587277966 BSZXDJZTPBTGQE-NSHDSACASA-N 357.768 4.461 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4cccc(Cl)c4)no1)[C@@H](C2)C3=O 587419289 KTSHLEWRUKNUGM-VBKZILBWSA-N 367.788 4.492 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1C1CCOCC1)[C@@H](C2)C3=O 587451426 HNNHKHUNCRJCGR-AVRDEDQJSA-N 350.414 4.078 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc(OC)c(F)c1)CC2=O 587465083 AJMQANQEXMSKGK-CQSZACIVSA-N 358.409 4.459 0 1 FIAF CCCc1c(O)ccc2c1O[C@](/C=C(/C)N(C)C)(c1nccs1)CC2=O 587492525 ALXSXBZDLMINHC-ZQGDAAQZSA-N 372.490 4.127 0 1 FIAF O=C1C[C@@H](c2ccc(N3CCCC3)nc2F)Oc2c1ccc1c2CCCC1 587504508 HMKSQKKCPZQNOC-IBGZPJMESA-N 366.436 4.406 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(O)c1F 587557342 MVMRFJDENYHNSA-YWZLYKJASA-N 370.307 4.079 0 1 FIAF CC(C)[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587805 PXDXHIWKZIKYBR-UGKGYDQZSA-N 361.397 4.300 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N2CCCCC2)N1 587764351 DTMFOUUUMMMUAZ-SJCJKPOMSA-N 369.322 4.428 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)OC(C)(C)C)N1 587790189 GIEOUOUYRUIKGI-QGHHPUGFSA-N 372.278 4.069 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3[nH]ncc23)N1 587790422 CUMYLPLSOFOEDQ-XYZCENFISA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccncc3[nH]2)N1 587800559 BQHWLTRCISUGLH-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3ccccc3[nH]2)N1 587804504 REJUQTWBGDTUAL-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)s2)N1 587844838 BYHBVGMSFOGUJC-ABKXIKBNSA-N 369.303 4.339 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CSCC(C)(C)C2)N1 587857504 KTIFRDSPWDZNPR-QFYYESIMSA-N 358.320 4.481 0 1 FIAF COC(=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 587956109 UKRCLJKAESCLQP-KRWDZBQOSA-N 357.413 4.119 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CC(C)(C)Oc2ccccc21 963608418 LEKNSGNZRKAJMU-FPTDNZKUSA-N 353.462 4.043 0 1 FIAF COc1cc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)ccc1[C@H]1C[C@H](O)C1 1772635405 PVDGZUDGHWOMOJ-HAQNSBGRSA-N 371.820 4.433 0 1 FIAF CCC(=O)N(CCN1CCC(c2ccccc2)CC1)c1ccc(OC)cc1 2382244397 UZWLQRWIOFTOMF-UHFFFAOYSA-N 366.505 4.318 0 1 FIAF CC[C@]1(c2ccccc2OC)ON(c2ccccc2C(F)(F)F)C1=O 36387696 AVRZUCDRTVKLQM-QGZVFWFLSA-N 351.324 4.298 0 3 FIAF CCN(C(=O)[C@@H](C1CC1)[C@@H](O)c1ccc(C(C)=O)cc1)c1ccccc1 203466913 GAVVJWJESWJWCD-SFTDATJTSA-N 351.446 4.002 0 3 FIAF Cc1nc2cnccc2n1CCCO[C@H]1CC[C@H](c2ccc(F)cc2)O1 1554989 DPLGULRGBPMLCH-WOJBJXKFSA-N 355.413 4.163 0 1 FIAF O=C(Cc1c(C(=O)O)[nH]c2ccccc12)Nc1ccc(C(F)(F)F)cc1 3906684 TWQKBIPJZOFMIB-UHFFFAOYSA-N 362.307 4.066 0 1 FIAF C[C@@H](Oc1ccc(OCC2CCCCC2)cc1)C(=O)NCc1ccco1 6442572 MJENVWGJGBTLEC-MRXNPFEDSA-N 357.450 4.322 0 1 FIAF O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 13674296 XMYBCDHWKUBJDW-UHFFFAOYSA-N 357.881 4.287 0 1 FIAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1O 13863461 PKNCMHIFSWTLHO-ZWKOTPCHSA-N 368.477 4.252 0 1 FIAF Fc1ccc(Nc2ncc3c(n2)CCN(CCc2ccccc2)C3)c(F)c1 15778931 TYEAGDLBVKJZSL-UHFFFAOYSA-N 366.415 4.099 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26571945 NDVMSTHWOUOSMI-ROUUACIJSA-N 364.445 4.261 0 1 FIAF C[C@@H]1CN(Cc2ccc(F)cc2)CCN1CCCC(=O)c1ccc(F)cc1 26816344 SRZVUZNRRNCUBP-QGZVFWFLSA-N 372.459 4.134 0 1 FIAF O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1C(=O)C[C@@H]1c1ccccc1 28525047 GMLNMOGSFGZVEE-FYYLOGMGSA-N 370.452 4.018 0 1 FIAF Cc1ccn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12 28900985 QUMXZLSLZVWESB-UHFFFAOYSA-N 354.417 4.179 0 1 FIAF Cn1c2c(c(=O)n1Cc1ccccc1C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C 35285346 VYKHHRFZDHVGDQ-KUHUBIRLSA-N 364.411 4.429 0 1 FIAF CC(=O)O[C@H](C(C)=O)[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 36107748 UNBBTEFWSPALIQ-SPZHGEQOSA-N 358.478 4.019 0 1 FIAF C[S@](=O)C[C@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3 40567202 YTBQLBSVAHMJNU-XKQJBLCSSA-N 366.567 4.479 0 1 FIAF CCc1c(Sc2cc(C)cc(C)c2)n(CC[C@@H]2C=CCC2)c(=O)[nH]c1=O 43012505 ZEBVRXQYXXCKAV-MRXNPFEDSA-N 370.518 4.223 0 1 FIAF CC(=O)Nc1ccc2c(c1)C(c1ccccc1Cl)=Nc1c[nH]nc1N2 64548325 SVZUZSDHGKVQNU-UHFFFAOYSA-N 351.797 4.248 0 1 FIAF O=C(c1ccc(C(F)(F)F)cc1)[C@H](CN1CCOCC1)c1ccccc1 95755564 ULFXYGSLIIQWSV-GOSISDBHSA-N 363.379 4.004 0 1 FIAF COc1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)C2=C(O)CCCC2=N3)cc1 103541803 JQPPJSAEOJZFEG-IBGZPJMESA-N 373.416 4.020 0 1 FIAF CC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)[C@H](C)C3=O)cc2)s1 169720262 XEQHWSXEFMCDDT-WYRIXSBYSA-N 358.484 4.398 0 1 FIAF CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(=O)O)cnc12 203702334 WYKTUAODSNPKIE-UHFFFAOYSA-N 350.205 4.047 0 1 FIAF CC(C)CCN1C[C@@H]2CC[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 299813430 LUMJFYQEUQLNSP-KKXDTOCCSA-N 369.336 4.480 0 1 FIAF FC(F)(F)c1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Br 586916922 PMFXMZNEMNSWJH-UHFFFAOYSA-N 361.161 4.238 0 1 FIAF Cc1c(-c2nc3c(Cl)ncc(C)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029902 VMLWXNDXSCVORR-UHFFFAOYSA-N 371.853 4.069 0 1 FIAF CC[C@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587062823 WUFZZJWYTRYOIS-AWEZNQCLSA-N 357.797 4.077 0 1 FIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)nccc3[nH]2)n1 587080341 OZXODVDKWYICKI-SSDOTTSWSA-N 354.639 4.208 0 1 FIAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)cc(F)c2[nH]1 587088866 TYBYETZCDQLGSL-MRVPVSSYSA-N 360.177 4.214 0 1 FIAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1F 587153078 VQPVZQBHNHJYHD-BDAKNGLRSA-N 350.271 4.434 0 1 FIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 587202241 BZVRACMAVMDDIU-UHFFFAOYSA-N 371.828 4.128 0 1 FIAF CCSC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587368883 AXSXJAYQSTZBIA-AZUAARDMSA-N 374.433 4.319 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccc(Cl)cc1)O2 587379087 SHGZJCOMJXDLCM-GWQNQTGSSA-N 356.853 4.167 0 1 FIAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1ccccc1 587517958 YAELAFKNFVZSPZ-HSZRJFAPSA-N 373.456 4.335 0 1 FIAF CCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C)c(C)n1 587623493 TXUZODLNWIELLK-UHFFFAOYSA-N 358.243 4.307 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(C2CC2)N1 587776050 VVKKVPWBLLLZMT-BBATYDOGSA-N 361.258 4.171 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccc2[nH]1 587863229 DZSHHRNFZHDRGZ-UHFFFAOYSA-N 358.323 4.443 0 1 FIAF CC1(C)COC(c2cccc(-n3c(O)cc(Cc4ccccc4)c3O)c2)=N1 587934197 CXWVCAHFRIIXRT-UHFFFAOYSA-N 362.429 4.035 0 1 FIAF CCC/N=c1\c(NC(=O)CCc2ccccc2)c(O)oc2ccccc12 617996274 BUKAHCJGEBAQAY-QOCHGBHMSA-N 350.418 4.020 0 1 FIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2sc3ccccc3c2Cl)N1 962891390 APBZXEFWZKZKQB-BLLLJJGKSA-N 361.825 4.382 0 1 FIAF CCOC(=O)C[C@@]1(COc2ccc(C)cc2)NCCc2cc(Cl)ccc21 963389625 CRDCRAMZJXDHNH-NRFANRHFSA-N 373.880 4.022 0 1 FIAF COc1ccc(OC)c(-c2ccc(N(C)C(=O)c3ccncc3F)cc2)c1 1772635103 PSGHDWOVZICPFR-UHFFFAOYSA-N 366.392 4.182 0 1 FIAF CC[C@@H]1CN(Cc2ccccc2)c2cc(-c3cnoc3)ccc2N1C(C)=O 1857643600 VITYUZTXONZPJY-HXUWFJFHSA-N 361.445 4.493 0 1 FIAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]3F)[nH]c2c1 2356302576 ZGGJGUFZMZVRJW-QFBILLFUSA-N 373.859 4.264 0 1 FIAF COC(=O)C1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@@](C)(CC(=O)O)O2 2356496028 BWADDJDJLUBKIC-DVMWJLJYSA-N 364.482 4.105 0 1 FIAF COCc1cccc(-c2csc([C@H](NC(C)=O)c3cccc(F)c3)n2)c1 61907541 SHEYSFNFGPCKNK-LJQANCHMSA-N 370.449 4.321 0 3 FIAF COc1ccccc1NC(=O)OCCCN1CCC2(CCC(C)CC2)C1=O 96019353 QTPVBDGRIWESMU-UHFFFAOYSA-N 374.481 4.063 0 3 FIAF O=C(/C=C/c1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 13679930 QITHKMFBAHBZTH-VAWYXSNFSA-N 374.528 4.186 0 1 FIAF O=S(=O)(O)O[C@@H](CCc1ccccc1)Cc1cccc2ccccc12 26152305 JOKPTNDRFXLHHR-IBGZPJMESA-N 356.443 4.203 0 1 FIAF CCOC(=O)C1=C(C)Nc2ccnn2[C@@H]1c1cccc(Cl)c1Cl 26744798 GLTMERODYMIDGG-OAHLLOKOSA-N 352.221 4.042 0 1 FIAF Cc1cc(C)cc(Sc2c(C)c(=S)nc(O)n2CSCCO)c1 27099177 HOXCFHSZOIGNMV-UHFFFAOYSA-N 368.549 4.078 0 1 FIAF CC(C)N1C[C@H](CNCCCc2c[nH]c3ccccc23)Oc2ccccc21 28571897 VKCUQIFDZDDWJX-IBGZPJMESA-N 363.505 4.366 0 1 FIAF COc1ccc2c(c1)C(=O)C(c1ccc(Cl)c(C(F)(F)F)c1)=[N+]2[O-] 45245605 VKCGEFHCUNERCN-UHFFFAOYSA-N 355.699 4.195 0 1 FIAF Cc1cc([S@](=N)(=O)NC(=O)Nc2ccc(Cl)cc2)cc(C)c1C 82016438 BTCCJSNEWMLWOE-HSZRJFAPSA-N 351.859 4.408 0 1 FIAF Cc1cc(N)nc(COc2cccc(NCCc3cccc(F)c3)c2)c1 96282518 ZTLRWJUMKREZDZ-UHFFFAOYSA-N 351.425 4.345 0 1 FIAF NC(=O)c1cccc(OCCCCSc2nc3ccccc3s2)c1 96923076 QUEDQEMBPFDGGV-UHFFFAOYSA-N 358.488 4.347 0 1 FIAF COc1ccccc1C1(O)C[C@@H]2CC[C@@H](C1)N2Cc1c[nH]c2ccccc12 101185149 JPSSDJSKUUWHMS-ROUUACIJSA-N 362.473 4.191 0 1 FIAF C[C@H]1CN([C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)C[C@@H](C)O1 115634810 POKMZQQTGGAPSI-ZSDSOXJFSA-N 366.436 4.278 0 1 FIAF C[C@@H](N[C@@H]1CCN(c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12 118895852 BDCLEXSIIWFCSP-VQIMIIECSA-N 360.457 4.468 0 1 FIAF CN1CC[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC=C(n4ccnc4)[C@@]3(C)CC[C@@H]12 169209296 MLJIZXUEYLOKAU-PTRTWWQBSA-N 365.521 4.365 0 1 FIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccc(Cl)c1Cl 169369285 QJUURDMOAUOHOG-MDLVYNBPSA-N 352.261 4.033 0 1 FIAF O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(-c3cccs3)ccc21 377836361 QQYVDDVQIYBKNB-UHFFFAOYSA-N 351.436 4.187 0 1 FIAF COc1cncc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc12 586881107 UGEOKQRVSGZVRW-UHFFFAOYSA-N 359.385 4.307 0 1 FIAF Cc1ncc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C)c1Br 586979308 WLBFFYQZWNVWTJ-UHFFFAOYSA-N 371.160 4.418 0 1 FIAF Fc1cc(Cl)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006514 MCWNKYOOIDQMLJ-UHFFFAOYSA-N 365.593 4.433 0 1 FIAF COc1cccc(-c2cc(F)cc(-c3nc4c(Cl)ncnc4[nH]3)c2)c1 587160655 YLGWZWGMHNNBLL-UHFFFAOYSA-N 354.772 4.488 0 1 FIAF Cc1c(Cl)ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 587193709 OVVQPQTZFXGAHT-UHFFFAOYSA-N 371.868 4.044 0 1 FIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 587242571 WKIZMYKKXLVQDO-UHFFFAOYSA-N 355.369 4.052 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]ccc32)[C@@H]1c1ccc(F)cc1 587344945 HXUMZJFRTMKHQB-IRLDBZIGSA-N 363.388 4.450 0 1 FIAF CCCOc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@H](C)C2 587411885 LLUAQDXUVVOGSS-ASSNKEHSSA-N 367.445 4.396 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C[C@H](C)C(=O)O)(c1ccccc1)CC2=O 587487752 IEBLJSDZASSFBK-RCDICMHDSA-N 368.429 4.316 0 1 FIAF CC(C)N1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518488 JJVDIXAXUZDMGR-HSZRJFAPSA-N 361.441 4.181 0 1 FIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587553817 HLICDMOCVXCPEC-WIYYLYMNSA-N 366.344 4.243 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c([nH]1)CCCC2 587586406 CBJSLFXOTSFAGC-UGKGYDQZSA-N 361.397 4.302 0 1 FIAF COC(=O)c1c(-c2ccccc2Br)[nH]c2c(C(=O)O)cccc12 587636635 AHOXZFHSYWCBAB-UHFFFAOYSA-N 374.190 4.082 0 1 FIAF CCCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587762014 CKWPGHOFTPRHRU-DYZYQPBXSA-N 366.278 4.127 0 1 FIAF CCOc1ccc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874055 SKXBGDQALUYIPM-LBPRGKRZSA-N 368.364 4.301 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@]3(C)c3ccccc3OC)nc2c1 587931089 QSXWFAAOYSSPRY-RNODOKPDSA-N 370.836 4.457 0 1 FIAF Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587944561 CIIJFAPKYYWAKK-UHFFFAOYSA-N 370.771 4.133 0 1 FIAF COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3c(Cl)cccc23)cn1 653786562 XHBJKIAYHNDTEH-UHFFFAOYSA-N 371.824 4.101 0 1 FIAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1nc2ccccc2n1C 962376926 WBBQJAAFDROZKB-HXUWFJFHSA-N 362.502 4.121 0 1 FIAF COc1ccc2[nH]c(C)cc(=NCC(=O)Nc3ccc4ccccc4c3)c2c1 1772590346 GXGKOPUKVTXQHP-UHFFFAOYSA-N 371.440 4.178 0 1 FIAF O=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1cccnc1 2930942 AGHWKNNZUZXNMW-UHFFFAOYSA-N 370.412 4.169 0 3 FIAF CC[C@H](C)CNC(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1 12507355 FCEXTFYRMHLXNQ-KRWDZBQOSA-N 360.542 4.352 0 3 FIAF CC(C)CC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 2456364 VHRXAPFKDRBWJH-HXUWFJFHSA-N 374.843 4.395 0 1 FIAF CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C1=O 13527915 CMJNCJLLBQHMPJ-TZIWHRDSSA-N 373.456 4.246 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2Cc1ccccc1 13652187 AOTHPBKOMYVVMW-BQJUDKOJSA-N 353.437 4.135 0 1 FIAF CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13672404 MOULBCUUFREKFV-UHFFFAOYSA-N 369.812 4.320 0 1 FIAF CCCN[C@@H](c1ccc(OC)cc1)[C@H](NCCC)c1ccc(OC)cc1 27891400 VZMQBWSKOPJETE-SZPZYZBQSA-N 356.510 4.485 0 1 FIAF Clc1cccc(Cl)c1-c1cc(-c2cnn(C3CCNCC3)c2)on1 45506606 CCDQOOKQQKTMOZ-UHFFFAOYSA-N 363.248 4.436 0 1 FIAF CCOC(=O)N1CCC(Nc2cc(-c3ccc(C(C)C)cc3)ncn2)CC1 82160296 NGNPTDUJTIFHAI-UHFFFAOYSA-N 368.481 4.300 0 1 FIAF O=C1/C(=C/c2ccc(Cl)cc2)CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 84669082 SWIMUAYQYRUUPL-ORBNHADYSA-N 370.924 4.219 0 1 FIAF COc1cc([C@@H]2c3cc4c(cc3C[C@@H](C)[C@H]2C)OCO4)cc(OC)c1OC 86042489 OZZUFLDUPKLHBA-SQHYZVFZSA-N 370.445 4.401 0 1 FIAF biogenic CCNC(=O)C(C)(C)[C@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 95559938 YQROPEFKPYTAAN-FQEVSTJZSA-N 362.477 4.378 0 1 FIAF CC(=O)O[C@@H]1C[C@H]2[C@H](C)c3ccoc3C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@]12O 95909945 ALHFWFVPZTXDOE-DCBGGEIISA-N 360.494 4.455 0 1 FIAF biogenic,in-vitro CC[C@@H](C)OC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl 103272166 FQEQPLVVGYTYIM-LLVKDONJSA-N 361.825 4.039 0 1 FIAF Cn1cc(NC(=O)c2ccccc2)c(Oc2cccc(C(F)(F)F)c2)n1 103290642 OVEUJXHGXKBBJF-UHFFFAOYSA-N 361.323 4.484 0 1 FIAF CC(=O)O[C@H]1C=C2C(=O)OC[C@H]2[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 143539802 ZIKWEGSEZFZECM-FMHACRAZSA-N 360.494 4.280 0 1 FIAF O=C1Nc2ccc(F)cc2[C@]12C[C@H](c1ccc(Br)cc1)N=N2 169727681 MPHVQQSSNCKSTG-GDBMZVCRSA-N 360.186 4.333 0 1 FIAF CC1=N[C@@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1CCC21CC1 211020197 BQEOVNOSRGLHCK-HXUWFJFHSA-N 350.853 4.113 0 1 FIAF COc1cccc(Cn2c(CO)c(-c3ccc(OC)nc3)c3ccccc32)c1 299822014 MVSSJBPOMHWBCB-UHFFFAOYSA-N 374.440 4.261 0 1 FIAF Oc1ccc(C2(c3nc4c(Cl)c(Cl)cnc4[nH]3)CCOCC2)cc1 586913081 MCRLBDMYVKQRTL-UHFFFAOYSA-N 364.232 4.067 0 1 FIAF CCOC(=O)c1ccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2c1 587021935 TZBPSKCMGCUNGR-UHFFFAOYSA-N 352.419 4.167 0 1 FIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccnc3[nH]1)N2 587031090 LLYIABDPIKJOBB-CEXMDJMXSA-N 371.491 4.085 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(C)(C)C 587205276 OUVZEROCMWBXBI-NSHDSACASA-N 371.403 4.462 0 1 FIAF COC(=O)Nc1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 587243019 AYGIAYVMQPMEQN-UHFFFAOYSA-N 364.174 4.310 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1csc(Br)c1)[C@@H](C2)C3=O 587452871 PXIMNJSSPKBXKH-ZUZCIYMTSA-N 351.221 4.008 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(-c3ccc[nH]3)cc1OC)CC2=O 587480118 CGJXRELZVWNZHH-LJQANCHMSA-N 366.417 4.383 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1nc(Br)cs1)CC2=O 587495401 QUUKDIMKHVMNMJ-LBPRGKRZSA-N 368.252 4.270 0 1 FIAF C[C@@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545144 GLOCWFYSMKONDN-SWLSCSKDSA-N 374.261 4.310 0 1 FIAF O=Cc1cc(F)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567858 FNBAVONVWMXSLW-CRAIPNDOSA-N 370.357 4.108 0 1 FIAF C[C@]1(c2cc[nH]c3nccc2-3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589094 NMBXCTXLLLJDOE-PGRDOPGGSA-N 372.380 4.097 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccoc2c1 587589538 XTOGCRKZDHSSCH-WIYYLYMNSA-N 359.337 4.236 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)COC2 587606506 DLFABTFOQFFDPC-DENIHFKCSA-N 360.365 4.125 0 1 FIAF Cc1cc(O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611331 SEYLHFITCGMAIF-UGKGYDQZSA-N 362.381 4.283 0 1 FIAF O=C(Cc1nc2cccc(OCc3ccccc3)c2[nH]1)OCc1ccccc1 587782194 IBHHEVUNBMUVLW-UHFFFAOYSA-N 372.424 4.428 0 1 FIAF Cc1[nH]c2ncccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587806134 VAYPHUUWWCFHRL-HUTHGQBESA-N 374.257 4.397 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccoc1 587864859 RHSHXMGEWDOJNL-UHFFFAOYSA-N 350.296 4.249 0 1 FIAF COc1cccc2cc3c(nc12)[C@]1(CCCC=C1Br)NCC3 963047368 OJIJWIRGPUZSIY-GOSISDBHSA-N 359.267 4.047 0 1 FIAF O=C(O)[C@@]1(c2ccc3c(c2)CCCC3)c2c(F)cccc2C[C@@H]2CCCN21 963109030 UERTUDKMWXONJR-WMZHIEFXSA-N 365.448 4.053 0 1 FIAF CC(C)C(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2C(C)C)cc1 1665973619 BJFJFXIUOZLPDO-UHFFFAOYSA-N 361.463 4.172 0 1 FIAF NC(=S)c1cccc(-c2cn(CCC(F)F)c3cc(CO)ccc23)c1 1857612294 LBFKPEUIZORPLS-UHFFFAOYSA-N 360.429 4.090 0 1 FIAF CCc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 13131737 WDUSFYWTQRYAEV-SJORKVTESA-N 353.857 4.222 0 3 FIAF aggregator Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@H]3CC=CCC3)CC2)c1 14967483 JLRNCICXEOEQCF-IBGZPJMESA-N 354.494 4.309 0 3 FIAF CSc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)c2sccc2C)cc1 61906765 SAPGHZNEVDGKSP-GOSISDBHSA-N 360.504 4.022 0 3 FIAF Cc1ccc(S(=O)(=O)N2CCCc3nc(-c4ccccc4)ccc32)cc1 199726273 DKQFODZKGAEEBY-UHFFFAOYSA-N 364.470 4.199 0 3 FIAF CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)NC1CCCCC1 25427594 TYDVSRURAZWLCY-IEBWSBKVSA-N 356.510 4.014 0 1 FIAF biogenic C[S@](=O)C[C@@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3 40567201 YTBQLBSVAHMJNU-BVBIOCTKSA-N 366.567 4.479 0 1 FIAF Cc1cccc2cc(CN[C@H]3CCOC(C)(C)C3)c(N3CCCC3)nc12 45369162 DNERQJFTJKJJPF-IBGZPJMESA-N 353.510 4.191 0 1 FIAF COc1ccccc1-c1ccnc2c(-c3c(F)cccc3F)[n+]([O-])ccc12 73169553 KROWIURGYUBEKL-UHFFFAOYSA-N 364.351 4.489 0 1 FIAF Cc1c(CCC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1 95585466 IRIACGXTWHBCDK-UHFFFAOYSA-N 359.784 4.448 0 1 FIAF CCNC(=O)Nc1ccc2ncc(Nc3ccc4ccccc4c3)nc2n1 149739613 FGXVXHYSQPGYKL-UHFFFAOYSA-N 358.405 4.063 0 1 FIAF CCC/C=C/C=C\C=C\CCCOC[C@H](CO)OC(=O)c1ccc(O)cc1 165721897 HDFSCPGSKMWCOJ-JXXIBGHBSA-N 374.477 4.175 0 1 FIAF O=C(Nc1cccc(O)c1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166223258 IQRVVPUNAVGRRF-UHFFFAOYSA-N 373.412 4.192 0 1 FIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@]3(C)CC)nc2c1 586888438 JHFIAIIUHSRZJA-HWPZZCPQSA-N 351.244 4.406 0 1 FIAF O=[S@@](CCCc1nc2ccccc2[nH]1)c1ccc(Br)cc1 586961906 YYBZVFHGGWUVHT-NRFANRHFSA-N 363.280 4.066 0 1 FIAF CCOC(=O)c1ccc2nc(-c3cnc(C)c(Br)c3C)[nH]c2c1 586979676 UHCGMPOSJCPKIS-UHFFFAOYSA-N 374.238 4.181 0 1 FIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(F)cc(F)c3[nH]2)cs1 587019473 OGTOJJCIFINASQ-UHFFFAOYSA-N 366.393 4.235 0 1 FIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cnc3ccccc3c2[nH]1 587040625 PHLOMASXTPIJJG-AWEZNQCLSA-N 356.451 4.094 0 1 FIAF COc1nccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587041922 PUTJSGNKFSSBJC-UHFFFAOYSA-N 359.476 4.024 0 1 FIAF Cc1ccc(C)c2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc12 587043758 USIGJHJLWFTMLB-AWEZNQCLSA-N 357.866 4.489 0 1 FIAF COc1cc(OC)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c1 587091242 HKVUFIMPNAKQSW-UHFFFAOYSA-N 369.368 4.297 0 1 FIAF CCCCCOc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Br 587123449 JTYSNPYDWUEUEM-YMTOWFKASA-N 358.255 4.252 0 1 FIAF Cc1cc(C)c2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 587132047 HYSXMUMDTFSCIQ-GFCCVEGCSA-N 351.397 4.149 0 1 FIAF CNc1c(F)cccc1-c1nc2cccc(I)c2[nH]1 587135983 UPVUFQKMGNYSQJ-UHFFFAOYSA-N 367.165 4.015 0 1 FIAF Fc1cccc([C@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1F 587153086 VQPVZQBHNHJYHD-RKDXNWHRSA-N 350.271 4.434 0 1 FIAF O=C(O)c1cccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587157614 ATMKQDQJKCCKPR-UHFFFAOYSA-N 372.359 4.406 0 1 FIAF Nc1ccccc1-c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 587250157 JAWQDRHXTVHUGU-UHFFFAOYSA-N 355.323 4.288 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc(F)c1Br)O2 587383395 ZURCQPKASIQNNL-ZDUSSCGKSA-N 368.177 4.324 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccco1)([C@@H](O)c1ccco1)CC2=O 587476592 CWHGPNOCEBRXLF-SFTDATJTSA-N 368.385 4.125 0 1 FIAF COc1ccc(COC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521455 CXZSMNCJWLLTSU-SFHVURJKSA-N 352.430 4.125 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1Cc2ccccc2C1 587603260 LHYYOVOWMYOSLX-OFNKIYASSA-N 358.393 4.137 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc(O)ccc12 587607317 HWVQVTYNSCWVAL-NFBKMPQASA-N 374.392 4.291 0 1 FIAF Cc1cccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587769469 GGXZQIDSHCAANU-XIKOKIGWSA-N 363.274 4.284 0 1 FIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 587786948 TZUPDWMYFLHRLF-QWRGUYRKSA-N 362.216 4.208 0 1 FIAF CC[C@]1(c2cccc(O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587833258 MQJLLRFRKLZJKX-BBATYDOGSA-N 364.258 4.482 0 1 FIAF CCc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587851543 CGFYQUDRXOUMRT-VXJOIVPMSA-N 355.276 4.231 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2scnc2Cl)N1 587854642 RLIGVUOXJODOFT-KSBSHMNSSA-N 361.667 4.322 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(F)cc1F 587868938 WSMGTQJACJVDGA-UHFFFAOYSA-N 369.293 4.299 0 1 FIAF Cc1cc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(C)[nH]1 962957909 OULABBFNSSAHDM-GOSISDBHSA-N 364.411 4.391 0 1 FIAF CC[C@@]1(c2ccccc2Cl)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963220637 FDEZZGCIWDBJDA-CTNGQTDRSA-N 366.848 4.141 0 1 FIAF CN(C)CCCNc1ccnc2cc(OCc3ccc(F)cc3)ccc12 1857556881 PCFIJWYROSDTNH-UHFFFAOYSA-N 353.441 4.317 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2[C@H](C)C3=CC(=O)O[C@@H]3C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 2356335599 AXXGVIAGQXWYPN-KQRIKCJXSA-N 360.494 4.278 0 1 FIAF O=C(O)C=C[C@@H]1[C@H]2C=C[C@H]3[C@H]1C[C@@H]1[C@H](CCCc4ccc(O)cc4)[C@H]2[C@H]31 2356337447 ZCRUGKKXGAGXFI-VTAKWGFLSA-N 350.458 4.286 0 1 FIAF CC(=O)OCC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 1768945 NJCJHGJZWVIYPY-WAUHAFJUSA-N 370.489 4.043 0 1 FIAF Cc1ccc2nc(/C=C/c3ccccn3)nc(N[C@H]3CC[C@@H](N)C[C@H]3C)c2c1 3974557 GRZNANUICUJEDB-DYNSCISFSA-N 373.504 4.431 0 1 FIAF OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@H]1Oc1cc(Cl)cc(Cl)c1 7992161 ULBNKSMBQPHNIA-KURKYZTESA-N 351.229 4.429 0 1 FIAF CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c2ccccc2O)C1 13432159 KVBYAXSJSBEUHY-CZAYHTPWSA-N 358.478 4.461 0 1 FIAF biogenic O=C(O)/C(=C/c1ccc(-c2ccccc2Cl)o1)NC(=O)c1ccccc1 28520679 MDOQKPLBHQPCBK-ATVHPVEESA-N 367.788 4.456 0 1 FIAF O=C1N[C@@H]2CCCC[C@H]2N1C1CCN([C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 34281876 RVFJUGFEQYVYCP-HSROGRKHSA-N 359.558 4.146 0 1 FIAF CCO[P@@]1(=O)OC(C2CC2)=C(Br)c2ccc(OC)cc21 49048618 FJVULKWLDRRSSK-HXUWFJFHSA-N 359.156 4.054 0 1 FIAF O=C(NC[C@@H](c1ccc(Cl)cc1)n1ccnc1)c1cc2ccccc2o1 53294200 RVPUKSFQKZNXOL-KRWDZBQOSA-N 365.820 4.302 0 1 FIAF CSc1nn(-c2ccccc2)c2c(OCC3CCNCC3)cccc12 72178667 YIQJEQUHYULZCI-UHFFFAOYSA-N 353.491 4.126 0 1 FIAF CCCCCOc1c(OC)ccc2c1CN(CCc1ccc(O)cc1)C2=O 80810015 WTCIBQYPEGRYCO-UHFFFAOYSA-N 369.461 4.168 0 1 FIAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1 82132303 AMCBNTWQRJYNIQ-BEFAXECRSA-N 364.493 4.274 0 1 FIAF CCNC(=O)Nc1nc2cc(OC)c(-c3ccccc3OC)cc2s1 95604698 VOEIBPDLKTUCNA-UHFFFAOYSA-N 357.435 4.122 0 1 FIAF Oc1cccn(CCCCCCn2cc(-c3ccccc3)nn2)c1=S 103256547 WOLPFDCMYOFWMX-UHFFFAOYSA-N 354.479 4.442 0 1 FIAF Cn1nc2c(c1-c1ccccc1)-c1nc(Nc3ccccc3)ncc1CC2 141177066 XESPVWLFMZDIDX-UHFFFAOYSA-N 353.429 4.386 0 1 FIAF CCC[C@@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1 145391953 GXJPLTPOMVKXAT-FGSXEWAUSA-N 369.505 4.455 0 1 FIAF O=C(Cc1ccc(Cl)cc1Cl)N[C@@H]1COc2c1ccnc2C1CC1 146573066 AALBYFSDQNYVFB-OAHLLOKOSA-N 363.244 4.058 0 1 FIAF O=C1NCc2c1cccc2-c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167225014 FQIAILHKYFKQMP-UHFFFAOYSA-N 369.424 4.145 0 1 FIAF Cc1cc2c(cc1O)CCN(CC(C)C)[C@@H]2c1ccc(/C=C/C(=O)O)cc1 263620472 GPXQLFBYCIDAAI-MFJULSPGSA-N 365.473 4.402 0 1 FIAF in-vitro O=C(O)c1cc(F)cc2nc(CCCCCCCCCCCO)[nH]c12 586894802 VNFNDSYQAGSXSB-UHFFFAOYSA-N 350.434 4.446 0 1 FIAF Clc1cnc(Cl)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 587042611 ULBGKHZVUWDGBQ-NEPJUHHUSA-N 365.289 4.211 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2c1 587076227 QYDIJSVMZLVELW-UHFFFAOYSA-N 368.824 4.395 0 1 FIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 587076545 WBNNJOLBWYSECI-UHFFFAOYSA-N 370.771 4.215 0 1 FIAF Fc1cccc([C@H]2C[C@H]2c2nc3c(Br)ccnc3[nH]2)c1F 587149769 AZHJJOVUKUTDKP-RKDXNWHRSA-N 350.166 4.270 0 1 FIAF COc1cc2c3c(c1)O[C@](C(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587445222 IUDYISYZQTYRQI-YADARESESA-N 370.404 4.221 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)nc1F)CC2=O 587472490 RSMMBHPUARNCGH-SFHVURJKSA-N 370.424 4.186 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](CC(=O)O)c2ccccc21 587490022 QASFLJKMPDIABC-XMHCIUCPSA-N 366.413 4.167 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)C(C)(C)[C@H]1C)CC2=O 587491383 UWUQXAJEBIOJFQ-PYDTXJQDSA-N 360.450 4.206 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccc(O)cc12 587586094 BBXAAZQORTWFPC-DENIHFKCSA-N 373.364 4.282 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCc1c[nH]cc12 587586692 CTKNBMSXHFLCEA-UGKGYDQZSA-N 361.397 4.304 0 1 FIAF O=C(CCc1ccco1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658361 MVRKDYVAYRGCDD-UHFFFAOYSA-N 362.360 4.069 0 1 FIAF CCn1cnc(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587707213 UWWGWPUGQYBZAP-AMIZOPFISA-N 372.669 4.082 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(F)ccc32)N1 587731119 KJJZZGLKLROLKV-MGNBDDOMSA-N 364.233 4.451 0 1 FIAF Cc1cccc2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n12 587773480 JCXITYWEUDHXSL-MLCYQJTMSA-N 374.257 4.168 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cnccc23)N1 587807626 XQXSJXHLBXXTNK-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(Cl)n2)N1 587851705 ISDYCNXDPITPHI-SREIQFSDSA-N 361.667 4.322 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2scnc2Cl)N1 587854643 RLIGVUOXJODOFT-UPONEAKYSA-N 361.667 4.322 0 1 FIAF O=C(NCCCCc1ccc2ccccc2c1)n1c(=O)oc2ccccc21 653790230 XPDALBOPUCEZBM-UHFFFAOYSA-N 360.413 4.328 0 1 FIAF COc1cc(-c2n[nH]cc2-c2ccc(SC)cc2)cc(OC)c1OC 1857587616 TWTUGBFTQJEUEO-UHFFFAOYSA-N 356.447 4.491 0 1 FIAF Cc1cc2c(c(O)c1Br)C(=O)[C@H](O)[C@]1(C)CC[C@@H](C(C)C)[C@@H]21 2356634808 MONXESXAQNTQLQ-BIDIUBETSA-N 367.283 4.176 0 1 FIAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NCC(C)C)cc1 774410 LHGXEUONZHSMFU-UHFFFAOYSA-N 350.418 4.403 0 1 FIAF O=C1C[C@H](Sc2ccccc2)C2(OCCO2)[C@@H](Sc2ccccc2)C1 5850111 DBRUMVVSNWOTCR-OALUTQOASA-N 372.511 4.414 0 1 FIAF C[C@@H](C(=O)COCc1ccccc1)[P@]1(=O)OC(C)(C)CN1C(C)(C)C 6002152 YYOPTHXSDWHHKU-MQNRADLISA-N 367.426 4.263 0 1 FIAF O=C1O[C@H](Cn2cnc3ccccc32)CC1(c1ccccc1)c1ccccc1 13651137 BCSRWVPYXSEJDT-FQEVSTJZSA-N 368.436 4.338 0 1 FIAF CCOC(=O)[C@]1(CCCc2ccccc2)CC[C@@]2(c3ccccc3)ON12 26483352 AHHYNRUAUCHPHR-OJSMNCEXSA-N 351.446 4.205 0 1 FIAF CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1c(C(=O)OC)c[nH]c1=S 28338712 YOBZZGCDCYKROM-LLVKDONJSA-N 362.348 4.490 0 1 FIAF O=S1(=O)N=C(O)C[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)cc1 62232970 KHBPRYVNEZKXMF-CQSZACIVSA-N 355.337 4.104 0 1 FIAF O=c1cc(Cn2ccnc2)c2ccc(Oc3ccc(F)c(F)c3)cc2o1 66102872 HUXMMWKRIINTDW-UHFFFAOYSA-N 354.312 4.108 0 1 FIAF CCC(CC)c1nc2c(NCC3CC3)ncnc2n1CC[C@H]1CCCN1C 82186274 KRKVKTQLLADIHV-QGZVFWFLSA-N 370.545 4.036 0 1 FIAF CC(C)=CCCc1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O 95485987 DNXLTPGEQXCCBK-UHFFFAOYSA-N 368.385 4.181 0 1 FIAF biogenic,in-vitro CCCCOc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)CC2=O 95564182 CCSPXDZIHGSYMT-SFHVURJKSA-N 372.417 4.295 0 1 FIAF COc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(-c3cccc(C)c3)ccc1O2 95577968 NWMFBKUHCMUGKM-HSZRJFAPSA-N 372.424 4.365 0 1 FIAF OC1=C2C(=Nc3ccnn3[C@@H]2c2ccc(Br)c(F)c2)CCC1 100787772 JLCMEXBQLCMQEM-MRXNPFEDSA-N 362.202 4.456 0 1 FIAF CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 101541019 FMWROTRZBIZHIS-IIYZAJTGSA-N 370.468 4.105 0 1 FIAF CCOc1ccccc1C(=O)Nc1cccc(NC(=O)C2CCCC2)c1 169304786 GRMLYSIGCCAXPF-UHFFFAOYSA-N 352.434 4.466 0 1 FIAF O=C(c1ccccc1)c1cccc(Cn2nc(C(=O)O)c3ccccc32)c1 169340507 UMWUYACXPSWMGF-UHFFFAOYSA-N 356.381 4.014 0 1 FIAF CCc1cnc(-n2nc(OC(C)C)c(Cc3ccccc3F)c2C)nc1 299867525 QEWOOOJRYHKMMX-UHFFFAOYSA-N 354.429 4.050 0 1 FIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587070619 SZCPXPARAMYETG-MRVPVSSYSA-N 357.738 4.058 0 1 FIAF CCOC(=O)C1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CCC1 587108153 VTZUTKLXPDPQCB-UHFFFAOYSA-N 357.409 4.431 0 1 FIAF Cc1cc(F)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 587127010 KLLFHIZALMRRCC-UHFFFAOYSA-N 350.275 4.452 0 1 FIAF O=C1C[C@H](c2nc3cccc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F 587149188 MVPCGDWYIVDXAQ-NSHDSACASA-N 361.779 4.011 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccnc(Cl)c2[nH]1)C(C)(C)C 587204852 MNPFKUMNGMKNBM-NSHDSACASA-N 352.866 4.093 0 1 FIAF C=CC(=O)Nc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 587243608 GFVDUIMEOYQZLR-UHFFFAOYSA-N 360.186 4.256 0 1 FIAF Oc1nc(O)c2cc(Cc3ccccc3Cl)c(-c3ccccc3)nc2n1 587369308 ZSILRVRIWWDGCF-UHFFFAOYSA-N 363.804 4.347 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccc(Cl)cc3)c1)O2 587381078 ZVSOEYUJGNYENX-FQEVSTJZSA-N 367.836 4.297 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C=O)cn3)cc1)O2 587394442 USVITBFOEJFICR-OAQYLSRUSA-N 358.397 4.158 0 1 FIAF CCO[C@H](C)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442911 ZSLRIRLKOITHEQ-FIRDEBMASA-N 352.430 4.456 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)nc1Cl)CC2=O 587459729 FYLTXYSKHPRWJC-MRXNPFEDSA-N 360.841 4.166 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccccc1)CC2=O 587469962 JYTDZHYYAMRJSW-NRFANRHFSA-N 353.418 4.097 0 1 FIAF COc1cc(C)ccc1OCc1nc2cc(F)cc(Br)c2[nH]1 587563211 AQFOJMJRIOODBZ-UHFFFAOYSA-N 365.202 4.361 0 1 FIAF CC(=O)c1c(-c2ccncc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623919 TYFUIDDINIFXOI-UHFFFAOYSA-N 355.195 4.071 0 1 FIAF Cc1cc(N)cc(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587742922 BPHDSEOHXONWGN-VOJFVSQTSA-N 363.274 4.411 0 1 FIAF Cc1cc(N)cc(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587748240 VWTBMYQEJVSNQB-BBATYDOGSA-N 363.274 4.411 0 1 FIAF CCCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587762772 FXRHEYSQRVYMCS-BTDLBPIBSA-N 366.278 4.127 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ncccc32)N1 587778193 LJGQTYRSMFRFJP-ZMZPIMSZSA-N 361.258 4.097 0 1 FIAF Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1C 587855534 WMFUTKYJJUCZNH-WJWGPLDTSA-N 355.276 4.285 0 1 FIAF Cc1ccc2nc([C@@H]3c4ccsc4CCN3Cc3cccn3C)[nH]c2c1 962369311 CKMJZYMOUCFPKP-FQEVSTJZSA-N 362.502 4.419 0 1 FIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@]34CCCc3[nH]ccc34)C2)cc1 962640925 MLUZXPQDOWFRJW-PXDATVDWSA-N 369.512 4.342 0 1 FIAF CN1C(=O)C[C@H]2CN[C@@H](c3cc(-c4ccco4)cs3)c3cccc1c32 963023303 JPZBMEVGSABEMW-FKIZINRSSA-N 350.443 4.151 0 1 FIAF O=C(O)[C@]1(c2ccc3c(c2)CCCC3)c2c(F)cccc2C[C@H]2CCCN21 963109039 UERTUDKMWXONJR-XXBNENTESA-N 365.448 4.053 0 1 FIAF Fc1cccc(Cn2cc(CSc3nc4ccccc4s3)nn2)c1 1857563056 PTXJAMONCOLCEU-UHFFFAOYSA-N 356.451 4.368 0 1 FIAF CC(C)(C)c1ccc(-c2ccc(N[C@H]3CC[C@H](O)CC3)c(C(N)=O)c2)cc1 1857632087 GRBVGLQVHRPVOY-WGSAOQKQSA-N 366.505 4.465 0 1 FIAF O=c1c2c(oc3ccc(Br)cc13)CCN(Cc1ccccc1)C2 1857651042 WRGPWRBWCYJJDO-UHFFFAOYSA-N 370.246 4.114 0 1 FIAF CC(C)[C@@H](N)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 61906918 XUOBSTOOBIMRES-GFCCVEGCSA-N 358.389 4.462 0 3 FIAF CC1(C)C[C@@]2(C[C@@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)NC(=O)N1 4671251 CUNYRZOIZZZCMK-XOBRGWDASA-N 372.852 4.138 0 1 FIAF CC(C)[C@@H](CN(C)C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 13446348 OENAHTKBTCKJTP-QGZVFWFLSA-N 359.341 4.359 0 1 FIAF Fc1ccc(N2CCN(c3nc4ccsc4n4cccc34)CC2)cc1 13755927 JELVCMOTKGSBCH-UHFFFAOYSA-N 352.438 4.015 0 1 FIAF COc1cc(O)cc2c1C[C@H](c1ccc(OC)c(CC=C(C)C)c1O)CO2 14762828 RRBCXJUMJUPDST-AWEZNQCLSA-N 370.445 4.342 0 1 FIAF endogenous,in-man COc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc(CC=C(C)C)c1O 14819254 GZTDFKLABHOHBU-SFHVURJKSA-N 354.402 4.322 0 1 FIAF biogenic,in-vivo COc1cc(C(C)(C)C)ccc1C(=O)Nc1ccc2c(c1)CCN(C)C2 26737033 JGXKBKUSFNIEEY-UHFFFAOYSA-N 352.478 4.233 0 1 FIAF COc1ccc(-c2cccnc2-c2cc(OC)c(OC)c(OC)c2)cc1O 28114984 LHOGRUJWGHYBHY-UHFFFAOYSA-N 367.401 4.156 0 1 FIAF CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@@H]1N1CCCC1 28768943 IAVUTDIAPOUAGO-SJORKVTESA-N 354.416 4.184 0 1 FIAF CCCC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 40897952 LGSABXJREJOSNF-GFCCVEGCSA-N 368.485 4.111 0 1 FIAF CN1C[C@@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@H]2CCCC[C@@H]21 40956626 LRFSPZSJAZEPES-ACRUOGEOSA-N 357.881 4.425 0 1 FIAF Cc1cc(C)n(-c2ccc(-c3nn4c(-c5ccccc5)nnc4s3)cc2)n1 49035663 UMFVGJHAPDNTOX-UHFFFAOYSA-N 372.457 4.322 0 1 FIAF COc1cc2c(cc1OC)[C@@H](O)[C@@H](CC1CCN(c3ccccc3)CC1)C2 49045511 SSBYUQPQURUNFB-MBSDFSHPSA-N 367.489 4.216 0 1 FIAF CCCc1cc(N)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2n1 71341244 WTWXSSFXPGGUMZ-UHFFFAOYSA-N 367.880 4.395 0 1 FIAF CC(C)C[C@H](Nc1nc(-c2ccccc2)cs1)C(=O)NCC(F)(F)F 82195318 CJASMIBUMWWELX-ZDUSSCGKSA-N 371.428 4.315 0 1 FIAF N=C1SCC(=O)N1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 98082557 LEOHGOYQSRJGOL-UHFFFAOYSA-N 362.238 4.271 0 1 FIAF CCC(=O)N1[C@H]2CC[C@@H]1[C@@H]1CC[C@@H]2N1C/C=C/c1cccc2ccccc12 100817552 RLLOCRZIVJPXPL-UWOMHSGNSA-N 360.501 4.469 0 1 FIAF O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1)c1cccc2ccccc12 101444678 ZDGGIHYVFAXCLZ-RTBURBONSA-N 360.457 4.358 0 1 FIAF CC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(OCC3CC3)nc2)cc1 118218520 SZYWRWGPHILDOF-HNNXBMFYSA-N 354.450 4.120 0 1 FIAF Nc1ncc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cn1 148013192 MLPHXTOWKZZEIT-UHFFFAOYSA-N 356.389 4.052 0 1 FIAF CCCCN(C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167844370 AGGQWWSRKPKPCT-UHFFFAOYSA-N 351.450 4.106 0 1 FIAF COc1cc(C[C@H]2C=C(c3ccccc3)CCN2C)cc(OC)c1OC 169320227 VDEWLNRSEGMADL-IBGZPJMESA-N 353.462 4.043 0 1 FIAF COc1cc2nc(C)c(-c3ccc4c(c3)OCCO4)c(O)c2cc1Cl 299827972 PKTIJBRWXQLMCR-UHFFFAOYSA-N 357.793 4.349 0 1 FIAF O=C1C[C@H](CCc2ccccn2)Oc2c(Br)cc(Cl)cc21 299831971 JMNSFKRRXDSEBY-LBPRGKRZSA-N 366.642 4.464 0 1 FIAF Cc1c(-c2nc3cnc4ccccc4c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073940 NWVTYAFAAMEBAR-UHFFFAOYSA-N 374.835 4.380 0 1 FIAF CC(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587205343 PUZFREHQIOVPQS-INIZCTEOSA-N 359.470 4.247 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC(C)C 587401118 QEXJMHKMLJBTOB-IBGZPJMESA-N 355.434 4.327 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccccn4)c1)[C@@H](C2)C3=O 587435149 DGFGQOYIAMXTMG-WMZHIEFXSA-N 373.408 4.158 0 1 FIAF Cn1cc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516858 FOHIRVMMIFAPHV-HSZRJFAPSA-N 358.441 4.208 0 1 FIAF Cc1cc(N)cc(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587748243 VWTBMYQEJVSNQB-ZMZPIMSZSA-N 363.274 4.411 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3ccccc32)N1 587798689 VITLSOXTEFPIQP-ZMZPIMSZSA-N 361.258 4.182 0 1 FIAF Cc1c[nH]c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 587807453 XEORMDYXFCWTDK-BMLIUANNSA-N 374.257 4.397 0 1 FIAF CC(=O)C[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587811844 HWGPVPYRRMWDDW-PIGZYNQJSA-N 356.279 4.343 0 1 FIAF Cc1cc(O)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587833424 NJBZJLUTEAZDPW-QGHHPUGFSA-N 350.231 4.226 0 1 FIAF COc1ccccc1SCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874792 CHSVSAQYBCQCGI-UHFFFAOYSA-N 356.378 4.236 0 1 FIAF COc1ccc([C@H]2CC(c3ccc(-n4cccc4)cc3)=NN2C(C)=O)cc1 653782745 NEIPAXFFLLIVMN-JOCHJYFZSA-N 359.429 4.184 0 1 FIAF O=C1N=C2SCCN2/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 1857632813 BURFSVIWOYGDGT-BOPFTXTBSA-N 370.861 4.205 0 1 FIAF O=C(Nc1cccc(C(=O)Nc2ccc3n[nH]cc3c2)c1)c1ccccc1 1857642939 QASOQTUAIVQMAH-UHFFFAOYSA-N 356.385 4.068 0 1 FIAF CC[C@H]1CN(Cc2ccccc2)c2cc(-c3cn[nH]c3)ccc2N1C(C)=O 1857755539 VOVMWMPYDOAIKC-FQEVSTJZSA-N 360.461 4.228 0 1 FIAF O=C(c1ccc2c(c1)OCO2)c1ccn(-c2ccccc2Br)c1 1911572123 NDIHBRYWFLNTOM-UHFFFAOYSA-N 370.202 4.200 0 1 FIAF Cc1ccc(C(=O)Nc2nnc(SC(=O)c3ccc(C)cc3)s2)cc1 13479509 BJIJBAVGRRCAGB-UHFFFAOYSA-N 369.471 4.340 0 1 FIAF Cc1cccc(Oc2c(-c3ccc(S(C)(=O)=O)cc3)oc(C)cc2=O)c1 13581225 RTHQRIZEGPCCGE-UHFFFAOYSA-N 370.426 4.119 0 1 FIAF CC(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1 26850953 FJMNHTAYPHBUBC-UHFFFAOYSA-N 366.486 4.318 0 1 FIAF O=P(O)(O)Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1 28951535 UHNRZITXAPMWPR-UHFFFAOYSA-N 368.329 4.022 0 1 FIAF CC1CCN(CCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)CC1 31848090 QSQGXCBQNOUZHH-UHFFFAOYSA-N 362.477 4.290 0 1 FIAF CC(=O)Nc1nc2ccc(-c3ccnc(Nc4ccccc4)n3)cc2s1 71317149 BOTVABBSICMXAK-UHFFFAOYSA-N 361.430 4.455 0 1 FIAF O=C(Nc1ccnc(Nc2cnccn2)c1)c1c(Cl)cccc1Cl 96282831 APYBKHALFMOUFU-UHFFFAOYSA-N 360.204 4.174 0 1 FIAF C[C@@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(=O)CC(=O)C1 102895335 FVEVQUBFQXFSNY-MRVPVSSYSA-N 368.273 4.430 0 1 FIAF c1ccc(-c2ccnc(Nc3ccc4[nH]c(-c5ccccn5)nc4c3)n2)nc1 144252776 UCKUVXLCSRDOTL-UHFFFAOYSA-N 365.400 4.221 0 1 FIAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)[C@H]3CCN(C)C3)ncc2c1 144406493 DDEDFLHHJSCFHE-KRWDZBQOSA-N 363.436 4.240 0 1 FIAF O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1cccc(F)c1 169694733 YAOZLLSERNAEPU-UHFFFAOYSA-N 371.375 4.498 0 1 FIAF CO[P@](C)(=O)OC[C@@H]1[C@H](C=C(C)C)[C@@]1(C)CO[P@](C)(=O)OC 254111166 BSAAHOUPSFVCBI-FWYNKRSVSA-N 354.320 4.177 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@@H]2C=C(CCCCC(=O)O)C[C@H]21 261117864 JANVYOZZTKSZGN-UPJOWOMESA-N 350.499 4.072 0 1 FIAF in-vitro O=C(O)c1ccccc1/C=C/c1nc2ccc(F)c(Br)c2[nH]1 586878539 FYMQDNWDQXZPIE-VMPITWQZSA-N 361.170 4.333 0 1 FIAF Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cs2)o1 587016002 DPCXXUZKUZZGLS-UHFFFAOYSA-N 353.403 4.416 0 1 FIAF O[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)c1ccccc1Cl 587059754 VDUIXGUQLZXECL-CYBMUJFWSA-N 355.594 4.200 0 1 FIAF COC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587086691 CKGAQCFXFPNYCX-UHFFFAOYSA-N 364.792 4.127 0 1 FIAF FC(F)COc1cccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)n1 587124390 NXEVKRKBPLCVHW-UHFFFAOYSA-N 359.254 4.167 0 1 FIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Cl)cc4[nH]3)cc2N1 587127306 WGVSVLDNFJQEST-MADCSZMMSA-N 355.751 4.387 0 1 FIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Cl)ncc3[nH]2)c1 587204032 UNCZHGZPVZGMBR-UHFFFAOYSA-N 371.828 4.128 0 1 FIAF O=C1C[C@H](c2cccn2C[C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 587512921 PWYUCIHXKLVOMG-HRAATJIYSA-N 351.446 4.252 0 1 FIAF Cc1ccc(OCC(=O)O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525939 WTBNIZDNMMZNDV-FQEVSTJZSA-N 366.413 4.044 0 1 FIAF CCOc1nc2sccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587538140 NWFNPYCOEIQUED-INIZCTEOSA-N 368.458 4.380 0 1 FIAF CN(C)/C=C/[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573903 VFJDKFHNCWLQTC-FYDICMMPSA-N 367.445 4.214 0 1 FIAF CC(C)(C)c1[nH]cnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586723 DDMRESRYMYGIIM-HNAYVOBHSA-N 364.401 4.116 0 1 FIAF CNc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587745957 XXPRKVOPIKGIKC-ZMZPIMSZSA-N 363.274 4.428 0 1 FIAF CC/C(C)=C(/N)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587746764 HWODNGYXUOKXIU-LVVIHTDMSA-N 355.295 4.370 0 1 FIAF COCC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797532 VXBZTVNWXSAQFV-APPDUMDISA-N 358.295 4.400 0 1 FIAF CCC[C@@]1(CC(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815945 RPFOBPVBLOMABZ-VOJFVSQTSA-N 368.290 4.487 0 1 FIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587823622 VKHKSGNXNYTCIA-BTDLBPIBSA-N 350.231 4.226 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)N1 587827629 LICAKENWRCLZKK-AHUXWECQSA-N 350.275 4.384 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)nc(C)n1 587865931 PRPPWPCUJBWWMD-UHFFFAOYSA-N 362.355 4.364 0 1 FIAF Oc1cc(-c2ccco2)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 587946973 OYXJOTFKQBWQAS-UHFFFAOYSA-N 370.424 4.211 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587952569 TZJIOBCFYWPHOV-IOASZLSFSA-N 360.454 4.405 0 1 FIAF Cc1nn2c(=O)cc(-c3ccc4ncccc4c3)[nH]c2c1-c1ccc(F)cc1 653675511 KVRDGGDRFGGSSZ-UHFFFAOYSA-N 370.387 4.352 0 1 FIAF CSc1cccc(SC)c1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962931459 NOVKIBDJYBIVHD-LJQANCHMSA-N 372.559 4.067 0 1 FIAF Cc1ccnc2c1CCN[C@@]2(CCC(=O)O)c1c(C)c(C)c(C)c(C)c1C 963071270 QHKXPOQPYDHWQN-QHCPKHFHSA-N 366.505 4.186 0 1 FIAF CCOC(=O)[C@@]1(c2ccc(CC)cc2)c2c(F)cccc2C[C@H]2CCCN21 963098352 GMPFJXNQJSODDR-AUSIDOKSSA-N 367.464 4.215 0 1 FIAF Oc1ccc2c(c1)[C@@](c1ccc(Cl)cc1)([C@@H](O)c1ccccc1)NCC2 963343412 VRUNEQGMAIWAMZ-VXKWHMMOSA-N 365.860 4.169 0 1 FIAF CCN1Cc2sc(NC(C)=O)c(-c3nc4cnccc4s3)c2C[C@@H]1C 1857594867 YHUNLAFJULVKMR-JTQLQIEISA-N 372.519 4.145 0 1 FIAF Cc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)[N@]2S(=O)(=O)c2ccc(C)cc2)cc1 1857623982 KWYXQHAUBJOQFR-XQBPLPMBSA-N 371.502 4.033 0 1 FIAF CC(=O)OC[C@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1CC[C@@H]1C(=O)OC[C@H]12 2356663494 JCFWGACKWZGXBV-MVCAKEEGSA-N 362.510 4.362 0 1 FIAF CC(C)=CCc1cc(C=C2OC(=O)C(c3cccc(O)c3)=C2O)ccc1O 2356675818 GXKIMXZXFFLVQU-UHFFFAOYSA-N 364.397 4.474 0 1 FIAF N=c1[nH]cc(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2F)[nH]1 2382228980 MJRWVLVSRWVGQG-UHFFFAOYSA-N 365.195 4.187 0 1 FIAF CCc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1 579475 WRQFOMMHNDHSPD-UHFFFAOYSA-N 372.877 4.430 0 1 FIAF CC(C)=CCc1c(O)cc2c(c1C)OC(=O)c1c(C)cc(O)c(C=O)c1O2 6069770 FMQCQXQSBWELFR-UHFFFAOYSA-N 368.385 4.361 0 1 FIAF endogenous,in-man COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc1 14819314 CTFJUDTWKJHYNX-IBGZPJMESA-N 354.402 4.322 0 1 FIAF biogenic,in-vitro CCOC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2c3ccccc3C[C@H]12 15952428 PTCKNXLVCDVUGX-JQHSSLGASA-N 361.363 4.367 0 1 FIAF CCN(CC)CCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1 26651149 IXJATHWARFOKIA-UHFFFAOYSA-N 363.465 4.003 0 1 FIAF Brc1ccccc1COc1cc2nncn2c2ccccc12 40891673 KYDNNKJJEUDQKM-UHFFFAOYSA-N 354.207 4.224 0 1 FIAF CCOC(=O)C(=Cc1cccc(OCc2cccc(C)c2)c1)C(=O)OCC 40937216 CXIGWTHXESFQFR-UHFFFAOYSA-N 368.429 4.084 0 1 FIAF CCOc1cccc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)c1 72183578 PSOWVDCTLXQZPV-UHFFFAOYSA-N 363.461 4.063 0 1 FIAF CC(=O)O[C@@H]1C/C(C)=C/C/C=C(/C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H]1C(C)C 85888001 WYZRLZZDCWHGLN-GNDBRSTBSA-N 374.477 4.078 0 1 FIAF CCC(=O)N(c1ccccc1)[C@@H]1CCCN(C[C@@H](O)c2ccccc2)CC1 169308200 JJHMPFZIQGVLEV-FGZHOGPDSA-N 366.505 4.018 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C[C@@H]2CC[C@@H]1N2C 169360714 IHKXUTSLFDCINU-WSWWRLHASA-N 365.473 4.102 0 1 FIAF CCOc1ccc2cc(-c3nn(CC(C)C)c4ncnc(N)c34)ccc2c1 212373761 CAEIFJPLTYUEAA-UHFFFAOYSA-N 361.449 4.283 0 1 FIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(Cl)c3[nH]2)C(F)(F)C1 587132580 SSGDLKYMGWAXPR-SECBINFHSA-N 357.788 4.186 0 1 FIAF N=c1[nH]c2nc(/C(=C\c3ccc(F)cc3)c3cccs3)nc-2c(Cl)[nH]1 587163369 IGWBRYKHEKHZEX-FLIBITNWSA-N 371.828 4.160 0 1 FIAF CC(=O)N[C@@H](Cc1nc2ccc3nc(C)ccc3c2[nH]1)c1ccc(C)cc1 587216563 FRJVFBNNNYJABU-FQEVSTJZSA-N 358.445 4.148 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1cc3ccccc3o1)O2 587392889 WUDDAIMRQRDMTR-IBGZPJMESA-N 373.412 4.430 0 1 FIAF CCOC(=O)[C@@H](CC)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587400083 MZXIXNJXMJGQPA-VGOFRKELSA-N 367.445 4.027 0 1 FIAF CCc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402887 ASBNXYBNKHVREI-JOCHJYFZSA-N 367.445 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(OC)cc3C1)CC2=O 587475667 BUABABWATRBYMI-JOCHJYFZSA-N 352.430 4.246 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ncc(C)cc13)CC2=O 587483830 MEZUVGUXAAMYKR-OAQYLSRUSA-N 350.418 4.410 0 1 FIAF C[C@@]1(c2ccnc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551566 GZTFTBLCZDVUME-PXNSSMCTSA-N 367.788 4.318 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2F)N1 587723333 WZNJVBDUYHJPOA-PWJLMRLQSA-N 356.185 4.490 0 1 FIAF COc1ccc(F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587727163 ATPJYRVOQLLTIQ-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF CCCn1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587761403 BFDKDNMMIOGHQX-BMLIUANNSA-N 366.278 4.127 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3[nH]ncc23)N1 587790420 CUMYLPLSOFOEDQ-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF CC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587813830 DYZXUHINUBZZPG-YPMLDQLKSA-N 362.242 4.414 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 587931299 RZEIVPGGTGFXJS-BBATYDOGSA-N 373.250 4.485 0 1 FIAF Cc1cc(C)c2c(c1)CC(C)(C)C(=O)[C@@]21NCCc2ccc(F)c(C)c21 962372892 IBEISVAALLLNJG-HSZRJFAPSA-N 351.465 4.292 0 1 FIAF Cc1ccc(S(=O)(=O)N2N=C3CCC[C@@H]3[C@H]2c2ccc(F)cc2)cc1 1857549495 ORETWNHURJXTFQ-PKOBYXMFSA-N 358.438 4.036 0 1 FIAF CO[C@@H]1CC(=CC[C@]2(C)[C@H](C)CC[C@]3(C)C(C(=O)O)=CCC[C@@H]32)C(=O)O1 2356594939 MRXKWDQPIXXGBB-TXZHMQSUSA-N 362.466 4.086 0 1 FIAF CC1=C[C@@H]2C=CCCCC(=O)CCC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]3[C@@H]1C 2356796503 NHXHMKDKPKQGQT-UBUQCTPFSA-N 371.521 4.004 0 1 FIAF CCCCCOc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1 2382250953 JDHXJJHCUIOSQD-UWJYYQICSA-N 355.478 4.209 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@@H]1C3 4166175 PTGGVIKFNQSFBY-JRHUAOANSA-N 358.478 4.210 0 3 FIAF in-vitro C/C=C1\CO[C@](C(=O)NCc2ccccc2)(C(F)(F)F)C=C1C=C(C)C 13828918 ZAEMXAJCKHIUTB-VDGBGEPSSA-N 365.395 4.473 0 3 FIAF Cc1ccc(-c2c(NC(=O)Nc3ccc(F)cc3)nc3ncccn23)cc1 203466261 WRIWKWQFMIPFBJ-UHFFFAOYSA-N 361.380 4.488 0 3 FIAF CC(C)Oc1ccc(Cc2c(O)nc(=S)n(-c3ccccc3)c2O)cc1 5444174 ROGKGPPXRRUGDP-UHFFFAOYSA-N 368.458 4.391 0 1 FIAF CCCCCn1cc(C(=O)Nc2ccc(OC)cc2)c(=O)c2ccccc21 13678292 KEMIWJVMJNMWRE-UHFFFAOYSA-N 364.445 4.453 0 1 FIAF c1cc[n+]2c(c1)[C@H]1c3c(ccc4c3OC4)[C@@H]2CC1(c1ccoc1)c1ccoc1 27179665 XTXWJAYXBFETRL-UNMCSNQZSA-N 368.412 4.477 0 1 FIAF O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCN1 27654167 KQMDVPHXKCGASU-SMDDNHRTSA-N 364.289 4.058 0 1 FIAF Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1F 28382184 ULIXZLFVBJBBTC-UHFFFAOYSA-N 353.415 4.309 0 1 FIAF COc1ccc([C@H]2CC[C@@H](OCCCCc3cccnc3)O2)cc1OC 29309329 OHMYPLMLHSXMER-NQIIRXRSSA-N 357.450 4.316 0 1 FIAF Cc1n[nH]c2ccc(-c3ccc4nccc(N5CCC(N)CC5)c4c3)cc12 45325077 WEWLZFGLYHJVSZ-UHFFFAOYSA-N 357.461 4.014 0 1 FIAF CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@H](c2ccco2)c2c[nH]nc2N1 64446624 ZZTSAHARMUYSDZ-INIZCTEOSA-N 372.787 4.265 0 1 FIAF c1ccc2nc(-c3ccc4c(c3)OCO4)c(-c3ccc4c(c3)OCO4)nc2c1 71295304 XCIVYIVIQFIHDZ-UHFFFAOYSA-N 370.364 4.421 0 1 FIAF COc1ccc(Cc2nccc3cc(OC)c(OCCF)cc23)c(F)c1 72106073 QLUAKIGJRWDMDK-UHFFFAOYSA-N 359.372 4.330 0 1 FIAF C[n+]1ccn(CCCCCCCCCCCCCCn2cc[n+](C)c2)c1 73161971 XUWZXBITBRKXDR-UHFFFAOYSA-N 360.590 4.320 0 1 FIAF C1=C/CNCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1 82149221 JEMMIJOETMAKME-OWOJBTEDSA-N 358.445 4.316 0 1 FIAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cc(Cl)cc(Cl)c1 100912930 ILHUURNQKXQSLQ-YVYVTERPSA-N 352.261 4.033 0 1 FIAF C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@H](F)CC2)cc1)C(F)(F)F 101167430 MCQZOJFPSRKRQW-DAYGRLMNSA-N 373.390 4.342 0 1 FIAF Cc1cc(C)cc(S(=O)(=O)n2c(=S)[nH]c3ccc(Cl)cc32)c1 103262653 RDMFJZTVFFQPHL-UHFFFAOYSA-N 352.868 4.206 0 1 FIAF Cc1ccccc1[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ccc(F)cc2F)CO1 221064284 OTDJOHYZIGHZSA-VIZZQPHQSA-N 374.456 4.308 0 1 FIAF O=C(NC[C@H]1CC[C@@H](CCOc2ccccc2)CC1)c1ccc(O)cc1 261089859 DIOZSGNEMONGCH-HDICACEKSA-N 353.462 4.398 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(OC(C)C)cc2[nH]1 586963619 PKQSBYFKOQKXIK-OAHLLOKOSA-N 358.467 4.398 0 1 FIAF O=C(Nc1nc(Cc2nc3ccc(F)cc3[nH]2)cs1)c1cccs1 587020134 YBNNZFJVOSUZFG-UHFFFAOYSA-N 358.423 4.063 0 1 FIAF COC(=O)C[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587107894 XDZDXAVQBDXUGW-CYBMUJFWSA-N 357.409 4.114 0 1 FIAF COc1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587115803 BAWBCBGSEGRKBL-UHFFFAOYSA-N 372.144 4.415 0 1 FIAF Cc1cc(F)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 587124123 LVAKFIBGCXORMD-PELKAZGASA-N 353.323 4.181 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1cccs1)(c1cccs1)O2 587411061 ATQQWWMWELZLQN-IBGZPJMESA-N 369.467 4.444 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1[nH]c(-c4ccccc4)nc1C)[C@@H](C2)C3=O 587437805 KABHHBHZCWUCIP-AOMKIAJQSA-N 360.413 4.057 0 1 FIAF COc1cc2c3c(c1)O[C@]1(C[C@H](OCc4ccccc4)C1(C)C)[C@@H](C2)C3=O 587440203 BCPXXJZQJDJGCV-WCAVRKLYSA-N 364.441 4.197 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCc4cc(SC)ccc41)[C@@H](C2)C3=O 587450340 FMRWVJDYDSQMHO-LAUBAEHRSA-N 352.455 4.396 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(C(F)(F)F)c1)CC2=O 587464233 LZIJQCXTKQZPSY-HNNXBMFYSA-N 351.324 4.465 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1[C@H]1CCCN1C)CC2=O 587476500 PHLNNAFMIKYWAR-JBYIUTFZSA-N 357.494 4.333 0 1 FIAF CC(C)NC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508633 AYZQTVKSRMQZEZ-NRFANRHFSA-N 363.457 4.410 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)c1O 587541525 FLJVULUNYMLSPK-OXQOHEQNSA-N 368.772 4.454 0 1 FIAF Nc1cccc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574642 GDEUOOOGKICAQY-NZQKXSOJSA-N 373.408 4.168 0 1 FIAF Cc1cccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n[nH]c12 587591300 CCOKHYIJOCNGOQ-JTSKRJEESA-N 372.380 4.280 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCc2ccccc21 587604138 ROPCQEUWSLYIGP-CGYQNGNCSA-N 358.393 4.452 0 1 FIAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587723563 BIJABCDXQPNJKK-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF CCOC1=C[C@]2(CCC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587799764 CSQYIJKAWISESH-GTNSWQLSSA-N 354.263 4.422 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cnccc3[nH]2)N1 587800621 BXVVBKVOFXWNNH-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF COC1(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 587812034 OWTHZPBKCOTSAC-MEDUHNTESA-N 356.279 4.297 0 1 FIAF COc1cccc(C(=O)c2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)c1 587933008 TWKOTEMOVQVVRO-UHFFFAOYSA-N 372.380 4.168 0 1 FIAF CCN(Cc1cc(=O)n2c(C(C)C)c(C)sc2n1)c1ccc(F)cc1 653856880 YXVYIOIEKOAGIT-UHFFFAOYSA-N 359.470 4.353 0 1 FIAF CCCC(=O)c1c(O)c(C=O)c2c(c1O)C[C@@H]1C[C@H](C(C)C)C=C[C@@]1(C)O2 2356538050 PQFNMBGRBKEIGP-ALLJEULLSA-N 372.461 4.435 0 1 FIAF Cc1ccc(C[S@](=O)Cc2ccc(C(=O)NC3CCCCC3)o2)cc1 6895763 IYVUEEXMNSPTHF-RUZDIDTESA-N 359.491 4.099 0 3 FIAF CC(C)c1nc2cc(C(=O)N[C@H](c3cccnc3)C(F)(F)F)ccc2o1 12430696 XLRXEWPLYYXVEF-OAHLLOKOSA-N 363.339 4.380 0 3 FIAF Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cccn2-c2ccccn2)C1 55099042 WDFRSZHHKIQHQO-KRWDZBQOSA-N 365.502 4.337 0 3 FIAF O=C1[C@@H]([C@@H](O)c2cccc(C(F)(F)F)c2)CCCN1Cc1ccccc1 103282506 XFZQSLDOQKXJIM-MSOLQXFVSA-N 363.379 4.178 0 1 FIAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccc(-c2ccccc2)cc1 28468000 ULBGLNPBFSHCAZ-JRFVFWCSSA-N 357.453 4.402 0 1 FIAF CCOC(=O)c1cnn(-c2ccccc2Br)c1-c1ccccc1 103209365 BSUFLVKIHAYNLU-UHFFFAOYSA-N 371.234 4.479 0 1 FIAF Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2O)c1 113641760 PPQXWFMSMPXYRJ-UHFFFAOYSA-N 368.380 4.155 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](Cc1cccnc1)[C@@H]2O 28568375 QLYAKILKANOLBC-OMELFJCSSA-N 363.501 4.473 0 1 FIAF in-vivo CCCc1nnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1CO 28825617 RACLCHHASISYPU-UHFFFAOYSA-N 354.159 4.038 0 1 FIAF Cc1ccc(S(=O)(=O)N2CCC(Br)=C[C@H]2CC(C)C)cc1 28704331 UPYSAAYJBWTBBQ-OAHLLOKOSA-N 372.328 4.083 0 1 FIAF O=C(OC[C@@H]1CCCN(CCCc2ccccc2)C1)c1ccccc1F 27201678 DQHZQQORLJPWBW-LJQANCHMSA-N 355.453 4.327 0 1 FIAF C[C@H]1C(c2ccc(Cl)cc2)=[N+]([O-])c2cc(-c3cnc(N)nc3)ccc21 28395990 SJXIVSIRJRHJQE-LLVKDONJSA-N 350.809 4.127 0 1 FIAF COc1cccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)c1 73165486 IZLBEJUWDRLCTJ-UHFFFAOYSA-N 369.465 4.492 0 1 FIAF O=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccc(F)nc2)cc1 49046884 UPVXJFQSDLKQRB-UHFFFAOYSA-N 370.472 4.275 0 1 FIAF COc1ccc(N(C)c2nc(N)nc3[nH]c4cccc(Cl)c4c23)cc1 198860115 IIRKHRJUERWIGG-UHFFFAOYSA-N 353.813 4.123 0 1 FIAF CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC3CCCC3)cc12 45303046 VMMJYZNKARVQGU-UHFFFAOYSA-N 364.493 4.044 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc(C)c2)n1 82145296 MWRHUPZKXCHQEB-MRXNPFEDSA-N 354.498 4.390 0 1 FIAF COc1cccc(-c2cccc([C@@]3(c4ccncc4)N=C(N)CS3)c2)c1 96906036 PEXWMBKSLYMVGI-NRFANRHFSA-N 361.470 4.062 0 1 FIAF COc1ccccc1N1CCN(CCCOc2cc(C)cc(C)c2C)CC1 261130155 KZTPJXOTELOIQW-UHFFFAOYSA-N 368.521 4.212 0 1 FIAF Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](CC(=O)O)c1ccc(Cl)cc1 299856480 IYKAHCFNTYFAON-HNNXBMFYSA-N 363.841 4.485 0 1 FIAF O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 299848780 XFLZELRWIBAHQY-HBMCJLEFSA-N 363.457 4.052 0 1 FIAF C[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)NC[Si](C)(C)c1ccccc1 653767932 WLWOBZRQAGJDPB-GOSISDBHSA-N 367.609 4.434 0 1 FIAF COc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)c(OC)c1C 587786970 IKBIMUAWRXRAKZ-UHFFFAOYSA-N 365.202 4.457 0 1 FIAF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccncc2)n1 587516799 WQMMJPYPTRYGJI-FQEVSTJZSA-N 359.429 4.067 0 1 FIAF Fc1cncc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 587176709 DCMMLWKOVFFBPX-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(C=O)n3ccccc13)CC2=O 587489664 VCSZBVLGMYBYFR-HXUWFJFHSA-N 363.413 4.425 0 1 FIAF COc1ccc([C@H](O)[C@@H](C)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587938212 ULCJHKWSNKJHEB-XLKFXECMSA-N 352.221 4.110 0 1 FIAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC 587525626 QVAANUOUZVVTKR-LJQANCHMSA-N 368.429 4.298 0 1 FIAF CC(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587806882 BHYZWIZMBQYEGL-QGHHPUGFSA-N 356.279 4.343 0 1 FIAF COc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587806587 KDTQOSJDTBCOHA-ADLMAVQZSA-N 364.258 4.395 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(C)(C)CCC(=O)O)N1 587826135 GRJVBMIVGRCALS-DYZYQPBXSA-N 372.278 4.229 0 1 FIAF Cc1nn(C)c(C)c1-c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586986879 GOWSPTLDTZOOHF-UHFFFAOYSA-N 369.424 4.478 0 1 FIAF COCCc1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531448 KHMROUBQYLQAPS-NRFANRHFSA-N 371.502 4.400 0 1 FIAF COc1ccc(-n2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1 587516925 GHQWZVLRGIERQB-QFIPXVFZSA-N 374.440 4.466 0 1 FIAF C[C@H](CC1CCOCC1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610274 PQULSYOYPAZNHO-LNHNDHHWSA-N 368.429 4.175 0 1 FIAF CCOc1ccnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587769484 GIJMRFZDAPRPAJ-BTDLBPIBSA-N 365.246 4.006 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CSCC(C)(C)C2)N1 587858036 OFRTZQDTQADZII-HWPZZCPQSA-N 358.320 4.481 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)sc2C=O)N1 587738472 OPYOJAYZOHUBCM-ZIDLFYJRSA-N 372.234 4.225 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)OCC)cc1)CC2=O 587479449 IJYWSMJXRBZHBK-JOCHJYFZSA-N 368.429 4.402 0 1 FIAF Cc1ccnc2c1CCN[C@]2(Cc1ccccc1Br)C1CC1 963066239 FXZVTJDHALAUCB-LJQANCHMSA-N 357.295 4.146 0 1 FIAF Cc1ccc([C@@]2(CCCCCC(=O)O)NCCc3ccc(O)cc32)cc1C 963339783 BWSWTLOBVIKAMR-HSZRJFAPSA-N 367.489 4.433 0 1 FIAF Cc1ccc2oc([C@]3(C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)cc2n1 962765079 LYOFRBVANYHOQF-DNVCBOLYSA-N 374.362 4.045 0 1 FIAF C[C@@H]1Nc2ccccc2C(=O)[C@]12NCCc1cccc(-c3ccccc3)c12 962660229 HQLKFSAXBRFTQK-FYSMJZIKSA-N 354.453 4.392 0 1 FIAF CCCCC[C@H](O)/C=C/CCOC(=O)CCCCCCCC(=O)OC 169321083 IDSOQTYQQXCPBD-BJRSVTDJSA-N 356.503 4.321 0 1 FIAF Cc1noc(C)c1C(=O)Nc1ccn2cc(-c3ccc(F)c(F)c3)nc2c1 1772605446 FRUILZKBRBXBDU-UHFFFAOYSA-N 368.343 4.137 0 1 FIAF COc1ccc(C=O)c(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c1 1772585676 JLBUUIKZMMZUOV-GOSISDBHSA-N 367.426 4.238 0 1 FIAF COc1cccc(F)c1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772599346 QPDBPIFUIBRDIO-AWEZNQCLSA-N 359.328 4.235 0 1 FIAF CC(=O)Nc1cc(OCc2ccccc2)nc(SCc2ccccc2)n1 169350218 MWEJLJNPBKGPFJ-UHFFFAOYSA-N 365.458 4.306 0 1 FIAF Nc1ccccc1NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166218737 SQGJKIRFPWRNNJ-UHFFFAOYSA-N 372.428 4.069 0 1 FIAF CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(Cl)cc2)cc1 13835082 UBMHJGAVMNNJPG-AWEZNQCLSA-N 351.899 4.438 0 1 FIAF COc1cc(C[C@@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)cc2c1OCO2 14646466 AUXKXHAVSAUIQX-ZIAGYGMSSA-N 356.418 4.210 0 1 FIAF biogenic COc1cc(NC(=O)/C=C/c2c(F)cccc2Cl)cc(OC)c1OC 17335667 AKDPVPNGVGXVCE-BQYQJAHWSA-N 365.788 4.157 0 1 FIAF O=C(Nc1ccccc1-n1ccnc1)c1cccc2c1C(=O)c1ccccc1-2 34641030 KZJJODPMKPXBFB-UHFFFAOYSA-N 365.392 4.336 0 1 FIAF C[C@H](O)c1ccc(-c2ccc3ncnc(NCc4nccs4)c3c2)o1 66167308 HMLNEPWDGJDPLE-NSHDSACASA-N 352.419 4.012 0 1 FIAF OC1=C2C(=NC(=S)N[C@H]2c2ccc(Br)cc2)c2ccccc21 68583416 VFKFYWYRASAIKA-AWEZNQCLSA-N 371.259 4.150 0 1 FIAF biogenic COc1cccc([C@H](C)NC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1 73155946 CMZGQSDEDHCVNT-ZDUSSCGKSA-N 360.417 4.058 0 1 FIAF Cc1cc(O)c2c(c1)O[C@@](C)(CC[C@H]1C(C)(C)CCC[C@]1(O)CO)C=C2 85884639 VQUOAESRDYPVEX-NNWRFLSQSA-N 360.494 4.195 0 1 FIAF C[C@@]12CCCC(COC(=O)c3ccccc3)=C1C(=O)O[C@H]2c1ccoc1 103206624 QRDWJZSPQUVNOR-GHTZIAJQSA-N 352.386 4.221 0 1 FIAF Oc1c2nc3ccc(Cl)cc3c-2ncn1CCCN1CCCCCC1 103903922 LSEXREFCXRCPKF-UHFFFAOYSA-N 358.873 4.161 0 1 FIAF CSc1nn(-c2ccccc2)c2cc(C(=O)C[C@H]3CCCNC3)ccc12 169706051 XCGQEOZCCSSSEE-OAHLLOKOSA-N 365.502 4.320 0 1 FIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cccnc2)c1 205908993 VGZOEYFNUDMUIX-UHFFFAOYSA-N 359.307 4.295 0 1 FIAF CCCOc1cc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2cc1Br 586897553 BITOKGRDXOJCFG-PHIMTYICSA-N 353.260 4.133 0 1 FIAF Clc1ccc(-c2nc3c(I)cccc3[nH]2)cc1 587070702 UQXZTNSBFXFMKP-UHFFFAOYSA-N 354.578 4.488 0 1 FIAF COC(=O)c1cccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c12 587076644 YCIUXQUWUJGXEH-UHFFFAOYSA-N 366.808 4.164 0 1 FIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587095174 YSXNRHWZRWBWOF-LLVKDONJSA-N 363.339 4.485 0 1 FIAF CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C 587354553 UYJSBQQYEKYQQX-WOIUINJBSA-N 370.420 4.464 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(C(F)(F)F)c1F)[C@@H](C2)C3=O 587418896 DXGQKGRDXSPWCP-BTDLBPIBSA-N 370.273 4.481 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N1CCCC[C@@H]1CC)CC2=O 587477495 RMCMWUCIOJGNJG-NYHFZMIOSA-N 373.493 4.250 0 1 FIAF O=C1C[C@H](c2cnc(Br)s2)Oc2c1ccc1c2CCCC1 587535746 OAOOSUUYZVVEPG-CYBMUJFWSA-N 364.264 4.491 0 1 FIAF CCC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586964 MKKHOVOUTFLFAN-KNQAVFIVSA-N 361.397 4.444 0 1 FIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccccc1Br 587648688 JLSVKADPMCWOFT-UHFFFAOYSA-N 364.264 4.309 0 1 FIAF O=C(C1CCCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656540 MXFLKRMRINUEPU-UHFFFAOYSA-N 354.356 4.172 0 1 FIAF CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587768892 DNTIUVQVBFLDAE-DYZYQPBXSA-N 365.246 4.006 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3ncccc23)N1 587794356 MBLVCJVPIAVGSE-DYZYQPBXSA-N 372.241 4.155 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cnccc3[nH]2)N1 587800625 BXVVBKVOFXWNNH-XYZCENFISA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cccnc23)N1 587804485 RCTZDWMGYYRTDX-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF Cc1nc2ccc(NC(=O)Nc3ccc4nc(C)c(C)nc4c3)cc2nc1C 621476529 PXWJZSLOJIWXCY-UHFFFAOYSA-N 372.432 4.451 0 1 FIAF Oc1ccc2c(c1)[C@](c1ccc(Cl)cc1)([C@@H](O)c1ccccc1)NCC2 963343410 VRUNEQGMAIWAMZ-FCHUYYIVSA-N 365.860 4.169 0 1 FIAF O=C(O)c1csc(-n2nc(-c3ccccc3Cl)cc2C(F)(F)F)n1 1772613425 UDTXIBGOBQYHDX-UHFFFAOYSA-N 373.743 4.366 0 1 FIAF Cc1ccc(NC(=O)C2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 1857539471 WRSHMCWFWIENPC-UHFFFAOYSA-N 356.441 4.253 0 1 FIAF N=c1[nH]cc(C(=O)c2ccc(Cl)cc2)n1-c1ccc(C(F)(F)F)cc1 1857649657 NEVYJAMCEXHRDI-UHFFFAOYSA-N 365.742 4.188 0 1 FIAF CC(C)=CC[C@H](O)C(C)=CC=CC(C)=C[C@](C)(O)CC=CC=CC(=O)O 2356685675 AJIPQLGQGAHQQV-RBBKRZOGSA-N 360.494 4.491 0 1 FIAF CC=C([C@H](C)C1=CCCC(C)(C)C1)[C@@H]1[C@H](OC(C)=O)O[C@H]2OC(=O)C[C@H]21 2356806918 WAKWQRLYHBSGJG-RMIRORDLSA-N 362.466 4.130 0 1 FIAF CCCNC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 2382242815 CMFYHTPRQBFQBI-GGAORHGYSA-N 363.505 4.111 0 1 FIAF O=C(/C=C/c1ccc(Br)cc1)Oc1cc(=O)oc2ccccc12 2382260829 SFEBIWOONZJDIZ-JXMROGBWSA-N 371.186 4.174 0 1 FIAF O=C1CN(C(=O)C2CCCC2)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 2456586 REGJOHRDCDVNGP-HXUWFJFHSA-N 368.864 4.400 0 1 FIAF CCOc1ccc(NC(=O)/N=c2/sc3cc(C)cc(C)c3n2C)cc1 4059526 BFUNZYIDXRJIRP-XUTLUUPISA-N 355.463 4.388 0 1 FIAF O=C(O)c1ccccc1[C@]1(c2ccccc2)NCCc2c1[nH]c1ccccc21 15953715 NXUBORGAOWMMEE-DEOSSOPVSA-N 368.436 4.304 0 1 FIAF biogenic C[C@]12CC[C@@H]3[C@H](CC4(CC4)C4=CC(=O)CC[C@@H]43)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 26496891 NEYLJRNOSBUARA-IPXKPBQASA-N 366.501 4.450 0 1 FIAF CC(C)=CC[C@](C)(O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27889012 JKZODUNXNSYOAN-YZUZWNONSA-N 368.514 4.082 0 1 FIAF CCCCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1 28825033 KGIYPXCVFCYVBF-UHFFFAOYSA-N 367.493 4.301 0 1 FIAF COc1ccc(SCCCN2CCN(c3ccc(F)cc3)CC2)cc1 28886718 LWPJSNAYTULHLC-UHFFFAOYSA-N 360.498 4.139 0 1 FIAF CCC(=O)Oc1ccc2ccc(=O)oc2c1Cc1c(C)[nH]c2ccccc12 29062836 UMPLXJYSGPNJQG-UHFFFAOYSA-N 361.397 4.489 0 1 FIAF CC1CCN(c2ccc(N)cc2C(=O)c2ccc(Br)cc2)CC1 29322406 WBDADYITTDPGNU-UHFFFAOYSA-N 373.294 4.499 0 1 FIAF CC(=O)O[C@]1(C)/C=C/C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2[C@@H](O)C1 34081031 HXNTUGGXVUBGMN-LWOYXUSCSA-N 364.526 4.015 0 1 FIAF biogenic,in-vitro CN1CCN(c2ccc(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CC1 64559294 USPSSAUXBPWGIY-UXHICEINSA-N 354.881 4.078 0 1 FIAF Cc1cc(Nc2ccc(C(F)(F)F)c(C(F)(F)F)c2)n2ncnc2n1 71281303 OIKAFCNSMKUYRB-UHFFFAOYSA-N 361.249 4.214 0 1 FIAF COc1cc(/C=C/[N+](=O)[O-])c(/C=C/c2ccc(F)cc2)c(OC)c1OC 72123361 VTKTVRLYQIMYRM-GOKBKIRCSA-N 359.353 4.269 0 1 FIAF CC[C@@H](C(=O)Nc1ccccc1N1CCCC1)c1ccc(OC)c(OC)c1 95553998 JEGMZSGOJYGENU-QGZVFWFLSA-N 368.477 4.436 0 1 FIAF Cc1ccc(C(=O)N(C)c2nc(-c3cc(NC(C)C)ncn3)cs2)cc1 95572857 YWMSMVNZMJXUKI-UHFFFAOYSA-N 367.478 4.005 0 1 FIAF CCC(=O)c1ccc2c(c1)sc(=O)n2CCCCN1CCCCCC1 96916503 DQBDGGPNFSFTOA-UHFFFAOYSA-N 360.523 4.312 0 1 FIAF CC(C)(c1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(C(N)=O)c1)C2 101366424 VSDXEUDHEKJAHN-CEQLMSFQSA-N 364.489 4.095 0 1 FIAF Cc1ccccc1C(=O)Nn1c(S)nnc1-c1cccc2ccccc12 103213730 UHJHOWLRKDYZQF-UHFFFAOYSA-N 360.442 4.079 0 1 FIAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccnc1 103530843 ZGZMJHZRYBOVAD-ZDUSSCGKSA-N 368.462 4.149 0 1 FIAF COC(=O)/C1=C\C=C/C[C@@]2(C)C[C@@H](c3ccoc3)OC(=O)[C@@H]2CC[C@H]1C 138937235 LDIUDVOTXDYTPG-XSYHGFQASA-N 358.434 4.366 0 1 FIAF O=C1NC[C@@H](c2ccc(-c3ccccc3)c(F)c2)N1c1ccn2ccnc2c1 198381541 QMJZNNHCKNCTHD-FQEVSTJZSA-N 372.403 4.411 0 1 FIAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCCc2nc(N)sc21 220875960 JIRYTTRFYHXWKL-JTQLQIEISA-N 370.305 4.077 0 1 FIAF C[C@H]1CCCN([C@@H](CCN2CCOCC2)c2ccc(Cl)c(Cl)c2)C1 299825559 YVOMATWVFCSQME-KXBFYZLASA-N 371.352 4.489 0 1 FIAF COc1ccc2cc([C@H](C)C(=O)OCCSCC3(C)COC3)ccc2c1 299836373 ZIHUWTSUJXBYBP-HNNXBMFYSA-N 374.502 4.265 0 1 FIAF CC[C@H](C)OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990175 VVKSNRJJVYAHBQ-LBPRGKRZSA-N 361.397 4.036 0 1 FIAF Cc1ccc2c(ccc3nc(-c4nc(Cl)cnc4Br)[nH]c32)n1 587005446 IMMGIUHOYWAMPK-UHFFFAOYSA-N 374.629 4.292 0 1 FIAF Cc1ccc(-c2nc(-c3nc4cc(Br)ncc4[nH]3)cs2)o1 587016282 IYIVVUIXHCEYIF-UHFFFAOYSA-N 361.224 4.412 0 1 FIAF NC1CCC(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 587256014 ADXWRKHWZBZMTL-UHFFFAOYSA-N 362.193 4.329 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3cscn3)cc1)O2 587412076 GUMFTWHKFUCWMM-IBGZPJMESA-N 366.442 4.319 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OC(=O)N(C)C)CC2=O 587469891 PRYTZJLHGBVULX-LJQANCHMSA-N 369.417 4.112 0 1 FIAF CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587581486 LLECJLGELYYKQP-GHTZIAJQSA-N 364.401 4.010 0 1 FIAF CC1(C)CC2(CC(C)(C)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598372 XNSXEBDUFGMDLU-QGZVFWFLSA-N 367.445 4.033 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2N)N1 587734734 VHWUZZMKHOOAEC-XYZCENFISA-N 367.237 4.107 0 1 FIAF COc1ccc(C=O)c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1OC 587786683 OLZHGMIZVQKUIX-UHFFFAOYSA-N 350.296 4.078 0 1 FIAF COc1ccc(C[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587805070 DBESAZXOEOCTSJ-BZNIZROVSA-N 364.258 4.415 0 1 FIAF COC[C@@]1(C)CC[C@H]2[C@@H](CC[C@@H]3C[C@H](OS(=O)(=O)O)CC[C@]23C)[C@@H]1C 653914334 BAOURLXKYOAEIJ-UVSUZTNJSA-N 374.543 4.090 0 1 FIAF COc1cc(-c2cc3c(cc2Cl)N=C[C@@H]3C(=O)O)ccc1C(C)(C)CO 1772583128 LEPDOZPSTBOFOT-AWEZNQCLSA-N 373.836 4.170 0 1 FIAF CC(C)n1ncc2c(C(=O)Nc3cccnc3)cc(-c3ccsc3)nc21 1772613245 NOONIEJJBLTPEH-UHFFFAOYSA-N 363.446 4.388 0 1 FIAF Nc1ncccc1-c1cc(Cc2ccc(Cc3cccc(F)n3)cc2)no1 1857558337 UHSSCCVDIOQFPI-UHFFFAOYSA-N 360.392 4.035 0 1 FIAF C[C@H](O)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356496788 OCGURTBICGSGSG-VBLOWNSDSA-N 359.554 4.055 0 1 FIAF COc1cc2c(cc1OC)[C@H]1[C@H](OC)c3ccc4occc4c3O[C@H]1CO2 2356684068 LGJWBTKCQLVCIA-QKNQBKEWSA-N 368.385 4.075 0 1 FIAF Fc1c(Nc2ncnc3cc4c(cc23)OCCO4)cccc1C(F)(F)F 2382236090 CZFKRMGQEUSPRJ-UHFFFAOYSA-N 365.286 4.303 0 1 FIAF CSc1ccc(CN2CC[C@@]2(C)C(=O)N[C@@H]2CCc3ccccc32)cc1 61925844 LXODSPSAKYHCCS-IRLDBZIGSA-N 366.530 4.177 0 3 FIAF O=C(NCCCN1CCC(Cc2ccccc2)CC1)Nc1ccccc1 13443448 BKQLADJYVXOCJW-UHFFFAOYSA-N 351.494 4.153 0 1 FIAF CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccc(Br)cc3N2O1 26508264 BGGSRICBOHRXMJ-VQIMIIECSA-N 373.294 4.167 0 1 FIAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@@H]3CCOC3=O)[C@@H](C)CC[C@H]12 26579410 ZRFBDZGXQIKFNC-QSYHORGMSA-N 350.499 4.362 0 1 FIAF Cc1ccc(O)c(-c2nc(C(C)(C)C)ncc2Sc2nccn2C)c1 29128076 XVCZIYSTPMTWMA-UHFFFAOYSA-N 354.479 4.340 0 1 FIAF COc1ccc(-c2nn(-c3ccccc3)c3ncc(CCCO)cc23)cc1 40877708 ZCVSJMDMGRGOMX-UHFFFAOYSA-N 359.429 4.021 0 1 FIAF CCc1c(Oc2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O 43065477 SXLDXWBXXBRZSL-UHFFFAOYSA-N 356.466 4.088 0 1 FIAF COc1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)c1 73199296 RYDMGXWMEAHQPO-UHFFFAOYSA-N 366.808 4.044 0 1 FIAF O=C1c2ccccc2N2O[C@@]3(N4CCCC4)CCC[C@@H]3[C@]12c1ccccc1 73351222 QXRMPRQQGNQQQF-ACIOBRDBSA-N 360.457 4.122 0 1 FIAF C[C@@H](NC(=O)Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)c1ccccc1 95591504 MIWZYZZIWMTBTD-CYBMUJFWSA-N 374.404 4.028 0 1 FIAF O=C1[C@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)CCCN1Cc1ccccc1 103282709 JUCFSJPYMAGOEA-YJBOKZPZSA-N 364.272 4.466 0 1 FIAF Clc1ccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)cc1 139827405 PETCOQAVAZRVRV-UHFFFAOYSA-N 373.847 4.344 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@]23CC[C@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@H]1C3 169366006 PTGGVIKFNQSFBY-WAWLGLPPSA-N 358.478 4.210 0 1 FIAF O=C(O)CCCCCC[C@@H]1C(=O)CC[C@@H]1/C=C\[C@H](O)COc1ccccc1 261146329 NZGFSDWJUZOAAX-TXRHDWMZSA-N 374.477 4.003 0 1 FIAF in-vitro COC(=O)c1cc2[nH]c(CCSCc3ccc(C)cc3)nc2cc1OC 586971507 SWKPQHOEMYGRHI-UHFFFAOYSA-N 370.474 4.142 0 1 FIAF COc1cncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586987990 JXIVXEAUYNENMH-UHFFFAOYSA-N 354.365 4.222 0 1 FIAF FC(F)(F)c1ncc2nc(-c3cnc(Cc4ccccc4)s3)nc-2[nH]1 587022210 VZPTYDZKIRZQSN-UHFFFAOYSA-N 361.352 4.038 0 1 FIAF c1ccc(COc2cccc3nc(Cc4csc5nccn45)[nH]c23)cc1 587040799 QVOVYZKGJHQXFM-UHFFFAOYSA-N 360.442 4.442 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@H]3Cc4ccccc4S3)nc12 587043749 UQPIXBHZCFFCGG-SNVBAGLBSA-N 350.216 4.249 0 1 FIAF N[C@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1ccccc1Cl 587055265 AATNNIKFZSNZTJ-GFCCVEGCSA-N 368.637 4.360 0 1 FIAF Fc1c(F)c(F)c(/C=C\c2nc3cc4c(cc3[nH]2)OCCO4)c(F)c1F 587134202 KHYJEZAEKKVQIK-UPHRSURJSA-N 368.261 4.200 0 1 FIAF CC[C@@H](C)Oc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587442905 ZQPOWFILDBVTPI-JJJFATQHSA-N 368.429 4.370 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(OC)OC)c1F)CC2=O 587465123 AWBXWJVESNGRST-SFHVURJKSA-N 374.408 4.482 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)N(Cc2ccccc2)C1 587481044 XOQFEGBQCNSCGL-HJPURHCSSA-N 365.473 4.343 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1sc(N(C)C)nc1Cl)CC2=O 587493924 JFMYZOFMIBIKHD-CYBMUJFWSA-N 366.870 4.227 0 1 FIAF CNc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581329 VXRSPKYDKDMFEM-DENIHFKCSA-N 361.397 4.311 0 1 FIAF Cc1cc(C)cc(C(=O)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604431 WRLMDHAHQFQQAI-AUSIDOKSSA-N 374.392 4.222 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2N)N1 587729516 VRWWEZFMIIQUPH-VVVCHXIZSA-N 367.237 4.107 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nccnc23)N1 587778601 NGZWAMNMLYGZIM-BMLIUANNSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2C=O)N1 587848124 ZSXILGCSKOVWQT-CLAHSXSESA-N 354.244 4.086 0 1 FIAF COc1cc2c(cc1OC)[C@]1(CCC[C@H]([C@@H]3CCOC3)C1)N(C)[C@H](C)C2 962623420 IKFBJWMOWUYYBF-MPWIWIEXSA-N 359.510 4.002 0 1 FIAF COc1ccc2c(c1)cc(S(=O)(=O)c1ccc(C(C)(C)C)cc1)n2C 1857534313 GAIPMNXBTWOXRW-UHFFFAOYSA-N 357.475 4.317 0 1 FIAF Nc1c2c(nc3c1C[C@@H](c1c(Cl)cccc1Cl)C(=O)N3)CCCC2 1857577409 IOPTYGHMLDGMEX-JTQLQIEISA-N 362.260 4.128 0 1 FIAF CC(=O)OC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]21C[C@@H](c2ccoc2)O[C@@H]1O 2356330194 PMNBYUWBDASBNA-PWMJMLNLSA-N 360.450 4.339 0 1 FIAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@H]2C(=O)CC[C@H](C)[C@@]12C 2356619285 ZHYSGQLQAZCSGC-WJCRVLJPSA-N 360.450 4.197 0 1 FIAF O=C(O)[C@@H]1[C@@H]2CCCCC2=C2CCCC[C@H]2[C@H]1C(=O)Nc1nccs1 104290944 UAEKMUHPIUFOAJ-KLHDSHLOSA-N 360.479 4.089 0 3 FIAF CC[C@H](C)/C=C/C=C(\C)C[C@@H](C)/C=C/C=C/[C@H]1OC(=O)[C@H](O)[C@@H]2O[C@@]21C 3985422 NMEGHQQRWKBPQO-IMNRXHEYSA-N 360.494 4.117 0 1 FIAF Cc1c(-c2cccs2)nc(O)n1C1CCN(Cc2ccccc2)CC1 12356159 OEJDOSDQLNSUBL-UHFFFAOYSA-N 353.491 4.463 0 1 FIAF COc1ccc2c(c1)CCC1(CCN(CCc3ccc(F)cc3F)CC1)O2 13472066 ORRBREIXBAIZTQ-UHFFFAOYSA-N 373.443 4.376 0 1 FIAF COc1cc(O)ccc1[C@@H]1COc2cc(O)c(CC=C(C)C)c(OC)c2C1 14762838 RMSGVYITYQNZQO-AWEZNQCLSA-N 370.445 4.342 0 1 FIAF biogenic O[C@](Cn1ccnc1)(c1ccc(F)cc1)c1cccc(-c2cccnc2)c1 26939515 FHFIZGGBCUBMLB-JOCHJYFZSA-N 359.404 4.020 0 1 FIAF O=C(O)[C@@H]1CCCN(CCCOC=C(c2ccccc2)c2ccccc2)C1 27096584 IPOVQRUVKVUPFG-OAQYLSRUSA-N 365.473 4.279 0 1 FIAF O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1C[C@@H]1CNc2ccccc21 28239750 UWNODOKMPURDDA-VGOFRKELSA-N 367.452 4.444 0 1 FIAF Clc1cccc(Cl)c1Cn1cnc2c(N3CCCCC3)ncnc21 28476557 HUJPRGGOVABYMO-UHFFFAOYSA-N 362.264 4.172 0 1 FIAF COc1ccc2nc(C[C@H](c3ccccc3)N3CCCCC3)nc(O)c2c1 29463953 SMDWFHVIHBWRKN-HXUWFJFHSA-N 363.461 4.114 0 1 FIAF Cc1cc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)ccn1 40847824 NCWXGHMYPSARCR-ZDUSSCGKSA-N 367.840 4.259 0 1 FIAF COc1ccccc1CN1CCC(N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 40913419 VMTZVCFWJMJLQH-AAIMPIBUSA-N 356.554 4.464 0 1 FIAF C=CCc1cc2c(cc1O)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C 59234827 AEFIJALBGAGMIC-FKIZINRSSA-N 356.418 4.384 0 1 FIAF biogenic C[C@H](Cn1ncc2c(NCc3ccccc3F)ncnc21)c1ccccc1 72123533 ISWIFNASJWYINB-OAHLLOKOSA-N 361.424 4.381 0 1 FIAF Cc1c(-c2ccc(OCCN3CCCCC3)cc2)[nH]c2ccccc2c1=O 84668825 PRAZRVWUFGOMBD-UHFFFAOYSA-N 362.473 4.368 0 1 FIAF COc1c(-c2ccccc2)oc2c(ccc3oc(C(C)(C)O)cc32)c1=O 139205620 QQVYGNPZWNKYLN-UHFFFAOYSA-N 350.370 4.442 0 1 FIAF Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(C(N)=O)cc1 169304462 SXYRESGBCGHFIU-UHFFFAOYSA-N 360.461 4.286 0 1 FIAF COc1cc([C@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)ccc1OC(C)=O 238756248 OZGAPJXJJASVMN-IFMYKAFSSA-N 368.429 4.309 0 1 FIAF CCCCC[C@H](O)/C=C\[C@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2CO[C@@H]1C2 306146655 LQANGKSBLPMBTJ-SCRPUAEFSA-N 350.499 4.336 0 1 FIAF in-vitro CC[C@@]1(C)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 586887003 FCLYNIDZMKCUHP-QTTZVWFDSA-N 359.065 4.387 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3ccc(C)c(C)c3[nH]2)cc1 586969967 CSDZIAGLVQRDMI-UHFFFAOYSA-N 353.491 4.403 0 1 FIAF Cc1nc(-c2c[nH]cc2-c2nc3cc4c(cc3[nH]2)OCCCO4)cs1 587020423 ARGPNTXAVFROEZ-UHFFFAOYSA-N 352.419 4.151 0 1 FIAF Fc1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1Br 587034948 KRLCDKICIINBKR-NSHDSACASA-N 367.243 4.383 0 1 FIAF COC(=O)c1cccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 587070973 YUYHRDMAZPFJRH-NSHDSACASA-N 356.809 4.379 0 1 FIAF COc1c(F)cc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1F 587135267 XQBUAWUSWGSMEX-UHFFFAOYSA-N 357.129 4.418 0 1 FIAF COCC[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350838 SJFXSWQHYIDHMS-CTNGQTDRSA-N 358.409 4.322 0 1 FIAF COc1cc(OC)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587376221 QPWQUKIXZBROJG-IBGZPJMESA-N 361.825 4.128 0 1 FIAF CCCOc1c(OCC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587397856 BKQWWBCYTSXQSY-LJQANCHMSA-N 355.434 4.471 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(-n3ccnc3)cs1)CC2=O 587494999 OQUDKVPVJLZCTC-KRWDZBQOSA-N 354.431 4.298 0 1 FIAF O=C1CC(c2cccnc2)(c2cccnc2)Oc2c1ccc1c2CCCC1 587513306 CGVHFZJDNAUVNP-UHFFFAOYSA-N 356.425 4.264 0 1 FIAF CCC[C@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587523137 GOCWVPLDBYERHJ-OAQYLSRUSA-N 353.418 4.253 0 1 FIAF CC(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587601132 FAFWZQSHGRISTR-NFBKMPQASA-N 374.392 4.472 0 1 FIAF O=C(NC1CC1)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(Cl)cc1 587632869 LQKPSGHRTZUOFC-UHFFFAOYSA-N 356.784 4.084 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)C[C@]3(C)O[C@@H]32)N1 587837642 JOJVNVLLJDZLQR-PLDWSREQSA-N 368.290 4.295 0 1 FIAF COc1cc2c(cc1OC)[C@@](C)(c1ccc(Cl)cc1N)N(C)[C@@H](C)C2 962628615 PUTMYPGXHOQLTK-FKIZINRSSA-N 360.885 4.079 0 1 FIAF CC(=O)[C@H]1C(=O)CC(C)(C)C[C@]12NCCc1cc(-c3ccccc3)ccc12 962665503 ILGYDVPKTFPRRQ-LADGPHEKSA-N 361.485 4.289 0 1 FIAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1ccc(N2CCCC2)o1 962697805 GQWYGPGESHHFQF-VFNWGFHPSA-N 372.509 4.472 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(F)cc1F)C1CC1 963609110 LRLSJAFMRQXQKL-QKVFXAPYSA-N 359.416 4.170 0 1 FIAF NC(=O)c1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772618873 ISZMAJJLGUSGHT-UHFFFAOYSA-N 358.323 4.005 0 1 FIAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1 1772649916 FZYIAENYMNFOHJ-UHFFFAOYSA-N 353.805 4.061 0 1 FIAF C[C@H]1CN(c2snc3cc(/C=C/c4ccccc4)cnc23)C[C@@H](C)O1 1911574618 JOIVIGINZUIKMX-WNJITKBNSA-N 351.475 4.475 0 1 FIAF CNCC(=CCCC(=O)O)CCCCCCCC[C@H]1C=C(CO)CC1 2356761506 MMGHAYAESBNGFM-GOSISDBHSA-N 351.531 4.447 0 1 FIAF O=C1c2nc3ccccc3n2CCN1CCCCOc1ccc(Cl)cc1 2382242025 MPBQTGGBBWKIAQ-UHFFFAOYSA-N 369.852 4.005 0 1 FIAF COc1ccc([C@@H](CCN2CCCC2)c2c(O)cc(OC)cc2OC)cc1 13661640 BDSUONJLFCYUFN-LJQANCHMSA-N 371.477 4.036 0 3 FIAF CCN1c2ncc(CCCc3ccccc3)cc2C(=O)N(C)c2cccnc21 5842235 WGAFGKJZQIVWFL-UHFFFAOYSA-N 372.472 4.400 0 1 FIAF COc1cc(CCNCc2ccc(C)cc2)c(OC)cc1Br 13737384 FZBVRJKJVDTPEY-UHFFFAOYSA-N 364.283 4.107 0 1 FIAF COc1cc(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)cc1)C[C@@H]2O 14762590 VLWJOYMOYMWONM-FUHWJXTLSA-N 356.418 4.172 0 1 FIAF biogenic CCCCCCc1ccc(C(=O)CCN2CCC(C(=O)OC)CC2)cc1 14968939 QESMLDAGHLHSQF-UHFFFAOYSA-N 359.510 4.267 0 1 FIAF Cc1csc2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)n12 27563403 VETFJTITJRZTOX-UHFFFAOYSA-N 368.483 4.442 0 1 FIAF Cc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1 28951897 YPTLSGJVECLVDH-UHFFFAOYSA-N 371.227 4.187 0 1 FIAF Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 29696969 ITRMZYSEZBCBEC-MOPGFXCFSA-N 372.871 4.240 0 1 FIAF Cc1c(CN2CCN(C(=O)NC3CCCCC3)CC2)sc2ccccc12 43013380 JZGBDOLELJSRIE-UHFFFAOYSA-N 371.550 4.370 0 1 FIAF COc1ccc(C[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1F 45189863 XTAPPDIBRQTLHA-YVEFUNNKSA-N 371.374 4.107 0 1 FIAF CC1(C)C(C(=O)c2cn(CCCN3CCOCC3)c3ccccc23)C1(C)C 45254601 PWHNQETUZBGJRO-UHFFFAOYSA-N 368.521 4.229 0 1 FIAF CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1 49051192 NVAIDUCTTKMBKT-HOTGVXAUSA-N 372.394 4.141 0 1 FIAF Sc1nnc(-c2ccc(Nc3ccccc3-c3nnc(S)o3)cc2)o1 64499199 ZLOOVLLHZRGDQK-UHFFFAOYSA-N 369.431 4.108 0 1 FIAF COc1cccc([C@@]2(N3CCN(c4ccccc4)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 101511248 RTDVMDFFNLRZQE-BROAAPDQSA-N 362.517 4.389 0 1 FIAF Cc1ccnc(N[C@H]2CC[C@H](Oc3ncccc3C3CCOCC3)CC2)c1 261086523 CRQYLZWGTOUQFP-WGSAOQKQSA-N 367.493 4.481 0 1 FIAF Brc1cnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 587022477 RADJMFVEYUXBGP-UHFFFAOYSA-N 371.263 4.435 0 1 FIAF COC(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1OC 587085022 MNGPQKJZHNZFOG-UHFFFAOYSA-N 367.792 4.227 0 1 FIAF Fc1cc(Br)ccc1-c1nc2c(Br)ccnc2[nH]1 587142528 DJMZCYKAJOJKNF-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF OCCc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151400 YCGUBEWUHAPARI-NRFANRHFSA-N 361.420 4.438 0 1 FIAF COC(=O)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587230679 WZLXBRUBOIBKMP-UHFFFAOYSA-N 358.401 4.024 0 1 FIAF CCOc1ccccc1-n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587391580 SICZHUVNQLGAOB-OAQYLSRUSA-N 362.429 4.473 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CCCCN1C(=O)OC(C)(C)C)O2 587393397 HYTUOBPBBRSRNX-DYESRHJHSA-N 374.481 4.091 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccccc4)c1C)[C@@H](C2)C3=O 587430000 CKBUNOLGXWFYGP-MBSDFSHPSA-N 374.440 4.046 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCC(C)(C)C[C@H]1C(=O)OCC)CC2=O 587476255 ADWUMQPBATWDGI-AOMKIAJQSA-N 374.477 4.438 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@H](C(=O)OCC)c1ccccc1)CC2=O 587479356 ICEIVXJSOYVJJT-WOJBJXKFSA-N 368.429 4.025 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c(C(=O)OCC)c1C)CC2=O 587483310 LWMIWENJWKUDEW-KRWDZBQOSA-N 371.433 4.173 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cccs1)CC2=O 587495751 SPXHITYDRWTWPP-LJQANCHMSA-N 360.431 4.132 0 1 FIAF CCOC(=O)[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505589 PKQNFLRLXVSRRW-JOCHJYFZSA-N 368.404 4.128 0 1 FIAF O=C1C[C@@H](c2cc(F)nc(N3CCCC3)c2)Oc2c1ccc1c2CCCC1 587510844 XFTKNCPIRGNUQA-IBGZPJMESA-N 366.436 4.406 0 1 FIAF COc1cc(C)c(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587518974 RTOFDMOZCFGPLZ-KRWDZBQOSA-N 351.446 4.244 0 1 FIAF O=C1C[C@H](C[C@@H]2CCCCC23OCCO3)Oc2c1ccc1c2CCCC1 587534604 FHUGZUIBICIXQJ-IRXDYDNUSA-N 356.462 4.223 0 1 FIAF O=C1C[C@@H](c2cnc(Br)s2)Oc2c1ccc1c2CCCC1 587535748 OAOOSUUYZVVEPG-ZDUSSCGKSA-N 364.264 4.491 0 1 FIAF CCCn1nc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582037 NGALWUBJDGFZJP-WIYYLYMNSA-N 364.401 4.010 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccc(O)cc12 587586095 BBXAAZQORTWFPC-KNQAVFIVSA-N 373.364 4.282 0 1 FIAF Cc1[nH]c2ncccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589353 ODBJCOBZWXWBOP-NQIIRXRSSA-N 372.380 4.280 0 1 FIAF CCc1c(-c2cn(CC(=O)O)c3ccccc23)[nH]c2c(C(=O)O)cccc12 587638532 RSBKRWJTGNGRNT-UHFFFAOYSA-N 362.385 4.135 0 1 FIAF COc1cccc(F)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587722908 UIMRBWLWFOESHI-HUTHGQBESA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2cccc(F)c2)N1 587728831 FWHDVLQGKVPNSP-ZUZCIYMTSA-N 368.221 4.382 0 1 FIAF Cc1[nH]c2ncccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587803464 PZVVZYABODSTGS-XLFHBGCDSA-N 374.257 4.397 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCCC2=O)N1 587817726 ANYFQUQJBHXGRO-HSOHIQCKSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(C)(C)CC(=O)O)N1 587820501 AFCPEILLZBXBAS-BTDLBPIBSA-N 372.278 4.229 0 1 FIAF Cc1c(O)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587822631 PUQSNYRVGRPUSJ-HUTHGQBESA-N 350.231 4.226 0 1 FIAF CC[C@@]1(c2nccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587851098 AEPRWFBITGKQCI-RFAUZJTJSA-N 355.276 4.233 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(Cl)n2)N1 587856062 XSYYVHCQEQFVJX-PWCHPLFNSA-N 361.667 4.322 0 1 FIAF COc1cccc([C@@H](C)Cc2nc3cc(Br)c(C)nc3[nH]2)c1 587931088 LYVPOFQYSIIUOR-JTQLQIEISA-N 360.255 4.384 0 1 FIAF CCCOc1cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2cc1Br 587961806 XMHVDCKRAZPNEI-SNVBAGLBSA-N 369.259 4.158 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(C)ccc1OC(F)F 963054474 JNONLIJJWUPRGF-FQEVSTJZSA-N 370.399 4.388 0 1 FIAF Cc1ccnc2c1CCN[C@]2(c1ccccc1)c1oc2cc(N)ccc2c1C 963069333 DPGBZAZUVACWHU-DEOSSOPVSA-N 369.468 4.464 0 1 FIAF Cc1ccc(Cn2cc([C@@H]3NCCc4cc(Cl)ccc43)ccc2=O)cc1 963390647 MJSGRPPDYDPYBR-QFIPXVFZSA-N 364.876 4.094 0 1 FIAF CN1CC[C@@H](N(Cc2cc(F)ccc2Cl)c2ccc(N)c(Cl)c2)C1 2356399474 WPTAVCFMOBPXFI-OAHLLOKOSA-N 368.283 4.425 0 1 FIAF OCc1cccc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)c1 61902577 GTPKYPJVNVSUFU-KRWDZBQOSA-N 365.376 4.101 0 3 FIAF COc1cccc([C@H](NC(C)=O)c2nc(-c3cc(F)cc(F)c3)cs2)c1 205231597 YHAAXFDCWRXVKE-SFHVURJKSA-N 374.412 4.322 0 3 FIAF COc1ccc([C@@H](OC)c2nccc3cc(OC)c(OC)cc23)cc1OC 5141288 MNBJQMJWRBOBEX-OAQYLSRUSA-N 369.417 4.005 0 1 FIAF biogenic COc1cc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1O 13832548 KSHVLZCXVJYRNF-QPJJXVBHSA-N 352.217 4.037 0 1 FIAF Cc1cccc(OC[C@H](O)CNC(C)(C)Cc2c[nH]c3ccccc23)c1C 26729875 BBPGKESXCOQWJE-LJQANCHMSA-N 366.505 4.135 0 1 FIAF COC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 40712185 MAQMGMISLYBNHO-LBBPATDESA-N 372.505 4.385 0 1 FIAF CC(C)/C=C/Cc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 49089457 XHRMNTNDCDDFQR-GNAXCBTBSA-N 354.402 4.265 0 1 FIAF NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccc(O)cc1 53296901 QNLDNZHJFQMGHT-OAHLLOKOSA-N 366.273 4.094 0 1 FIAF COc1cccc([C@@H]2CC3=Nc4ccc(F)cc4S(=O)(=O)C3=C(O)C2)c1 100796322 CNJZKFKRTCGDBQ-GFCCVEGCSA-N 373.405 4.041 0 1 FIAF Cn1c2cnc1ONC(=O)CCCCCCCCCOc1ccccc1-2 103244449 SDJYAZMSSOETBA-UHFFFAOYSA-N 357.454 4.010 0 1 FIAF Cc1nc2cc(Nc3nccc(-c4ccccn4)n3)cc(C(F)(F)F)c2[nH]1 144311711 ZIRCZLGNQFKUEC-UHFFFAOYSA-N 370.338 4.486 0 1 FIAF Nc1ncc(-c2cc([C@@H]3CCOC3)n([C@@H]3CCC(F)(F)C3)n2)cc1Cl 146511683 STCUXMPUBAGDFS-ZYHUDNBSSA-N 368.815 4.045 0 1 FIAF CC[C@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 169305921 UMODTPQPINIWKV-SVCSISOJSA-N 353.506 4.066 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4Nc5oncc5C[C@]4(C)[C@H]3CC[C@]12C 254113671 HPKLKMDASAMZLY-OZFZSNIHSA-N 358.482 4.186 0 1 FIAF O=CN[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261168257 SIWFRLSPUANOPO-UAPYVXQJSA-N 354.494 4.307 0 1 FIAF COc1c(F)cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1F 587134442 GFUITLSURWYZMY-UHFFFAOYSA-N 366.371 4.348 0 1 FIAF Fc1cc(Cc2nc3c(S)nc(S)nc3[nH]2)ccc1-c1ccccc1 587144868 FFUJWYGYJYXNGB-UHFFFAOYSA-N 368.462 4.327 0 1 FIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)C 587401586 SRXPPYDNTQEFHQ-IBGZPJMESA-N 355.434 4.470 0 1 FIAF CC[C@H]1c2cc(OC)ccc2CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587403699 PYDWUQWFACHVKC-PGRDOPGGSA-N 351.446 4.430 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccnc1-c1ccc(F)cc1)[C@@H](C2)C3=O 587427084 GSNZXAYWBUOHQC-JTSKRJEESA-N 361.372 4.385 0 1 FIAF CCCCCC[C@@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439762 CVDMBTHMKXULLL-GSHUGGBRSA-N 374.477 4.351 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cn1)CC2=O 587458218 HVJCUZXFFGVTNR-MRXNPFEDSA-N 362.223 4.209 0 1 FIAF O=C1C[C@@H](CC2CCC3(CC2)OCCO3)Oc2c1ccc1c2CCCC1 587536244 SREZCGQBUZKDJR-QGZVFWFLSA-N 356.462 4.223 0 1 FIAF C[C@]1(c2ccc(OC[C@@H]3CO3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587536255 SUJKLAFZOVIZAJ-WZONZLPQSA-N 364.441 4.224 0 1 FIAF C[C@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555206 ZGNGAPICPPXTQJ-OXQOHEQNSA-N 367.788 4.318 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2cccnc2c1 587586944 MCXKZCNLPZXOGB-KNQAVFIVSA-N 370.364 4.038 0 1 FIAF CCc1noc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588921 VIOBFVZXWXCWKO-RXVVDRJESA-N 365.385 4.128 0 1 FIAF C[C@]1(c2ccc(C=O)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615300 WATSPUNZGXYVIO-FXAWDEMLSA-N 366.394 4.143 0 1 FIAF Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587619843 ZVRUWODMKOUEQQ-UWJYYQICSA-N 350.370 4.479 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(F)c(F)c2)N1 587715110 HCMLCSPSAWGIOW-HYORBCNSSA-N 372.184 4.196 0 1 FIAF CCOC(=O)c1ccc2nc(-c3cc(OCC)ccc3OCC)[nH]c2c1 587778017 HIAGKQDHDOOZNK-UHFFFAOYSA-N 354.406 4.204 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncccc3o2)N1 587778336 MDUKOJYGLQKSPZ-VVVCHXIZSA-N 361.214 4.353 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nc[nH]c23)N1 587808505 ZLTPJJMXHQJTBD-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)c(OC)cc2[nH]1 587928092 WJJFMJMOKVBHCJ-ZDUSSCGKSA-N 356.422 4.139 0 1 FIAF CCc1ccc(C(=O)CCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587955774 NZMJHDAOIGICHC-UHFFFAOYSA-N 350.315 4.497 0 1 FIAF Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@H]1Cc2ccccc2CO1 653827666 FVTBTHDXSZOXNU-OAQYLSRUSA-N 362.404 4.155 0 1 FIAF C[C@@]12CCCC[C@H]1CC[C@@H]1OC(=O)[C@H](Cc3c[nH]c4ccccc34)N=C12 653833210 DIBLVEZWQKLALO-SXTKRDDTSA-N 350.462 4.436 0 1 FIAF c1cncc(-c2nc(N[C@H]3COc4ccccc4C3)c3ccccc3n2)c1 1772647002 NMYSKFXCEWTIDV-QGZVFWFLSA-N 354.413 4.107 0 1 FIAF Cc1cc(OC(=O)c2ccccc2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 1857631096 NRYOYROSGMYAMP-QKMWGZLOSA-N 350.414 4.319 0 1 FIAF COc1cc2c3c(ccc2cc1O)-c1cc(OC)c(OC)cc1[CH]N3C 2356847336 QALRAECZPMLTHC-UHFFFAOYSA-N 350.394 4.198 0 1 FIAF CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cncc3ccccc23)n1 2382235674 TWTXRDKVJJKFDJ-UHFFFAOYSA-N 373.420 4.113 0 1 FIAF COc1cccc(/C=C2\C[C@@]3(OC(=O)C4CCCCC4)CCCN2C3)c1 96018934 QGZWZVAYLKBXFX-JJEHFPDLSA-N 355.478 4.398 0 3 FIAF CCc1nc(N)nc(N)c1-c1ccc(NCc2csc(Cl)c2)cc1 13685971 HIKCEIZHQIIQHG-UHFFFAOYSA-N 359.886 4.197 0 1 FIAF O=C(Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1ccccc1 17729427 JVKHRSMNVBDUPH-UHFFFAOYSA-N 358.349 4.385 0 1 FIAF biogenic CC1=CC[C@@H](C[C@@H](O)c2ccccc2I)C(=O)CC1 26745260 UUAJNSLAOHKNRM-BLLLJJGKSA-N 370.230 4.030 0 1 FIAF O=S(=O)(c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(F)(F)F 28219788 ZBBUBEXEJQMOLU-UHFFFAOYSA-N 352.337 4.037 0 1 FIAF Nc1ccc(S(=O)(=O)Oc2c3ccccc3cc3sccc23)cc1 28826838 KICDCFABAXJTJX-UHFFFAOYSA-N 355.440 4.404 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2CC(CCCCC(=O)O)=C[C@H]2C[C@H]1O 34033199 JANVYOZZTKSZGN-ILZCSZLASA-N 350.499 4.072 0 1 FIAF in-vitro CC(=O)Nc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1 34055831 DDWGBWGWGYPXLA-UHFFFAOYSA-N 369.428 4.065 0 1 FIAF COc1ccccc1OC(=O)C=C1c2ccccc2C(=O)c2ccccc21 40380723 ZUFBIOKMHWXWRL-UHFFFAOYSA-N 356.377 4.277 0 1 FIAF O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccncc1 40860510 ZOHWYWWNAFBEIH-UHFFFAOYSA-N 365.396 4.221 0 1 FIAF COc1ccc(-c2cnc3[nH]cc(-c4ccc(CCC(=O)O)cc4)c3c2)cn1 45227643 FBPUDHXFAWCQLN-UHFFFAOYSA-N 373.412 4.318 0 1 FIAF S=C1Nc2sc3c(c2CN1CCCn1ccnc1)CCCCCC3 45284477 ZBOKQALXBQUHDC-UHFFFAOYSA-N 360.552 4.206 0 1 FIAF c1ccc(Cc2ccc(OC[C@@H]3CN(Cc4ccccc4)CCN3)cc2)cc1 49089064 POXGQRTZXDIFDA-DEOSSOPVSA-N 372.512 4.130 0 1 FIAF COC(=O)/C1=C\C=C(\C(C)C)CC/C(C(=O)O)=C/CC[C@]2(C)O[C@H]2CC1 96915197 MIIQIVJHZBLXCK-IPUQYOQZSA-N 362.466 4.191 0 1 FIAF C[C@H](COc1cccc(C(F)(F)F)c1)OC(=O)NCc1ccccc1 103190615 SXOHFGFVGMSJLL-CYBMUJFWSA-N 353.340 4.399 0 1 FIAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ccno2)c1 113756602 RBDURVWEFYGQPG-HNNXBMFYSA-N 350.418 4.082 0 1 FIAF Cc1cc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Cl 587113180 YUHPUQNECAZIRZ-UHFFFAOYSA-N 367.758 4.474 0 1 FIAF Cc1ccc(-c2ccc(-c3nc4c(O)nc(O)nc4[nH]3)c(Cl)c2)cc1F 587147301 LIGMCQRHTUGHDB-UHFFFAOYSA-N 370.771 4.199 0 1 FIAF COc1cc(-c2nc3ccc(OC(C)C)cc3[nH]2)nn1-c1ccccc1F 587155742 GJJRICJCWYGPCB-UHFFFAOYSA-N 366.396 4.351 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(C(=O)OC)cc1)CC2=O 587482707 VDFNVPBUESKTRO-QFIPXVFZSA-N 368.429 4.402 0 1 FIAF CN1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587581059 FYSUEARZBJIKAF-NFBKMPQASA-N 373.408 4.089 0 1 FIAF Cc1ncsc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616765 GREOTWPYJPLXKN-BEFAXECRSA-N 353.399 4.034 0 1 FIAF CCc1cccnc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587774773 XQLWPWKWLICOSK-ADLMAVQZSA-N 363.274 4.343 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cccnc32)N1 587778198 LNKHSTSUCCFGLZ-ADLMAVQZSA-N 361.258 4.097 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3[nH]ncc23)N1 587790416 CUMYLPLSOFOEDQ-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc[nH]c3nccc2-3)N1 587801977 JGOLMLJWQRSOOE-XTZNXHDOSA-N 374.257 4.214 0 1 FIAF CC(C)[C@@H]1C[C@]2(CS1)N[C@H](C)Cc1cc(Br)c(F)cc12 587858493 RGZZGRKSDLFGJJ-HPEXNQPKSA-N 358.320 4.479 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(=O)OC)ccc1F 587871542 ZANYIUYEVLLEBD-UHFFFAOYSA-N 358.344 4.003 0 1 FIAF C[C@H](CCC(=O)O)Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587963478 XSEFTJDJUIMUOQ-SSDOTTSWSA-N 350.724 4.158 0 1 FIAF COc1cc(/C=C\c2ccc3c(c2)c(C=O)cn3C)cc(OC)c1OC 1857774180 KXZDHEFSVRBESM-WAYWQWQTSA-N 351.402 4.187 0 1 FIAF Cn1nc(-c2ccccc2)c2c(/C=C/c3ccc(Cl)cc3)onc2c1=O 1622841 ZEODZWIPMTXALN-FMIVXFBMSA-N 363.804 4.412 0 1 FIAF CCN(CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1 3904214 OCSQLIYKMCOZCT-IBGZPJMESA-N 357.885 4.248 0 1 FIAF Cc1ccsc1CN1CCc2nc(Nc3ccc(F)cc3)ncc2C1 21639792 FVBLHZGFJKSXOH-UHFFFAOYSA-N 354.454 4.288 0 1 FIAF C[C@@H]1CCO[C@@]2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1 28525475 UFBTXBXBMIBAIJ-OREJSRFESA-N 354.425 4.273 0 1 FIAF O=C(O)C(=O)CC(=O)c1cccc(OCc2ccc(-c3ccccc3)cc2)c1 28527941 VGGJWOZBQDWHFE-UHFFFAOYSA-N 374.392 4.159 0 1 FIAF Fc1ccc([C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3)O2)cc1 28768160 KHBVWCGCBHAJJZ-RBUKOAKNSA-N 358.800 4.317 0 1 FIAF Cc1ccc2c(c1Cl)NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 28884529 NCVWBQMWRZGFFO-UHFFFAOYSA-N 365.816 4.346 0 1 FIAF S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccccc1 49113956 DTOKGNWGWMEHFP-UHFFFAOYSA-N 351.416 4.119 0 1 FIAF CNC(=O)N(C)C(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49783614 KNJQPBZNDQJXNX-CYBMUJFWSA-N 357.281 4.455 0 1 FIAF COc1cc(C(=O)c2cc3c(OC)cccc3s2)cc(OC)c1OC 53230710 FKEWVVHOJJROJW-UHFFFAOYSA-N 358.415 4.167 0 1 FIAF CCOc1nc2ccccc2nc1C(=O)Nc1ccc(N(CC)CC)cc1 66113271 XHZONUGEBIDMTC-UHFFFAOYSA-N 364.449 4.127 0 1 FIAF C[C@@]12CO[C@H](C1)[C@H](COCc1ccccc1)[C@H]2C/C=C/CCCC(=O)O 100757403 UBCWSGJBNGDBOC-ROXJPJLASA-N 358.478 4.446 0 1 FIAF COC(=O)[C@H]1C[C@]23CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 100779934 USASLHCCADYMNF-VKORBZCGSA-N 362.510 4.362 0 1 FIAF endogenous,in-man OC1=C2C(=Nc3ccnn3[C@@H]2c2ccc(F)c(Br)c2)CCC1 100789274 GQUKOTYKCDLZDP-MRXNPFEDSA-N 362.202 4.456 0 1 FIAF Cc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)nc3c2CCCC3)cc1 103171934 LJZJTKSTSCITFW-UHFFFAOYSA-N 366.486 4.130 0 1 FIAF CC(C)n1[nH]cc2nc(-c3cn(-c4ccccc4)nc3-c3ccncc3)nc1-2 103588225 QOZQIPDUIHIVJE-UHFFFAOYSA-N 369.432 4.207 0 1 FIAF O=C1OC[C@@H](c2ccc(C3CCOCC3)cc2)N1c1ccc2[nH]cnc2c1 116829153 RIBOAZMIUNPPNA-FQEVSTJZSA-N 363.417 4.155 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(C)=O 118932723 DJJZPTWGFYVUFB-OGNUZGJXSA-N 374.521 4.059 0 1 FIAF NC(=O)c1ccccc1Nc1nc(Nc2ccc(Cl)cc2)ncc1Cl 169322411 ZBBJZAWEQIRJKZ-UHFFFAOYSA-N 374.231 4.370 0 1 FIAF O=c1oc2ccc(-c3ccccc3)cc2c2c1[nH]c(=O)n2-c1ccccc1 210273440 YQBVZQCHZHPKCM-UHFFFAOYSA-N 354.365 4.092 0 1 FIAF O=C(NCc1c(Cl)cc(Cl)cc1C1CC1)[C@H]1COc2ncsc21 220861706 RGAKGPSSFKSYJF-LBPRGKRZSA-N 369.273 4.120 0 1 FIAF COC(=O)c1cc2nc([C@@H](O)CC(C)C)[nH]c2c(F)c1Nc1ccccc1 586901547 SBNIHWXFOKDKSL-HNNXBMFYSA-N 371.412 4.312 0 1 FIAF Clc1cccc(-n2nc(-c3nc4cnncc4[nH]3)cc2-c2ccco2)c1 587067896 BCDYJRBAVRCAFQ-UHFFFAOYSA-N 362.780 4.119 0 1 FIAF COc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)c(Cl)n1 587083570 AWCHCLUPZOTIOA-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF C[C@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587172137 WSSWJEBVTCWNSA-LLVKDONJSA-N 355.438 4.483 0 1 FIAF C[C@]1(C2(O)CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348871 DYLJSRFCHLEHBU-FPOVZHCZSA-N 370.420 4.344 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3cccnc3)cc1)O2 587394615 JBKXNQPVUUADAL-NRFANRHFSA-N 360.413 4.258 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(Cl)s1)O2 587409971 KAXZLERUKXVAIV-KRWDZBQOSA-N 365.838 4.018 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1N1CCCCCC1)[C@@H](C2)C3=O 587440729 BRIUUUFQAUSALH-LRXVAGHRSA-N 355.478 4.000 0 1 FIAF CCOc1cccc(OCC)c1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443985 XKIKKHKZDZBKDO-IVZQSRNASA-N 368.429 4.155 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)nc2)N1 587706892 SKLLNINWUVDRDI-ABKXIKBNSA-N 369.665 4.434 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCCC[C@H]2C)N1 587761076 OFGZEOZEPIYGJK-SNUQEOBHSA-N 369.322 4.212 0 1 FIAF CC(C)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 587792556 IYELSSSMZXFBGU-JDNHERCYSA-N 353.235 4.323 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3n2)N1 587799321 XXSGTRFZTOUMNE-QGHHPUGFSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C2(C)CC2)N1 587816147 UUPACLCDJNEAQI-BMLIUANNSA-N 354.263 4.097 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C)c(C)c1 587870477 KQWTTZIZCBHDOO-UHFFFAOYSA-N 368.408 4.424 0 1 FIAF CC(C)c1nn(C)c2c1[C@](c1ccc(F)cc1F)(C1CCCC1)NCC2 962922898 RLPIVYZDCDTLCH-OAQYLSRUSA-N 359.464 4.401 0 1 FIAF CCc1cccc([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962971213 STWITUWMWJHNRC-KXBFYZLASA-N 365.807 4.043 0 1 FIAF CCCOc1ccc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1CO 963096378 NFIRHOAGDKGTCP-KNQAVFIVSA-N 355.453 4.217 0 1 FIAF COc1cc2c(cc1[C@@H]1c3ccc(F)cc3C[C@H]3CCCN13)O[C@H](C)C2 963114577 UUVUYEIKIZGIMK-OLPMXTGOSA-N 353.437 4.268 0 1 FIAF COc1cc2c(cc1C)CCN1Cc3c(ccc(OC)c3OC)[C@H](C)[C@H]21 2356330782 RJBZUUJYCNBKRV-LHSJRXKWSA-N 353.462 4.237 0 1 FIAF Nc1ncc(-c2ccc(OCC(=O)O)cc2)cc1-c1ccc(Cl)cc1 2382243095 TYUVOSCOPCOESA-UHFFFAOYSA-N 354.793 4.115 0 1 FIAF O=C(NC1CCCCC1)N1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 13116818 QRQOCEOUKIXYCR-UHFFFAOYSA-N 360.889 4.438 0 3 FIAF COc1cccc2c1NC(=O)Cc1c-2[nH]c2ccc(Br)cc12 1654970 IZRNPQQLTKFPRZ-UHFFFAOYSA-N 357.207 4.101 0 1 FIAF COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3O[C@@H]2c2cccnc2)cc1 13220603 QBKCEPIJQDHOSD-IFMALSPDSA-N 361.397 4.199 0 1 FIAF CCCN(C=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 13740905 XHPVQFBYVYPXDZ-MAMZKFLISA-N 374.569 4.087 0 1 FIAF CC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2cccnc2)/C1=C(\O)OC(C)C 24193037 OPOVKZABKQBLKA-CQGUWYRNSA-N 358.438 4.060 0 1 FIAF COc1cc(C(=O)c2csc(-c3ccc(F)cc3)n2)cc(OC)c1OC 40891696 LNESSNOGBADQPV-UHFFFAOYSA-N 373.405 4.206 0 1 FIAF in-vivo Cc1cccc(N2CCN(Cc3nnc(-c4ccccc4C)o3)C[C@@H]2C)c1 59503681 VBFHPVRCOYWBCF-SFHVURJKSA-N 362.477 4.064 0 1 FIAF COc1ccccc1Oc1cncc(NC[C@@]2(C)C[C@H](O)CC(C)(C)C2)n1 82068875 SGQQZFQEFWCAAE-VFNWGFHPSA-N 371.481 4.267 0 1 FIAF O=C(Cc1ccc(Cl)cc1Cl)c1cn(CCc2ccccc2)nn1 96932342 ZUTVLBFZVBUNLU-UHFFFAOYSA-N 360.244 4.253 0 1 FIAF O=C(Nc1ccccc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2)cc1 100106029 RZGDTBCJGMJDEY-JKHIJQBDSA-N 369.468 4.325 0 1 FIAF CC(=O)O[C@H]1/C=C(/C)CC/C=C(/C)[C@@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169365558 CLLDSYFHQCFUQA-OCPQYDOBSA-N 364.526 4.325 0 1 FIAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=S)OC[C@]4(C)[C@H]3CC[C@@]12C 253663977 JIAXPKPFEUBJEA-WUMWUFLWSA-N 365.583 4.089 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc12 586883244 AFRATFDVFXWRGQ-SCLBCKFNSA-N 354.251 4.400 0 1 FIAF Oc1ccc(C2(c3nc4ccc(Br)cc4[nH]3)CCOCC2)cc1 586913103 MMZFWYUVJXWFFD-UHFFFAOYSA-N 373.250 4.128 0 1 FIAF CC(C)(SCc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)O 586960731 XUQVCHNBDSIENY-UHFFFAOYSA-N 363.664 4.075 0 1 FIAF [O-][n+]1ccccc1SCc1nc2cccc(OCc3ccccc3)c2[nH]1 586970279 VWLQUSRECVAXPQ-UHFFFAOYSA-N 363.442 4.068 0 1 FIAF Cc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 587001563 SVSWPVGOUZOTEN-AWEZNQCLSA-N 369.266 4.358 0 1 FIAF Fc1c(F)c(F)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1F 587017567 NJWSWGYFVMCFRJ-UHFFFAOYSA-N 353.300 4.427 0 1 FIAF CC(C)(C)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 587040280 GUPQTVPICVQUEB-RDJZCZTQSA-N 352.507 4.202 0 1 FIAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 587158761 IEKVMZIHZVTDSF-UHFFFAOYSA-N 364.771 4.103 0 1 FIAF O=C(NC[C@H]1CCc2nc3cccc4c3c(c2C1)CC4)OCc1ccccc1 587214412 ZNGLGCFUBXMDJB-KRWDZBQOSA-N 372.468 4.365 0 1 FIAF C[C@]1(c2ccnc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331850 CAYPVQNDVRTFPV-TZIWHRDSSA-N 367.351 4.340 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@H](C)CC(=O)O)O2 587377144 HDFYQJCXLIRNGY-MPBGBICISA-N 373.836 4.202 0 1 FIAF CC(=O)OCc1c(C)cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587399390 JRJQPZIYLIRDCJ-FQEVSTJZSA-N 367.445 4.272 0 1 FIAF CC[C@H](C)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587402258 WKAFWAHKIAYEEM-DJJJIMSYSA-N 355.434 4.470 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](C[C@@H]1CCCCC13OCCO3)CC2=O 587483464 FPNZZAQFZYCRLD-GJZGRUSLSA-N 360.450 4.002 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@](C)(O)C[C@H]1C[C@H]3CC[C@H]1C3)CC2=O 587488528 KMGYCGBLJUWSER-AEOXVINBSA-N 358.478 4.256 0 1 FIAF COC(=O)[C@H](N=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587625495 IUQBUJIKBONNSV-LLVKDONJSA-N 368.233 4.494 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccn2)N1 587700123 LTBFUYGNZNUEEE-XXFAHNHDSA-N 369.665 4.434 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2Cl)N1 587701246 WVMHESLBPPGMFW-FVMDXXJSSA-N 369.665 4.434 0 1 FIAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587718580 NKUNINJRVNLJRI-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF CCCn1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587757991 WMRAQARTTVXQMB-GTNSWQLSSA-N 351.263 4.423 0 1 FIAF CCOC(=O)c1cnc(Cl)cc1-n1nc2cc1Oc1ccc(F)cc1-2 587874023 NWKQKKVYRPPVON-UHFFFAOYSA-N 359.744 4.009 0 1 FIAF COc1cccc(-c2cc(O)cc(-c3nc4cnc(Cl)[nH]c-4n3)c2)c1 587931645 CFBYMOMDHMAXDJ-UHFFFAOYSA-N 352.781 4.006 0 1 FIAF CC(C)N1CCN(Cc2c(CC3CCCC3)[nH]c3ccnc(Cl)c23)CC1 1772584740 KTTCJDHTQINUPE-UHFFFAOYSA-N 374.960 4.475 0 1 FIAF COc1ccc2c(c1)C1=CC[C@@H]3C[C@@H](OCc4ccccc4)CN3[C@H]1CC2 1772599891 URKXWBYEBMZYFN-ZYKOEDHHSA-N 361.485 4.457 0 1 FIAF COc1ccc(-c2nc3ccc(NC(=O)Nc4ccc(C)cc4)cn3n2)cc1 1857582396 OGBSJZXLCPFOHI-UHFFFAOYSA-N 373.416 4.357 0 1 FIAF CC(=O)c1cccc(-c2cc3c(cn2)[nH]c(=NCc2ccccc2F)n3C)c1 1857592485 RNLFRKIAJGIYIA-UHFFFAOYSA-N 374.419 4.011 0 1 FIAF COc1cc2cc(C(=O)CCC(=O)OC(C)(C)C)sc2cc1OC 1857612498 SOMAXGSQHFGSLP-UHFFFAOYSA-N 350.436 4.223 0 1 FIAF Cc1ccc(S(=O)(=O)c2cc(C(F)(F)F)c(O)c3ncccc23)cc1 1857632652 LYYJBDBNQIZSSM-UHFFFAOYSA-N 367.348 4.100 0 1 FIAF CC(=O)O[C@@H]1CC=C(C)C[C@H](O)[C@@H]2[C@H](C(C)(C)O)CC[C@@]2(C)C=C[C@H]1C 2356384114 LDLGSJAYMQJUJA-RAYWZDFNSA-N 364.526 4.015 0 1 FIAF COC(=O)C1=C2CCC3=C2[C@@]2(C1)[C@H]1[C@@H]4CC[C@@]2(C)[C@@H](CC3)CN1C[C@@H]4C 2356816086 CXNYOLGASMNGBW-MJMHTUNXSA-N 353.506 4.097 0 1 FIAF CCn1c(C(=O)NCCCN2CCCC[C@H]2C)cc2sc(Cl)cc21 5036513 AHCOFPCFYLYNMK-CYBMUJFWSA-N 367.946 4.370 0 1 FIAF COc1ccccc1C(=O)[C@@H]1CCCN(Cc2ccnc3ccccc23)C1 11938618 HFJQKCHIXGAUTG-GOSISDBHSA-N 360.457 4.338 0 1 FIAF O=C(c1ccc(F)cc1)C1CCN(CC[C@H]2CCc3occc3C2=O)CC1 13471712 GYKDCMFZJCNANX-MRXNPFEDSA-N 369.436 4.149 0 1 FIAF O[C@@H](Cc1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1 13730000 FIFLUTNSIVHHPL-QHCPKHFHSA-N 355.497 4.464 0 1 FIAF COc1ccc2c(c1)CCC[C@H]2CN(C)CCc1ccc2c(c1)OCO2 13761392 KPQSBSMTIXJNED-SFHVURJKSA-N 353.462 4.018 0 1 FIAF COc1cc(O)cc2c1C[C@@H](c1ccc(OC)c(CC=C(C)C)c1O)CO2 14762830 RRBCXJUMJUPDST-CQSZACIVSA-N 370.445 4.342 0 1 FIAF endogenous,in-man COc1cc2ccnc(C(=O)c3ccc(Br)cc3)c2cc1OC 26667606 FJBAHTQLLHHPLY-UHFFFAOYSA-N 372.218 4.246 0 1 FIAF COc1cccc(C(=O)N[C@](C)(C(=O)c2ccccc2C)C(C)C)c1C 27524745 BAOVKPRCRZUKAO-QFIPXVFZSA-N 353.462 4.339 0 1 FIAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@H](CC1CCCC1)C2 27636260 JTVVMYLRHFDGOB-LLVKDONJSA-N 357.233 4.392 0 1 FIAF CCC[C@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 29474733 ILZGABAAVFSXBX-ZMVGRULKSA-N 353.506 4.066 0 1 FIAF COC(=O)Oc1cc2c(cc1OC)[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2 49015207 VPNCZLQFIHTDBF-WMGWYHAVSA-N 358.434 4.266 0 1 FIAF CC(C)(C)OC(=O)NC[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccs1 100909335 LZUOWUYBFWNJBN-JJQNBFRTSA-N 360.523 4.139 0 1 FIAF FC(F)(F)Oc1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1 169306621 VOBQUWMIJFHIGD-UHFFFAOYSA-N 356.307 4.357 0 1 FIAF CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(CCc3ccccc3)[C@@H](C2)[C@@H]1C 169342264 KXSOEMFNWSNSQG-DPSWKAHMSA-N 363.501 4.379 0 1 FIAF COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(O)cs2)cc1 169726272 AZMWIUYEZBYQSF-KRWDZBQOSA-N 351.431 4.213 0 1 FIAF CCC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@H](C)c2ccccc2)cc1 299860640 GXJPLTPOMVKXAT-SVMVAKDDSA-N 369.505 4.455 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1OC 587024152 XCJUHIUGIDXCQD-UHFFFAOYSA-N 365.414 4.149 0 1 FIAF Cc1c(CC(=O)C(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O 587103151 FEFWEGMOLAAJQU-UHFFFAOYSA-N 355.315 4.429 0 1 FIAF O=C(Nc1cccc(-c2nc3ccc(CO)cc3[nH]2)c1)c1ccc(F)cc1 587164241 ZBPCJWYCMGVRPO-UHFFFAOYSA-N 361.376 4.114 0 1 FIAF COc1ccccc1C[C@H]1CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587398245 DHSAUBOESSOSJO-OPAMFIHVSA-N 351.446 4.333 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3nc(Cl)sc3C1)CC2=O 587495129 NNUHLEYOEIFMNN-SFHVURJKSA-N 363.866 4.348 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3SCCS[C@@H]31)CC2=O 587497356 CCXDVGGTIOJZLI-BPQIPLTHSA-N 350.505 4.060 0 1 FIAF COc1cccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553365 ANZBQWWKDTXYOZ-NQIIRXRSSA-N 366.344 4.243 0 1 FIAF Cc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587588107 OYTUMROLCMDKEE-AZUAARDMSA-N 361.397 4.059 0 1 FIAF COc1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600635 OSNKQZQWFCGHPT-OFNKIYASSA-N 374.392 4.204 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)sc2C=O)N1 587738640 PTEGXZXLIMJSKP-MLXNANBUSA-N 372.234 4.225 0 1 FIAF CC1CCN(C(=O)C[C@@]2(C)NCCc3cccc(-c4ccccc4)c32)CC1 962663829 GXGVBASCOJENSU-XMMPIXPASA-N 362.517 4.363 0 1 FIAF CC(=O)[C@@H]1C(=O)CC(C)(C)C[C@]12NCCc1cc(-c3ccccc3)ccc12 962665500 ILGYDVPKTFPRRQ-ISKFKSNPSA-N 361.485 4.289 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@](c3ccc(F)cc3F)(C(C)(C)C)c3cccc1c32 963039703 ZRCSRVNANGCNAO-DMZKTXOQSA-N 370.443 4.308 0 1 FIAF CCOC(=O)[C@H](C)CCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 1857539908 AUGQBVXMRUMYDR-FOIQADDNSA-N 365.901 4.247 0 1 FIAF C/C=C(/C)C(=O)OC[C@@H]1c2c(c(OC)c3occ(C)c3c2C)C=C[C@@H]1O 1911571430 RCNZPIAQHFOICG-ATWZEXCYSA-N 356.418 4.039 0 1 FIAF C[C@]12CC=C3C4=C(CC[C@@H]3[C@H]1CCC21OCCO1)CC1(CC4)OCCO1 2356862899 VCJRIJKZDDFALD-ZCNNSNEGSA-N 358.478 4.110 0 1 FIAF Brc1cccc([C@@H]2C[C@H](c3cccs3)N3NN=NC3=N2)c1 2914124 PJXUIJLKCZVQMF-NWDGAFQWSA-N 362.256 4.240 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2[C@](C)(CO)C[C@H](O)C[C@]12C 2356461878 WZZRZMFFZNXNGP-AHJNKEMKSA-N 364.526 4.018 0 1 FIAF COc1cccc(-c2oc3ccc4c(c3c2CCNC(C)=O)CCCO4)c1 103234080 MPGCTNVRGBPOGE-UHFFFAOYSA-N 365.429 4.112 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4C=C(O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26478490 CXIZEAWVDWCMQV-IVUDLBNISA-N 370.537 4.432 0 1 FIAF Cc1cc(/C=C/C(=O)N[C@@H](C)c2nc3scc(C)c3c(=O)o2)c(C)s1 27517678 XYAGSYNVZNLSBJ-QRGHLMKCSA-N 374.487 4.127 0 1 FIAF CC(C)[C@@H](C)CC(=O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27879518 OWLLXGOHMSBAOZ-NIOQDSGDSA-N 368.514 4.226 0 1 FIAF COc1cc(-c2ncn(C)c2-c2ccc(N(C)C)cc2)cc(Cl)c1OC 64416733 VDTOYHGQCOHVGK-UHFFFAOYSA-N 371.868 4.491 0 1 FIAF O=C(O)c1ccc(-c2cc(O)c(SCc3ccccc3)c(=O)o2)cc1 32016343 JKXWJXGTKZBEDD-UHFFFAOYSA-N 354.383 4.003 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H](OCC)[C@H](O)CCCCCCCC(=O)O 33820374 BHDZXVBBVBHNKG-KLICOSGESA-N 358.519 4.065 0 1 FIAF O=C(Nc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12 71319133 PKCFNVXGVGNGJI-UHFFFAOYSA-N 356.385 4.030 0 1 FIAF CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc(C)c1 82147580 LFRFOTRZRCWJAX-CALCHBBNSA-N 366.509 4.026 0 1 FIAF CCOc1ccccc1CNc1cc(-c2cc(OC)ccc2OC)ncn1 82160976 VUNDLKLVRBFEFN-UHFFFAOYSA-N 365.433 4.172 0 1 FIAF C=CC(=O)Nc1ccc2ncnc(Cc3cccc(Br)c3)c2c1 40847195 SDYMUBCTDLOTEF-UHFFFAOYSA-N 368.234 4.108 0 1 FIAF O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)cc(Cl)c1 49046912 BUORIDJFPYBYLB-UHFFFAOYSA-N 363.288 4.390 0 1 FIAF COc1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1F 45189866 XTAPPDIBRQTLHA-SJKOYZFVSA-N 371.374 4.107 0 1 FIAF COC(=O)c1cc2c(-c3ccccc3Oc3ccccc3)cn(C)c(=O)c2[nH]1 146482807 LRXNVAIQOGFUQW-UHFFFAOYSA-N 374.396 4.113 0 1 FIAF CCc1c(C(=O)OC)ccc2c1CC[C@@H]1[C@@](C)(C(=O)OC)CCC[C@]21C 238780346 IQEUKXWABWRDNI-BWAGFHJFSA-N 358.478 4.219 0 1 FIAF C=C1CC[C@H]2C(=O)O[C@@H](c3ccoc3)C[C@]2(C)CC=CC=C1C(=O)OC 299814158 LXCZVMFGPWLGIO-UEXGIBASSA-N 356.418 4.286 0 1 FIAF CCN(CC)C(=O)Cn1c(-c2ccc(OC)cc2)nc2c(C)cc(C)cc21 473156079 SJPVZIDWKSNHDB-UHFFFAOYSA-N 365.477 4.197 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cccnc23)N1 587804488 RCTZDWMGYYRTDX-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF COc1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(OC)c1O 587786696 VLXKWCLQJOQBFF-UHFFFAOYSA-N 356.275 4.111 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2N)N1 587694948 IOLCMEALNPPXIN-BCTVWOGZSA-N 369.665 4.447 0 1 FIAF CO[C@@H](C)c1ccc([C@@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507100 AGDOQAVUFGMWNX-WNSKOXEYSA-N 365.473 4.092 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2nccnc2c1 587586597 KUSVAGCZKZBBLW-UGKGYDQZSA-N 370.364 4.038 0 1 FIAF C[C@@H](Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(=O)O 587520528 DWENZNXXOOUXTD-ZUOKHONESA-N 366.413 4.124 0 1 FIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2c(Br)ccnc2[nH]1 587150671 OHORLEWGGZUARW-ZETCQYMHSA-N 354.154 4.139 0 1 FIAF O=C(NCc1nc2cccc(C(F)(F)F)c2[nH]1)c1cc2c(s1)CCC2 587034711 JYDHAHFSMKGRJW-UHFFFAOYSA-N 365.380 4.062 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ncc(C(F)(F)F)cc31)O2 587383834 WNZQNLNYEODZAR-SFHVURJKSA-N 362.351 4.188 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCSc4ccc(OC)cc41)[C@@H](C2)C3=O 587453851 SCBPOMPVWAKPQV-KKSFZXQISA-N 368.454 4.233 0 1 FIAF Cc1nc(F)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587737262 DMYUMEJLEUJXNY-VPTHRUTESA-N 353.210 4.054 0 1 FIAF Cc1ccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc2c1 587772178 DTZWBXGARMGNSG-VOJFVSQTSA-N 374.257 4.168 0 1 FIAF CSc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984014 MFXOZKKAFSRCAD-ZDUSSCGKSA-N 362.296 4.290 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2n[nH]c3ccccc23)N1 587790473 CYLDKONVVVDOKV-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF COCCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525988 XEUNJUDZPVQSGY-NRFANRHFSA-N 352.430 4.297 0 1 FIAF O=C(CCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1 587161812 FLHOXGLDQOWDIP-UHFFFAOYSA-N 352.287 4.416 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cc(F)c(N)c(F)c2F)N1 962940606 DDVKOHKGNVDSKW-SBKAZYGRSA-N 359.395 4.355 0 1 FIAF Cc1ccc2[nH]c3c(c2c1)CCC[C@]31NC[C@H]2CC(=O)N(C)c3cccc1c32 963031660 RESJYJDLPCNRSM-OYLFLEFRSA-N 371.484 4.110 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(C)ccc1OC(F)F 963054475 JNONLIJJWUPRGF-HXUWFJFHSA-N 370.399 4.388 0 1 FIAF COc1ccc2c(c1)[C@H](CCCN1CCN(c3ccccn3)CC1)CCC2 13740689 NXLCQCUSLGWBEP-IBGZPJMESA-N 365.521 4.113 0 1 FIAF CCOC(=O)c1c(CSc2ccc(F)cc2)n(C)c2ccc(O)cc12 169345882 AIJHDVQPHWLALE-UHFFFAOYSA-N 359.422 4.492 0 1 FIAF COCCNC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 2483855 NVQGBSAFDNSWMC-UHFFFAOYSA-N 352.434 4.169 0 1 FIAF CCN(CC)C[C@H]1C[C@@H]2COC(c3ccccc3)(c3ccccc3)[C@@H]2O1 26718648 BOBOAIXDXFUOEB-STZQEDGTSA-N 351.490 4.076 0 1 FIAF COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3 28646618 TWHFQQROGAZOCN-TUACAJSNSA-N 358.485 4.090 0 1 FIAF COc1ccc(COC[C@H](CCCCCCC(=O)O)Cn2ccnc2)cc1 29484447 ZAZLBFUOKKZIBA-LJQANCHMSA-N 374.481 4.150 0 1 FIAF CCN(C)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(F)cc1 82141362 PJTKIGCWYQVWNH-UHFFFAOYSA-N 370.472 4.367 0 1 FIAF Cc1csc(N(C)C(=O)[C@@H](C)Sc2ccc(-c3ccccc3)nn2)n1 84758918 CLUKODGGHJARBJ-CYBMUJFWSA-N 370.503 4.052 0 1 FIAF Fc1ccc(C(OCCOC2C[C@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1 100872690 KFPZVRTVZVHBSM-WOJBJXKFSA-N 373.443 4.370 0 1 FIAF CC[C@@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O 135811192 QOGGHJNOQATQIO-GFCCVEGCSA-N 351.859 4.446 0 1 FIAF C[C@@H](CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F 165292678 ZVJUBAZQNFKMDT-JTQLQIEISA-N 368.433 4.317 0 1 FIAF C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 299819553 GQECVTUOELTXTC-ZFKDJFBOSA-N 359.510 4.312 0 1 FIAF c1cc2c(cc1-c1nc(-c3nc4cc5cn[nH]c5cc4[nH]3)cs1)CCO2 587017245 IKSWOIKOBXNSSV-UHFFFAOYSA-N 359.414 4.165 0 1 FIAF Cc1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018458 CIQBTCPELBRJRP-UHFFFAOYSA-N 363.442 4.357 0 1 FIAF Cc1nccc2[nH]c(-c3sc4cc(Br)ccc4c3N)nc12 587032906 VQBAEFGSGVPDHP-UHFFFAOYSA-N 359.252 4.493 0 1 FIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)ncc(F)c3[nH]2)n1 587081255 YMRVMBZWUAUNKO-ZCFIWIBFSA-N 372.629 4.347 0 1 FIAF COC(=O)c1cc(Cl)c2nc(-c3ccc(OC(F)F)cc3)[nH]c2c1 587130131 FJYPYXMCODPGFH-UHFFFAOYSA-N 352.724 4.271 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(COCc3cccc(Cl)c31)CC2=O 587458917 BUHBCJHQTPPIFV-HXUWFJFHSA-N 358.821 4.389 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)ncnc1Cl)CC2=O 587463329 WXQTTZSBPRGHFK-QGZVFWFLSA-N 367.232 4.322 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(/C=C/C(=O)O)cc1)CC2=O 587491451 WCNGYXFUKWETHZ-NJGYHNCTSA-N 352.386 4.149 0 1 FIAF COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587524949 NQVFLSYKDVPTLP-HXUWFJFHSA-N 366.413 4.067 0 1 FIAF Cc1nc2ccccn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585169 BNCKOZKQBDLDKF-PGRDOPGGSA-N 372.380 4.051 0 1 FIAF CCc1cccc(C)c1NC(=S)n1ncc2ccc(Cl)cc2c1=O 587655222 XEVBCEUTAPXWFQ-UHFFFAOYSA-N 357.866 4.166 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(cnn3C)c2)N1 587757235 GKQJQDQHLDLTEL-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF CCOC(=O)CCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795772 JGOREKLXNGOQCQ-APPDUMDISA-N 372.278 4.071 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3[nH]2)N1 587801466 GRIKJWSWUHUELT-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587810737 UIMDFUYEAVRSQP-DYZYQPBXSA-N 350.231 4.220 0 1 FIAF CC(=O)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822882 NCFREZFNUXRPPA-ANTHHZPCSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2C=O)N1 587844413 NSTHZFLCGQLUPT-VXJOIVPMSA-N 354.244 4.086 0 1 FIAF Cc1nn(C)cc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831718 HMKJDYMZLBUZMN-QFIPXVFZSA-N 372.472 4.024 0 1 FIAF Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc3[nH]cc(C)c23)cc1 96018595 AKUKMWBKCSCBLP-IBGZPJMESA-N 354.475 4.311 0 3 FIAF COc1ccc(CCCCNCCOc2cc(F)cc3c2OCC=C3)cc1 1541480 UKJKGQUJKWNSRT-UHFFFAOYSA-N 371.452 4.231 0 1 FIAF O=C(O)c1ccc(C(=O)O)c2nc(/C=C/c3ccc(Cl)cc3)ccc12 28957905 XKNKRMMOHNXGNO-ZZXKWVIFSA-N 353.761 4.455 0 1 FIAF CCCCCCc1c(C(=O)OC)cn(Cc2ccccc2)c1CC(=O)O 28474498 ZQRVUHVKMMTXOC-UHFFFAOYSA-N 357.450 4.073 0 1 FIAF COCCN(c1sc2ccccc2c1C)S(=O)(=O)c1ccccc1 115233391 GMHBTVYSYKSVHN-UHFFFAOYSA-N 361.488 4.051 0 1 FIAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1ccccc1)CCCC3 28968810 UNCWLZOGXZCOJG-UHFFFAOYSA-N 361.445 4.243 0 1 FIAF NC(=O)C1CCN(c2nc(-c3ccccc3-c3ccccc3)cs2)CC1 36380808 QFMIVTDYAGAOMR-UHFFFAOYSA-N 363.486 4.179 0 3 FIAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccnc3)c2F)cn1 212172077 GIUHENGRAPYLNN-UHFFFAOYSA-N 350.397 4.106 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@]2(C)C(C(C)=O)=CC[C@H]32)C1 13298275 MPXJSJVWSXWSNI-JIXQTSOESA-N 372.505 4.265 0 1 FIAF biogenic CC(C)CC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72142366 MOQSJAWCRNPMOY-NRFANRHFSA-N 371.912 4.015 0 1 FIAF CC(C)NC(=N)c1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1 40898445 ZJJFUTMIWDPYDV-UHFFFAOYSA-N 356.426 4.011 0 1 FIAF C[C@@H]1NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21 143427271 GQWJTCJISZNVKV-NSHDSACASA-N 361.850 4.126 0 1 FIAF O=c1sc2c(Cl)nc(-c3ccc(F)cc3)nc2n1-c1ccccc1 98082027 AKUBPUPOCONFNR-UHFFFAOYSA-N 357.797 4.302 0 1 FIAF O=C(OC[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1)c1ccccc1 253739986 SPPHJQRBMCMDGZ-RIBZHWDZSA-N 365.498 4.471 0 1 FIAF Fc1ccc(CN[C@@H]2CCCn3nc(COc4ccccc4)cc32)cc1 299839383 RBJSYIKURFYWRL-HXUWFJFHSA-N 351.425 4.226 0 1 FIAF CN(CCCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 299853664 OBXWKSPCTDAXSW-UHFFFAOYSA-N 364.489 4.365 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)cc(Br)c1F)O2 587381386 IKCLXGAVUHAUCT-OAHLLOKOSA-N 364.214 4.494 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSCC(C)(C)C2)N1 587857503 KTIFRDSPWDZNPR-MGPLVRAMSA-N 358.320 4.481 0 1 FIAF COc1ccc(C=O)c2cc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)oc12 586903363 JIJDGNBKQKEKDG-UHFFFAOYSA-N 372.283 4.119 0 1 FIAF CO[C@@H](C)c1ccc([C@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507099 AGDOQAVUFGMWNX-NPMXOYFQSA-N 365.473 4.092 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)c(F)c1)O2 587382186 PKAXIVVKXOBYRJ-QGZVFWFLSA-N 364.214 4.359 0 1 FIAF CCn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587344739 YFPCUVCOBXFZDP-FPOVZHCZSA-N 366.392 4.022 0 1 FIAF CC[C@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608826 MJTAXQODDNCJPW-DENIHFKCSA-N 362.381 4.365 0 1 FIAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(C)cnc4[nH]3)ccc12 586918239 KNHUCXPIXFLPTL-UHFFFAOYSA-N 363.417 4.294 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C=O)cc3)cc1O)O2 587405516 XKACFPQQEYGPML-JOCHJYFZSA-N 373.408 4.469 0 1 FIAF CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12 587637103 CFRPUGWTIOQETB-UHFFFAOYSA-N 355.365 4.168 0 1 FIAF Cc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587334015 DKEFJYYGRIPRKF-WIYYLYMNSA-N 367.376 4.410 0 1 FIAF COC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349608 CLGOIRDKJIONPP-BSLVTKGXSA-N 356.393 4.218 0 1 FIAF CC(C)[C@@H]1C[C@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587829365 BZUJYVHLKPQBOI-NVGVWMPQSA-N 356.279 4.153 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(C)(C)C)(C(=O)O)N1 587827961 MOEWDQLINXTLTP-DYZYQPBXSA-N 372.278 4.229 0 1 FIAF CCn1ncc(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587701682 XONYQZUCMVHZKK-XLKFXECMSA-N 372.669 4.082 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](Cc1c(Cl)ncnc1Cl)CC2=O 587463087 VYPGKZYCUGRFAI-VIFPVBQESA-N 367.232 4.018 0 1 FIAF CCCCN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587771120 VOXNKPMRRKQXBV-ZDUSSCGKSA-N 369.322 4.214 0 1 FIAF COc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)c(OC)c1C 587786021 ARDRCVSCVAHFDB-UHFFFAOYSA-N 365.202 4.457 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c[nH]c2c3c(ccc12)CCC3 963635628 NHHVNABBSNSOAX-ZLOXQWCVSA-N 362.473 4.297 0 1 FIAF CCOC(=O)[C@@H]1CC[C@]2(C=C1C)N[C@@H](CC)Cc1c2[nH]c2ccccc12 962957857 ZKXHGWNTHMWFMW-WJONJSRFSA-N 352.478 4.207 0 1 FIAF Oc1cccc([C@@]23CCC[C@@H]([C@@H]2O)N(CC/C=C/c2ccccc2)CC3)c1 1772619517 QFRZFBSRJFTYJQ-WMKCFNQGSA-N 363.501 4.353 0 1 FIAF O=c1c(-c2ccc(O)cc2)c(Oc2ccc(O)cc2)oc2cc(O)ccc12 13489431 GKHHBTLBBYIXLF-UHFFFAOYSA-N 362.337 4.369 0 1 FIAF C[C@@H]1CC[C@@H](C)N1CCCNC(=O)C(c1ccccc1)c1ccccc1 13755515 QTFOYIFTXHRBDC-RTBURBONSA-N 350.506 4.198 0 1 FIAF CCN1c2ncc(/C=C\c3ccccc3)cc2C(=O)N(C)c2cccnc21 13780550 AJCZKSKCXVCTMF-QXMHVHEDSA-N 356.429 4.395 0 1 FIAF FC(F)(F)c1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)c(Cl)c1 150051311 QEHYKYLYANFHEE-AWEZNQCLSA-N 357.763 4.158 0 1 FIAF CCCCC/C=C\C[C@H](O)[C@H](/C=C/[C@@H]1C/C=C/CCCC(=O)O1)OC 169292798 NGVOPKDYDKTASH-PPRNHBGYSA-N 350.499 4.487 0 1 FIAF Cc1ccc(C(=O)NC(C)(C)c2ncco2)nc1-c1cccc(Cl)c1 207728763 BQYZFHUJUGUJIE-UHFFFAOYSA-N 355.825 4.364 0 1 FIAF O=C(CSc1nc[nH]n1)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 1857752781 UYEFUFMISOSPRQ-UHFFFAOYSA-N 368.506 4.075 0 1 FIAF CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 9433683 PGJZKIXYTBMZNT-OALUTQOASA-N 368.502 4.108 0 1 FIAF CC(=O)Nc1ccc(CNC(=S)NCc2ccc(C(C)(C)C)cc2)cc1 13589544 XAVLPQPRVMDXAV-UHFFFAOYSA-N 369.534 4.107 0 1 FIAF Cc1nc(C)c(CN2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)nc1C 28713652 MJFWRXFEQHLUJZ-UHFFFAOYSA-N 366.553 4.017 0 1 FIAF COC(=O)c1cc2c(c(O)c1O)[C@H](C)CC[C@@H]2[C@@H](C)CCC[C@@H](C)CO 33801435 LEWXVCOQFFOSMG-LXTVHRRPSA-N 364.482 4.300 0 1 FIAF biogenic COc1ccc(CCNc2nc(-c3ccccn3)nc(C)c2Cl)cc1 40405592 CUSVHTUVBISFTF-UHFFFAOYSA-N 354.841 4.164 0 1 FIAF O=C(OCc1ccccc1)c1coc(-c2cccc(Br)c2)n1 49049317 LOBFUBGLPFVDKJ-UHFFFAOYSA-N 358.191 4.461 0 1 FIAF O=c1c2cc(Br)ccc2nc2n1CC/C2=C/c1ccccc1 64621979 PWIKVRGNVYISHD-RAXLEYEMSA-N 353.219 4.103 0 1 FIAF CCCCn1cc(C2=NS(=O)(=O)c3ccccc3N2)c2ccccc21 73295808 FTXJVIVFOWBWFA-UHFFFAOYSA-N 353.447 4.002 0 1 FIAF COc1ccc(-c2cc3c(cn2)[nH]/c(=N\Cc2cccc(C)c2)n3C)c(C)c1 82083481 VEIJSYPFMNBGJA-UHFFFAOYSA-N 372.472 4.295 0 1 FIAF CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1 84671867 DKKPQUFSNQFNET-MRXNPFEDSA-N 360.251 4.086 0 1 FIAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccn4)cc3)c12 95581956 NDZNEEBAQROMPI-UHFFFAOYSA-N 357.417 4.433 0 1 FIAF COc1ccc([C@H]2CC(=O)c3c(O)cc(O)c(CC(O)=C(C)C)c3O2)cc1 102944580 UDGMFQSBPUDAJA-LJQANCHMSA-N 370.401 4.207 0 1 FIAF biogenic CCOC(=O)c1c[nH]c2ncnc(-c3cccc(OCc4ccccc4)c3)c12 218979991 VGRAPZNCKREIAJ-UHFFFAOYSA-N 373.412 4.381 0 1 FIAF FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4cn[nH]n4)n3)cc2)cc1 299863696 LKBODXPQCMCCFH-UHFFFAOYSA-N 373.294 4.333 0 1 FIAF Oc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586978029 XIVDQZIWFLFCED-UHFFFAOYSA-N 353.603 4.263 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](C(=O)C(F)F)CC3 586986820 OYHPDQULPDLBQV-GFCCVEGCSA-N 365.335 4.016 0 1 FIAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccnc(Br)c3[nH]2)s1 587014259 KMTDFFUGBDEOHK-QMMMGPOBSA-N 367.272 4.250 0 1 FIAF CCOC(=O)c1ccc2nc(-c3sc([C@H](C)OCC)nc3C)[nH]c2c1 587014967 UVMSZPDBFKLCSK-NSHDSACASA-N 359.451 4.269 0 1 FIAF Nc1ncnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12 587015043 CMEHEBBLEJYKLI-UHFFFAOYSA-N 363.233 4.032 0 1 FIAF CCOC(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587017451 MCJRHTHMXJKTCE-UHFFFAOYSA-N 353.403 4.047 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2cc(C)c(F)cc2[nH]1)C(F)(F)F 587092385 LNAHDNXQAAPWRW-KRWDZBQOSA-N 367.346 4.174 0 1 FIAF CCOc1c(Cl)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587419489 DONHUVDVNVUQAK-YJYMSZOUSA-N 374.820 4.245 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1[C@@H](C(=O)OC(C)(C)C)C1(C)C)CC2=O 587484900 OPCWJJGBHWOGRU-BZSNNMDCSA-N 374.477 4.292 0 1 FIAF Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 587769546 GQBOOTSAMMCOIE-MLCYQJTMSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3ccccc23)N1 587794272 LLBCJQKMDZAPBS-HUTHGQBESA-N 360.230 4.088 0 1 FIAF CC(C)C(=O)CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810241 CFHNDIGHXRNPAT-DIFFPNOSSA-N 356.279 4.343 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)C[C@]3(C)O[C@H]32)N1 587837605 JDKODYWVLSHIBY-OKGDGOIHSA-N 368.290 4.295 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)C[C@]3(C)O[C@H]32)N1 587837639 JOJVNVLLJDZLQR-OKGDGOIHSA-N 368.290 4.295 0 1 FIAF CCc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587851115 AHMNYZGPQBZBRB-CLAHSXSESA-N 355.276 4.231 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cncc(Br)c2[nH]1 587929513 KIXUGBZTYILBMK-PIGZYNQJSA-N 358.239 4.174 0 1 FIAF COc1cc(-c2nc(-c3ccco3)c(-c3ccco3)[nH]2)cc(OC)c1O 1857558517 AMFKOLZTODJBMV-UHFFFAOYSA-N 352.346 4.320 0 1 FIAF C[C@@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(=N)[nH]c4)cc3c21 1857601329 CQUWECKLBZJIED-AWEZNQCLSA-N 366.428 4.063 0 1 FIAF COc1ccc(OC)c(-c2nc3ccnc(NCc4ccccc4)c3[nH]2)c1 1857644453 NJASWXSMHRYWQI-UHFFFAOYSA-N 360.417 4.254 0 1 FIAF C[C@]1(CO)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5CO[C@H](O)[C@H]54)C3=CC[C@@H]12 2356805312 ZSBJRMUDYWFFJZ-SCZRFXQLSA-N 372.549 4.449 0 1 FIAF COc1ccc2sc3c(c2c1)N(Cc1cccc(Cl)c1)CCNC3=O 3647221 OGEKFAVMHRFSCC-UHFFFAOYSA-N 372.877 4.313 0 1 FIAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN[C@@H]2N3C)cc1 13797547 ROYFCSCGFOUJGP-IRLDBZIGSA-N 365.477 4.448 0 1 FIAF O=C(O)[C@@H]1CCCN(CCCCN(c2ccccc2)c2ccccc2)C1 13801347 HQGKVUCYVNFURZ-LJQANCHMSA-N 352.478 4.402 0 1 FIAF CN(C)CCCCCNC(=O)c1cccc2ccc(-c3ccccc3)nc12 27313379 QVNPRGZMKUMHTJ-UHFFFAOYSA-N 361.489 4.364 0 1 FIAF COc1ccccc1C(=O)[C@@](C)(NC(=O)c1cccc(OC)c1C)C(C)C 27524743 XUHGJCVWJKHCEX-QFIPXVFZSA-N 369.461 4.040 0 1 FIAF O=C1c2ccccc2C(=O)N1CCCCCCCCCCn1ccnc1 27899625 DOVKNTJKHQSOTE-UHFFFAOYSA-N 353.466 4.300 0 1 FIAF in-vivo CCc1cc2c(s1)Nc1ccc(Cl)cc1N=C2N1CCN(C)CC1 27989823 PIHWZDKOOAOZBG-UHFFFAOYSA-N 360.914 4.347 0 1 FIAF CCCCc1ncc(CO)n1Cc1ccc(-c2cccc(C(=O)O)c2)cc1 28763458 FUESGOLYMQEEET-UHFFFAOYSA-N 364.445 4.132 0 1 FIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2cc(C(F)(F)F)ccc21 28964586 QLDCRXZBQVZDEZ-HNNXBMFYSA-N 360.339 4.391 0 1 FIAF COc1ccc2cc(CN3CCc4cc(OC)c(OC)cc4C3)ccc2c1 29063368 KREIZVZORLBDNV-UHFFFAOYSA-N 363.457 4.424 0 1 FIAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(c3ccccn3)C[C@@H]2C1 29127839 QFURDKZFPGIQLC-GMAHTHKFSA-N 359.517 4.260 0 1 FIAF COC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3c2)c1 29222642 HMBSGRHLBRUYNV-UHFFFAOYSA-N 363.413 4.311 0 1 FIAF Oc1cc2c(cc1Cl)CCN[C@H]2Cc1ccccc1Br 45260640 JHOVTRNHFCBNAQ-HNNXBMFYSA-N 352.659 4.238 0 1 FIAF COc1ccc(Nc2nccc3c2cc(-c2cccnc2)n3C)cc1OC 74386819 DQKKVNWXSVIKEZ-UHFFFAOYSA-N 360.417 4.396 0 1 FIAF COc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 84690804 HVRGJRGBUWZYHR-UHFFFAOYSA-N 350.462 4.149 0 1 FIAF C[C@@H]1OCc2sc(NC(=O)CC(C)(C)C)c(C(=O)N3CCCCC3)c21 95563991 RGIAIURWTAWFCO-LBPRGKRZSA-N 364.511 4.340 0 1 FIAF CCN(CC)CCCCNc1nc(C)c(OCc2ccccc2)c(C)n1 95577520 RNJWKSILZRNYLW-UHFFFAOYSA-N 356.514 4.206 0 1 FIAF COc1ccc(N(C(=O)/C=C/c2ccccc2)C2=C[C@H]3CC[C@H](C2)N3C)cc1 100540300 XMEGHXYPMWYZPW-INCIDGPKSA-N 374.484 4.492 0 1 FIAF CN1[C@@H]2CC[C@@H]1[C@@H](COc1ccc3c(c1)OCO3)[C@@H](c1ccc(F)cc1)C2 100801323 CUWDCKZGAWYXEX-RSPOEFSDSA-N 369.436 4.200 0 1 FIAF FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCOCC4)cn23)c1 144954077 HEAKBVRPNWMRHN-UHFFFAOYSA-N 362.355 4.006 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(C)C)n3)C2)cc1 169709268 OYXIOEIPXKSTHR-OXJNMPFZSA-N 367.493 4.060 0 1 FIAF CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2O)cc1 209735515 DXEUSIKELUAYLG-UHFFFAOYSA-N 352.415 4.331 0 1 FIAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2cncnc2)c1 218300938 LATMOTMVCJOZNX-HXUWFJFHSA-N 358.401 4.003 0 1 FIAF O=C(CCCN1C[C@H]2C[C@H]1CN2c1ccc(Cl)cc1)c1ccc(F)cc1 253665861 ILSADQLMJBGMFK-VQTJNVASSA-N 372.871 4.405 0 1 FIAF COC(=O)[C@@H](C)[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 299820290 JABZAHXSNKLWRQ-URGMHMMJSA-N 373.537 4.051 0 1 FIAF CCOC(=O)c1cc(NCc2ccncn2)c(NC2CCCCC2)cc1F 473158378 WFUWUOMVPYTCEH-UHFFFAOYSA-N 372.444 4.149 0 1 FIAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)s1 587014998 VOAVSTDESYXGEX-CYBMUJFWSA-N 374.510 4.033 0 1 FIAF Cc1nc(-c2c[nH]cc2-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1 587020519 CFPQJZZVHZMRAM-UHFFFAOYSA-N 360.345 4.311 0 1 FIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(Br)cc2[nH]1 587174339 HLLMNDXLSYBTQH-CYBMUJFWSA-N 373.229 4.188 0 1 FIAF CC(C)(C)[C@H](N)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587258000 SRXHXWBVJGHDBF-SNVBAGLBSA-N 350.182 4.390 0 1 FIAF CCCCCC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400496 QCFWQDIECPWPQU-IERDGZPVSA-N 361.482 4.451 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)C(=C(C)C)NCC4)[C@@H](C2)C3=O 587440830 QVILCKUZHLCSEF-FDDCHVKYSA-N 361.441 4.081 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1OC)[C@@H](C2)C3=O 587445158 ZNYAJQMVLALWFY-CYFREDJKSA-N 372.420 4.395 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)COC(C)(C)O4)[C@@H](C2)C3=O 587456767 XZLCJJVVWIXTHT-AOMKIAJQSA-N 366.413 4.003 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](c3nccn3C)C1)CC2=O 587471285 PPKNNAFEVZPHMK-LHSJRXKWSA-N 354.450 4.140 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c([nH]1)CCCC2 587586403 CBJSLFXOTSFAGC-DENIHFKCSA-N 361.397 4.302 0 1 FIAF CC[C@@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619036 QHVBEFZBYLTNAM-HNAYVOBHSA-N 353.399 4.116 0 1 FIAF CCOc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N)cc1 587623684 ZHWVOXCXYOCWAP-UHFFFAOYSA-N 371.238 4.455 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Cl)cc2F)N1 587731364 ZCQIHQDVDPXOKL-MLXNANBUSA-N 373.628 4.399 0 1 FIAF CC(C)Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587756295 CYYWMSZVPKEONL-DIFFPNOSSA-N 366.278 4.064 0 1 FIAF COc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)c(OC)c1C 587788335 YAXBJFRDIFUAKU-UHFFFAOYSA-N 365.202 4.457 0 1 FIAF CCC[C@]1(CC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800752 YWPLKWUNXGQQOP-APPDUMDISA-N 372.278 4.071 0 1 FIAF CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 587807521 DKOIYBHGEFEKME-LIXBPZJASA-N 368.290 4.297 0 1 FIAF COc1ccc(C[C@@H](C)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1OC 587925819 HWEKLOKXHXFKKL-CYBMUJFWSA-N 368.433 4.088 0 1 FIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(F)c(F)c(F)c4[nH]1)(C3)C2 587949740 AFWDRDDMSSILSD-PPFQZGAJSA-N 364.367 4.134 0 1 FIAF CC1=C(c2ccc3nc([C@@H]4CC[C@@H](C(C)(C)C)C4)[nH]c3c2)NNC(=O)C1 587967701 QYQILLRESGLIPQ-HUUCEWRRSA-N 352.482 4.248 0 1 FIAF CN1C(=O)C[C@H]2CN[C@@](c3cc(F)cc(Cl)c3)(C3CC3)c3cccc1c32 963019931 FTDAWBCQAPEDBT-LAJNKCICSA-N 370.855 4.186 0 1 FIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](C2CC3(CC3)C2)N1 963184419 PGBXALBBURNZQO-KGLIPLIRSA-N 359.775 4.189 0 1 FIAF CCn1ncc2[nH]ccc(=Nc3cc(-c4cc(C)ccc4F)ncc3C)c21 1772630090 DHSFEKNIGRATPA-UHFFFAOYSA-N 361.424 4.435 0 1 FIAF COc1ccc(-c2ccc3c(C)nc4c(nnn4-c4ccccc4)c3n2)cc1 1857543125 LNJFOOOJXABFCY-UHFFFAOYSA-N 367.412 4.348 0 1 FIAF CC[C@@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN([C@@H]13)[C@@H]2CC(C)=O 2356447414 RJITZLAAWJSIDF-AGEYNJRESA-N 366.505 4.284 0 1 FIAF CC(C)C(=O)N1CC[C@]1(C)C(=O)Nc1cccc(Oc2ccccc2)c1 61903585 WIRTXOSBVDASDH-OAQYLSRUSA-N 352.434 4.064 0 3 FIAF Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NC(C)C)cc32)c1 3638728 XBZYQOHMBKCGHJ-UHFFFAOYSA-N 368.502 4.081 0 1 FIAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1N 4080504 NIHWNFLXMMPYTE-VQTJNVASSA-N 369.465 4.192 0 1 FIAF CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cc(F)ccc23)CC1 14977283 SYZRHTJCHZURER-UHFFFAOYSA-N 372.528 4.346 0 1 FIAF O[C@](Cn1ccnc1)(c1ccc(F)cc1)c1ccc(-c2ccccn2)cc1 26846566 JHFXKTQDNCMKJC-QFIPXVFZSA-N 359.404 4.020 0 1 FIAF CC(C)(C)CCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1 28825042 APGOIOSHPGLHQN-UHFFFAOYSA-N 367.493 4.157 0 1 FIAF CCN(CC)Cc1ccc([C@H](c2ccccc2Cl)n2cncn2)cc1 35246400 NLULVWKHNXDXKM-HXUWFJFHSA-N 354.885 4.411 0 1 FIAF CC1=C(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2OC1(C)C 43202686 BUPRRNULXUIUST-UHFFFAOYSA-N 361.438 4.190 0 1 FIAF Cn1cc([C@@H](CN)Oc2cncc(/C=C/c3ccncc3)c2)c2ccccc21 45286757 LRGLASTUFMCSKF-BMOUEYTDSA-N 370.456 4.218 0 1 FIAF c1ccc(C(CNCc2nnnn2C2CCCCC2)c2ccccc2)cc1 73162230 UMPFRWYVFFKJMQ-UHFFFAOYSA-N 361.493 4.100 0 1 FIAF Nc1nccn2c(C3CCC3)nc(-c3ccc(C[C@H]4CCCCO4)cc3)c12 96168091 RTJLPJXDPRBODG-GOSISDBHSA-N 362.477 4.358 0 1 FIAF O=C1C[C@]2(CCCc3ccccc32)OC(=O)[C@H]1SCc1ccccc1 169684766 OAFGWMQMAKOFHH-FPOVZHCZSA-N 352.455 4.036 0 1 FIAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@H](O)C[C@H]1c1ccccc1 254103454 ROECTXSVAJVSEX-FDFHNCONSA-N 368.525 4.085 0 1 FIAF Oc1cccc(CCc2nc3cc(Cl)cc(Br)c3[nH]2)c1 586896953 MOCHWSCVNJBUGZ-UHFFFAOYSA-N 351.631 4.470 0 1 FIAF CCS(=O)(=O)c1cccc(Cc2nc3cc4ccccc4cc3[nH]2)c1 586921076 BSBHRDZOBVQMEN-UHFFFAOYSA-N 350.443 4.101 0 1 FIAF O=S(=O)(/C=C\c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccccc1 586924372 PHTJLELJLHWZHC-SREVYHEPSA-N 370.327 4.165 0 1 FIAF Cc1nc(COc2cccc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)cs1 587020341 OBPKRJGDRKOXMA-UHFFFAOYSA-N 365.414 4.272 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587036421 ASIOHFIKHMHNMP-QGZVFWFLSA-N 358.488 4.109 0 1 FIAF COC(=O)c1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2c1 587050392 JRBVQLCMEXELCZ-UHFFFAOYSA-N 371.824 4.264 0 1 FIAF Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1F 587125745 SWASLSRTDREMDI-OQPBUACISA-N 353.323 4.181 0 1 FIAF CSc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132096 JQRNEUIMBILLCG-NSHDSACASA-N 369.437 4.254 0 1 FIAF Fc1cc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1-n1cccn1 587150866 FWTUSDGAVOPBJE-VXGBXAGGSA-N 354.335 4.437 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(F)(F)F)cc1)O2 587382023 MMLIBYTUIKRQSO-SFHVURJKSA-N 365.351 4.399 0 1 FIAF COc1ccc(-c2ncccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587393987 OZEGOGPRVPBRJY-FQEVSTJZSA-N 360.413 4.354 0 1 FIAF CCCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536584 WVBWRKWBUAKDCA-OAQYLSRUSA-N 370.518 4.455 0 1 FIAF CCC(C)(C)c1ccc(OCc2nc3c(C(=O)OC)ccnc3[nH]2)cc1 587565950 XWZFJRASLLTTEA-UHFFFAOYSA-N 353.422 4.011 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2ccccc12 587587537 GZOAHTQBCLUCPD-GHTZIAJQSA-N 373.364 4.282 0 1 FIAF Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1C 587609385 BTRRPPDFPWDWKG-OXJNMPFZSA-N 367.426 4.343 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)ccc2F)N1 587725433 DLHWVAQBMVBYIK-ZIDLFYJRSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3c[nH]nc23)N1 587793021 JGAQHPBPZWCYJB-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cccc(C)c1C 587870150 ASAQNXHMJDQXSY-UHFFFAOYSA-N 368.408 4.424 0 1 FIAF CC(C)Oc1cc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2cc1Br 587961935 HGRUOWDYPVCOMY-WDEREUQCSA-N 365.271 4.270 0 1 FIAF Cn1cc(-c2ccc3c(c2)-c2[nH]c4cc(-c5cn[nH]c5)ccc4c2C3=O)cn1 653873562 ZFQYZXYOKDSKKO-UHFFFAOYSA-N 365.396 4.170 0 1 FIAF COc1ccc([C@@H]2CCC[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 1857541666 DJMJJPBYLZSEBH-JKSUJKDBSA-N 358.434 4.478 0 1 FIAF CCOC(=O)c1sc2cc(Oc3ccnc(C(=O)OC)c3)ccc2c1C 1857743966 YJQXPMVKCSGOEA-UHFFFAOYSA-N 371.414 4.360 0 1 FIAF O=C(O)C[C@H]1COc2cc(OCCCOc3cccc(Cl)c3)ccc21 1857768265 KNTFJPOCGUBOIF-ZDUSSCGKSA-N 362.809 4.139 0 1 FIAF CC[C@@]1(C)Cc2nc3nc(=S)n(-c4ccc(C)cc4)c(O)c3cc2CO1 6785044 RNTWODFNSPINOR-FQEVSTJZSA-N 367.474 4.405 0 3 FIAF COCOc1cccc(CN2CC[C@](C)(Oc3ccc(SC)cc3)C2)c1 61904280 CQOIQQFMIULGFE-NRFANRHFSA-N 373.518 4.435 0 3 FIAF CNCCCCN1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1 13743901 JQYPCXSMFIVWTI-IBGZPJMESA-N 358.913 4.035 0 1 FIAF O=C1C[C@H](O)C[C@@H](CCn2c(-c3ccc(F)cc3)ccc2C2CCC2)O1 26837520 FPDGWLPNKJTZQU-QZTJIDSGSA-N 357.425 4.018 0 1 FIAF CCOC(=O)CSc1nc(Cl)cc(Nc2cccc(C)c2C)n1 40827887 VLHVDZUDKXZHOH-UHFFFAOYSA-N 351.859 4.146 0 1 FIAF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2cc(OC)ccc2c1=O 49111475 FPZGIWVGNXSVPS-UHFFFAOYSA-N 357.793 4.034 0 1 FIAF O=C(CN1CCCC1)NN1c2ccccc2Sc2ccc(Cl)cc21 73163725 WAIVAUWOHYEOFD-UHFFFAOYSA-N 359.882 4.070 0 1 FIAF CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCCC4)c3c2C)cc1 96903991 PCRWZYAVPLYWTH-UHFFFAOYSA-N 350.466 4.345 0 1 FIAF Cc1nn(-c2cc(Oc3ccccc3)c(Cl)cc2F)c(=O)n1C(F)F 103181331 QWVBCYGTMBWKLK-UHFFFAOYSA-N 369.730 4.322 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(SC(F)(F)F)cc2)C[C@H]2CC[C@@H]1N2C 169303860 UVNCBAMPWZRVGM-RZFFKMDDSA-N 359.413 4.038 0 1 FIAF CC1=CS[C@](O)(c2ccc3c(c2)Nc2ccccc2S3)CN1C=O 169307118 WOFQMTUYDHXBLJ-SFHVURJKSA-N 356.472 4.106 0 1 FIAF Clc1ccccc1Nc1nc(Nc2cc(C3CC3)[nH]n2)c2[nH]cnc2n1 203004607 DIGGAZXEEJOZLJ-UHFFFAOYSA-N 366.816 4.094 0 1 FIAF Cc1ccccc1-c1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C 222348474 UCPHIHXQZQEBRG-UHFFFAOYSA-N 368.440 4.195 0 1 FIAF COc1ccc2c(c1)C(=O)c1c-2c(=O)c2ccccc2n1Cc1ccccc1 473152666 UYXIKIBDQDRVAZ-UHFFFAOYSA-N 367.404 4.270 0 1 FIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 586882115 KEQRXJBGSUDSPA-UHFFFAOYSA-N 362.216 4.193 0 1 FIAF Cc1nc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2cc1Br 586888756 YCRHTTUBBLWKQT-FZKQIMNGSA-N 354.251 4.400 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc3ncccc3c2[nH]1 586917973 VJZWQPMIPALUFR-OPAMFIHVSA-N 357.413 4.328 0 1 FIAF CC[C@@H](C)OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990173 VVKSNRJJVYAHBQ-GFCCVEGCSA-N 361.397 4.036 0 1 FIAF Clc1cccc(/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)c1Cl 587053611 GMKVDPIWRUTWKH-DAXSKMNVSA-N 357.204 4.016 0 1 FIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)c(F)cc4[nH]3)cc2N1 587122179 AMSZWLPQLAQOGJ-INWYIAFRSA-N 357.286 4.012 0 1 FIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(Cl)c3[nH]2)C(F)(F)C1 587132581 SSGDLKYMGWAXPR-VIFPVBQESA-N 357.788 4.186 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2c1 587152083 YRBUMSCKFKNOGR-QMMMGPOBSA-N 366.751 4.421 0 1 FIAF O=C(O)[C@]1(c2cccc(Cl)c2)CCc2nc3cccc4c3c(c2C1)CC4 587209340 NVDUAMVEAIJPPB-JOCHJYFZSA-N 363.844 4.498 0 1 FIAF CNc1cccc(-c2cccc(-c3nc4ccc(C(=O)OC)nc4[nH]3)c2)c1 587233921 WRALLRMRMRWVIU-UHFFFAOYSA-N 358.401 4.120 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCCCC[C@@H]2O)[C@@H]1c1ccc(F)cc1 587349850 GCUTZIXLLBZMBX-VWPQPMDRSA-N 370.420 4.344 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)cc1C(F)(F)F)O2 587383374 WLKIKTQZUSHNKL-QGZVFWFLSA-N 351.324 4.182 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)cs1)[C@@H](C2)C3=O 587449788 CVPMOGCTESPUGC-MEDUHNTESA-N 365.248 4.182 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(C(C)C)cc21 587480526 DJNKBOPKHXIWOJ-JOCHJYFZSA-N 365.429 4.281 0 1 FIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccccc1 587622555 CQSBDKZTWLMXPL-UHFFFAOYSA-N 369.222 4.367 0 1 FIAF CC(C)Cn1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587756293 CYRVKMYUQFRRSL-PIGZYNQJSA-N 366.278 4.064 0 1 FIAF CCCn1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587761405 BFDKDNMMIOGHQX-DYZYQPBXSA-N 366.278 4.127 0 1 FIAF CCCC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587806050 IRAUDFBLCDJYMY-PIGZYNQJSA-N 372.278 4.071 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCCC2OCCO2)N1 587832912 LJMFPVCLFUWKSR-BXUZGUMPSA-N 372.278 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccsc32)N1 587859915 YYCJQMFOGXNHLS-ABKXIKBNSA-N 352.272 4.374 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C(=O)OCC)c1ccc(F)c(F)c1 963238666 VUENUOYWTFFYBQ-QRQCRPRQSA-N 373.443 4.428 0 1 FIAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(Cc1ccc(Cl)cc1)C2 2356294872 RTSNLYQCPGIYJA-GOSISDBHSA-N 356.853 4.380 0 1 FIAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@H]2[C@H]1[C@@H]1C[C@@H](C)[C@H]3CC[C@@](C)(O3)[C@@H]2O1 2356395518 QZJZTABPQUIWIH-FMYLQNSPSA-N 364.526 4.352 0 1 FIAF CCCCC[C@@H]1C[C@]2(C[C@@H]1CO)C[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)CCC[C@@]1(O)C2 2356610316 XVHRUBGFWRGWRV-VOMGRRNYSA-N 364.570 4.284 0 1 FIAF CCO[C@@]1(C)CC[C@@]2(C(C)C)C=C[C@@](C)(O)CCC=C(CO)CC[C@H]1O2 2356792428 JSGGKVVSVXAZPO-CLAROIROSA-N 366.542 4.155 0 1 FIAF Cc1ccc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)cc1 14948338 DPSNDOHOHUPLJA-UHFFFAOYSA-N 359.260 4.467 0 1 FIAF O=C(Cc1ccccc1)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 21639088 UBFRTSQJVIUCKF-NRFANRHFSA-N 369.424 4.185 0 1 FIAF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)[C@H]5COC[C@]43C5)[C@@H]1CC[C@@H]2OC1CC1 25963001 VAEMUJTUEPUFST-CXKXBRRSSA-N 356.506 4.302 0 1 FIAF CCOC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCC)c1CC 34800771 RXHDZNNTRRFABJ-UHFFFAOYSA-N 355.434 4.227 0 1 FIAF OCCCCNc1cncc(Oc2ccc(NCc3ccccc3)cc2)n1 82068621 NOJHZPVQRFMTHO-UHFFFAOYSA-N 364.449 4.065 0 1 FIAF COc1cc(C2=NO[C@H](COc3cc(C)ccc3C(C)C)C2)ccc1O 82155645 OXEZNVPLXAVNLY-INIZCTEOSA-N 355.434 4.405 0 1 FIAF Nc1nccn2c(-c3cc[nH]n3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168175 CDYYLPATMMDMHH-UHFFFAOYSA-N 368.400 4.161 0 1 FIAF Cc1nn(C(F)F)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl 103168868 DZJNGGXRJQANBS-UHFFFAOYSA-N 355.816 4.468 0 1 FIAF O=C1[C@@H]([C@H](O)c2cccc(C(F)(F)F)c2)CCCN1Cc1ccccc1 103282503 XFZQSLDOQKXJIM-QZTJIDSGSA-N 363.379 4.178 0 1 FIAF CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 153257711 BEDVMNFREUAOFL-MTMZYOSNSA-N 374.521 4.059 0 1 FIAF O=C(NCc1ccccc1)Nc1ncccc1OCc1cccc(F)c1 206947424 LHFUUHBDVRKDFN-UHFFFAOYSA-N 351.381 4.121 0 1 FIAF COC(=O)c1cccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587053030 ZCEUVRKVUCEOCC-UHFFFAOYSA-N 351.793 4.461 0 1 FIAF O=C(O)c1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1F 587134158 JRLBSJQPQJDWBH-UPHRSURJSA-N 372.224 4.266 0 1 FIAF Fc1ccc(S)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587140658 HSUKBZCLSUNKTR-UHFFFAOYSA-N 358.623 4.469 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 587168169 UGPUKIIQGQZYBT-CQSZACIVSA-N 360.339 4.349 0 1 FIAF Fc1ncc(Br)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587178216 VNFZBLCQRQZAHR-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3cc(Br)cc(C)c3[nH]2)c1 587242796 RWLXDNHYLOJTSR-UHFFFAOYSA-N 358.239 4.183 0 1 FIAF COc1ccc(C(F)(F)F)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587381714 KCEABJFCHMYDJO-INIZCTEOSA-N 351.324 4.311 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C1(O)CCCCC1)O2 587403049 DKSKHTVGBBKBQO-JOCHJYFZSA-N 351.446 4.133 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1ccc(F)cc41)[C@@H](C2)C3=O 587429026 SGWNFFMKVKCFQM-KSFYIVLOSA-N 363.388 4.295 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccco4)n4ccccc14)[C@@H](C2)C3=O 587437207 XRSPOYUDXFJJFS-LHSJRXKWSA-N 372.380 4.092 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C(=O)OCC)c1ccccc1)CC2=O 587479350 ICEIVXJSOYVJJT-PMACEKPBSA-N 368.429 4.025 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1ccccn1)CC2=O 587492965 YZGWDFOIRHQDMI-QFIPXVFZSA-N 360.413 4.044 0 1 FIAF O=C(O)CCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521560 IICVAIKOUPNHAM-HXUWFJFHSA-N 366.413 4.125 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(F)c1F 587559371 WOFUUMLGVAFFQU-MGPUTAFESA-N 370.307 4.079 0 1 FIAF CC(C)C(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599942 JEIDFPDQGQUPGC-WIYYLYMNSA-N 354.402 4.118 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(C)c3ccccc23)N1 587768046 ZNQKCKJUBUVNSD-QGHHPUGFSA-N 374.257 4.099 0 1 FIAF CC(C)[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774015 KXZXXQJMYHORMN-SGTLLEGYSA-N 363.274 4.417 0 1 FIAF CC[C@H](C)OC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798266 ZFTLIAVQHURIQZ-RLFDGXBXSA-N 372.278 4.069 0 1 FIAF CCC[C@]1(C2CCNCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799435 XCKVURBCCPANIF-KZULUSFZSA-N 369.322 4.117 0 1 FIAF C=C(c1cccc(O)c1)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867937 RPLXJCXYVQLFDO-UHFFFAOYSA-N 361.323 4.197 0 1 FIAF CCc1ccc(C(=O)CCc2nc3ccc(Br)c(O)c3[nH]2)cc1 587954931 DSSLORUIBKJGKV-UHFFFAOYSA-N 373.250 4.409 0 1 FIAF CCOc1cccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)n1 962691690 ARAHXXMARFCIJB-VLIAUNLRSA-N 358.482 4.072 0 1 FIAF Cc1ccc(S(=O)(=O)N2N=C3CCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 1857549492 ORETWNHURJXTFQ-HKUYNNGSSA-N 358.438 4.036 0 1 FIAF Cc1nc(-c2cc(C(=O)Oc3ccccc3Br)no2)cs1 1857565639 AAVLDWSMVRZWAR-UHFFFAOYSA-N 365.208 4.088 0 1 FIAF CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1 1857757404 RJXWGPDMMDILGJ-UHFFFAOYSA-N 373.416 4.001 0 1 FIAF CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1CC[C@]1(C)c3cocc3CC[C@@H]12 2356627011 SMXDQQCBDPYKBT-VNXMGFANSA-N 360.494 4.242 0 1 FIAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](C)C(C)C)c(OC)c1 777237 QBQZVURIOVCMIB-ZDUSSCGKSA-N 374.481 4.431 0 1 FIAF Cc1ncccc1-c1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1 3814806 HUQCYZLKBCHDRR-UHFFFAOYSA-N 358.850 4.176 0 1 FIAF CC[C@@H](C)C[C@H](C)C1=Cc2cc3c(c(O)c2CO1)C(=O)C(=O)C(OC)=C3 5922227 BRHYSVIYRNFZEB-NEPJUHHUSA-N 356.418 4.088 0 1 FIAF biogenic CC(=O)Cc1ccc2c(c1)-c1[nH]c3ccc(C(F)(F)F)cc3c1CC(=O)N2 13532107 KQINIHDQMUXUNU-UHFFFAOYSA-N 372.346 4.480 0 1 FIAF CCOC(=O)c1cn2ncnc(Oc3ccc4[nH]ccc4c3)c2c1C(C)C 13684229 ITPVQKYFDVJVFO-UHFFFAOYSA-N 364.405 4.303 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H]3CC=CC[C@H]23)cc1OC 26152609 SEWBUIWTHYNBNC-ROUUACIJSA-N 362.429 4.037 0 1 FIAF CCOC(=O)C1=C[C@@H]2[C@H](CC)CCN3CCc4c(n1c1ccccc41)[C@@H]23 27623760 VGAYLYPKNAGUGZ-WIBUTAKZSA-N 350.462 4.004 0 1 FIAF COc1ccc(COc2cc(C)cc(N3C(=O)c4ccccc4C3=O)c2)cc1 28572443 WIMMIFWDMSNGIA-UHFFFAOYSA-N 373.408 4.383 0 1 FIAF Cc1ccc(Cn2cc(/C=C3/[C@@H](O)C4CCN3CC4)c3ccccc32)cc1 28826437 RYWSIHNNOAHWNO-BJYRUZDYSA-N 358.485 4.425 0 1 FIAF CCC(=O)Oc1c(OC)c(OC)c(OC(=O)CC)c2cc(Cl)ccc12 29312685 OZLIGBSCDMPUCY-UHFFFAOYSA-N 366.797 4.141 0 1 FIAF COc1ccc2nc(Cl)c(Cn3cc(-c4ccccc4)nn3)cc2c1 53229952 KDOGWHWDPXMONY-UHFFFAOYSA-N 350.809 4.204 0 1 FIAF CCOc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1Cl 72107992 MOEQPDYTFQLEOK-SFHVURJKSA-N 369.852 4.341 0 1 FIAF CCN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc(F)cc2)n1 82140253 XOXKNCBLNZUOHP-UHFFFAOYSA-N 370.472 4.144 0 1 FIAF O=C(Nc1ccccc1-c1nnc(-c2ccc(O)cc2)o1)c1ccccc1 95557580 LHRXQPNUFYRJGI-UHFFFAOYSA-N 357.369 4.362 0 1 FIAF CCCc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1 96939177 GRDXCGZCXXWBFC-UHFFFAOYSA-N 358.398 4.069 0 1 FIAF OC1(c2ccc(Cl)cc2)C[C@H]2CC[C@H](C1)N2Cc1n[nH]c2ccccc12 101185177 IHAPBZBYXJKWJA-IAGOWNOFSA-N 367.880 4.231 0 1 FIAF O=C1C[C@H]2S[C@@](COCc3ccccc3)(CCN2Cc2ccccc2)C1 105531468 PKUIUVYDOOWWBW-YADHBBJMSA-N 367.514 4.270 0 1 FIAF O=C(O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1c1ccc(C2(O)CCC2)cc1 117777820 UDUDIBSBQYFJTI-UIHZJKCDSA-N 356.462 4.322 0 1 FIAF COC(=O)[C@]1(c2ccccc2)N=CN(CC2CC2)[C@H]1c1ccc(Cl)cc1 143616833 KKPFCCCQGQMYFC-PZJWPPBQSA-N 368.864 4.204 0 1 FIAF Cc1nn(C2CCCCC2)c2c1C(c1ccccc1Cl)=NCC(=O)N2 169335556 AGNSKPPZAHKTBL-UHFFFAOYSA-N 356.857 4.140 0 1 FIAF Brc1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587016557 NAYMTNZMBSCERN-LBPRGKRZSA-N 350.241 4.300 0 1 FIAF O=C1CSc2ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2N1 587042881 ICZBGVVKRFDCLS-UHFFFAOYSA-N 365.336 4.173 0 1 FIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cnccc4[nH]3)c(F)c2)c1 587146985 DUZTUZUZMFMBPG-UHFFFAOYSA-N 363.348 4.138 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2OC2CCC2)[C@H]1c1ccc(F)cc1 587352492 JSEQNRLAGLLCKB-ONTIZHBOSA-N 368.404 4.361 0 1 FIAF C[C@@]1(c2ccns2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370328 AGXIKQBRHCHGAD-MJGOQNOKSA-N 355.390 4.262 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(OC)ccc(OC)c31)CC2=O 587481246 QHZKNBCIMBMKIT-QFIPXVFZSA-N 368.429 4.169 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](CCc1nc3ccccc3o1)CC2=O 587482812 KIJFLXKQIBDMTD-ZDUSSCGKSA-N 351.402 4.453 0 1 FIAF O=C1C[C@@H](c2c[nH]c3cccc(C(=O)O)c23)Oc2c1ccc1c2CCCC1 587525754 PKRHNMUEEBIBFL-IBGZPJMESA-N 361.397 4.451 0 1 FIAF Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)s1 587660383 CDBIQEKGKSWCDB-UHFFFAOYSA-N 364.401 4.261 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(O)ccc2F)N1 587720699 UABKIELSWNIKLZ-HUTHGQBESA-N 368.221 4.231 0 1 FIAF O=C([C@@H]1Cc2ccccc2[C@H](c2cc(-c3ccccc3)no2)N1)C(F)(F)F 962761956 ILHZCFNNHQUBID-FUHWJXTLSA-N 372.346 4.077 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccccc1OCC(F)F 963046219 IMMRZCWIXKHWOB-OAQYLSRUSA-N 370.399 4.122 0 1 FIAF COc1ccc(CC[C@@]2(C)NCCc3c(OC)ccc(Cl)c32)cc1O 963257064 GMWFLVBFNPXWBA-HXUWFJFHSA-N 361.869 4.057 0 1 FIAF COc1ccc(Cl)cc1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772621806 ZZUWTZKGPRLLMI-INIZCTEOSA-N 372.808 4.314 0 1 FIAF O=C1Nc2cc3c(c(Cc4ccccc4)c2O[C@H]1c1ccccc1)OCO3 1857753439 FHTMMMNYZACVKX-IBGZPJMESA-N 359.381 4.078 0 1 FIAF Cc1c(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)oc2c(F)cccc12 11662989 FVKORKLOGDBLPG-HNNXBMFYSA-N 352.287 4.309 0 3 FIAF O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1)c1cccc(F)c1 1368852 PLGNJYPQGPSPRO-SFTDATJTSA-N 352.453 4.141 0 1 FIAF CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1 1488956 FZGSSCBBLPSBGU-UHFFFAOYSA-N 366.364 4.166 0 1 FIAF Clc1ccccc1N1CCN(CCCOc2ccc3c(c2)CCC3)CC1 26567497 VERDWESANNWODA-UHFFFAOYSA-N 370.924 4.420 0 1 FIAF CCCC(C)(C)[C@@H](O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCO 35000836 JNARRKHWUSWJGJ-UDHCHFQSSA-N 368.558 4.019 0 1 FIAF CN1CC[C@@H](n2cc(S(=O)(=O)c3cccc(Cl)c3)c3ccccc32)C1 43128351 INCWGVPGPVQEOT-OAHLLOKOSA-N 374.893 4.004 0 1 FIAF COc1ccc(NC(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1 58649918 SHATZMLRJAGZOC-UHFFFAOYSA-N 370.840 4.130 0 1 FIAF Cc1ccc2oc(NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)nc2c1 66114484 AUDMHRWHHICKMF-UHFFFAOYSA-N 373.453 4.112 0 1 FIAF COc1ccc(CNC(=O)Nc2cc(-c3ccccc3OC)ccn2)cc1 72182235 MIGAGSSRLIUSSN-UHFFFAOYSA-N 363.417 4.088 0 1 FIAF CC(C)[C@]1(O)CC[C@]2(C)C=C[C@@H](C)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 149565980 AFNSACJBBUAMGY-GYIABGQCSA-N 358.478 4.317 0 1 FIAF CCOC(=O)/C=C1/CC[C@@H]2[C@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 195316779 SLLCGKGKUIUVBU-FJMZABLASA-N 371.521 4.465 0 1 FIAF COc1cc(C(=O)c2ccn(-c3ccc(Cl)cc3)c2)cc(OC)c1OC 299824449 CCAVMIQQQISYAK-UHFFFAOYSA-N 371.820 4.388 0 1 FIAF O=[S@@](c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 473083771 DIKALZJUFICOTP-MHZLTWQESA-N 374.509 4.097 0 1 FIAF Cc1nn(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c(C)c1Br 586979284 VROHNMHEOWRAGI-UHFFFAOYSA-N 373.176 4.206 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)Cc1cccnc1C3 586987803 GNRCNMZDOZZCJK-UHFFFAOYSA-N 350.377 4.042 0 1 FIAF COC(=O)c1ccc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2n1 587013279 RLRPIZQEDRGJQD-UHFFFAOYSA-N 364.430 4.152 0 1 FIAF O=C(O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587013441 WNOVSKREOJMLAH-UHFFFAOYSA-N 364.224 4.025 0 1 FIAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587062825 WUFZZJWYTRYOIS-CQSZACIVSA-N 357.797 4.077 0 1 FIAF Cc1cc(F)c2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2c1 587074388 UYRCHGRKLNYMPQ-UHFFFAOYSA-N 355.804 4.279 0 1 FIAF COC(=O)C[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587099314 YSODJNJFEMVRLS-CYBMUJFWSA-N 357.409 4.348 0 1 FIAF COC(=O)c1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587133989 HERQFLQZSGJPDP-WAYWQWQTSA-N 368.261 4.215 0 1 FIAF COC(=O)c1cc(Br)c2[nH]c(-c3ccc(C)cc3F)nc2c1 587145289 KHYXRBXEOZTFSQ-UHFFFAOYSA-N 363.186 4.227 0 1 FIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(F)cnc(Br)c2[nH]1 587196851 YWAVMJZPSWWHBE-VIFPVBQESA-N 363.234 4.077 0 1 FIAF CCOC(=O)c1ccc2nc(CCCNc3cc(C)ccc3OC)[nH]c2c1 587229084 NJISNKNEKACDMJ-UHFFFAOYSA-N 367.449 4.101 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc(C)c(Cl)c(C)c31)O2 587377908 KZCYEWQSGHAWBU-FQEVSTJZSA-N 357.837 4.491 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)cn1)CC2=O 587464202 KZPVVBQABLJUHZ-MRXNPFEDSA-N 351.324 4.465 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1ccccn1)CC2=O 587492963 YZGWDFOIRHQDMI-JOCHJYFZSA-N 360.413 4.044 0 1 FIAF C[C@@]1(c2cnc3ccoc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588614 UFKGFTFBBKVBTA-UGKGYDQZSA-N 373.364 4.410 0 1 FIAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)n1 587589621 WDJRTJHSCXPUSP-DENIHFKCSA-N 361.397 4.281 0 1 FIAF CS(=O)(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cccc(F)c12 587633520 FYHZZUCCTYUATL-UHFFFAOYSA-N 357.328 4.396 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2ccccc2F)N1 587726283 HWYMQKKNPYDWBT-QLJPJBMISA-N 368.221 4.382 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3cc[nH]c3c2)N1 587806938 WTGFEJDIGTYSAP-HUTHGQBESA-N 360.230 4.088 0 1 FIAF CCc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587855984 XHDBKSWAGLDQJZ-ANRSDYALSA-N 355.276 4.231 0 1 FIAF COc1cccc([C@@H](C)Cc2nc3ccc(Br)c(O)c3[nH]2)c1 587931793 ODQUWZGXFHYNCF-JTQLQIEISA-N 361.239 4.386 0 1 FIAF CCOC(=O)Cc1ccc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2c1 587932751 VIWSSMCCCXSRBH-CQSZACIVSA-N 352.434 4.023 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587952447 QWFLKZQPHIZXOX-AHIWAGSCSA-N 360.454 4.405 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)nc3ccccn23)N1 962947456 NFNBCBHCQPOGMV-SGTLLEGYSA-N 350.853 4.483 0 1 FIAF CC(C)Cc1ccc([C@H](C)C(=O)OCCC(=O)NCc2ccccc2)cc1 1857556620 SVBHMPVDGHLTPW-SFHVURJKSA-N 367.489 4.238 0 1 FIAF Oc1ccc(Nc2cc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3cn2)nc1 1857646455 DNZGXCUHQURFLO-UHFFFAOYSA-N 371.322 4.488 0 1 FIAF NC(=O)c1cc(-c2ccc3ccccc3c2)ccc1N[C@H]1CC[C@H](O)CC1 1857750343 CYULDVHHUYHINA-MXVIHJGJSA-N 360.457 4.321 0 1 FIAF CC(C)=CCc1ccc([C@@H]2C(=O)O[C@@H](Cc3ccc(O)cc3)[C@H]2C)cc1O 2356474130 DKONIHYALJLLSF-KBJGYGKASA-N 366.457 4.494 0 1 FIAF CCCCCC(=O)N1CCC[C@@H](c2nc(-c3ccc(OC)cc3)no2)C1 4890171 GHXVOJCMKPUIPO-MRXNPFEDSA-N 357.454 4.032 0 3 FIAF COc1ccccc1NC(=O)Nc1nc([C@H](N)Cc2ccccc2)cs1 61925582 LVKPYKHFSNBMAL-CQSZACIVSA-N 368.462 4.038 0 3 FIAF Cc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CCCC2)cc1 3038474 SDSOMZDHRWCFFP-FQVRHNBASA-N 368.521 4.228 0 3 FIAF COc1ccc2[nH]cc(CCNc3cc(-c4ccccc4OC)ncn3)c2c1 4266105 DFPIDMUXWOBPBG-UHFFFAOYSA-N 374.444 4.297 0 1 FIAF FC(F)(F)c1cnc(Nc2ccc(N3CCOCC3)cc2)c(Cl)c1 8165167 VGAPEDPZBUERRC-UHFFFAOYSA-N 357.763 4.334 0 3 FIAF Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23C[C@@H]3c2ccccc2)c1 104447056 VETXTVBCJVYCHS-WHZJULEDSA-N 355.437 4.090 0 1 FIAF CCCC[C@@H](O)C1=CC[C@@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@H]3C1 100961484 DJYWGBMTZMYDEB-SSGKUCQKSA-N 355.522 4.081 0 1 FIAF CCOC[C@H]1C(=O)NC(=O)C(CC)=C1Sc1cc(Cl)cc(Cl)c1 102805449 IQBKCXKFTQNEJD-CYBMUJFWSA-N 374.289 4.059 0 1 FIAF c1ccc(CCn2c(Cn3nnc4ccccc43)nc3ccccc32)cc1 26271021 GMEXLGHMJJZWNN-UHFFFAOYSA-N 353.429 4.072 0 1 FIAF CC1(C)[C@H]2CC[C@@H](CN3CCC(N4C(=O)Cc5ccccc54)CC3)[C@@H]1C2 26748670 VBVYMUJWPFCVLU-BJLQDIEVSA-N 352.522 4.112 0 1 FIAF COc1cccc([C@H](NC(C)=O)c2nc(-c3ccccc3OC)cs2)c1 61905786 XKWGXMLXNIQILV-IBGZPJMESA-N 368.458 4.053 0 3 FIAF COc1cccc(C(=O)N[C@](C)(C(=O)c2cccc(C)c2)C(C)C)c1C 27547638 KZNIYXXRSCKTRG-QFIPXVFZSA-N 353.462 4.339 0 1 FIAF CN(C)C[C@@H]1C[C@H]2c3ccccc3Cc3ccc(Br)cc3N2O1 26508249 BGGSRICBOHRXMJ-LPHOPBHVSA-N 373.294 4.167 0 1 FIAF CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356530070 BEDVMNFREUAOFL-AFJIZLHOSA-N 374.521 4.059 0 1 FIAF CC(=O)O[C@@H]1CC(C)=C[C@H](O)C[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)O)[C@H]12 2356732773 VUXOPRKKIFEKKX-XLOYSKKASA-N 364.526 4.015 0 1 FIAF O=C1O[C@H](Cc2ccccc2)C(=Cc2ccccc2)[C@]1(O)Cc1ccccc1 14585028 WGASWKHIQMYEHL-ILBGXUMGSA-N 370.448 4.212 0 1 FIAF biogenic CC(=O)N[C@@H](CC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 45484587 JCLVJJROTLVOBB-INIZCTEOSA-N 364.214 4.038 0 1 FIAF O=C(O)Cn1c(SCCCCOc2ccccc2)nc2ccccc21 84653270 YEIYZSIUMBJOCL-UHFFFAOYSA-N 356.447 4.072 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 82142096 GDSMGVSROVZFDH-OFQRWUPVSA-N 356.470 4.256 0 1 FIAF COc1ccc2occ(CSC(=S)N(C(C)C)C(C)C)c(=O)c2c1 43078458 QOYIRQVWOBUFIL-UHFFFAOYSA-N 365.520 4.439 0 1 FIAF CN(C)C(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 84714882 YZRGHXWLQUPRFQ-LCDGHNAASA-N 360.542 4.238 0 1 FIAF Fc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 95595789 JKYRQBXVHWZLII-UHFFFAOYSA-N 370.453 4.415 0 1 FIAF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2ccc(F)c(Cl)c2c1CCCO 587630867 DTJMEVUIFLCRIO-JTQLQIEISA-N 370.852 4.471 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4nccs4)c1C)[C@@H](C2)C3=O 587450133 DXEQLAFTQRHUEC-KXBFYZLASA-N 366.442 4.048 0 1 FIAF COc1c(F)ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1N 587133453 QBBGVRJZJCXZMP-UHFFFAOYSA-N 370.609 4.376 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(C)C)c(OC)c1)[C@@H](C2)C3=O 587440390 GRWMMCPSPHWESI-KSFYIVLOSA-N 368.429 4.227 0 1 FIAF CC(C)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341189 WPLUORNLJDJLGS-OSUVXIFVSA-N 369.436 4.360 0 1 FIAF O=C(N[C@@H](c1ccccc1)c1nc2cc(Cl)ncc2[nH]1)c1ccccc1 587220468 SFUCWKYQJWSEPI-SFHVURJKSA-N 362.820 4.131 0 1 FIAF C[C@]1(C2CCSCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620379 YSANCZODZPJFMF-FXAWDEMLSA-N 356.443 4.256 0 1 FIAF CC[C@]1(C2(c3ccccc3)CCNCC2)CC(=O)c2cc(C)cc(N)c2O1 587402598 ZSBRQLSGKWSXAX-HSZRJFAPSA-N 364.489 4.013 0 1 FIAF COc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1F 587223520 CHSXZJHLPMKXGQ-INIZCTEOSA-N 363.433 4.467 0 1 FIAF CC(C)CCOc1ccc(Br)cc1-c1nc2ncc[nH]c-2n1 586982459 ZGWPZPMCAXPKDF-UHFFFAOYSA-N 361.243 4.159 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1NCCC2 587597104 SHVIRWZANYDXCI-AUSIDOKSSA-N 373.408 4.453 0 1 FIAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccccc1N)[C@@H](C2)C3=O 587433276 PTPBAEMHRCSIJS-YADARESESA-N 371.436 4.163 0 1 FIAF CC[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587817043 HMTLGGNXIJJHPM-AGKHESDQSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cn(C)nc23)N1 587761790 WFGYXGPRLQWDFB-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)nc2)N1 587706895 SKLLNINWUVDRDI-XXFAHNHDSA-N 369.665 4.434 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)OC)s1)CC2=O 587493375 GORSIZROUXIKPF-LJQANCHMSA-N 360.431 4.073 0 1 FIAF Cc1ccc2c(ccc3nc(C4(C(=O)OC(C)C)CC(F)(F)C4)[nH]c32)n1 587131260 ARSNVRHZFQTNOC-UHFFFAOYSA-N 359.376 4.038 0 1 FIAF NCCNc1cc(N2CCCc3ccccc3C2)nc2cccc(Cl)c12 205310286 WEFBASFWUAXVSU-UHFFFAOYSA-N 366.896 4.212 0 1 FIAF COc1ccc2ccc3c(c2c1)C[C@H](N)[C@@H](c1cc(F)c(F)cc1F)O3 1772592635 MDQFWLGJEDPEFU-AZUAARDMSA-N 359.347 4.269 0 1 FIAF COc1cc(N[C@@H](C)CCCN)c2nc(OCc3ccccc3)ccc2c1 5929394 HAFRQKJIGSWNQQ-INIZCTEOSA-N 365.477 4.362 0 1 FIAF COC(=O)c1ccc(Cn2cnc3ccc(-c4c(C)noc4C)cc32)cc1 169322622 UDSRASFOGLDIJI-UHFFFAOYSA-N 361.401 4.143 0 1 FIAF C/C(=C\CC[P@@](=O)(OCOC(=O)C(C)(C)C)Oc1ccccc1)CO 1857559919 LBCULEITAVDXKT-UVSKUAMOSA-N 370.382 4.151 0 1 FIAF COc1cc(/C=C\c2ccc3c(c2)c(C(=O)O)cn3C)cc(OC)c1OC 1857652486 UEDFSZGDMNXNBR-WAYWQWQTSA-N 367.401 4.073 0 1 FIAF CCN(CC)c1ncnc2sc(C(=O)N(C)C3CCCCC3)c(C)c12 2925865 NKWLJPOUUFIWGY-UHFFFAOYSA-N 360.527 4.251 0 1 FIAF C=C[C@](C)(O)CC[C@]1(C)C2=C([C@H](OC(C)=O)[C@H](O)[C@H]1C)C(C)(C)CCC2 15266491 HEUKTFJGHNRGIR-XXXODOGBSA-N 364.526 4.159 0 1 FIAF biogenic Cc1cccc2nc(N[C@H](C)c3ccc(Br)cc3)oc(=O)c12 26184824 IBEVHLOERUNRSM-LLVKDONJSA-N 359.223 4.432 0 1 FIAF O=S1(=O)c2ccccc2Oc2cccc([C@@H](O)c3cccc(Cl)c3)c21 26186324 KVXZWSIVLALKMM-SFHVURJKSA-N 372.829 4.360 0 1 FIAF CCC(CC)(C(=O)O)c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O 26394690 AHLVHJOUPJLNLB-OXJNMPFZSA-N 354.446 4.114 0 1 FIAF O[C@](Cn1ccnc1)(c1ccc(F)cc1)c1ccccc1-c1cccnc1 26844429 VJRVCTWTQFKXFS-JOCHJYFZSA-N 359.404 4.020 0 1 FIAF Cc1cc(C)c(NC(=O)C2=C(c3ccccc3)N3CCN=C3S2)c(C)c1 27712319 GNTQUXIOZNMQSA-UHFFFAOYSA-N 363.486 4.338 0 1 FIAF Nc1nc2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC2 28714158 ANNRJHLKKKJIJA-DKZVUGQWSA-N 351.494 4.269 0 1 FIAF CN1CC[C@H](n2cc(S(=O)(=O)c3cccc(Cl)c3)c3ccccc32)C1 43128348 INCWGVPGPVQEOT-HNNXBMFYSA-N 374.893 4.004 0 1 FIAF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2cccc(OC)c2c1=O 49112914 ZLHNEFSXDGNBKG-UHFFFAOYSA-N 357.793 4.034 0 1 FIAF FC(F)(F)c1cccc(Sc2ccc3c(c2)N2CCNC[C@@H]2C3)c1 71294594 XYEDCHJYYOEJSU-AWEZNQCLSA-N 350.409 4.191 0 1 FIAF COc1ccc(-c2nn(C(=O)c3ccccc3)c3ccccc23)cc1OC 95554612 SHUSNLLOQPLRNE-UHFFFAOYSA-N 358.397 4.409 0 1 FIAF COc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3[nH]2)cc1 169351376 JDHJPXLXVWEFKE-UHFFFAOYSA-N 356.389 4.049 0 1 FIAF O=C(NCc1c(Cl)cc(Cl)cc1C1CC1)[C@H]1COc2ncccc21 205615895 WWPUQDAHZIEYBE-HNNXBMFYSA-N 363.244 4.058 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C 257442924 IEAUFJOLHRNYMW-NMFYTZMJSA-N 364.526 4.015 0 1 FIAF endogenous,in-man O=C(Nc1ccccc1C(=O)O)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 299846148 VHVWSNNRYZAKFT-FZNQNYSPSA-N 372.396 4.036 0 1 FIAF COc1ccc(Cc2nc3c(C)cc(Br)cc3[nH]2)cc1OC 317302186 ALHKNMWPABFGOZ-UHFFFAOYSA-N 361.239 4.242 0 1 FIAF COc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2n1 586878949 FYPWNURNBOFRDP-UHFFFAOYSA-N 359.385 4.307 0 1 FIAF Clc1cnc2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587011794 CTWCTRHZKODXBF-UHFFFAOYSA-N 355.648 4.375 0 1 FIAF Cc1cc(C)c2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 587132048 HYSXMUMDTFSCIQ-LBPRGKRZSA-N 351.397 4.149 0 1 FIAF CCc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587196985 FTZZXHNKAUBEFV-HNNXBMFYSA-N 359.470 4.041 0 1 FIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cccc(C(N)=O)c2[nH]1 587247171 ISZQHFCZLVDDDM-UHFFFAOYSA-N 372.428 4.077 0 1 FIAF Cc1ccc(C(=O)Cc2c(CCC(=O)O)nc3cccc4c3c2CC4)s1 587358054 AQBOZPGAUAYQFK-UHFFFAOYSA-N 365.454 4.146 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c3c(c1)OCO3)CC2=O 587463707 XGUPQVRCEUUNJR-INIZCTEOSA-N 360.793 4.433 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1nc(CC)n3ccccc13)CC2=O 587486883 MZSASPXEUMOXTD-GOSISDBHSA-N 350.418 4.261 0 1 FIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(Cl)cc12 587498668 FNQYGJZIXKDCOR-HXUWFJFHSA-N 353.805 4.032 0 1 FIAF COc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587558484 SOQXYYWAPQUOND-WIYYLYMNSA-N 366.344 4.243 0 1 FIAF CCc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587615117 VWTSIJMAIATKOO-LPHOPBHVSA-N 353.399 4.114 0 1 FIAF C/C=C/C(=O)Oc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC 1857612691 WGGABCPRQSKJQH-QPJJXVBHSA-N 365.385 4.051 0 1 FIAF COc1cc2c(cc1OC)C(=O)C[C@H](c1ccc(CN3CCCC3)cc1)O2 1857657065 ZINFYRCWOWQQQX-LJQANCHMSA-N 367.445 4.006 0 1 FIAF CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 3978053 VPGRYOFKCNULNK-HUCDYXQFSA-N 372.505 4.267 0 1 FIAF O=C(O)C1=C(c2ccccc2)c2ccccc2O[C@H]1c1ccc2c(c1)OCO2 13473344 UCOQIZHGNIKEJW-QFIPXVFZSA-N 372.376 4.436 0 1 FIAF Cc1ccc([C@](O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1 13650900 DSPVMSJCMXFRKW-HSZRJFAPSA-N 355.441 4.190 0 1 FIAF COc1ccc2ncnc(Nc3cccc(Br)c3)c2c1OC 13745562 YNRSJGOUWDDUMY-UHFFFAOYSA-N 360.211 4.153 0 1 FIAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C(=O)[C@H](C)[C@@H]2C)cc1O 14726882 USTTXTJFVCFCIT-XXRNEEKGSA-N 356.418 4.018 0 1 FIAF biogenic c1ccc(COc2ccc(Cc3ccc(NC4=NCCN4)cc3)cc2)cc1 26001259 GMUIKVPURQDOIP-UHFFFAOYSA-N 357.457 4.228 0 1 FIAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2NCCN1CCCC1 28003967 ISGRKXLPUHUAHK-UHFFFAOYSA-N 358.486 4.270 0 1 FIAF CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1 43012037 PHEJGIHBLBFCLD-UHFFFAOYSA-N 353.472 4.434 0 1 FIAF CCC1=NCc2nnc(-c3cccc(OC)c3)n2-c2ccc(Cl)cc21 73296869 DZKRHOGSGQVFSC-UHFFFAOYSA-N 352.825 4.309 0 1 FIAF CCCCOCCCNc1cncc(Oc2cccc3cccnc23)n1 82068640 DGYLVBCLWPZELN-UHFFFAOYSA-N 352.438 4.436 0 1 FIAF Cc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 95597303 SVOXENSKKJNKOR-UHFFFAOYSA-N 359.882 4.387 0 1 FIAF Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccnc3)nc12 96167763 ZVVNPLLNFALAOH-UHFFFAOYSA-N 363.808 4.498 0 1 FIAF Cc1cc(C(=O)Cc2cccc([C@]3(C)CCSC(N)=N3)c2)c(C)s1 96172029 QPEUQNNLOYQVTL-IBGZPJMESA-N 358.532 4.457 0 1 FIAF NC1(c2ccc(-c3nc4cc(CO)ccn4c3-c3ccccc3)cc2)CCC1 113656875 YRBLOFAVEJSWNY-UHFFFAOYSA-N 369.468 4.499 0 1 FIAF CC(C)[C@@H]1N(c2ccnc(N[C@H](C)c3ccccc3)n2)C(=O)OC1(C)C 142117250 WDWUOYUAYUYRQY-PBHICJAKSA-N 354.454 4.410 0 1 FIAF Nc1nnc(-c2ccc3[nH]cc(-c4nccc(Oc5ccccc5)n4)c3c2)o1 145414754 POINNGFQYFKPBA-UHFFFAOYSA-N 370.372 4.049 0 1 FIAF COc1cc([C@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)cc2c1OCO2 238782204 WMPUHRROBOWDAU-JGRMJRGVSA-N 354.402 4.113 0 1 FIAF COc1cc([C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@H](C)[C@H]2C)cc(O)c1OC 299833410 RYXZHMFDFUHLJB-DRLYEABHSA-N 372.417 4.223 0 1 FIAF CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3ccc(F)cc3n2)c1 299836196 MFOCPIUKGPNOPV-UHFFFAOYSA-N 373.815 4.067 0 1 FIAF O=C(c1ccccc1)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 586895803 ZOSYHHMSNFXMEJ-UHFFFAOYSA-N 360.457 4.378 0 1 FIAF CCN1C(=O)C[C@@H](c2nc3c(C)nc(C)cc3[nH]2)[C@@H]1c1ccccc1Cl 587062445 VSXPOUWMSZNGLC-KUHUBIRLSA-N 368.868 4.305 0 1 FIAF COC(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1OC 587074634 YRKYYEFOLRNYBS-UHFFFAOYSA-N 370.836 4.482 0 1 FIAF Clc1ccc(-c2nnc(CCc3nc4cc(Cl)cnc4[nH]3)o2)cc1 587075004 AZSZBIMJPOWFJX-UHFFFAOYSA-N 360.204 4.100 0 1 FIAF COC(=O)C[C@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587098773 UEQITXWVZHUTMJ-CYBMUJFWSA-N 357.409 4.033 0 1 FIAF Cn1ccnc1[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587105134 PPWUCBJQCGYYIN-AWEZNQCLSA-N 365.436 4.452 0 1 FIAF O=C1CCc2cc3nc(-c4[nH]c5ccc(F)cc5c4Cl)[nH]c3cc2N1 587173898 AHMPBMRWCYSGPX-UHFFFAOYSA-N 354.772 4.388 0 1 FIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(Br)nc3[nH]2)c1 587242257 QHPQVUBTEIWNLB-UHFFFAOYSA-N 373.254 4.372 0 1 FIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)cc(Cl)c3[nH]1)C2 587246195 DKZGNDBVVPPQAE-SFHVURJKSA-N 362.260 4.221 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1F)O2 587383078 XERKXMHOJTYKBI-HNNXBMFYSA-N 350.187 4.185 0 1 FIAF CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587409522 WIMXGYLEEHWXFL-YJYMAGBRSA-N 357.450 4.138 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(O)c1)[C@@H](C2)C3=O 587449918 KGTIQCRBIBWINY-CVDCTZTESA-N 358.393 4.092 0 1 FIAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C(C)C 587583675 WNMDGYOBCYMUCZ-NQIIRXRSSA-N 364.401 4.181 0 1 FIAF CC(C)(CCC(=O)O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603305 LTPJREGDHSBDAJ-UWJYYQICSA-N 370.401 4.004 0 1 FIAF C[C@@H]1CC(C)(C)CC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603317 LWCYBWYEALMCOH-JCHSIQAQSA-N 366.413 4.118 0 1 FIAF Cc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613430 XXRADZHSVHHDOU-REWPJTCUSA-N 374.392 4.340 0 1 FIAF CSC[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587703093 FRYVBXCFXQCNMD-JMCQJSRRSA-N 372.225 4.243 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)nc2)N1 587706963 TXKWNINLFUOXLI-VXJOIVPMSA-N 355.638 4.260 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2N)N1 587734727 VHWUZZMKHOOAEC-HUTHGQBESA-N 367.237 4.107 0 1 FIAF CC(C)Cn1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757893 HZNQQUWTNGALFK-GTNSWQLSSA-N 366.278 4.064 0 1 FIAF CCOc1ccc(OCC)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587778067 IOWNYUXVFAQLMM-UHFFFAOYSA-N 351.328 4.441 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3c[nH]nc23)N1 587791619 GQMQSJDNZXFRRO-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF Cc1cc2c([nH]1)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587800615 BXAGFWCBANGBLI-VOJFVSQTSA-N 363.274 4.339 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ncccc23)N1 587801649 HQBCZXLHVWRHFV-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c([nH]2)CCCC3)N1 587806823 VZXOLKOXTBLVCV-MGNBDDOMSA-N 363.274 4.419 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCO3)N1 587834899 NJGQAMOZRLPOQT-MGNBDDOMSA-N 362.242 4.147 0 1 FIAF CCc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587855985 XHDBKSWAGLDQJZ-AYVTZFPOSA-N 355.276 4.231 0 1 FIAF CC(C)[C@]1(C)CC[C@]2(C1)N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962694313 GVWQMVBWUGPXKE-CGTJXYLNSA-N 373.390 4.485 0 1 FIAF Cc1sc2c(c1C)CCN[C@H]2c1ccccc1OCCN1CCCCC1 963014996 WJHFNZKVWOTQAD-NRFANRHFSA-N 370.562 4.465 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c(F)c(F)c(F)c(F)c1F 963603270 CBTNQOLZLDIRLS-MDTSDYNXSA-N 373.321 4.023 0 1 FIAF CC(=O)Oc1ccc([C@@H]2c3cc(OC(C)=O)ccc3C[C@@H](C)[C@H]2C)cc1 2356337833 DQNBPZNXXFZFRR-XDEPDNQISA-N 352.430 4.497 0 1 FIAF CCC(CC)C(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccc(F)cc1 2724145 FLHPYLLKHARSCT-OAQYLSRUSA-N 368.452 4.440 0 1 FIAF COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2C)cc1 3780142 QQTWMSYHJOKNLM-FOIQADDNSA-N 370.518 4.073 0 1 FIAF investigational COC(=O)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 100779937 USASLHCCADYMNF-PQKPPPINSA-N 362.510 4.362 0 1 FIAF endogenous,in-man CCC[C@@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 101806210 ILZGABAAVFSXBX-FJTGNWTPSA-N 353.506 4.066 0 1 FIAF O=S(=O)(CC(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28218922 FHXLHLWLQXKOEG-UHFFFAOYSA-N 366.364 4.080 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@]12C 2356460194 MGXRFKNRAHZEED-JWUVWSEFSA-N 362.510 4.225 0 1 FIAF Cc1ccc(Sc2ccc(F)cc2)c(NCCCN2CCN(C)CC2)c1 22938740 ZHFMJAXBOKANGP-UHFFFAOYSA-N 373.541 4.335 0 1 FIAF Cc1ccc([C@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)cc1 64549216 VKNQPAPELMPXHY-OAQYLSRUSA-N 351.352 4.265 0 1 FIAF O=C(NCC1CC1)c1ccc(-c2cccc(NC(=O)c3ccoc3)c2)cc1 40408317 IAMSBRBAVAWEBB-UHFFFAOYSA-N 360.413 4.339 0 1 FIAF C[C@H]1COc2c(F)ccc(F)c2[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 49071196 ARPFTHRTWBFKTG-XXFAHNHDSA-N 358.793 4.162 0 1 FIAF c1ccc(Oc2ccc(-c3nnc4ccc(-n5cccc5)nn34)cc2)cc1 82060499 QIXQAOMGQZWSEG-UHFFFAOYSA-N 353.385 4.374 0 1 FIAF COc1ccc(OC)c(-c2cc(NCc3cc(F)cc(F)c3)ncn2)c1 82161033 JTFDUTHTUWTDIG-UHFFFAOYSA-N 357.360 4.051 0 1 FIAF O=C(NC(=O)c1ccccc1F)N[C@H]1c2ccccc2-c2cccc(F)c21 653792891 BTPYSBFUHCFAQG-IBGZPJMESA-N 364.351 4.174 0 1 FIAF O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1cccc2ccccc12 653887865 ZDHKZYYYAXUGJL-QPTUXGOLSA-N 364.533 4.040 0 1 FIAF O=C1C[C@@H](c2nc3cccc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F 587149187 MVPCGDWYIVDXAQ-LLVKDONJSA-N 361.779 4.011 0 1 FIAF CCOc1ccc(OCC)c(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1 587778821 UWNMGWJTKYQHOD-UHFFFAOYSA-N 374.824 4.467 0 1 FIAF Fc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1F 587029064 GTMYGEIUAWWHDQ-UHFFFAOYSA-N 367.384 4.363 0 1 FIAF COc1cc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2cc1Cl 587156363 MXIHYLXORHUSJJ-UHFFFAOYSA-N 372.787 4.225 0 1 FIAF CCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(F)F 587381943 IVMXWBAPNHTJIB-MRXNPFEDSA-N 363.360 4.284 0 1 FIAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)on1 587343562 CRNFRKBIUPXICF-QUCCMNQESA-N 353.349 4.102 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)n[nH]2)N1 587799790 YQLDXIDQBSAFGM-ABKXIKBNSA-N 366.278 4.232 0 1 FIAF Cn1cc([C@@H]2C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2(C)C)cn1 587518077 ZYIQGQRRBSSGIZ-PGRDOPGGSA-N 350.462 4.217 0 1 FIAF COc1ccc(Cc2nc3cc(C)cc(Br)c3[nH]2)cc1OC 587925991 FGLNXCTUUHPRMG-UHFFFAOYSA-N 361.239 4.242 0 1 FIAF Cn1cccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342512 NYKRUPKYXWKCPU-FPOVZHCZSA-N 351.377 4.144 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ncc1C(F)(F)F)[C@@H](C2)C3=O 587420967 IRVLQLVHLNDKAE-QFYYESIMSA-N 369.726 4.251 0 1 FIAF Nc1ccc(F)c(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c1 587141607 WWGOXNJTKSVKEO-UHFFFAOYSA-N 354.610 4.291 0 1 FIAF Cc1cccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc12 587776361 WYZFZGTZISSPOT-DIFFPNOSSA-N 374.257 4.168 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1F)[C@@H](C2)C3=O 587426133 LPAWHASMPHWMRX-SJCJKPOMSA-N 363.182 4.086 0 1 FIAF CO[C@@H]1[C@H](C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 587813330 UVXZKVKCMCIVAA-ZKBKOZIGSA-N 368.290 4.153 0 1 FIAF C[C@@H]1C[C@@]2(NCCc3c(C(=O)O)cccc32)c2cccc(Br)c21 963125745 SRXAKRGLSLRTIG-WYRIXSBYSA-N 372.262 4.044 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]21CCCN(Cc2ccccc2)[C@H]1C 963259107 RKQBEPOFCSBZDQ-KSFYIVLOSA-N 370.924 4.374 0 1 FIAF O=c1oc2ccc(Cl)cc2c(Cl)c1[C@H]1NCCc2ccc(O)cc21 963352563 MFQSRGHYBXGKCU-KRWDZBQOSA-N 362.212 4.041 0 1 FIAF CN(C)CCNC(=O)c1ccccc1Sc1cccc2ccccc12 1772651130 UGLDEUVKNFUMGO-UHFFFAOYSA-N 350.487 4.282 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1n[nH]cc1CO 1772605140 JPGNLJOWRKJWOK-VYAQIDIUSA-N 368.521 4.219 0 1 FIAF CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)/C=C\CCCC(=O)O 12496228 JBRPFYYLEQERPG-XTIXYJHRSA-N 360.494 4.491 0 1 FIAF endogenous,in-man CC(C)COc1cc(NCc2ncc(-c3ccccc3)[nH]2)ccc1C(=N)N 1857564111 LACJHIYDAGYKCZ-UHFFFAOYSA-N 363.465 4.008 0 1 FIAF Cc1cc(=N)[nH]c2cc(-c3ccc(OCc4ccccn4)c(CN)c3)ccc12 1857588644 IYSGQZIVZRDDAE-UHFFFAOYSA-N 370.456 4.055 0 1 FIAF COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(C)cc2)cc1 1857765727 BKMFYLVWVWRHKN-UHFFFAOYSA-N 357.409 4.400 0 1 FIAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)NCCOc1ccccc1 2483424 OLMXALALCHQZNY-UHFFFAOYSA-N 364.445 4.448 0 1 FIAF CC[C@@H]1CCCCN1C(=O)CSc1nnc(C)n2c1cc1sccc12 6893815 PXOMRLYVGNEYHH-CYBMUJFWSA-N 374.535 4.136 0 1 FIAF Cc1ccc(Cl)c(Nc2ccccc2C(=O)N[C@@H](C)C(=O)O)c1Cl 13438075 LOEPGBRKFZEPCZ-JTQLQIEISA-N 367.232 4.248 0 1 FIAF Cc1ccc(N2CCN(Cc3ccc4oc(=O)cc(Cl)c4c3)CC2)cc1 42922045 OGHPWVUUPJTACT-UHFFFAOYSA-N 368.864 4.077 0 1 FIAF O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccncc1 72112330 UIIMQNFCNWSTIU-UHFFFAOYSA-N 361.999 4.496 0 1 FIAF Cc1nn(-c2ccccn2)c2c1[C@H](c1ccccn1)C1=C(O)CCCC1=N2 102674681 MHOZLYYPYOIGNA-FQEVSTJZSA-N 357.417 4.185 0 1 FIAF O=C(Nc1ccc(CC[C@H]2CCCNC2)cc1)Nc1ccc(Cl)cn1 117726338 KTFZUNOOXPQURS-OAHLLOKOSA-N 358.873 4.311 0 1 FIAF O=C(NC(=O)c1ccccc1OCc1ccccc1)NC1CCCCC1 299862053 JCGHYZUHWMSEFZ-UHFFFAOYSA-N 352.434 4.038 0 1 FIAF Fc1cnc(Cl)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 587006345 LDTPJSZSUPSCEX-UHFFFAOYSA-N 365.593 4.433 0 1 FIAF COc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1OC 587027634 YFPYIDLWQVGSCP-UHFFFAOYSA-N 355.419 4.196 0 1 FIAF CSc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 587029160 ITWNAQBTZOTMIE-UHFFFAOYSA-N 368.487 4.435 0 1 FIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 587052099 YSWKWQOHFVAVJH-MRXNPFEDSA-N 371.828 4.202 0 1 FIAF CC(=O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587132456 BLMFTQIVQMTFGT-UHFFFAOYSA-N 351.164 4.442 0 1 FIAF O=C(O)CCN(CCc1nc2cc3ccccc3cc2[nH]1)Cc1ccccc1 587193797 QUBPKDHIOQLTPT-UHFFFAOYSA-N 373.456 4.236 0 1 FIAF COc1ccc(NC(C)(C)c2nc3ccc(Br)nc3[nH]2)cc1 587201120 GEWPEDJOMURFAH-UHFFFAOYSA-N 361.243 4.076 0 1 FIAF Cc1noc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351245 ZQCNOLNVPHUKSI-FPOVZHCZSA-N 367.376 4.410 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(C)cc1Br)O2 587381794 LFWSTDDUVNKJSE-MRXNPFEDSA-N 364.214 4.494 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)O2 587392507 AXMCCOWHLRGOJU-GFENJXEQSA-N 374.481 4.089 0 1 FIAF COc1cc2c3c(c1)OC1(CCN([C@@H](C)c4ccccc4)CC1)[C@@H](C2)C3=O 587438719 QTJZEODADFQRQQ-KXBFYZLASA-N 363.457 4.038 0 1 FIAF CC[C@@H]1c2cc(OC)ccc2CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443761 RRFNEIFHTIKPKW-PWHSHALESA-N 364.441 4.330 0 1 FIAF O=C(O)CC[C@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506330 ROECGASMKCLCGC-JOCHJYFZSA-N 368.404 4.430 0 1 FIAF CSc1ncc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587533695 UTOGKJRGJSCIKC-HXUWFJFHSA-N 354.475 4.266 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Cl)c1 587551704 IQBHHXQHPRWMTH-VQIMIIECSA-N 353.761 4.144 0 1 FIAF C[C@@]1(c2ccccc2C=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604044 UEOAGGCZVFVWEO-KNQAVFIVSA-N 360.365 4.082 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(Cl)n1 587608882 AIKAGYHUHFJJPH-CJNGLKHVSA-N 359.790 4.205 0 1 FIAF CCOCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587617022 OCOVPNSZZYWUKL-NQIIRXRSSA-N 366.369 4.225 0 1 FIAF COC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C(=O)O)cccc12 587637877 QIDBOIGLOPPKBI-UHFFFAOYSA-N 363.291 4.339 0 1 FIAF COc1ccccc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1NC(C)C 587650713 RRBAXPQCSFSLLF-UHFFFAOYSA-N 358.463 4.067 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3n2C)N1 587754135 CTSLQTBAERIKRD-QGHHPUGFSA-N 374.257 4.099 0 1 FIAF Cc1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587773928 SJRCPFOVNOQXDG-KPZWWZAWSA-N 363.274 4.284 0 1 FIAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587804301 APJJVTXQPMSLIC-QGHHPUGFSA-N 350.231 4.220 0 1 FIAF COc1cc2c(cc1OC)[C@@](C)(CCc1ccc(O)c(F)c1)N(C)[C@@H](C)C2 962631966 OICYZQGFRMHWTE-RCDICMHDSA-N 373.468 4.273 0 1 FIAF CCCCC[C@@H]1OC(=O)c2cc(-n3nc(C(F)(F)F)cc3O)ccc21 1772574150 KRPLQPDDQMRBNR-ZDUSSCGKSA-N 354.328 4.389 0 1 FIAF CCCN(Cc1cccs1)S(=O)(=O)c1ccc(Br)cc1 1857649783 XQQURQAYSSZBIA-UHFFFAOYSA-N 374.325 4.112 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1CC(=O)[C@H](C)[C@H]2CCC(C)=CCO 2356469445 NLSHPJQSTZKKHA-HTFPWXHTSA-N 364.526 4.306 0 1 FIAF CC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(C)ccc1c2=O 61921299 PLZBMEMMAXTGHN-GOSISDBHSA-N 369.424 4.042 0 3 FIAF CCC(CC)C(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccc(F)cc1 2724146 FLHPYLLKHARSCT-NRFANRHFSA-N 368.452 4.440 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4295715 NGRJGAMRAFGTDG-IEBWSBKVSA-N 374.843 4.487 0 1 FIAF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1 13685929 RZMJPDSNFIAJRD-UHFFFAOYSA-N 353.857 4.136 0 1 FIAF CCOC1(OCC)[C@H]2c3cc(Cl)ccc3[C@H]([n+]3ccccc32)C1(C)C 27518457 FIOXJHIGIIFMOK-OALUTQOASA-N 358.889 4.471 0 1 FIAF CCN(CC)CCn1nc2c3c(c(Cl)ccc31)[S@@](=O)c1ccccc1-2 29317879 LHSHAKBGBKSNIF-RUZDIDTESA-N 373.909 4.179 0 1 FIAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3ncc(Cl)cc3Cl)cc2)S1 45337484 QOXHRBDNLQWENQ-GFCCVEGCSA-N 369.229 4.075 0 1 FIAF CCO[C@@H](c1ccc(C(=O)OC)cc1)[C@H](SC(C)(C)C)n1ccnc1 45366126 PFORGQXALRKXGD-IRXDYDNUSA-N 362.495 4.478 0 1 FIAF N#Cc1cccc(CN2CC[C@@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)c1 51076729 ZFGXOEPOUMVTHJ-OAHLLOKOSA-N 370.378 4.443 0 1 FIAF biogenic Cc1ccc2nc(NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)oc2c1 66104912 OQLVECAAJCFVKB-UHFFFAOYSA-N 373.453 4.112 0 1 FIAF O=C(CCN1CCCC1)NN1c2ccccc2Sc2cc(Cl)ccc21 73222313 KRKONNGCDXPUEO-UHFFFAOYSA-N 373.909 4.460 0 1 FIAF CSCC[C@H](Nc1nc(-c2ccccc2)cs1)C(=O)NCC(C)C 82191837 ZZIDOVRZXAAKMN-HNNXBMFYSA-N 363.552 4.116 0 1 FIAF C[C@@H](C(=O)O)c1c(F)cc(C[C@@H]2CCCC2=O)cc1-c1ccc(O)cc1 84725152 RLOAKDJOSNIQNV-DOMZBBRYSA-N 356.393 4.298 0 1 FIAF Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4n[nH]c(=S)n4C=N[C@H]32)cc1 98084928 PISARBHCSOYSAU-MSOLQXFVSA-N 359.458 4.110 0 1 FIAF CC(=O)c1cccc(-c2ccc(C[C@]3(C)SC(=O)[C@@H](C)C3=O)cc2)c1 169720208 HELNUCPCXSQUQA-ZSEKCTLFSA-N 352.455 4.336 0 1 FIAF Cc1ccc2nc(N3CCCc4cc(F)ccc4C3)cc(NCCN)c2c1 205288389 WCVTZIXMQSKYKR-UHFFFAOYSA-N 364.468 4.006 0 1 FIAF C=C/C(C)=C\C[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)[C@@H](OC(C)=O)[C@@]1(C)O 257442922 IEAUFJOLHRNYMW-ABADDMPSSA-N 364.526 4.015 0 1 FIAF endogenous,in-man O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1cccc2ccccc12 299821182 ZDGGIHYVFAXCLZ-LDLYASANSA-N 360.457 4.358 0 1 FIAF O=C1Nc2ccccc2C[C@@]12CCCN2Cc1ccc(C(F)(F)F)cc1 299850257 VEGOYTKRNJZKLS-IBGZPJMESA-N 360.379 4.235 0 1 FIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299883792 RZYUDLQJUQIDHN-UMSONDCASA-N 374.525 4.224 0 1 FIAF Nc1ccc(-c2ccc3nc(-c4ccccc4/C=C/C(=O)O)[nH]c3c2)cc1N 586879633 MCVQQSFEMNPXNH-JXMROGBWSA-N 370.412 4.159 0 1 FIAF COc1ccc2c(C)c(CCc3nc4ccc(C)cc4[nH]3)c(=O)oc2c1C 586918958 ULFXBZGNBNKZTA-UHFFFAOYSA-N 362.429 4.388 0 1 FIAF O=Cc1cc(Br)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 586981418 CACFAJCZZUDNQT-UHFFFAOYSA-N 370.128 4.219 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(Cc3c[nH]c4ccc(F)cc34)nc2c1 587175028 OLNPZGJXYRQAJV-UHFFFAOYSA-N 357.772 4.214 0 1 FIAF COc1cc2c3c(c1)O[C@H](CCc1ccc(Br)cc1)[C@@H](C2)C3=O 587421047 ZXSAPZZTRHVERE-HZPDHXFCSA-N 373.246 4.207 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4ncc(C(F)(F)F)cc14)[C@@H](C2)C3=O 587423225 SIQXVHBSYGPEAH-SJCJKPOMSA-N 374.318 4.079 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccccc1CN1CCCCC1)[C@@H](C2)C3=O 587442373 IQYJIHNKKAUIJW-WMZHIEFXSA-N 363.457 4.170 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c(OC)c1)CC2=O 587482534 UHAJRHIXEWQCSV-IBGZPJMESA-N 356.418 4.459 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3sc(C)cn13)CC2=O 587496914 ATDOMSXCLWBJBX-MRXNPFEDSA-N 356.447 4.377 0 1 FIAF C[C@@H]1CCCCN1C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517982 YEFXRJHJCZBVEK-QRQCRPRQSA-N 355.478 4.080 0 1 FIAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587585599 FBVAZCIIXHGFTO-SIKLNZKXSA-N 361.397 4.281 0 1 FIAF CCn1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587755208 GSJWXYROCBOYAV-XYZCENFISA-N 366.278 4.045 0 1 FIAF CO[C@]1(C)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587809617 IWYFXAYDDMJMSI-FDOKIQAASA-N 356.279 4.153 0 1 FIAF CCc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587855988 XHDBKSWAGLDQJZ-VXJOIVPMSA-N 355.276 4.231 0 1 FIAF Cc1nc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587856107 XYCXVYYPRFUOQM-VXJOIVPMSA-N 355.276 4.151 0 1 FIAF C[C@@]1(Cc2cc(Cl)ccc2Cl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962905504 QFZCXOYIXYXSGX-WMZOPIPTSA-N 368.235 4.189 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1c(Cl)nc2sccn12 963257125 HPMPJDWRSFNTHB-INIZCTEOSA-N 368.289 4.120 0 1 FIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NCC3CCC3)c2cn1)c1ccccc1 1772615476 FIIKKYKNZWUENG-CYBMUJFWSA-N 364.453 4.053 0 1 FIAF COc1ccc(OC)c(-c2cc(F)cc([C@H](CC(=O)O)c3ncco3)c2)c1 1772624401 QFUGAIVVACGELA-KRWDZBQOSA-N 371.364 4.105 0 1 FIAF Cc1sc(-c2ccccc2)nc1CNc1ccc(OCC(=O)O)c(F)c1 1857571366 DQDINMREBATABW-UHFFFAOYSA-N 372.421 4.333 0 1 FIAF COc1cc(F)ccc1-c1csc([C@](C)(O)c2ccc(F)c(F)c2)n1 61928403 QKTRUHMDQCZELI-GOSISDBHSA-N 365.376 4.492 0 3 FIAF COc1ccc(CN2C(=O)[C@H](n3c(C)ccc3C)c3cccc(F)c32)cc1 206028873 TWIDNZJPRHWOSQ-OAQYLSRUSA-N 364.420 4.389 0 3 FIAF Cc1nc(-c2ccc(NC(=O)c3c(C)nc4sccn34)cc2)cs1 629517 KTNJYYXHSNBMID-UHFFFAOYSA-N 354.460 4.388 0 1 FIAF COc1ccc(O[C@H]2C=C[C@H](c3ccccc3)O[C@@H]2CO)c(C(C)(C)C)c1 7992103 LVONHWRLBWQDCP-BAGYTPMASA-N 368.473 4.429 0 1 FIAF CC(C)c1csc(CN2CCC[C@](CO)(CCOc3ccccc3)C2)n1 11754239 PWFAIEAGPFNBHV-NRFANRHFSA-N 374.550 4.310 0 1 FIAF CN(C)C[C@H]1C[C@H]2c3c(cccc3C(F)(F)F)Cc3ccccc3N2O1 13437117 ZNWOCPPAOLYORT-QAPCUYQASA-N 362.395 4.423 0 1 FIAF C/C(=C\Cc1c(O)c2c(c(C)c1-c1ccccc1)COC2=O)CCC(=O)O 13759731 CYQDFHVPXAXXBK-MDWZMJQESA-N 366.413 4.392 0 1 FIAF Cc1ccc(CNS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1 20580493 NHJKLDZYSHEPTC-UHFFFAOYSA-N 370.474 4.054 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CN=C4C=C(O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26478505 CXIZEAWVDWCMQV-BUYGKUCFSA-N 370.537 4.432 0 1 FIAF CCc1nnc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)s1 28712620 HXUUGNZDLMIMCN-GFCCVEGCSA-N 360.291 4.186 0 1 FIAF CCC[C@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 29471315 ASRGIKPNODZIHT-IMNFJDCFSA-N 367.533 4.456 0 1 FIAF Cc1cc(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1 34600277 XKGSRQAKFXSURB-UHFFFAOYSA-N 354.281 4.352 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccc(O)cc4)cc3)[nH]c2c1 64512529 FMHBOXDGWUJYGP-UHFFFAOYSA-N 364.426 4.006 0 1 FIAF CCCc1cc(OC(F)(F)F)cc2c1O[C@H](C(F)(F)F)C(C(=O)O)=C2 64559801 AEIGTKUKBWYPFQ-LBPRGKRZSA-N 370.245 4.329 0 1 FIAF c1nc(NCC[C@H]2CCCO2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 66138677 AXGRTOLQCBIWOO-MRXNPFEDSA-N 363.417 4.007 0 1 FIAF CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](OC(=O)C(C)C)[C@@]2(C)[C@@H]1C 85767795 MJFYXJSSTPWZDK-YHZNOWJQSA-N 360.450 4.289 0 1 FIAF biogenic COc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(-c3ccccc3)ccc1O2 95580361 GOFHXNZNUWXPRS-JOCHJYFZSA-N 358.397 4.056 0 1 FIAF COCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 96938377 DVTOQMKFJZNXIT-UHFFFAOYSA-N 350.462 4.457 0 1 FIAF COc1cc(Cl)ccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1 103237057 LRRFGDGRJAEVSV-UHFFFAOYSA-N 369.852 4.359 0 1 FIAF O=C1CCc2cc(-n3cnnc3)ccc2N1Cc1c(Cl)cccc1Cl 103245485 PYYZWOGPOZATHC-UHFFFAOYSA-N 373.243 4.054 0 1 FIAF CC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)O)CC[C@@]32O)C1 118935090 ZDWIKYATNSEKOF-TXUQCRHHSA-N 362.554 4.346 0 1 FIAF COc1ccc(C2=NN(C3CCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1Cl 146987630 HZXQJGPDTRZCNX-CVEARBPZSA-N 358.869 4.420 0 1 FIAF O=C(NC1CCCCC1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 147828175 IUJVAIZPZKRVSD-UHFFFAOYSA-N 359.433 4.169 0 1 FIAF COc1ccc2c3ccnc(C)c3n(CCCNC(=O)OC(C)(C)C)c2c1 199605231 GBFBQJYCXPSPIA-UHFFFAOYSA-N 369.465 4.421 0 1 FIAF Cc1noc(C)c1-c1cc(N2C(=O)CC[C@H]2C)c2nc(C3CC3)[nH]c2c1 219426382 BPVVDSOJWDYUJO-SNVBAGLBSA-N 350.422 4.227 0 1 FIAF COc1cc([C@@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)cc(OC)c1OC 257508968 OZZUFLDUPKLHBA-RRMDADRESA-N 370.445 4.401 0 1 FIAF C/C=C/COc1cc(/C=C/C(=O)O)ccc1OC(=O)CCc1ccccc1 299829932 VXAOCHHINQGCJH-XEUDAOTRSA-N 366.413 4.278 0 1 FIAF CC(=O)N[C@@H](Cc1nc2ccc(C)cc2[nH]1)c1ccc(Br)cc1 586984758 ITCYOLGMPZCVGQ-INIZCTEOSA-N 372.266 4.054 0 1 FIAF COc1ccc2nc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)sc2c1 587035911 WZJIPXNIKJDIOV-UHFFFAOYSA-N 365.393 4.173 0 1 FIAF CNc1c(F)cccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587135769 NXUJGHHQADXZIT-UHFFFAOYSA-N 355.598 4.222 0 1 FIAF COc1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 587198706 QRRXUPCFWGFPBD-UHFFFAOYSA-N 372.428 4.097 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCCN(C(=O)OC(C)(C)C)CCC1)O2 587396470 SPAIGQZOPSYZHK-UHFFFAOYSA-N 374.481 4.092 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc([C@@H]4CCCCO4)s1)[C@@H](C2)C3=O 587449715 GPZUXKCICSXRTB-YRVVQQKDSA-N 356.443 4.487 0 1 FIAF Cc1c[nH]c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 587588171 JXUYQJKLIJXFRY-WIYYLYMNSA-N 372.380 4.280 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(O)cc1 587609688 OYDYGHWOWYNLNP-AZUAARDMSA-N 362.381 4.061 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN=O)(c2ccccc2)N1 587741511 NXSHHSMQXQWBRA-APPDUMDISA-N 363.230 4.132 0 1 FIAF COc1ccc(C=O)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587787292 MYLMGIYSYXBHLC-UHFFFAOYSA-N 367.149 4.092 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]2[C@@H]5C[C@H]41 587825429 DEWOBBCKNPFVQW-YJTHPZHWSA-N 374.297 4.096 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@]3(C)c3ccccc3OC)nc2c1 587931087 QSXWFAAOYSSPRY-RBZFPXEDSA-N 370.836 4.457 0 1 FIAF COc1cccc(NC(=O)Nc2cncc3nc(-c4ccccc4)cnc23)c1 653744944 HDJKZMBKHFPSSU-UHFFFAOYSA-N 371.400 4.344 0 1 FIAF CN1C(=O)C[C@@H]2CNC3(c4ccsc4-c4sccc43)c3cccc1c32 963034297 RFGTWBYYXBBRJW-LLVKDONJSA-N 364.495 4.135 0 1 FIAF C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@H](C)[C@]2(NCCc3ccc(O)cc32)[C@H]1C 963351372 GUIWYCLFQFQVRL-YYVLHXKZSA-N 364.533 4.298 0 1 FIAF CC1(C)CN[C@@H](c2cccn2-c2ccc(F)cc2)c2cc3c(cc21)OCO3 963391609 VOZFRCVOSJKGJE-OAQYLSRUSA-N 364.420 4.315 0 1 FIAF CCCNc1nc(NCCc2ccc(OC)c(OC)c2)c2ccccc2n1 1772647972 POBOHPBOMIXXMU-UHFFFAOYSA-N 366.465 4.124 0 1 FIAF COc1cc2c(cc1OC)C(=O)C[C@@H](c1cccc(CN3CCCC3)c1)O2 1857657055 VOBDWWMRAWTVTL-IBGZPJMESA-N 367.445 4.006 0 1 FIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(O[C@H](C)C(=O)O)cc1 12358169 ZBKLXHAHCJHQOK-OAHLLOKOSA-N 367.401 4.123 0 1 FIAF CCN(CC)CCC[C@@H](C)Nc1nc2cc(OC)ccc2n2cccc12 26157844 NMUNBENHFIVXAJ-MRXNPFEDSA-N 354.498 4.419 0 1 FIAF CNCc1cc(C(=O)N(C)C)ccc1Oc1ccc(Cl)cc1Cl 29129576 RFJRYJRDVNGNCX-UHFFFAOYSA-N 353.249 4.207 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C/C=C\CCCC(=O)O 29322017 IWSCITFBDCQRGG-FATVCXQPSA-N 350.499 4.479 0 1 FIAF O[C@@H](COc1cncc(/C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 84596739 WYLVFMBGPRCDQF-KKHYBRAUSA-N 371.440 4.111 0 1 FIAF COc1ccc(Oc2cccc(Cc3ncc[nH]3)c2)c(Cc2ncc[nH]2)c1 85996404 GTJSRUGILPIENS-UHFFFAOYSA-N 360.417 4.115 0 1 FIAF endogenous,in-man CC(C)C[C@@H]1C[N+]2=C(NC[C@@H]2C2CCCCC2)N1CC1CCC(C)CC1 141605823 YUFCTXRFOLKQOF-SLMMIHQXSA-O 360.610 4.464 0 1 FIAF COCCCOc1cccc([C@H]2NC(=S)Nc3c2oc2ccccc32)c1 299826616 QWHBACLOOIUCGE-QGZVFWFLSA-N 368.458 4.238 0 1 FIAF Oc1nc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cs1 587017741 OQVISNSYQCWWEJ-UHFFFAOYSA-N 364.146 4.173 0 1 FIAF CNc1cc(Cl)ccc1-c1nc2cc(Br)c(C)nc2[nH]1 587067072 MFRRNNYJRKFUGZ-UHFFFAOYSA-N 351.635 4.391 0 1 FIAF CCOC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587374097 GIULLVCZXRYEMO-QGZVFWFLSA-N 359.809 4.114 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1N[C@@H]1c1ccccc1)O2 587401533 SCHZSQFEEHBOAL-NHTMILBNSA-N 370.452 4.151 0 1 FIAF COc1cc2c3c(c1)O[C@]1(C[C@H](Oc4ccccc4)C1(C)C)[C@@H](C2)C3=O 587442347 LIYDHEOVDNVSEN-SGXKBVARSA-N 350.414 4.059 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c1ccc(Cl)c2C 587462215 NSKWGBXINYTAED-FQEVSTJZSA-N 371.820 4.119 0 1 FIAF O=C1C[C@H](c2cc(F)cc3c2OCOC3)Oc2c1ccc1c2CCCC1 587502412 CEODTRYTTPIVSF-LJQANCHMSA-N 354.377 4.278 0 1 FIAF CC(C)c1nn(C)c(N(C)C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516817 WUULDMIPWCTXAI-SFHVURJKSA-N 367.493 4.195 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1F 587568858 OGWLAZDJVMJJKN-JXFKEZNVSA-N 354.308 4.373 0 1 FIAF CCCCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587582080 NUJXKXQFWSAOMG-RXVVDRJESA-N 364.401 4.092 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N2CCCCC2)N1 587764352 DTMFOUUUMMMUAZ-SJKOYZFVSA-N 369.322 4.428 0 1 FIAF CCCC[C@H](CO)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587827476 PNCNMXRSXJLPPJ-CJBNDPTMSA-N 358.295 4.136 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(O)cccc32)N1 587835201 VOLPYUWTBMXKII-YPMLDQLKSA-N 362.242 4.018 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccco2)on1 587871136 BGXKFHKOYDXRAA-UHFFFAOYSA-N 367.336 4.024 0 1 FIAF Cc1c(F)ccc2c1[C@](C[C@@H](C)C(=O)O)(c1ccc(Cl)cc1)NCC2 962095841 XSPUBMXUIVMQPB-ODXCJYRJSA-N 361.844 4.288 0 1 FIAF CO[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1 1772611292 OJRCKSUZTZTYGK-WKILWMFISA-N 356.857 4.419 0 1 FIAF CCOc1ccc2c(C)cc(=O)oc2c1COC(=O)c1ccc(C)cc1 1857572314 JVFGNYQSLGCHRV-UHFFFAOYSA-N 352.386 4.166 0 1 FIAF CC=Cc1cc(OC)cc(O[C@@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)c1 2356704085 HEOFBSZBJUOVBA-LHSJRXKWSA-N 358.434 4.246 0 1 FIAF Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)NC(=S)N2 6521041 UTBAEDFYZKEFOP-INIZCTEOSA-N 354.866 4.224 0 1 FIAF C[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(C)c1cccc(C(N)=O)c1 13587988 ZNBUYPLGEXQQGG-QMHKHESXSA-N 362.473 4.331 0 1 FIAF O=C(O)CCCCCCCn1nc(-c2ccccc2)c2ccccc2c1=O 13727597 VERBVFSPLCFIIE-UHFFFAOYSA-N 364.445 4.489 0 1 FIAF COc1ccc(C(=O)c2cn(C[C@@H]3CCCCN3C)c3ccccc23)cc1 13781964 VFWLFYIKEQOJRN-SFHVURJKSA-N 362.473 4.365 0 1 FIAF Cc1cccc(C)c1OC[C@@H](O)CNC(C)(C)Cc1c[nH]c2ccccc12 26735227 PMBXPZBNZOSNCS-IBGZPJMESA-N 366.505 4.135 0 1 FIAF CCc1cccc(CC)c1N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 26829779 TUIQPUXBVZBEHM-UHFFFAOYSA-N 351.299 4.168 0 1 FIAF C[C@@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=S)OC[C@@]4(C)[C@@H]3CC[C@@]12C 27897695 JIAXPKPFEUBJEA-PQXGNSMKSA-N 365.583 4.089 0 1 FIAF C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CCc1cc3[nH]c4ccccc4c3cc12 31164952 XUTJPVCJXVRRLB-SKWRMQMOSA-N 363.457 4.387 0 1 FIAF biogenic,in-vitro C[C@H](CCc1ccccc1)NC[C@@H](O)c1ccc2c3c(cccc13)C(=O)N2C 45186551 FZTRHZDEGJYIIM-OPAMFIHVSA-N 374.484 4.074 0 1 FIAF COc1ccc(OC)c(Cc2nccc3cc(OC)c(OCCF)cc23)c1 72106814 VPZMYRJQSYPGEQ-UHFFFAOYSA-N 371.408 4.200 0 1 FIAF Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1 96175630 FNLIOTQQBGWBIR-UHFFFAOYSA-N 374.322 4.243 0 1 FIAF O=C(Nc1cc(Cl)ccn1)c1cc(Cl)cc(Oc2cncnc2)c1 96938956 QOQYGHCQDHENOU-UHFFFAOYSA-N 361.188 4.223 0 1 FIAF CCCN1N=C2/C(=C/c3ccccc3)C[S@](=O)C[C@@H]2[C@@H]1c1ccccc1 169305595 WHBHZFWSLGEPFN-CTMMYBPDSA-N 364.514 4.271 0 1 FIAF OCC12CCC(c3nc4cc(Br)cc(F)c4[nH]3)(CC1)CC2 586895451 HTJUJLJXJZCCOH-UHFFFAOYSA-N 353.235 4.049 0 1 FIAF Oc1cccc(CCCCc2nc3c(F)cnc(Br)c3[nH]2)c1 586896235 MOBYALGXHYNKPT-UHFFFAOYSA-N 364.218 4.131 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)ncc2[nH]1 586962457 FDFOJHHCHPZNHP-SNVBAGLBSA-N 369.372 4.024 0 1 FIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccccc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587240471 UDNKUJOXOGTYPB-QTPGKHNVSA-N 371.481 4.118 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(C(=O)O)ccn3)cc1)O2 587394681 YQOPEHWSMPUBBY-HXUWFJFHSA-N 374.396 4.044 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3oc(C(=O)O)c(C)c31)O2 587407077 AAJDGRZAGDPLTA-OAQYLSRUSA-N 369.417 4.010 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]nc(C(F)(F)F)c1C)CC2=O 587464420 PVUMDEDABISXDZ-CYBMUJFWSA-N 354.328 4.102 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CN(C)C)c1)CC2=O 587468202 ITMVSTOTZZJCBA-OAQYLSRUSA-N 369.461 4.121 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)O)[nH]c3ccccc13)CC2=O 587483492 MNKXVUUHKLXZQY-KRWDZBQOSA-N 365.385 4.231 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CF)(c2ccccc2)N1 587712967 BTSALKCWWCJBIO-APPDUMDISA-N 352.222 4.336 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3scnc32)N1 587859576 XIPKXYHWMOCZEZ-ABKXIKBNSA-N 367.287 4.159 0 1 FIAF c1ccc(-c2cccc3c2[C@H](c2nccnc2-c2cccnc2)NCC3)cc1 962664994 JDYAHLCRKODAJL-HSZRJFAPSA-N 364.452 4.441 0 1 FIAF Fc1cc(Br)cnc1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963104453 UKCZHCCFHIIHTF-YVEFUNNKSA-N 365.221 4.232 0 1 FIAF Clc1ccc(NC2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772617845 VTTAHOGLSIALQG-UHFFFAOYSA-N 366.856 4.397 0 1 FIAF CC(C)(C)c1ccc(OCCCCN2CCN(c3ccncc3)CC2)cc1 1857635514 QKLFQQNBDBBTHX-UHFFFAOYSA-N 367.537 4.360 0 1 FIAF Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(NCCN)n1 1857650491 SYTOAGNXFJIPIE-UHFFFAOYSA-N 367.522 4.244 0 1 FIAF CCCCCC=CC[C@H](O)[C@@H](C=C[C@H]1CC=CCCCC(=O)O1)OC 2356378528 NGVOPKDYDKTASH-HSALFYBXSA-N 350.499 4.487 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O[C@H](CC(C)=O)[C@@H]3C(C)(C)CCC[C@@]32C)O1 2356635793 LBNHFUDEOMZNBR-ZIKUCTJESA-N 366.498 4.025 0 1 FIAF CC(=O)c1c(O)c(C(C)C)cc2c(c1=O)C[C@]1(O)CCCC(C)(C)[C@H]1CC2 2356688540 CZCNOWAZNPUCJO-WZONZLPQSA-N 372.505 4.125 0 1 FIAF CCOC(=O)C1=C(C)[C@H](c2cccc(Oc3ccccc3)c2)NC(S)=N1 8855136 DCPJOTJWFRACTE-QGZVFWFLSA-N 368.458 4.246 0 3 FIAF COc1cccc([C@H](NC(C)=O)c2nc(-c3cccc(F)c3)cs2)c1 61929294 CMBDPDYLIBBMJO-SFHVURJKSA-N 356.422 4.183 0 3 FIAF CC(C)n1cc2c3c(cccc31)C1=C[C@@H](COC(=O)C3CC3)CN(C)[C@@H]1C2 13793926 WXABDZRMHNFZHE-QVKFZJNVSA-N 364.489 4.045 0 1 FIAF CCCCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCCC(=O)NCCO 27202222 SRDAATFQYBQFIF-AHMTVRDPSA-N 363.542 4.211 0 1 FIAF Cc1ccccc1N1CCN(Cc2ccccc2[C@H](O)c2ccccc2)CC1 27422916 VAYSMURKORGEQD-RUZDIDTESA-N 372.512 4.399 0 1 FIAF COc1ccc([C@]2(Cn3ccnc3)OC[C@@H](c3ccc(Cl)cc3)O2)cc1 28767721 DIHFXLARMUCKOT-VQTJNVASSA-N 370.836 4.186 0 1 FIAF CC1(C)C[C@@H](OC(=O)c2ccccc2)c2c(ccc3ccc(=O)oc23)O1 39029047 BYZRNQLMNVMJKG-MRXNPFEDSA-N 350.370 4.252 0 1 FIAF CCCC(=O)NCc1nc(-c2nc(C)cs2)c(-c2ccc(F)cc2)[nH]1 73313167 ITRKZOSFLVIKGP-UHFFFAOYSA-N 358.442 4.064 0 1 FIAF COc1cc(OC)c(/C=C/SCc2ccc(OC)c(N)c2)c(OC)c1 84597146 LWWZAJVFZHPISM-BQYQJAHWSA-N 361.463 4.207 0 1 FIAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccccc3C)C2)cc1C 95574359 USKWMNFMQYXZEE-IBGZPJMESA-N 363.486 4.392 0 1 FIAF CCN1CCC[C@@H]1CNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 96286365 MIVPAVKZLOYJFK-HXUWFJFHSA-N 371.488 4.446 0 1 FIAF O=C(Nc1nccs1)[C@@H]1C(=O)N2c3ccccc3Sc3cccc1c32 100658584 RREYBNOETXPZQE-CQSZACIVSA-N 365.439 4.008 0 1 FIAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 586907387 LQRPWMFQIJDKAZ-QMMMGPOBSA-N 363.186 4.045 0 1 FIAF O=S(=O)(/C=C/c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccccc1 586924617 SDDRSZIQWCCVQZ-VOTSOKGWSA-N 370.327 4.165 0 1 FIAF Cc1cc(Br)ccc1-n1cccc1-c1nc2nccc(N)c2[nH]1 586981848 VGUXSFKLQCKFPS-UHFFFAOYSA-N 368.238 4.069 0 1 FIAF N[C@@H](N=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587033702 ZUWMOLIDWHRGKK-KRWDZBQOSA-N 363.446 4.295 0 1 FIAF COc1cc(-c2nc3ccc(C(=N)N)cc3[nH]2)cc(Cl)c1OCC(C)C 587046257 OGEWYXSJZCGNDK-UHFFFAOYSA-N 372.856 4.211 0 1 FIAF O=C1CCc2cc3nc(-c4ccc(Br)cc4F)[nH]c3cc2N1 587142526 DHNLDCPQCMQMJH-UHFFFAOYSA-N 360.186 4.016 0 1 FIAF Cc1nc2[nH]c(/C=C/c3ccc(F)cc3F)nc2cc1Br 587148370 INNZGONORYQIHV-HWKANZROSA-N 350.166 4.477 0 1 FIAF Fc1cccc([C@@H]2C[C@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1 587161877 SFQBSWJNWFDUKG-VHSXEESVSA-N 350.166 4.270 0 1 FIAF Cc1cc2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c(C)n1 587167010 DRHWDEVTEPSUPG-INIZCTEOSA-N 353.401 4.083 0 1 FIAF CC(C)CC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353070 KZGIRYASIUREIY-FPOVZHCZSA-N 356.393 4.264 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccsc1)(c1ccsc1)O2 587415175 YBYRCVCPVVJTCT-IBGZPJMESA-N 369.467 4.444 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](CCc1cccc(OC)c1F)CC2=O 587466812 OGUZLJJAEGHXIK-CQSZACIVSA-N 358.409 4.459 0 1 FIAF O=C(NC1CC1)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc(F)c12 587633298 YNUAMIIOSUSBRH-UHFFFAOYSA-N 356.784 4.089 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2Cl)N1 587698979 QYDLTEVZLLXXJD-XLKFXECMSA-N 355.638 4.260 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2F)N1 587725124 NTGOBSBATWVBFN-XYZCENFISA-N 368.221 4.231 0 1 FIAF CC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587847631 LUXPKDIEJCVPDU-PWJLMRLQSA-N 368.271 4.476 0 1 FIAF COc1ccc(C[C@@H](C)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1OC 587927828 XYZSDNNFHQVMHJ-SNVBAGLBSA-N 365.355 4.340 0 1 FIAF COc1cc2c(cc1OC)[C@]1(CCC[C@H]([C@H]3CCOC3)C1)N(C)[C@@H](C)C2 962623417 IKFBJWMOWUYYBF-ACTFIFLWSA-N 359.510 4.002 0 1 FIAF CC(=O)[C@@H]1CCC[C@]12c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962626469 GYOBGULUEXMQBF-AOHZBQACSA-N 360.501 4.018 0 1 FIAF Cc1ccc2c(c1)c(=O)n(-c1ccccc1)c1nnc(-c3ccccc3)n21 1857556887 PXTVOZGGBZETSG-UHFFFAOYSA-N 352.397 4.009 0 1 FIAF O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(O)cc1 1857564480 GACYFVHJTJAISZ-UHFFFAOYSA-N 366.398 4.001 0 1 FIAF COc1ccc(NC(=O)[C@H]2CCN(c3ncccc3C)C[C@H]2C)cc1Cl 1857602215 KITLBRBMPPLJCD-ZBFHGGJFSA-N 373.884 4.153 0 1 FIAF Fc1ccc(N=c2[nH]c(=NCC3CCC3)c3ccccc3[nH]2)cc1Cl 1857768067 ZEXYCQUMXINFHZ-UHFFFAOYSA-N 356.832 4.222 0 1 FIAF COc1cc(C=CC(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1OC(C)=O 2356598561 UIVHJYHPRMTGAO-GTCCEBARSA-N 372.461 4.392 0 1 FIAF CCC[C@@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1cccnc1 3960746 SXLALDHKZVXSQE-MRXNPFEDSA-N 350.422 4.206 0 1 FIAF O=C(Nc1nccs1)c1cnc2c(SC(F)(F)F)cccc2c1O 29246579 IQXXUFRPMHAJBM-UHFFFAOYSA-N 371.365 4.261 0 1 FIAF CC(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 35259155 NGWMXPZOCKINOT-UHFFFAOYSA-N 368.481 4.061 0 1 FIAF COc1ccc(OC(=O)[C@H]2[C@@H]3CC[C@H](C[C@H]2c2ccc(C)cc2)N3C)cc1 36271765 IUPUVKOJONOTAC-KDXIVRHGSA-N 365.473 4.176 0 1 FIAF c1cc(Nc2ccc3c(c2)OCO3)nc(Nc2ccc3ncsc3c2)n1 64532269 BETGFSZBYXZNBI-UHFFFAOYSA-N 363.402 4.302 0 1 FIAF CC(C)[C@@H](c1ccc2cc(OCC(F)(F)F)ccc2c1)n1ncnn1 72315632 AIOINVRWUCXVAK-INIZCTEOSA-N 350.344 4.013 0 1 FIAF COc1cccc(CNc2cc(Oc3ccc(F)cc3)ncn2)c1OC 82067647 QWMUMIXNEJCIQR-UHFFFAOYSA-N 355.369 4.037 0 1 FIAF CCCCOCCCNC(=O)c1csc(-c2ccccc2OCC)n1 82074811 HCWXSKHBBJLEOP-UHFFFAOYSA-N 362.495 4.145 0 1 FIAF O=C(Nc1ccccc1)NC1C[C@@H]2CCC[C@@H](C1)N2CCc1ccccc1 100948945 AIIPUPRHGYIPLW-VXKWHMMOSA-N 363.505 4.436 0 1 FIAF COc1ccc(OC)c([C@@H]2CC(c3cccnc3)=NN2c2ccccc2)c1 103201308 MKCILWCEVVEMTD-NRFANRHFSA-N 359.429 4.455 0 1 FIAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@]1(COC(=O)O1)C3 238734671 WIYJSBIUVLCAHT-SXVZKGOTSA-N 362.466 4.390 0 1 FIAF NC(=O)[C@@H]1C[C@@H](c2ccccc2)Cc2c(-c3ccc(Cl)cc3)n[nH]c21 299866169 OOSHFYSJCPAETC-WMLDXEAASA-N 351.837 4.029 0 1 FIAF Clc1c(Br)cnc2[nH]c(-c3csc4c3CCOC4)nc12 587032416 UPXQMQJUYKYDIU-UHFFFAOYSA-N 370.659 4.175 0 1 FIAF COc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Cl 587112249 FBBLEERETWVBRA-LBPRGKRZSA-N 369.774 4.486 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c1 587242832 ULSRDAHWGHSHBS-UHFFFAOYSA-N 372.266 4.491 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C(C)(C)C1)O2 587392652 UUJAJCCMOMKFJC-OAQYLSRUSA-N 374.481 4.091 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c4ccnc-4[nH]cc1C(F)(F)F)[C@@H](C2)C3=O 587422571 OVMSUCBECHYJEI-APPDUMDISA-N 374.318 4.031 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1c(C)oc4ccc(O)cc14)[C@@H](C2)C3=O 587455133 JPLGJVYXJJAAJM-BTYIYWSLSA-N 350.370 4.118 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)o1)CC2=O 587457725 BRPYHUGCVNVKJZ-AWEZNQCLSA-N 351.196 4.407 0 1 FIAF O=C1CC2(CCN(Cc3ccco3)CC2)Oc2c1ccc1c2CCCC1 587515594 VNAITJDGLGLZTO-UHFFFAOYSA-N 351.446 4.158 0 1 FIAF Nc1c(Cl)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549227 YUTDTNVAAKADNQ-OXQOHEQNSA-N 367.788 4.331 0 1 FIAF CCC(C)(C)c1ccc(OCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587565368 DMQIVWYBRJPYAR-UHFFFAOYSA-N 365.433 4.160 0 1 FIAF Cc1c(CC(=O)c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587636974 RECYDMTXXGHXOY-UHFFFAOYSA-N 372.218 4.362 0 1 FIAF COc1cc(-c2nc3cc(C)c(Br)cc3[nH]2)cc(OC)c1O 587787050 UJXKTLBYIPVMKV-UHFFFAOYSA-N 363.211 4.024 0 1 FIAF CC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587815579 NVHHKOXXUCICEB-MGNBDDOMSA-N 362.242 4.414 0 1 FIAF CCC[C@]1(CC(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587815943 RPFOBPVBLOMABZ-ADLMAVQZSA-N 368.290 4.487 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccsc1 587863606 DTGNYDDNOUSSKD-UHFFFAOYSA-N 352.337 4.328 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cncc(Br)c1 587869265 FVXUSVLNKTWYMH-UHFFFAOYSA-N 362.202 4.235 0 1 FIAF Nc1cccc(Br)c1-n1c(O)cc(-c2ccccc2F)c1O 587934855 JICPXCKWRDUYAW-UHFFFAOYSA-N 363.186 4.039 0 1 FIAF O=C(CCc1ccccc1)c1nc2ncc(Br)c(Cl)c2[nH]1 587953022 DAKXMNSXHRHJPG-UHFFFAOYSA-N 364.630 4.189 0 1 FIAF COc1cc(OC)c(OC)cc1/C=C/COC(=O)/C=C/c1ccccc1F 1857561144 LBMVPCYWEJRHJX-UMYLGFLZSA-N 372.392 4.121 0 1 FIAF O[C@H](COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12 1857624009 WYLVFMBGPRCDQF-FQEVSTJZSA-N 371.440 4.111 0 1 FIAF CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc2sccc2c1 61904724 DXMDOFXGSSXLCV-HXUWFJFHSA-N 358.507 4.202 0 3 FIAF Cn1nc(C(C)(C)C)cc1Nc1cc2c(cn1)nc(-c1ccco1)n2C 74388486 MFONPGARGXKBGJ-UHFFFAOYSA-N 350.426 4.003 0 3 FIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)OCC2 13761420 OCEYWZYUHMZFIR-IBGZPJMESA-N 351.490 4.225 0 1 FIAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@H](CC2CCCCC2)O3)S1 26971740 JHNHQBQYCNSPNN-SJLPKXTDSA-N 359.491 4.245 0 1 FIAF Nc1ccc2cccc(OCCCNc3ccc4c(c3)OC(F)(F)O4)c2n1 28385790 KMCDLJPYRDRLMN-UHFFFAOYSA-N 373.359 4.020 0 1 FIAF CC(C)c1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)n1 43069580 KLKCPIJDMUXRSE-UHFFFAOYSA-N 370.449 4.477 0 1 FIAF COc1ccc(Cn2nc(C)cc2OC(=O)c2c(F)ccc(C)c2F)cc1 45287622 UINJFWAGNZCLIK-UHFFFAOYSA-N 372.371 4.054 0 1 FIAF COc1cc(C(=O)c2oc3c(OC)cccc3c2C)cc(OC)c1OC 45387208 CQIHENWNSNEBEP-UHFFFAOYSA-N 356.374 4.007 0 1 FIAF CCOc1nc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C 49525774 SXWMDGBWAMZSGN-GFCCVEGCSA-N 362.861 4.022 0 1 FIAF C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(Cl)cc1F 71316141 HUDWYYYFRVUKIA-DZGCQCFKSA-N 372.875 4.386 0 1 FIAF CC[C@@H](C)NC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccccc1 82133235 RCXLWXGWHAEBQV-CQSZACIVSA-N 364.449 4.185 0 1 FIAF CC1CCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)CC1 82133299 LGPIVWMMBGBFSH-UHFFFAOYSA-N 364.493 4.006 0 1 FIAF O=C(Nc1ccccc1)c1c(N2CCCC2)cc(-c2ccccc2)oc1=O 84671693 LGVNWEJLDCNVKD-UHFFFAOYSA-N 360.413 4.159 0 1 FIAF COc1ccc(-c2nn3c(NCc4cccnc4)cc(C)nc3c2C)cc1 95562880 POMKRBYIZQCLPQ-UHFFFAOYSA-N 359.433 4.029 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1ccc(Cl)cc1Cl 96901785 MXBUGAZMIAKHDO-NWCRWOLESA-N 370.232 4.415 0 1 FIAF Fc1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccccc5)C[C@@H]3N4)cc2)cc1 100106080 ABCSXOCXFCHOCM-BKFWDETESA-N 358.460 4.433 0 1 FIAF Cc1nc(SCC(=O)c2ccc(Cl)cc2)nc(O)c1CC(C)C 102679087 SXSXJHRAMUTXIZ-UHFFFAOYSA-N 350.871 4.318 0 1 FIAF CCCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCC[C@H]3[C@@H]2C1=O 102919317 GGXWBZNRHZUBAJ-QZCPTFHJSA-N 350.462 4.324 0 1 FIAF COc1cc2c(c(OC)c1C(=O)CC(=O)c1ccccc1)C=CC(C)(C)O2 103566887 IJIURKRYKYHLPH-UHFFFAOYSA-N 366.413 4.344 0 1 FIAF biogenic,in-vitro OCC(CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 231936001 GJFCEMOCWVYDKT-COMHFDOOSA-N 364.570 4.405 0 1 FIAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 253706388 RQTWPNKOATVIPT-HHRMTGIUSA-N 352.261 4.033 0 1 FIAF COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 299839574 YUGFJKZNDFXBRF-UHFFFAOYSA-N 374.444 4.324 0 1 FIAF Nc1ccc(F)c(Cc2nc3cc(Cl)cc(Br)c3[nH]2)c1 587140881 HSFWKACBIDBHCR-UHFFFAOYSA-N 354.610 4.291 0 1 FIAF Oc1nccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587151856 UZUWJAXMWYRGOV-KRWDZBQOSA-N 353.328 4.110 0 1 FIAF Nc1c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cnc2c(F)cccc12 587176217 HVTMUZZOWATMSF-UHFFFAOYSA-N 362.286 4.398 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)c(Cl)cc(Cl)c1O)O2 587375801 PFHIGYHAYZCHDU-LBPRGKRZSA-N 354.189 4.002 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1ccccc1F)[C@@H](C2)C3=O 587425500 DLQISLAQECDONH-KSFYIVLOSA-N 363.388 4.173 0 1 FIAF CCCc1c(O)ccc2c1OC1(CC2=O)c2ncccc2-c2cccnc21 587490057 OIAKFJHISCDZLN-UHFFFAOYSA-N 358.397 4.024 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc3c(c1)OCCO3)CC2=O 587492576 RGDQVXUALDPNOV-JOCHJYFZSA-N 368.429 4.387 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Cl)s1 587618580 OTCFMFUSAQPOOH-XJKSGUPXSA-N 359.790 4.205 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccn2)N1 587700121 LTBFUYGNZNUEEE-JDNHERCYSA-N 369.665 4.434 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)cc(F)cc2F)N1 587720152 MSDFGFGLCXPKIQ-QZTNRIJFSA-N 371.200 4.072 0 1 FIAF CCN(CC)CCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587739198 GNLNXILLOFDNMD-ACJLOTCBSA-N 371.338 4.460 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(C2CC2)N1 587773716 RMWAJPOLHATWPJ-ADLMAVQZSA-N 361.258 4.171 0 1 FIAF COC1(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 587806889 BKXTZDPGWVCDCS-BDJLRTHQSA-N 356.279 4.297 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(F)cn1 587855147 JZMYPYBMCHRLEW-UHFFFAOYSA-N 353.184 4.174 0 1 FIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(Br)ccnc2[nH]1 587931871 UJENDVGGCFQACU-DIFFPNOSSA-N 358.239 4.174 0 1 FIAF Brc1c[nH]c2nc(Cc3cccc(-c4ccccc4)c3)nc-2n1 587961631 MJYGQCWHRQMSIF-UHFFFAOYSA-N 365.234 4.325 0 1 FIAF COc1ccc2c(c1OC)[C@](C)(c1cccc3c1NCCC3)N(C)[C@@H](C)C2 962632649 RSWJUKMNXGSLPH-WNSKOXEYSA-N 366.505 4.202 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(OC)cc(C(=O)OC)c1 963226883 IFJNVONOQLGIOD-BTYIYWSLSA-N 353.462 4.228 0 1 FIAF Cc1ccc2c3c1N(CC31CC1)[C@]21CCN(C(=O)OC(C)(C)C)C1(C)C 963727986 FHLLOEFZMSZSCB-JOCHJYFZSA-N 354.494 4.475 0 1 FIAF CCCCCn1cc(-c2cc[nH]c(=N)n2)c2cc(Br)ccc21 1857538645 VJHUBZRRVIBQMF-UHFFFAOYSA-N 359.271 4.464 0 1 FIAF Clc1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1Cl 1857541807 GDWGKXWHTRSAQZ-SFHVURJKSA-N 351.277 4.380 0 1 FIAF O[C@]1(Cc2ccc(Cl)cc2)c2c(Cl)ccc(Cl)c2C2=NCCN21 1857560718 PSTXKSIRECGRKE-QGZVFWFLSA-N 367.663 4.110 0 1 FIAF C[C@H](NC(=O)N1C(=O)C[C@@H]1Sc1ccc(F)cc1F)c1ccccc1 1857604930 OKCBIQMGUWDPNS-GTNSWQLSSA-N 362.401 4.086 0 1 FIAF CC=Cc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(O)c(OC)c1)[C@H](C)O2 2356545866 QLUCOUQWVFZTNA-YUNKPMOVSA-N 372.417 4.352 0 1 FIAF CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@H]2[C@@](O)(C(C)C)CC[C@@]2(C)CC1 2356679730 DVPFKQLUSCPERE-PSBKLILYSA-N 358.478 4.461 0 1 FIAF CCN(CC)Cc1ccc2nc3c(nc2c1)N1CCc2ccccc2[C@H]1CN3 2382226212 SRVCWSQWAMPVQN-OAQYLSRUSA-N 373.504 4.001 0 1 FIAF Cc1ccccc1CN1CCC[C@@H](C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1 12317900 PJXOUQLXCOFMLY-HXUWFJFHSA-N 374.488 4.236 0 3 FIAF Nc1nc(N)c2cc(CNc3ccc(Cl)c(C(F)(F)F)c3)ccc2n1 13283590 MWQJOMLECONZOL-UHFFFAOYSA-N 367.762 4.079 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)[C@H]5COC[C@]43C5)[C@@H]1CC[C@@H]2OC1CC1 25963840 NXHVROPEBMRJEZ-VQDHUFEGSA-N 358.522 4.094 0 1 FIAF O=C(/C=C/c1cccc(OC(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 28863802 DULJBXZBEQWHJA-QPJJXVBHSA-N 365.307 4.008 0 1 FIAF C[C@H]1c2c[nH]nc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 43176054 LAOBPIQWYIFGDO-NSHDSACASA-N 359.838 4.000 0 1 FIAF O=C1CCCCC[C@@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 103205839 HHXYXPARZDOJIF-ZDUSSCGKSA-N 369.792 4.002 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC[C@@H]2n1ccnc1 169255038 AUQHJQCNHSIVMH-BLQWBTBKSA-N 353.510 4.113 0 1 FIAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2[nH]c3cnccc3c2c1 473123225 LGEYYEMBMSKRCQ-UHFFFAOYSA-N 357.822 4.170 0 1 FIAF CCOc1cc(/C=C\c2nc3cnccc3[nH]2)cc(Br)c1OC 586978337 OVYZPRNSVUCWBE-PLNGDYQASA-N 374.238 4.298 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 587081780 FVQJVPWVXQDATM-UHFFFAOYSA-N 374.231 4.473 0 1 FIAF Cc1c(Br)ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 587087082 AUAAFHBDPIFAGL-SECBINFHSA-N 356.214 4.384 0 1 FIAF CC[C@H](Oc1ccccc1F)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587156546 VDWNPLNSCBHHKS-AWEZNQCLSA-N 358.369 4.027 0 1 FIAF CNc1cccc(-c2cccc(-c3nc4cc(C(=O)OC)ncc4[nH]3)c2)c1 587233935 XFTYFWIBCXENIE-UHFFFAOYSA-N 358.401 4.120 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1NC(=O)OC(C)(C)C)O2 587388308 ABAQJRPISXYLSB-MRXNPFEDSA-N 369.421 4.026 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(Cl)cc1O)[C@@H](C2)C3=O 587418916 BYIJQZYDWGEZCA-DYZYQPBXSA-N 351.185 4.196 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc4cccnc14)[C@@H](C2)C3=O 587419460 FGFQXOQJBCWXEG-YWZLYKJASA-N 351.789 4.386 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)([C@H](C)O)CC2=O 587460814 IIQBTVHLMRXGES-YUNKPMOVSA-N 360.837 4.240 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(NC(C)=O)cc1C)CC2=O 587471911 WXDRZWILZWSFGP-HXUWFJFHSA-N 353.418 4.318 0 1 FIAF C[C@@H]1CN(Cc2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518080 ZYNUPVPQIKEIFD-MZNJEOGPSA-N 361.485 4.421 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(O)c1 587540939 CIPJJJZYUJEDJH-PXNSSMCTSA-N 368.772 4.454 0 1 FIAF CCCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587762013 CKWPGHOFTPRHRU-BTDLBPIBSA-N 366.278 4.127 0 1 FIAF CCCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587762015 CKWPGHOFTPRHRU-QGHHPUGFSA-N 366.278 4.127 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccccn23)N1 587771132 BOQXUCIAPFFNIU-ADLMAVQZSA-N 374.257 4.034 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncoc3c2)N1 587777855 DEVHHBFTUHSTEK-XLFHBGCDSA-N 361.214 4.353 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2C=O)N1 587816180 VAWTWAIHUIRBKO-BBATYDOGSA-N 362.242 4.198 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587951934 KCQNXNWTWRMYKB-CDXJDZJCSA-N 371.525 4.442 0 1 FIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](C2CC3(CC3)C2)N1 963184412 PGBXALBBURNZQO-KBPBESRZSA-N 359.775 4.189 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cccnc1-c1ccsc1 963636644 RKSPPUWNCBFDQO-LRTDBIEQSA-N 366.486 4.451 0 1 FIAF COc1cc2oc(-c3cccc(CN4CCCC4)c3)cc(=O)c2cc1OC 1857775402 OUNDSHGRRIEVRY-UHFFFAOYSA-N 365.429 4.073 0 1 FIAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 2356544216 IEAUFJOLHRNYMW-QFJIJFTOSA-N 364.526 4.015 0 1 FIAF CO[C@@H]1C=C(CCC[C@H](C)C=C[C@@H]2C(C)(C)CCC[C@]2(C)O)C(=O)O1 2356578119 GDBZCCRSKXSHMI-DKXUYOFUSA-N 350.499 4.382 0 1 FIAF CN1CC(COC(=O)C2CCCCC2)=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 13793995 WFKHEWMSZVVFAS-TZIWHRDSSA-N 364.489 4.172 0 1 FIAF CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](OC(=O)C(C)C)[C@]2(C)[C@@H]1C 15221038 MJFYXJSSTPWZDK-BNZQBYKSSA-N 360.450 4.289 0 1 FIAF biogenic Fc1ccc(-c2cccc(N3CCC(NC[C@@H]4CCCO4)CC3)c2)cc1 19836082 HQDXBWPPUNFIQI-QFIPXVFZSA-N 354.469 4.230 0 1 FIAF C[C@@H](Oc1ccc(Cl)c2ccccc12)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28111352 NGKJZFHEDSISDF-JZWPEALZSA-N 373.880 4.429 0 1 FIAF Oc1cccc(C[C@H](c2ccccc2)N2CCN(CC3CCC3)CC2)c1 29472398 LRKGUZSXGITGQZ-HSZRJFAPSA-N 350.506 4.094 0 1 FIAF CCCN(C=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 36189587 XHPVQFBYVYPXDZ-COHXAYOXSA-N 374.569 4.087 0 1 FIAF C=CC(=O)NC1=CC=C2N=CN=C(Nc3ccc(Oc4ccccc4)cc3)[C@H]21 49552074 WDHFTVGVBNGSLV-OAQYLSRUSA-N 370.412 4.031 0 1 FIAF Nc1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1 49803643 XUPKUWSYDMNZBK-UHFFFAOYSA-N 355.290 4.239 0 1 FIAF Cc1cc(C)cc(NC(=O)c2cccnc2SCc2cc[n+](C)cc2)c1 66077662 OWCYXAATKDFFPA-UHFFFAOYSA-O 364.494 4.068 0 1 FIAF C[C@H]1CN(Cc2cccn2-c2cccnc2)Cc2cc(Cl)ccc2O1 67820170 RZYZMYIBQGGOSD-HNNXBMFYSA-N 353.853 4.309 0 1 FIAF O=c1[nH]c(=S)[nH]c(Cc2ccccc2)c1Cc1c(O)ccc2ccccc12 72170928 XWPHZQMLVLYDJR-UHFFFAOYSA-N 374.465 4.473 0 1 FIAF COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2F)n1 82175122 NUFQJENAIHTIIF-UHFFFAOYSA-N 372.469 4.471 0 1 FIAF COc1ccccc1-n1c(COc2ccccc2)nnc1SC(C)C 95593113 ZVLHJMKBIFAUGC-UHFFFAOYSA-N 355.463 4.355 0 1 FIAF CCCCOc1cc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2n1 100643256 QGTCHNUWJMNKHC-HZPDHXFCSA-N 368.477 4.196 0 1 FIAF O=C(NO)c1ccc(Cn2cc(Cc3ccccc3)c3ccccc32)cc1 146307649 SMLYPIYZOIARGI-UHFFFAOYSA-N 356.425 4.399 0 1 FIAF CCOc1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1 169340330 QWWOBXJJZBGRKO-UHFFFAOYSA-N 352.419 4.100 0 1 FIAF Cc1cc(C(C)(C)NC(=O)c2cccc(-c3cccc(Cl)c3)n2)on1 207728094 ZTHXXASCXYVZDU-UHFFFAOYSA-N 355.825 4.364 0 1 FIAF CN1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 253641852 UOAOMCIHXQMCHQ-IAGOWNOFSA-N 355.309 4.011 0 1 FIAF Cc1cccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)c1 253684195 HAKGLNXMZVANHY-NBEIKUQISA-N 373.449 4.135 0 1 FIAF CN1CCC(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2Cl)CC1 473101764 KOLJLQASEDCYOG-UHFFFAOYSA-N 374.843 4.256 0 1 FIAF O=Cc1cc(Br)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 586983254 XOGGPLJBZFDVGA-UHFFFAOYSA-N 370.128 4.219 0 1 FIAF CCO[C@@H](C)c1nc(C)c(-c2nc3c(Br)ccnc3[nH]2)s1 587014524 MUBVNYWOVFFSLD-QMMMGPOBSA-N 367.272 4.250 0 1 FIAF Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 587080643 RUTCZNRHGLNHJR-LBPRGKRZSA-N 360.248 4.297 0 1 FIAF COC(=O)CC[C@@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106287 KQWKUBLKNWYUHQ-AWEZNQCLSA-N 373.408 4.072 0 1 FIAF O=C1CC=C(c2nc3cc4ccccc4cc3[nH]2)NN1Cc1ccc(F)cc1 587164716 VPYJEAHQJBFOTC-UHFFFAOYSA-N 372.403 4.133 0 1 FIAF Nc1ccc(-c2ccc3nc([C@H]4Cc5cc(F)ccc5O4)[nH]c3c2)cc1N 587174946 TVBYMXWRXJASDM-HXUWFJFHSA-N 360.392 4.210 0 1 FIAF CCOC(=O)C(Cl)(Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500467 WZCZMPWMZXKVPW-QGZVFWFLSA-N 371.260 4.026 0 1 FIAF O=C1C[C@H](c2cnc(-c3ccccn3)nc2)Oc2c1ccc1c2CCCC1 587513196 BDOZEQPCKIQNCN-HXUWFJFHSA-N 357.413 4.124 0 1 FIAF COc1ccccc1-n1nccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516246 BELNUSRUSUCKCL-QFIPXVFZSA-N 374.440 4.466 0 1 FIAF Cc1ccncc1CC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585734 HGVKXOFYIUOGHW-UYAOXDASSA-N 361.397 4.059 0 1 FIAF C[C@]1(c2cccc3ncoc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587199 MQMNXFSZCUBVNW-PGRDOPGGSA-N 373.364 4.410 0 1 FIAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CC(=O)O)cc1F 587629448 QNRSTKBOFIUFGH-UHFFFAOYSA-N 351.736 4.402 0 1 FIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccccc1Br 587636641 AOGJSWYQBRZJPO-UHFFFAOYSA-N 373.206 4.189 0 1 FIAF CCn1ncc(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587701401 XONYQZUCMVHZKK-CLAHSXSESA-N 372.669 4.082 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)C(F)F)N1 587708552 YWVNBGSHSLSFEK-PWCHPLFNSA-N 358.148 4.238 0 1 FIAF Cc1ccc2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 587776886 YVALUPKLVSPHRW-ADLMAVQZSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)s2)N1 587848935 QAWMEFWHXXWSGV-AYVTZFPOSA-N 354.244 4.086 0 1 FIAF COc1cc(O)cc(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)c1 587932106 MRGMSYTZNXFKFU-UHFFFAOYSA-N 372.384 4.193 0 1 FIAF COc1cc(OC)cc(-c2cn3c(-c4cccc(N(C)C)c4)cnc3cn2)c1 653750437 YNTLGYVZDRNJMV-UHFFFAOYSA-N 374.444 4.147 0 1 FIAF COc1ccc([C@@H]2CC(c3ccc(-n4cccc4)cc3)=NN2C(C)=O)cc1 653782746 NEIPAXFFLLIVMN-QFIPXVFZSA-N 359.429 4.184 0 1 FIAF Cc1cc2c(cc1F)[C@]1(CCC=C(NNc3ccc(F)cc3)C1)NCC2 962302558 UCNZIGQOYKZRGD-OAQYLSRUSA-N 355.432 4.299 0 1 FIAF CCOC(=O)c1cc(-c2oc3ccc(Br)cc3c2C)no1 1857535462 QLTFBFVSJDMZPK-UHFFFAOYSA-N 350.168 4.335 0 1 FIAF CCCCCCOc1cc(Cl)cc2[nH]c(C(=O)O)c(CCC(=O)O)c12 1857754312 ZOYXOFVGUYWXCG-UHFFFAOYSA-N 367.829 4.496 0 1 FIAF COC(=O)c1cccc(CN2C(=O)[C@@H](C)Sc3cc(Cl)ccc32)c1 61905360 UOGSIMSHGDOKHL-LLVKDONJSA-N 361.850 4.154 0 3 FIAF CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccs1)CN32 100909328 LZUOWUYBFWNJBN-JTSZFWPFSA-N 360.523 4.139 0 1 FIAF CC[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)P(=O)(OC)OC 103209103 REFVXEBOWZUQMN-ZDUSSCGKSA-N 371.153 4.137 0 1 FIAF CC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1 100636701 ZQYMAVGPLOKZDK-KDURUIRLSA-N 369.509 4.125 0 1 FIAF COc1ccc(-c2cncn2-c2ccc(Br)cc2)c(OC)c1 1911584103 VBGJXRGLSOBJBC-UHFFFAOYSA-N 359.223 4.319 0 1 FIAF CCC(=O)O[C@@H](C)OC(=O)[C@@H](C)c1ccc2c(c1)Oc1ccccc1CO2 29221729 YWAQBGVTMMVZGE-UONOGXRCSA-N 370.401 4.317 0 1 FIAF O=C(O)CC1CN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64436492 SECVFAJWTWEYDD-URXFXBBRSA-N 361.485 4.030 0 1 FIAF O=C1c2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2C[C@H]1F 28572428 LJJDVRIWWXGNQS-SECBINFHSA-N 353.102 4.275 0 1 FIAF COc1ccc2c(c1)[C@@]1(OCCC=C[C@H]1C)C(=O)N2Cc1ccc(F)cc1 36381901 CRBQYYFIXCEXPB-IVZQSRNASA-N 367.420 4.189 0 3 FIAF O=C(Nc1ccccc1)NC1C[C@@H]2CCC[C@H](C1)N2CCc1ccccc1 39981448 AIIPUPRHGYIPLW-FRIKZZABSA-N 363.505 4.436 0 1 FIAF CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1cccc(Cl)c1 49067251 WYXQXKWJNPAUPH-OAQYLSRUSA-N 371.864 4.007 0 1 FIAF CCCC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(C)c2)NC(=O)N1 40503672 INROQSQRXHHFSQ-FQEVSTJZSA-N 364.445 4.147 0 1 FIAF CCCc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 95553033 KEUNMVAAEVXRAF-PMACEKPBSA-N 359.473 4.253 0 1 FIAF CC(=O)O[C@@H]1C[C@@H](C)[C@]2(CC/C(=C\C(=O)O)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 238782285 IWSKYCJOAZZKEJ-OFFVNLDOSA-N 364.482 4.308 0 1 FIAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587824340 ZTDBCAFGMGYPHF-BBATYDOGSA-N 364.258 4.400 0 1 FIAF C[C@@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587526190 QCYSXSWZGYLLAP-QHCPKHFHSA-N 361.441 4.331 0 1 FIAF CCc1noc(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792560 IYWZHMOINJGYFZ-HUTHGQBESA-N 367.262 4.245 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)ncn3C)N1 587760574 YWZOCPNJNRIMFM-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF CC[C@@H](C)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587438221 DDVQCZYUVJLVHD-DTJNWYTMSA-N 368.429 4.370 0 1 FIAF CC(=O)NC1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CCC(C)CC1 587234542 OVBJXJRYSDZMPP-UHFFFAOYSA-N 357.351 4.262 0 1 FIAF Cc1nc2[nH]c([C@H]3SCCc4sccc43)nc2cc1Br 587036872 OSSRQGGPFCVNJA-LBPRGKRZSA-N 366.309 4.469 0 1 FIAF CCc1cc(O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609703 PDYWLICELLMOKO-UGKGYDQZSA-N 362.381 4.363 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cnn(C)c3)cc1)CC2=O 587475068 IXNZGQZJTNIQNM-NRFANRHFSA-N 362.429 4.452 0 1 FIAF CC(C)c1nn(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587767281 XXYQPXGVYGSTMF-BMLIUANNSA-N 366.278 4.069 0 1 FIAF C[C@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)n1cc(Cl)cn1 587079048 FPGXDGAIGDOBLR-ZCFIWIBFSA-N 365.693 4.071 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc12 587127070 QXJGRMLRSGYGCI-VXNVDRBHSA-N 370.766 4.091 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3ncccc23)N1 587794358 MBLVCJVPIAVGSE-QGHHPUGFSA-N 372.241 4.155 0 1 FIAF C[C@]1(C[C@@H]2CCCCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604678 VGMJMGYRPXUXNX-BPSNYSSFSA-N 366.413 4.262 0 1 FIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(F)c2[nH]1 587114242 XXURWELZIWWZAF-QGZVFWFLSA-N 365.330 4.120 0 1 FIAF Oc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586984978 JWUPQSWXRCEVIN-QGZVFWFLSA-N 372.266 4.216 0 1 FIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)C2 586886873 QQNVZWVOCOEGCG-GUBZILKMSA-N 371.309 4.251 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(-c3ccccc3)cc21 587400302 MOJHDSKZTKCDMX-HSZRJFAPSA-N 370.408 4.057 0 1 FIAF CCCC[C@]1(CC(=O)OC)c2ccsc2CCN1Cc1cccn1C 962397752 LUWWUZAIJUZECH-FQEVSTJZSA-N 360.523 4.094 0 1 FIAF CC[C@@H]1CCC[C@@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963172498 DAMWUTCXJXJAHO-FUEDEBDSSA-N 361.791 4.363 0 1 FIAF CC(C)CCN1C[C@@H](C)N(C(=O)Nc2cccnc2)[C@@H](C)c2ccncc21 1772604684 RLIKJYGXUGWLOZ-SJORKVTESA-N 367.497 4.326 0 1 FIAF C[C@@H]1Oc2[nH]c3ccccc3c(=O)c2[C@]1(C)CC[C@@H]1OC(C)(C)OC1(C)C 14916753 IQNWBWZINFOHGE-UMLSUDCWSA-N 371.477 4.277 0 1 FIAF biogenic CCCCC[C@@H](O)/C=C/CCCC(=O)N(C)CCCCCCC(=O)OC 169322015 YTBPKNFWIRSCLR-JVVYVMHDSA-N 369.546 4.236 0 1 FIAF Cc1nn(C2CCCCC2)c2c1C(c1ccccc1Cl)=NCC(=O)N2C 169335558 PODSJYIGCFKGCL-UHFFFAOYSA-N 370.884 4.164 0 1 FIAF CCCCCCN1C[C@@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccccc1 169355178 DSBYUZJTGKLKIL-BHIFYINESA-N 368.525 4.085 0 1 FIAF CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccs1 169359739 LZUOWUYBFWNJBN-KPAOVDTCSA-N 360.523 4.139 0 1 FIAF Oc1cc(Sc2nnc(-c3ccccc3)o2)c(O)n1-c1ccccc1 169688264 JUMJDISIFCWKOM-UHFFFAOYSA-N 351.387 4.090 0 1 FIAF CCOP(=O)(OCC)[C@H](Nc1ncccn1)c1c[nH]c2ccccc12 1857764687 TUJLSCUQLCOLBN-INIZCTEOSA-N 360.354 4.335 0 1 FIAF Cc1ccc(C)c(Cn2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)c1 6917793 XAZWVMCQOBITGO-UHFFFAOYSA-N 357.457 4.376 0 1 FIAF CC(=O)O[C@@H]1CC=C(C)[C@@H](COc2ccc3ccc(=O)oc3c2)C1(C)C 14447322 NIQOIGOWPAPYKM-IEBWSBKVSA-N 356.418 4.096 0 1 FIAF biogenic COc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCCCC1 26599949 NRYARMAKXIEXJU-UHFFFAOYSA-N 360.461 4.232 0 1 FIAF CC(C)=CCC/C(C)=C\CC/C(C)=C/C[n+]1cn(C)c2ncnc(N)c21 28816709 HQBKNJKVLZVGQX-FJRBYWJDSA-N 354.522 4.257 0 1 FIAF CNc1nc(NCCCCc2ccccc2)nc2cc(OC)c(OC)cc12 82131545 NCKWSCJLZIVEPE-UHFFFAOYSA-N 366.465 4.124 0 1 FIAF [C-]#[N+]c1ccc(N[C@H](CO)c2nnc(-c3ccccc3)o2)c(C)c1Cl 146544848 XOQWGXMXFBFHBE-OAHLLOKOSA-N 354.797 4.395 0 1 FIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)c(F)cc2[nH]1 586907691 NVJQMSNHDPUBJY-MRVPVSSYSA-N 363.186 4.045 0 1 FIAF O=S(=O)(/C=C\c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccccc1 586924616 SDDRSZIQWCCVQZ-SREVYHEPSA-N 370.327 4.165 0 1 FIAF O=C1c2ccccc2-c2cc(-c3cnc4ccccn34)nc3ccc(O)c1c23 586988484 SKMAMFGCBBMNAB-UHFFFAOYSA-N 363.376 4.467 0 1 FIAF Clc1cncc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587016866 DHEMEGOLDJYALO-UHFFFAOYSA-N 354.822 4.337 0 1 FIAF O[C@H](c1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1Cl 587058971 KERXOEKVAUVLJC-ZDUSSCGKSA-N 355.594 4.200 0 1 FIAF C[C@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173080 UKXURKXMKATTTO-QGZVFWFLSA-N 364.298 4.349 0 1 FIAF Cc1c(Cl)ccc2nc(-c3cncc(I)c3)[nH]c12 587185040 PAXIQNIOKULULP-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF COc1ccc(C)cc1NCCCc1nc2cc3c(cc2[nH]1)OCCCO3 587228278 AIYRUHPNIKJFCS-UHFFFAOYSA-N 367.449 4.086 0 1 FIAF O=C(/C=C/c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)Nc1ccccc1 587243881 JVNKOCHOXBSGQK-BUHFOSPRSA-N 367.408 4.446 0 1 FIAF Cc1cc(C)cc([C@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c1 587406385 GTFRLNHEXIXIMT-QFIPXVFZSA-N 367.445 4.310 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C)cc(Br)c1)[C@@H](C2)C3=O 587416809 FWPPEVDSMZPMNS-KBXCAEBGSA-N 359.219 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(C(=O)OC(C)(C)C)c1)CC2=O 587477777 VAEOYJLCRKEZET-QGZVFWFLSA-N 372.421 4.031 0 1 FIAF O=C1C[C@@H](C[C@@H]2CCCCC23OCCO3)Oc2c1ccc1c2CCCC1 587534584 FHUGZUIBICIXQJ-DLBZAZTESA-N 356.462 4.223 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1cc(O)ccc12 587607320 HWVQVTYNSCWVAL-REWPJTCUSA-N 374.392 4.291 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(O)cc2F)N1 587720985 UWHSZGFJCQEPBM-QZTNRIJFSA-N 372.184 4.196 0 1 FIAF CC(C)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 587796791 QDROFTMTMSKSMT-XXFAHNHDSA-N 353.235 4.323 0 1 FIAF CCO[C@@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 587807524 DKOIYBHGEFEKME-ONUMYQOESA-N 368.290 4.297 0 1 FIAF CCOC1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587813097 SYQPQUTVEPAFQR-FFLHNBHYSA-N 356.279 4.297 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCCC2=O)N1 587818851 FUUMGASXVVFEFS-ILMHXZGMSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3scnc32)N1 587859926 YYLKFMOVQDULMY-XXFAHNHDSA-N 367.287 4.159 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(Cl)cc1 587871279 RUVXWPGLHVZNIA-UHFFFAOYSA-N 374.799 4.461 0 1 FIAF COc1ccc(Cc2nc3ccc(Br)c(C)c3[nH]2)cc1OC 587927876 VQFLMLCDPJPLNB-UHFFFAOYSA-N 361.239 4.242 0 1 FIAF C[C@@H]1C[C@]2(CN1Cc1ccccc1)c1c(F)cccc1C[C@@H]1CCCN12 963095307 COODGONOSTVRGA-MONBJTKQSA-N 350.481 4.336 0 1 FIAF CS(=O)(=O)Nc1ccc(-c2cncc(-c3ccc4cc[nH]c4c3)c2)cc1 1857542039 OCQOLFRRSJQDMD-UHFFFAOYSA-N 363.442 4.268 0 1 FIAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1O 1911575928 RHCOBUMZLWPHMX-UHFFFAOYSA-N 350.218 4.077 0 1 FIAF COc1ccc(-c2cnc3cnc(-c4cccc(OC(C)C)c4)cn23)cn1 2382227370 GEUYYEOBEJSERG-UHFFFAOYSA-N 360.417 4.254 0 1 FIAF CC[C@H](CO)Oc1cc(NC(=O)c2ccccc2)c2ncn(C(C)C)c2c1 36389250 KLGJFSFFAREHKR-MRXNPFEDSA-N 367.449 4.019 0 3 FIAF COc1cccc(/C=C2\C[C@@]3(OC(=O)c4cccc(F)c4)CCCN2C3)c1 96018868 LRUDBTHKNVOWJS-CMYPOMNDSA-N 367.420 4.271 0 3 FIAF COc1ccc(C(=O)c2sc(Nc3ccc(Cl)cc3)nc2N)cc1 1658553 RCEICRISYMHQBI-UHFFFAOYSA-N 359.838 4.362 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4055514 FIFQEWPXKVJWPW-RDJZCZTQSA-N 362.882 4.410 0 1 FIAF O=C1[C@H](CCN2CCC(c3noc4cc(F)ccc34)CC2)CC2=CC=C[C@H]12 26961451 GGEFSRKFXAJIQL-AEFFLSMTSA-N 366.436 4.238 0 1 FIAF Cc1ccc([C@H]2CC(=O)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc1 27082872 SCRXHSDGKNHCRZ-CYBMUJFWSA-N 353.805 4.113 0 1 FIAF Cc1noc(C)c1-c1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1 28863436 AMTVLHYWYMXOAF-UHFFFAOYSA-N 364.401 4.228 0 1 FIAF CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)nc1OC 34033636 LOEKKMQWNLGYCV-UHFFFAOYSA-N 359.470 4.104 0 1 FIAF COc1ccc([C@H]2CC(=O)N(c3ccccc3N)C2)cc1OC1CCCC1 34820571 MQQUGANPEOPTLR-INIZCTEOSA-N 366.461 4.119 0 1 FIAF CN1CCCc2cc(OC(=O)Nc3ccc(Br)cc3)ccc21 35825719 AYJXMMSMAPTVPJ-UHFFFAOYSA-N 361.239 4.442 0 1 FIAF CCc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1 36338835 XDGUQWMBCHDRBW-UHFFFAOYSA-N 374.404 4.073 0 1 FIAF C=C(C)[C@@H]1C[C@@]23C(=O)[C@@](C)(C[C@@H]2C1(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C3O 38930927 TZUMPSGMPXZTHQ-XVIFCBRDSA-N 358.478 4.200 0 1 FIAF biogenic COc1cccc([C@H](O)C2CCN(CCc3ccc(C)cc3)CC2)c1OC 40949675 PTMIUFFWTDLVGW-JOCHJYFZSA-N 369.505 4.000 0 1 FIAF O=C(Cn1c(-c2ccc[nH]2)nc2ccccc21)Nc1ccc(Cl)cc1 73295707 XKEKDEYETNCKLO-UHFFFAOYSA-N 350.809 4.324 0 1 FIAF Brc1cccc(Cn2c(CN3CCCC3)nc3ccccc32)c1 96285127 MYZRLRRDRPQMKL-UHFFFAOYSA-N 370.294 4.443 0 1 FIAF Cc1nc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)sc1F 96938937 JSXSIONECLGBMY-UHFFFAOYSA-N 364.789 4.079 0 1 FIAF O=c1[nH]c(=O)c(Cc2ccccc2)c([C@H]2CC[C@H](c3ccccc3)CC2)[nH]1 101598478 VHLMQIRJBBXPBJ-KDURUIRLSA-N 360.457 4.095 0 1 FIAF C[C@@H]1C[C@@H](C)CN(CCCn2cnc3c4cc(Cl)ccc4nc-3c2O)C1 103591595 CMGYAAWRUYVIBT-ZIAGYGMSSA-N 372.900 4.263 0 1 FIAF CO[C@@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 138953213 BIJRQAJTQOQURV-GOSISDBHSA-N 362.433 4.238 0 1 FIAF COc1ccc2c(Cc3c(-c4ccc(C)cc4)[nH][nH]c3=O)c(O)ccc2c1 169311765 VUHDRGMYTVXUOW-UHFFFAOYSA-N 360.413 4.137 0 1 FIAF Cc1cccc(N2CCN(Cc3coc(-c4ccccc4F)n3)C[C@H]2C)c1 195336630 KBDLZDBIYXIKEH-QGZVFWFLSA-N 365.452 4.500 0 1 FIAF Cc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Br 586908675 TVHGTTANHCGCCL-SNVBAGLBSA-N 359.223 4.215 0 1 FIAF Cc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2n1 587017608 MKBPPRKTDPHBDA-UHFFFAOYSA-N 358.430 4.104 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 587115874 CUVQLLLANIHQSR-UHFFFAOYSA-N 374.322 4.209 0 1 FIAF Fc1ccccc1CCc1nc2c(Cl)c(Br)cnc2[nH]1 587150489 RWOVPBKZIYCAGV-UHFFFAOYSA-N 354.610 4.298 0 1 FIAF O=C1C[C@H](c2nc3ccc(Cl)cc3[nH]2)CN1Cc1ccc(F)cc1F 587150999 WWZGSRGVUJSOKV-NSHDSACASA-N 361.779 4.011 0 1 FIAF N=c1cc(-c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc2[nH]1 587253294 GISYYVJXXZEEGT-UHFFFAOYSA-N 357.186 4.092 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1OCC1CC1)[C@@H](C2)C3=O 587428373 MTEBFUVWJGYJMM-HRAATJIYSA-N 354.377 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3nc(C)no3)c1)CC2=O 587488181 ZSXOPPUPGBVBGM-IBGZPJMESA-N 364.401 4.410 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc3c(c1)OCO3)CC2=O 587494637 ZJAMMCXRXNIVRK-JOCHJYFZSA-N 368.429 4.430 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(F)c1 587556636 YORQGGSPVURMAW-PXNSSMCTSA-N 354.308 4.373 0 1 FIAF CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)F 587622072 WJKGDZAJGPRMNA-UHFFFAOYSA-N 360.133 4.114 0 1 FIAF COC(=O)c1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)cc1 587631877 YKMLJHUOXKONQV-UHFFFAOYSA-N 360.772 4.308 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CF)(c2ccccc2)N1 587721705 XDZJVPPPKPKTQH-APPDUMDISA-N 352.222 4.336 0 1 FIAF CC[C@H](C)n1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587758341 INAVIOOHTLHXJR-VGTOOOLASA-N 366.278 4.379 0 1 FIAF Cc1cc2c(cn1)[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587776477 CZHIOBUWGLEZSH-BBATYDOGSA-N 361.258 4.016 0 1 FIAF CC[C@]1(c2nccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587851180 BEUMKQACZHFUIL-VFZGTOFNSA-N 355.276 4.233 0 1 FIAF Fc1cccc2c1[C@]1(c3ccccc3CC13CCOCC3)N1CCC[C@H]1C2 963100656 CHDHPHQHEHOQRE-CYFREDJKSA-N 363.476 4.443 0 1 FIAF C[C@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3ccncc3)nc21 1857533711 OEIVNXXNIJCKPD-CYBMUJFWSA-N 370.391 4.185 0 1 FIAF Cc1nc(N)c(-c2cc(F)c(O)c(F)c2)cc1-c1cc(F)c(O)c(F)c1 1857565239 RGBAPFCJLUZHDO-UHFFFAOYSA-N 364.298 4.274 0 1 FIAF Cc1cnc(NC(=O)N2CCN(c3ccc(C)c(Cl)c3)[C@@H](C)C2)s1 2382251716 IMZDYYUEYGKVGG-LBPRGKRZSA-N 364.902 4.156 0 1 FIAF Cc1ccc(C)c(OCc2cc(C(=O)N3CCc4sccc4C3)no2)c1 12593418 CBAHOFJYXZSUGS-UHFFFAOYSA-N 368.458 4.130 0 3 FIAF CN(C)c1cccc(/C=C2\C[C@@]3(OC(=O)c4ccccc4)CCCN2C3)c1 96018840 APNATFWXWYKUQT-QFVBLGFASA-N 362.473 4.189 0 3 FIAF Nc1ccc(-c2nc3ccc(F)cc3s2)cc1I 1862878 YTJFKVURYWRVQQ-UHFFFAOYSA-N 370.190 4.289 0 1 FIAF O=C(c1ccncc1)N1N=C(c2ccccn2)C[C@H]1c1cccc(Cl)c1 102232372 UXMWMOKSCFBUEN-IBGZPJMESA-N 362.820 4.122 0 1 FIAF COc1c(O)ccc([C@H]2COc3cc4c(cc3C2)C=CC(C)(C)O4)c1OC 14713098 DVQGSNPWOLEDRV-OAHLLOKOSA-N 368.429 4.312 0 1 FIAF biogenic O=C(N=c1[nH]nc(-c2ccccc2)o1)c1ccc(SC(F)(F)F)cc1 2382249347 YYSQOQHODKBDIA-UHFFFAOYSA-N 365.336 4.023 0 1 FIAF COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3cccc(Cl)c23)cn1 653786564 XOJIAZWQVNHUGU-UHFFFAOYSA-N 371.824 4.101 0 1 FIAF Fc1c(Br)cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1F 587176983 YEGCSVVLHQXRKV-UHFFFAOYSA-N 367.128 4.286 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccn2)N1 587696169 DCBZNLQAXXIGFH-ABKXIKBNSA-N 369.665 4.434 0 1 FIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccccc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587240470 UDNKUJOXOGTYPB-QSZISKGPSA-N 371.481 4.118 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(F)ccc(F)c31)CC2=O 587472819 VQHWRSCLDSSVCO-FQEVSTJZSA-N 360.356 4.266 0 1 FIAF O=C1C[C@H](c2ncc(Br)s2)Oc2c1ccc1c2CCCC1 587535354 KJLNBNRZETUTNW-CYBMUJFWSA-N 364.264 4.491 0 1 FIAF CSc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587123605 IXSIWMCXTPIZKP-OQPBUACISA-N 367.400 4.456 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1sccc1Br)[C@@H](C2)C3=O 587454439 YZTGOZDQUQKLTF-LKFCYVNXSA-N 351.221 4.008 0 1 FIAF Cc1nn(-c2ccncc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513551 CFRGPLSHHGKROI-NRFANRHFSA-N 359.429 4.161 0 1 FIAF Nc1ccc(/C=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587251793 OBFSNNGJRDKBFI-UTCJRWHESA-N 354.282 4.365 0 1 FIAF Nc1ncnc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc12 587015061 DCJBUHIYDIVFNR-UHFFFAOYSA-N 363.233 4.032 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(C2CC2)N1 587774670 NQRGXWGRFMDQPM-BBATYDOGSA-N 361.258 4.171 0 1 FIAF CCC(C)(C)c1ccc(OCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587565862 VVFXVRLVLGTEMJ-UHFFFAOYSA-N 374.462 4.076 0 1 FIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCCC1 587395186 LHERNFVYLQEXHC-HXUWFJFHSA-N 366.461 4.283 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)cc1F)O2 587382932 VPAOFLJGRDDGRS-QGZVFWFLSA-N 364.214 4.359 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@H]2c1cccc(F)c1Br 963269307 HZAUQTUPJAWXEU-INIZCTEOSA-N 370.649 4.485 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cccn1-c1ccc(C)cc1 963606379 HMOVQKIUDJSWQP-MWTRTKDXSA-N 362.473 4.427 0 1 FIAF CCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1 13472858 DWBFQADAHYGPMY-UHFFFAOYSA-N 354.498 4.179 0 1 FIAF COc1ccc2c(c1)[C@@H](CCNC(=O)C(F)(F)F)[C@@H](c1ccccc1)C2 13491246 LBYVRCORGULJGD-DLBZAZTESA-N 363.379 4.187 0 1 FIAF COc1cc2nc(=S)n(Cc3ccccc3Cl)c(N)c2cc1OC 13598835 SJLSEFNDRAIATL-UHFFFAOYSA-N 361.854 4.067 0 3 FIAF CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C(Cl)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 16990484 HGPYPOGDCXQMFV-JMIFUSEDSA-N 364.913 4.405 0 3 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OCC 4049526 WIYMYULHJCEQDA-TZIWHRDSSA-N 366.461 4.093 0 1 FIAF O=C1c2c(O)cccc2Cc2ccc(CCCc3ccc(O)cc3)c(O)c21 13490527 UZFYFZHFVTVFFK-UHFFFAOYSA-N 360.409 4.114 0 1 FIAF Fc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1 13560012 OKGJPMZATLJSGV-UHFFFAOYSA-N 371.375 4.058 0 1 FIAF Cc1noc(CCc2c(-c3ccccc3)c(=O)[nH]c3cc(Cl)ccc23)n1 13761248 FSQPWURIVLVIDR-UHFFFAOYSA-N 365.820 4.325 0 1 FIAF C[C@@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N(C)C2 27726553 ZSLWUVZDXDAKIP-QXWBOSQLSA-N 353.865 4.055 0 1 FIAF CC(C)c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@@H](C)CNC4=O)c1 28902017 LYTVARFHLKUMIM-ZDUSSCGKSA-N 361.445 4.391 0 1 FIAF O=C(Nc1ccc(NC(=O)c2ccccc2F)c(Cl)c1)c1ccccn1 66078698 QZSQUSWYSVWWGC-UHFFFAOYSA-N 369.783 4.379 0 1 FIAF FC(F)(F)c1ccc(Sc2ccc3c(c2)N2CCNC[C@@H]2C3)cc1 71294805 YPCWKTBFKHGTDP-AWEZNQCLSA-N 350.409 4.191 0 1 FIAF Cc1cccc(N2CCN(Cc3coc(-c4ccccc4F)n3)C[C@@H]2C)c1 72185976 KBDLZDBIYXIKEH-KRWDZBQOSA-N 365.452 4.500 0 1 FIAF CCC(=O)N[C@@H]1Cc2c(Br)cccc2[C@H](c2ccccc2)C1 82151975 DDYWCHVTOIVMAT-HOCLYGCPSA-N 358.279 4.422 0 1 FIAF CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1 95588883 BYSZAXBFQDKJJO-UHFFFAOYSA-N 350.422 4.139 0 1 FIAF FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccnc4)n3n2)c1 95601806 ZWZORHUVFXTHOK-UHFFFAOYSA-N 373.363 4.356 0 1 FIAF CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SC)nn21 103963933 KTVHNTMYIRQPCV-MRXNPFEDSA-N 356.451 4.070 0 1 FIAF O=C(Nc1ccc([C@H]2CCNC2)cc1)c1cc2ccccc2c(Cl)n1 117720916 CRXUAVINIRWJJJ-HNNXBMFYSA-N 351.837 4.217 0 1 FIAF CN1Cc2cc(N3CCOCC3)ccc2[C@@H](c2cc3ccccc3s2)C1 149951356 ZRXUBWRDOKMUIN-FQEVSTJZSA-N 364.514 4.315 0 1 FIAF O=C(O)c1cccc(Cc2c(-c3ccccc3)nn3cc(Cl)ccc23)n1 203413038 KSNBGOSHJIIPSW-UHFFFAOYSA-N 363.804 4.339 0 1 FIAF CCc1cc2c(OCc3cc(-c4ccc(OC)cc4)no3)ncnc2s1 207705215 XMGOARFZLUMZSB-UHFFFAOYSA-N 367.430 4.496 0 1 FIAF Cc1cc(-c2nc3cc(C(=N)N)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880330 XTHBOTWHSPYONX-UHFFFAOYSA-N 370.412 4.188 0 1 FIAF CCS(=O)(=O)c1ccc2nc([C@H](C)SCc3ccccc3)[nH]c2c1 586961133 FWNIOQZHAFHRTC-ZDUSSCGKSA-N 360.504 4.351 0 1 FIAF COC(=O)c1cccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c12 587011214 IMNQGCJHJLKASK-UHFFFAOYSA-N 363.442 4.372 0 1 FIAF COC(=O)c1ccnc2[nH]c(-c3nc(-c4ccc(C)cc4)sc3C)nc12 587011857 DJYGHOCXPDSVPI-UHFFFAOYSA-N 364.430 4.152 0 1 FIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)c(F)c(F)c2[nH]1 587079299 IICMLCAKPRGUCO-LLVKDONJSA-N 364.758 4.357 0 1 FIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)cncc3[nH]2)n1 587080155 NDAXKZBRWCRYAN-SSDOTTSWSA-N 354.639 4.208 0 1 FIAF COC(=O)[C@H]1c2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1(C)C 587096606 FKNWHUWKHKWFMY-GOSISDBHSA-N 357.409 4.302 0 1 FIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCO3 587163807 TZTJNSWZJPEIEN-UHFFFAOYSA-N 360.344 4.329 0 1 FIAF Cc1ccc2c(ccc3nc(-c4cc(Br)cnc4F)[nH]c32)n1 587178104 PURALBBNRDGDKB-UHFFFAOYSA-N 357.186 4.383 0 1 FIAF Fc1ncc(Br)cc1-c1nc2cccc(Br)c2[nH]1 587178232 WJTNJNGQYICCIV-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 587241507 DUFULAUHDLZKBU-UHFFFAOYSA-N 351.406 4.303 0 1 FIAF C[C@]1(c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335732 MEILVTLSHPWUNA-IFMALSPDSA-N 363.388 4.388 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCSc4c(F)ccc(F)c41)[C@@H](C2)C3=O 587428012 MRNZXLDVJRVSFY-JEOXALJRSA-N 360.381 4.112 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4COc4ccccc41)[C@@H](C2)C3=O 587454019 QUKANLKVLVAPLG-YADARESESA-N 370.404 4.279 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Cl)cc(C)cc21 587459446 DKQWQGDIYNUQSZ-FQEVSTJZSA-N 371.820 4.119 0 1 FIAF COC(=O)C[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505705 PSOJPMYEMDLZFU-JOCHJYFZSA-N 368.404 4.128 0 1 FIAF O=C1C[C@@H](CCc2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587536188 RMEXIMZRWIIHAE-QGZVFWFLSA-N 364.441 4.303 0 1 FIAF CN(C)/C=C/[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573906 VFJDKFHNCWLQTC-ZJZXMUGYSA-N 367.445 4.214 0 1 FIAF Oc1c(-c2ccc(I)cc2)[nH]c2cccc(F)c12 587635403 KERHJQPFTXCLRC-UHFFFAOYSA-N 353.134 4.284 0 1 FIAF COc1cccc(F)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587722909 UIMRBWLWFOESHI-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF CC[C@H](C)n1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587762061 WYGJPYBSQVULDJ-DINDLPBHSA-N 366.278 4.379 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3n2)N1 587799315 XXSGTRFZTOUMNE-BMLIUANNSA-N 372.241 4.155 0 1 FIAF CCC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815697 OXTXOXRJSNAJCE-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF COc1ccc(-c2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)cc1OC 587929623 ZGGFFVVIOBLWLN-UHFFFAOYSA-N 366.808 4.358 0 1 FIAF CC[C@]1(c2cc(N)ccc2C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618975 CUSAYKRAWXZHBE-NYHFZMIOSA-N 354.494 4.124 0 1 FIAF Oc1ccc2c(c1)[C@@]1(CCSc3ccc(Br)cc31)NCC2 963329773 SWPBOKYSEDQBIG-QGZVFWFLSA-N 362.292 4.040 0 1 FIAF C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@]2(NCCc3ccc(O)cc32)[C@H]1C 963351370 GUIWYCLFQFQVRL-GWRGGIJNSA-N 364.533 4.298 0 1 FIAF Cc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)cc1 2356302182 NVMQPGHLMRKACL-WIYYLYMNSA-N 367.468 4.227 0 1 FIAF CC1=C[C@@H](C)O[C@]2(C1)C(=O)N(CC1CC1)c1cccc(Br)c12 38142339 BKQVTFVNPJFLPR-XIKOKIGWSA-N 362.267 4.156 0 3 FIAF COc1c2c(c3ccoc3c1OC)O[C@H](c1ccccc1)[C@H](OC)[C@H]2OC 15045241 CJDWWGLVOLCWPW-BPAFIMBUSA-N 370.401 4.286 0 1 FIAF biogenic CCCN(CC1CC1)c1nc(-c2cccc3cc(OC)ccc23)n(C)n1 26846513 WUXQXXVGKYTYHH-UHFFFAOYSA-N 350.466 4.270 0 1 FIAF CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3n2)CC1 40846558 XBGVVGJFLKPDFX-UHFFFAOYSA-N 372.394 4.067 0 1 FIAF CO[C@](C(=O)OCC[C@H]1CCCN1C)(c1ccccc1)C1CCCCC1 45167493 BUABEPGVYMMDKB-IFMALSPDSA-N 359.510 4.136 0 1 FIAF C[C@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(=O)CC(=O)C1 102895333 FVEVQUBFQXFSNY-QMMMGPOBSA-N 368.273 4.430 0 1 FIAF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1OC(=O)c1ccc(F)cc1 103206847 OBCHKSRMQCIPMM-PLMTUMEDSA-N 370.376 4.359 0 1 FIAF CCCCN1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CCCC[C@H]3[C@H]2C1=O 195424108 GGXWBZNRHZUBAJ-WTVLQJKYSA-N 350.462 4.324 0 1 FIAF CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@H]2C(=O)CC[C@H](C)[C@@]12C 238779943 ZHYSGQLQAZCSGC-WAIKAILLSA-N 360.450 4.197 0 1 FIAF C[C@]12CCC=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 255245372 NIPQNFNROARCSF-QZGNAIIZSA-N 354.490 4.330 0 1 FIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC 299883790 RZYUDLQJUQIDHN-LLUDDFSJSA-N 374.525 4.224 0 1 FIAF Cc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Cl 587005411 HYYSQGIZHBBTDC-UHFFFAOYSA-N 358.026 4.398 0 1 FIAF COC1=Cc2nc3c(C)ccc4c3c(c2[C@H](C(=O)O)C1)-c1ccccc1C4=O 587099244 XCVMEMLRRUKCAR-MRXNPFEDSA-N 371.392 4.314 0 1 FIAF Cc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Cl 587132180 LYWHSCKDPLHJMT-SNVBAGLBSA-N 371.815 4.494 0 1 FIAF O=C(O)c1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587133979 GWOSIGQESXJVND-SNAWJCMRSA-N 354.234 4.127 0 1 FIAF Cc1cc(Br)cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c12 587243752 HUAOCBWPMVVBTI-FPLPWBNLSA-N 356.223 4.286 0 1 FIAF CCn1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587343469 TXMWVXCCRUMUNG-PZJWPPBQSA-N 366.392 4.022 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCc3ncccc32)[C@@H]1c1ccc(F)cc1 587343854 DSZDAKBJZGFROQ-IRLDBZIGSA-N 361.372 4.127 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 587392815 DLYDXQKYVKNOGA-IRXDYDNUSA-N 364.489 4.069 0 1 FIAF CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587409521 WIMXGYLEEHWXFL-XDOUZAJPSA-N 357.450 4.138 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc4cc(C=O)sc4s1)[C@@H](C2)C3=O 587451920 LPRFCHOHOHDGHX-SJCJKPOMSA-N 356.424 4.273 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc3c(c1)OCCO3)CC2=O 587492580 RGDQVXUALDPNOV-QFIPXVFZSA-N 368.429 4.387 0 1 FIAF CCOC(=O)[C@@H]1CCCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525727 RNRGARKZLHIBTD-AVRDEDQJSA-N 356.462 4.413 0 1 FIAF FC(F)(F)C(F)(F)c1cc2nc(CCOCc3ccccc3)[nH]c2cn1 587565754 JSCFFGAYWNNKNC-UHFFFAOYSA-N 371.309 4.371 0 1 FIAF Cc1cc(N)cc(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577615 LBXGUSHOLXIQBZ-DENIHFKCSA-N 361.397 4.294 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Cl)N1 587706359 PRWCDELKRQOKOS-RTHLEPHNSA-N 355.638 4.260 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Cl)N1 587708697 ZEKQTHGZVXHXDW-XLKFXECMSA-N 355.638 4.260 0 1 FIAF COc1cccc(OCc2ccc(-c3nc4cc(C(=N)N)ccc4[nH]3)cc2)c1 587780720 GMGMMVJMEIMWBS-UHFFFAOYSA-N 372.428 4.102 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1ccc(OC)cc1 587870147 AQBYYYYXLYVDHO-UHFFFAOYSA-N 368.408 4.370 0 1 FIAF COc1ccc(CCNc2c(-c3ccccc3O)nc3ccccn23)cc1 653717581 ZBJRJZBGMBEVHG-UHFFFAOYSA-N 359.429 4.370 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1cccc(OC(C)C)c1)N(C)[C@H](C)C2 962639401 QBYVBWICYGAUFB-IVZQSRNASA-N 355.478 4.457 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(N(C)C)ccnc2Cl)N1 962963878 XGLMJXXEQSHTSA-BLVKFPJESA-N 354.885 4.296 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc(OC)c(OC)c1N 963227677 KFZHZKKOYQJEIP-NYHFZMIOSA-N 354.494 4.206 0 1 FIAF Nc1cc(F)c(-c2cc(N[C@H]3CCCCNC3)c3ccncc3c2)cc1F 1911573913 RGVNKOFWXQLELK-HNNXBMFYSA-N 368.431 4.316 0 1 FIAF CCCCC(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 2456424 SCESQZQXKBZACK-FQEVSTJZSA-N 358.388 4.025 0 3 FIAF COc1ccc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1OC 13863445 MVBJBRFEZXJJLE-UHFFFAOYSA-N 372.424 4.129 0 1 FIAF COc1ccc(CN2CC[C@H]3CC(=O)N(C4CCCCC4)CC[C@H]3C2)cc1 15672990 QNPDLYDWRHUYDD-PMACEKPBSA-N 370.537 4.088 0 1 FIAF biogenic CCCCCC(=O)c1ccc(OCCCN2CCN(CCC)CC2)cc1 22924773 YNNQILILZIBLOF-UHFFFAOYSA-N 360.542 4.246 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](Cc1ccccn1)[C@@H]2O 28568624 SJHBYTOZADGQDY-FRLKXMCISA-N 363.501 4.473 0 1 FIAF in-vivo CCC[C@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 29474793 CWLFBVVMPWYBAR-IMNFJDCFSA-N 367.533 4.369 0 1 FIAF CC[C@H]1CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1 45351911 LGCIZDYPKPLDMP-AWEZNQCLSA-N 358.873 4.444 0 1 FIAF CCN(CC)c1cccc([C@@H]2CC(=O)c3cc(OC)c(OC)cc3O2)c1 45352454 NUPRPNOEASPLJQ-SFHVURJKSA-N 355.434 4.257 0 1 FIAF COc1cc(-c2ccc(C(=O)NCc3ccccc3)cc2)cc(OC)c1O 64564758 LGXXZMGEHMLIPX-UHFFFAOYSA-N 363.413 4.006 0 1 FIAF Cc1csc(CNc2ncnc3ccc(-c4ccc([C@H](C)O)o4)cc23)n1 66124093 AFZYGYJHBGHIPP-LBPRGKRZSA-N 366.446 4.320 0 1 FIAF N=C(N)c1ccc(-c2ccc3[nH]c(-c4ccc(C(=N)N)cc4)cc3c2)cc1 71295169 QXXPNDQHAHGWND-UHFFFAOYSA-N 353.429 4.070 0 1 FIAF Cc1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccccc2C)o1 82177370 DSCIIZMAPVOMRG-HNNXBMFYSA-N 350.422 4.006 0 1 FIAF COc1ccccc1CN(C(=O)CF)c1cnccc1Oc1ccccc1 84709514 URGRRQZOQYNNQU-UHFFFAOYSA-N 366.392 4.385 0 1 FIAF Clc1ccc(CNc2nc(NCc3ccccc3)c3nc[nH]c3n2)cc1 87722007 FXGYHBKOMIAWNY-UHFFFAOYSA-N 364.840 4.231 0 1 FIAF CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(CN=O)c3CC[C@@H]21 169722788 HLASJEZHQCWEKD-AZUAARDMSA-N 356.853 4.247 0 1 FIAF Oc1cccc2c1OCC(c1nc3c(F)cc(Br)cc3[nH]1)=C2 586908801 RKWMJTKATZDTCE-UHFFFAOYSA-N 361.170 4.103 0 1 FIAF C[C@@H]1O[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586918190 JVYZJTSTAVUXJI-MGPLVRAMSA-N 359.223 4.364 0 1 FIAF Cc1ccc2c3c(c4c(nc13)[C@@H](CC(=O)N(C)C)CC4)-c1ccccc1C2=O 586998200 YRXLMEGDICRGGS-CQSZACIVSA-N 370.452 4.263 0 1 FIAF Brc1c[nH]c2nc(-c3cccc(-c4ccsc4)c3)nc-2n1 587025341 IKOXQEKBJYVEQE-UHFFFAOYSA-N 357.236 4.463 0 1 FIAF O=C(CCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(Cl)cn1 587083064 ZWEFLXJNRRKDPY-UHFFFAOYSA-N 371.721 4.373 0 1 FIAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C)[C@H](C(=O)O)C4)-c1ccccc1C2=O 587101040 JMZVVYBJZRYLGE-MLGOLLRUSA-N 357.409 4.190 0 1 FIAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 587250662 VRTVTRZGXZWGOU-UHFFFAOYSA-N 359.385 4.226 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4ccnc4)cc1Cl)[C@@H](C2)C3=O 587417995 GFUKEHPXRKRELJ-MGPUTAFESA-N 366.804 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H](C2)C3=O 587423667 VFRHKIICSOOWRR-BTDLBPIBSA-N 351.185 4.196 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(Cn1nc(C)c(Cl)c1C)CC2=O 587461694 LWJJGLNFAKWTCN-IBGZPJMESA-N 362.857 4.236 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccccc1C)CC2=O 587485474 WTHSSNRUBAFQRU-QFIPXVFZSA-N 368.429 4.077 0 1 FIAF COCOc1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525736 RQHIATRZAFVYII-QFIPXVFZSA-N 352.430 4.429 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(F)cc1Cl 587573255 YPJJYOPMMORKRC-KXBFYZLASA-N 371.751 4.283 0 1 FIAF C[C@@]1(c2c[nH]c3ccncc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589466 PCMXAGYIATWIKO-KNQAVFIVSA-N 372.380 4.146 0 1 FIAF CCCCCC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604456 TZYXNYIVCPRMOR-UTKZUKDTSA-N 370.401 4.148 0 1 FIAF CC[C@]1(Cc2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617008 NXABKTIMBJSPBQ-WIYYLYMNSA-N 350.370 4.338 0 1 FIAF Cc1cc(C)n(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587763335 JIXQBZSGXFGVDH-QGHHPUGFSA-N 366.278 4.067 0 1 FIAF CCOc1ccccc1OCc1nc2cc(F)cc(Br)c2[nH]1 587780093 LJIQWJYUCGKTAO-UHFFFAOYSA-N 365.202 4.442 0 1 FIAF CCOC1=C(C)[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587801373 KWTUFZPWHCQKJO-BMLIUANNSA-N 354.263 4.422 0 1 FIAF Cc1ccccc1-c1cn2c(-c3ccc(CCC(=O)O)cc3)cnc2cn1 653778394 INPCDNAFZWGLMU-UHFFFAOYSA-N 357.413 4.389 0 1 FIAF CCCOc1ccc2c(c1)c(-c1ccccc1S(C)(=O)=O)cn2C(C)=O 653813279 DEUJIQRLYVBYAT-UHFFFAOYSA-N 371.458 4.161 0 1 FIAF CO[C@](C)(C1CC1)[C@@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962634227 HYQCINJFECFEEX-YFNKSVMNSA-N 362.517 4.290 0 1 FIAF CC(C)c1nn(C)c2c1[C@@H](c1c(F)ccc(C(F)(F)F)c1F)NCC2 962919510 KWXMHFGFJRZGKJ-MRXNPFEDSA-N 359.342 4.076 0 1 FIAF Cc1cccc(CC[C@]2(C3CC3)NCCc3ccc(C(=O)N(C)C)cc32)c1 962928742 SMUWAJNENRFIRH-XMMPIXPASA-N 362.517 4.081 0 1 FIAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 1772575214 QHIHKAVPDBWUDE-UHFFFAOYSA-N 353.805 4.061 0 1 FIAF CC(=O)OCOC(=O)c1ccc(Nc2nc(-c3ccsc3)cs2)cc1 1857572954 JHHUZGULPKJASI-UHFFFAOYSA-N 374.443 4.293 0 1 FIAF N[C@@H](CCCCCC(=O)c1ccon1)c1cc(-c2ccccc2F)on1 1911573684 DJJICDKYOCVBNI-HNNXBMFYSA-N 357.385 4.302 0 1 FIAF CCCCCc1cc(O)c(C[C@@H](O)[C@](C)(O)CCC=C(C)C)c(O)c1 2356394408 BKIVMEYACIOCCX-NHCUHLMSSA-N 350.499 4.231 0 1 FIAF COc1cc([C@@H](O)c2nc(-c3cc(F)cc(F)c3)cs2)ccc1F 61895362 AOPGNTZXNFBNKZ-MRXNPFEDSA-N 351.349 4.318 0 3 FIAF CN(C)CCC[C@@H](C(N)=O)c1ccccc1Sc1ccc(Cl)cc1 2032304 KCEJUVBPTILNAR-QGZVFWFLSA-N 362.926 4.402 0 1 FIAF CCCCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccc(F)cc1 2724141 GEBVUCWFYQSIAZ-OAQYLSRUSA-N 354.425 4.194 0 1 FIAF COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2Cl)NC3=O)cc1 4929099 PJKMKGFTLZNIFI-MRXNPFEDSA-N 374.227 4.225 0 1 FIAF COc1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1 5891723 FPNGOACTOIUWQW-UHFFFAOYSA-N 351.450 4.422 0 1 FIAF CC1CCN(C(=O)CSc2c3c(nc4ccccc24)CCCC3)CC1 6746201 PPNZAQGAYKVTPM-UHFFFAOYSA-N 354.519 4.464 0 1 FIAF O=C1Nc2cccc3c2[C@@]1(CCCCN1CCc2ccccc2C1)CCC3 13817848 PUBJWCSGOQBHSX-XMMPIXPASA-N 360.501 4.441 0 1 FIAF O=c1c2cc(F)c(-c3ccc(O)cc3)cc2n(C2CC2)c2snc(O)c12 28571322 DBHRNNUAKNLSTN-UHFFFAOYSA-N 368.389 4.163 0 1 FIAF COc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 29346213 DLXPIJHVVDJDNU-UHFFFAOYSA-N 353.784 4.296 0 1 FIAF CCCNC(=O)C1=C(C)Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 34337329 MZEOZHLMYVJVFI-MRXNPFEDSA-N 365.264 4.005 0 1 FIAF CNC(=O)c1cc(Nc2ccc(-c3nc4ccccc4s3)cc2)ccn1 40866956 PZXJFNOGRSYDFV-UHFFFAOYSA-N 360.442 4.462 0 1 FIAF c1cc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)ccn1 45202087 LNZUINBTHWQYEO-UHFFFAOYSA-N 351.460 4.336 0 1 FIAF O=C1CC[C@@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)C(=O)N1 45366660 WUBSVPCBLIOINU-LBPRGKRZSA-N 364.228 4.381 0 1 FIAF Cc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)cc1 49113124 MARFDSQKYAEORK-UHFFFAOYSA-N 360.442 4.238 0 1 FIAF O=C(Nc1ccccc1Cl)c1cnn2ccc(N3CCCCC3)cc12 49785807 PFALDTPRRXJEOO-UHFFFAOYSA-N 354.841 4.230 0 1 FIAF Nc1ncnn2c(C3CCC3)nc(-c3ccc(Cc4ccccc4)cc3)c12 96168306 ONIJXFFMUVCJQL-UHFFFAOYSA-N 355.445 4.232 0 1 FIAF Oc1ccc2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2cccc[n+]21 100722127 SIAPMUSRZHXEFY-VXKWHMMOSA-O 356.401 4.290 0 1 FIAF CCC(=O)N1[C@H]2CC[C@H]1[C@@H]1CC[C@@H]2N1C/C=C/c1cccc2ccccc12 100817554 RLLOCRZIVJPXPL-QCPAZKHBSA-N 360.501 4.469 0 1 FIAF CCC/N=c1\c(NC(=O)c2ccccc2OCC)c(O)oc2ccccc12 103537686 RLRXRBXIQBLDCD-PYCFMQQDSA-N 366.417 4.100 0 1 FIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C#N 117381984 KOBRJNRHIIDYMK-SFHVURJKSA-N 361.401 4.042 0 1 FIAF CC(C)C1=CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)O)C[C@@]42CN(C)C1 238745490 SHYGGXWYZBUGDF-MTQFPVNUSA-N 371.521 4.086 0 1 FIAF COC(=O)[C@H]1[C@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2Cc1ccccc1 253694046 AOTHPBKOMYVVMW-MHTWAQMVSA-N 353.437 4.135 0 1 FIAF Oc1c(F)cc(-c2cnccc2-c2cccc(N3CCOCC3)c2)cc1F 473089026 JXGRDWXLVXGFGC-UHFFFAOYSA-N 368.383 4.236 0 1 FIAF CC(C)COc1cc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2cc1Br 586899847 UEGLNZQBZKVCGW-TXEJJXNPSA-N 367.287 4.379 0 1 FIAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586906126 JRBBLJPCBWFRRF-MRVPVSSYSA-N 366.261 4.410 0 1 FIAF COC(=O)[C@@H](N=O)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586996450 NRHNYYLSWRWCBV-IBGZPJMESA-N 360.369 4.044 0 1 FIAF Fc1cc(Br)cc2nc(-c3csc4c3CCOC4)[nH]c12 587032098 PFLWHBROUZDPDW-UHFFFAOYSA-N 353.216 4.266 0 1 FIAF CCS(=O)(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2c1 587034194 QUPAVOSNJNYPLT-NSHDSACASA-N 360.504 4.210 0 1 FIAF CC(C)Oc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587040969 KXKIOLOVVIVZFM-RBUKOAKNSA-N 353.491 4.296 0 1 FIAF CCOC(=O)Cc1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O 587097831 OHLBDXCHZCCUJI-UHFFFAOYSA-N 359.425 4.423 0 1 FIAF COC(=O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c[nH]1 587106035 KZEUCAVGALFIRM-UHFFFAOYSA-N 354.365 4.228 0 1 FIAF O=C(NCc1nc2cccc(Cl)c2[nH]1)c1cccc(C(F)(F)F)c1 587111070 IIEUGXBKRVGFOZ-UHFFFAOYSA-N 353.731 4.165 0 1 FIAF NC(=O)c1cccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128238 JRGXVAVPLLFATN-UHFFFAOYSA-N 370.384 4.390 0 1 FIAF NC(=O)c1cccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587148717 FIAHHKNAHUVJRE-LJQANCHMSA-N 360.392 4.002 0 1 FIAF COc1cc(-c2nc3cnc4ccccc4c3[nH]2)nn1-c1ccccc1F 587156488 ORWDKYNELKGUHB-UHFFFAOYSA-N 359.364 4.112 0 1 FIAF Oc1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182459 GFHCFEWFMXUZPR-UHFFFAOYSA-N 370.577 4.194 0 1 FIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccc(F)c3[nH]2)c1 587202702 GORXHYDTJUUBQV-UHFFFAOYSA-N 354.385 4.219 0 1 FIAF Cc1cccc(NC(=O)Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c1C 587238873 GTMZVYJIGARUIX-UHFFFAOYSA-N 363.339 4.260 0 1 FIAF COC(=O)Nc1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 587243437 LKBIBAIXDGTOEQ-UHFFFAOYSA-N 364.174 4.310 0 1 FIAF CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587400917 SKSXRIGUHFTDOR-OAQYLSRUSA-N 355.434 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccccc4Cl)c1)[C@@H](C2)C3=O 587417251 AXONNANHQQLEPF-XOBRGWDASA-N 366.804 4.023 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c3c(c1)OCCO3)CC2=O 587458659 BGZYHXCMYBFPMK-KRWDZBQOSA-N 374.820 4.476 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(O)c(Cl)cc31)CC2=O 587459542 FDDWYXJIEOEVRW-FQEVSTJZSA-N 374.820 4.347 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)cc(Cl)cc21 587462988 SIRKWENVTHLBSZ-FQEVSTJZSA-N 371.820 4.119 0 1 FIAF O=C1CC(c2nccs2)(c2nccs2)Oc2c1ccc1c2CCCC1 587535585 MGXRKBQOTIFAJE-UHFFFAOYSA-N 368.483 4.387 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2ncccc12 587585930 IQJSKUYWUQDTFF-WIYYLYMNSA-N 370.364 4.038 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cn(C)nc3c2)N1 587757306 GYWSNXVVXMDVAY-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF CCOc1ncccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587771459 LUHTVNCIGOFQCT-QFYYESIMSA-N 365.246 4.006 0 1 FIAF COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587810739 UIMDFUYEAVRSQP-QGHHPUGFSA-N 350.231 4.220 0 1 FIAF COc1cccc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873573 HQXKRVIVODIXMZ-NSHDSACASA-N 354.337 3.911 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)Cc1ccc(F)cc1Cl 963629417 BFROQCIKFGYEGE-FKIZINRSSA-N 363.860 4.488 0 1 FIAF CC(C)C[C@@H](NC(=O)/C=C/c1ccccc1)NC(=S)Nc1ccccc1 1772618096 DMZAMUQQHXNFAM-KQDNUWKFSA-N 367.518 4.175 0 1 FIAF O=C(CCCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1Cl 1911581582 KYNFWFZZNSOMKQ-UHFFFAOYSA-N 364.272 4.244 0 1 FIAF Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)cn1 11714660 XIYRVWHVDJWNBZ-MRXNPFEDSA-N 356.853 4.087 0 3 FIAF O[C@H](Cc1ccc(Br)cc1)CN1CCC(c2ccccc2)CC1 1628490 JWLITFDJHOZOEK-HXUWFJFHSA-N 374.322 4.232 0 1 FIAF Cc1noc(C)c1CN(C(=S)N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccccc1 6328750 VVZGPQIKDROWTH-GJYPPUQNSA-N 355.507 4.361 0 1 FIAF CCCN(CC(F)(F)F)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1 14968332 FGBGPAILFPJZLS-UHFFFAOYSA-N 352.278 4.326 0 1 FIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC[C@H](C)C3=O 25973334 SGNDCZSMFXEQAV-NSHDSACASA-N 354.402 4.141 0 1 FIAF Cn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccccc3)nc21 28131680 UWVTXHPSMSGHCL-UHFFFAOYSA-N 364.355 4.017 0 1 FIAF Nc1nccc(-c2c(-c3ccc(F)cc3)nn3cc(C(F)(F)F)ccc23)n1 34045128 JQUJTXXKVLSAEV-UHFFFAOYSA-N 373.313 4.198 0 1 FIAF CCC[C@H](C(=O)O)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 34801879 JGNJABZIGHTRNB-MRXNPFEDSA-N 352.839 4.034 0 1 FIAF in-vivo N#Cc1cc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)ccc1OCC1CC1 118274863 AINOYXCGCCTXMC-LJQANCHMSA-N 372.428 4.010 0 1 FIAF COC(=O)/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C\[C@]2(C)OC(=O)C(C)=C2CC1 169339237 FHHKQTZHOLIJSW-LEAJBXDQSA-N 374.477 4.176 0 1 FIAF CCOc1ccc(C2([C@H](CC(C)C)NCCOC(=O)CC)CCC2)cc1 199945785 GAWYDFHTJQSNCE-FQEVSTJZSA-N 361.526 4.465 0 1 FIAF COc1ccc(C=O)c2cc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)oc12 586902613 APPJTZCOSFYXHW-UHFFFAOYSA-N 362.172 4.499 0 1 FIAF Cc1cc(Br)ccc1OCc1nc2c(F)cnc(Cl)c2[nH]1 586982039 YORMGFGMAZMYQL-UHFFFAOYSA-N 370.609 4.400 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587097594 LPJYOIOASJLSFL-UHFFFAOYSA-N 351.303 4.090 0 1 FIAF COc1cc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2cn1 587122093 PXLCTJMVTWWISW-UHFFFAOYSA-N 374.322 4.389 0 1 FIAF Cc1c(-c2cc3c4c(cccc4n2)CC3)nnn1-c1cccc2ncccc12 587211050 KNGFLWIXAVHCKI-UHFFFAOYSA-N 363.424 4.438 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cccn3)c(Cl)c1)O2 587377184 VDXNAYYJPXTULD-SFHVURJKSA-N 353.809 4.123 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccccc3)[nH]c1Cl)O2 587380513 VPOCUQWYMPZBGK-OAHLLOKOSA-N 353.809 4.327 0 1 FIAF CCCCOc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587400702 NMXBOVWDEWBMHU-IBGZPJMESA-N 355.434 4.471 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(F)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O 587420302 FJHVTZCWCNHWPO-SUMWQHHRSA-N 368.282 4.222 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1F)[C@@H](C2)C3=O 587421603 QFVBAODQYKLRSZ-YVEFUNNKSA-N 352.283 4.342 0 1 FIAF COc1cc2c3c(c1)OC1(CCN(c4ccccc4Cl)CC1)[C@@H](C2)C3=O 587422708 ZETBSPPODIUSHT-HNNXBMFYSA-N 369.848 4.135 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc4cc(N(C)C)ccc4c1)[C@@H](C2)C3=O 587430105 RDWQFYHPECQONY-WMZHIEFXSA-N 359.425 4.403 0 1 FIAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440146 APMWGYNUOFIHGQ-FOUBCARRSA-N 350.414 4.014 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N(C)C(C)=O)c1)CC2=O 587468515 IZXCGCXPRLZZDY-QFIPXVFZSA-N 367.445 4.208 0 1 FIAF Cc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587586646 JDJIYJVWFGKMIM-UGKGYDQZSA-N 361.397 4.059 0 1 FIAF CCc1cc(O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609701 PDYWLICELLMOKO-KNQAVFIVSA-N 362.381 4.363 0 1 FIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(F)cc1 587622689 RLBZGQPTECLPII-UHFFFAOYSA-N 372.197 4.485 0 1 FIAF Cc1cccc2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n12 587773481 JCXITYWEUDHXSL-XTZNXHDOSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3o2)N1 587779120 QGUDVZMYUOAWQX-XXFAHNHDSA-N 361.214 4.353 0 1 FIAF COc1ccc(OC)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1OC 587798341 UXILEOJMMPKXAX-UHFFFAOYSA-N 370.302 4.414 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccnc3[nH]2)N1 587805373 UDLCMGMKYRFRNR-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2C(C)(C)C)N1 587808371 ZDLVNXJAZVARIV-VFZGTOFNSA-N 366.278 4.232 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(O)ccc32)N1 587834694 SVWYTESFNGFOMG-XTZNXHDOSA-N 362.242 4.018 0 1 FIAF Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@H]1CCc2ccccc2O1 653837763 ABPFJJGEOBFFPG-OAQYLSRUSA-N 362.404 4.407 0 1 FIAF C[C@]1(COc2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693469 CMKHCOAMLHQRHH-IERDGZPVSA-N 357.494 4.484 0 1 FIAF Cc1ccnc2c1CCN[C@H]2c1ccn(-c2ccc(Br)cc2)c1 963087051 KWNWJDQBEICYOX-SFHVURJKSA-N 368.278 4.178 0 1 FIAF Cc1ccc(Cn2cc([C@H]3NCCc4cc(Cl)ccc43)ccc2=O)cc1 963390646 MJSGRPPDYDPYBR-JOCHJYFZSA-N 364.876 4.094 0 1 FIAF O[C@]1(Cc2cc(-c3cn[nH]c3)on2)CC[C@H](Cc2ccc(Cl)cc2)CC1 1772582320 CLYRNYIXMLBOSD-GSXCWMCISA-N 371.868 4.425 0 1 FIAF O=C(CCCCCNCc1ccc(O)c2ncccc12)Nc1ccccc1 1857609004 UPYVBDNVXUYPAK-UHFFFAOYSA-N 363.461 4.229 0 1 FIAF CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccccc2N)C1 2356448552 HKHOXKLGGSDMQO-PSBKLILYSA-N 357.494 4.338 0 1 FIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)N(C)[C@@](C)(CC[C@@H]21)C3 36387863 OFWQOFUKQKBZTE-RHSMJXSCSA-N 361.526 4.173 0 3 FIAF O=c1[nH]c(=S)[nH]c2c1[C@H](CCc1cccc(Cl)c1)O[C@H](C1CC1)C2 95568461 RFZKHTOHKUDOEK-GJZGRUSLSA-N 362.882 4.111 0 3 FIAF COc1ccc(-c2cccn([C@@H](CN3CCCC3)c3ccccc3)c2=O)cc1 13436598 FFTCTZCOJYMKCU-QHCPKHFHSA-N 374.484 4.209 0 1 FIAF COc1ccc(Oc2ncccc2C(=O)NCc2ccccc2Cl)cc1 28464994 UFVAJULYYUROPZ-UHFFFAOYSA-N 368.820 4.466 0 1 FIAF COc1cccc(C(=O)NC2CCN(Cc3ccc4ccccc4c3)CC2)c1 36351812 KLBKMOWGOLIVSD-UHFFFAOYSA-N 374.484 4.243 0 1 FIAF COc1cc(CN2c3ccc(OC(C)=O)cc3C=CC2(C)C)cc(OC)c1 45300473 VXDIKVXIOOEZEQ-UHFFFAOYSA-N 367.445 4.441 0 1 FIAF CCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2ccc(C)nc21 66078401 FTRMDCHMYQFLNJ-UHFFFAOYSA-N 369.509 4.348 0 1 FIAF CC[C@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc(C)c1 82146459 PFACRMACOIXUOL-KRWDZBQOSA-N 366.509 4.217 0 1 FIAF Clc1ccc(CNc2nc(Nc3ccccc3)c3nc[nH]c3n2)cc1 89455088 QNAJQAQCTYIVPY-UHFFFAOYSA-N 350.813 4.362 0 1 FIAF O=C(Nc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccncc1 96914933 CBGRFZPXERLBDX-UHFFFAOYSA-N 355.397 4.461 0 1 FIAF C[C@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N(C)C 103176977 IWNYJIIPZHXPNO-JTQLQIEISA-N 355.221 4.036 0 1 FIAF Fc1ccc2c(c1)c1c(n2CCCOc2cccc(F)c2F)CCNC1 169350527 OVRPGEMYKPGVBY-UHFFFAOYSA-N 360.379 4.173 0 1 FIAF CO[C@H]1C/C(=C\C[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]23)C(=O)O1 238753382 MRXKWDQPIXXGBB-DSEIHDFMSA-N 362.466 4.086 0 1 FIAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(Br)c(F)cc2[nH]1 587059395 RKPRIHWBJLVBAG-LBPRGKRZSA-N 368.637 4.360 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc12 587127061 QXJGRMLRSGYGCI-APPZFPTMSA-N 370.766 4.091 0 1 FIAF O=C1c2ccc(O)cc2OC2(CC3(CCOCC3)C2)[C@@H]1c1ccc(F)cc1 587355541 DTDQKTMVZGQVBH-LJQANCHMSA-N 368.404 4.220 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OC(F)(F)F)c1)O2 587381487 FUSCOSREYGSTGP-QGZVFWFLSA-N 351.324 4.356 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1N[C@H]1c1ccccc1)O2 587401535 SCHZSQFEEHBOAL-XWGVYQGASA-N 370.452 4.151 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)OCc1ccccc1)CC2=O 587478477 JZAGQLDYZUWANL-JOCHJYFZSA-N 368.429 4.202 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)CC[C@H]1C(=O)OC 587480028 MYCXALGFARWEAU-YCRPNKLZSA-N 360.450 4.048 0 1 FIAF CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1 587500359 OETNIKXBMULKTM-QGZVFWFLSA-N 356.853 4.386 0 1 FIAF Cc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587588110 OYTUMROLCMDKEE-ICSRJNTNSA-N 361.397 4.059 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)cc(F)cc2F)N1 587720138 MSDFGFGLCXPKIQ-GYKQLYQFSA-N 371.200 4.072 0 1 FIAF CC[C@]1(c2cccc(N)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587747045 OUKYHSMJPABGAA-BBATYDOGSA-N 363.274 4.358 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(O)CCCCC2)N1 587824292 ZNPZBZYKDCYJHT-BZNIZROVSA-N 356.279 4.033 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1cc(F)c3[nH]ccc3c1)N(C)[C@H](C)C2 962625766 JWLKNQJPZADINO-GTJPDFRWSA-N 354.425 4.290 0 1 FIAF O=C(O)c1cccc2c1CCN[C@@H]2c1ccc(-c2ccc(F)cc2)s1 963135143 XCNLPZHUASRYIU-IBGZPJMESA-N 353.418 4.488 0 1 FIAF CN1CCc2c(Br)cccc2[C@]12CCOc1ccccc1C2 963281652 UHVYWJJWIYUOGH-LJQANCHMSA-N 358.279 4.158 0 1 FIAF C[C@]1(c2ncc(Br)cc2F)NCCc2cc(Cl)ccc21 963381077 OVYLKOMCJBSBBD-HNNXBMFYSA-N 355.638 4.046 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1cc2cc(F)ccc2[nH]1 963613091 TYVXTAGJIADUOH-QKVFXAPYSA-N 354.425 4.122 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(OC)cc3)[C@@H]2O)cc1 1772570671 BGQXRKQECQXVNM-DHIUTWEWSA-N 374.440 4.030 0 1 FIAF CC(=O)Nc1ccc(Nc2ccc(F)c(Cl)c2)c2cc(C(=O)O)[nH]c12 2382248950 OJHODSKSRRSKQP-UHFFFAOYSA-N 361.760 4.361 0 1 FIAF CC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 14968419 UORGJVLZISAFQQ-UHFFFAOYSA-N 352.278 4.324 0 1 FIAF O=C(/N=c1\[nH]c2ccccc2n1Cc1ccccc1Cl)c1ccco1 66139718 ZBSKZZFHICILFZ-UHFFFAOYSA-N 351.793 4.005 0 1 FIAF CCCCCc1nc(-c2cnc(NCCOC)nc2-c2ccco2)oc1C 82166288 JSUKFYVIEWROJJ-UHFFFAOYSA-N 370.453 4.491 0 1 FIAF COc1cc(/C(=C\c2cccc3ccccc23)C(=O)O)cc(OC)c1OC 95586518 LHOBPAWQCGDJGK-WOJGMQOQSA-N 364.397 4.491 0 1 FIAF CC[C@@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100799500 HRZJJXGXZVSRIB-GRDNDAEWSA-N 353.915 4.379 0 1 FIAF COc1cccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)c1 103261669 SNXQWFNOQWGART-UHFFFAOYSA-N 374.448 4.192 0 1 FIAF O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 169350869 KCYOCCOLGUUYQZ-LEWJYISDSA-N 365.452 4.138 0 1 FIAF Clc1ccc(-c2csc(-c3ccnc(N4CCOCC4)c3)n2)cc1 261367601 YFPVQJKSMNWVDE-UHFFFAOYSA-N 357.866 4.362 0 1 FIAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN(C)C3CCCCC3)[C@@H]2CC1 299811017 LJDGBKUPVMTSBA-SPNOPHAYSA-N 361.526 4.087 0 1 FIAF O=C(O)c1ccccc1/C=C\c1nc2cc(F)cc(Br)c2[nH]1 586880287 PDYACOQYKJTINC-WAYWQWQTSA-N 361.170 4.333 0 1 FIAF COc1ccc2nc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)sc2c1 587035433 QBZZVLJUZXUPQV-UHFFFAOYSA-N 353.300 4.405 0 1 FIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587068660 ATEIYQQMNMZDKT-SECBINFHSA-N 355.656 4.203 0 1 FIAF Fc1cccc([C@@H]2C[C@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1F 587149785 BEDKKMBTSAQEDS-JGVFFNPUSA-N 368.156 4.409 0 1 FIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 587195033 AAYGPXGHJRRLEJ-UHFFFAOYSA-N 373.844 4.305 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Cn3ccnc3)c1)CC2=O 587469421 DXSBODCHYAPIMM-OAQYLSRUSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)NCC)CC2=O 587472148 XPFIRGABSJFALJ-OYHNWAKOSA-N 353.462 4.203 0 1 FIAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587523391 IRQCNHNJWXQNJZ-JOCHJYFZSA-N 352.430 4.463 0 1 FIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)N(C)Cc1cccc(Cl)c1 587639220 YBDVXDMXPFVQCE-UHFFFAOYSA-N 356.809 4.100 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnccc2Cl)N1 587693103 CQSXBVDYZPIUNR-ANRSDYALSA-N 355.638 4.260 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(F)c2)N1 587730166 IWPAHMXXVLTTBI-BCTVWOGZSA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2N)N1 587731942 MCKXIEDZHNPLQR-XLFHBGCDSA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3o2)N1 587779117 QGUDVZMYUOAWQX-FVMDXXJSSA-N 361.214 4.353 0 1 FIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587929424 JLOOGGFAUMNLEW-SZNDQCEHSA-N 350.418 4.178 0 1 FIAF CCN1CCN([C@@H]2c3ccccc3-c3ccc(Br)cc32)CC1 653701722 SQQYRJKZRCOGDQ-LJQANCHMSA-N 357.295 4.156 0 1 FIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1csc(-c2ccncc2)n1 963114672 WDUUAQMJNLYCGM-APWZRJJASA-N 351.450 4.454 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1nc2cc(F)ccc2s1 963609166 MJMZAYYFPLSVEO-MLCYQJTMSA-N 358.438 4.076 0 1 FIAF COc1ccc2c(c1)sc1nc(Cl)c(Cc3ccccc3)c(=O)n12 1857755077 WDUSRLAYFMQBTK-UHFFFAOYSA-N 356.834 4.162 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@@](C)(CO)CCC[C@]12C 2356769758 MMJMGOIGFQALOP-RQXATKFSSA-N 350.499 4.012 0 1 FIAF Cc1cc(C)c(-n2c(SCCCC(=O)O)nc3cccnc32)c(C)c1 2382227958 CSKCPZSBRQTUOQ-UHFFFAOYSA-N 355.463 4.303 0 1 FIAF O=C(NC1CCCCCCC1)[C@H]1c2ccccc2C(=O)N1Cc1ccco1 2912873 CZHKNIVNMCJKFB-HXUWFJFHSA-N 366.461 4.206 0 3 FIAF Brc1ccc(Cn2ccc3nc(-c4ccccn4)nc-3c2)cc1 3937406 FOVRJCQLIIJMBZ-UHFFFAOYSA-N 365.234 4.256 0 1 FIAF COc1cc(O)c(C(=O)c2ccccc2)c2oc(=O)cc(-c3ccccc3)c12 13376320 QZSUHARGUIOEMN-UHFFFAOYSA-N 372.376 4.405 0 1 FIAF biogenic COc1cc(-n2cncc2-c2ccc3c(ccn3C)c2)cc(OC)c1OC 13473117 IATHJPSSIWGXEY-UHFFFAOYSA-N 363.417 4.057 0 1 FIAF Cc1nc2n(c1C)N=C(c1ccc(Cl)cc1)c1cc3c(cc1C2)OCO3 13647810 CYGWKVYTOAHANW-UHFFFAOYSA-N 365.820 4.087 0 1 FIAF CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651094 IZUUAYYOAIIPNW-QHCPKHFHSA-N 371.480 4.420 0 1 FIAF COc1c2c(cc3c1[C@H]1Oc4cc(O)ccc4[C@@H]1CO3)OC(C)(C)C=C2 14613201 OHJQLSXZAOJGEK-XOBRGWDASA-N 352.386 4.195 0 1 FIAF biogenic CCCCC[C@H](O)CCCCC[C@H](Cc1cc(O)cc(O)c1)OC(C)=O 14772337 IYNSMFCFWBKXEB-GHTZIAJQSA-N 366.498 4.464 0 1 FIAF biogenic CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C\C[C@@H]21 40465099 ABTCSIQGTDHHEP-GXJNBSBFSA-N 364.526 4.159 0 1 FIAF O=C(C(=O)N1CCc2cc(Cl)ccc21)c1c[nH]c2ccc(Cl)cc12 43066567 CJHHELAEUASCSK-UHFFFAOYSA-N 359.212 4.247 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(F)cc2)n1 82139439 PNCURBSBIDRMQY-CQSZACIVSA-N 358.461 4.221 0 1 FIAF COc1ccc2c(c1)c1ccccc1n2S(=O)(=O)c1ccc(C)cc1 96937728 PHUIVXWIINRBJQ-UHFFFAOYSA-N 351.427 4.349 0 1 FIAF Fc1ccccc1-c1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)C[C@@H]2N3)cc1 100107659 YOBJBXSZBMQTLF-BKFWDETESA-N 358.460 4.433 0 1 FIAF CC(C(=O)OCCCN1CCCCC1)(c1ccccc1)c1ccccc1 103290716 LKIIQLHDROVJLC-UHFFFAOYSA-N 351.490 4.412 0 1 FIAF C[C@](O)(c1ccc2ncccc2c1)c1cnc2ccc(-c3ccccc3)nn12 139666529 FKWCZFBOGNJIFW-QHCPKHFHSA-N 366.424 4.200 0 1 FIAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1/C=C/[C@@H](O)C1CCCCC1 195220833 CEHGUSRXHYTTPN-OKVBLBDCSA-N 362.510 4.479 0 1 FIAF C[C@@](O)(c1cncc(-c2nc3ccc(F)cn3c2C2CC2)c1)C(F)(F)F 204961043 OWGUKRPUVVBJPH-QGZVFWFLSA-N 365.330 4.183 0 1 FIAF CCn1cc(Br)c(Cc2nc3cc(Cl)cc(C)c3[nH]2)n1 587002263 YDMCUQILJVXTHL-UHFFFAOYSA-N 353.651 4.094 0 1 FIAF Brc1cncc2nc([C@H]3SCCc4sccc43)[nH]c12 587036454 BTKPJGBAOHCMOX-LBPRGKRZSA-N 352.282 4.161 0 1 FIAF COc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(Cl)c1O 587046266 OPFPIULOVCMTCC-UHFFFAOYSA-N 358.703 4.496 0 1 FIAF Cc1nn(-c2cccc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)c(C)c1Cl 587065615 UATJHSTZZNJBOI-UHFFFAOYSA-N 366.808 4.384 0 1 FIAF COC(=O)c1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587077122 QIELGWJHIDAKMS-KRWDZBQOSA-N 369.852 4.340 0 1 FIAF COc1ccc(NC(C)(C)c2nc3cc(Br)cnc3[nH]2)cc1 587200848 ALAZHQOWCVZRRE-UHFFFAOYSA-N 361.243 4.076 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4Cl)no1)[C@@H](C2)C3=O 587418020 GLJXYDSKCGDZST-RNODOKPDSA-N 367.788 4.492 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(C)C)cc1)[C@@H](C2)C3=O 587441992 NLPOIIKTPXFYFX-AVRDEDQJSA-N 352.430 4.393 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)nc1)CC2=O 587477982 YRYKHPKLOVZLSO-IBGZPJMESA-N 352.434 4.046 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1[nH]c(C)c(C(C)=O)c1C)CC2=O 587480855 FWWSNGFEYBRQON-OAQYLSRUSA-N 355.434 4.373 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)C(=O)OC)CC2=O 587481655 RFKVCYUAERUYAJ-FPTDNZKUSA-N 368.429 4.015 0 1 FIAF O=C1C[C@@]2(CCCc3occ(C(=O)O)c32)Oc2c1ccc1c2CCCC1 587534030 UWMVPBKTYWUFFD-OAQYLSRUSA-N 352.386 4.054 0 1 FIAF CCO/C=C/[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587720850 ODVZVRPPLIDVNR-IXFKRMQZSA-N 364.205 4.133 0 1 FIAF COc1ccc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587721921 WQTFVMFFBQPYCY-XYZCENFISA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(O)ccc2F)N1 587722738 ZVLFLBKODBEJNS-HUTHGQBESA-N 368.221 4.231 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Cl)c2F)N1 587727625 OPXZFEUHFWHAIT-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(F)cc32)N1 587734895 SKAUQCKCGQLAOI-XTZNXHDOSA-N 364.233 4.451 0 1 FIAF CC(C)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 587771282 BUBLIVIGEDURPK-BJOHPYRUSA-N 353.235 4.323 0 1 FIAF COc1ccc(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)cc1O 587785568 BZGYDWZNKIWSIK-UHFFFAOYSA-N 372.384 4.193 0 1 FIAF CCC[C@]1(CC(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587813349 BUXISVHHIWJPRF-ADLMAVQZSA-N 368.290 4.487 0 1 FIAF Cc1ncsc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587855287 UIYVATVRECOAGU-GLEZIHRCSA-N 355.276 4.151 0 1 FIAF Cc1cc2c(cc1F)[C@](c1cccnc1)(c1ccc(F)c(F)c1)NCC2 962375407 MYIAGQWYQOMDON-OAQYLSRUSA-N 354.375 4.245 0 1 FIAF C[C@@H]1CCCCN1C(=O)C[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963110482 PULWSYFYOXMQSE-XIKOKIGWSA-N 355.309 4.145 0 1 FIAF CCOC(=O)C[C@@]1(c2cccs2)NCCc2c(Cl)cc(Cl)cc21 963115398 AEOBRAGGLYRJDZ-QGZVFWFLSA-N 370.301 4.397 0 1 FIAF C=CC(=O)Nc1cccc(CNc2cc(Nc3ccc(F)cc3)ncn2)c1 1857602039 LBBSGHVXVSKJLW-UHFFFAOYSA-N 363.396 4.096 0 1 FIAF FC(F)(F)c1cccc(-c2nc3cc(Nc4ncccn4)ncc3[nH]2)c1 1857645627 SZCCVZWCQRZBRU-UHFFFAOYSA-N 356.311 4.177 0 1 FIAF COC(=O)C(=O)Nc1cc(C)c(Oc2ccc(OC)c(C(C)C)c2)c(C)c1 2391840 ATYBXSKDTHKVEM-UHFFFAOYSA-N 371.433 4.339 0 1 FIAF CN(C)Cc1ccc(COC(=O)C2c3ccccc3Oc3ccccc32)o1 13602048 JKYOCAOCZISWEE-UHFFFAOYSA-N 363.413 4.322 0 1 FIAF CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC[C@@H]2C/C=C\CCCC(=O)O)CCC1 13837205 RHDMZEUUDSELOB-MVFPXBJFSA-N 364.526 4.462 0 1 FIAF CC(C)(CCCOc1ccc(OCCCC(C)(C)C(=O)O)cc1)C(=O)O 25975791 CJNZDBIXYDLGBC-UHFFFAOYSA-N 366.454 4.226 0 1 FIAF C[C@@H](CO)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=S)OC[C@@]4(C)[C@@H]3CC[C@]21C 27897707 JIAXPKPFEUBJEA-RSWOKULTSA-N 365.583 4.089 0 1 FIAF CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@@H]1N1CCCCC1 28125000 NOCRNQQODVOMER-NRFANRHFSA-N 366.461 4.018 0 1 FIAF CCOC(=O)c1ccc(-c2nn(Cc3cccnc3)c3ccccc23)cc1 29064256 AVYGAEKPVHZMFB-UHFFFAOYSA-N 357.413 4.323 0 1 FIAF CC(C)c1cc(Sc2c(Cl)cc(CC(=O)O)cc2Cl)nnc1O 34842579 URNDNHCCRPRCLG-UHFFFAOYSA-N 373.261 4.391 0 1 FIAF CC[C@H](Cn1ccc(C(F)(F)F)n1)OC(=O)Nc1ccc(F)cc1F 40937517 FAQARLHHEFHRBT-SNVBAGLBSA-N 363.286 4.207 0 1 FIAF O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3ccncc3n2O)cc1 45284398 IIMSVAAJMMIJIH-XCVCLJGOSA-N 374.375 4.127 0 1 FIAF O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1C(=O)NCC1CC1 45314928 VPDWLTLORANIAR-CVEARBPZSA-N 369.292 4.265 0 1 FIAF COc1cccc(-c2cncc(-c3cc4c5c(c3)CCN5C(=O)CC4)c2)c1 71315800 RBEZGIYFUKMKHM-UHFFFAOYSA-N 356.425 4.260 0 1 FIAF Cc1ccc(Cn2cnc(C(=O)N(C#N)CCCc3ccccc3)c2C)cc1 82151296 NCEZWTXGTTUPIO-UHFFFAOYSA-N 372.472 4.104 0 1 FIAF O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2)cc1 95585322 JNMANBHAWSQRJA-UHFFFAOYSA-N 373.861 4.300 0 1 FIAF CSc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 113339334 NGHLZEZXRFLFJC-GOSISDBHSA-N 352.507 4.361 0 1 FIAF c1ccc(CNc2nccnc2Oc2ccc(Nc3ccccn3)cc2)nc1 139164211 BLKVDSLXXIDWRS-UHFFFAOYSA-N 370.416 4.415 0 1 FIAF Clc1ccc(-c2nc(Cc3ccccc3)no2)c(OC2CCNCC2)c1 206092170 RPXNGZYCGQJGOU-UHFFFAOYSA-N 369.852 4.112 0 1 FIAF N[C@H](N=O)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586980525 VRZYPICPGZEUME-CYBMUJFWSA-N 365.618 4.370 0 1 FIAF Cc1nn(C)c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986390 AVADUMIBJZCCDL-UHFFFAOYSA-N 355.397 4.169 0 1 FIAF CCOC(=O)[C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586990356 DBKXPILDANFOMP-CQSZACIVSA-N 373.408 4.135 0 1 FIAF Fc1cc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2cc1Br 587016321 JWYSNYUQNYBEMQ-LBPRGKRZSA-N 368.231 4.440 0 1 FIAF CCc1cc(OCc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)ccc1Cl 587052511 CZZBZSCYFZFHKD-UHFFFAOYSA-N 374.824 4.153 0 1 FIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)c(F)cc4[nH]3)cc2N1 587122188 AMSZWLPQLAQOGJ-SREIQFSDSA-N 357.286 4.012 0 1 FIAF N[C@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(F)cc1F 587148813 AHEQADYAHQFZCA-IBGZPJMESA-N 365.383 4.468 0 1 FIAF Fc1cc(Br)cnc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587155775 RUWAPPRQRCZKSR-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)cc(Br)c1O)O2 587378157 SCYBNZMONPQWJE-HNNXBMFYSA-N 362.223 4.060 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)cc(Br)c1F)O2 587381385 IKCLXGAVUHAUCT-HNNXBMFYSA-N 364.214 4.494 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccn(Cc3ccccc3)n1)CC2=O 587475008 JTDKCRKWKRYULB-NRFANRHFSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1[C@@H]1CCCN1C)CC2=O 587476502 PHLNNAFMIKYWAR-KGVIQGDOSA-N 357.494 4.333 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OCC)C[C@@H]1C)CC2=O 587481666 RGMGQLUAJXJACW-DGCWBMGLSA-N 360.450 4.048 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(F)c1O 587557855 PHOSFWDBQPQUSD-FOIQADDNSA-N 370.307 4.079 0 1 FIAF Cc1cccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n[nH]c12 587591302 CCOKHYIJOCNGOQ-VGSWGCGISA-N 372.380 4.280 0 1 FIAF CCc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Br)cc1 587637066 UPKMDGDQXPTHBO-UHFFFAOYSA-N 372.218 4.422 0 1 FIAF COc1cc(C)ccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587924926 HESHXAGESIPQOY-UHFFFAOYSA-N 361.195 4.008 0 1 FIAF O=C1COc2cc3[nH]c(Cc4ccccc4Oc4ccccc4)nc3cc2N1 587951347 YPVXJURPDIPAGV-UHFFFAOYSA-N 371.396 4.277 0 1 FIAF CCN(CC)CCCN=c1[nH]c(/C=C/c2cccs2)nc2ccccc12 1857617240 HFCRPHDXRGIYMT-OUKQBFOZSA-N 366.534 4.427 0 1 FIAF Cc1ccc(C)c(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 1857617913 NXYPCZCZGOBXRM-DEOSSOPVSA-N 369.468 4.210 0 1 FIAF C=CC(=C[C@]1(C)CCCC(C)(C)C1)[C@H]1[C@H]2OC(=O)C[C@H]1[C@H](OC(C)=O)O2 2356466457 GXSYTMVMFKTOPV-LGOLQKBTSA-N 362.466 4.130 0 1 FIAF NC(=O)c1ccc2c(c1)[C@@H](NCc1ccccc1)CC1(CCCCC1)O2 763113 ZVALHZUVZOLLAF-IBGZPJMESA-N 350.462 4.102 0 1 FIAF Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1ccc(F)cc1F 2926432 YALSETDWWHEJIG-UHFFFAOYSA-N 355.388 4.238 0 1 FIAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2Cc1ccc(Cl)cc1 6917810 XZGAARKTWJOYHQ-UHFFFAOYSA-N 363.848 4.412 0 1 FIAF CCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12 13489656 AWINCECFBWDQTG-UHFFFAOYSA-N 357.417 4.426 0 1 FIAF COc1cccc(CCN[C@H]2CCCc3c2ccc(=O)n3CC=C(C)C)c1 13743312 MQVSWHLTWWHNRD-NRFANRHFSA-N 366.505 4.033 0 1 FIAF C[C@@H]1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2)CC1 13860159 YZIQGQQLUDYLKK-QGZVFWFLSA-N 366.480 4.406 0 1 FIAF COc1ccccc1Nc1nnc(-c2cccnc2CCc2ccncc2)o1 14946603 UVZTZNILZOCDMT-UHFFFAOYSA-N 373.416 4.064 0 1 FIAF OCCCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 26249325 ROJBEJDCJFFGNV-TZIWHRDSSA-N 358.432 4.047 0 1 FIAF CC(=O)c1ccccc1COc1cccc2c1C(=O)c1c(O)cccc1C2 27207858 KLQHQSJAKDECEH-UHFFFAOYSA-N 358.393 4.309 0 1 FIAF C[C@@H]1N=C(c2ccccc2)c2ccccc2N(Cc2ccc(O)cc2)C1=O 28820329 HDWSPNREUUZETG-INIZCTEOSA-N 356.425 4.165 0 1 FIAF NC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc(Br)c2)n1 29406325 TYFAAIZUQSSSQW-UHFFFAOYSA-N 366.218 4.245 0 1 FIAF COc1ccc2nc3sc(C(=O)NCc4ccc(C)o4)cc3cc2c1 34858152 BBILYDFRYFRSFG-UHFFFAOYSA-N 352.415 4.290 0 1 FIAF CCC(CC)c1nc2c(NCc3cccc(F)c3)ncnc2n1CCOC 82184676 CCQJKFPYYDVFBC-UHFFFAOYSA-N 371.460 4.128 0 1 FIAF CN(C)c1ccc(NC(=O)c2cc(-c3ccncn3)nc3ccccc23)cc1 95579416 JGZITBKTUNTCAA-UHFFFAOYSA-N 369.428 4.010 0 1 FIAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100912708 RQTWPNKOATVIPT-RKMBCSFTSA-N 352.261 4.033 0 1 FIAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 101755316 TXKQIJMFIKPRKR-YGNSZVCFSA-N 367.533 4.225 0 1 FIAF CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 103351585 PVSFTAKJIOLKFC-GOSISDBHSA-N 354.450 4.478 0 1 FIAF COc1ccc2nc3c(O)n(C)c(SCc4ccccc4C)nc-3c2c1 103563834 ZIFUIZAHYJBFKG-UHFFFAOYSA-N 365.458 4.388 0 1 FIAF O=C1NC(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)S1 106694392 GFSPDDYTMIXVMJ-MFOYZWKCSA-N 352.390 4.153 0 1 FIAF COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1 221012326 DVRUQNLSZFAFOD-CQSZACIVSA-N 360.413 4.141 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586898374 JFNOCRJZFLWDOE-UHFFFAOYSA-N 364.426 4.006 0 1 FIAF Cc1cnc2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 587185137 XTZZUECQGQACIW-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF CN(C)c1ncccc1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 587195517 IPXSGDXKGMYBMH-UHFFFAOYSA-N 356.735 4.243 0 1 FIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1 587203904 PXJDEMBSGGYSNS-UHFFFAOYSA-N 371.828 4.128 0 1 FIAF COc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1OC 587232613 WENJEHKKEWVPDP-UHFFFAOYSA-N 363.417 4.130 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(O)[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O 587420017 GHBXIEQGUUOWLJ-KPZWWZAWSA-N 355.777 4.024 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cn(C(C)(C)C)nc1C(C)C)[C@@H](C2)C3=O 587432109 NDRWTDWPDKRZBL-VBKZILBWSA-N 354.450 4.259 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCOC)cc1)CC2=O 587478633 GREWDOPIDXPXRR-NRFANRHFSA-N 370.445 4.467 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccs1)CC2=O 587494533 MENVISMZMNTDBY-CTDFXDFQSA-N 357.475 4.342 0 1 FIAF COc1ccc2c(c1OC)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587526993 UGFVFQQRNGFSHG-HSZRJFAPSA-N 364.441 4.390 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(Cl)n1 587608878 AIKAGYHUHFJJPH-BBRMVZONSA-N 359.790 4.205 0 1 FIAF COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587731745 ZKORARPRKPZSBX-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN2CCCCC2)N1 587768408 VBFOQYLTZGGRSE-FZKQIMNGSA-N 369.322 4.214 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccncc3[nH]2)N1 587802799 NTKPTPJKMXBJAC-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccc3cc[nH]c23)N1 587803935 QCVZIUMRNUPNPE-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]1[C@@H]53)[C@@H]42 587825427 DEWOBBCKNPFVQW-GZRFEMFMSA-N 374.297 4.096 0 1 FIAF Cc1cccc(CC[C@@]2(C3CC3)NCCc3ccc(C(=O)N(C)C)cc32)c1 962928739 SMUWAJNENRFIRH-DEOSSOPVSA-N 362.517 4.081 0 1 FIAF CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356490108 XEKDDLIAJWEAHP-CQRBZGJWSA-N 374.521 4.347 0 1 FIAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C 2356544215 IEAUFJOLHRNYMW-LDGXZYHYSA-N 364.526 4.015 0 1 FIAF O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(F)cc1)O[C@H](C1CCCCC1)C2 72122086 LVZOGFJRMXCZOD-DOTOQJQBSA-N 360.454 4.183 0 3 FIAF O=C(NC1CCCC1)[C@H](C1CC1)n1c(-c2ccncc2)nc2ccccc21 199235641 XVCGHYCTMVAPMU-FQEVSTJZSA-N 360.461 4.108 0 3 FIAF CN(Cc1ccccc1)c1cc(-c2cccnc2)nc(-c2ccncc2)n1 1498055 PFRZJWIMRKBETH-UHFFFAOYSA-N 353.429 4.237 0 1 FIAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCc5ccccc5C4)[C@H]3C=C12 4026557 CMPHEFDKDPTBQF-FRHCNZIGSA-N 365.517 4.359 0 1 FIAF O=C1Nc2ccc(F)cc2[C@](OCC=C(Cl)Cl)(C(F)(F)F)O1 6567498 QOXGBQKRBAJTJH-LLVKDONJSA-N 360.090 4.439 0 1 FIAF Cc1ccc([C@H]2C[C@H]3CC[C@H]4[C@@H]2[C@@](O)(c2ccc(Cl)cc2)CN43)cc1 26818060 JGWXNVMXDBFNMX-BDHVOXNPSA-N 353.893 4.486 0 1 FIAF Oc1cccc(C[C@@H](c2ccccc2)N2CCN(CC3CCC3)CC2)c1 29472403 LRKGUZSXGITGQZ-QHCPKHFHSA-N 350.506 4.094 0 1 FIAF COc1cc(OC)c2c(C)[n+](-c3ccc4scnc4c3)c(C)cc2c1 40409157 GBUYJDJZEVDZBJ-UHFFFAOYSA-N 351.451 4.360 0 1 FIAF O=C1c2cc(O)ccc2-c2c(-c3ccc(O)cc3)nc3ccc(O)cc3c21 45340183 VKVDKGJFOZGTDZ-UHFFFAOYSA-N 355.349 4.230 0 1 FIAF O[C@](c1ccc(C(F)(F)F)cc1)(c1cncnc1)c1ccccc1Cl 72101809 DYZQJGKMCSGRBF-QGZVFWFLSA-N 364.754 4.433 0 1 FIAF CCN(C)c1ncc(C(=O)NCC2CCCCC2)c(-c2ccc(F)cc2)n1 82139488 ULKIMSINFIEIPT-UHFFFAOYSA-N 370.472 4.049 0 1 FIAF CC/C=C\c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)n1 95552732 CGUZOYFGHICCSV-YWEYNIOJSA-N 352.459 4.366 0 1 FIAF Cc1nc2c(s1)[C@H](C(=O)NCc1ccc(Cl)cc1Cl)CCC2 220875782 HXIVYRNTUJCKBN-GFCCVEGCSA-N 355.290 4.495 0 1 FIAF CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccccc2O)C1 238745858 KVBYAXSJSBEUHY-YUVXSKOASA-N 358.478 4.461 0 1 FIAF Cc1ncc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(C)c1Br 586978954 MLMGIBBGSMFSCE-UHFFFAOYSA-N 356.145 4.422 0 1 FIAF CC(C)(C)c1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587008782 OGFIBSAINPVVNU-UHFFFAOYSA-N 370.254 4.333 0 1 FIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccnc(O)c2[nH]1 587121669 JTPJGBSQVIAOKZ-UHFFFAOYSA-N 360.295 4.086 0 1 FIAF CC(=O)NC1(c2nc3cc(C)c(Br)cc3[nH]2)CCC(C)CC1 587233775 COSWMUNAVXTXIQ-UHFFFAOYSA-N 364.287 4.175 0 1 FIAF O=C1C[C@@H]2CC[C@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349204 FLQPJEGAWGUGQW-RUGRQLENSA-N 366.388 4.018 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(C)o1)CC2=O 587476658 DIYCWANAHNVJPN-NRFANRHFSA-N 372.417 4.060 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)C[C@H]1C(=O)OCC)CC2=O 587483181 VSFRDUKZALVQOB-ZQWRNJAYSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)cc3c1O[C@H](C)C3)CC2=O 587483346 FHAAKYDQYGLNNG-MPBGBICISA-N 368.429 4.383 0 1 FIAF C[C@]1(c2cccc(N3CCC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587516178 ZIAZRSNTABFSNJ-HSZRJFAPSA-N 361.441 4.183 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)COC2 587606509 DLFABTFOQFFDPC-UGKGYDQZSA-N 360.365 4.125 0 1 FIAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587607004 GHUIETYJLLSRGG-KNQAVFIVSA-N 362.381 4.283 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1scnc1C1CC1 587617216 JHAVEQIBKMGMAU-HNAYVOBHSA-N 365.410 4.429 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2F)N1 587726730 ZHLZVKUISPMBHW-VPTHRUTESA-N 356.185 4.490 0 1 FIAF CCN(CC)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587741770 PATAXSLUMDPQGN-SJKOYZFVSA-N 357.311 4.070 0 1 FIAF CC(C)c1nccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587775289 QNHMJBGWCZCPIJ-HWPZZCPQSA-N 364.262 4.125 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccncc23)N1 587801484 GXUSALRYIYCECB-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(C)(C)C)N1 587810721 LNGMUJLJLSUQCS-BMLIUANNSA-N 356.279 4.343 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823113 OHEJDOQXHYOXJB-CDNVCLAFSA-N 368.290 4.487 0 1 FIAF COc1ccsc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587844167 MYGOGWRVTPISRQ-ABKXIKBNSA-N 370.287 4.456 0 1 FIAF CCOc1ccc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587943574 JKQGBIBGSBPOLQ-UHFFFAOYSA-N 373.355 4.217 0 1 FIAF COc1cccc(-c2cc(N[C@H](C)c3cccc(O)c3)nc(C)n2)c1F 653672853 FAMSKNUOXWISFQ-GFCCVEGCSA-N 353.397 4.478 0 1 FIAF COc1ccc2c(c1OC)[C@](c1ccccc1)(c1cc[nH]c1)N(C)[C@H](C)C2 962574991 VDMHAZWIIJOLMV-MWTRTKDXSA-N 362.473 4.200 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(N(C)C)ccnc2Cl)N1 962963884 XGLMJXXEQSHTSA-HXPMCKFVSA-N 354.885 4.296 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1[nH]c(C)c(C(=O)OC)c1C 963244674 XKNAJNPSGQMMJF-PEBXRYMYSA-N 354.494 4.338 0 1 FIAF Cc1cc(=O)oc2c(COC(=O)c3ccc(F)cc3)c(OC(C)C)ccc12 1857583860 VTDONZHYDMRMOF-UHFFFAOYSA-N 370.376 4.385 0 1 FIAF CCOc1ccc(-c2cc(NC(=O)c3ccc(C)cc3O)cnc2O)cc1 1857634689 AWWUAMABHVVHBA-UHFFFAOYSA-N 364.401 4.119 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)[C@@H](O)C[C@@]12C 2356624406 WUDCXBJIWCDVSH-BEZXDORVSA-N 364.526 4.016 0 1 FIAF CCn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1Cl 722298 UGNLLLNFIMCMSS-UHFFFAOYSA-N 352.143 4.481 0 3 FIAF C/C(=C\c1ccccc1)C(=O)NCc1ccc(C(=O)NCCC(C)C)cc1 1862848 GFYSCQFSUNMNIC-OBGWFSINSA-N 364.489 4.182 0 1 FIAF O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccc(F)c1)c1cccc(F)c1 3965724 URDXFKMXLZZTRI-FQEVSTJZSA-N 372.415 4.202 0 1 FIAF N=c1sc(-c2cccnc2)nn1-c1c(Cl)cc(Cl)cc1Cl 29466274 GDWKYOBYKADBKD-UHFFFAOYSA-N 357.653 4.435 0 1 FIAF CN1CCN(C2=Nc3cc(Cl)ccc3Oc3cc(Cl)ccc32)CC1 36473648 GZJAOBFMCGWTIL-UHFFFAOYSA-N 362.260 4.425 0 1 FIAF COc1cc(OC)cc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(C)=O)c1 53299014 IFBBHVRVNLEUFC-OAQYLSRUSA-N 352.434 4.018 0 1 FIAF COc1cc(C(=O)c2cc3cccc(OC)c3s2)cc(OC)c1OC 53312940 KYAYAWOJZICVFE-UHFFFAOYSA-N 358.415 4.167 0 1 FIAF CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc(Cl)c2[nH]ncc12 66074450 DNYAAHTZRMZFAD-UHFFFAOYSA-N 369.812 4.239 0 1 FIAF C[C@@]1(c2cccc(Nc3cccc4cc(Cl)cnc34)c2)COCC(N)=N1 143167102 MISZEAYFRRVHET-FQEVSTJZSA-N 366.852 4.234 0 1 FIAF in-vitro CN1[C@H]2CC[C@H](OC(=O)C(O)(C3CCCCC3)C3CCCCC3)[C@H]1CC2 169336892 YCLRCADCEBXTDL-AQNXPRMDSA-N 363.542 4.047 0 1 FIAF O=S1(=O)Nc2c(cc(N3CCCCC3)c3cccnc23)-c2ccccc21 205638343 VIMMCWGMVSDXGJ-UHFFFAOYSA-N 365.458 4.006 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4C=C(O)C=C[C@]4(C)[C@H]3CC[C@]12C 253632849 CXIZEAWVDWCMQV-KMPKMGHASA-N 370.537 4.432 0 1 FIAF Cc1ccc2nc(NCc3ccc(Cl)cc3)nc(NCCN(C)C)c2c1 299862233 JLHRECSTIJPPFJ-UHFFFAOYSA-N 369.900 4.177 0 1 FIAF O=C(Nc1ccc(Cl)cc1)c1c(NO)cc(-c2cccs2)oc1=O 473155996 SFGYDOHWQVYTFQ-UHFFFAOYSA-N 362.794 4.075 0 1 FIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Br)c(O)c3[nH]2)cc1 586889358 MQPBCTYPXFDWPN-ZUZCIYMTSA-N 361.239 4.177 0 1 FIAF O=Cc1cc(Br)cc(-c2nc3ccc4ncccc4c3[nH]2)c1 586983034 UDHQPADVYVZZBJ-UHFFFAOYSA-N 352.191 4.353 0 1 FIAF Cc1nc(COc2cccc(-c3nc4ccc(CO)cc4[nH]3)c2)cs1 587020275 LGIDENBBHMIRSS-UHFFFAOYSA-N 351.431 4.066 0 1 FIAF Cc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1Cl 587038417 HOZFCVOHZRZLRB-UHFFFAOYSA-N 365.846 4.390 0 1 FIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1 587041549 XISRWWIIPUDCHP-GOSISDBHSA-N 367.474 4.158 0 1 FIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587075865 NRZMCFVWSOEYQS-KRWDZBQOSA-N 366.812 4.101 0 1 FIAF FC(F)(F)Oc1ccc2c(-c3nc4c(Cl)nccc4[nH]3)n[nH]c2c1 587127610 ZLGZLQKWVVCXFE-UHFFFAOYSA-N 353.691 4.053 0 1 FIAF Fc1ccc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587169072 RXLNOPCTUNKFOV-UHFFFAOYSA-N 357.129 4.322 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(F)cc1)(C1CCOCC1)O2 587383879 HIMVIQJZRSNJQH-QFIPXVFZSA-N 369.436 4.090 0 1 FIAF CC[C@H]1c2cc(OC)ccc2CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443768 RRFNEIFHTIKPKW-YYDVJCTNSA-N 364.441 4.330 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCOC)cc1)CC2=O 587478636 GREWDOPIDXPXRR-OAQYLSRUSA-N 370.445 4.467 0 1 FIAF C[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587530425 BULVTENJUPYYDK-JOCHJYFZSA-N 350.414 4.217 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ncc1F 587571232 PSDJBPROZZYUIH-QFBILLFUSA-N 371.751 4.283 0 1 FIAF Cc1ccc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587608892 NCYLXLMKZRTPDA-PGRDOPGGSA-N 362.381 4.418 0 1 FIAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CC(=O)O)cc1F 587628814 APMVJVZYIXYKEM-UHFFFAOYSA-N 351.736 4.402 0 1 FIAF O=C(OCc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660037 MPAIVJSDDJCQFK-UHFFFAOYSA-N 374.371 4.388 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)c1ccccc1 587661742 SVTBQXQGOLPQPF-UHFFFAOYSA-N 360.413 4.426 0 1 FIAF CC(C)N(C)CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587743760 XVROWSUNNYZHIW-PXAZEXFGSA-N 357.311 4.068 0 1 FIAF CCCn1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587763864 MZZWDOLWRAWVOW-QGHHPUGFSA-N 366.278 4.127 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc(CCOCC4CC4)[nH]c3c2)cc1 587783320 NXMXNSDELRYMAT-UHFFFAOYSA-N 366.417 4.111 0 1 FIAF CCO[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587811190 NJGFVRNOILHEMQ-LQAWEQHXSA-N 356.279 4.297 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N[C@@H](C)C1CC1 587863726 RTLBQCJBBOBUDD-JTQLQIEISA-N 369.412 4.099 0 1 FIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccc(-c3cccc(F)c3)cc2)N1 962891543 BYGYRBGUDPNZEY-SFTDATJTSA-N 365.379 4.320 0 1 FIAF O=C(N[C@H]1CCc2ccccc21)c1c[nH]c2ccc(Br)cc12 1911586332 SZUJXRZKZNHAIP-KRWDZBQOSA-N 355.235 4.348 0 1 FIAF CC(=O)O[C@@H]1C(=O)C[C@@]2(C)[C@H](CC[C@@]3(C)c4cocc4CC[C@H]32)C1(C)C 2356802621 SMKCOMIUBIKXNU-MWGJNXKLSA-N 358.478 4.447 0 1 FIAF CC=C([C@H](C)C1=CCCC(C)(C)C1)[C@@H]1[C@H](OC(C)=O)O[C@H]2OC(=O)C[C@@H]21 2356806915 WAKWQRLYHBSGJG-BNCZOOBYSA-N 362.466 4.130 0 1 FIAF CC1(C)CC(=O)[C@@H](C[C@@H]2COC(C)(C)CC2=NNc2ccccc2)CO1 4064348 HPBUPLSCXWKXPB-CVEARBPZSA-N 358.482 4.044 0 1 FIAF biogenic COc1cccc(-c2nn(C)c3sc(C(=O)N4CCCC[C@H]4C)cc23)c1 5006879 JMHXYPNOMABFJO-CYBMUJFWSA-N 369.490 4.325 0 1 FIAF O=C1N(CC2CCCCC2)CCC[C@@]12CCN(CCCC(F)(F)F)C2 11933439 XNTYHCONZOUAJS-SFHVURJKSA-N 360.464 4.224 0 1 FIAF CC[C@@H](C)C(=O)NC[C@@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 12201033 CQSNXFSJVIDXOL-KDOFPFPSSA-N 351.446 4.022 0 1 FIAF C[C@H]1Cn2c(C(=O)NCCCc3ccccc3)cc3cccc(c32)S1 20559794 YRONIONQVPGZIG-HNNXBMFYSA-N 350.487 4.498 0 1 FIAF CC(C)Cc1ccc(CC(=O)Nc2ccc(CCCC(=O)O)cc2)cc1 26569611 OQDZCWMSPXANSU-UHFFFAOYSA-N 353.462 4.474 0 1 FIAF CN1CC2=C(N=C(S)N[C@H]2c2cccs2)/C(=C/c2cccs2)C1 26732683 YNDASWLZIZPTTP-YCABEKBOSA-N 359.545 4.023 0 1 FIAF C[C@@H]1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13 28523494 BKKGVUYVPORNKS-GBQSYFIPSA-N 372.468 4.239 0 1 FIAF O=C(CCCCN1CCC(Cc2c[nH]cn2)CC1)Nc1ccc(Cl)cc1 28563852 DGEZXTDOLYKSSY-UHFFFAOYSA-N 374.916 4.127 0 1 FIAF Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc32)cn1 29548720 CGCQKCMCMNKZOB-UHFFFAOYSA-N 364.380 4.311 0 1 FIAF CCCc1ccccc1OCCCOc1ccc(OCC(=O)OC)cc1 37866938 FFZRVAHMALYXTJ-UHFFFAOYSA-N 358.434 4.039 0 1 FIAF COc1cccc([C@@H](O)CNc2ccnc(Nc3ccc(Cl)cc3)n2)c1 45168474 BRQWGQONCQGFRK-KRWDZBQOSA-N 370.840 4.028 0 1 FIAF CCCC[C@H](CC)CNC(=O)CNc1nc(-c2ccc(O)cc2)cs1 82193757 BXMLWOZSKWEWLU-AWEZNQCLSA-N 361.511 4.260 0 1 FIAF CCSc1nc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1 95601450 HJXGHQHNLMGAEH-UHFFFAOYSA-N 358.488 4.259 0 1 FIAF Cc1nn(C)c(C(=O)OCc2ccc(C(C)(C)C)cc2)c1Br 103197093 LONLYIJIMDXKLL-UHFFFAOYSA-N 365.271 4.146 0 1 FIAF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2Cc2ccccc2)n1)c1ccccc1 142139925 RARVJANBOPOITE-QFBILLFUSA-N 374.444 4.218 0 1 FIAF CO[C@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 169295427 DRRFJWRBSWXNFW-TUFLPTIASA-N 373.443 4.321 0 1 FIAF CC(=O)O[C@@H]1C(C(C)C)=CC=C(C)CCC=C(C)CC[C@@H]2O[C@]2(C)[C@H]1O 299807139 UCGNKVNJSKHNBJ-LRSLUSHPSA-N 362.510 4.486 0 1 FIAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2cccc(F)c2)n(CC(F)(F)F)n1 299824560 LKMCYAKQUCOEKN-BXKDBHETSA-N 356.323 4.352 0 1 FIAF Nc1nc(Cc2cccc(C(F)(F)F)c2)nc2cn(-c3ccccc3)nc12 299829981 UJRKJCZOSMGORO-UHFFFAOYSA-N 369.350 4.007 0 1 FIAF C[C@]1(c2ccc(F)cc2)CCn2nc(COc3ccccc3)cc2C1=O 299839476 SCBKYYJGFWZNRU-OAQYLSRUSA-N 350.393 4.146 0 1 FIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)c(C)nc3[nH]2)cc1 586885911 DMHZPHYBNRHGBK-BMIGLBTASA-N 360.255 4.174 0 1 FIAF CC(C)COc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1Br 586889399 NDZCRAGWBZXELU-INIZCTEOSA-N 355.276 4.224 0 1 FIAF N[C@@H](N=O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586895055 MZTLGGQLRUULJF-FQEVSTJZSA-N 358.401 4.113 0 1 FIAF CCOC(=O)CCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989805 QWYBGRADCITZFZ-UHFFFAOYSA-N 361.397 4.038 0 1 FIAF CC(C)(C)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2n1 586996143 AGBRLZWPGLYPOA-CQSZACIVSA-N 360.255 4.100 0 1 FIAF O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586996761 KAPFCNVWZOULKF-CYBMUJFWSA-N 373.584 4.339 0 1 FIAF Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)c(C)nc3[nH]2)cs1 587021126 IDVHLGXPEZFNCH-UHFFFAOYSA-N 374.267 4.456 0 1 FIAF Cc1nccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 587081572 QNVHSOONBZFTNO-UHFFFAOYSA-N 360.808 4.296 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587151768 ILXKKZFQLHLAQN-UONOGXRCSA-N 356.372 4.218 0 1 FIAF Oc1nc(S)nc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc12 587162487 BTCWRCALQKPCKH-FLIBITNWSA-N 370.434 4.137 0 1 FIAF O=C(O)CCC(=O)Cc1c(-c2cccs2)nc2cccc3c2c1CC3 587360087 LLFXQQGEMWJWHN-UHFFFAOYSA-N 351.427 4.038 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3ccncc3)Oc3ccccc31)O2 587396326 ZJSLAXAEPHSWLC-QHCPKHFHSA-N 370.408 4.266 0 1 FIAF COc1cc2c3c(c1)OC1(CCC(C)(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587438065 CAIYCMHILKXARA-NYMDZQDESA-N 372.461 4.103 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1coc3cc(F)ccc3c1=O)CC2=O 587473116 XHEJNPVSHZOREX-IBGZPJMESA-N 368.360 4.297 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3oc(=O)ccc3c1)CC2=O 587481128 ADFFFIFJXMOUAK-IBGZPJMESA-N 350.370 4.158 0 1 FIAF COC(=O)c1coc2c1[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587534653 XALWATXJHATYSQ-JOCHJYFZSA-N 366.413 4.142 0 1 FIAF Cc1cc(N)cc(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577623 LBXGUSHOLXIQBZ-SIKLNZKXSA-N 361.397 4.294 0 1 FIAF CC(C)(C)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586413 CEFUSNJXNJNLPA-APWZRJJASA-N 364.401 4.116 0 1 FIAF CN1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587596173 RECOMLJDCVWYDL-REWPJTCUSA-N 373.408 4.087 0 1 FIAF CC(=O)c1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600731 CBHRJHJDNWJAIV-NZQKXSOJSA-N 374.392 4.472 0 1 FIAF C[C@H]1CCCCN1C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587761075 OFGZEOZEPIYGJK-FHSNZYRGSA-N 369.322 4.212 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCOC1 587859256 UQOJOHSJUIMPAB-NSHDSACASA-N 369.248 4.322 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3sccc32)N1 587859869 YNVGUIMIINOOHI-JDNHERCYSA-N 352.272 4.374 0 1 FIAF C[C@H]1Nc2ccccc2C(=O)[C@]12NCCc1cccc(-c3ccccc3)c12 962660230 HQLKFSAXBRFTQK-GYCJOSAFSA-N 354.453 4.392 0 1 FIAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1ccc(N2CCCC2)o1 962697803 GQWYGPGESHHFQF-QVKFZJNVSA-N 372.509 4.472 0 1 FIAF Cn1c(C(=O)Nc2cccc(COc3ccncc3)c2)cc2sccc21 1772570837 LKDUKMHYBHNAJC-UHFFFAOYSA-N 363.442 4.466 0 1 FIAF CCOc1cc2c(cn1)nc(C(O)(c1ccccc1)c1ccccc1)n2CC 1857607806 YEURDSIYJYUYMZ-UHFFFAOYSA-N 373.456 4.134 0 1 FIAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(OC(C)C)c1O 1911577854 JHAGQDPVMTWYIB-FPLPWBNLSA-N 374.433 4.384 0 1 FIAF CC[C@H]1CN2CC[C@H]1C[C@H]2COC(=O)Nc1ccc(OC(F)(F)F)cc1 2356859523 SVRGWQGFCDGQMR-YDHLFZDLSA-N 372.387 4.254 0 1 FIAF CC(C)(CO)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774780 OBYNMPKPEQZZOJ-UHFFFAOYSA-N 374.824 4.003 0 1 FIAF CCCCN1C(=O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)C1=O 5783575 SZYDQVLZIFYHKM-VAWZGJIGSA-N 369.505 4.317 0 1 FIAF CCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1 13553812 PPYLVALIXCRQIP-UHFFFAOYSA-N 358.873 4.042 0 1 FIAF O=C1Cc2ccccc2N1C1CCN([C@H]2CCC[C@H]3CCCC[C@H]23)CC1 13561289 UXEWRPZUKRZGHB-AGHHOFFYSA-N 352.522 4.399 0 1 FIAF O=[S@](CC(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28220157 KQJRXLXRLYSYTL-DEOSSOPVSA-N 350.365 4.414 0 1 FIAF C[C@@H]1CN(CCCc2ccccc2)[C@@H]2C[C@@H](N)C[C@@]1(c1cccc(O)c1)C2 28523188 DBPFGWTUHBQYTM-QMBPOEKNSA-N 364.533 4.094 0 1 FIAF COc1ccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc1 29043600 NNVGKBYGEXMXGT-UHFFFAOYSA-N 370.796 4.355 0 1 FIAF Cc1cc(C)cc(NC(=O)Nc2ccc(-c3nccc4[nH]nc(N)c34)cc2)c1 29129717 BPYQHIKNAWZNRS-UHFFFAOYSA-N 372.432 4.468 0 1 FIAF O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCNC3CCCC3)c12 39829618 HTHJJCBRKUSTFT-UHFFFAOYSA-N 368.502 4.075 0 1 FIAF in-vitro CCN(CC)[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 40430872 GEBDPJLANGRGDG-NQBGTIOHSA-N 363.586 4.071 0 1 FIAF CC(C)c1csc2c1C(N1CCN(C)CC1)=Nc1cc(F)ccc1N2 61966141 PLSAMFPPVCEJRX-UHFFFAOYSA-N 358.486 4.393 0 1 FIAF Cc1ccc(C2=Nn3c(nnc3-c3nc(C(C)C)cs3)SC2)cc1 64446454 HQMOTACNQULLSZ-UHFFFAOYSA-N 355.492 4.192 0 1 FIAF O=C1[C@H]([C@H](O)c2cccc(C(F)(F)F)c2)CCCN1Cc1ccccc1 103282504 XFZQSLDOQKXJIM-ZWKOTPCHSA-N 363.379 4.178 0 1 FIAF CCCc1c(-c2cccc(OC)c2)[nH]c2c(OC)ccc(OC)c2c1=O 141822560 BAMLXOXNWWAWAS-UHFFFAOYSA-N 353.418 4.173 0 1 FIAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C3CC4(COC4)C3)nc2c1 586915326 CVGUOOSYCJGIPG-UHFFFAOYSA-N 350.262 4.495 0 1 FIAF O=C(O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587018200 YKQQUXHZPVFNSM-UHFFFAOYSA-N 356.794 4.100 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(CNc3ccccc3Cl)nc2c1 587060231 GWISZEHTLBPJLV-UHFFFAOYSA-N 350.205 4.268 0 1 FIAF Cc1cc(F)c2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc2c1 587060866 PJJANIJTFJIPDI-UHFFFAOYSA-N 353.788 4.200 0 1 FIAF Clc1ccc2c(c1)C[C@H](c1nc3cncc(Br)c3[nH]1)O2 587081200 UODYUEYSYPIZKH-GFCCVEGCSA-N 350.603 4.050 0 1 FIAF C[C@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)n1cc(Cl)cn1 587082947 ZHUUQEMFDPJPBM-GFCCVEGCSA-N 350.809 4.253 0 1 FIAF N[C@H](N=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587164144 XBAMNFUCGFMANS-HXUWFJFHSA-N 374.375 4.324 0 1 FIAF CSC(=C[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1)SC 587408067 DMXHNEAHBFPXFY-LJQANCHMSA-N 372.515 4.400 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@]13C[C@@H]4C[C@@H](C[C@@](O)(C4)C1)C3)CC2=O 587487775 ITEQHSFMAMQHLI-NTNPQPJZSA-N 370.489 4.400 0 1 FIAF C[C@@]1(c2cc(F)c(N)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508986 UYQUVRHYKNSYHW-FQEVSTJZSA-N 361.363 4.446 0 1 FIAF C[C@]1(CC(=O)OCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521707 FFIFVCZYJGQBBZ-HSZRJFAPSA-N 364.441 4.423 0 1 FIAF Cc1ccc(C(C)C)c(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587651558 AZRRQJNOGKNQAP-UHFFFAOYSA-N 370.836 4.201 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3n2C)N1 587760608 ZFCRTZXVLACHCQ-DYZYQPBXSA-N 374.257 4.099 0 1 FIAF CC(C)CC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814927 WVJUVVHQBVWGMA-DIFFPNOSSA-N 356.279 4.343 0 1 FIAF COc1ccsc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587848143 ZYVBEWURCQIPIR-XXFAHNHDSA-N 370.287 4.456 0 1 FIAF COc1cc2c(cc1OC)[C@@](c1ccc(N)cc1)(C1CCC1)N(C)[C@@H](C)C2 962621234 IQGHZONSNRHZDS-WNSKOXEYSA-N 366.505 4.206 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1c(N)sc(C)c1C)C1CC1 963633472 IKJWWEUEUYGANE-WSVYEEACSA-N 372.534 4.152 0 1 FIAF CN1CCN(Cc2c(CC3CCCCC3)[nH]c3ccnc(Cl)c23)CC1 1772608860 NJZJHBRPSKJDOX-UHFFFAOYSA-N 360.933 4.087 0 1 FIAF Cc1ccc(Nc2nc(-c3cc(C(=O)Nc4ccccn4)no3)co2)cc1 1911586051 NKHQEGZZYXVFCB-UHFFFAOYSA-N 361.361 4.029 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@]2(CO)[C@@H]1CC[C@@]1(C)c3cocc3CC[C@H]12 2356765943 ZUNPKKNJINJWLQ-AANPDWTMSA-N 360.494 4.242 0 1 FIAF O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1cccnc1)c1ccc2ccccc2c1 2382230424 GAXNFSNKLNLTML-NOTZXAQLSA-N 371.484 4.160 0 1 FIAF CCNC(=O)[C@@]1(C)CCCN(Cc2ccc(Oc3ccccc3)cc2)C1 61907577 GCZYPTUAIXKAKP-QFIPXVFZSA-N 352.478 4.217 0 3 FIAF CC(=O)O[C@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@@H]12 2116488 ZZLUZIDJVCYWKL-RCYRTOKTSA-N 374.521 4.345 0 1 FIAF biogenic O=C(c1cccc(F)c1)N1CCC2(CCCN(Cc3ccccc3)C2)CC1 3956347 DOOVIXRTDYZBHA-UHFFFAOYSA-N 366.480 4.344 0 1 FIAF COc1ccc(-c2cc3c(NC(=O)c4cccc(F)c4)ncnc3o2)cc1 14946138 CZXJNJMEDFWKLF-UHFFFAOYSA-N 363.348 4.290 0 1 FIAF CC(C)=CCc1cc2c(cc1O)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4 15149465 UFBHHWPUVXVFRG-VFNWGFHPSA-N 352.386 4.239 0 1 FIAF biogenic NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1 28825916 OMIMGLYUGYGXAB-UHFFFAOYSA-N 355.526 4.391 0 1 FIAF CN(CCOc1ccc(-c2ccccc2)cc1-c1ccsc1)CC(=O)O 28958348 WMCOGESGAIXVRP-UHFFFAOYSA-N 367.470 4.477 0 1 FIAF Oc1ccc(-c2nc(-c3nc(S)n[nH]3)cc3c2[nH]c2ccccc23)cc1 40846807 OVMYOACKXGQUCO-UHFFFAOYSA-N 359.414 4.163 0 1 FIAF CC[C@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F 82152583 TUAHMJXERAUWGL-HNNXBMFYSA-N 370.472 4.047 0 1 FIAF CCCCCNc1ncnc2c1nc(CCC)n2CCc1ccccn1 82186847 RCXWFGNFSFVVAS-UHFFFAOYSA-N 352.486 4.019 0 1 FIAF O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccncc1 96914415 FZEWKGLZGHVIDN-UHFFFAOYSA-N 350.765 4.191 0 1 FIAF O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(Nc3ccccc3)ncc12 140090774 AQHAAKWPRCEFEL-UHFFFAOYSA-N 371.400 4.194 0 1 FIAF Cc1ccc2c(c1)[C@@H](O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2 169346078 MHEIWXRPTRFLOS-JOCHJYFZSA-N 357.453 4.452 0 1 FIAF CCC(=O)N[C@@H]1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21 205711023 ROSFTULUCXFQOL-MRXNPFEDSA-N 352.331 4.420 0 1 FIAF O=c1cccc2n1[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2ccccc21 377500249 LDIRTRYGOHSAHW-UNMCSNQZSA-N 355.393 4.459 0 1 FIAF Fc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2c(F)c1F 587005395 GYZOBSBBPFZOLP-UHFFFAOYSA-N 362.536 4.458 0 1 FIAF O[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)c1ccccc1Cl 587057741 DJARWSSWXCUVBG-NSHDSACASA-N 373.037 4.109 0 1 FIAF O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587075397 CUTPQFFASBFIRN-UHFFFAOYSA-N 365.776 4.349 0 1 FIAF Cc1ccc2c3c(cc(C(C)(C)n4cncn4)nc13)-c1ccccc1C2=O 587096061 CYUUFDATBVTPBN-UHFFFAOYSA-N 354.413 4.130 0 1 FIAF COC(=O)[C@@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587098493 TVFKNNMPTNLFEI-MRXNPFEDSA-N 357.409 4.348 0 1 FIAF CC(C)(C)OC(=O)[C@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106762 NXHYSCRVYQQGIT-HNNXBMFYSA-N 357.409 4.428 0 1 FIAF Oc1c(Br)ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c12 587148070 FOFGFCVGKAFCMR-KXFIGUGUSA-N 351.150 4.480 0 1 FIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccnc(Br)c3[nH]2)c1F 587152515 OVPGHZILIXAUNR-IUCAKERBSA-N 350.166 4.270 0 1 FIAF Cc1cnc2[nH]c(/C=C\c3cccc(I)c3)nc2c1 587184170 PFQZBLFVRNOOBR-WAYWQWQTSA-N 361.186 4.041 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(F)c1Br)O2 587383179 YOLSSVQCOYYSLR-QGZVFWFLSA-N 364.214 4.359 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cc(C)ccc1C)O2 587387658 RDLCZGPPWRDVNU-UVIRAJKCSA-N 350.462 4.130 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCNc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423550 VMSMICVLJPMIHY-MGPUTAFESA-N 355.821 4.197 0 1 FIAF COc1ccc(-c2ccncc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587437322 XTAJVOBBAWLJMO-WZONZLPQSA-N 373.408 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1csc(Br)c1)[C@@H](C2)C3=O 587451646 KVRNPRTVBWTXJL-ZBEGNZNMSA-N 365.248 4.182 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccco1)(c1ccco1)CC2=O 587476558 CVJYFQGHFRAJOE-OAQYLSRUSA-N 366.369 4.274 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)n1 587552420 RLBFGRSMMXEVMP-QFBILLFUSA-N 353.761 4.144 0 1 FIAF CCCn1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587578670 AZFPJVTUBFKOIJ-WIYYLYMNSA-N 364.401 4.010 0 1 FIAF Cc1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n[nH]c12 587591301 CCOKHYIJOCNGOQ-VGOFRKELSA-N 372.380 4.280 0 1 FIAF O=c1c2cc(Cl)ccc2cnn1-c1ncc(C(F)(F)F)cc1Cl 587651059 ASUIVDUQJCIAGX-UHFFFAOYSA-N 360.122 4.106 0 1 FIAF O=C(c1cccc(Cl)c1Cl)n1ncc2ccc(Cl)cc2c1=O 587651154 MCRMQHHBTGXWNE-UHFFFAOYSA-N 353.592 4.045 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccn2)N1 587696171 DCBZNLQAXXIGFH-JDNHERCYSA-N 369.665 4.434 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc(Cl)c2)N1 587702546 DOUJUSGWWCTTHI-JDNHERCYSA-N 369.665 4.434 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(F)cc2F)N1 587725556 DVUFTXWZKKFIAL-VPTHRUTESA-N 371.200 4.059 0 1 FIAF CC(C)Cn1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757896 HZNQQUWTNGALFK-PIGZYNQJSA-N 366.278 4.064 0 1 FIAF COc1cccc(OCc2ccc(-c3nc4c(OC)nccc4[nH]3)cc2)c1 587782865 ZBQXJMODKKUIAG-UHFFFAOYSA-N 361.401 4.221 0 1 FIAF Cc1[nH]c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587794205 UCNZMWHYRNYOEY-CQLKUDPESA-N 351.263 4.465 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1ccc(O)cc1 587870823 SLWGHEMBIUATRI-UHFFFAOYSA-N 354.381 4.067 0 1 FIAF CCCOc1cc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2cc1Br 587961051 DFFRTLVURVBSFE-MNOVXSKESA-N 365.271 4.272 0 1 FIAF CC1=C(C(=O)OC(C)C)[C@@H](c2ccsc2)N2C(=N1)Nc1ccccc12 653720241 FLDPOALIHQWAGV-QGZVFWFLSA-N 353.447 4.317 0 1 FIAF COc1cccc([C@]2(CCCCC(=O)O)NCCc3ccc(F)c(C)c32)c1 962295464 DSOXHCVOAQLSKJ-QFIPXVFZSA-N 371.452 4.177 0 1 FIAF COc1ccc2c(c1OC)[C@@H](c1cc(Cl)cnc1Cl)N(C)[C@H](C)C2 962573343 RFOXAIDKUXIZQK-QLJPJBMISA-N 367.276 4.371 0 1 FIAF CC1(C)C[C@]2(CCO1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962649554 XMJYMKXQCDNMDA-XUZZJYLKSA-N 362.517 4.218 0 1 FIAF CCCCOc1ccc(Cl)cc1[C@H]1NCCc2nc3ccccn3c21 962985757 GNYORXUDOFJECZ-LJQANCHMSA-N 355.869 4.402 0 1 FIAF CN(C)/C=C/[C@@]1(C(C)(C)C)c2cccc(Br)c2CCN1C 963278884 CVXSQGIFBRJNDQ-YLZCUGDYSA-N 351.332 4.254 0 1 FIAF COc1ccc(-c2cc(F)cc([C@@H](CC(=O)O)c3ncco3)c2)c(OC)c1 1772576270 CPBATFKYTIGCLA-QGZVFWFLSA-N 371.364 4.105 0 1 FIAF COC(=O)c1c(-c2cc(OC)cc(OC)c2)sc2ccc(OC)cc12 61969037 ZWASLCUAMWBSKD-UHFFFAOYSA-N 358.415 4.381 0 3 FIAF O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1cccc(Cl)c1 8281110 RPKGMUQQOWFZSB-UHFFFAOYSA-N 368.849 4.452 0 1 FIAF CC(C)CCC1(CCC(C)C)C[C@](CO)(COC(=O)C(C)(C)C)OC1=O 13684051 CJHAWHHDXWQNTJ-NRFANRHFSA-N 370.530 4.113 0 1 FIAF O=C(N1CCCCC1)N1Cc2c(-c3ccccc3)ncn2-c2ccccc21 13758903 PJEFLMXDKFQQMT-UHFFFAOYSA-N 358.445 4.465 0 1 FIAF C[C@H](CCc1nnn[nH]1)Cc1cccc(OCc2ccc3ccccc3n2)c1 26722042 GABZVHZCIWHURT-MRXNPFEDSA-N 373.460 4.138 0 1 FIAF Cc1cccc(Nc2cc(C3CC3)c(C(=O)NCC3CCOCC3)cn2)c1 40420208 FRVCWPVIAMXFHY-UHFFFAOYSA-N 365.477 4.167 0 1 FIAF CC[C@H](C)CCOC(=O)c1cc(CO)cc(C(=O)OCC[C@H](C)CC)c1 40833869 DCCCMTWRVXIVEE-IYBDPMFKSA-N 364.482 4.365 0 1 FIAF CCCCCCC(=O)OC[C@]1(CO)C/C(=C/[C@@H](CC)CCCC)C(=O)O1 40914983 YFGRZJGPRQXMTL-BXUDVDAYSA-N 368.514 4.321 0 1 FIAF Cc1cc(C)nc(N2C(=O)CS[C@H]2c2c(Cl)cncc2Cl)c1 73159910 INDXUMYCESLZLH-HNNXBMFYSA-N 354.262 4.179 0 1 FIAF O=C(Nc1ccnc(Nc2cccnn2)c1)c1c(Cl)cccc1Cl 96282826 LKORSKLVAUIAOV-UHFFFAOYSA-N 360.204 4.174 0 1 FIAF CN(C)C[C@H](CCSC(=O)c1ccccc1)SC(=O)c1ccccc1 98081902 LNVLBJJVCVGKTG-SFHVURJKSA-N 373.543 4.454 0 1 FIAF O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 100106550 LKTDHTPSJCSYSJ-GXCHRHCBSA-N 372.512 4.313 0 1 FIAF CC[C@H](OC(=O)COc1ccc(Cl)cc1Cl)P(=O)(OC)OC 103209106 REFVXEBOWZUQMN-CYBMUJFWSA-N 371.153 4.137 0 1 FIAF CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(OC)cccc32)cc1 116390606 OXWCJXISSNZOGS-UXHICEINSA-N 356.418 4.314 0 1 FIAF COC(=O)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2C)nc1 141281506 QHPJCADMROVZOO-UHFFFAOYSA-N 358.781 4.064 0 1 FIAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccncc3)c2F)cn1 212172171 ABJDIJSWCOEPHI-UHFFFAOYSA-N 350.397 4.106 0 1 FIAF CC(C)O[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990830 GBUVLYMFYWWNTA-ZDUSSCGKSA-N 359.425 4.434 0 1 FIAF Cc1onc(-c2nc3c(O)cccc3[nH]2)c1COc1ccc(Cl)cc1 587075989 NMWFSQXNLUEGBP-UHFFFAOYSA-N 355.781 4.464 0 1 FIAF COC(=O)c1cc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2cc1OC 587087740 OKDCRLTVVVLLRI-UHFFFAOYSA-N 355.781 4.160 0 1 FIAF Fc1cnc(Cl)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 587116093 NFJNOERETRDESA-UHFFFAOYSA-N 367.693 4.379 0 1 FIAF CNc1c(F)cccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587136366 ZAWQKWITBVEFPC-UHFFFAOYSA-N 356.145 4.451 0 1 FIAF Fc1cncc(Cl)c1Cc1nc2cc(Br)cc(F)c2[nH]1 587176590 XBPNBWFPIPYQGF-UHFFFAOYSA-N 358.573 4.243 0 1 FIAF COc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)CC4)cc1OC 587213549 JCRVXNBNCOFLKW-UHFFFAOYSA-N 363.413 4.035 0 1 FIAF CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587398634 FVWMFEFMRREUFJ-DDVAMESESA-N 373.493 4.307 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc4cc(Cl)ccc4n1)[C@@H](C2)C3=O 587419221 DDPHCNYOBAIQKL-XOBRGWDASA-N 351.789 4.386 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cccs1)CC2=O 587494536 MENVISMZMNTDBY-JPMGXVIASA-N 357.475 4.342 0 1 FIAF O=C(O)CC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504842 NQRWAUGEEGJEDV-JOCHJYFZSA-N 368.404 4.430 0 1 FIAF C[C@@H](O)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587524964 MTWJSRCMPRRQKV-QKFKETGDSA-N 361.441 4.288 0 1 FIAF COC(=O)[C@@H]1CCC(C)(C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527525 WCYUDDBVCKELIJ-JTSKRJEESA-N 356.462 4.269 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1Cl 587544794 OAIYNVVMHSKNJF-OXQOHEQNSA-N 368.772 4.454 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(F)cc1Cl 587573252 YPJJYOPMMORKRC-BEFAXECRSA-N 371.751 4.283 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)C1CCC1 587587706 PHPOVLIVDKKYFN-OFNKIYASSA-N 373.408 4.444 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(F)ccc1F 587658132 HQCRWMZWADOTBW-UHFFFAOYSA-N 352.315 4.470 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccn2)N1 587698690 IZXXWNISRSMNAK-ANRSDYALSA-N 355.638 4.260 0 1 FIAF CC(C)N(C)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587738932 DMDQIOCRDHSSTF-PXAZEXFGSA-N 357.311 4.068 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncn(C)c3c2)N1 587754003 CHIDBHPPUDDWAX-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF C[C@@H]1CCCN(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 587760479 KKIYAKFQKSFTKB-VFVRVIDISA-N 369.322 4.070 0 1 FIAF Cc1ccc2[nH]nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587791087 FFCLRPTUKCSJJA-YPMLDQLKSA-N 374.257 4.397 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 587820527 AGNIDVCDKDFCAY-CSOAYTOSSA-N 374.297 4.096 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Cl)cs1 587872496 LWARXTNTCDYXOH-UHFFFAOYSA-N 350.802 4.491 0 1 FIAF CCOC(=O)[C@@]1(c2cccs2)c2ccsc2CCN1Cc1ccco1 962707997 MFHFEUXOBMBGOJ-IBGZPJMESA-N 373.499 4.268 0 1 FIAF Cc1sc2c(c1C)CCN[C@@]2(CCC(=O)O)c1cc(F)c(F)c(F)c1 963028964 QVTUGXAMZXAJTF-SFHVURJKSA-N 369.408 4.036 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2O)cc1 1772628797 KDMJBLUICZFCNN-VXKWHMMOSA-N 362.404 4.161 0 1 FIAF O=C(N=c1ccn(Cc2ccccc2)cc1)c1cccc(Br)c1 2382224943 FONWABVZWLIMPV-UHFFFAOYSA-N 367.246 4.040 0 1 FIAF O=C1[C@H]2[C@@H]3S[C@@H](c4c3ccc3ccccc43)[C@@H]2C(=O)N1c1ccccc1 6575390 ZFPGOEXUFNQOHD-WTGUMLROSA-N 357.434 4.488 0 1 FIAF COc1ccccc1-c1cc(NC=O)c2ncc(-c3ccc(F)cc3)n2c1 61904217 MWNOZVKKGKKRIH-UHFFFAOYSA-N 361.376 4.384 0 3 FIAF C[C@H]1CC(=O)c2c(n(-c3ccc(C(N)=O)c(NC4CC4)c3)c3ccccc23)C1 29048094 DPLIFGGJPLIMKJ-CYBMUJFWSA-N 373.456 4.069 0 1 FIAF CC1(C)C=Cc2cc3c(cc2O1)OC[C@H]1c2cc4c(cc2O[C@@H]31)OCO4 1583495 OYJSNPOSPVUTQQ-XOBRGWDASA-N 350.370 4.209 0 1 FIAF biogenic CC(C)=CCOc1cc(O)c2c(=O)cc(Oc3ccc(O)cc3)oc2c1 14775980 RHGFGSKOIZWVQW-UHFFFAOYSA-N 354.358 4.342 0 1 FIAF biogenic CC(C)c1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1 45340039 XXYCYNQDSQYJSV-UHFFFAOYSA-N 358.445 4.124 0 1 FIAF CC1(C)C(=O)Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc21 96169312 MSLKWXLOEZVISB-UNMCSNQZSA-N 373.496 4.424 0 1 FIAF CC(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](OC(=O)C(C)C)[C@]2(C)[C@H]1C 238765766 MJFYXJSSTPWZDK-HKSPQUPMSA-N 360.450 4.289 0 1 FIAF CCOC(=O)N1CCN(C2(c3ccccc3)C3CC4CC(C3)CC2C4)CC1 299865530 UESOYEWYMYIYLI-UHFFFAOYSA-N 368.521 4.112 0 1 FIAF CC(C)c1nc(-c2nnc(C3CCN(CC4CC4)CC3)o2)c2ccccn12 653790946 LGTHXLQSNOMVBV-UHFFFAOYSA-N 365.481 4.097 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(F)c1F 587559373 WOFUUMLGVAFFQU-YWZLYKJASA-N 370.307 4.079 0 1 FIAF O=S(=O)(c1ccc2nc(/C=C/c3ccsc3)[nH]c2c1)C(F)(F)F 587026818 XUDOWEBRFDHWJY-DAFODLJHSA-N 358.366 4.088 0 1 FIAF Cc1coc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587341719 XHXUGMDGFODKRB-YLJYHZDGSA-N 353.349 4.102 0 1 FIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587933995 DGODHUPDLJILSE-UHFFFAOYSA-N 370.355 4.465 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCOc4c1ccc(C)c4C)[C@@H](C2)C3=O 587450205 DWVGGJLWVBZCOI-JTSKRJEESA-N 350.414 4.128 0 1 FIAF O=C(NCCc1nc2ccc(C(F)(F)F)cc2[nH]1)OCc1ccccc1 587228107 IMUAETJSRCJBLC-UHFFFAOYSA-N 363.339 4.051 0 1 FIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O 587823731 VYOWOCDONLDIPB-VOJFVSQTSA-N 364.258 4.400 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccc(F)cc4)s1)[C@@H](C2)C3=O 587427945 KISZOHOWMQZXGZ-IFXJQAMLSA-N 367.401 4.447 0 1 FIAF Brc1cncc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587018318 YUPSQZFFQGYEAE-UHFFFAOYSA-N 361.224 4.028 0 1 FIAF Cc1nc(F)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587737260 DMYUMEJLEUJXNY-BCTVWOGZSA-N 353.210 4.054 0 1 FIAF O=C(c1ccc(Br)s1)n1nc2cc1Oc1ccc(F)cc1-2 587877064 YGLPTNLUKPOUQS-UHFFFAOYSA-N 365.183 4.307 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]2[C@@H]5C[C@H]41 587825428 DEWOBBCKNPFVQW-HUVNRRSWSA-N 374.297 4.096 0 1 FIAF Cc1ccc(Cl)cc1NC(=S)n1ncc2ccc(Cl)cc2c1=O 587654576 LYFWOXSUUCHHKY-UHFFFAOYSA-N 364.257 4.257 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNc3cccc(Br)c31)O2 587374846 ZMYOIPCSVCGALN-GOSISDBHSA-N 373.250 4.016 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccnc1C(C)C 587862764 IBUBPQWMXCGXGW-UHFFFAOYSA-N 362.355 4.480 0 1 FIAF CCN(CC)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587738973 FBVUIBATSTZBNJ-SJCJKPOMSA-N 357.311 4.070 0 1 FIAF CCc1cc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)on1 962629602 BTTVKLZYQLRNRU-NFBKMPQASA-N 359.473 4.073 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(C)nn(-c3ccccn3)c2C)N1 962941897 BHYAGEPRONILAO-WAIKUNEKSA-N 371.488 4.379 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2OCCC(=O)O)N1 962940926 BANJVFWVJFCOIT-SPLOXXLWSA-N 364.445 4.035 0 1 FIAF CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@H]1NCCc2cc(C)c(F)cc21 962091182 JRNIOFOVZBIDJM-IGNZVWTISA-N 350.478 4.260 0 1 FIAF CCC[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 13446363 XQRRYJUZESLMDP-HNNXBMFYSA-N 357.325 4.259 0 1 FIAF Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1 14967487 JLRNCICXEOEQCF-LJQANCHMSA-N 354.494 4.309 0 3 FIAF Cc1ccc2nc(C)c(C(=O)N3CCC(c4ccc(F)cc4)CC3)n2c1 1857637507 YVUONPOCTYHNOP-UHFFFAOYSA-N 351.425 4.110 0 1 FIAF CC(C)c1ccc(N2C=NC(=O)C23CCN(Cc2ccccc2)CC3)cc1 1857749456 HEBJMGHNPSRGFJ-UHFFFAOYSA-N 361.489 4.220 0 1 FIAF CC(=O)c1cc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cs1 12472633 PQRYUGBTGDQSOR-OAHLLOKOSA-N 350.434 4.305 0 1 FIAF Cc1ccccc1-c1nc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2[nH]1 13652029 MNSXITDGRWFTNU-UHFFFAOYSA-N 367.412 4.181 0 1 FIAF CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3cccs3)ccc2O1 13795371 UOWMHAHUFWNDRW-UHFFFAOYSA-N 363.438 4.201 0 1 FIAF C[C@@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1C1CCCCC1 20387522 WZCXCBOVSSXHBQ-QHCPKHFHSA-N 368.521 4.225 0 1 FIAF Fc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Cl)c2n1 34647586 AIEKRKAVLKYXDY-UHFFFAOYSA-N 353.788 4.196 0 1 FIAF O=C(N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)c1ccccc1 72102146 HSSOSGXRHLAIAL-QGZVFWFLSA-N 357.335 4.015 0 1 FIAF O=C1CS[C@H](c2ccc(Br)cc2)c2c(ccc3[nH]ncc23)N1 82158197 MTTOSYLPSRIGFY-MRXNPFEDSA-N 374.263 4.100 0 1 FIAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(C)o1 103684851 WYQQDENVAPAZQC-AWEZNQCLSA-N 357.435 4.410 0 1 FIAF CC[C@H](C)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21 205827750 MYWNZTHIEBCRIC-HNNXBMFYSA-N 365.477 4.156 0 1 FIAF c1ccc(COCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 207153691 KBEJASDADNFHTC-UHFFFAOYSA-N 366.490 4.414 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H](OCC)[C@@H](O)CCCCCCCC(=O)O 231929897 BHDZXVBBVBHNKG-KZCHHRLSSA-N 358.519 4.065 0 1 FIAF CC(C)=CCc1c(O)cc2oc(-c3ccc(O)c(C)c3)c(O)c(=O)c2c1O 238737492 GYSFLDABMFUFAN-UHFFFAOYSA-N 368.385 4.100 0 1 FIAF O=S(=O)(C1CCCCC1)N1CCCc2cc(-c3cccnc3)ccc21 299821840 GSSVXLGVMSYHDP-UHFFFAOYSA-N 356.491 4.164 0 1 FIAF Cc1cc(Br)cc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c12 586906611 ONFQPEHZOJREMM-RIYZIHGNSA-N 355.191 4.302 0 1 FIAF CC(=O)O[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587099740 UVMJUTORWULWOK-AWEZNQCLSA-N 357.409 4.175 0 1 FIAF CC(C)COc1cc2nc(-c3cncc(N)c3)[nH]c2cc1Br 587253551 CPUVEKFZHHKCLP-UHFFFAOYSA-N 361.243 4.004 0 1 FIAF CC(C)OC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357926 WTDDDFUKCDBUSL-IPFXWSOASA-N 356.393 4.216 0 1 FIAF COc1ccc([C@@]2(Cc3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587395806 UEQDISJXUIXQJG-HSZRJFAPSA-N 374.440 4.084 0 1 FIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4cc(O)ccc41)[C@@H](C2)C3=O 587454362 SWJDNKVOQLFUIE-SBUREZEXSA-N 372.376 4.198 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@H]1C(=O)OCC)CC2=O 587482618 UQCKDBGHMFJFDF-KKSFZXQISA-N 360.450 4.192 0 1 FIAF CC(C)(C)OC(=O)NC[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587513125 PXZNAULSEFOQCQ-QFIPXVFZSA-N 371.477 4.204 0 1 FIAF COC(=O)c1cccc2c1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522818 HWOJBKOZPQQJMV-QHCPKHFHSA-N 362.425 4.159 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C2CC2)s1 587615676 XLXXIRCEHXYLOU-VQIMIIECSA-N 365.410 4.429 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(O)cc2F)N1 587723121 VLCVODBOCYOWIE-HYORBCNSSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2F)N1 587725733 RWFJDZIXKFEAKJ-VPTHRUTESA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c3ncccc23)N1 587759504 UGJSDFDMLAUJNR-QGHHPUGFSA-N 374.257 4.099 0 1 FIAF CC(C)[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587774012 KXZXXQJMYHORMN-KZULUSFZSA-N 363.274 4.417 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@H]1C[C@H]4[C@H]3[C@H]12 587828648 PFSFUUDFPBRGMM-FVJDBZDPSA-N 374.297 4.096 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(O)cccc32)N1 587835195 VOLPYUWTBMXKII-MGNBDDOMSA-N 362.242 4.018 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C=O)cs2)N1 587849681 VGVNTBJTQVMJMF-XXFAHNHDSA-N 368.271 4.260 0 1 FIAF CC(C)[C@@H]1C[C@@]2(CS1)N[C@H](C)Cc1cc(Br)c(F)cc12 587858495 RGZZGRKSDLFGJJ-VFVAKGGASA-N 358.320 4.479 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCOc1ccccc1 587870923 VTALXPQAPYIVIB-UHFFFAOYSA-N 354.381 4.197 0 1 FIAF COc1ccc(C[C@H](C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1OC 587925784 HSCIEDUYEOSHOM-VIFPVBQESA-N 350.340 4.344 0 1 FIAF Cc1c(F)ccc2c1[C@@](C[C@H](C)C(=O)O)(c1ccc(Cl)cc1)NCC2 962095835 XSPUBMXUIVMQPB-FKIZINRSSA-N 361.844 4.288 0 1 FIAF COC(=O)c1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1 1772610423 IASYTDFBSOPQNU-UHFFFAOYSA-N 366.461 4.187 0 1 FIAF OCCCCN1CCCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1 1857579649 DPYAMLRMBWSHCC-IBGZPJMESA-N 351.450 4.189 0 1 FIAF O=C(C=Cc1ccccc1)Nc1cccc(C(=O)NCCc2ccccc2)c1 1857621874 XGLHBFBGBIMUAM-UHFFFAOYSA-N 370.452 4.311 0 1 FIAF CCCCOc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(CO)C3)cc1CC2 1857766959 HGODQPKNZPGTKR-HRAATJIYSA-N 372.534 4.045 0 1 FIAF CC[C@H](C)CC(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@H]1[C@]23C 2356385699 VLPYWBWQNXIXGS-HUHMIYCPSA-N 360.450 4.123 0 1 FIAF CC(=O)OC[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@@H]3C(=O)OC[C@H]3[C@@H]12 2356643537 VZBPCACFUSYFQW-GFCBRGBQSA-N 362.510 4.217 0 1 FIAF CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 5459684 QTTRZHGPGKRAFB-MABYOWOGSA-N 370.533 4.497 0 3 FIAF world CCCCC/C=C1\C[C@@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O 5972955 SJBCBDAKOWZLGU-AKCCUMBPSA-N 368.514 4.033 0 1 FIAF CCCCCC[C@H](C)c1ccc2c(c1)C(=O)c1nc3ccncc3c(=O)n1-2 5973135 MWVLTABHKRFJTM-AWEZNQCLSA-N 361.445 4.399 0 1 FIAF CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 9433682 PGJZKIXYTBMZNT-MOPGFXCFSA-N 368.502 4.108 0 1 FIAF N=C(N)c1cc2[nH]c(-c3cccc(OC4CCCC4)c3O)nc2cc1Cl 13444361 ZKCSMEOONDAYCX-UHFFFAOYSA-N 370.840 4.194 0 1 FIAF Cc1nn(-c2cccc(Br)c2)c2c1c(=O)oc1ccccc12 26579947 KXVXKOSQECHEBZ-UHFFFAOYSA-N 355.191 4.203 0 1 FIAF NC(=O)[C@@H](NCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 28766978 RBNXRBVJRSVGDO-SFHVURJKSA-N 358.363 4.175 0 1 FIAF CCCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@@H](C)CC3=O 29132930 PTJFQWDFNUUMQR-NEPJUHHUSA-N 354.402 4.283 0 1 FIAF CS[C@@]12c3cc(C)sc3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 29402852 VNFZHOXHDBHTFH-YLJYHZDGSA-N 373.543 4.444 0 1 FIAF C[C@@H](Oc1cc(-n2cccn2)cnc1N)c1c(Cl)ccc(F)c1Cl 38267391 MKDWOPYFYVHZCU-SECBINFHSA-N 367.211 4.435 0 1 FIAF Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(Br)n1-2 39190079 OQTNBOMJLUEWDM-UHFFFAOYSA-N 373.641 4.034 0 1 FIAF O=S(=O)(Oc1cccc(Cl)c1)c1ccc2[nH]c3ccncc3c2c1 40877682 LTLADHKTRHOWMH-UHFFFAOYSA-N 358.806 4.137 0 1 FIAF COc1ccc2cc(/C=C/c3nc4ccccc4n4nnnc34)ccc2c1 40900112 IMKHUKMAPILKLQ-YRNVUSSQSA-N 353.385 4.005 0 1 FIAF CCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12 40917838 XUNUQRPRCURIQA-UHFFFAOYSA-N 363.457 4.076 0 1 FIAF in-vitro COc1ccc2c(NC(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1 63298420 SZALFSTUDMTGGL-UHFFFAOYSA-N 362.311 4.301 0 1 FIAF CCOC(=O)C[C@H](C)NCc1coc(-c2ccc(Cl)cc2Cl)n1 72101356 NFRGFEPUPSYXNT-JTQLQIEISA-N 357.237 4.080 0 1 FIAF COc1cc(Cl)c(C(=O)Nc2c(Cl)cncc2Cl)cc1OC 73165723 XGZQDFXJAKUENK-UHFFFAOYSA-N 361.612 4.311 0 1 FIAF CCN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccccc2F)n1 82152129 RHBRIAXZUMZOBH-UHFFFAOYSA-N 370.472 4.144 0 1 FIAF CC(C)(C)CC(=O)Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCCC2 95559135 VNJXNFKHKAGNBS-UHFFFAOYSA-N 370.465 4.093 0 1 FIAF O=c1[nH]c2ccc(Br)cc2c2[nH]c(-c3ccccc3Cl)nc12 96270729 ZBUKSUSOANBWHJ-UHFFFAOYSA-N 374.625 4.487 0 1 FIAF O=C(Nc1nc(C(F)F)cs1)c1cc(F)cc(Oc2cncnc2)c1 96938934 SIHGQEFXKAKJNH-UHFFFAOYSA-N 366.324 4.054 0 1 FIAF CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1 100529288 NCWZOASIUQVOFA-FWZJPQCDSA-N 358.444 4.280 0 1 FIAF in-man COc1ccccc1N1CCN(CC[C@@H](N=O)c2ccc(C)s2)CC1 169717032 UOWOPOUAGDNXCM-MRXNPFEDSA-N 359.495 4.085 0 1 FIAF COC(=O)[C@]1(/C=C2\c3ccccc3[C@H](OC)[C@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 195369405 ASIWMRFKVKKMJP-HSOXWWGFSA-N 362.425 4.125 0 1 FIAF Clc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2)nn1 587088291 WHHVPFVQQCVTKE-UHFFFAOYSA-N 364.792 4.112 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cncc(Cl)c2[nH]1)C1CCCC1 587227189 WGEYSQWRCQXJIO-CYBMUJFWSA-N 350.850 4.367 0 1 FIAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587243863 JRLLLGODHXLNED-IBGZPJMESA-N 371.400 4.206 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1nc(C)ccc1OC(F)F)CC2=O 587464968 DBKAXKOMWUVAHZ-INIZCTEOSA-N 363.360 4.356 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCN(c3ccccc3F)CC1)CC2=O 587465248 BSHGXSNQMWVOOR-UHFFFAOYSA-N 369.436 4.488 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2ccc(N)cc21 587468742 DAHLYQDMRWHPAH-JOCHJYFZSA-N 367.445 4.349 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(OC)c(OC)cc31)CC2=O 587475593 AYHLFYWKMLDWMC-QFIPXVFZSA-N 368.429 4.169 0 1 FIAF CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1N 587511221 OAOZUGUKMGLUFV-QFIPXVFZSA-N 351.446 4.427 0 1 FIAF O=C1C[C@@](c2ccccc2)(c2cncnc2)Oc2c1ccc1c2CCCC1 587514859 KOXJFASNMMCKSH-HSZRJFAPSA-N 356.425 4.264 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2c1cccnc1 587584898 BNXKTEGHNZLRQR-KPDCDPCYSA-N 373.408 4.455 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)s1 587610798 HDWHKUOXCSVKPP-XJKSGUPXSA-N 359.790 4.205 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2Cl)N1 587692002 AIJNQWMBAQDZLQ-AYVTZFPOSA-N 355.638 4.260 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(O)c2)N1 587722635 ZCQDHFMWSRJGMH-PWJLMRLQSA-N 354.194 4.057 0 1 FIAF CC(C)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C 587761407 BGBLKTLJCJHAGJ-BMLIUANNSA-N 366.278 4.069 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncccc3o2)N1 587778335 MDUKOJYGLQKSPZ-HUTHGQBESA-N 361.214 4.353 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3c[nH]cc32)N1 587795476 XKYGTTPKPFZTOE-BBATYDOGSA-N 363.274 4.421 0 1 FIAF CCOc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587855398 VKBMWLKYLGLYAQ-RTHLEPHNSA-N 371.275 4.067 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1scnc1C 587863492 AQVFDCQJEJOEBX-UHFFFAOYSA-N 367.352 4.031 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2ncccc2c1 587870282 CZHCOKYBUPPNPX-UHFFFAOYSA-N 361.376 4.325 0 1 FIAF Brc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cn1 587950821 NWZIINWFQUAXJN-UHFFFAOYSA-N 362.271 4.206 0 1 FIAF COc1ccc2c(c1OC)[C@@](C)(c1cc3c(s1)CCC3)N(C)[C@@H](C)C2 962628075 GSBGDUHKNIQXGX-YEJXKQKISA-N 357.519 4.394 0 1 FIAF O=C(Nc1cccc(F)c1)c1cc(O)nc2cc(-c3ccncc3)ccc12 1857634370 PQQOIQDBINFZBY-UHFFFAOYSA-N 359.360 4.394 0 1 FIAF Cc1ccccc1C1=NN(C(=O)CC2CCCCC2)[C@@](O)(C(F)(F)F)C1 1857752821 GZBWHRBGBVWUEX-SFHVURJKSA-N 368.399 4.153 0 1 FIAF CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4COC[C@@]4(CCC(=O)O)C3=CC[C@@]12C 2356324884 LTMONJJANNHFRQ-KZYCEEORSA-N 358.478 4.156 0 1 FIAF COc1cc2c(cc1O)O[C@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)C=C4 2356543060 DDBMMQROTYGJPU-XOBRGWDASA-N 352.386 4.195 0 1 FIAF Cc1[nH]nc2c1[C@@H](c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)C2=O 199729657 AYCMMKDNZOPNJW-GOSISDBHSA-N 371.362 4.482 0 3 FIAF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1CCc1ccccc1 596256 MEOPUGZDBPCXEQ-UHFFFAOYSA-N 361.441 4.434 0 1 FIAF Cc1nc2cc3c(Nc4cccc(Br)c4)ncnc3cc2[nH]1 3815052 KCNKSDOEWSRVHK-UHFFFAOYSA-N 354.211 4.321 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295710 NGRJGAMRAFGTDG-MJGOQNOKSA-N 374.843 4.487 0 1 FIAF COCc1cccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)n1 13673139 LOGWZSDHKGXNDR-SFFCKJHOSA-N 355.478 4.245 0 1 FIAF O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cccc3ccoc23)CC1 29466432 YZLUVLPNLMYVEU-NHCUHLMSSA-N 351.421 4.410 0 1 FIAF O=C1NC(=O)c2c1c(-c1cccc(Cl)c1)cc1[nH]c3ccc(O)cc3c21 34804142 AYCCISQYVVNGRP-UHFFFAOYSA-N 362.772 4.231 0 1 FIAF CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Cl)cc1 40423962 QMFWCFHDKMWFND-IBGZPJMESA-N 374.868 4.034 0 1 FIAF CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 45260361 SFCDAKWBZXPGLA-CABCVRRESA-N 357.281 4.265 0 1 FIAF O=C(c1ccccc1)c1nc2ccccc2n2c(-c3ccccc3)nnc12 64528114 LUNLJDDDZUHJRI-UHFFFAOYSA-N 350.381 4.176 0 1 FIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100854116 RQTWPNKOATVIPT-HRRHRQTFSA-N 352.261 4.033 0 1 FIAF O=C1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 138985328 CQDQNZHZKWKRRZ-UHFFFAOYSA-N 360.417 4.182 0 1 FIAF C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC2(CCC(O)CC2)OC1=O 169072019 GLQMGCYGKWSFQC-VWDMACCTSA-N 357.372 4.282 0 1 FIAF Cc1cc(Br)cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 586908769 RBJIRMHOQYWCNJ-UHFFFAOYSA-N 357.207 4.272 0 1 FIAF N=c1[nH]ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015914 YDRCKCHYIWKYAE-UHFFFAOYSA-N 362.245 4.468 0 1 FIAF N[C@@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1ccccc1Cl 587055500 DKFQMXPGKPBBQZ-NSHDSACASA-N 368.637 4.360 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(NC(=O)OC(C)(C)C)c1)O2 587389944 MWVKJTFCENLDFM-MRXNPFEDSA-N 369.421 4.026 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CCC1)([C@H](C)C(=O)OC(C)(C)C)O2 587399253 HTLJOLUINJZDMK-ASSNKEHSSA-N 359.466 4.059 0 1 FIAF CC[C@@]1(c2cc(F)c(OC)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422499 DYHPVKPOPXCLQS-XCLFUZPHSA-N 360.356 4.035 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1sc(C(C)(C)C)cc1N)[C@@H](C2)C3=O 587449709 CIAHAYLWYUEVFQ-YUNKPMOVSA-N 357.475 4.299 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CCCCN1)CC2=O 587483756 LMBWUYSDKXIBBA-FYYLOGMGSA-N 365.473 4.348 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cnccc3nc1C)CC2=O 587489498 MKZGKRZCAKEPCQ-JOCHJYFZSA-N 362.429 4.477 0 1 FIAF C[C@]1([C@@H]2CC2(Cl)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540817 BURPSRMTVVDUNS-GRDNDAEWSA-N 365.212 4.306 0 1 FIAF COc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587558482 SOQXYYWAPQUOND-NQIIRXRSSA-N 366.344 4.243 0 1 FIAF Cc1ccc(OCc2nc3cccc(I)c3[nH]2)cc1 587565624 NSXLHTOSUNKYGW-UHFFFAOYSA-N 364.186 4.055 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cnc1F 587571976 SWELLPJJCPHDOY-YJBOKZPZSA-N 371.751 4.283 0 1 FIAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)n1 587589623 WDJRTJHSCXPUSP-SIKLNZKXSA-N 361.397 4.281 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cnc2Cl)N1 587737320 ZHESPJHFRHIOBD-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(C)(C)C)(C(=O)O)N1 587827956 MLXOUJCWIPABIT-BTDLBPIBSA-N 372.278 4.229 0 1 FIAF C(=C1C2CC3CC(C2)CC1C3)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587968488 UFKLSTKFTKFMLU-UHFFFAOYSA-N 363.505 4.235 0 1 FIAF Cc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1Cl 962960410 GBLALBLSSGVYHX-BBRMVZONSA-N 372.198 4.268 0 1 FIAF Cc1sc2c(c1C)CCN[C@@]21CN(Cc2ccccc2)C[C@H](C)[C@H]1C 963018497 GFWGBNGGPOLHBJ-LBUQITIBSA-N 354.563 4.494 0 1 FIAF Cc1cc(O[C@@H]2CCN(C(=O)Nc3ncc(Cl)s3)C2)ccc1Cl 2382256217 LUSWBGKAUNFMSF-LLVKDONJSA-N 372.277 4.444 0 1 FIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2cc3ccccc3[nH]2)c1C 3923832 DDHYLTHTVGYIBP-UHFFFAOYSA-N 367.430 4.241 0 1 FIAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)c(Cl)c1 4162325 SFBCQDCNWIHWHN-ATNYCFDYSA-N 365.816 4.444 0 1 FIAF CO[C@H]1c2c(c3c(c4c(C)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@H]1C 14930287 NEHHJJDJNPBYJK-PSTGCABASA-N 356.418 4.390 0 1 FIAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2c(C)c(C)ccc32)cc1OC 26668142 HRQBRNSKRJHFLA-SFHVURJKSA-N 350.462 4.231 0 1 FIAF COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1CCC(Cc2ccccc2)CC1 28634770 XYCUTALELYDXDC-LADGPHEKSA-N 363.501 4.072 0 1 FIAF CCC[C@@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@@H](Cc4ccc(OC)cc42)[C@@H]13 29475133 CWLFBVVMPWYBAR-LDLZHSJESA-N 367.533 4.369 0 1 FIAF C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)c1ccc[nH]1 34315784 VZUZYJRNXGEFQV-XEEUVWLMSA-N 366.505 4.111 0 1 FIAF COc1ccc(Oc2cc(NCc3cccnc3)ncn2)c2ccccc12 82068320 FWXSCAZVUHNDBO-UHFFFAOYSA-N 358.401 4.438 0 1 FIAF COCCn1c(-c2ccc(C)o2)nc2c(NC3CCCCCC3)ncnc21 82190116 NSTLAHUDMDQCIS-UHFFFAOYSA-N 369.469 4.176 0 1 FIAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccccc2Cl)cc1 100109132 PDVFRLLRNBRKOI-FCHAAHNYSA-N 367.880 4.345 0 1 FIAF C[C@@H]([18F])C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 101031965 QPOSPHNNBYIFHO-BYNNLANUSA-N 353.472 4.085 0 1 FIAF Cc1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 106598904 GPXJJKTXXJZJHM-ODAXIHTASA-N 365.432 4.392 0 1 FIAF biogenic Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4)cc3)n(CCO)c2c1 144707312 CZBOSGMAWBEBPS-UHFFFAOYSA-N 372.424 4.369 0 1 FIAF CN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)[C@H](O)c2ccccc21 169346093 CJFCYSLHIHOZLA-JOCHJYFZSA-N 357.453 4.168 0 1 FIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 586909317 YJJYCLDKEGAHCN-MRVPVSSYSA-N 363.186 4.045 0 1 FIAF N=c1[nH]ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586974141 BWAPKHMUJFXDLZ-UHFFFAOYSA-N 358.026 4.107 0 1 FIAF Cc1cc(Br)cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c12 587021689 NQNYFNXADBAKGQ-UHFFFAOYSA-N 374.267 4.158 0 1 FIAF N[C@@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccccc1Cl 587058371 UNMBNHIOLGTDIS-LBPRGKRZSA-N 350.647 4.221 0 1 FIAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(OC(C)C)cc2[nH]1 587064937 IPNWBJPVFSGRAA-UHFFFAOYSA-N 374.824 4.404 0 1 FIAF Cc1c(F)ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12 587073150 DBQLFTDMDSVJTN-UHFFFAOYSA-N 355.804 4.279 0 1 FIAF CCS(=O)(=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587084654 FMLOIDCWKHIZKM-UHFFFAOYSA-N 371.849 4.225 0 1 FIAF COc1ccc(Cc2nc3ccc(Br)c(F)c3[nH]2)c(F)c1 587149968 XBMHYSNKRLGKKZ-UHFFFAOYSA-N 353.166 4.203 0 1 FIAF N=c1[nH]c2nc(/C(=C/c3ccc(F)cc3)c3cccs3)nc-2c(Cl)[nH]1 587163367 IGWBRYKHEKHZEX-DHZHZOJOSA-N 371.828 4.160 0 1 FIAF CC(C)CC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353071 KZGIRYASIUREIY-PZJWPPBQSA-N 356.393 4.264 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2c(C(=O)O)cccc21 587408966 RWWIEZMGBZYRCF-HSZRJFAPSA-N 371.392 4.165 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587421605 QGNRJEGQHPRRIU-SCLBCKFNSA-N 364.319 4.082 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cnn3C(C)C)CC2=O 587475462 MDSNBJKNEGMOFX-NRFANRHFSA-N 354.450 4.319 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cc3ccc[nH]3)[nH]1)CC2=O 587488162 ZNICCFCXRRHZOX-FQEVSTJZSA-N 350.418 4.298 0 1 FIAF CCC1(CC)[C@H](OC)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601075 QKWHVFKVAPJNCD-HMFYCAOWSA-N 368.429 4.318 0 1 FIAF Cc1coc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615218 FMMPIWVVQMLTDF-RXVVDRJESA-N 350.370 4.479 0 1 FIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(O)c2c1 587650109 XFIKPAZYGVSVRZ-UHFFFAOYSA-N 356.230 4.251 0 1 FIAF COc1ccsc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587843642 JLIYQCQJBAWLMJ-CLAHSXSESA-N 356.260 4.282 0 1 FIAF COC(=O)c1cc2nc([C@H](C)c3ccc4cc(OC)ccc4c3)[nH]c2cn1 587934620 KDBNSELBXRJMMN-GFCCVEGCSA-N 361.401 4.058 0 1 FIAF CCNC(=O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 653702313 VYLBRDYQYRNXLN-UHFFFAOYSA-N 369.428 4.185 0 1 FIAF COc1ccc2c(c1)[C@]1(CCC3(CCCC3)C[C@@H]1CN)N(C(C)C)CC2 962092977 RPZRJADVBQJKKE-AUSIDOKSSA-N 356.554 4.476 0 1 FIAF Cc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1Cl 962960411 GBLALBLSSGVYHX-CJNGLKHVSA-N 372.198 4.268 0 1 FIAF CC(C)(C)O[C@@H]1C[C@]2(c3c(F)cccc3C[C@@H]3CCCN32)[C@H]1n1cccn1 963108748 YIHJOLGWXHXUQO-UPSSIMKTSA-N 369.484 4.067 0 1 FIAF CCC(=O)Nc1cc2c(N[C@H](C)c3ccccc3)ncnc2cc1OC 1772617006 MGAIHODHEWSWBP-CYBMUJFWSA-N 350.422 4.160 0 1 FIAF O=c1nc(-c2ccc(OCc3ccc(F)cc3F)cc2)[nH]c2ccccc12 1772650868 JHDBNFXRMWLNDK-UHFFFAOYSA-N 364.351 4.447 0 1 FIAF O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cc3ncc(Cl)cc3[nH]2)C1 1857580120 QJUQIKIZLBGNPP-CYBMUJFWSA-N 357.816 4.375 0 1 FIAF COCC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCC(=CC(=O)O)CO 2356565196 RRINIBHGKGLNCO-OPYAIIAOSA-N 350.499 4.195 0 1 FIAF CCCSc1nnc2nc3c(c(O)n12)[C@](C)(CC)Cc1ccccc1-3 2246474 GCXVULRHBYJRCJ-LJQANCHMSA-N 354.479 4.223 0 1 FIAF CCCCCC(=O)N1CC[C@H](CC(=O)NC2CCCCC2)[C@H](CC)C1 25428236 YUSNJYZODMBBNA-QZTJIDSGSA-N 350.547 4.280 0 1 FIAF biogenic CC[C@@H](Oc1cccc2ccccc12)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28100776 DONQHEMPIDPWDX-NHJHPMQKSA-N 353.462 4.166 0 1 FIAF CCCN(CCC)[C@H]1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1 29340984 GMKQIBRZRXDXMT-LJQANCHMSA-N 367.489 4.352 0 1 FIAF COc1ccc(-c2nccn2C(=O)c2ccccc2Br)cc1 43078064 XTCWLGPWLHMFJR-UHFFFAOYSA-N 357.207 4.010 0 1 FIAF CCNC(=O)Nc1nc2ccc(-c3ccc(OC)cc3OC)cc2s1 95603474 CDHFVLPTCLJWSA-UHFFFAOYSA-N 357.435 4.122 0 1 FIAF CCCCC[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCCCCC(=O)O)OCC 115330337 IEEBTNFNSJRPDT-WSECZEOJSA-N 358.519 4.065 0 1 FIAF CN(Cc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)C1CCCCC1 168526895 SKYMPYFEVOMLIQ-UHFFFAOYSA-N 365.521 4.004 0 1 FIAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccccc2)s1 253752235 KMHHAGQMYNMKGL-RLELNZLLSA-N 365.498 4.454 0 1 FIAF O[C@H]1CC[C@@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 586898436 IBULBPGRKIYOCY-OCAPTIKFSA-N 363.177 4.363 0 1 FIAF Cc1ncc2c(n1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988862 YGJKADXCOPYQNS-UHFFFAOYSA-N 365.392 4.016 0 1 FIAF Nc1ncnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc12 587082500 QEFAYIYZSHZGQU-UHFFFAOYSA-N 372.819 4.471 0 1 FIAF Cn1nccc1[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587105064 MSVBSJXKFVGSAX-CQSZACIVSA-N 365.436 4.452 0 1 FIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(C(F)(F)F)c1 587381771 LMLJJSNWZPGYGH-INIZCTEOSA-N 351.324 4.311 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H]1CCCN1C(=O)OC(C)(C)C)O2 587396141 PRXWQESQGIBWQB-QKKBWIMNSA-N 374.481 4.091 0 1 FIAF COc1cc2c(cc1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)CC2(C)C 587404761 ZFSQBIDHFTZESX-JOCHJYFZSA-N 367.445 4.136 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)s1)O2 587411786 VSWPHCYZZXWTFC-HNNXBMFYSA-N 352.253 4.282 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OC)c1C)CC2=O 587478892 KRMSHSOAZYBBNI-LJQANCHMSA-N 356.418 4.377 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(OC)c(OC)c1O)CC2=O 587480176 NVNCOPJQYJXFGB-MRXNPFEDSA-N 372.417 4.082 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1coc3ccc(C)cc3c1=O)CC2=O 587491195 NSXXWZKGOJNLQU-FQEVSTJZSA-N 364.397 4.466 0 1 FIAF Cc1[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1CCC(=O)O 587526586 QFRPXBNMOAPZSS-IBGZPJMESA-N 367.445 4.234 0 1 FIAF C[C@]1(c2ccc(Cl)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551072 CSWHOZLTNHVHPG-FXAWDEMLSA-N 367.788 4.318 0 1 FIAF Cc1csc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587610380 FPRMHYDWNDNIFE-HNAYVOBHSA-N 353.399 4.034 0 1 FIAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3cccc(F)c3)[nH]c12 587638015 HYJZEWXZMXKQLG-UHFFFAOYSA-N 351.255 4.417 0 1 FIAF Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1C 587855527 WMFUTKYJJUCZNH-JKYUHCHBSA-N 355.276 4.285 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NC1CCC1 587866913 MLUKXPQLHBTMTP-UHFFFAOYSA-N 369.412 4.243 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)C[C@@]3(c4ccoc4)OC[C@]14C(C)=CCC[C@@]24O3 2356458003 FZQSAOXOUTXHTL-HJVCHBGASA-N 372.461 4.326 0 1 FIAF C[C@H](O)[C@@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356496671 OCGURTBICGSGSG-HLWATAJISA-N 359.554 4.055 0 1 FIAF CCC=CCC=CCC=CCC=CCCCCC(=O)OC[C@@H](O)CO 2356510420 YICVZGXPPMTJCG-FQEVSTJZSA-N 350.499 4.248 0 1 FIAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@H]2C(=O)CC[C@@H](C)[C@@]12C 2356619283 ZHYSGQLQAZCSGC-PHUZRIEPSA-N 360.450 4.197 0 1 FIAF CCCNC(=O)[C@@]1(C)CCN(Cc2ccc(OCc3ccccc3)cc2)C1 61906952 FVNBHNMLTBWCCB-QHCPKHFHSA-N 366.505 4.004 0 3 FIAF COc1ccc(-c2csc([C@H](NC(C)=O)c3cccc(F)c3)n2)cc1 61908920 GDVCLCYWQPUGOP-GOSISDBHSA-N 356.422 4.183 0 3 FIAF C[C@@H](CNS(=O)(=O)C(F)(F)F)c1ccc(-c2ccccc2F)cc1 13835042 IBHFIFRDYCECIF-NSHDSACASA-N 361.360 4.035 0 1 FIAF CC[C@]12CCCn3c(C(=O)OC)cc(c31)-c1ccccc1NC(=O)CC2 26268918 AHHCKJBNIXXSCQ-OAQYLSRUSA-N 352.434 4.116 0 1 FIAF COc1cc(C(=O)c2sc3cc(C)ccc3c2N)cc(OC)c1OC 28466373 DUHXHINAOXQPMB-UHFFFAOYSA-N 357.431 4.049 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)c1ccc[nH]1 34315785 VZUZYJRNXGEFQV-AMLHBDFJSA-N 366.505 4.111 0 1 FIAF CCC[C@@H](CNCc1cccc(C)c1)CNc1cc(=O)c2ccccc2[nH]1 45229078 UFSPJUYZFRFNSL-IBGZPJMESA-N 363.505 4.455 0 1 FIAF NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1C1CCCCC1 45337226 MUQOWMZMUVGSPN-HXUWFJFHSA-N 359.901 4.176 0 1 FIAF Cc1ccc(C)c(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)c1 72185288 VBRHDQDTVRICHT-UHFFFAOYSA-N 365.452 4.420 0 1 FIAF O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1cccc(F)c1 95579008 OTNNXBAYBHPBLA-UHFFFAOYSA-N 370.255 4.434 0 1 FIAF CN(C(=O)Nc1ccc2ccccc2c1)c1nnc(-c2ccncc2)s1 96935098 HBWRFJGALXZZOA-UHFFFAOYSA-N 361.430 4.422 0 1 FIAF Cc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Br)c1)C1=C(CCCC1)N2 103157191 JEFCDZJPJLDJED-HNNXBMFYSA-N 372.266 4.226 0 1 FIAF Nc1ccccc1CCc1cc(Br)c(O)c(Br)c1 139477742 SXDOGVMWXUVNDE-UHFFFAOYSA-N 371.072 4.285 0 1 FIAF COc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140214806 YRPFGKXIWYXGHT-UHFFFAOYSA-N 368.440 4.304 0 1 FIAF N=C(N)Nc1cccc(Cc2ccc(NC(=N)Nc3ccccc3)cc2)c1 169326459 LZHRIBRIYHXUIT-UHFFFAOYSA-N 358.449 4.042 0 1 FIAF Cc1cc(COc2cc(C)nn2-c2ccccc2)n(Cc2ccccc2)n1 169346032 BRGLRTNWNNXNDM-UHFFFAOYSA-N 358.445 4.313 0 1 FIAF C[C@@H](O)/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O 169622223 FRJZMMUVPROLHN-PXDZPDTHSA-N 360.494 4.491 0 1 FIAF CN(C)Cc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 207637341 PCZCNEBONPFKNG-UHFFFAOYSA-N 369.421 4.112 0 1 FIAF O=C1c2c(ccc3ccccc23)O[C@H]2c3[nH]c4ccc(O)cc4c3CCN12 220400732 SVGZOZFOEZHXLM-QFIPXVFZSA-N 356.381 4.116 0 1 FIAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(C)=O)CC3)cc12 226097556 XHJXGNSUJCRMHR-UHFFFAOYSA-N 365.408 4.013 0 1 FIAF CCOC(=O)c1cnc2scc(-c3ccc(Br)cc3)n12 299820881 DAWNYEAYDAVKIP-UHFFFAOYSA-N 351.225 4.002 0 1 FIAF O=C1C[C@@H](CCc2cccnc2)Oc2c(Br)cc(Cl)cc21 299841137 YDXRWQYUVIAKSB-GFCCVEGCSA-N 366.642 4.464 0 1 FIAF COc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1C 587119593 FKWGQFPAJVPWJO-UHFFFAOYSA-N 364.371 4.022 0 1 FIAF CSc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587120099 QYDVHOYVEBMALQ-UHFFFAOYSA-N 366.412 4.427 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ncc(Br)cc3o1)O2 587370024 ALPPJBZQICDFCN-INIZCTEOSA-N 373.206 4.187 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3c(C)cc(F)cc13)CC2=O 587472474 RGPDCMFUZNHEDB-QGZVFWFLSA-N 354.381 4.375 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3ccc(OC)cc31)CC2=O 587485009 PIXQWEPNQWDRRL-NRFANRHFSA-N 353.418 4.030 0 1 FIAF CC(C)(C)N1C[C@@H]2CC[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 587518503 JQKQALSRRNVBPO-NWMVZANLSA-N 353.506 4.410 0 1 FIAF CCOC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c1C 587524984 LJKNYKZOFARMPF-LJQANCHMSA-N 353.418 4.085 0 1 FIAF COc1ccc2[nH]c(O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587528284 YOTUKVXSNYIRQN-LJQANCHMSA-N 363.413 4.467 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccnc2n1 587589184 WBXXGENOHQIECL-NQIIRXRSSA-N 370.364 4.038 0 1 FIAF CC[C@@H](C)c1ccc2[nH]c(-c3c(C)nn(C)c3C)c(C(=O)C(=O)OC)c2c1 587642360 LQJQKLSDLXQMSO-LLVKDONJSA-N 367.449 4.054 0 1 FIAF COc1ccc(C)cc1C(=O)CCc1nc2cccc(Br)c2[nH]1 587788160 XZESITQWOCLJTD-UHFFFAOYSA-N 373.250 4.458 0 1 FIAF CC(C)C(=O)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812609 JQGDPCLVHWNKIM-DIFFPNOSSA-N 356.279 4.343 0 1 FIAF CC(=O)c1ccc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874068 UBJAGJLSBYNWOF-GFCCVEGCSA-N 366.348 4.105 0 1 FIAF CC1=C(c2ccc3nc(/C=C(/C)C4CCCCC4)[nH]c3c2)NNC(=O)C1 587967466 KGERSIBQHRWUCI-RAXLEYEMSA-N 350.466 4.302 0 1 FIAF Cc1cc2c(cc1F)[C@@H](c1ccc(-c3ccc4c(c3)C(=O)OC4)o1)NCC2 962296884 HOCCECPKBUVNCX-NRFANRHFSA-N 363.388 4.300 0 1 FIAF Cc1cc2c(cc1F)[C@@]1(CCNc3c(Br)cccc31)NCC2 962302051 SQIAVFSNTZQIPA-SFHVURJKSA-N 361.258 4.102 0 1 FIAF O=C(O)CC[C@H]1CCc2cc(-c3cc(OC4CCC4)cnc3F)ccc2O1 1772630227 HGDFRNBNPYHIOH-MRXNPFEDSA-N 371.408 4.377 0 1 FIAF CCOCCCNC(=O)c1csc(Nc2cc(C)c(Cl)c(C)c2)n1 1857572443 TVUDAFUMGSHGQT-UHFFFAOYSA-N 367.902 4.313 0 1 FIAF O=C(c1ccc(-c2ccc(O)cc2)s1)c1cc(F)c(F)c(O)c1F 1857771762 JALWXIABVXDUPN-UHFFFAOYSA-N 350.317 4.475 0 1 FIAF CN[C@@H]1[C@@H]2[C@H]([C@H](C)CCC=C(C)C)CC[C@](C)(NC)[C@@H]2CC[C@]1(C)O 2356838140 LQPCKHOVOWLRIL-LTABAFLCSA-N 350.591 4.122 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4055515 FIFQEWPXKVJWPW-WBVHZDCISA-N 362.882 4.410 0 1 FIAF c1ccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)nc1 13610215 JXOQKLKYTBKPPQ-UHFFFAOYSA-N 373.416 4.113 0 1 FIAF CCCCNCCCNCCCCCCCCNCCCNCCCC 13650036 WYRVRHRVPPGREQ-UHFFFAOYSA-N 370.670 4.066 0 1 FIAF CCCN(C(=O)C(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682550 PTWCKMHWFHZZCQ-UHFFFAOYSA-N 371.321 4.398 0 1 FIAF CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 22927024 GXWCBMVAILMLDT-UHFFFAOYSA-N 374.475 4.098 0 1 FIAF O=C(Nc1ccc(Sc2ccccc2)cc1)O[C@@H]1CN2CCC1CC2 28521256 JVJNYAAQZSRQDR-LJQANCHMSA-N 354.475 4.481 0 1 FIAF C1=C(c2ccc(CCN3CCC3)cc2)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 36289130 IZMCDSYPUGPXLN-UKILVPOCSA-N 358.529 4.470 0 1 FIAF CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(-c2ccccc2F)cc1 40872613 GYFKLQQEFVYNDD-KNQAVFIVSA-N 366.480 4.498 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4cccs4)cc3)[nH]c2c1 64527455 FFLACNAXGFCCBT-UHFFFAOYSA-N 354.456 4.362 0 1 FIAF O=C1CCc2cc([C@H](c3ccncc3)c3cccc(F)c3)cc3c2N1CC3 95593976 ZZBHFQHOABMONM-JOCHJYFZSA-N 358.416 4.236 0 1 FIAF O=S(=O)(c1ccccc1)c1ccc(C2CCNCC2)c2ccccc12 299823076 DBAIFZIMMLSUDS-UHFFFAOYSA-N 351.471 4.140 0 1 FIAF Cn1ccc2c1CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986934 HQKJDAPRTJVWDF-UHFFFAOYSA-N 352.393 4.256 0 1 FIAF COc1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2cn1 587065388 PHGJOSNESVCGBA-UHFFFAOYSA-N 353.813 4.089 0 1 FIAF CCOC(=O)[C@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587097953 PLUCPVFOKLFSMT-CYBMUJFWSA-N 357.409 4.033 0 1 FIAF Fc1cnc(Cl)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 587231731 FYBFWXMPTYTBCR-UHFFFAOYSA-N 356.788 4.300 0 1 FIAF CO[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353003 KNRYTGRCPAJTJP-PBEJRMEISA-N 356.393 4.218 0 1 FIAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)c1 587383431 WRGVODFSUOPQIX-SFHVURJKSA-N 365.351 4.485 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccc(C(C)C)cc1)(C(C)(C)O)[C@@H](C2)C3=O 587450663 NYTJIFWECSFFFM-FDDCHVKYSA-N 366.457 4.232 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](Cc1c(Cl)ncnc1Cl)CC2=O 587463086 VYPGKZYCUGRFAI-SECBINFHSA-N 367.232 4.018 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@@](C)(O)C[C@@H]1C[C@H]3CC[C@H]1C3)CC2=O 587488529 KMGYCGBLJUWSER-CSTRMUINSA-N 358.478 4.256 0 1 FIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1O 587609344 OJEDKTZEVPBGJU-XMSQKQJNSA-N 362.381 4.418 0 1 FIAF COc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)c1 587639283 ZSIRXIQIHLWJKG-UHFFFAOYSA-N 363.291 4.125 0 1 FIAF COc1c(F)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587722584 STEOSWYGRQQENU-ABKXIKBNSA-N 368.221 4.360 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nccs1 587867043 QPMLKRZZCZAPTF-UHFFFAOYSA-N 367.352 4.113 0 1 FIAF Cc1cc(C)cc(-c2cc([C@@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)on2)c1 963027418 NWPSKHRYWNYOEH-QMHKHESXSA-N 373.456 4.101 0 1 FIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCC[C@H]3CCCC[C@@H]32)N1 963229794 QAHMUUNSNIOKBR-LIAPIHHBSA-N 350.462 4.019 0 1 FIAF COc1ccc(NC(=O)c2cccc(C3(CNc4ccccc4)CC3)c2)cn1 1857590434 MYAMQVRMKGOPNA-UHFFFAOYSA-N 373.456 4.486 0 1 FIAF CC(=O)NCc1ccc(-c2cc(Cl)cc(C3(C(=N)N)CCC3)c2)cc1 1857611840 NKMSNMSIFMVTBR-UHFFFAOYSA-N 355.869 4.001 0 1 FIAF C[C@]12CC=CC[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 2178320005 WCDFMUOOGAWBSI-MITUEXOSSA-N 356.506 4.410 0 1 FIAF O=C(NC1CCCC1)c1ccc(C[S@@](=O)Cc2ccc(Cl)cc2)o1 6895783 NXYDAULGQQGKJZ-XMMPIXPASA-N 365.882 4.054 0 3 FIAF Cc1ccc(CSCc2ccc(C(=O)NCc3ccccn3)o2)cc1 3006251 ZNMLKGUSWGHNIV-UHFFFAOYSA-N 352.459 4.346 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4Cc5cn[nH]c5N[C@@]4(C)CC[C@H]32)C1 5500819 CMWJNGXQGRDRCC-QFJIJFTOSA-N 369.509 4.231 0 1 FIAF COC(=O)c1cc(C)ccc1[C@H]1CN=N[C@@]12Cc1c(C)cc(C)cc1C2=O 5539780 KLKQGXZLJBEEQM-KNQAVFIVSA-N 362.429 4.126 0 1 FIAF COc1ccc(-c2cc3c(NC(=O)CC4CCCC4)ncnc3o2)cc1 14946134 ZXBIDCJJNNCZQL-UHFFFAOYSA-N 351.406 4.417 0 1 FIAF COc1ccc(/C=C/C(=O)Nc2nc3ccc(Cl)cc3s2)cc1O 45254809 HLDQIXHYIMWYDV-XVNBXDOJSA-N 360.822 4.316 0 1 FIAF FC(F)(F)c1ccccc1Sc1ccc2c(c1)N1CCNC[C@@H]1C2 71294255 UKYFWIJBZBSYQT-ZDUSSCGKSA-N 350.409 4.191 0 1 FIAF CC[C@@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc(C)c1 82146456 PFACRMACOIXUOL-QGZVFWFLSA-N 366.509 4.217 0 1 FIAF CC(C)NC(=O)[C@@H]1CCCN1c1nc(-c2cccc3ccccc23)cs1 82191941 CNDYEZPORXBXSS-IBGZPJMESA-N 365.502 4.457 0 1 FIAF CCc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC)cc1 100704179 HSTYCDOQYNXZPC-FQEVSTJZSA-N 369.461 4.247 0 1 FIAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CO[C@@H](O3)O2)cc1 101364382 NGUSEKDHYWDTPQ-PMACEKPBSA-N 355.390 4.359 0 1 FIAF O=C(Nc1cc(Cl)cc(Cl)c1)C1=C(O)[C@H](c2ccccc2)OC1=O 101456117 YMQTUKGWLPJLEJ-HNNXBMFYSA-N 364.184 4.042 0 1 FIAF COc1ccc(-c2nc3ccccn3c(=O)c2-c2ccc(OC)cc2)cc1 103238367 DGWVLWGJCXCPHD-UHFFFAOYSA-N 358.397 4.046 0 1 FIAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)N[C@H](c1cccc(F)c1)C2 145623334 OVIKULQZKDKREZ-ZDUSSCGKSA-N 359.451 4.026 0 1 FIAF COc1ccc(-c2cccc(-c3ccc(OC)c(OC)c3)n2)cc1OC 169312261 BNOGVEYSYDOOJX-UHFFFAOYSA-N 351.402 4.450 0 1 FIAF C[C@@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@@H]1c1ccccc1 169343385 IRDDNKFJTNXDHC-XPTSAGLGSA-N 365.212 4.421 0 1 FIAF C[C@@H]1CC[C@H]2[C@@H](C)CO[B-]3(OC[C@H](C)[C@@H]4CC[C@@H](C)C[C@H]4O3)O[C@@H]2C1 195354298 YHUCMVUEYGRWTD-FRXKXTCOSA-N 351.316 4.397 0 1 FIAF CC(C)c1ccc(-c2ccc3c(c2)C(=O)N(Cc2ncccn2)CCO3)cc1 206196672 MWEJLPTXKSYOJU-UHFFFAOYSA-N 373.456 4.302 0 1 FIAF Cc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)n1 212149908 BNJPECHTHLBYPM-UHFFFAOYSA-N 351.385 4.023 0 1 FIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cncc(Cl)c3[nH]2)c1 586915909 SJCRFNDJWOKPFQ-UHFFFAOYSA-N 365.776 4.380 0 1 FIAF CCn1cc(Br)c(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)n1 586999677 BFPBBBNANCASGD-UHFFFAOYSA-N 374.069 4.439 0 1 FIAF COC(=O)c1cc2[nH]c(-c3ncsc3-c3ccccc3)nc2cc1OC 587028356 TYIPGJMQOKCKCA-UHFFFAOYSA-N 365.414 4.149 0 1 FIAF COc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2n1 587044332 SIBBWGUHVKZFPS-UHFFFAOYSA-N 359.476 4.024 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587060443 GHWAMVYHLCYCQM-UHFFFAOYSA-N 366.808 4.240 0 1 FIAF O=C(O)c1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1F 587074377 UMWWHAUPVYCJKL-QGZVFWFLSA-N 373.815 4.391 0 1 FIAF COc1ccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C(F)(F)F)c1 587097810 NWMGMHDQJJJAQL-UHFFFAOYSA-N 354.259 4.095 0 1 FIAF Cc1c(Br)cnc2nc(-c3ccc(OC(F)F)cc3)[nH]c12 587131130 ZENWWDLFWOCBIQ-UHFFFAOYSA-N 354.154 4.297 0 1 FIAF Cc1c(Br)ccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c12 587137272 WWBHXWSBQBQYCZ-UHFFFAOYSA-N 356.145 4.300 0 1 FIAF COc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)CC(=O)c2cc(C)cc(N)c2O1 587396815 PNOAJQGVRUUCAV-QFIPXVFZSA-N 362.429 4.264 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)ccc1OC)[C@@H](C2)C3=O 587445136 XGABWVJOFQRYMS-KKSFZXQISA-N 352.430 4.490 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)cc(OC)c1)CC2=O 587480277 ONDMNCLRJBLTJT-NRFANRHFSA-N 356.418 4.243 0 1 FIAF CCCc1c(O)ccc2c1O[C@](Cc1ccncn1)(c1ccccc1)CC2=O 587491102 SBRIENCSAURQDI-QHCPKHFHSA-N 374.440 4.238 0 1 FIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2c1OCCO2 587535204 JLZOJYTXARLVIA-GOSISDBHSA-N 366.413 4.052 0 1 FIAF O=C(c1ccc(Cl)c(Cl)c1)n1ncc2ccc(Cl)cc2c1=O 587650639 ATQVIHXYKZDSSG-UHFFFAOYSA-N 353.592 4.045 0 1 FIAF O=C(c1cc2c(s1)CCCCCC2)n1ncc2ccc(Cl)cc2c1=O 587653807 LMTLULKPFXUCDZ-UHFFFAOYSA-N 372.877 4.459 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Cl)c2)N1 587704881 KXMRSGIWSIFAGI-GLEZIHRCSA-N 355.638 4.260 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccsc32)N1 587859917 YYCJQMFOGXNHLS-JDNHERCYSA-N 352.272 4.374 0 1 FIAF CCCOc1cc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2cc1Br 587961038 DFFRTLVURVBSFE-GHMZBOCLSA-N 365.271 4.272 0 1 FIAF Nc1cccc(-c2cc(-c3c[nH]nc3N)ccc2OCc2ccccc2)c1 653872994 NBLKCIJDWKSOQS-UHFFFAOYSA-N 356.429 4.487 0 1 FIAF Cc1nc2c(o1)CCC[C@@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962711706 QBUMOKUCCINNSO-JLTOFOAXSA-N 358.482 4.066 0 1 FIAF CC(C)(C)C(=O)[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962958166 NJRVLGRWJGZFTH-OAHLLOKOSA-N 355.400 4.013 0 1 FIAF COc1ccc(NC(=O)C2(C)CCN(c3ncccc3C)CC2)cc1Cl 1857540696 RKQGVSUFXXSLGH-UHFFFAOYSA-N 373.884 4.297 0 1 FIAF COc1ccccc1NC(=O)c1ccnc2cc(Br)ccc12 1857630348 XNEGIDLVNLMKOM-UHFFFAOYSA-N 357.207 4.258 0 1 FIAF CC(C)Nc1ccc2cnn(-c3cncc(-c4cccc(C(=O)O)c4)n3)c2c1 1857756034 QUJOOKYBDWKSED-UHFFFAOYSA-N 373.416 4.001 0 1 FIAF CC(=O)O[C@H]1[C@H]2[C@H](C)c3ccoc3C[C@H]2[C@@]2(C)CCCC(C)(C)[C@H]2[C@H]1O 2356338348 UZCILNJWHPOAGV-OPMKCRRFSA-N 360.494 4.310 0 1 FIAF Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)CC(C)C)CC(=O)N2 2724118 HVUSIVFJGRVGIY-NRFANRHFSA-N 354.425 4.050 0 1 FIAF C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc2c(c1)ncn2C1CCCC1 2933267 ZKBWYYXXBZNTDS-IAGOWNOFSA-N 368.525 4.144 0 1 FIAF COc1ccc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl 13755786 YHPIWFZVGYDONZ-UHFFFAOYSA-N 373.861 4.330 0 1 FIAF CCC[C@@H]1CNC(=O)C12CCN(C1(c3ccccc3)CCCCC1)CC2 14210502 XNZWDRHJBZFXLY-HXUWFJFHSA-N 354.538 4.474 0 1 FIAF COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@H](C)[C@@H](C)C2=O 14726867 ZXAFNDDXODHVOJ-HTGLOVNISA-N 356.418 4.018 0 1 FIAF biogenic CCc1cccc(NC(=O)CCCn2c(=O)c3cccn3c3ccccc32)c1 20489739 GGCBAURWSRYTBI-UHFFFAOYSA-N 373.456 4.236 0 1 FIAF O=c1c2cc(Cl)ccc2ncn1CCCCCCCCn1ccnc1 26381219 YISJKBMVGWYLSG-UHFFFAOYSA-N 358.873 4.287 0 1 FIAF Oc1ccc[n+]2c1[C@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 27107521 CDYZVJGLXZQGLG-PZJWPPBQSA-O 356.401 4.290 0 1 FIAF Clc1ccc(C(c2ccc(Cl)cc2)(c2cn[nH]n2)n2ccnc2)cc1 27429790 XILCLJXDZMOZQW-UHFFFAOYSA-N 370.243 4.148 0 1 FIAF COc1ccc(CN2CCC(N[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1 40891876 JBHYWQAXVZKPSC-AAIMPIBUSA-N 356.554 4.464 0 1 FIAF O=C(N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccc(F)cc1 43122218 GBEZOOMNAQDDIS-OAQYLSRUSA-N 366.411 4.122 0 1 FIAF O=C1C[C@@H](c2nc(-c3cccc(Cl)c3)no2)CN1Cc1ccc(F)cc1 44440678 ZWBNOSOSWCVZAA-CQSZACIVSA-N 371.799 4.045 0 1 FIAF Sc1nc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)no1 73141041 BJMUVQOYGOKWBR-HNNXBMFYSA-N 356.838 4.367 0 1 FIAF COc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)n2)c(O)c1 73258694 VLMXYFHYHZYMLI-UHFFFAOYSA-N 362.216 4.414 0 1 FIAF CC[C@H](C)NC(=O)c1cnc(NC2CCCC2)nc1-c1cccc(C)c1 82146030 HDAVVVQIMJQPCO-HNNXBMFYSA-N 352.482 4.335 0 1 FIAF Fc1ccc(-c2cncc(CN3CCN(c4ccc(F)cc4)CC3)c2)cc1 84462308 INZGZBABHYINRR-UHFFFAOYSA-N 365.427 4.349 0 1 FIAF Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccc(F)cc5)c4)c3c2)cn1 96282975 MGARIFYNPCFMQT-UHFFFAOYSA-N 372.407 4.014 0 1 FIAF Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(=O)O 103068650 LLUUJFCLTHSCSX-GASCZTMLSA-N 368.433 4.207 0 1 FIAF Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccnc1 103249846 LKNHLKFTJPRDKI-UHFFFAOYSA-N 362.414 4.064 0 1 FIAF COc1ccc2[nH]c(-c3c(-c4ccc(F)cc4)nc4ncccn34)nc2c1 473149131 HQQKLRMBBJVLIJ-UHFFFAOYSA-N 359.364 4.087 0 1 FIAF C[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)n1cc(Cl)cn1 587079332 IYIISKFUUKVYQD-LURJTMIESA-N 360.042 4.438 0 1 FIAF CCOC(=O)[C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 587098300 QFYYJNOHOJFUTR-CQSZACIVSA-N 371.436 4.423 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(O)cc(O)nc1CC3 587105538 CSRAFDSKKSROSB-UHFFFAOYSA-N 366.376 4.018 0 1 FIAF FC(F)(F)c1nn(Cc2nc3ccc4ncccc4c3[nH]2)c2c1CCCC2 587119841 IENZQZHFXYLJFK-UHFFFAOYSA-N 371.366 4.254 0 1 FIAF Fc1ccc(-c2nc3cc(Br)ccc3[nH]2)nc1Br 587156207 ZJHHSIGRSVJBHA-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF Fc1ccc2[nH]cc(Cc3nc4c(F)cnc(Br)c4[nH]3)c2c1 587174275 FRRKIIHIKGHVMR-UHFFFAOYSA-N 363.165 4.071 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC1CCOCC1)(c1ccccc1)O2 587414464 VJDYKOWGZVIWCS-JOCHJYFZSA-N 351.446 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccc(F)cc4)n1)[C@@H](C2)C3=O 587427980 KRRSOVHFFBEOTL-AOMKIAJQSA-N 361.372 4.385 0 1 FIAF COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(C)=O 587522643 GMLLBUCHICJJNU-FQEVSTJZSA-N 366.413 4.206 0 1 FIAF CCOC(=O)c1[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587525783 NVCBOYRSRFPAFE-GOSISDBHSA-N 353.418 4.085 0 1 FIAF COc1ccc2c(c1)OCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587536467 UFMSUZVMNGKKDK-JOCHJYFZSA-N 350.414 4.217 0 1 FIAF COc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615597 YTZNOHSSDVMUFH-MAUKXSAKSA-N 354.383 4.165 0 1 FIAF CCCCn1ccnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587755320 OTMOGHVJWXTGGE-BZNIZROVSA-N 366.278 4.208 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3ccccc3[nH]2)N1 587804501 REJUQTWBGDTUAL-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF CC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587846463 HOCHPJBHLUCJEK-VPTHRUTESA-N 368.271 4.476 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)s2)N1 587850424 YWLSKMLGKGOKKE-ABKXIKBNSA-N 369.303 4.339 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sccc1C 587869933 VEFWWGYRJUAYQS-UHFFFAOYSA-N 367.352 4.031 0 1 FIAF OCCC[C@@H]1CCCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961613792 HUBJPVYTSCVHDV-KXBFYZLASA-N 364.327 4.285 0 1 FIAF COc1ccc2c3ccnc(C)c3n(S(=O)(=O)c3ccc(C)cc3)c2c1 1857574123 RPUMLKDTXFILMR-UHFFFAOYSA-N 366.442 4.052 0 1 FIAF COc1cccc(-c2nc(C)c(COc3ccc(CCC(=O)O)cc3)o2)c1 1857754810 VALUMKQQQXLNRL-UHFFFAOYSA-N 367.401 4.255 0 1 FIAF COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@]12Cc1cc(C)c(C)cc1C2=O 5539750 WFCIEHWRWGAYKK-PGRDOPGGSA-N 362.429 4.126 0 1 FIAF O=C(Nc1ccc(Sc2ccccc2)cc1)O[C@H]1CN2CCC1CC2 28521258 JVJNYAAQZSRQDR-IBGZPJMESA-N 354.475 4.481 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C(O)C(=O)[C@H](C#N)C[C@]4(C)[C@@H]3CC[C@]12C 31821053 MHUSDNCLXWFRLU-CQWRLACWSA-N 371.477 4.085 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2Cc1ccccc1 36093303 AOTHPBKOMYVVMW-MXEMCNAFSA-N 353.437 4.135 0 1 FIAF CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Nc1ccc(C)cc1 40425012 YFQJDBJPTPALHF-MJGOQNOKSA-N 371.531 4.476 0 1 FIAF C[C@H](Sc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1)C(=O)O 40505295 OTKYZBZFSBHIJZ-JTQLQIEISA-N 364.829 4.442 0 1 FIAF CCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82132453 OQMDDWJGYCPPNP-CALCHBBNSA-N 366.509 4.156 0 1 FIAF CC(=O)O[C@@H]1[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1O 96888301 UZCILNJWHPOAGV-AUULDNBDSA-N 360.494 4.310 0 1 FIAF Cc1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 106598902 GPXJJKTXXJZJHM-SSGKUCQKSA-N 365.432 4.392 0 1 FIAF biogenic FC(F)(F)COc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1 114880598 VBGPPFADVWRQPN-UHFFFAOYSA-N 361.245 4.356 0 1 FIAF CC[C@H](O)c1ccc(Cl)c(-c2nnc3c(C)nc4ccc(C)nc4n23)c1 145720375 TYUHWJNKYDXLGG-INIZCTEOSA-N 367.840 4.053 0 1 FIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCC4COC4)cc3)cc12 205302989 YGTQKVPGTICMSG-UHFFFAOYSA-N 357.793 4.212 0 1 FIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)C1 261129698 KWGIXLKUUUKGLB-LIRZLWQOSA-N 367.537 4.124 0 1 FIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Cl)cc3[nH]2)cs1 587014527 SFIYPUXIZJYZDX-UHFFFAOYSA-N 364.858 4.365 0 1 FIAF CCOC(=O)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120223 DEBARVRGKRXUCN-UHFFFAOYSA-N 374.322 4.302 0 1 FIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(F)c(F)c3[nH]2)c1 587202864 HXKPMGDHWCTMIO-UHFFFAOYSA-N 372.375 4.358 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(C1CCNCC1)O2 587379382 UKTHUFWUUFJDSK-OAQYLSRUSA-N 370.880 4.091 0 1 FIAF Cc1cc(OC(F)(F)F)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587380786 AMRCUJNHUBBVLQ-INIZCTEOSA-N 351.324 4.491 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OC(F)(F)F)c1F)O2 587382493 MDBJCMHTSNCAKS-KRWDZBQOSA-N 369.314 4.496 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)nc1Cl)O2 587383566 SQHNFLZCXLVEMA-GFCCVEGCSA-N 356.731 4.351 0 1 FIAF CCCOc1c(OCC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587397853 BKQWWBCYTSXQSY-IBGZPJMESA-N 355.434 4.471 0 1 FIAF COc1ccc2c(c1OC)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587526995 UGFVFQQRNGFSHG-QHCPKHFHSA-N 364.441 4.390 0 1 FIAF C[C@]1(Cc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573695 WTDCZPPGTQIVPW-DENIHFKCSA-N 364.372 4.494 0 1 FIAF Cc1ccc2c(c1)[C@@]1(C=CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606450 CQBPEEGJQAAABB-NFBKMPQASA-N 372.376 4.464 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)CC2 587946006 IAXRBFVTPSITFH-CQSZACIVSA-N 350.418 4.005 0 1 FIAF CC[C@@]1(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC(=O)c2ccccc2C1 587961140 PZKHMSRJFZJGHT-QHCPKHFHSA-N 373.456 4.216 0 1 FIAF CN(C)c1ccccc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962716814 WGLBXHDBQDEKKV-YCRPNKLZSA-N 356.510 4.345 0 1 FIAF Cn1c([C@H]2NCCc3cc(Cl)ccc32)nc2cc(C(F)(F)F)ccc21 963391484 UTYWTAICRKCWKI-INIZCTEOSA-N 365.786 4.481 0 1 FIAF Cc1nc(/C=C/CCCCCc2ccc([C@H]3CCN[C@@H]3CO)cc2)co1 1857537432 ZHYOTSIYLLAANK-ALUHFNSBSA-N 354.494 4.237 0 1 FIAF FC(F)(F)c1cccc(C[C@]2(COc3cccnc3)CCCNC2)c1 1857545560 XCLPQCOSKYRJOS-GOSISDBHSA-N 350.384 4.092 0 1 FIAF O=C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 26675198 OQXMVHSMHFPGKE-UHFFFAOYSA-N 361.844 4.036 0 1 FIAF CCCc1c(CSc2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 28000753 XYJIAOBZIHRGLX-UHFFFAOYSA-N 368.462 4.020 0 1 FIAF COc1ccccc1CCc1cn(Cc2ccccc2)c2nc(N)nc(C)c12 28701734 LGVLIOOAXOBQHJ-UHFFFAOYSA-N 372.472 4.164 0 1 FIAF S=C1SCN(Cc2ccco2)CN1c1ccc(Br)cc1 31905327 KOLDFVMDJNKWBQ-UHFFFAOYSA-N 369.309 4.297 0 1 FIAF COc1cccc(-n2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)C)c1 34322608 KMHZSWOKFAORBT-UHFFFAOYSA-N 350.466 4.306 0 1 FIAF C[C@H](c1ccccc1)c1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1 45285112 LMKPQMOEIJCWGT-CYBMUJFWSA-N 363.486 4.351 0 1 FIAF CCOC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1 71317413 KWDAJLCLDANXGD-UHFFFAOYSA-N 369.377 4.008 0 1 FIAF Cc1ccnc(C(=O)c2[nH]c3ccc(C(C)(C)C)cc3c2CC(=O)O)c1 82155105 PWSNKQDYXDTFKA-UHFFFAOYSA-N 350.418 4.027 0 1 FIAF O=C(c1cccc(C(F)(F)F)c1)c1ccc2nnc(-c3ccccc3)n2n1 95603150 NDRMPHDEJBISCP-UHFFFAOYSA-N 368.318 4.041 0 1 FIAF CCCn1c(Oc2ccc(F)c(F)c2)nc2nc(C3CCCC3)[nH]c2c1=O 117378130 UUGKUAPXWUSTOD-UHFFFAOYSA-N 374.391 4.258 0 1 FIAF CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 143407198 FABHFBAYMRVPMH-HNNXBMFYSA-N 359.514 4.143 0 1 FIAF COc1ccc2c(c1)cc(-c1cccnc1)n2Cc1cccc(C(=O)O)c1 169701315 PMJOTJQSINNTQG-UHFFFAOYSA-N 358.397 4.458 0 1 FIAF O=C(NCCCc1ccc(Cl)cc1Cl)[C@H]1CCOc2ncsc21 220879357 CTPPZMFBEQIHTJ-LBPRGKRZSA-N 371.289 4.065 0 1 FIAF COc1c2c(cc(O)c1CC=C(C)C)OCC(c1cc(O)cc(O)c1)=C2 238756103 FZKIFWZDWHZTMM-UHFFFAOYSA-N 354.402 4.254 0 1 FIAF Oc1c(Br)ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587016281 IUNKAHFZGUHEBP-SNVBAGLBSA-N 366.240 4.006 0 1 FIAF COc1cccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587016660 FGWBCAYWGDRWKN-UHFFFAOYSA-N 373.441 4.409 0 1 FIAF Cc1c(Br)cnc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc12 587084239 KEFMNMCKGSPNGZ-UHFFFAOYSA-N 363.646 4.157 0 1 FIAF Nc1c(F)c(F)cc(-c2nc3cc(F)cc(Br)c3[nH]2)c1F 587137054 QUJSBWUSNQUYOC-UHFFFAOYSA-N 360.108 4.131 0 1 FIAF Cc1ccc(-c2nc3ccc(I)cc3[nH]2)c(F)c1 587146405 KQWNPDTZPISINB-UHFFFAOYSA-N 352.150 4.282 0 1 FIAF COC[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349334 PMMFENMVFBFMSF-FPOVZHCZSA-N 358.409 4.322 0 1 FIAF COC(C)(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352793 XQJBYQTWDOLFFX-WIYYLYMNSA-N 358.409 4.464 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3nccs3)c1C)O2 587410957 AETRMQVGMAFVRH-QGZVFWFLSA-N 353.447 4.148 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)c(F)c1)[C@@H](C2)C3=O 587418208 BHWFFCOAVJDCEB-APPDUMDISA-N 352.283 4.342 0 1 FIAF CCCCOC(=O)[C@@H]1CCC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 587486736 ZTDWMCKEZDUEGC-HRAATJIYSA-N 360.450 4.192 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(N)sc3c1CCC3)CC2=O 587496078 RGMBLFMSZIQXLK-HXUWFJFHSA-N 357.475 4.358 0 1 FIAF COCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587596389 VLXGUZYKUDKPLJ-KNQAVFIVSA-N 362.381 4.242 0 1 FIAF O=C(O)Cc1c(-c2cc(Cl)ccc2Cl)[nH]c2c(C(=O)O)cccc12 587637822 FGBYRCQFKRZETL-UHFFFAOYSA-N 364.184 4.467 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(F)cc32)N1 587734894 SKAUQCKCGQLAOI-MLCYQJTMSA-N 364.233 4.451 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3n2C)N1 587760607 ZFCRTZXVLACHCQ-BTDLBPIBSA-N 374.257 4.099 0 1 FIAF Cc1ncsc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587855283 UIYVATVRECOAGU-ANRSDYALSA-N 355.276 4.151 0 1 FIAF COc1ccc([C@@H](O)[C@H](C)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587938676 YNZDCXYTKXTCEO-RTHLEPHNSA-N 352.221 4.110 0 1 FIAF CCOc1cc(-n2c(O)ccc2OC(C)(C)C)c(Cl)cc1C(=O)O 587939480 ALNVNONRNRABMP-UHFFFAOYSA-N 353.802 4.111 0 1 FIAF CO[C@@H](C)COC1CCC(c2nc3c(Cl)c(Cl)cnc3[nH]2)CC1 587951642 HZYQVLODBAHLIC-WHXUTIOJSA-N 358.269 4.342 0 1 FIAF COc1ccc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(Cl)c1 962731897 UUQCCTGRTNLTCV-HOTGVXAUSA-N 369.770 4.084 0 1 FIAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccccc4F)C[C@@H]3F)[nH]c2cc1C 2356300384 UYWHQOKGJZEVPP-FXAWDEMLSA-N 371.431 4.058 0 1 FIAF CCC/C=C1/CCCO[C@](C(=O)NCc2ccc(C)o2)(C(F)(F)F)C1 13828977 BFKXYBBVLKKTMX-JJKQHFEOSA-N 359.388 4.432 0 3 FIAF C[C@](O)(c1ccncc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61908562 WJCAAFAIGNIPRL-INIZCTEOSA-N 350.365 4.480 0 3 FIAF CCCNC(=O)[C@]1(C)CCCN(Cc2ccccc2-c2ccccc2)C1 61926345 HVHQVUDECGUALK-HSZRJFAPSA-N 350.506 4.482 0 3 FIAF Cc1cc(C(=O)NC2CCCCC2)c2c(C)nn(-c3cccc(F)c3)c2n1 7003637 HMNUKPXRVDDGNW-UHFFFAOYSA-N 366.440 4.239 0 1 FIAF CCCOC(=O)C[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21 13610487 CWVLCZSITLHUIT-ZLOUPJAZSA-N 372.505 4.179 0 1 FIAF COc1ccc(OC(=O)[C@@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@H]2N3C)cc1 27304862 IUPUVKOJONOTAC-ZHNGQKSSSA-N 365.473 4.176 0 1 FIAF CC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2 28119099 UKEQYEOJOXOZPK-OAQYLSRUSA-N 351.490 4.472 0 1 FIAF CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@@]2(C)C2=C1C(=O)C(C(C)C)=C(O)C2=O 28536668 XDBVTCDGDQLEKG-ALLJEULLSA-N 374.477 4.071 0 1 FIAF biogenic CC1(C)CC[C@@H](N2CCC(O)(c3ccccc3CN)CC2)c2ccccc21 28817234 OUQSULQDOMUFKO-JOCHJYFZSA-N 364.533 4.241 0 1 FIAF CC[C@@H](COc1cccc(Cl)c1)OC(=O)N(C=O)Cc1ccccc1 34649952 MKXVWSRVZYPTMV-KRWDZBQOSA-N 361.825 4.293 0 1 FIAF O=C(Nc1cccnc1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 35878112 QOPCBLGHQJLHQW-UHFFFAOYSA-N 373.387 4.045 0 1 FIAF O=C(c1ccncc1)N1N=C(c2ccccn2)C[C@@H]1c1ccc(Cl)cc1 38260964 YAGXLYSVFGSADG-LJQANCHMSA-N 362.820 4.122 0 1 FIAF C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncs2)c1 40900652 GSWJYMOWSZNVFF-JTQLQIEISA-N 359.842 4.012 0 1 FIAF CCc1c(C)sc2c1C(N1CCN(C)CC1)=Nc1cc(F)ccc1N2 61966139 QQJTZECBHRXBIB-UHFFFAOYSA-N 358.486 4.141 0 1 FIAF CCOc1ccc(-c2nc(CNCc3c(OC)cccc3OC)co2)cc1 72102071 UXGRSBCZWLVDLK-UHFFFAOYSA-N 368.433 4.047 0 1 FIAF Oc1ccc(-c2nc(CNCc3ccccc3OC(F)(F)F)co2)cc1 72182550 VFCNRUSWAUCAHU-UHFFFAOYSA-N 364.323 4.236 0 1 FIAF CCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82132458 OQMDDWJGYCPPNP-IAGOWNOFSA-N 366.509 4.156 0 1 FIAF O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 143298970 BBMXHMMGPRLFBR-DQEYMECFSA-N 372.512 4.279 0 1 FIAF Cc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 169700147 INDJTDRRAPMRRR-WBVHZDCISA-N 360.392 4.383 0 1 FIAF Cc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Cl 587085023 MNYMQGPYYVDJBQ-UHFFFAOYSA-N 362.264 4.352 0 1 FIAF COC(=O)[C@H]1CCCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587098354 QNGUMIUEUINZOP-AWEZNQCLSA-N 371.436 4.423 0 1 FIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(F)cnc(Cl)c2[nH]1 587109369 NPELIVDTUPCEQG-UHFFFAOYSA-N 359.666 4.134 0 1 FIAF FC(F)(F)Oc1ccc2c(-c3nc4cnc(Cl)cc4[nH]3)n[nH]c2c1 587127076 LMYRUQQIGWMSNJ-UHFFFAOYSA-N 353.691 4.053 0 1 FIAF Cc1c(Br)ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 587154751 GKVLRDDWJCERAY-DIFFPNOSSA-N 360.230 4.114 0 1 FIAF Cc1ccc([C@]2(CCCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587406018 CPRYKNCTJYQUDG-QFIPXVFZSA-N 367.445 4.391 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1c(F)cc(Cl)cc1F)[C@@H](C2)C3=O 587424816 VNCZGPJBOBUDRK-VOJFVSQTSA-N 350.748 4.290 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c3c(c1)OCO3)CC2=O 587463708 XGUPQVRCEUUNJR-MRXNPFEDSA-N 360.793 4.433 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1c[nH]c(C(=O)O)c1)CC2=O 587483519 MQIHMPXBTQDYRU-HXUWFJFHSA-N 357.406 4.032 0 1 FIAF CNc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581331 VXRSPKYDKDMFEM-SIKLNZKXSA-N 361.397 4.311 0 1 FIAF Cc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587607448 IOJAJMCRKRLZLK-SIKLNZKXSA-N 362.381 4.418 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(cnn3C)c2)N1 587760753 QJSVNGRAZAWXLM-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF Cc1cc2c([nH]1)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587801068 CZUPOISMOGKJPT-BBATYDOGSA-N 363.274 4.339 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3ccccc3[nH]2)N1 587801215 DSGABCPIZHPXNA-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF Cc1[nH]c2ncccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587803465 PZVVZYABODSTGS-XYZCENFISA-N 374.257 4.397 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1CC[C@H]1CCCN1C 587863327 GJDVIALNKXFWEJ-CYBMUJFWSA-N 353.388 4.062 0 1 FIAF COc1ccc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(Cl)c1 962731895 UUQCCTGRTNLTCV-CVEARBPZSA-N 369.770 4.084 0 1 FIAF CC=C1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC(C)C)cc12 1857571616 PDIDBWPLIVLWEA-WQTXXOFMSA-N 352.478 4.096 0 1 FIAF CCc1noc(C)c1[C@@H]1C[C@@](C)(c2ccc(F)cc2F)NC(=N)S1 1857618629 JTOVNNJAPHFIQX-YOEHRIQHSA-N 351.422 4.441 0 1 FIAF CC(C)(C)c1ccc(OCCCCN2CCN(c3ccccn3)CC2)cc1 1857750005 KJZHQFMVSHLREZ-UHFFFAOYSA-N 367.537 4.360 0 1 FIAF COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2O)c1 1857750144 UWXWRYKFTGDLAH-UHFFFAOYSA-N 351.358 4.151 0 1 FIAF Cc1ccc(OC[C@@H](O)CNCC2(c3cccs3)CCCCC2)cc1 1857754641 SEFVHHODDSJFEM-SFHVURJKSA-N 359.535 4.288 0 1 FIAF CC[C@H](C)C=CC=C(C)C[C@H](C)C=CC=C[C@H](O)[C@@]1(C)CC(=O)C(=O)O1 2356865428 WKSOWWZVDAHHAD-KAULMNLWSA-N 360.494 4.309 0 1 FIAF CCN(CC)C(=O)c1cccc(-c2csc([C@@H](O)c3ccccc3)n2)c1 61906633 ODMDTDZFQFXBAE-IBGZPJMESA-N 366.486 4.374 0 3 FIAF CN[C@H](c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc12 589926 GNRSVTHQXVXCIC-OAQYLSRUSA-N 362.473 4.149 0 1 FIAF CN(CC1CC1)[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C(F)(F)F)cc1 27562408 KUVXOCFMCXAUHS-ROUUACIJSA-N 368.443 4.430 0 1 FIAF O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)C1CCOCC1 28572100 CBHOUOHFUVTLFG-UHFFFAOYSA-N 374.444 4.252 0 1 FIAF COc1c(-c2ccncc2)ccc2nc([C@H]3COc4ccccc4C3)[nH]c12 49048018 DKBAPYGVRCEGCL-MRXNPFEDSA-N 357.413 4.352 0 1 FIAF Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2cccnc21 71330160 RDQYWMWFIIIGHP-UHFFFAOYSA-N 374.410 4.367 0 1 FIAF Brc1ccccc1-c1nc(CNCCOc2ccccc2)co1 72182564 YPOUTIFDHZQCMZ-UHFFFAOYSA-N 373.250 4.273 0 1 FIAF CCCCCOc1ccc(-c2nc(CNCC[C@@H]3CCCN3C)co2)cc1 72184425 OEPDGRWKXRRKBR-FQEVSTJZSA-N 371.525 4.485 0 1 FIAF Cc1c(C(=O)OCc2ccccc2)oc2cccc(OC3CCNCC3)c12 95557425 JEBFVIXVDRXPMH-UHFFFAOYSA-N 365.429 4.229 0 1 FIAF CCCCCC[S@](=O)C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101364300 DXUUKSQGPDLBMH-PONIALJFSA-N 370.555 4.310 0 1 FIAF O=C(Nc1cccc(C(=O)O)c1)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1 103236464 MNUZWCBQSLHITB-RHNCMZPLSA-N 372.396 4.036 0 1 FIAF Cc1cccc(C#CC=C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 141269313 PGBLXONVLMXXEL-UHFFFAOYSA-N 350.849 4.258 0 1 FIAF C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]23O4 195239809 CEQYMIBPHSHBNB-QPNVYYLDSA-N 356.462 4.076 0 1 FIAF CCCNc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1Cl 299869168 UCERFRZAOMYGOE-UHFFFAOYSA-N 363.933 4.252 0 1 FIAF CC(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586900865 NTNDJBYOTHGDRF-UHFFFAOYSA-N 360.369 4.417 0 1 FIAF N[C@H](Cc1cscn1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587028900 BAXKMQPOJSMCAG-OAHLLOKOSA-N 352.488 4.413 0 1 FIAF Oc1nc2cc3nc([C@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3cc2[nH]1 587076538 NDQVZJMUJQLDPY-QGZVFWFLSA-N 367.840 4.135 0 1 FIAF COC(=O)C[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107146 OZILBGCIJGAJOM-ZDUSSCGKSA-N 357.409 4.429 0 1 FIAF COc1cc(OC)c2[nH]c(-c3ccc(Br)cc3F)nc2c1 587142514 DAFBSLGZQAQIGP-UHFFFAOYSA-N 351.175 4.149 0 1 FIAF Cc1c(F)ccc2nc(-c3cc(I)ccc3F)[nH]c12 587182975 SCJMSHLDGAPRMP-UHFFFAOYSA-N 370.140 4.421 0 1 FIAF CCOC(=O)C[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587377117 GZXVSCSENSERQN-HXUWFJFHSA-N 373.836 4.045 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cc3ccccc3o1)O2 587386802 KXFZDOZBLPJTRS-HYGBKTPJSA-N 362.429 4.259 0 1 FIAF COc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399207 JRBBKSGUHGLXNT-QHCPKHFHSA-N 359.425 4.495 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3ccc(Cl)cn13)CC2=O 587458753 BGDJFIRGOBYDPQ-QGZVFWFLSA-N 356.809 4.352 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c(C(=O)OCC)c1C)CC2=O 587483314 LWMIWENJWKUDEW-QGZVFWFLSA-N 371.433 4.173 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CSC(C)=O)(c1ccccc1)CC2=O 587491582 LTLIQXYLKLKYDL-OAQYLSRUSA-N 370.470 4.485 0 1 FIAF C[C@]1(c2cnc3ccc(Cl)nn23)CC(=O)c2ccc3c(c2O1)CCCC3 587498428 IHJWAAUFHKVYHC-HXUWFJFHSA-N 367.836 4.142 0 1 FIAF O=C1C[C@H]([C@H]2CCN(Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587512825 FWAWGUACDGZKQG-WMZHIEFXSA-N 361.485 4.421 0 1 FIAF COC(=O)c1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)o1 587531973 JCZLHMPGQMRQGB-NRFANRHFSA-N 354.402 4.134 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncccc1Cl 587549254 RKCDOQRFDWXUHY-DNVCBOLYSA-N 353.761 4.144 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2Cl)N1 587698974 QYDLTEVZLLXXJD-RMLUDKJBSA-N 355.638 4.260 0 1 FIAF COc1ccc(F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587735586 XYOLFGFFDUOHGJ-XYZCENFISA-N 368.221 4.360 0 1 FIAF CCCC(=O)O[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790140 FSJLQIKSVZKQRB-RVPKQNPDSA-N 372.278 4.069 0 1 FIAF CC(C)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)no1 587796785 QDROFTMTMSKSMT-ABKXIKBNSA-N 353.235 4.323 0 1 FIAF COCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587801517 LHASZCTYYPUTNX-ADLMAVQZSA-N 364.258 4.358 0 1 FIAF CO[C@H](c1cncs1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587856221 WWECDHSJUANVSK-PVJOKMEKSA-N 371.275 4.008 0 1 FIAF COc1cccc(-c2cc(O)cc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2)c1 587932560 GFZFZPWEHLSWOJ-HXUWFJFHSA-N 374.400 4.335 0 1 FIAF CCCc1cccc2c(-c3cnc(-c4ccc(CO)nc4)s3)n[nH]c12 653799992 WIYTUDAIOOEAQZ-UHFFFAOYSA-N 350.447 4.193 0 1 FIAF O=c1c(Br)c[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 957623012 CDFUZSMUZALYMG-UHFFFAOYSA-N 360.051 4.328 0 1 FIAF Cc1sc2c(c1C)CCN[C@]2(CCC(=O)O)c1cc(F)c(F)c(F)c1 963028950 QVTUGXAMZXAJTF-GOSISDBHSA-N 369.408 4.036 0 1 FIAF CCOC(=O)c1cccc(C[C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)c1 963102909 GKDBSBZPIGAQKO-CVDCTZTESA-N 367.464 4.481 0 1 FIAF COc1ccc2c(c1C=O)CCCC=C2c1cc(OC)c(OC)c(OC)c1 1857606202 QXOUSONRSPXOHF-UHFFFAOYSA-N 368.429 4.302 0 1 FIAF CC(=O)c1cc2c(N)c(C(=O)Nc3cccc(Cl)c3)sc2nc1C 2382216108 CXYHMADQDUGKJO-UHFFFAOYSA-N 359.838 4.295 0 1 FIAF O=C(NCc1ccccc1)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 1368645 ARAJATJJJRLDAZ-FGZHOGPDSA-N 363.505 4.072 0 1 FIAF Cc1c(C(=O)N2CCC(C)CC2)sc2ncnc(N3CCCC[C@H]3C)c12 2924276 VWQLVSYZINLUOP-CQSZACIVSA-N 372.538 4.251 0 1 FIAF Oc1cc(Cl)ccc1NC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579709 VFGNUALDWSFGBL-INIZCTEOSA-N 367.276 4.012 0 1 FIAF C[C@@H]1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccccc2F)CC1 13860155 PXRYUTZDJMDKAL-QGZVFWFLSA-N 366.480 4.406 0 1 FIAF COc1cc(OC)c2c(c1Cc1ccc(O)cc1)CCc1cc(O)ccc1-2 14444098 GNRQSQCPDZCLSO-UHFFFAOYSA-N 362.425 4.471 0 1 FIAF biogenic C[C@H](CO)Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)C(C)(C)C 26006165 YDJUXRPEULXZFF-HNNXBMFYSA-N 354.446 4.040 0 1 FIAF CN1c2cc3c(cc2[C@@]2(C)CCCC[C@@H]12)c(C(F)(F)F)cc(=O)n3C 27854526 SVYMWVFRYNHWFN-SJLPKXTDSA-N 350.384 4.207 0 1 FIAF C1=C(c2ccc(CCN3CCC3)cc2)[C@H]2CN(Cc3ccccc3)C[C@H]2C1 29128259 IZMCDSYPUGPXLN-NOZRDPDXSA-N 358.529 4.470 0 1 FIAF Nn1c(SC2CCCCC2)nc2sc(-c3ccccc3)cc2c1=O 40392602 ZEICNQMPRKGZJX-UHFFFAOYSA-N 357.504 4.264 0 1 FIAF O=C(/N=c1\sccn1Cc1ccc(Cl)nc1)c1ccc(Cl)cc1 40431034 IOGAPKWEKZLLIP-SILNSSARSA-N 364.257 4.041 0 1 FIAF O=C(CN1CCCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 40899396 UVYYFQGRPBHSAA-UHFFFAOYSA-N 359.539 4.035 0 1 FIAF COC(=O)c1c(N)oc2c(C)c(C)c(O)c(Sc3cccc(F)c3)c12 64539329 SKOLOSGLRPYRKX-UHFFFAOYSA-N 361.394 4.414 0 1 FIAF COc1ccc(/C=C/c2c(/C=C/[N+](=O)[O-])cc(OC)c(OC)c2OC)cc1 72123006 PAAQGOFRCKUKKX-OFJXCKHESA-N 371.389 4.139 0 1 FIAF C=CC1=C(C(=O)Nc2ccc(OCC)cc2)[C@@H](c2ccc(F)cc2)OC1 73223800 AOQBCUDOTMVZMJ-HXUWFJFHSA-N 353.393 4.417 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1ccccc1C(F)(F)F 100025609 HGABDBVYERTULD-NWCRWOLESA-N 369.339 4.127 0 1 FIAF CCCn1c(Nc2ccc(F)cc2)nc2nc(C3CCCC3)[nH]c2c1=O 166760271 UOZZRUQZHWNQEW-UHFFFAOYSA-N 355.417 4.070 0 1 FIAF CCCN(C=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 169713939 XHPVQFBYVYPXDZ-YKMMNSNLSA-N 374.569 4.087 0 1 FIAF C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2c1 207559947 SGUZXWKWTMWMCR-LBPRGKRZSA-N 359.437 4.475 0 1 FIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)[C@H]5COC[C@]43C5)[C@H]1CC[C@@H]2OC1CC1 253896622 NXHVROPEBMRJEZ-FDQZTKHMSA-N 358.522 4.094 0 1 FIAF COc1cc(O)cc(/C=C/c2ccc(OC(=O)c3ccccc3O)cc2)c1 473087921 GPCAXLVIPFQRKM-VOTSOKGWSA-N 362.381 4.496 0 1 FIAF Cc1cc(Br)cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c12 586882105 KDVCEAHBXUCUET-SREVYHEPSA-N 357.207 4.399 0 1 FIAF CS(=O)(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894681 QPDFXFNZLOWXKN-UHFFFAOYSA-N 366.527 4.012 0 1 FIAF CSc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587006700 AMEVGLQHZXQGII-UHFFFAOYSA-N 359.252 4.362 0 1 FIAF COc1cncc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc12 587074931 BAJOHUSARSTKIY-UHFFFAOYSA-N 370.796 4.162 0 1 FIAF Cc1c(F)cc(-c2nc3cccc(I)c3[nH]2)cc1F 587132374 DBVSRHFXMDNIHP-UHFFFAOYSA-N 370.140 4.421 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(C)c(Cl)c1)O2 587374849 KAUGKYYVTDEHCA-HXUWFJFHSA-N 372.852 4.292 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(OC(F)(F)F)cc1)O2 587381242 DLQRCXICTGLZEI-GOSISDBHSA-N 365.351 4.442 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc(F)c1Br)O2 587383277 ZURCQPKASIQNNL-CYBMUJFWSA-N 368.177 4.324 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)nc1C)O2 587383930 XQEPTSXZRMRBAK-KRWDZBQOSA-N 350.340 4.180 0 1 FIAF CCOc1cc(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O 587401239 UOQCDOPVSXTALS-OAQYLSRUSA-N 355.434 4.038 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(OCC(F)(F)F)c1)[C@@H](C2)C3=O 587421090 NLSLRPRVOZURDV-KBXCAEBGSA-N 364.319 4.125 0 1 FIAF C[C@]1(CC(=O)Nc2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502922 IWLWHITUICDPHR-JOCHJYFZSA-N 367.420 4.457 0 1 FIAF C/C(=C\[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587513615 SPWLQCKULZVHOY-INJZMFEXSA-N 362.473 4.287 0 1 FIAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1-n1cccn1 587517338 LEOCHECKKQQMCM-FQEVSTJZSA-N 359.429 4.161 0 1 FIAF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C)c1C 587748953 CCGILKKNOJXYMX-LZVRBXCZSA-N 365.290 4.476 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc[nH]c3n2)N1 587801246 FETSSCXSXHYWQY-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF CC(=O)C[C@@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814962 JIXHLFDLGVICBZ-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF Cc1ccnc2c1CCN[C@@H]2[C@H]1CCCCC=C[C@H]1NC(=O)OC(C)(C)C 963078497 XSRVJQDJKUKWCX-NLWGTHIKSA-N 371.525 4.217 0 1 FIAF CCCCNC[C@]1(c2ccc(O)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963101886 MJSAQVYQXMISGE-CVDCTZTESA-N 368.496 4.185 0 1 FIAF COc1ccc2c3c(ccc2c1)O[C@@H](c1cc(F)c(F)cc1F)[C@H](N)C3 1772603387 KGBMSMHIQJKLGU-QUCCMNQESA-N 359.347 4.269 0 1 FIAF C[C@@H](COc1ccccc1)COc1ccn(-c2ccc(F)cc2)c(=O)c1 1857547257 AWLSYGBVBZUGBY-INIZCTEOSA-N 353.393 4.071 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2CC=C(C)C3=CC[C@@H]4[C@@H]3[C@H]2[C@@H]1C[C@H]4OC(C)=O 2356474611 YNTWKKJWHMCMFN-FCTAYNTBSA-N 358.478 4.054 0 1 FIAF COc1cc(N)c2nc(OCc3ccc(Br)cc3)ccc2c1 640554 PFWWMHMWUSTXPD-UHFFFAOYSA-N 359.223 4.167 0 1 FIAF CCN(CC)c1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1 53213976 OATOPHNFEWGPQM-UHFFFAOYSA-N 353.418 4.323 0 1 FIAF COc1ccccc1[C@@H]1CC(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C1 27085772 FHXQCOLQAWTJAQ-NSHDSACASA-N 353.805 4.103 0 1 FIAF O=C(Nc1ccccc1)c1ccccc1NC(=S)c1ccc(O)cc1O 103194529 ZRUCNYNJCWYIKJ-UHFFFAOYSA-N 364.426 4.138 0 1 FIAF Cc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)O)cc4c3c2)c(F)c1 113205289 DLYZOHLNFVNOBJ-UHFFFAOYSA-N 362.360 4.233 0 1 FIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC)[C@H]2c1cccs1 100704716 PEJUFXBTQZXJLD-MKVLZVNKSA-N 363.464 4.010 0 1 FIAF aggregator O[C@](Cn1ccnc1)(c1ccc(F)cc1)c1ccccc1-c1ccncc1 26841731 GZAPVKSQRTZSJU-JOCHJYFZSA-N 359.404 4.020 0 1 FIAF COC(=O)c1ccc(-c2ccc3c(c2)Nc2ccccc2NC3=O)cc1OC 28710731 HQXUKDZCWIDHEC-UHFFFAOYSA-N 374.396 4.458 0 1 FIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C(=O)c5oncc5C[C@]4(C)[C@@H]3CC[C@]12C 31821011 SKAUQTZOMFSDQC-LRJKFMBXSA-N 371.477 4.204 0 1 FIAF COc1cccc([C@H](C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1 73370741 TVEREFRWBLRPPJ-AWEZNQCLSA-N 350.393 4.387 0 1 FIAF CSC[C@H]1[C@H]2CC[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]3C2)[C@@H]1O 40567998 JPRWRUXEJUBWJD-YOFIRYATSA-N 366.567 4.434 0 1 FIAF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COCc1ccccc1 49112632 KQTYBPIMGOZTAQ-HSZRJFAPSA-N 363.501 4.328 0 1 FIAF CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Oc1ccccc1 40834066 DGNYMRHOGUSKCQ-WMZOPIPTSA-N 358.488 4.134 0 1 FIAF Fc1ccccc1CSc1nnc(-c2cnccn2)n1-c1ccccc1 95572604 WGMDMBCIWNSPSW-UHFFFAOYSA-N 363.421 4.156 0 1 FIAF CCOC(=O)[C@H](C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)OC(C)(C)C 95557340 VLLHCVWYRFYJLE-FZKQIMNGSA-N 372.465 4.201 0 1 FIAF CCC[C@@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23 95555736 VOURBOMNGNGZBD-MRXNPFEDSA-N 368.477 4.188 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)nc2)N1 587704898 KZWHXVVBAWSIBK-ANRSDYALSA-N 355.638 4.260 0 1 FIAF C[C@@]1(c2ccnc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331843 CAYPVQNDVRTFPV-CTNGQTDRSA-N 367.351 4.340 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1CC(=O)OCC)CC2=O 587485456 WPADOSKCPIJLBO-QKKBWIMNSA-N 360.450 4.192 0 1 FIAF COc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)cc1 587638773 PRAQJOPVLSLDNV-UHFFFAOYSA-N 363.291 4.125 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(CN=O)=COc2ccccc21 587470020 RRGKXDASFLZCGJ-OAQYLSRUSA-N 365.385 4.248 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nccnc3c2)N1 587778947 PATFYFAPNYCWQK-XTZNXHDOSA-N 372.241 4.155 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(F)c1O 587554366 DDDCPZSWLZLRIV-JXFKEZNVSA-N 370.307 4.079 0 1 FIAF COc1ccc(-c2ccc(-c3nc4cncc(C)c4[nH]3)c(O)c2)cc1OC 587927514 PXQASVVYDOKDSN-UHFFFAOYSA-N 361.401 4.323 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1nc(C)no1)CC2=O 587486908 UUCJGRVWWFRAGK-IBGZPJMESA-N 364.401 4.410 0 1 FIAF Cc1[nH]c2ccc(F)c(Cl)c2c1CCCN1C(=O)c2ccccc2C1=O 587632171 REZBFHAQICSFDF-UHFFFAOYSA-N 370.811 4.498 0 1 FIAF CC(C)(Oc1ccc2c(c1)CCc1c-2nc2cccc3c2c1CC3)C(=O)O 587213310 YZPNRLMMICDEAG-UHFFFAOYSA-N 359.425 4.341 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4cccs4)s1)[C@@H](C2)C3=O 587452944 OIQZFLXIJYANFS-GTNSWQLSSA-N 355.440 4.369 0 1 FIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3c(F)cnc(Br)c3[nH]2)cc1 586893055 UJCSCMKJJIFUCH-LKFCYVNXSA-N 364.218 4.005 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(Cc4cccnc4)c1C)[C@@H](C2)C3=O 587432284 VUHTXEDQLNEGEN-WMZHIEFXSA-N 374.440 4.046 0 1 FIAF CCOc1cc(-n2c(OCC)ccc2OCC)c(Cl)cc1C(=O)O 587940405 JBPAZCGCTYGKDR-UHFFFAOYSA-N 353.802 4.025 0 1 FIAF O=C1C[C@H](c2cncc3c(Cl)n[nH]c23)Oc2c1ccc1c2CCCC1 587497929 HNPRPOYZFGGOBH-MRXNPFEDSA-N 353.809 4.197 0 1 FIAF CCc1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(S)n1 587531787 JTBNCHWWKUSUPO-NRFANRHFSA-N 368.502 4.396 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1nc3ccc(Cl)cc3[nH]1)N(C)[C@H](C)C2 962568690 LFNNUNAPLJMVPP-WYRIXSBYSA-N 371.868 4.199 0 1 FIAF CN1C(=O)C[C@H]2CN[C@](c3ccc(F)cc3F)(C(C)(C)C)c3cccc1c32 963039709 ZRCSRVNANGCNAO-XMHCIUCPSA-N 370.443 4.308 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4Nc5oncc5C[C@]4(C)[C@@H]3CC[C@]12C 5941314 HPKLKMDASAMZLY-DLSMWHAWSA-N 358.482 4.186 0 1 FIAF COc1cccc([C@@H]2CCCN2Cn2c(=O)oc3cc(Cl)ccc32)c1 169341759 NABQYFMDXCPYDT-INIZCTEOSA-N 358.825 4.051 0 1 FIAF O=Nc1c([C@@H]2C(=O)Nc3c(Br)cccc32)[nH]c2ccccc12 169720184 GMRAFJUVKHMGPN-GFCCVEGCSA-N 356.179 4.412 0 1 FIAF Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2Cl)c(C)c1 2501376 BUMWGYJTKASUJH-KRWDZBQOSA-N 367.923 4.393 0 1 FIAF O=C1Nc2ccc(NC(=O)c3ccccc3)cc2/C1=C/c1ccc(O)cc1 1857554983 FGLCCFCTLCHUMF-UNOMPAQXSA-N 356.381 4.137 0 1 FIAF Cc1c(S(=O)(=O)c2ccc(C(F)(F)F)cc2)n(C)c2ccccc12 1857560697 NGHNWZXNIUINNG-UHFFFAOYSA-N 353.365 4.338 0 1 FIAF Fc1cc(-c2nn[nH]n2)c(F)cc1COc1ccc(Cl)c(Cl)c1 1857638337 QPQNXAVMKLPCAH-UHFFFAOYSA-N 357.147 4.031 0 1 FIAF COc1ccc(O[C@@H](c2ccc(F)cc2)C2CCN(C(C)=O)CC2)cc1 13531015 FOLPBZAUAVVGMF-NRFANRHFSA-N 357.425 4.213 0 1 FIAF COc1cc2c(cc1O)[C@]1(CC=C(C)C)COc3cc(O)ccc3[C@H]1O2 14819581 WLDDYRDGRVNYEY-RTWAWAEBSA-N 354.402 4.227 0 1 FIAF biogenic Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CCCC2)s1 14952130 KTHXIDDGDISIBQ-UHFFFAOYSA-N 363.870 4.486 0 1 FIAF C[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(N2C[C@@H](C)O[C@H](C)C2)c1 26733581 HEGKZKAFNJXIBL-UFKOVKOWSA-N 364.489 4.191 0 1 FIAF Cc1ccc(N2CCc3ncnc(NCc4ccccc4Cl)c3C2)nc1 35077826 WFTRPAANKZLHNU-UHFFFAOYSA-N 365.868 4.008 0 1 FIAF CCc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nc(C)n1-c1ccccc1 38214866 RTHQTFRZYVZUTI-UHFFFAOYSA-N 363.505 4.442 0 1 FIAF C[C@@H](CN(C)C)Oc1ccc2oc3ccc(O[C@@H](C)CN(C)C)cc3c2c1 39208132 AZTHSPGRZOVNLT-HOTGVXAUSA-N 370.493 4.244 0 1 FIAF COc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1O)CC2 40873536 NKWZCXSFJQEDSE-IBGZPJMESA-N 356.418 4.387 0 1 FIAF biogenic CCc1cnc(-c2cnc(NCCCOC)nc2-c2ccccc2F)s1 82175119 UFNKUBXQYQCNDZ-UHFFFAOYSA-N 372.469 4.417 0 1 FIAF Cc1c(C(=O)Oc2ccccc2)oc2cccc(OC3CCNCC3)c12 95555230 DAYWXJHMSOCOPN-UHFFFAOYSA-N 351.402 4.091 0 1 FIAF OC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCCC1 96175039 OPADXBDNUVWCRH-UHFFFAOYSA-N 374.444 4.019 0 1 FIAF O=C1C[C@@H](C2c3ccccc3-c3ccccc32)C(=O)N1Cc1ccccc1 98067397 GQFOVHGSNFFZOX-NRFANRHFSA-N 353.421 4.374 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1cccc(Cl)c1Cl 100025595 YZWBJFIMAYFEDV-QXPQOBGOSA-N 370.232 4.415 0 1 FIAF Nc1ccc(-c2cnc3snc(NC(=O)C4CCCCC4)c3c2)cc1 299822032 NHJDUPAEUPZRBK-UHFFFAOYSA-N 352.463 4.459 0 1 FIAF Cc1ccc2c(ccc3nc([C@H](O)c4ccc(Br)cc4)[nH]c32)n1 586996807 KXUQZJYJLBQXRE-QGZVFWFLSA-N 368.234 4.264 0 1 FIAF COc1ccc2nc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)sc2c1 587035099 LIDGSHANEALEGR-UHFFFAOYSA-N 350.325 4.262 0 1 FIAF Cc1noc([C@@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)n1 587106006 JQEVAQXHUZLQSR-CYBMUJFWSA-N 367.408 4.410 0 1 FIAF O=C(O)c1ccc(-c2cc(-c3nc4cnccc4[nH]3)ccc2F)cc1F 587138443 IZLORMLLQKBHNQ-UHFFFAOYSA-N 351.312 4.268 0 1 FIAF Cc1c(Br)ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c12 587167568 VUSJEVXNTPOEKK-HJWRWDBZSA-N 374.213 4.425 0 1 FIAF O=S(=O)(c1ccccc1)n1ccc(-c2cc3c4c(cccc4n2)CC3)c1 587217593 XXZBNNINIZHEOK-UHFFFAOYSA-N 360.438 4.039 0 1 FIAF CC[C@@H]1CCC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349780 CRSBSADWRUZXMU-DYHNYNMBSA-N 354.377 4.018 0 1 FIAF COc1cc(OC)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587376223 QPWQUKIXZBROJG-LJQANCHMSA-N 361.825 4.128 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(Cc1cccc(Br)c1)[C@@H](C2)C3=O 587417070 ICSRJRLHYFQUJJ-HNAYVOBHSA-N 373.246 4.207 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(N)c(Cl)c1)[C@@H](C2)C3=O 587424440 ZXZDWEJJWPPLEA-VOJFVSQTSA-N 364.228 4.247 0 1 FIAF C=C1C=C(C)n2ncc([C@@H]3CC(=O)c4ccc(O)c(CCC)c4O3)c2N1 587480745 FFVLOBMRVYCLSU-SFHVURJKSA-N 351.406 4.048 0 1 FIAF O=C1C[C@H](c2cnc(N3CCCC3)s2)Oc2c1ccc1c2CCCC1 587535476 LCUQWFBEFYARFF-QGZVFWFLSA-N 354.475 4.329 0 1 FIAF Cc1cccnc1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589164 UGSUFMVMAZYRTB-SIKLNZKXSA-N 361.397 4.059 0 1 FIAF COCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587592152 IFZIVHUDRAPZDF-UGKGYDQZSA-N 362.381 4.242 0 1 FIAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1C(=O)CCC1=O 587627550 BUZAFFQKLIZIKU-UHFFFAOYSA-N 364.245 4.167 0 1 FIAF O=C(c1ccc(Cl)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651393 SCGDEUVEKRBPGO-UHFFFAOYSA-N 353.592 4.045 0 1 FIAF CCN(/C=C(\F)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)CC 587708098 XVULHYRRAHWQBA-BWZWJLGTSA-N 359.258 4.316 0 1 FIAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587719045 OQISJCUZZNKRFA-XYZCENFISA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)cc(F)cc2F)N1 587723137 WACIKOBLQWONOD-HYORBCNSSA-N 371.200 4.072 0 1 FIAF CC(=O)C[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811841 HWGPVPYRRMWDDW-GTNSWQLSSA-N 356.279 4.343 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]2OC2CCC2)N1 587813294 UJTIRBPGDXXZQU-LWNYNHHKSA-N 354.263 4.049 0 1 FIAF CCC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816343 WSVFFZDAPVVUOC-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF COc1cc(C)ccc1-c1nc2cccc(I)c2[nH]1 587924938 HJJCLHMVTFXYKC-UHFFFAOYSA-N 364.186 4.152 0 1 FIAF Sc1nc(S)c2nc(Cc3ccccc3Oc3ccccc3)[nH]c2n1 587949390 FCSCEDZWPGKMHA-UHFFFAOYSA-N 366.471 4.313 0 1 FIAF O=C(NCCc1nc(-c2cc(F)c(F)cc2F)cs1)c1ccccc1 653847657 POKRCQGROOYZLH-UHFFFAOYSA-N 362.376 4.200 0 1 FIAF Cc1ccc([C@@]2([C@@H]3CCOC(C)(C)C3)NCCc3ccc(O)cc32)cc1 963327973 BSNDTXLCPBIRME-XXBNENTESA-N 351.490 4.295 0 1 FIAF CC(C)C[C@](C)(N)COc1ccc(-c2ccnc3ccnn23)cc1C(F)F 1857596433 CKJNGEJAQQWVOA-FQEVSTJZSA-N 374.435 4.476 0 1 FIAF COc1ccc(Cl)cc1N1C(=O)[C@H]2CCCN2[C@H]1c1sccc1C 49669368 KGDQRWDMFNBNTH-CXAGYDPISA-N 362.882 4.228 0 3 FIAF COc1cc2c(cc1O)O[C@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@H]21 14819655 CVUYVQZALVRDIK-VFNWGFHPSA-N 354.402 4.225 0 1 FIAF biogenic CC[C@](C)(Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 27525338 LKDKURXBSFNRLD-NRFANRHFSA-N 355.434 4.117 0 1 FIAF CCOC(=O)/C=C/c1c(Oc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O 28818708 QQPBSTPUEOFJRW-CMDGGOBGSA-N 355.434 4.231 0 1 FIAF CCCCCCNC(=O)COc1ccc(-c2ccc(C(=O)O)cc2)cc1 40405518 XHVXHZSQTWQXRV-UHFFFAOYSA-N 355.434 4.127 0 1 FIAF O=C1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C(N1)[C@H](c1ccccc1)C2 40766761 JANYVRGTCTXBAJ-SCEDHHNCSA-N 374.528 4.461 0 1 FIAF CCC(CC)Nc1cc(N(C)c2ccc(OC)cc2Cl)nc2ncnn12 72119802 YYBQBSADJQMMBT-UHFFFAOYSA-N 374.876 4.155 0 1 FIAF COc1ccc(C2=NN(C(N)=S)[C@H](c3ccc4ccccc4c3)C2)cc1 95583827 YYRLRYVLVLGRLU-FQEVSTJZSA-N 361.470 4.243 0 1 FIAF CN1[C@H]2CC[C@H]1CC(NC(=O)n1cc(-c3ccccc3)c3ccccc31)C2 100810757 VWPSUDFXFCKZHR-OALUTQOASA-N 359.473 4.491 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1 101270254 JFSGUSJACVSEKX-TXEJJXNPSA-N 366.556 4.403 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@H](Cc1ccncc1)[C@@H]2O 299870006 HTDAGQQNWZEQOG-LFGKPXBPSA-N 363.501 4.473 0 1 FIAF in-vivo Ic1cccc2nc(-c3ccoc3C3CC3)[nH]c12 586901813 ONGATIBLZOXMAF-UHFFFAOYSA-N 350.159 4.305 0 1 FIAF Oc1ncnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12 587014992 BTTHNWSHYKKJOZ-UHFFFAOYSA-N 364.217 4.156 0 1 FIAF Cc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1F 587018800 AOKYIOZNVYPIFB-UHFFFAOYSA-N 362.430 4.405 0 1 FIAF COc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)cc(Cl)c1O 587045632 AHIQQQJYHVTRPR-UHFFFAOYSA-N 371.593 4.499 0 1 FIAF COc1cnc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1Cl 587064192 DLGDFWXFYCOCAY-UHFFFAOYSA-N 365.824 4.118 0 1 FIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)cc(F)c2[nH]1 587117908 XUTBCDOATACSFA-UHFFFAOYSA-N 353.106 4.428 0 1 FIAF Cc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1F 587127147 MOYTYVVWORTGRB-UHFFFAOYSA-N 350.275 4.452 0 1 FIAF CC(C)OC(=O)C1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC(F)(F)C1 587131286 CASCJZXGTIVVFE-UHFFFAOYSA-N 364.726 4.113 0 1 FIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(Cl)ncnc2[nH]1 587163427 PLHDBLQVIKKTOH-UHFFFAOYSA-N 352.756 4.043 0 1 FIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(CO)cc2[nH]1 587191039 KKUZNYJSYFTAIZ-SFHVURJKSA-N 367.449 4.012 0 1 FIAF CCOc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@H](C)C2 587407597 DASOEVIANGCOLD-MPBGBICISA-N 353.418 4.006 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ncc(-c4ccc(C)cc4C)o1)[C@@H](C2)C3=O 587436072 LFSKJMVHQAVVGW-KKSFZXQISA-N 361.397 4.456 0 1 FIAF C[C@@H](Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587521046 HYGQYPLCIPJWRC-XCLFUZPHSA-N 366.413 4.124 0 1 FIAF CC(=O)Nc1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536340 UWVJJAQDJRVFRC-HXUWFJFHSA-N 370.474 4.169 0 1 FIAF COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2ccc(F)c(Cl)c12 587629380 MZGXBGATYFQVNV-UHFFFAOYSA-N 367.710 4.261 0 1 FIAF O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O 587651924 RYFRXUYREQOJLN-GDBMZVCRSA-N 359.212 4.147 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn3ccccc3n2)N1 587776977 ZQXQLQMPWKWWKL-ADLMAVQZSA-N 374.257 4.034 0 1 FIAF CCc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587851117 AHMNYZGPQBZBRB-RTHLEPHNSA-N 355.276 4.231 0 1 FIAF CCCOc1cc(O)c2c(c1)/C=C/CCC[C@H](O)CCC[C@H](C)OC2=O 653816495 VAKPJPSYYNEHCE-MUMZPTDHSA-N 362.466 4.455 0 1 FIAF Cn1cc(-c2ccc(-c3cncc4ccc(-c5ccn(C)n5)nc34)cc2)cn1 653829430 DLRQNUMIROELBQ-UHFFFAOYSA-N 366.428 4.098 0 1 FIAF Cc1ccnc2c1CCN[C@]2(CCC(=O)O)c1c(C)c(C)c(C)c(C)c1C 963071269 QHKXPOQPYDHWQN-HSZRJFAPSA-N 366.505 4.186 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C(=O)OCC)c1ccc(F)c(F)c1 963238664 VUENUOYWTFFYBQ-OYHNWAKOSA-N 373.443 4.428 0 1 FIAF C/C=C/C(=O)Nc1cc2c(N3CCCc4ccccc43)ncnc2cc1OC 1857633687 YTAMTXBFSBGTJC-XVNBXDOJSA-N 374.444 4.237 0 1 FIAF CCCC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2C(C)C)cc1 1857652615 HEBKEKSDORZSCD-UHFFFAOYSA-N 361.463 4.316 0 1 FIAF Cc1ccc(C)n1CCCCCC(=O)NC[C@H]1CCCN2CCCC[C@H]12 2356580419 QYFULPBHTJQLJX-NHCUHLMSSA-N 359.558 4.046 0 1 FIAF COc1cc(C=Cc2cc(C)cc(OC)c2OC(C)=O)ccc1OC(C)=O 2356592905 OWPXZEXSHFEKJO-UHFFFAOYSA-N 370.401 4.033 0 1 FIAF CC(=O)c1ccc(O[C@]2(C)CCN(CCOc3ccc(C)cc3)C2)cc1 61905002 HBDIKNVSJJTSDO-JOCHJYFZSA-N 353.462 4.120 0 3 FIAF COc1ccc(C(=O)N[C@H](C)c2cc3c(cc2Cl)OCCCO3)cc1 668084 NGEZKANXMMETIV-GFCCVEGCSA-N 361.825 4.001 0 1 FIAF CC(=O)c1nc(/C=C/c2ccccc2)c2ncn(Cc3ccccc3)c2n1 5884634 BONPNTDDMHVIHD-OUKQBFOZSA-N 354.413 4.248 0 1 FIAF CCCCc1ccc2nc(C)c(CN(C)C3CCN(C)CC3)c(O)c2c1 8717226 WNLPAFILETVHBK-UHFFFAOYSA-N 355.526 4.117 0 1 FIAF CCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCO3)cc1 13652280 GFCMLNHBCJGEJM-UHFFFAOYSA-N 354.402 4.143 0 1 FIAF CC(C)(CC(=O)O)Cc1nc2cccnc2n1Cc1ccc(Cl)cc1 13826799 KEOWZMVAXWDKSK-UHFFFAOYSA-N 357.841 4.176 0 1 FIAF CC(C)(CCOc1ccc(OCCC(C)(C)C(=O)O)c(Cl)c1)C(=O)O 25974779 BAYWIZSRWSTNAM-UHFFFAOYSA-N 372.845 4.099 0 1 FIAF CCC(=O)CN1CCCC[C@H]1C(=O)N[C@H](/C=C/c1ccccc1)[C@@H](C)CC 26746137 CVYXVHLERDWPTG-QGJZVODNSA-N 370.537 4.064 0 1 FIAF N=C(N)c1ccc2[nH]c(-c3cccc(-c4cc(F)ccc4O)c3O)cc2c1 40556795 ZUIFDFCNIRXSDD-UHFFFAOYSA-N 361.376 4.336 0 1 FIAF CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(F)cc3)n2)C1 82068876 SXSWVECQIWYIBY-MGPUTAFESA-N 359.445 4.397 0 1 FIAF CC[C@H](C)[C@H](Nc1nc(-c2ccccc2)cs1)C(=O)NCC(F)(F)F 82195268 KIUWJGDILGMOCS-FZMZJTMJSA-N 371.428 4.315 0 1 FIAF O=C(Cc1nc(C(F)(F)F)cs1)c1cncc(Oc2cccnc2)c1 96178153 BXBDPHYXVPSUGJ-UHFFFAOYSA-N 365.336 4.170 0 1 FIAF COc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(OC)cc3s2)cc1 103294168 WUBDRBWEHZSUGC-CABCVRRESA-N 354.431 4.056 0 1 FIAF Cn1cc([C@H]2c3ccc(Cl)cc3C=Cc3scnc32)c(=S)[nH]c1=O 139311768 ZDHQVQVNOIWLNX-CQSZACIVSA-N 373.890 4.217 0 1 FIAF in-vitro O=C(NC1CCCC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167289553 VRIAEEFLBWQLLL-UHFFFAOYSA-N 367.424 4.046 0 1 FIAF COc1ccccc1N1C(=O)CS[C@H]1c1ccc(Br)cc1 169342645 KQMQDVPTVWHTEG-INIZCTEOSA-N 364.264 4.236 0 1 FIAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C(=O)O 205613018 HPKHSOHEPOWJGC-DQUFGQPPSA-N 358.478 4.366 0 1 FIAF in-vitro COC(=O)C1=CC=CC[C@@]2(C)C[C@H](c3ccoc3)OC(=O)[C@@H]2CC[C@H]1C 254133156 LDIUDVOTXDYTPG-IZQPOCBFSA-N 358.434 4.366 0 1 FIAF Cc1nccc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 586985756 RFKXXHQNRKMKPV-QGZVFWFLSA-N 371.282 4.214 0 1 FIAF Cc1ccc2c3c(c4c(nc13)Cc1sc(=N)[nH]c1C4)-c1ccccc1C2=O 587101111 DFNRLFPUUWIZCG-UHFFFAOYSA-N 369.449 4.119 0 1 FIAF CN(C)CCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331127 ALSYMHUYNYHYMI-UNMCSNQZSA-N 371.452 4.381 0 1 FIAF C[C@]1(Cc2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339965 RLBCCZFPYYRXTA-IFMALSPDSA-N 363.388 4.287 0 1 FIAF O=C1C[C@H](c2cncc(Br)c2)Oc2c1ccc1c2CCCC1 587495478 DHGYUXXTFBFWLR-QGZVFWFLSA-N 358.235 4.429 0 1 FIAF C[C@]1(c2c[nH]c3ccncc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589465 PCMXAGYIATWIKO-DENIHFKCSA-N 372.380 4.146 0 1 FIAF Cc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614400 SHNLTXLVSIWPCF-VQIMIIECSA-N 353.399 4.034 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cnn(C)c3c2)N1 587759350 KINLCUGZIRTGJU-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C(C)C 587765737 TXRHWBNQRSBRTD-DYZYQPBXSA-N 366.278 4.298 0 1 FIAF Cc1c(F)ccc2c1[C@](COC(F)(F)F)(c1ccccc1F)NCC2 962144525 LHINRPFCGLLQOK-KRWDZBQOSA-N 357.322 4.199 0 1 FIAF COc1c(F)cc(F)c([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1F 963117458 WSYLPNXDLUVVBJ-BBATYDOGSA-N 351.343 4.362 0 1 FIAF CCC(C)(C)c1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1 1857636678 PRBFPVYWAJXQMI-UHFFFAOYSA-N 367.537 4.360 0 1 FIAF S=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1n1ccnc1 1857761060 RKCVLYZVWXOMRW-QGZVFWFLSA-N 352.850 4.326 0 1 FIAF COc1ccc(-c2c(OC)c(O)c(-c3ccc(O)cc3)c(O)c2OC)cc1 1857763555 QOFOPUXDBNNMHW-UHFFFAOYSA-N 368.385 4.163 0 1 FIAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CNC(C)=O)C=C3C)[nH]c2c1 2356288125 WWLSINURQHPUEZ-YQVWRLOYSA-N 369.509 4.105 0 1 FIAF O=C(Cc1ccccc1)[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 1613238 WMQZVPBCSRYHLI-NRFANRHFSA-N 350.439 4.013 0 1 FIAF O=C(Oc1ccccc1)N1CCC2(CCCN(Cc3nccs3)C2)CC1 4238005 RDCMUVUUEFVYFO-UHFFFAOYSA-N 371.506 4.020 0 1 FIAF CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 13606918 ZODZKHUBOYRAIY-ZWKOTPCHSA-N 351.446 4.498 0 1 FIAF COc1ccc2cc1Oc1ccc(c(O)c1OC)CCCC[C@@H](O)CC2 15251159 QFUYWQPDFLHXSV-MRXNPFEDSA-N 358.434 4.222 0 1 FIAF biogenic c1ccc2ncc(N3CCC(c4nc(-c5ccncc5)no4)CC3)cc2c1 40891764 BDKJSUBPXCXIJD-UHFFFAOYSA-N 357.417 4.064 0 1 FIAF Cc1[nH]c(C)c(-c2ccc(-c3ccccc3)nc2)c(=O)c1Br 45191366 KFECZHNFMFHHIT-UHFFFAOYSA-N 355.235 4.483 0 1 FIAF CC(C)/C=C/Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 49089456 XHRMNTNDCDDFQR-RTLBZRNLSA-N 354.402 4.265 0 1 FIAF CCCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2)n1 82133202 ISRODNNHUCQWFO-UHFFFAOYSA-N 352.482 4.228 0 1 FIAF CC(=O)OC[C@]12CC[C@H](C)[C@](C)(CCc3ccoc3)[C@H]1C=CC=C2C(=O)O 85692954 BUIGVZOGLRDZCC-IOYVRGJCSA-N 372.461 4.395 0 1 FIAF biogenic Cc1nn(CC(C)(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95566066 ODUNSAISNAIMDW-UHFFFAOYSA-N 365.880 4.197 0 1 FIAF COc1ccc([C@H](c2ccncc2)c2cc3c4c(c2)CCN4C(=O)CC3)cc1 95593453 HBGOJLPUGWUXFV-HSZRJFAPSA-N 370.452 4.106 0 1 FIAF CN(C)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96173943 CINDNKLAVSJIFW-UHFFFAOYSA-N 354.417 4.119 0 1 FIAF CC(=O)N1N=C(c2ccc(C)nc2)O[C@@]1(C)c1ccc(-c2ccccc2)cc1 96932235 SCZLUDYYSJDADY-QHCPKHFHSA-N 371.440 4.470 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@@H](O)[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C 100781059 COFSRJDBTTZNBZ-KOXDHLFVSA-N 364.526 4.015 0 1 FIAF endogenous,in-man C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(CC(F)(F)F)n1 299823016 JJGXXKFMWXTDDS-SCZZXKLOSA-N 374.313 4.491 0 1 FIAF Fc1ccc(CN[C@H]2CCCn3nc(COc4ccccc4)cc32)cc1 299839382 RBJSYIKURFYWRL-FQEVSTJZSA-N 351.425 4.226 0 1 FIAF N=c1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c[nH]1 586975297 MAZVWEGOASMROQ-UHFFFAOYSA-N 358.026 4.107 0 1 FIAF CC(C)(C)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1 587006868 CJHOIYAIZBTDAH-UHFFFAOYSA-N 370.254 4.333 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3CC[C@@H]2CC3=O)[C@@H]1c1ccc(F)cc1 587349192 FLQPJEGAWGUGQW-ABTLNGFYSA-N 366.388 4.018 0 1 FIAF CCN(CC)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587386502 KCHJDQYYUMTVEP-FQEVSTJZSA-N 354.450 4.139 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3ccnc3)c(F)c1)CC2=O 587465668 GXFZROQMSAWTIL-FQEVSTJZSA-N 366.392 4.376 0 1 FIAF Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2ccc(F)c(Cl)c12 587630912 SRNLJGGYWYLVTA-UHFFFAOYSA-N 360.816 4.403 0 1 FIAF Cc1ccc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587771542 MGEBJFWKVKMHNA-BLLLJJGKSA-N 363.274 4.500 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nc[nH]c3c2)N1 587800116 ABVZDVCWVMQQBN-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF CC(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812262 PTJACNFVQOBYMV-BMLIUANNSA-N 356.279 4.343 0 1 FIAF COc1ccc(CCCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1OC 587927822 XVHFDHQNXWDDDT-UHFFFAOYSA-N 366.248 4.457 0 1 FIAF CO[C@@H](C)COC1CCC(c2nc3ccc(Br)cc3[nH]2)CC1 587951588 HLUQLIVNGKJPBX-DCBWTQNWSA-N 367.287 4.403 0 1 FIAF CC1(C)CCC(Cc2nc3cc(I)cnc3[nH]2)CC1 587964009 XUMPHOQJDJERDV-UHFFFAOYSA-N 369.250 4.321 0 1 FIAF CCN1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 653701741 ZABXGRCMSFYKOV-LJQANCHMSA-N 359.311 4.176 0 1 FIAF Oc1ccc(-c2c(C(F)(F)F)n[nH]c2-c2cc(F)c(O)cc2O)cc1 1857568204 WTARDPPRRUVXAU-UHFFFAOYSA-N 354.259 4.018 0 1 FIAF O=C(Nc1ccc2[nH]ccc2c1)c1csc(Nc2ccc3n[nH]cc3c2)n1 1857601395 ONJAQUDRWXMTDL-UHFFFAOYSA-N 374.429 4.497 0 1 FIAF COc1cccc2c1[C@H](OC)O[C@]21Oc2cc(C)cc3ccc(O)c1c23 2356327523 CDINCUXIOCIGMM-NHCUHLMSSA-N 350.370 4.131 0 1 FIAF COc1ccc2c(c1)[C]1O[C@@H]([C@@](C)(Cl)Br)CC1=C(C)N2 2356811235 MOKQAYDROBMYHZ-UKRRQHHQSA-N 357.655 4.414 0 1 FIAF CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 8614556 NJCJHGJZWVIYPY-NGJIECEZSA-N 370.489 4.043 0 3 FIAF COc1cccc([C@@](C)(O)c2nc(-c3ccc(F)cc3OC)cs2)c1 61926421 RTGWKJDNDUEOME-LJQANCHMSA-N 359.422 4.222 0 3 FIAF COc1cccc(-c2cc(NCCc3c[nH]c4ccc(OC)cc34)ncn2)c1 4239286 QRJBXWYXNWSUGD-UHFFFAOYSA-N 374.444 4.297 0 1 FIAF aggregator CC(C)C[C@@H]1[C@@H](OCc2ccccc2)CO[S@](=O)N1Cc1ccccc1 5840968 UPNNHCINTOBUBN-YZIHRLCOSA-N 373.518 4.098 0 1 FIAF CCOC(=O)c1cccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)c1 8611283 FRLYBUYUWGLCHZ-UHFFFAOYSA-N 352.390 4.380 0 1 FIAF C[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 13449294 WUQKVKRTLLTZNV-HOCLYGCPSA-N 369.336 4.401 0 1 FIAF CCCOc1ccccc1C(=O)N[C@H]1CCCC[C@H]1CN1CCCCC1 13557350 GDCGIHOHEJXVRS-ICSRJNTNSA-N 358.526 4.250 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1cc(Cl)cc(Cl)c1 26179463 COVUFIPFVSEUOP-WSTOHFRZSA-N 370.232 4.415 0 1 FIAF CCCC(=O)OC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 27204605 WDNVGLUAUSKXKO-UHFFFAOYSA-N 359.857 4.109 0 1 FIAF COC(=O)CCC(=O)Nc1ccc(OCc2ccc3ccccc3c2)cc1 29226345 IOLNTFUMUUFRHQ-UHFFFAOYSA-N 363.413 4.311 0 1 FIAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1n[nH]c2ccccc12 40379654 IHAPBZBYXJKWJA-QRTHJKPMSA-N 367.880 4.231 0 1 FIAF O=C(O)[C@H](Cc1ccccc1Br)Oc1ccc(Cl)cc1 45484126 IXVYTFQVYOWLNP-AWEZNQCLSA-N 355.615 4.177 0 1 FIAF C[C@@H](Cn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1ccccc1 72123347 QUILLARCKJJGRL-HNNXBMFYSA-N 361.424 4.381 0 1 FIAF O[C@@H](CNCc1ccc(Cl)cc1)Cn1c2c(c3ccccc31)CCCC2 73139683 VIBCOACRFMCIBO-SFHVURJKSA-N 368.908 4.324 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1OC)CC2=O 73199078 SVTWZMCHLUEIGV-GOSISDBHSA-N 372.417 4.077 0 1 FIAF C[C@@H]1CCC[C@H](C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1 95576566 LEBIBPNJIMKQIQ-OCCSQVGLSA-N 359.857 4.142 0 1 FIAF COc1ccc2c(=O)c(/C=C/C(=O)Nc3ccc(Cl)cc3)coc2c1 95586946 GMJWWSSEBYIPGT-XNWCZRBMSA-N 355.777 4.107 0 1 FIAF CC(C)C(=O)OC1CCC(OC2CCC(OC(=O)C(C)C)CC2)CC1 103274967 IPSSMVCMJJDKPE-UHFFFAOYSA-N 354.487 4.024 0 1 FIAF O=C1[C@@H]([C@H](O)c2ccc(Cl)c(Cl)c2)CCCN1Cc1ccccc1 103282701 JUCFSJPYMAGOEA-CRAIPNDOSA-N 364.272 4.466 0 1 FIAF Cc1cccc(Nc2nc(-c3ccc(N4CCOCC4)cc3)cs2)n1 143083221 FRUNSWLBNULFRB-UHFFFAOYSA-N 352.463 4.094 0 1 FIAF O=C1c2ccc(COc3cccc(F)c3)nc2CCN1c1ccc(F)cc1 165905478 BHCSFEWFNXLJEJ-UHFFFAOYSA-N 366.367 4.142 0 1 FIAF CC(C)(Cn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccccc1Cl 225944974 WJNMKYLJNLYALB-UHFFFAOYSA-N 355.825 4.275 0 1 FIAF CC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3c(n2)[C@H]2CC[C@H]3C2)CC1 299867908 QSUHURPPIZAGGT-GJZGRUSLSA-N 364.497 4.422 0 1 FIAF Cc1ccc([C@H](C)[C@H](O)c2nc3c(C)c(Br)cnc3[nH]2)cc1 586892292 WJUWCFVEWKKCIK-BONVTDFDSA-N 360.255 4.174 0 1 FIAF Oc1cccc(CCc2nc3cc(Br)cc(Cl)c3[nH]2)c1 586896904 LTJPEXMXPQZAEN-UHFFFAOYSA-N 351.631 4.470 0 1 FIAF C[C@@H](SCc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 586963298 ZKNPZRNRKPCMAL-MRXNPFEDSA-N 367.518 4.390 0 1 FIAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(Br)cc(F)c2[nH]1 587059405 RSKUTGHBVWYRRR-LBPRGKRZSA-N 368.637 4.360 0 1 FIAF CN1CCN(c2ccc3nc(-c4c(Cl)[nH]c5ccccc45)[nH]c3c2)CC1 587087460 JXZRQTYKZIRUCV-UHFFFAOYSA-N 365.868 4.116 0 1 FIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)cc(F)c2[nH]1 587162932 HLKVQAPAKVTRFG-OAHLLOKOSA-N 366.209 4.255 0 1 FIAF COc1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2cn1 587247568 PKNBVMMFUCIWMT-UHFFFAOYSA-N 360.417 4.381 0 1 FIAF Nc1cccc(C(=O)O)c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587248340 NOYFPEFINRBRPD-UHFFFAOYSA-N 353.325 4.122 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(c3cccc(Cl)c3)CCOCC1)O2 587375902 AOWYMSFWAGIMEH-LJQANCHMSA-N 371.864 4.313 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1OC(F)(F)F)O2 587382582 NDZDIDRWAPJZBY-AWEZNQCLSA-N 355.287 4.321 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc4cccnc14)[C@@H](C2)C3=O 587417261 BAWPOZWORISYFJ-RBZFPXEDSA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCC(C)C)c1)[C@@H](C2)C3=O 587440685 HRFGVOHZVCARSI-AOMKIAJQSA-N 368.429 4.227 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CC1C(=O)CC(C)(C)CC1=O)CC2=O 587482376 NYAUYIVJBDEZDT-JOCHJYFZSA-N 372.461 4.033 0 1 FIAF COc1cc(N)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587511224 OATCEIGUNFFGRR-JOCHJYFZSA-N 367.445 4.045 0 1 FIAF C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571425 OECWDOVUSYLCTH-RXVVDRJESA-N 350.345 4.408 0 1 FIAF Cc1c[nH]c2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589719 QHAMQONJCNCNPU-SIKLNZKXSA-N 361.397 4.222 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2Cl)N1 587701254 WVMHESLBPPGMFW-XXFAHNHDSA-N 369.665 4.434 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(N)c2)N1 587720071 RAJNKAZYSCUSBK-XLFHBGCDSA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(F)c2)N1 587724392 HPTKTVZJKXGJOG-HUTHGQBESA-N 368.221 4.231 0 1 FIAF CC[C@@]1(c2cccc(N)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587748357 WMABMEUJYWZHHQ-ZMZPIMSZSA-N 363.274 4.358 0 1 FIAF CC(=O)c1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587816217 VKRDXEXTIPKALQ-XTZNXHDOSA-N 362.242 4.414 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC2CCOCC2)N1 587831879 AJZRYWVMUFPIOS-APPDUMDISA-N 356.279 4.154 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(Br)ccnc2[nH]1 587931868 UJENDVGGCFQACU-APPDUMDISA-N 358.239 4.174 0 1 FIAF COc1ccc([C@H](c2ccccc2)c2nc3nc(Cl)c[nH]c-3n2)cc1 587932358 DHHCWKFLNQXUKC-INIZCTEOSA-N 350.809 4.147 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587932717 YYSBZALDKMFTLU-SPLOXXLWSA-N 362.408 4.342 0 1 FIAF O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 587962085 QORKPFCZSXYPPQ-UHFFFAOYSA-N 368.742 4.453 0 1 FIAF NC[C@]1(C2CCC(F)(F)CC2)c2ccsc2CCN1Cc1ccco1 962707915 LKVORSFQUWCPNG-IBGZPJMESA-N 366.477 4.379 0 1 FIAF CCCCOc1ccc(Cl)cc1[C@@H]1NCCc2nc3ccccn3c21 962985756 GNYORXUDOFJECZ-IBGZPJMESA-N 355.869 4.402 0 1 FIAF COc1ccc(Cc2nnc3sc(SCc4ccccc4)nn23)cc1 1857754019 TWQDBEDBQNCHRH-UHFFFAOYSA-N 368.487 4.078 0 1 FIAF COC1(OC)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@]4(O)[C@@H]3CC[C@@]2(C)C1 2356649029 XHSWJTDGBUQZOI-KFKBYAQPSA-N 364.526 4.092 0 1 FIAF CC(C)=CCN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 12386548 MCGRZBWZIXYRDG-UHFFFAOYSA-N 372.900 4.392 0 3 FIAF COc1ccc(O[C@@]2(C)CCN(Cc3ccccc3OC(F)F)C2)cc1 61906894 YTBCUSBNXVUVOF-FQEVSTJZSA-N 363.404 4.340 0 3 FIAF COc1cc(OC)c(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)cc1Cl 2468475 HQNSHDUQDUAOTB-YJYMSZOUSA-N 374.824 4.127 0 1 FIAF Cn1cccc1CCNC(=O)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@H]21 28012373 MXIABTDFHLAMNE-CRAIPNDOSA-N 358.869 4.070 0 1 FIAF O=C(CCCN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1)C2)c1ccc(F)cc1 28397356 CPDKHEPGGZULPR-TYABSZSSSA-N 367.464 4.303 0 1 FIAF CCOC(=O)c1ccc(-c2nn(Cc3ccccn3)c3ccccc23)cc1 29064404 LQNQYRWCVOKQRN-UHFFFAOYSA-N 357.413 4.323 0 1 FIAF COP(=O)(OC)O[C@H](c1cc(C)ccc1C)P(=O)(OC)OC 29228056 XBOXDYUQUAKDPZ-ZDUSSCGKSA-N 352.260 4.205 0 1 FIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4c5nonc5CC[C@]4(C)[C@@H]3CC[C@]12C 31841154 BAZMQTKNLZZEHX-FCRQQUGWSA-N 358.482 4.274 0 1 FIAF O=C1/C(=C/c2ccccc2)N=C(NCc2ccccc2)N1c1ccccc1 33769576 VQJMRRFLHPFVIF-PGMHBOJBSA-N 353.425 4.220 0 1 FIAF Nc1nc(N)c2cc(N(Cc3ccccc3)Cc3ccccc3)ccc2n1 45192376 QWBLIOKKZNNDLI-UHFFFAOYSA-N 355.445 4.001 0 1 FIAF COc1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 72123224 MCDYBOWODFHEFX-UHFFFAOYSA-N 364.489 4.192 0 1 FIAF COc1ccccc1CCNc1cc(-c2cc(Cl)ccc2OC)ncn1 82161204 OFRXMFYALODNMG-UHFFFAOYSA-N 369.852 4.469 0 1 FIAF C[C@]1(O)CC[C@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1 113132500 GJHTYLYGUNJZOT-RHDGDCLCSA-N 356.857 4.155 0 1 FIAF COc1ccc(-c2cccc(-c3cccc(OC)c3OC)n2)c(OC)c1 169312283 RVTJOWVFCCAVCS-UHFFFAOYSA-N 351.402 4.450 0 1 FIAF Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cccc2F)nc1 207714902 JZKAXYYHWSWINW-UHFFFAOYSA-N 368.309 4.391 0 1 FIAF CC[C@@]12CCN(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 254124600 JRMZFWBHWGXMJV-FPOVZHCZSA-N 351.450 4.057 0 1 FIAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ncc[nH]c-2n1 586983207 XGROUJCWLKBVIO-CYBMUJFWSA-N 359.271 4.439 0 1 FIAF COc1ccc(C)cc1NCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587228823 IBAWPBRSVQZORG-UHFFFAOYSA-N 367.346 4.481 0 1 FIAF CCCN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342949 IDKRADGYCPTOOW-FQEVSTJZSA-N 369.436 4.135 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(Cl)nc1Cl)CC2=O 587458995 BYAZALWRCXHYIA-QGZVFWFLSA-N 367.232 4.322 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccccc3F)c1)CC2=O 587467800 SFRFZMKOLLGKIS-HXUWFJFHSA-N 366.392 4.376 0 1 FIAF COCc1ccc(OC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521932 FLRSDGHMXFFXGW-NRFANRHFSA-N 352.430 4.427 0 1 FIAF O=C1C[C@](c2ccccc2)([C@@H]2C[C@@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587528970 HELJVXWCWOVRDX-YYDVJCTNSA-N 362.425 4.147 0 1 FIAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587566805 BDVHEWWXOCEFJX-LAUBAEHRSA-N 366.344 4.243 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cnc1F 587571973 SWELLPJJCPHDOY-CRAIPNDOSA-N 371.751 4.283 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ocnc2c1 587585863 HUUSHHZCCUFLFB-RXVVDRJESA-N 359.337 4.236 0 1 FIAF Cc1ncsc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616767 GREOTWPYJPLXKN-HNAYVOBHSA-N 353.399 4.034 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N(C)C)N1 587756923 SJEGYZZUJUHJMA-VOJFVSQTSA-N 363.274 4.278 0 1 FIAF CC(C)N1CCC([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587769323 OSSVJUHSEDKNGM-SGTLLEGYSA-N 369.322 4.284 0 1 FIAF CC(=O)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587822884 NCFREZFNUXRPPA-SIMVJXQJSA-N 354.263 4.097 0 1 FIAF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc2cn1 587933461 YBTQRWHDMKRFAU-UHFFFAOYSA-N 359.385 4.087 0 1 FIAF CN1CCN(c2ccc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c3c2)CC1 587968632 VSKVMYDDGSKVRT-UHFFFAOYSA-N 362.521 4.154 0 1 FIAF CC(=O)C12CC([C@]3(C)c4cccc(F)c4CCN3[C@H]3CCSC3)(C1)C2 962694454 DLHRVXHOMLWNPH-SGRCFUTNSA-N 359.510 4.164 0 1 FIAF Cc1ccc2cc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)ccc2n1 962759511 BTHQCIIOKVGJQX-MOPGFXCFSA-N 370.374 4.278 0 1 FIAF Cc1ccc([C@@H](C)Oc2cc3onc(CCC(=O)O)c3cc2Cl)nc1 1772590431 JJYFYEMHHMSQAH-LLVKDONJSA-N 360.797 4.342 0 1 FIAF O=C1c2ccccc2C[C@H]1CCN1CCCN(c2ccc(Cl)cc2)CC1 1857585715 NFXJKWYVTYIEJD-GOSISDBHSA-N 368.908 4.297 0 1 FIAF Clc1ccc([C@H]2CCCN2CCCn2nnc(-c3ccccc3)n2)cc1 1857589046 DDKBYCWTKNZHNP-LJQANCHMSA-N 367.884 4.221 0 1 FIAF CC(=O)N1c2ccc(-c3cc[nH]c3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C 1857646211 NGBVNAZGPQQGHB-SCLBCKFNSA-N 355.438 4.003 0 1 FIAF CCCCC[C@H](O)C=C[C@@H]1[C@H]2C[C@@H](CO2)[C@H]1CC=CCCCC(=O)O 2356472886 LQANGKSBLPMBTJ-UHZRXMQZSA-N 350.499 4.336 0 1 FIAF O[C@]1(C2(c3ccc(Cl)cc3)CCCC2)c2ccccc2C2=NCCN21 1658397 MQDPHNCOCOWZEF-NRFANRHFSA-N 352.865 4.073 0 1 FIAF Cc1ccc(N2C[C@@H](c3nnc(Cc4ccc(Cl)cc4)o3)CC2=O)cc1 6823038 SGAGIGMXQVAREG-HNNXBMFYSA-N 367.836 4.143 0 1 FIAF N[C@H](COc1cnc(Cl)c(/C=C/c2ccncc2)c1)Cc1ccccc1 13819723 GTXCZZVIMWLREM-GHOSXJJBSA-N 365.864 4.249 0 1 FIAF CC1(C)C=Cc2c(ccc3c(=O)c(-c4cc(O)c5c(c4)OCO5)coc23)O1 14560115 VDBPHFIDFLHCRK-UHFFFAOYSA-N 364.353 4.079 0 1 FIAF biogenic CC(=O)c1c(O)n(O)c2cc(NC(=O)c3ccc4ccccc4c3)ccc12 18098613 ZTZXYRRDBCFZQC-UHFFFAOYSA-N 360.369 4.192 0 1 FIAF CCCC(CCC)C(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1 27525531 BWVIOYCQECKFCL-UHFFFAOYSA-N 367.493 4.354 0 1 FIAF Cc1c(-c2cccs2)nc(OC[C@@H]2CCCN2)nc1-c1cccs1 28525576 BJZDSGRSAQTUDP-ZDUSSCGKSA-N 357.504 4.373 0 1 FIAF S=C(N1CCC(c2cccc(Cl)c2)=N1)N1CCCc2ccccc21 40391905 WZQZUFZSSYAWMS-UHFFFAOYSA-N 355.894 4.488 0 1 FIAF Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(-c2cccc(O)c2)n1 40893708 AHQQIZOSEMZQQQ-UHFFFAOYSA-N 352.365 4.212 0 1 FIAF O[C@H](CNc1ccnc(Nc2ccccc2)n1)c1cccc(C(F)(F)F)c1 45226545 ZKCXVLUPUIIXKC-MRXNPFEDSA-N 374.366 4.385 0 1 FIAF COc1cccc2c1CCC[C@H]2OCCN1CCN(C2CCCCC2)CC1 66074007 UFLGEEOGQFUFKG-HSZRJFAPSA-N 372.553 4.040 0 1 FIAF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(CNC(=O)NCC)c1-3 72140996 NHXQUCQLRLAWTE-HXUWFJFHSA-N 363.505 4.038 0 1 FIAF CCCCCNc1ncnc2c1nc(C(C)C)n2CCc1ccccn1 82196898 JLHNRZZJSZBNMF-UHFFFAOYSA-N 352.486 4.190 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1ccc(Cl)cc1Cl 96901786 MXBUGAZMIAKHDO-WSTOHFRZSA-N 370.232 4.415 0 1 FIAF OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 102187010 GJFCEMOCWVYDKT-LVVAYYMOSA-N 364.570 4.405 0 1 FIAF COc1ccc([C@@H]2CC[C@@H](NC(=O)Nc3cccc4[nH]ncc34)C2)cc1 169704896 WKYAYIGRLGYSBA-HUUCEWRRSA-N 350.422 4.029 0 1 FIAF COc1cc(-c2oc3c(OC)cc(C=O)cc3c2C)ccc1OC(C)=O 238736378 AEJKWMJVHWOYBU-UHFFFAOYSA-N 354.358 4.163 0 1 FIAF O=S(=O)(c1ccc(F)cc1)N1CCCc2cc(-c3cccnc3)ccc21 299819905 CAQSZKZNIWSEJZ-UHFFFAOYSA-N 368.433 4.029 0 1 FIAF COc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1F 586901409 UIDHXZGJKSGGCM-UHFFFAOYSA-N 366.348 4.362 0 1 FIAF COc1ccc(C=O)c2cc(-c3nc4cnc(C(F)(F)F)cc4[nH]3)oc12 586903071 FKKLTYOGANEPEQ-UHFFFAOYSA-N 361.279 4.211 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cnc3ccccc3c2[nH]1 586916690 NKUFRALHQOMMDP-AOMKIAJQSA-N 357.413 4.328 0 1 FIAF O=c1ccc2cc(-c3nc4c(Br)cc(F)cc4[nH]3)ccc2o1 586918289 NSQIWICWQPBHPC-UHFFFAOYSA-N 359.154 4.238 0 1 FIAF O=Cc1cc(Br)cc(-c2nc3cnc4ccccc4c3[nH]2)c1 586982591 MJUFSYAYDAYGRQ-UHFFFAOYSA-N 352.191 4.353 0 1 FIAF COC(=O)c1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033679 ZFDCXLJFTZKOEP-UHFFFAOYSA-N 363.442 4.357 0 1 FIAF COc1cc(/C=C\c2nc3cc(=N)[nH]cc3[nH]2)cc(Cl)c1OCC(C)C 587047647 ZOZRALSFFVLXCV-PLNGDYQASA-N 372.856 4.238 0 1 FIAF Nc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1N 587124321 VSFOPJAZGAKRET-UHFFFAOYSA-N 368.384 4.059 0 1 FIAF COC(=O)c1cccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587230659 WIAWNAZAMOJZFK-UHFFFAOYSA-N 358.401 4.024 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)n(C)c3ccc(C=O)cc13)O2 587378847 DTSSGZKAVYJORO-KRWDZBQOSA-N 368.820 4.241 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](OCc3ccccc3)C1(C)C)O2 587404648 YKCRKYNFIZVGJD-SIKLNZKXSA-N 351.446 4.297 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC4CC4)c(C)c1)[C@@H](C2)C3=O 587443762 PKKAMBKWMGSBBQ-JTSKRJEESA-N 350.414 4.281 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(CN4CCCCC4)s1)[C@@H](C2)C3=O 587453481 WRUSMVJYNSHSQS-KKSFZXQISA-N 369.486 4.231 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1coc4ccc(OC)cc14)[C@@H](C2)C3=O 587455295 LTPACJNJMGJHJQ-BTYIYWSLSA-N 350.370 4.113 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc3[nH]c(=N)oc13)CC2=O 587460354 HKIAVMWAQZAYRK-INIZCTEOSA-N 372.808 4.258 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](CCc1nc3ccccc3o1)CC2=O 587482810 KIJFLXKQIBDMTD-CYBMUJFWSA-N 351.402 4.453 0 1 FIAF Cn1nc(C(F)(F)F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510646 WWKDWHSHFKIIFT-HNNXBMFYSA-N 350.340 4.024 0 1 FIAF CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587528606 COFXLRSEUGASIO-JQOQJDEVSA-N 354.446 4.180 0 1 FIAF CCCCn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578823 BGFUZZXIMCLTST-NQIIRXRSSA-N 364.401 4.092 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(O)c2F)N1 587720685 TYZFTGYRTLEJQF-HYORBCNSSA-N 372.184 4.196 0 1 FIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cncc(Br)c2[nH]1 587929511 KIXUGBZTYILBMK-GTNSWQLSSA-N 358.239 4.174 0 1 FIAF COC(=O)c1cccc2c1nc(-c1ccccc1O)n2Cc1ccccc1 653687489 VXAAZWKLKOSCOA-UHFFFAOYSA-N 358.397 4.244 0 1 FIAF CC1(C)CCC2(CC1)N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962699350 JAASYYKZNJMPAH-AWEZNQCLSA-N 359.363 4.239 0 1 FIAF CC(=O)[C@@H]1CCC(C)=C[C@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962703228 HZZZAMDZJVTYNK-DJPFJPOOSA-N 359.510 4.330 0 1 FIAF COc1cc2c(cc1O)[C@@]1(CC2)NCCc2c(Cl)cc(Cl)cc21 963108507 OGCSFEAVMROHMY-GOSISDBHSA-N 350.245 4.043 0 1 FIAF CO[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 1772584769 MQTTVQMAXLFPBX-COXJZWCISA-N 355.522 4.333 0 1 FIAF c1ccc(C2=Nn3c(Cc4ccc5ccccc5c4)nnc3SC2)cc1 1772606967 NCYYJJCSMGRRLD-UHFFFAOYSA-N 356.454 4.380 0 1 FIAF Oc1ccc(Cn2c(-c3cscn3)nc3ccccc32)c2cccnc12 1857549000 NTOUCWZDJVFSIO-UHFFFAOYSA-N 358.426 4.462 0 1 FIAF COc1ccc(NC(=O)[C@@H]2CCN(c3ncccc3C)[C@@H](C)C2)cc1Cl 1857602590 OFDMCTREFVQJJO-LSDHHAIUSA-N 373.884 4.296 0 1 FIAF COc1ccc2c(c1)-c1c(c3cc(OC)ccc3n1CCCN(C)C)CC2 1651450 NFJWAQHSGKOOSZ-UHFFFAOYSA-N 364.489 4.376 0 1 FIAF Cc1cccc(N2CC[C@H](NC(=O)Nc3ccccc3Br)C2)c1 1912206 UCJCBLGJQBYFKW-AWEZNQCLSA-N 374.282 4.158 0 1 FIAF Cc1ccc(Cl)c(Nc2ccccc2C(=O)N[C@H](C)C(=O)O)c1Cl 13438063 LOEPGBRKFZEPCZ-SNVBAGLBSA-N 367.232 4.248 0 1 FIAF O[C@@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 13674298 QOXZWRNEYHCQOU-FQEVSTJZSA-N 359.897 4.137 0 1 FIAF Cc1ccccc1CNc1cc(-n2ccccc2=O)cn2c(C)c(C)nc12 40955007 SECCFJLAASGLAY-UHFFFAOYSA-N 358.445 4.023 0 1 FIAF Cc1cn2cc(-n3ccccc3=O)cc(NCc3c(C)cccc3C)c2n1 40976853 ULMATGCZQYPUGP-UHFFFAOYSA-N 358.445 4.023 0 1 FIAF CN1CCN(c2nc(NCC3CCCCC3)c3cc(Cl)ccc3n2)CC1 45495406 YLCLVZULHOQJRR-UHFFFAOYSA-N 373.932 4.027 0 1 FIAF COCCOc1cccc(-c2nc3ccc(SC(C)C)nn3c2C)c1 72173294 VEAKZVFNXMJOGT-UHFFFAOYSA-N 357.479 4.230 0 1 FIAF CC(C)[C@H](CO)Nc1nccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12 74386624 ABJXCQFNFXKWIF-AWEZNQCLSA-N 364.371 4.073 0 1 FIAF c1ccc(-c2nc(N3CCOCC3)ncc2-c2nc3ccccc3s2)cc1 82162885 QSZJINNXZJLSPT-UHFFFAOYSA-N 374.469 4.257 0 1 FIAF O=C1N(Cc2ccc(Br)cc2)c2ccccc2[C@@]12CCCO2 95588328 TYDIAEUMRWQYJE-SFHVURJKSA-N 358.235 4.002 0 1 FIAF O=C(Nc1ccc(C(=O)O)cc1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 101073704 GVMGPQHXRIFVME-SAABIXHNSA-N 372.396 4.036 0 1 FIAF O=C(Nc1ccc(CC[C@@H]2CCCNC2)cc1)Nc1ccc(Cl)cn1 117726335 KTFZUNOOXPQURS-HNNXBMFYSA-N 358.873 4.311 0 1 FIAF CNc1cc(Cl)ccc1-c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587066605 FNRUDIAWIUGZPT-UHFFFAOYSA-N 350.205 4.365 0 1 FIAF Fc1cc(F)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 587082817 XIHSVCVJAASLHS-UHFFFAOYSA-N 360.751 4.395 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1cccc(Br)c1)O2 587378666 WQMKWNHFVDDAJT-GOSISDBHSA-N 360.251 4.306 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)[nH]1)CC2=O 587458161 GWTQQGYTYMLEJO-AWEZNQCLSA-N 350.212 4.142 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(Cc2ccccc2)C[C@H]1C 587481117 XUVGUAUIQDHGPR-WAIKUNEKSA-N 365.473 4.201 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(C(=O)OC)cc1)CC2=O 587482704 VDFNVPBUESKTRO-JOCHJYFZSA-N 368.429 4.402 0 1 FIAF O=C1C[C@@H](c2cccnc2Br)Oc2c1ccc1c2CCCC1 587495442 DFMIDHUZXGEPKB-INIZCTEOSA-N 358.235 4.429 0 1 FIAF OCCc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622299 IQSDOKGMEGLKJW-UHFFFAOYSA-N 374.213 4.148 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2Cl)N1 587705666 NOPKJPNORGUKDZ-FVMDXXJSSA-N 369.665 4.434 0 1 FIAF CCO/C=C/[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587720852 ODVZVRPPLIDVNR-JIXHJYAYSA-N 364.205 4.133 0 1 FIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C 587754368 YGLOFPOGDHZZPJ-VVVCHXIZSA-N 351.263 4.167 0 1 FIAF CC(C)c1nc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)co1 587774348 MRRFTUHGEUSEJK-BMLIUANNSA-N 367.262 4.497 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cccnc32)N1 587778200 LNKHSTSUCCFGLZ-VOJFVSQTSA-N 361.258 4.097 0 1 FIAF COc1cccc(C)c1-c1nc2c(Cl)c(Br)cnc2[nH]1 587785462 AWRCXXSANUKVGF-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF COc1ccc(C)cc1C(=O)CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587786565 HPLYTHWLWCMUQA-UHFFFAOYSA-N 366.314 4.252 0 1 FIAF CSc1ccc(-c2csc(/C(=C/c3ccccc3O)C(N)=O)n2)cc1 587925253 QJMAYRXMBQWNHX-XNTDXEJSSA-N 368.483 4.264 0 1 FIAF CCOC(=O)c1cc(C)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1C 587947273 VFIINTGBNSYULU-UHFFFAOYSA-N 372.484 4.333 0 1 FIAF C[C@]1(c2ccc3c(c2)[nH]c2ccccc23)N[C@H](C(=O)O)Cc2cc(F)ccc21 962890107 BSBKKRGOXIVBSC-JTHBVZDNSA-N 374.415 4.323 0 1 FIAF CC[C@@H](C)c1ccc([C@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962933216 SQRQLGKXQVEABX-MWTRTKDXSA-N 350.506 4.311 0 1 FIAF O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccco2)N1c1nc2ccccc2s1 1772630478 WZWAJRXWMJMHGZ-MSOLQXFVSA-N 362.410 4.425 0 1 FIAF CCCC(=O)c1c(O)ccc([C@@H]2CC[C@@H](O)c3cccc(OC)c32)c1O 2356848320 PDNKITHXMWOSQS-SWLSCSKDSA-N 356.418 4.048 0 1 FIAF OCc1cccc(-c2csc([C@](O)(c3ccccc3)C(F)(F)F)n2)c1 61902575 GTPKYPJVNVSUFU-QGZVFWFLSA-N 365.376 4.101 0 3 FIAF COc1cc(F)ccc1-c1csc([C@H](NC(C)=O)c2ccccc2)n1 61928124 IBSINTNSLSQFSE-GOSISDBHSA-N 356.422 4.183 0 3 FIAF Cc1cnc(CNc2ncnc3ccc(-c4ccc(N(C)C)cc4)cc23)cn1 4258335 JBTIXYZABMASJD-UHFFFAOYSA-N 370.460 4.073 0 1 FIAF COc1cc2c(cc1O)[C@H]1O[C@@H](c3cc4c(c(OC)c3-2)OCO4)[C@@H](C)[C@@H]1C 2356453498 AEMHOASRMDNCLT-SOPCJQGPSA-N 370.401 4.203 0 1 FIAF Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccccc4F)c3C2)nc1 114996857 GGDAJJXTRCEWJF-HNNXBMFYSA-N 363.440 4.055 0 1 FIAF CC1=NN([C@H]2C[C@@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)C(=O)C1 64274780 SQRHLGYXTXOMII-QWRGUYRKSA-N 365.277 4.101 0 1 FIAF CCC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 28822918 YGZRHRGVBAFDQH-UHFFFAOYSA-N 373.500 4.250 0 1 FIAF CN(C)CC[C@@H](c1ccc2ccccc2c1)n1nnc(-c2ccccc2)n1 64373243 PIKWEFAACQLYMF-NRFANRHFSA-N 357.461 4.034 0 1 FIAF O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 28456647 QYKWQRAFIZLFAO-PMSBKCLSSA-N 373.855 4.176 0 1 FIAF COC(=O)[C@H](C)[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 34801375 JABZAHXSNKLWRQ-FJLQFECOSA-N 373.537 4.051 0 1 FIAF Cc1c(Cc2nc3ccccc3s2)c2cc(F)ccc2n1CC(=O)O 38345115 XWZXWQGSDNDQMJ-UHFFFAOYSA-N 354.406 4.374 0 1 FIAF O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)cn1-c1cc(Cl)ccc1O 35242369 KWQYZLBWNYNZRO-UHFFFAOYSA-N 354.715 4.210 0 1 FIAF CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccn3)nc2c1 84688371 JXONDSQREGQXDN-UHFFFAOYSA-N 363.442 4.086 0 1 FIAF NCCCCN(Cc1ccc2ccccc2n1)[C@H]1CCCc2cccnc21 49784450 VOFGLQCBVYOHJC-QFIPXVFZSA-N 360.505 4.248 0 1 FIAF O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1cccc(O)c1 221103476 FKVZJYFGRRZHPL-JLHYYAGUSA-N 358.372 4.401 0 1 FIAF O=C(/C=C/c1ccccc1Cl)NCC12CC(CN1Cc1ccccc1)C2 2382231944 WJWHDVRJFXFMRC-ZHACJKMWSA-N 366.892 4.134 0 1 FIAF CC(C)N(C)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587738934 DMDQIOCRDHSSTF-SJKOYZFVSA-N 357.311 4.068 0 1 FIAF CCOC(=O)c1c(C)[nH]c(-c2[nH]c3cccc(F)c3c2C(=O)OCC)c1C 587636941 QFKNVBCICWRRPZ-UHFFFAOYSA-N 372.396 4.272 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnccc1Cl 587547659 MXNUATRSAJACCP-APWZRJJASA-N 353.761 4.144 0 1 FIAF CCc1ccccc1NC(=O)c1nc2c(F)c(Br)ccc2[nH]1 587240309 BWNCFZKDAZGOBG-UHFFFAOYSA-N 362.202 4.279 0 1 FIAF C[C@@]1(c2cccc(OC[C@@H]3CO3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587534997 HSACTRVFCHZLLE-JPYJTQIMSA-N 364.441 4.224 0 1 FIAF C[C@]1(c2cccc(O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570743 XQRRLARIAMVTQL-DYESRHJHSA-N 366.344 4.114 0 1 FIAF Cc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br 587156072 LOIFKTVNDRNMRD-DIFFPNOSSA-N 360.230 4.114 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC21CCOCC1 587609143 MGRKGVPUYDFTTF-AVRDEDQJSA-N 366.413 4.073 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(F)(F)F)c(F)c1)O2 587381189 HGLOTUXRZYNUBJ-MRXNPFEDSA-N 369.314 4.364 0 1 FIAF CCCC[C@H](CO)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587820158 AGOCSHHRMLZNFJ-XTQGRXLLSA-N 358.295 4.136 0 1 FIAF COc1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568116 CWOAGVODYZJZBC-WIYYLYMNSA-N 366.344 4.243 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccn4)cc1)[C@@H](C2)C3=O 587435448 GKTCJXWLVXMEHB-WMZHIEFXSA-N 373.408 4.158 0 1 FIAF Cn1ncc2cc(F)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587510859 XSNZYQUQBCTDDG-HXUWFJFHSA-N 350.393 4.298 0 1 FIAF C[C@@]1([C@H](N)Cc2ccccc2)c2ccsc2CCN1Cc1ccco1 962705925 GGBSXGOOBHGJLG-RTWAWAEBSA-N 352.503 4.185 0 1 FIAF CC(C)c1nn(C)c2c1[C@H](c1ccc(C(F)(F)F)c(F)c1F)NCC2 962920228 RAZMUMKFYODPGM-INIZCTEOSA-N 359.342 4.076 0 1 FIAF COc1ccc(-c2cccc(F)c2NCCCn2ccnc2)cc1OC 1772613592 YXWFBTSLYRLOIA-UHFFFAOYSA-N 355.413 4.209 0 1 FIAF COC(=O)c1cccc(NC(=O)COc2ccc(C3CCCC3)cc2)c1 1772645686 BXGIDUPEWAJWHP-UHFFFAOYSA-N 353.418 4.148 0 1 FIAF O=C(NCCC1=CCCCC1)c1cc(COc2c(F)cccc2F)on1 12112209 QTYHSZABOKQGMQ-UHFFFAOYSA-N 362.376 4.152 0 3 FIAF COc1ccc2c(c1)[C@@H](CCNC(=O)C(F)(F)F)[C@H](c1ccccc1)C2 13491245 LBYVRCORGULJGD-IRXDYDNUSA-N 363.379 4.187 0 1 FIAF Cc1cc(C)nc(-c2nc(NC(=O)Nc3ccccc3)c3ccccc3n2)n1 13808622 DXQVSOALHCCQJI-UHFFFAOYSA-N 370.416 4.348 0 1 FIAF Cc1noc(NC(=O)c2ccc(N[C@H](C)c3ccc(Cl)cc3)nn2)c1C 207423234 WRZHFXOZEJAJTN-GFCCVEGCSA-N 371.828 4.160 0 1 FIAF COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2OC)c1 1857750883 LBBUIPCOOWKOLP-UHFFFAOYSA-N 365.385 4.454 0 1 FIAF CCCC(=O)Oc1ccc([C@@H]2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1 1857763129 UHLNSVQMJSRUQO-INIZCTEOSA-N 370.401 4.127 0 1 FIAF C[C@H](CNS(=O)(=O)C(F)(F)F)c1ccc(-c2ccccc2F)cc1 13835043 IBHFIFRDYCECIF-LLVKDONJSA-N 361.360 4.035 0 1 FIAF CCCCCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O 13641961 QHIMKZJSJXLEKQ-QGZVFWFLSA-N 366.870 4.463 0 1 FIAF O=C(Nc1ccccc1C(=O)O)Nc1ncccc1OCc1ccccc1 13680195 OHGPTRSIFLGIJX-UHFFFAOYSA-N 363.373 4.003 0 1 FIAF CCSc1nnc(-c2nc(C(C)(C)C)c(O)c(C(C)(C)C)n2)s1 13796353 UXJLZLPNHILXSE-UHFFFAOYSA-N 352.529 4.408 0 1 FIAF CCOC(=O)c1cn2ncnc(Nc3ccc(F)c(Cl)c3)c2c1CC 14954016 DCVODVBLQRXBMG-UHFFFAOYSA-N 362.792 4.005 0 1 FIAF CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccccc1 28823157 UPDUYUXEJPRPQP-AWEZNQCLSA-N 367.898 4.216 0 1 FIAF C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@H](C)O3 29133643 MFKHKUNCZMBSOF-IKHFIWMDSA-N 352.386 4.059 0 1 FIAF CC(C)(C)C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2 29136168 NDNHQHDGXMCKAU-UHFFFAOYSA-N 353.510 4.468 0 1 FIAF CC[C@H]1c2c[nH]nc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 45262096 KJQPRNCOTYTPSD-INIZCTEOSA-N 373.865 4.390 0 1 FIAF c1cncc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)c1 45302836 XDPVKZUFJGIZEK-UHFFFAOYSA-N 351.460 4.336 0 1 FIAF CN1CC[C@H](N2CCCCc3cc(NC(=N)c4cccs4)ccc32)C1 84618349 CCQPLHUSAUKMET-KRWDZBQOSA-N 354.523 4.032 0 1 FIAF COc1ccc(CCN2CC[C@@]3(C)c4cc(O)ccc4C[C@H]2[C@@H]3C)cc1 101159949 CSFSJDAQGVFZGZ-IRBZQWRBSA-N 351.490 4.168 0 1 FIAF Cc1ccccc1/C=C/C(=O)Oc1cc(CCc2ccccc2)oc(=O)c1 103278722 YMGXDBUWSGYWKN-WYMLVPIESA-N 360.409 4.352 0 1 FIAF CN(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 141885685 AXMGOJZYPMTHKG-QTLDOONUSA-N 361.570 4.137 0 1 FIAF O=C1c2ccccc2C(=O)N1CCCCCCCCNCc1ccccc1 299856115 CBPLVCKGKVDMPI-UHFFFAOYSA-N 364.489 4.413 0 1 FIAF Clc1ccc(OCc2nc3c(Cl)ncnc3[nH]2)c(Br)c1 586976027 BEIOKSAKFVJNKW-UHFFFAOYSA-N 374.025 4.001 0 1 FIAF Fc1cc(F)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 586996720 YFWLHWUQMXKLFV-UHFFFAOYSA-N 352.182 4.258 0 1 FIAF Oc1ccc2scc(-c3nc4c(F)cnc(Br)c4[nH]3)c2c1 587032379 ITMRRZBSQRAJCC-UHFFFAOYSA-N 364.199 4.447 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@@H]3Cc4ccccc4S3)nc12 587043747 UQPIXBHZCFFCGG-JTQLQIEISA-N 350.216 4.249 0 1 FIAF Cc1nccc2[nH]c([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)nc12 587198517 HYRMXUOYVYVLKG-SFHVURJKSA-N 352.438 4.232 0 1 FIAF COc1cc(C)c(N)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587250154 UUXXTYFFZIIEAZ-UHFFFAOYSA-N 372.297 4.178 0 1 FIAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)on1 587343561 CRNFRKBIUPXICF-ICSRJNTNSA-N 353.349 4.102 0 1 FIAF COc1cccc(Br)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587378062 RUDIVCNFYBHMHL-OAHLLOKOSA-N 362.223 4.055 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)cc1F)O2 587386198 UFNAAGJZBYISAW-FQEVSTJZSA-N 354.425 4.413 0 1 FIAF COc1cc2c3c(c1)OC1(CCC(C4CCC(=O)CC4)CC1)[C@@H](C2)C3=O 587447861 WNNALZWITJDOTB-PYGWLIJMSA-N 354.446 4.131 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc3ccccn13)CC2=O 587459683 FIWKCUFAJAQJHA-OAHLLOKOSA-N 356.809 4.352 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@]2(C(=O)O)CC[C@@]1(C)C2(C)C 587489588 OEYHNTUDIPRTBE-BDTNDASRSA-N 372.461 4.350 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2F)N1 587725619 FOMIOACFNPJQII-XYZCENFISA-N 368.221 4.231 0 1 FIAF Cc1cc(C)n(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587763322 JGSAZQKXSPXVGZ-MEBBXXQBSA-N 366.278 4.067 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)c3ccccc32)N1 587766870 HODVRMSURWLGKK-HXPMCKFVSA-N 373.269 4.330 0 1 FIAF COc1ccc(C[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587809020 PINNXRAWLICXSJ-ZMZPIMSZSA-N 364.258 4.415 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCSCC2)N1 587857988 NRPVQQNREHZQKP-MGPLVRAMSA-N 358.320 4.481 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)CN1CCC(C)CC1 587871906 FAKOZLMXODHWLQ-MRXNPFEDSA-N 373.472 4.096 0 1 FIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)ncc2[nH]1 587932192 VMXXRKLPQQOICI-DIFFPNOSSA-N 358.239 4.174 0 1 FIAF CC/C(=C/c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)c1ccc(C)cc1 587968475 TWXUQPQQSCDCLQ-QINSGFPZSA-N 369.490 4.072 0 1 FIAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1cc2ccncc2o1 962720528 UMYPPKLLIPFZEI-VBKZILBWSA-N 354.450 4.420 0 1 FIAF O=C(Cn1c(-c2ccccc2)cc2cc(F)ccc21)NCc1ccccn1 1772572306 UXFSFDLEUWWWLP-UHFFFAOYSA-N 359.404 4.159 0 1 FIAF C/C=C(\C=C\c1ccc(OC)c(N)c1)c1cc(OC)c(OC)c(OC)c1 1772626802 NOBWBSDVGPMGMB-HZXZDEIGSA-N 355.434 4.420 0 1 FIAF O=C(O)C[C@H]1CCN(CC2CCCCC2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356552814 DFAVYTIGQMODOU-MSOLQXFVSA-N 369.509 4.099 0 1 FIAF CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)cs1 61929810 DBHIWNXUNICQOD-QGZVFWFLSA-N 362.376 4.453 0 3 FIAF COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 1486149 YJSBONOKYYPFLW-ACJLOTCBSA-N 358.869 4.084 0 1 FIAF CC[C@H](C)NC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2 3061172 XHQMJBUBUVCXKX-ZDUSSCGKSA-N 354.475 4.346 0 1 FIAF CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1NCc1cccs1 6797402 PFWDVHHAGUXEKN-UHFFFAOYSA-N 360.504 4.134 0 1 FIAF CC(C)COc1nc(Nc2ccc3[nH]cnc3c2)ncc1C(F)(F)F 28520307 BREDPQFTRFZMKV-UHFFFAOYSA-N 351.332 4.150 0 1 FIAF Cc1cccc(C)c1-n1c(=O)[nH]c2c(-c3ccccc3Cl)ncnc21 28644745 OEURJSXDLIZTJW-UHFFFAOYSA-N 350.809 4.046 0 1 FIAF CC(=O)O[C@H]1/C=C(\C)CC/C=C(\C)[C@H](O)C[C@@H](C(C)C)/C=C/[C@@](C)(O)C1 29042363 CLLDSYFHQCFUQA-PLGYIVMYSA-N 364.526 4.325 0 1 FIAF Nc1nc(N)c2c(CSc3ccc(Oc4ccccc4)cc3)coc2n1 34444187 VSYMYRGYJJADLD-UHFFFAOYSA-N 364.430 4.472 0 1 FIAF O=C(/C=C/c1ccccc1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 43076568 DXMGONNADLQMGE-GULCCPCXSA-N 374.459 4.383 0 1 FIAF COc1ccc(-c2cc3c(ccc4c5c([nH]c43)CCCNC5=O)cn2)cc1 72110847 BANJKHFCWCPJKD-UHFFFAOYSA-N 357.413 4.068 0 1 FIAF O=c1[nH]cc(-c2ccc3c(c2)OCCO3)c2sc(-c3ccncc3)cc12 72177910 ZPWUMOCCPBUNND-UHFFFAOYSA-N 362.410 4.090 0 1 FIAF Sc1nc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)no1 73141043 BJMUVQOYGOKWBR-OAHLLOKOSA-N 356.838 4.367 0 1 FIAF CC(=O)N1CCC[C@@]1(Cc1ccc(F)cc1)C(=O)CCc1ccc(F)cc1 84653461 DTIUJXVRHQAXOC-JOCHJYFZSA-N 371.427 4.090 0 1 FIAF COc1ccc(C(=O)N2CC[C@@H](c3c[nH]c4ccc(OC)cc34)C2)c(C)c1 84687276 WPGBUFDYSIUTPI-OAHLLOKOSA-N 364.445 4.123 0 1 FIAF CCOC(=O)[C@@H](C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)OC(C)(C)C 95557341 VLLHCVWYRFYJLE-UGSOOPFHSA-N 372.465 4.201 0 1 FIAF N[C@H](CO)Cc1c[nH]c2c(-c3ccc(Oc4ccccc4)cc3)cccc12 146733051 CREDWTOAIWREOM-SFHVURJKSA-N 358.441 4.489 0 1 FIAF Nc1ccc(-c2ccc3nc(/C=C/c4ccccc4C(=O)O)[nH]c3c2)cc1N 586881867 ZVLCKTXPWWEURQ-JXMROGBWSA-N 370.412 4.263 0 1 FIAF Cc1cccnc1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988837 XKQBQJRDBYDJSK-UHFFFAOYSA-N 352.393 4.446 0 1 FIAF FC(F)(F)c1cnc2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 587017083 HJMNPIBZGYMJPV-UHFFFAOYSA-N 350.325 4.284 0 1 FIAF CN(C)CCOc1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587097636 MBQOMLAPQFKJAH-UHFFFAOYSA-N 367.346 4.328 0 1 FIAF CCOC(=O)[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587105774 DVEKLTZBSMULIC-KRWDZBQOSA-N 357.409 4.429 0 1 FIAF FC(F)(F)OCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587124042 KSDUKLWUQCCVPR-UHFFFAOYSA-N 363.055 4.381 0 1 FIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(C(F)(F)F)cc2[nH]1 587176030 ZMISPVIATHFJIN-ZDUSSCGKSA-N 362.330 4.445 0 1 FIAF Cc1oncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346315 LVVPLHJSJQTWIG-QUCCMNQESA-N 353.349 4.102 0 1 FIAF CCCC[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349582 QBWZVWBDIWJQEV-CTNGQTDRSA-N 358.409 4.466 0 1 FIAF Cc1oc(-c2ccc(Cl)cc2)cc1-c1ccc2c(O)nc(O)nc2n1 587368426 JXSYEAQWGLNBAC-UHFFFAOYSA-N 353.765 4.325 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)s1)[C@@H](C2)C3=O 587453740 YUXWFCFRYGAQDQ-QFYYESIMSA-N 365.248 4.182 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1-n1cccn1)CC2=O 587465192 AVUQFNRNUCRRSL-FQEVSTJZSA-N 366.392 4.376 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ccc1OCOC)CC2=O 587477705 GAIXTDZPEJDJFH-FQEVSTJZSA-N 372.417 4.043 0 1 FIAF O=C1C[C@@H](c2[nH]c(O)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 587524791 KESQVRHRKZJWGT-SFHVURJKSA-N 360.413 4.368 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cnc1Cl 587572465 VFSAXJRJWRZRLU-QAPCUYQASA-N 371.751 4.283 0 1 FIAF COc1cccc(F)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587718044 HPRKQBLWJMCZAI-HUTHGQBESA-N 368.221 4.360 0 1 FIAF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C)c1C 587753737 WPCGJOZDOZSPKI-YYSFKGJASA-N 365.290 4.476 0 1 FIAF Cc1ccn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc2c1 587772200 DWWTVCGPUYZJRP-BBATYDOGSA-N 374.257 4.168 0 1 FIAF COCc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587803846 YAXMJMLAMRYFHT-BBATYDOGSA-N 364.258 4.358 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3ccccc3[nH]2)N1 587804506 REJUQTWBGDTUAL-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587932818 ZQMDRPPBLVUOPY-BBATYDOGSA-N 358.344 4.338 0 1 FIAF O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccnc(Br)c1 587941063 RDIZFLDJQZWNTQ-UHFFFAOYSA-N 371.234 4.319 0 1 FIAF Cn1cc(-c2ccc(-c3cncc4ccc(-c5ccnn5C)nc34)cc2)cn1 653825372 BEWMTAWSVCJGFE-UHFFFAOYSA-N 366.428 4.098 0 1 FIAF CCOC(=O)[C@@H]1C[C@@]2(C=C1C)c1ccsc1CCN2Cc1ccco1 962708829 KDVOKCMLSRVEEJ-UZLBHIALSA-N 357.475 4.124 0 1 FIAF C[C@]1(c2cnc3cccnc3c2)c2ccsc2CCN1Cc1cccnc1 963011902 OVENQDCUWIVPHT-QFIPXVFZSA-N 372.497 4.408 0 1 FIAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2Cl)c1 1772619989 UUZSJNLZBLNEFQ-GFCCVEGCSA-N 355.825 4.230 0 1 FIAF c1ccc(-c2nnn3c2[C@@H]2c4ccccc4CCN2Cc2ccccc2-3)cc1 1857554354 VPTJNXMKLVQWHQ-QHCPKHFHSA-N 364.452 4.395 0 1 FIAF O=C(O)C[C@H](c1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 1857629309 BVIHJQJHEQNRGQ-HXUWFJFHSA-N 371.392 4.166 0 1 FIAF CCCCCC=CC[C@H](O)[C@@H](C=C[C@@H]1CC=CCCCC(=O)O1)OC 2356378529 NGVOPKDYDKTASH-SLFFLAALSA-N 350.499 4.487 0 1 FIAF COc1ccc(C[C@H](C)[C@@H](C)Cc2cc(O)c(OC)c(O)c2)cc1OC 2356760222 PUBWXEQTXGPOAK-KBPBESRZSA-N 360.450 4.181 0 1 FIAF CC(=O)OCC1=CCC=C(C)C[C@H](O)[C@H]([C@@H](C)CCC=C(C)C)[C@@H]1CO 2356798491 PJCXILAVHZAFDU-KVJIRVJXSA-N 364.526 4.184 0 1 FIAF Cc1ccc([C@@](O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1 599404 DSPVMSJCMXFRKW-QHCPKHFHSA-N 355.441 4.190 0 1 FIAF COc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1 1647664 ORNCQZVTQNFZTO-UHFFFAOYSA-N 363.295 4.099 0 1 FIAF CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(F)cc4)cs3)c(=O)[nH]c2C1 8592532 YSZIMYAYJOFIES-UHFFFAOYSA-N 368.433 4.460 0 1 FIAF COc1ccc([C@H]2CC(=O)c3c([nH]c4ccc(Cl)cc4c3=O)C2)cc1 27086870 RDWTVRKFPURDIF-GFCCVEGCSA-N 353.805 4.103 0 1 FIAF CCC(=O)N(c1ccccc1OC)C1CCN(CCc2ccccc2)CC1 27866707 SFUHBOZPWMIOFT-UHFFFAOYSA-N 366.505 4.145 0 1 FIAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C[n+]1cn(C)c2ncnc(N)c21 28816707 HQBKNJKVLZVGQX-VZRGJMDUSA-N 354.522 4.257 0 1 FIAF Cc1ccccc1[C@H]1CCc2c(C(=O)N(C)C)cn3c(C)c(C)nc3c2O1 28867381 RWROJCCOJKVYCE-LJQANCHMSA-N 363.461 4.028 0 1 FIAF CCOC(=O)[C@@H](CCCCCCOc1ccc(OC)cc1Cl)C(C)=O 32138964 WAICTHOQAVURHA-INIZCTEOSA-N 370.873 4.446 0 1 FIAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](C/C(C)=C\CC[C@]4(C)OC[C@@H]2C)[C@@H]31 42891937 MDSDQZGJBVBIFN-DDVYNGAOSA-N 362.510 4.129 0 1 FIAF O=C(Cc1ccccc1)c1ccc(O[C@H](Cc2ccccc2)C(=O)O)cc1 45283451 KXORCUKBSWBOBF-JOCHJYFZSA-N 360.409 4.187 0 1 FIAF Cc1ccccc1CNc1noc(-c2sccc2Br)n1 45301640 SDXDXZTZPCEHPI-UHFFFAOYSA-N 350.241 4.481 0 1 FIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82197877 BJKMUVAWVKZJLC-KRWDZBQOSA-N 361.486 4.224 0 1 FIAF CC1=CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@@]12CC[C@@](C)(CC(=O)O)O2 85694595 KPFMUHQQIIEYKL-LXPIXPORSA-N 350.455 4.016 0 1 FIAF OCc1cccc2c1[C@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 100722037 JADWDHBWTZLECN-JTHBVZDNSA-N 370.428 4.077 0 1 FIAF COc1ccc2c(c1)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]1N2 169327988 YFKUKTNWFMXWJZ-TZIWHRDSSA-N 368.452 4.081 0 1 FIAF CCN(CC)c1nccc(NCc2sc(-c3ccccc3)nc2C)n1 299862261 MVGUNELGPBVQKF-UHFFFAOYSA-N 353.495 4.367 0 1 FIAF CC(C)Oc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Br 586916110 KKSGYKKXFRQTLS-UHFFFAOYSA-N 351.244 4.007 0 1 FIAF FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(Br)o3)[nH]c12 587006797 BQVOENDHJZFNQC-UHFFFAOYSA-N 367.512 4.048 0 1 FIAF Oc1nc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cs1 587017092 HVDPTLAJPILCAM-UHFFFAOYSA-N 364.146 4.173 0 1 FIAF Fc1c(F)c(F)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1F 587039216 CXCDYMXEEQLDEH-NXEZZACHSA-N 367.371 4.066 0 1 FIAF O=C1CSc2ccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2N1 587042162 ALSSLWTZCKWXGT-UHFFFAOYSA-N 365.336 4.173 0 1 FIAF CS(=O)(=O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587055114 RWTVQOLYKCEAMU-YVMONPNESA-N 367.257 4.444 0 1 FIAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccccc3[nH]2)c1 587154178 LYRMUALQZVDQFJ-UHFFFAOYSA-N 367.405 4.170 0 1 FIAF Fc1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)nc1Br 587155774 RUGCIOSYBOCMIB-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF CC[C@H](C(=O)c1coc2ccc(Cl)cc12)N1C(=O)c2ccccc2C1=O 587275501 BAEAYYYOSIJSIS-MRXNPFEDSA-N 367.788 4.344 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCC23CCOCC3)[C@@H]1c1ccc(F)cc1 587355693 FWYWPSNUBALZAP-DENIHFKCSA-N 368.404 4.220 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Cl)ccc1Br)O2 587375549 DKQKIOBROAEJFX-GFCCVEGCSA-N 367.630 4.095 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4-c4ccccc41)[C@@H](C2)C3=O 587447954 WZDUOWSYGRCCHM-YADARESESA-N 368.388 4.201 0 1 FIAF CCOCCCN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C)C1 587517341 LFUDRWORVYRLKL-HXOBKFHXSA-N 371.521 4.038 0 1 FIAF Cn1cc([C@@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2(C)C)cn1 587518075 ZYIQGQRRBSSGIZ-AVRDEDQJSA-N 350.462 4.217 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1C(F)F 587552432 ACCWFAANKRXHBK-QAPCUYQASA-N 357.312 4.292 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(C(F)F)c1 587556172 NTRXRHUHRHMPNG-QFBILLFUSA-N 369.323 4.428 0 1 FIAF CC(C)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587579325 DHIQGAPNAVCLLD-NQIIRXRSSA-N 364.401 4.047 0 1 FIAF COc1ccccc1-c1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)(F)F 587638443 LNUNJSJZECSRGL-UHFFFAOYSA-N 363.291 4.287 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(F)cc32)N1 587729138 GGMKCPSXWFXODC-MLCYQJTMSA-N 364.233 4.451 0 1 FIAF CC[C@H](C)n1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587760090 OBTVACIWWSQEOA-DINDLPBHSA-N 366.278 4.379 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3ncccc23)N1 587792437 HPHNXEXCVGSIFG-BMLIUANNSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCCC2=O)N1 587818850 FUUMGASXVVFEFS-HSOHIQCKSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSCC(C)(C)C2)N1 587858037 OFRTZQDTQADZII-MGPLVRAMSA-N 358.320 4.481 0 1 FIAF Cc1ccc(-c2cc(O)n(NCc3ccccc3Br)c2O)cc1 587941003 OUDJSCROPLEMFA-UHFFFAOYSA-N 373.250 4.381 0 1 FIAF COc1ccc2c(c1OC)[C@](C)(c1cccc3c1NCCC3)N(C)[C@H](C)C2 962632632 RSWJUKMNXGSLPH-CMJOXMDJSA-N 366.505 4.202 0 1 FIAF Cc1ccc([C@]2([C@H]3CCOC(C)(C)C3)NCCc3ccc(O)cc32)cc1 963327971 BSNDTXLCPBIRME-WMZHIEFXSA-N 351.490 4.295 0 1 FIAF CC(=O)Oc1ccc2c(c1)O[C@H]1c3ccc4c(c3OC[C@H]21)C=CC(C)(C)O4 2356422841 KNGZVZWMGYZZIN-UTKZUKDTSA-N 364.397 4.406 0 1 FIAF CC(=O)OCC1=CCC=C(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@H](O)[C@H]1O 2356608751 HEGSJGWQZOTDDO-GFRNBQLOSA-N 364.526 4.327 0 1 FIAF CC(=O)O[C@@H]1C(=O)C[C@@]2(C)[C@H](CC[C@]3(C)c4cocc4CC[C@H]32)C1(C)C 2356802620 SMKCOMIUBIKXNU-GIGYVVOSSA-N 358.478 4.447 0 1 FIAF CC[C@H](NC(=O)c1cc(COc2ccc(C)nc2)on1)c1ccc(C)cc1 15078329 YLDVAMMDKWVZRC-IBGZPJMESA-N 365.433 4.147 0 3 FIAF Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)nc1 13559996 IVVHFTRDYKTGCC-UHFFFAOYSA-N 367.412 4.227 0 1 FIAF C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(C(N)=O)c1 13587992 CIWNAGFVIRHUEY-YCRPNKLZSA-N 356.897 4.239 0 1 FIAF Cc1ccc(S(=O)(=O)Nc2c(C)c(C)c3c(c2C)CC(C)(C)O3)cc1 13652151 MVSCMLVMTAVMIT-UHFFFAOYSA-N 359.491 4.435 0 1 FIAF CCCCCC[C@H](C)C(=O)C=C1C(C(=O)OC)=C2C=COC(C)=C2[C@]1(C)O 14696205 DYUPDLYFDGWNBP-RCDICMHDSA-N 374.477 4.141 0 1 FIAF biogenic S=C1NC2=C(CSC/C2=C\c2ccccc2)[C@@H](c2ccccc2)N1 17254555 CSBPYIQKOFCNHJ-QIPHDZALSA-N 350.512 4.290 0 1 FIAF CC(C)C(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C(C)C)cc2)cc1 26002486 FUVULYPSTSHWMP-UHFFFAOYSA-N 354.402 4.040 0 1 FIAF CN(C(=O)Cc1cccc2ccccc12)[C@@H]1CCCC[C@H]1N1CCCC1 26839225 WHXOYHJXSJLTPK-FGZHOGPDSA-N 350.506 4.248 0 1 FIAF Oc1ccc[n+]2c1[C@@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 27107518 CDYZVJGLXZQGLG-CTNGQTDRSA-O 356.401 4.290 0 1 FIAF COc1ccc(N(C)c2nc(Cl)nc3cc(OC)c(OC)cc23)cc1 34554151 UWXHKNYUROKFSM-UHFFFAOYSA-N 359.813 4.077 0 1 FIAF Nc1nc(S[C@@H](C(=O)O)c2ccccc2)nc2sc3c(c12)CCCC3 45288994 JIQZAJZGIZSGNR-CQSZACIVSA-N 371.487 4.070 0 1 FIAF CCCCN/C=C1\C(=O)Nc2ccc(Cl)cc2N(c2ccccc2)C1=O 66262759 DZWWSULJWYWHIB-DTQAZKPQSA-N 369.852 4.230 0 1 FIAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCC3CC3)ncnc21 82180027 VRXJEKRDDFKWHK-ZDUSSCGKSA-N 351.454 4.067 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[C@@H](C)[C@H](C)C2=O 84154443 AQILVQJBVWGDOL-PVUDRZGPSA-N 354.402 4.033 0 1 FIAF biogenic,in-vitro CCCOC(=O)CCCN[C@]1(c2ccccc2Cl)CCCCC1=O 96911358 VBIALSIHBKQBCK-IBGZPJMESA-N 351.874 4.001 0 1 FIAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1CCN1CCCCC1 96928645 NAAUCTMXPMHSCE-MRXNPFEDSA-N 359.322 4.053 0 1 FIAF Cc1cc2nc(-c3ccoc3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C 103249571 KAWYXCRRDRVXKM-UHFFFAOYSA-N 370.416 4.010 0 1 FIAF O=C(C1CCC1)N1C[C@H](c2ccsc2)[C@H]2CN(C3CCCCC3)CC[C@H]21 105793737 DCINHGMCVZHZFP-NJDAHSKKSA-N 372.578 4.497 0 1 FIAF O=C1OC[C@H](c2ccccc2)N1c1ccnc(NC2CCCCCC2)n1 142142302 RRPDLVUUBWTLNP-QGZVFWFLSA-N 352.438 4.309 0 1 FIAF CN1O[C@@]2(N=C1N)c1cc(C3CC3)ccc1CC21CCc2ccccc2CC1 201219327 YTKAFLIKICTFHA-DEOSSOPVSA-N 373.500 4.030 0 1 FIAF CC(=O)OC[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(C)=O 253654172 ZJNYSXYHIAEESM-VRKKSXQKSA-N 374.521 4.059 0 1 FIAF COc1cc([C@@H]2OC[C@H](CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)O2)ccc1O 261499522 ZOGKSXQLOOQXFG-BNILDXAUSA-N 364.482 4.292 0 1 FIAF endogenous,in-man CC(C)(C)c1ccc(NC(=O)c2cnc3ccccc3c2O)cc1C(=O)O 299831926 JHMCBPGTFIEWSE-UHFFFAOYSA-N 364.401 4.188 0 1 FIAF O=S(=O)(/C=C/c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccccc1 586924113 HUMFDPWQVNTDSW-VOTSOKGWSA-N 353.230 4.314 0 1 FIAF Brc1c[nH]c2nccc(-c3nc4cnc5ccccc5c4[nH]3)c12 587001935 BHWZNOPBYAYNFX-UHFFFAOYSA-N 364.206 4.417 0 1 FIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(F)cc3[nH]2)c1 587203225 JQDRPAWABAOZLM-UHFFFAOYSA-N 354.385 4.219 0 1 FIAF O=C(O)c1cc(F)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587229138 ACWJFZDJHSVTEN-UHFFFAOYSA-N 362.364 4.074 0 1 FIAF CCCCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587402341 XPYBFIUFXZZFJM-LJQANCHMSA-N 355.434 4.471 0 1 FIAF CCCCC[C@@]1(CP(=O)(OC)OC)CC(=O)c2cc(C)cc(N)c2O1 587406313 BARMHYUEFHTQCO-SFHVURJKSA-N 369.398 4.347 0 1 FIAF COc1cc2c3c(c1)O[C@@](C(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587445221 IUDYISYZQTYRQI-CYFREDJKSA-N 370.404 4.221 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@H](C)Cc1ccc3c(c1)OCO3)CC2=O 587493145 SETSMIMWMFDJRP-ZUOKHONESA-N 368.429 4.286 0 1 FIAF O=C1C[C@@H](c2cnn(CC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587498506 IUPHDWUKXZRPBW-INIZCTEOSA-N 350.340 4.031 0 1 FIAF Cc1ccc2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 587585959 IZVVKWVUKRRBOA-DENIHFKCSA-N 372.380 4.051 0 1 FIAF Cc1cnc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587802313 KZFFVJKYCUKUCD-DYZYQPBXSA-N 374.257 4.397 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-n3cncn3)c(C)c2)N1 962955030 XQNJBIUVHUOMOQ-KKSFZXQISA-N 357.461 4.071 0 1 FIAF C[C@@]1(c2ccncc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962958328 OCDFSLSMIRLDAM-SFHVURJKSA-N 362.395 4.015 0 1 FIAF CCCN1CC[C@H]2CC(=O)[C@H](Cc3ccc(OC)cc3)[C@H]3CCC[C@@H]1[C@H]23 1772570380 RRRGKFRGFXTFPJ-DPCCUFRHSA-N 355.522 4.344 0 1 FIAF COc1cc(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)ccc1O 1772599032 CIXAFRQQSKZLEP-HNNXBMFYSA-N 355.415 4.131 0 1 FIAF COc1ccc(C=C2OC(=O)C=C2c2ccc(O)c(Br)c2)cc1 1857741932 RMWGZBOMTPESNY-UHFFFAOYSA-N 373.202 4.145 0 1 FIAF O=C(Nc1cc(-c2cn(-c3ccccc3)c3cnccc23)ccn1)NC1CC1 1911582919 LGUYVFVZZRHOGY-UHFFFAOYSA-N 369.428 4.371 0 1 FIAF Clc1cccc(-c2cnc([C@H]3COCCN3Cc3ccccc3)[nH]2)c1 2356299709 MYQLCYOCJAEAQC-LJQANCHMSA-N 353.853 4.304 0 1 FIAF COc1c(C(C)C)cc2c(c1OC)[C@]1(C(O)O)CCCC(C)(C)[C@H]1CC2 2356356959 FKPCESAYUWEVSC-ZHRRBRCNSA-N 362.510 4.148 0 1 FIAF COC(=O)[C@@H]1CC[C@H]2[C@@]3(CC[C@H]4C(C)(C)CCC[C@]42C)[C@H]1CO[C@H]3OC 2356376008 LAVQAESMCHBXRC-VFDYJZTESA-N 364.526 4.417 0 1 FIAF O=C(Nc1cccnc1SC[C@H]1CCCN2CCCC[C@H]12)c1ccco1 2356472269 PQVKSRSLFUSRQV-NVXWUHKLSA-N 371.506 4.284 0 1 FIAF Nc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ccccc2n1 198557363 ACESCAOJCUGDGU-UHFFFAOYSA-N 366.428 4.163 0 3 FIAF Nc1nc2cc(COc3ccc(C(=O)O)cc3)ccc2nc1-c1ccccc1 1639100 VUVLVEQZLCRMKA-UHFFFAOYSA-N 371.396 4.156 0 1 FIAF Cc1csc2nc(Cc3ccc(C(=O)c4ccccc4)cc3)[nH]c(=O)c12 5892941 CKYSQWCKEZHQOH-UHFFFAOYSA-N 360.438 4.115 0 1 FIAF COc1cc(/C=C/c2cc(O)cc(O)c2Cc2ccc(O)cc2)ccc1O 15262412 VFHNCULLCMIZKI-QHHAFSJGSA-N 364.397 4.279 0 1 FIAF biogenic,in-vitro CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3cccnc3)[C@@H]1C2 26489059 MKNRAYXGGSFILX-IQEPJAIFSA-N 370.493 4.063 0 1 FIAF CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(OC)cc3C)ccnc21 34136659 HWDVTQKJOJEFPM-LJQANCHMSA-N 363.461 4.445 0 1 FIAF CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CC2(CCCCC2)c2ccccc21 45374510 VSVCFDIMOHRRET-YADHBBJMSA-N 368.496 4.169 0 1 FIAF COc1ccc(CS/C=C\C[S@@](=O)Cc2ccc(OC)cc2)cc1 73197640 UWKWFEJGMAIOMN-BYBREMQWSA-N 362.516 4.400 0 1 FIAF CCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F 82150409 ZGILOJJEVFVTRG-UHFFFAOYSA-N 370.472 4.049 0 1 FIAF CN(Cc1ccccc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O 84729519 SERWHZWZIWJIEV-UHFFFAOYSA-N 371.440 4.132 0 1 FIAF CC1=C[C@H](OC=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 85694498 BAHVRTCQDFBKAW-ZPMJSYDFSA-N 364.482 4.103 0 1 FIAF biogenic O=C(Nc1ccnc(Cl)c1)c1cn(-c2ccccc2)nc1C(F)(F)F 103183338 GPTISLZPPCPSEL-UHFFFAOYSA-N 366.730 4.192 0 1 FIAF Oc1ccc2nc(-c3ccc(I)cc3)sc2c1 116554337 FDOVIUYCHHGPTD-UHFFFAOYSA-N 353.184 4.274 0 1 FIAF COc1cc2c(c(OC)c1OC)-c1cc3ccn(C)c3cc1C(=O)CC2 205428193 DAOKADOORPHZHT-UHFFFAOYSA-N 351.402 4.000 0 1 FIAF CCc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1Br 586976502 GAXGFYAZZFWGRV-HNNXBMFYSA-N 359.227 4.279 0 1 FIAF O[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1Cl 587059273 NJTGAKGQINWMCO-CYBMUJFWSA-N 355.594 4.200 0 1 FIAF Cc1c(Br)cc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2c1C 587079230 IEJKWXPHXDZWKM-SECBINFHSA-N 353.651 4.401 0 1 FIAF N[C@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F 587158996 ZKVLCQJNVFEDIY-BDJLRTHQSA-N 353.294 4.201 0 1 FIAF Cc1cc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2c(C)n1 587173613 YDPYXAMIULZQIE-UHFFFAOYSA-N 366.371 4.170 0 1 FIAF Nc1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc1CC(=O)O 587248885 ASQMKRLENQJMPZ-UHFFFAOYSA-N 359.385 4.232 0 1 FIAF C[C@@H]1CCCC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355084 SFBDGJMWBKRESO-RHZWSATBSA-N 354.377 4.018 0 1 FIAF CO[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357106 SOFXXUNJESCSNM-SFHLNBCPSA-N 356.393 4.218 0 1 FIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2c1OCO2 587535944 PLNOJAPNLKRCCL-KRWDZBQOSA-N 352.386 4.009 0 1 FIAF CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597641 RCYDJKSBFVJHFH-KNQAVFIVSA-N 362.381 4.494 0 1 FIAF CCO[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601102 QYNSIMURLDMTIZ-DBXWQHBBSA-N 354.402 4.072 0 1 FIAF CC(C)(CC(=O)O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601848 FXBZSZQMXTYPJG-UTKZUKDTSA-N 370.401 4.004 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cnc2F)N1 587740534 XXWAMGXZXGINOV-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF COCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587801519 LHASZCTYYPUTNX-VOJFVSQTSA-N 364.258 4.358 0 1 FIAF Cc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587852491 LOHGGFXFQIOSLG-ZKANADHPSA-N 369.303 4.459 0 1 FIAF O=C1c2ccccc2C(=O)N1CCc1nc(-c2cccc(Cl)c2)cs1 587921271 SUJMKRLYGDKXKE-UHFFFAOYSA-N 368.845 4.302 0 1 FIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(F)c(Br)c4[nH]1)(C3)C2 587969591 POLHIKLIBVTZGD-JIIRDLKHSA-N 363.230 4.111 0 1 FIAF Cc1c(F)ccc2c1[C@H](c1n[nH]c3ccc(Br)cc13)NCC2 962086893 CKQMBFFJRKIAAH-QGZVFWFLSA-N 360.230 4.008 0 1 FIAF C[C@]1(Cc2ccccn2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962633213 GFNTXVXPKLXMIR-ZCYQVOJMSA-N 369.512 4.286 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cccc(C)c1OC(F)F 963643181 ZKHIYIRNOZAOGW-KZULUSFZSA-N 363.404 4.237 0 1 FIAF O=C(O)CCCNCc1cc2cccc(-c3ccc4c(c3)OCO4)c2s1 1772630919 DZZJBUMZZFFKTR-UHFFFAOYSA-N 369.442 4.251 0 1 FIAF CC(=O)N1CCC(n2c(-c3cc(C)c(O)c(C)c3)nc3ccccc32)CC1 1857618924 QVGBKDQATJHHLK-UHFFFAOYSA-N 363.461 4.209 0 1 FIAF COc1ccc(C(=O)Nc2cnc(O)c(-c3ccc(C)c(C)c3)c2)c(O)c1 1857643556 JPIGOPGRWALTFB-UHFFFAOYSA-N 364.401 4.038 0 1 FIAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1CO 1911586835 HWVYZESZDOFDBI-UHFFFAOYSA-N 363.257 4.469 0 1 FIAF C[C@@H]1[C@H](Cc2ccc3c(c2)OCO3)O[C@H](c2ccc3c(c2)OCO3)[C@H]1C 2356721024 QPBYXPLUADJZPQ-WHRJUNERSA-N 354.402 4.099 0 1 FIAF CC(C)C(=O)N1CCC[C@]1(C)C(=O)Nc1cccc(Oc2ccccc2)c1 61928234 SZOKWBAAQTWXOV-JOCHJYFZSA-N 366.461 4.455 0 3 FIAF CCCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)C1=O 5783580 SZYDQVLZIFYHKM-SRYPRDQNSA-N 369.505 4.317 0 1 FIAF Cc1noc(NS(=O)(=O)c2cccc3c(NC(C)C)cccc23)c1C 13602341 IOVMJAOVAQFLLK-UHFFFAOYSA-N 359.451 4.066 0 1 FIAF CC(=O)N1CCC(Sc2c[nH]c3ccc(Br)cc23)CC1 27886618 AZSJYWHPDMPSCF-UHFFFAOYSA-N 353.285 4.033 0 1 FIAF CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccc(C=O)o1 28224476 GUHHDYPDIXDTMG-UHFFFAOYSA-N 359.765 4.173 0 1 FIAF CCC[C@H]1[C@@H]2Cc3ccc(O)c4c3[C@]1(CCN2CCc1ccccc1)CO4 29562448 SDQPVMFZNAUAFW-MZLICYQSSA-N 363.501 4.312 0 1 FIAF COc1ccc(CC[C@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1Cl 35013141 DOUHSGTYZGUXDN-LJQANCHMSA-N 350.842 4.116 0 1 FIAF CCc1c(C)sc2nc(C)nc(SCC(=O)NCc3ccccc3)c12 35290887 ADVMXMGKQQWZNC-UHFFFAOYSA-N 371.531 4.279 0 1 FIAF CCc1ccc(-c2c3c(nc4sc(C(N)=O)c(N)c24)CCCCCC3)o1 49069532 WFLFCWLGESAVJS-UHFFFAOYSA-N 369.490 4.459 0 1 FIAF COc1cc(-c2nc(N)sc2-c2ccc(C)cc2)cc(OC)c1OC 72108705 LOWCUEABOLQTAY-UHFFFAOYSA-N 356.447 4.394 0 1 FIAF CCN(CC)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O 95578845 GFOHDVQYMWFMOT-UHFFFAOYSA-N 370.456 4.246 0 1 FIAF Cc1ccc([S@](=O)(=NC(=O)Nc2ccc(Cl)cc2)N(C)C)cc1 102066667 LWFKZYXPSLAUAE-QHCPKHFHSA-N 351.859 4.184 0 1 FIAF CCOC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1C 142488082 ZHOTVXIWUTUNBH-UHFFFAOYSA-N 352.390 4.109 0 1 FIAF O=C(Nc1ccc([C@@H]2CCCNC2)cc1Cl)c1ccc(Cl)nc1 149968070 FDBQPLAFEKIJDZ-GFCCVEGCSA-N 350.249 4.108 0 1 FIAF CC[C@@H](C)CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2cc(Cl)cc(Cl)c2)C1 169352360 XNSDAFDBNJBZTP-JGTCGTHISA-N 369.336 4.480 0 1 FIAF CN(C(=O)Cc1cccc2occc12)[C@H](CN1CCCC1)c1ccccc1 197266868 JOFFUGWPRIBKAU-OAQYLSRUSA-N 362.473 4.271 0 1 FIAF CCN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1)C(C)C 205438467 PARBWTIWFTYNDO-UHFFFAOYSA-N 353.397 4.369 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2CO[C@@H]1C2 220064744 LQANGKSBLPMBTJ-CFMNAHKBSA-N 350.499 4.336 0 1 FIAF in-vitro CCc1cnc(-n2nc(OC(C)C)c(Oc3cccc(F)c3)c2C)nc1 299867605 QJJWESGXRXBQKB-UHFFFAOYSA-N 356.401 4.252 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586964397 YTNFOEVPMXDCBF-GFCCVEGCSA-N 357.483 4.303 0 1 FIAF CCc1ccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)cc1Br 586976885 ILMGHJDZBZKLGH-UHFFFAOYSA-N 359.223 4.341 0 1 FIAF CCO[C@H](C)c1nc(C)c(-c2nc3ccnc(Br)c3[nH]2)s1 587014258 KMTDFFUGBDEOHK-MRVPVSSYSA-N 367.272 4.250 0 1 FIAF CCS(=O)(=O)c1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2c1 587016888 PINIDWKDPXXSJT-UHFFFAOYSA-N 373.459 4.048 0 1 FIAF Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)cnc3[nH]2)cs1 587022577 ZVUFDHKDZAORDP-UHFFFAOYSA-N 360.240 4.147 0 1 FIAF C[C@@H](c1nc2c(S)nc(S)nc2[nH]1)c1ccccc1C(F)(F)F 587098925 USDNRRPCZSRTFY-ZCFIWIBFSA-N 356.398 4.101 0 1 FIAF CCc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587118305 LKAHRBBJGOXUJV-UHFFFAOYSA-N 361.327 4.044 0 1 FIAF Cc1cc(Br)cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c12 587166779 IWMHZCDFHKQBTG-VOTSOKGWSA-N 374.213 4.425 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]ccc32)[C@H]1c1ccc(F)cc1 587344952 HXUMZJFRTMKHQB-UNMCSNQZSA-N 363.388 4.450 0 1 FIAF O=C1C[C@@H]2C[C@]3(C[C@@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 587348577 DLLIAGYDQHUJBZ-DWXWKNJNSA-N 366.388 4.018 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(Cl)cc1C)O2 587379170 SZPNSZVYSOBDEH-FQEVSTJZSA-N 372.852 4.292 0 1 FIAF CC[C@@]1(c2ccc3c(c2)CCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450257 FESBPKCNPPUXLM-VGSWGCGISA-N 350.414 4.073 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1OCCCO3)CC2=O 587493116 RUAPNKSTCMNNOK-LJQANCHMSA-N 354.402 4.213 0 1 FIAF C[C@H]1CCCCN1C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517981 YEFXRJHJCZBVEK-OYHNWAKOSA-N 355.478 4.080 0 1 FIAF O=C1C[C@]2(CCC(=O)N3CCc4cccc2c43)Oc2c1ccc1c2CCCC1 587525064 MBAJDTJUKVJLLS-DEOSSOPVSA-N 373.452 4.109 0 1 FIAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587610496 GGXKSLXNFUFSMP-YLJYHZDGSA-N 367.426 4.223 0 1 FIAF CC(C)N(C)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743762 XVROWSUNNYZHIW-SJCJKPOMSA-N 357.311 4.068 0 1 FIAF Cc1cccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587768909 DQGMTIAGJGEDAN-KZULUSFZSA-N 363.274 4.284 0 1 FIAF Cc1cccnc1C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587772834 PCFWUNWORVFHKR-KZULUSFZSA-N 363.274 4.284 0 1 FIAF CCOc1ccccc1-c1cccc(-c2nc3c(O)nc(S)nc3[nH]2)c1 587780611 VSHNHXQMECPYRR-UHFFFAOYSA-N 364.430 4.080 0 1 FIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 587785943 PVFXGNUDADEKLJ-WDEREUQCSA-N 362.216 4.208 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C=O)c2)N1 587813785 DVTWNLARWPVVQG-ZMZPIMSZSA-N 362.242 4.198 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2C=O)N1 587847004 VVLSLXVVYRFGKI-AYVTZFPOSA-N 354.244 4.086 0 1 FIAF CSc1ccc(-c2csc(/C(=C\c3ccccc3O)C(N)=O)n2)cc1 587925240 QJMAYRXMBQWNHX-GDNBJRDFSA-N 368.483 4.264 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccnc(Br)c2[nH]1 587931756 SRVTXMPHVDQNIT-PIGZYNQJSA-N 358.239 4.174 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(N1)[C@H]1CCC[C@H]2CC(C(=O)O)C1 962946759 APOGJBZFWYZLAG-MRIWQRHASA-N 352.478 4.198 0 1 FIAF COc1ccc(C)cc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772630934 ILTDDEYZRIXKAD-QGZVFWFLSA-N 355.365 4.404 0 1 FIAF CC=C(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C 2356422914 XYKLXGAMSCMNFT-FDMCHOFFSA-N 374.477 4.159 0 1 FIAF CCCC(=O)c1c(O)ccc([C@@H]2C[C@H](C)Oc3cccc(OC)c32)c1O 2356845048 OAWMMWGPMODBFV-JSGCOSHPSA-N 356.418 4.392 0 1 FIAF O=C(NCCCCc1ccccc1)n1cc(-c2ccc(Cl)cc2)oc1=O 2382245075 FQETXKWQPWHCPE-UHFFFAOYSA-N 370.836 4.342 0 1 FIAF O[C@@H](c1cccc(OCc2ccccc2)c1)c1nnc(-c2ccccc2)o1 2659560 LOLWMDFPQUOWLY-FQEVSTJZSA-N 358.397 4.397 0 3 FIAF N[C@@H](CCc1ccccc1)c1csc(NC(=O)NCC2CCCCC2)n1 61928285 PCRKVVCIVQTBPV-KRWDZBQOSA-N 372.538 4.478 0 3 FIAF Cc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)o2)cc1C 5372047 ABIUAEIGVJNFCR-UHFFFAOYSA-N 357.797 4.024 0 1 FIAF CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2cnoc2)cc1 14946542 FQOHPYXGUDBOTN-UHFFFAOYSA-N 355.463 4.466 0 1 FIAF CCCc1c(OC/C=C\c2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O 27891669 RERWBDHQBOLRTH-XQRVVYSFSA-N 354.402 4.338 0 1 FIAF O=C(Nc1cccc(Cl)c1)C1=C(O)c2cc(Cl)ccc2[S@@](=O)C1 28104141 QYKAWVLWONHWMZ-HSZRJFAPSA-N 368.241 4.022 0 1 FIAF O=C(O)CC1=C(c2ccccc2)N=C(S)N[C@H]1c1ccc(Cl)cc1 29417479 HJIWJEKQUHCSLU-KRWDZBQOSA-N 358.850 4.156 0 1 FIAF Cc1ccc(O)cc1Nc1cc(Cl)nc(-n2cnc3ccccc32)n1 36187671 PVESGQMXHABCTN-UHFFFAOYSA-N 351.797 4.227 0 1 FIAF CC(C)(C)c1ccc(CNC(=O)c2c3c(nn2C(C)(C)C)CCC3)cc1 103187710 SBNYOZYUFLCIJV-UHFFFAOYSA-N 353.510 4.354 0 1 FIAF O=C(OC[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccs1)c1ccccc1 169359705 SPPHJQRBMCMDGZ-HJWRTJQDSA-N 365.498 4.471 0 1 FIAF CNc1nc(Nc2cc3nc(C)oc3cc2Cl)ncc1C(F)(F)F 169704563 UJGKVPASFSOSHW-UHFFFAOYSA-N 357.723 4.384 0 1 FIAF O=S1(=O)Nc2c(ccc3c(C(F)(F)F)ccnc23)-c2ccccc21 201614916 HGCCFQBVGNOGRJ-UHFFFAOYSA-N 350.321 4.035 0 1 FIAF c1cc(C2CC2)nc(-c2c[nH]c3ccc(-c4nnc(NC5CC5)o4)cc23)n1 203727052 DZGZWWIIVUJLHY-UHFFFAOYSA-N 358.405 4.127 0 1 FIAF OCC1(NCc2nc(-c3ccc(C(F)(F)F)cc3)ccc2F)CCCC1 204412680 PVOBWXWZVDNYED-UHFFFAOYSA-N 368.374 4.301 0 1 FIAF O=C(NCc1ccc(CSc2nc3ccccc3[nH]2)cc1)c1cccnc1 204983661 VPWZZRKSTILYTK-UHFFFAOYSA-N 374.469 4.180 0 1 FIAF Cc1ncc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(C)c1Br 586978791 HRYPLIJDVUXLBF-UHFFFAOYSA-N 355.598 4.192 0 1 FIAF CC(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017571 NGUCANOBXCIXOA-UHFFFAOYSA-N 361.426 4.491 0 1 FIAF O=C(/C=C\c1nc2ccc(OC(F)(F)F)cc2[nH]1)Nc1ccc(F)cc1 587166774 IUTSUUZAHYZOFW-FPLPWBNLSA-N 365.286 4.253 0 1 FIAF C[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173605 GDJZPGVYBPQBAN-QGZVFWFLSA-N 366.726 4.262 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2cc3c(cc2[nH]1)OCCO3)C1CCCC1 587224157 GAIRNSJIZYSNGA-KRWDZBQOSA-N 373.453 4.090 0 1 FIAF c1ccc(CNc2ncccc2-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587229596 IMGZYWCLVNDNRI-UHFFFAOYSA-N 372.428 4.398 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(F)(F)F)cc1)O2 587382293 OLUBUTPCUVTYJU-MRXNPFEDSA-N 351.324 4.225 0 1 FIAF Cc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407351 IPVSZFYXQXIYBE-OAQYLSRUSA-N 353.418 4.001 0 1 FIAF Nc1c(Cl)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549226 YUTDTNVAAKADNQ-OXJNMPFZSA-N 367.788 4.331 0 1 FIAF CC(C)COc1cccc(OCc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 587566105 VHXHSKLHJXBMFQ-UHFFFAOYSA-N 358.369 4.014 0 1 FIAF C[C@@]1(c2cnc3ccoc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588612 UFKGFTFBBKVBTA-KNQAVFIVSA-N 373.364 4.410 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(C2CC2)n1 587615076 VKFMEZUAEJTFEP-APWZRJJASA-N 365.410 4.429 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncccc3o2)N1 587778364 MNRDEOCZWSNVHW-VVVCHXIZSA-N 361.214 4.353 0 1 FIAF CC[C@]1([C@H]2CCOC(C)(C)C2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962645584 ZXZWCWFVFJCREZ-ZWWNWMABSA-N 361.526 4.391 0 1 FIAF Cc1sc2c(c1C)CCN[C@@]2(c1ccccc1C(=O)O)C(F)(F)F 963034372 YREZRNJCFWGDMW-MRXNPFEDSA-N 355.381 4.015 0 1 FIAF Nc1cc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)ccc1F 1857772337 GMYYEECYZOZSRB-UHFFFAOYSA-N 367.323 4.490 0 1 FIAF C[C@H]1C[C@H](NC(=O)[C@]23C[C@@H]4C[C@@](c5ccccc5)(C2)C[C@@](C)(C4)C3)CCN1 1911577278 USQNTEIDDXZKFE-LMVKOHTKSA-N 366.549 4.171 0 1 FIAF C[C@@H](O)[C@@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356496787 OCGURTBICGSGSG-OCSCJGOPSA-N 359.554 4.055 0 1 FIAF COc1cc2c(cc1O)O[C@@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)C=C4 2356543056 DDBMMQROTYGJPU-VBKZILBWSA-N 352.386 4.195 0 1 FIAF CCC=CCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@@H]1CCCCCC(=O)O1 2356547081 XZIRYBKRPWWONW-ZPAWYTMASA-N 362.510 4.079 0 1 FIAF COc1ccc2c(c1)[C]1O[C@H]([C@@](C)(Cl)Br)CC1=C(C)N2 2356811233 MOKQAYDROBMYHZ-DZGCQCFKSA-N 357.655 4.414 0 1 FIAF Cc1nc(NC[C@@H]2COc3ccccc3O2)c2c3c(sc2n1)CCCC3 753857 JQIBCBOCQUJBPJ-CYBMUJFWSA-N 367.474 4.130 0 1 FIAF Nc1c2c(nc3ccccc13)CCC[C@H]2N1CCN(c2ccccc2)CC1 1913929 FDSMRKVPFKEAPH-OAQYLSRUSA-N 358.489 4.017 0 1 FIAF O=C(N1CCCC1)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21 13758881 IWGXMWZWZDDGAL-UHFFFAOYSA-N 362.408 4.214 0 1 FIAF CCc1nnc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)s1 28712621 HXUUGNZDLMIMCN-LBPRGKRZSA-N 360.291 4.186 0 1 FIAF C[C@@H]1CN(CCCC(=O)c2ccc(F)cc2)CC[C@]1(O)c1ccccc1 29558892 JKXPWDUACRNDOH-VGOFRKELSA-N 355.453 4.018 0 1 FIAF CN(C)C12CCNC([C@@H](c3ccc(F)cc3)C1)[C@@H](c1ccc(F)cc1)C2 40423208 SQLVXEXTWOYNGQ-JTVPBKEVSA-N 356.460 4.288 0 1 FIAF CCOc1cccc(-c2nc(CNCc3ccccc3OCC)co2)c1 72184851 UUFYBWVGHVVHQX-UHFFFAOYSA-N 352.434 4.429 0 1 FIAF Sc1nnc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)o1 73139383 YCRSIAMBLFQPNZ-HNNXBMFYSA-N 356.838 4.367 0 1 FIAF COc1cccc(CCNc2cncc(Oc3cccc(F)c3)n2)c1OC 82068655 OGDYBUXIFNGLPI-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF CC(C)CN(CC(C)C)C(=O)c1cnc(NCC2CC2)nc1-c1ccco1 82142879 UNZZLCKHNYCDOS-UHFFFAOYSA-N 370.497 4.313 0 1 FIAF CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2cc(C)ccc2C)C1 96917469 CZNDSAVWLHTBOW-UHFFFAOYSA-N 354.498 4.256 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2Cc1ccccc1 100793306 AOTHPBKOMYVVMW-NCYKPQTJSA-N 353.437 4.135 0 1 FIAF Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(O)nc(O)c32)cc1 104109559 JZDXGYHOSBSUNH-AWEZNQCLSA-N 351.406 4.046 0 1 FIAF CC(C)(C)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 137021767 NQRVJJNFNBPWHN-FBBABVLZSA-N 360.494 4.443 0 1 FIAF O=C(NCCN1CC=C(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 169335012 KYMBDZPDDMRWQU-UHFFFAOYSA-N 374.459 4.498 0 1 FIAF COC(=O)c1ccccc1Nc1cc(O)n(-c2c(C)cccc2C)c1O 169691349 NMDOCESSPQKLIA-UHFFFAOYSA-N 352.390 4.036 0 1 FIAF O=C(Nc1ccccc1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 200259978 QLRZJFNUVYGKQQ-UHFFFAOYSA-N 364.276 4.343 0 1 FIAF COc1cc(-c2cc3c(C(=O)O)c[nH]c3cc2F)ccc1C1(O)CCC1 216010422 GEDJJMKZSDIMAR-UHFFFAOYSA-N 355.365 4.052 0 1 FIAF CN(C)CCCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1=O 299855549 BIUDOLJIMDLXQG-JLHYYAGUSA-N 367.880 4.172 0 1 FIAF CN(Cc1ccccc1)C(=O)C[C@H](CO)c1ccc(-c2ccccc2)cc1 473159633 XMGILOLXKQTVQQ-HSZRJFAPSA-N 359.469 4.478 0 1 FIAF O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 504197432 IJUBJARZEOLNML-XPCYVFFJSA-N 365.945 4.372 0 1 FIAF biogenic CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587044281 YVXXWFUTDKGXQB-LBPRGKRZSA-N 358.294 4.490 0 1 FIAF FC(F)(F)COc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)ccn1 587091026 FICRYXAEGKCCAF-UHFFFAOYSA-N 363.126 4.268 0 1 FIAF Cc1cnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 587117003 PGYCMORVZCODED-UHFFFAOYSA-N 369.778 4.255 0 1 FIAF COc1ccc(Cl)c(-c2ccc(-c3nc4cnnc(O)c4[nH]3)cc2F)c1 587143478 UXAXIGRDQOFFDZ-UHFFFAOYSA-N 370.771 4.194 0 1 FIAF Fc1cccc([C@H]2C[C@H]2c2nc3ccnc(Br)c3[nH]2)c1F 587152516 OVPGHZILIXAUNR-RKDXNWHRSA-N 350.166 4.270 0 1 FIAF Cc1cc(Br)cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c12 587163613 NBOUYKLNCKEKBU-INIZCTEOSA-N 362.246 4.424 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Br)cc(C)c31)O2 587373976 WFIGDXXRWQQCEL-IBGZPJMESA-N 372.262 4.455 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3oc(CO)cc3c1)CC2=O 587479511 IKERDGQRENXRRH-FQEVSTJZSA-N 352.386 4.290 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(C)cc1)CC2=O 587485524 XIAKFPOJNZDDQP-JOCHJYFZSA-N 368.429 4.077 0 1 FIAF C[C@@]1(c2cccc(OC[C@H]3CO3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587534999 HSACTRVFCHZLLE-MBSDFSHPSA-N 364.441 4.224 0 1 FIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 587785938 PVFXGNUDADEKLJ-GHMZBOCLSA-N 362.216 4.208 0 1 FIAF CCO[C@@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587807907 FDDIDYCCALKAOU-JUKMUDQWSA-N 356.279 4.153 0 1 FIAF COc1ccc(-c2ccnc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1 587874482 CHALEAYVUXCCMF-UHFFFAOYSA-N 360.348 4.250 0 1 FIAF Fc1ccc2c(c1)OCC[C@@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962700734 KIVMJEYJHQWSJV-QVKFZJNVSA-N 373.468 4.355 0 1 FIAF Cc1ccc2c(c1)CCCN2[C@@H](C)[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962917587 ZYIHDFSMNPWPAI-GAJHUEQPSA-N 366.553 4.054 0 1 FIAF Clc1cc(Cl)c2c(c1)[C@H](c1cccn1-c1nccs1)NCC2 963109124 OVKSGDSMEXVKQR-OAHLLOKOSA-N 350.274 4.476 0 1 FIAF CC(=CCCC(C)=CCCC(=CCCC(C)=CC(=O)O)C(=O)O)CO 2356383928 FGJWXLZRPBWZLH-UHFFFAOYSA-N 350.455 4.254 0 1 FIAF CNc1nc2cnc(Nc3cccc(C(C)=O)c3)cc2n1-c1ccccc1 74388364 XLBQPJUMCXBECV-UHFFFAOYSA-N 357.417 4.408 0 3 FIAF C[C@@H](NC(=O)[C@]1(C)CON=C1c1cccc(Cl)c1)c1ccc(F)cc1 772229 JSMZCJKERKIZFM-CWTRNNRKSA-N 360.816 4.097 0 1 FIAF Cc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)[C@@H]2N3C)c(C)c1 13470191 RQHQYLYBYIHRCT-IRLDBZIGSA-N 365.477 4.283 0 1 FIAF COc1cc(Cl)cc2c1Sc1ccccc1C[C@@H]2N1CCNCC1 22459557 HXYCAICFUKZMTG-INIZCTEOSA-N 360.910 4.002 0 1 FIAF N=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cc2c[nH]cn2)cc1 26382960 JXOKPIBNLUZFEA-UHFFFAOYSA-N 358.367 4.134 0 1 FIAF COc1ccc([C@@H]2CC[C@H](OCCCCc3cccnc3)O2)cc1OC 29309335 OHMYPLMLHSXMER-GHTZIAJQSA-N 357.450 4.316 0 1 FIAF Cc1ccc(CCc2noc(-c3cc4c(CCN(C)C)cccc4[nH]3)n2)cc1 36311412 BKACHYMVJKEMDI-UHFFFAOYSA-N 374.488 4.416 0 1 FIAF CCCC[C@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 40897955 LGSABXJREJOSNF-LBPRGKRZSA-N 368.485 4.111 0 1 FIAF CC1(c2ccccc2)CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 42887698 YKLQISOTHKATHJ-NQIIRXRSSA-N 350.506 4.121 0 1 FIAF CCc1cc(-c2cnnc3cc(OC)c(OC)cc23)cnc1NC(C)C 43203430 PNGQBTHQZFCYOQ-UHFFFAOYSA-N 352.438 4.092 0 1 FIAF CC1CCN(C(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2)CC1 82133203 PLPSDKUPWIJGHK-UHFFFAOYSA-N 364.493 4.370 0 1 FIAF COc1ccc(-n2s/c(=N/Cc3cccnc3)nc2-c2ccccc2)cc1 101506418 LUUDCVFVFMTEJR-XTQSDGFTSA-N 374.469 4.105 0 1 FIAF Cc1ccccc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C)s1 142652253 JCKHGGUFNSCJBF-UHFFFAOYSA-N 366.368 4.123 0 1 FIAF CSc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587006127 DBUUSVCEJDFWNX-UHFFFAOYSA-N 359.252 4.362 0 1 FIAF COc1cc(-c2nc3ccc(CCO)cc3[nH]2)cc(Cl)c1OCC(C)C 587046562 WAESQDQPYHKDOH-UHFFFAOYSA-N 374.868 4.462 0 1 FIAF CN(C)CCOc1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587080775 PQINKRKGRKSLBP-UHFFFAOYSA-N 368.868 4.160 0 1 FIAF Cn1cc(-c2nc3cc(F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 587113748 YWBXDIPQYXFLFN-UHFFFAOYSA-N 362.124 4.489 0 1 FIAF Cc1cc(F)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 587119882 KNACUTLPHQXSFH-UHFFFAOYSA-N 352.335 4.153 0 1 FIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)c(F)cc4[nH]3)cc2N1 587122186 AMSZWLPQLAQOGJ-QTTZVWFDSA-N 357.286 4.012 0 1 FIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(F)c4[nH]3)cc2N1 587124153 LWSIBOJDEBRUMV-QUBYGPBYSA-N 357.286 4.012 0 1 FIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Cl)ncc(F)c2[nH]1 587148057 YUNGHOBBJGCYMA-UHFFFAOYSA-N 363.730 4.096 0 1 FIAF Fc1cccc(Cn2nnc(-c3nc4ccc(Cl)cc4[nH]3)c2Cl)c1 587161414 NPDRZAAFRZHNPB-UHFFFAOYSA-N 362.195 4.316 0 1 FIAF O=C1C[C@@H]2C[C@]3(C[C@@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587348588 DLLIAGYDQHUJBZ-WPCGYXSLSA-N 366.388 4.018 0 1 FIAF COC(=O)CC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587379974 ZNEUITQHIKLLAC-FQEVSTJZSA-N 373.836 4.045 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2ccc(N)cc21 587388343 ASWJMPSDBLXYOY-JOCHJYFZSA-N 358.397 4.174 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(C(F)(F)F)c1F)[C@@H](C2)C3=O 587420193 IZHXCXRXWYNKBP-APPDUMDISA-N 352.283 4.342 0 1 FIAF CCOC(OCC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442852 YYXGIZKHCIFHHZ-UTKZUKDTSA-N 368.429 4.256 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Cl)cc2F)N1 587731366 ZCQIHQDVDPXOKL-NZFNHWASSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCC[C@@H](C)C2)N1 587760138 ISAXLRJKMUSGEY-FHSNZYRGSA-N 369.322 4.070 0 1 FIAF CC[C@]1(c2nccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587851099 AEPRWFBITGKQCI-VFZGTOFNSA-N 355.276 4.233 0 1 FIAF Sc1nc(S)c2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 587955453 JXASYFUWDYNCNA-CQSZACIVSA-N 364.499 4.305 0 1 FIAF COc1cc2ncnc(Nc3cccc(O)c3C(F)(F)F)c2cc1OC 653738962 CSBHHJCGVVKVOC-UHFFFAOYSA-N 365.311 4.115 0 1 FIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2sc3ccccc3c2Cl)N1 962891392 APBZXEFWZKZKQB-LRDDRELGSA-N 361.825 4.382 0 1 FIAF C[C@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3ccn4nccc4c3)cc21 1857556278 ZUKGMTHCBGREJH-HSZRJFAPSA-N 353.425 4.454 0 1 FIAF COc1cccc(-c2ccc(COC3CN(C#N)C3)c(C(F)(F)F)c2)c1 1911577118 DGRUGCJTCBRXGN-UHFFFAOYSA-N 362.351 4.063 0 1 FIAF C[C@H](c1ccccc1)n1cncc1C(=O)N1CCN(C2CC2)c2ccccc21 2382243769 LRVQGFKSRFYBMY-QGZVFWFLSA-N 372.472 4.122 0 1 FIAF CC(=O)Nc1ccc(OCc2nnc(SCc3ccccc3C)o2)cc1 2382258585 WTIPWQCXGXECDP-UHFFFAOYSA-N 369.446 4.208 0 1 FIAF Cc1ccc(NC(=O)Cn2cccc2C2=N[C@H](c3ccccc3)CO2)cc1C 4970869 BDYWBQIQFRAOMP-FQEVSTJZSA-N 373.456 4.262 0 3 FIAF CCOC(=O)[C@]1(C)CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 61904930 ZGIMYKALNGHFFG-JOCHJYFZSA-N 351.446 4.159 0 3 FIAF O=[S@](Cc1cc(Oc2ccc(F)cc2)ccn1)c1nc2cscc2[nH]1 3796089 XCDWLGZHXICGEK-VWLOTQADSA-N 373.434 4.259 0 1 FIAF COc1cccc(N(CCC2CCN(Cc3ccccc3)CC2)C(C)=O)c1 3814244 PGQDUDULHWMHKG-UHFFFAOYSA-N 366.505 4.350 0 1 FIAF CN(C)/N=C(\C=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27443154 UOYAWZHNPAQSQG-UCCVDZEESA-N 370.537 4.251 0 1 FIAF CCCC[C@@](C)(O)C1=CC[C@@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@@H]3C1 27714748 OULNYHNCKOSAJM-MYDTUXCISA-N 355.522 4.168 0 1 FIAF CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 28218156 NFZLTOGSVNNPTA-UHFFFAOYSA-N 367.257 4.454 0 1 FIAF COCOc1cccc2c1[C@@H]1OC(=O)O[C@]13CCC(C)=C(CO2)C3(C)C 28520663 XYIUNKCLFZSCAY-FXAWDEMLSA-N 360.406 4.145 0 1 FIAF CCCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@@H](C)CC3=O 29132933 PTJFQWDFNUUMQR-RYUDHWBXSA-N 354.402 4.283 0 1 FIAF O=C(NCC1CCCCC1)c1cnc(N2CCCCC2)nc1-c1ccco1 82141959 CDQHVEWQAZUBDL-UHFFFAOYSA-N 368.481 4.037 0 1 FIAF Cc1cc(NC(=O)c2cccs2)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 96922463 QDYLERBISXXLCK-FUHWJXTLSA-N 369.534 4.372 0 1 FIAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1/C=C/[C@@H](O)C1CCCCC1 101222282 CEHGUSRXHYTTPN-NKFJUPHUSA-N 362.510 4.479 0 1 FIAF C[C@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N(C)C2 169334409 ZSLWUVZDXDAKIP-POOHYDRCSA-N 353.865 4.055 0 1 FIAF CC(=O)OC[C@@]12CC[C@@H]3[C@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(C)=O 253633087 DJJZPTWGFYVUFB-VRKKSXQKSA-N 374.521 4.059 0 1 FIAF CC(C)Oc1cc(/C=C/C(=O)O)ccc1OC(=O)CCc1ccccc1 299821849 GUCGAYRBWZTVFB-FMIVXFBMSA-N 354.402 4.110 0 1 FIAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)s1 587014547 MYNJVRDMSDZSKS-NSHDSACASA-N 359.451 4.254 0 1 FIAF CC(C)Oc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587040968 KXKIOLOVVIVZFM-OALUTQOASA-N 353.491 4.296 0 1 FIAF COc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1C 587074774 YKGMTMJUQNGXSM-UHFFFAOYSA-N 367.840 4.149 0 1 FIAF Fc1cnc(Cl)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 587076152 JVJIIJIVIRBZKC-LLVKDONJSA-N 351.168 4.021 0 1 FIAF FC(F)(F)Oc1ccc2c(-c3nc4nccc(Cl)c4[nH]3)n[nH]c2c1 587127201 OIYMSKVLOUKMGZ-UHFFFAOYSA-N 353.691 4.053 0 1 FIAF O=C(/C=C/c1nc2c(Cl)c(Cl)cnc2[nH]1)Nc1ccc(F)cc1 587167199 PGFYSLUGYJHTGT-AATRIKPKSA-N 351.168 4.056 0 1 FIAF O=C(NC[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4)OCc1ccccc1 587214413 ZNGLGCFUBXMDJB-QGZVFWFLSA-N 372.468 4.365 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)ccc1Cl)CC2=O 587461222 RGCSQLFKOVSHEW-SFHVURJKSA-N 374.820 4.491 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(C)=O)c1)CC2=O 587470435 NDXCFSSTHSQISG-OAQYLSRUSA-N 353.418 4.184 0 1 FIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587531316 YITLTKIJQIBKPC-IFPHLHDHSA-N 366.457 4.180 0 1 FIAF Cc1cnc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587552482 RUIQQTWNQUTSPG-APWZRJJASA-N 367.788 4.452 0 1 FIAF CC(C)(CCC(=O)O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603303 LTPJREGDHSBDAJ-LAUBAEHRSA-N 370.401 4.004 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cl)c2N)N1 587691271 DRAXSGONZPZKRD-PWJLMRLQSA-N 369.665 4.447 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(F)cc32)N1 587729142 GGMKCPSXWFXODC-YPMLDQLKSA-N 364.233 4.451 0 1 FIAF COc1ccccc1C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805081 DCCQDYJTNZUJBS-XHDPSFHLSA-N 364.258 4.415 0 1 FIAF Cc1nc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587852840 NMXMELVYDOTWMB-VPTHRUTESA-N 369.303 4.459 0 1 FIAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1cc2ccncc2o1 962720525 UMYPPKLLIPFZEI-JLTOFOAXSA-N 354.450 4.420 0 1 FIAF CC(C)C[C@]1(c2cccc(Cl)c2)NCCc2ccc(C(=O)N(C)C)cc21 962933344 UNJFVSFALGLICZ-JOCHJYFZSA-N 370.924 4.477 0 1 FIAF CCOc1ccccc1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772612903 XZQBYPQTGQPGHX-KRWDZBQOSA-N 352.390 4.050 0 1 FIAF N=c1[nH]c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2s1 1857534850 HWVRAXQZLQFQPC-UHFFFAOYSA-N 359.454 4.228 0 1 FIAF COc1cc(OC)c(-c2cn3ccc(C4=CCNCC4)cc3n2)cc1Cl 1857590269 RWZYLEGPIILGDJ-UHFFFAOYSA-N 369.852 4.049 0 1 FIAF O=C(c1cccc(F)c1)c1cnc(Nc2cccc(Br)c2)[nH]1 1857590443 OBSUPDMLEQKBQE-UHFFFAOYSA-N 360.186 4.286 0 1 FIAF NC(=S)c1cccc(-c2cn(CCC3CC3)c3cc(CO)ccc23)c1 1857612764 LCDWRTGSNHZKKS-UHFFFAOYSA-N 350.487 4.235 0 1 FIAF CC[C@H](C)C(=O)c1c(O)cc(O)cc1OCC=C(C)CC=CC(C)(C)O 2356398389 YQCPAHSZPXSDHS-HNNXBMFYSA-N 362.466 4.369 0 1 FIAF CCOc1c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2nn1CC 8670352 PNPZPOAVLGBNER-IBGZPJMESA-N 363.461 4.262 0 3 FIAF COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(C)s3)C2)cc1OC 60230337 LYOVONCDTDKGKR-MRXNPFEDSA-N 359.491 4.169 0 3 FIAF COc1ccc2c(c1)c(CCNC(=O)C1CC1)c1n2CCCc2ccccc2-1 13494182 WUEZMAPOIUWNBE-UHFFFAOYSA-N 374.484 4.332 0 1 FIAF O=C(NOCc1ccccc1)Nc1ccc2c(-c3ccncc3)c[nH]c2c1 36338549 AEXHDVQUMQTOMN-UHFFFAOYSA-N 358.401 4.483 0 1 FIAF COc1ccc2c(c1)C[C@@H](NCc1ccc(-c3ccc4nc[nH]c4c3)cc1)C2 45201242 AXORJKGXBIQJSL-NRFANRHFSA-N 369.468 4.496 0 1 FIAF CN1CCN(c2ncnc3ccc(-c4ccccc4C(F)(F)F)cc23)CC1 64581865 ICYBZDGFVODRMW-UHFFFAOYSA-N 372.394 4.067 0 1 FIAF O=c1cc(Cn2c(C3CCC3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1 72111074 XQZAAJNMEPNWTM-UHFFFAOYSA-N 365.383 4.472 0 1 FIAF Oc1nc2c(O)c3ccc(-c4ccncc4)cc3n(-c3ccc(F)cc3)c-2n1 100018820 BLCNLPGQAGENEO-UHFFFAOYSA-N 372.359 4.138 0 1 FIAF CSCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccccc1 115232543 DXRHZZVHFMUUPE-UHFFFAOYSA-N 363.529 4.460 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cnc3ccccc3c2[nH]1 586916699 NKUFRALHQOMMDP-OPAMFIHVSA-N 357.413 4.328 0 1 FIAF C[C@@H](Sc1ncccn1)c1nc2cc(Br)c(F)c(F)c2[nH]1 586963170 XVTAROCPCMOJNR-ZCFIWIBFSA-N 371.210 4.247 0 1 FIAF O[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1Cl 587059423 PZQPQUXCRPNPPU-ZDUSSCGKSA-N 373.584 4.339 0 1 FIAF Cc1nn(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)c(C)c1Cl 587065471 QHSOCOXPHAPDCH-UHFFFAOYSA-N 359.220 4.081 0 1 FIAF FC(F)(F)[C@@](F)(Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 587089414 CUJXCOJMLJVORG-SSDOTTSWSA-N 366.927 4.297 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2ccc(C)c(C)c2[nH]1)C(F)(F)F 587093592 VKHIMULCZRSVNJ-SFHVURJKSA-N 363.383 4.343 0 1 FIAF CCn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587344738 YFPCUVCOBXFZDP-CTNGQTDRSA-N 366.392 4.022 0 1 FIAF CO[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357103 SOFXXUNJESCSNM-DYXWJJEUSA-N 356.393 4.218 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Br)ccc31)O2 587371578 KZKIEODVNJPSBY-GOSISDBHSA-N 358.235 4.147 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)c(F)c(F)c(F)c1F)O2 587382315 PRKACIHKXUEHSD-QGZVFWFLSA-N 357.278 4.153 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(CN3CCCCC3)cs1)O2 587408687 DAPWDNSNUVZQOE-SFHVURJKSA-N 356.491 4.331 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Br)cc1)[C@@H](C2)C3=O 587416663 DXMKMGNADLFMJM-HNAYVOBHSA-N 373.246 4.207 0 1 FIAF COc1cc2c3c(c1)O[C@H](/C(=C/N(C)C)c1cccc(Cl)c1)[C@@H](C2)C3=O 587418557 JCTRSKHHTXZHBH-CJHJKDEHSA-N 369.848 4.067 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)s1)([C@@H](C)O)CC2=O 587496669 ZPCUGYXNRLPYMV-MLCYQJTMSA-N 366.866 4.301 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccn2)N1 587696170 DCBZNLQAXXIGFH-FVMDXXJSSA-N 369.665 4.434 0 1 FIAF CCN(CC)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587741768 PATAXSLUMDPQGN-SJCJKPOMSA-N 357.311 4.070 0 1 FIAF C[C@@H]1CCCN(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587760139 ISAXLRJKMUSGEY-SNUQEOBHSA-N 369.322 4.070 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cccnc23)N1 587804515 RKNMGQZERBUZCF-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc2cccc(OC)c2o1 963044825 DNHQQRQLSDIACZ-OAQYLSRUSA-N 360.413 4.233 0 1 FIAF CCCCC[C@]1(c2ncco2)NCCc2cnc3c(OC)cccc3c21 963046964 NHOQHYDUZMKCOT-NRFANRHFSA-N 351.450 4.201 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC)[C@H](CC(=O)OC)C(=O)CC 963242924 QRHOFVAWDLJYHZ-ZWDAVXSWSA-N 359.510 4.107 0 1 FIAF FC(F)(F)Oc1ccc(C2=NO[C@H](c3cc4cncnc4s3)C2)cc1 1857543635 ZRQYMQSBVPLCRC-ZDUSSCGKSA-N 365.336 4.456 0 1 FIAF CCOCCCNC(=O)c1csc(Nc2ccc(Cl)c(C)c2)n1 1857619255 XZJKRMPBARVMBD-UHFFFAOYSA-N 353.875 4.005 0 1 FIAF COc1ccc([C@@H](C)N2CCC(n3c(O)nc4ccccc43)CC2)cc1 1857638972 MFGRGRRQSYVIFL-OAHLLOKOSA-N 351.450 4.149 0 1 FIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](C)[C@]23CCC(=CC(=O)O)O3)C1(C)C 2356571966 LLSQOJBRINBUMN-GNPZUCITSA-N 364.482 4.308 0 1 FIAF CS(=O)(=O)c1ccc(-c2cc3c(cc2C=C2CCCC2)OCO3)cc1 13530403 MIPCDTPPQASOKZ-UHFFFAOYSA-N 356.443 4.443 0 1 FIAF Cc1cc(C)c(-n2c(C)c(C)c3c(N4CCOCC4)nc(C)nc32)c(C)c1 13795084 SDVZUFDPOLTVRN-UHFFFAOYSA-N 364.493 4.108 0 1 FIAF COc1ccc2c(c1)O[C@@H]1c3c(cc4c(c3OC)CCC(C)(C)O4)OC[C@H]21 14613214 QWZQKTKRYJMEKY-VFNWGFHPSA-N 368.429 4.417 0 1 FIAF biogenic O=C(CCCCC[S@](=O)c1ccccc1)c1ncc(-c2ccccn2)o1 14980076 WPCBMXLUQSPZRO-AREMUKBSSA-N 368.458 4.288 0 1 FIAF CC(=O)c1ccc2c(c1)[C@@](O)(C[C@@H](C)CN(C)C)c1ccccc1S2 27731847 RXLJVFFMJLBOPC-SPLOXXLWSA-N 355.503 4.178 0 1 FIAF C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2c(c1)OCO2 28568456 CARSKLMPPXNAOS-HNNXBMFYSA-N 359.429 4.097 0 1 FIAF Oc1nc(CCCCCCCCCCCCc2nsc(O)n2)ns1 34648575 UYARUNQYZUBSKI-UHFFFAOYSA-N 370.544 4.487 0 1 FIAF COc1ccc(-c2cn3nc(Cc4noc5ccccc45)sc3n2)cc1 43023299 ASWISYMVVKFRET-UHFFFAOYSA-N 362.414 4.198 0 1 FIAF CSc1nc(NCc2ccccc2)c(C(=O)O)c(-c2cccs2)n1 53296728 RABULGLKUWBXPU-UHFFFAOYSA-N 357.460 4.237 0 1 FIAF COc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1 72108172 UJFMFYNKUHIJPA-UHFFFAOYSA-N 372.446 4.094 0 1 FIAF Brc1cc(-c2nnc(-c3ccccc3)o2)[nH]c1Br 95579361 RGVGDIDZUDVDEV-UHFFFAOYSA-N 369.016 4.257 0 1 FIAF CC[C@H]([C@H](O)c1ccc(O)c(OC)c1)[C@H](CC)Cc1ccc(O)c(OC)c1 96014367 BBZFADZHJBEXSO-ULYRPOKDSA-N 374.477 4.444 0 1 FIAF biogenic COc1ccccc1C1(O)C[C@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185142 JPSSDJSKUUWHMS-QZTJIDSGSA-N 362.473 4.191 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H]2CC[C@H](O2)[C@H]1C/C=C\CCCC(=O)O 101205752 IWSCITFBDCQRGG-HRJRQMFSSA-N 350.499 4.479 0 1 FIAF COC(=O)[C@]1(/C=C2/c3ccccc3[C@@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 169330295 ASIWMRFKVKKMJP-IYEQXRLZSA-N 362.425 4.125 0 1 FIAF N=C(N)Nc1cccc(Oc2ccc(NC(=N)Nc3ccccc3)cc2)c1 169330674 NKAPRKYZNKWONN-UHFFFAOYSA-N 360.421 4.243 0 1 FIAF CC(=O)O[C@H]1/C=C(/C)CC/C=C(\C)[C@@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169365556 CLLDSYFHQCFUQA-IOFWYFOLSA-N 364.526 4.325 0 1 FIAF CC[C@H](C)CC(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@H]1[C@]23C 238768428 VLPYWBWQNXIXGS-YDXATIDFSA-N 360.450 4.123 0 1 FIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)c(F)cc2[nH]1 586973584 PMFZCBRLIHIFKX-SFHVURJKSA-N 357.454 4.121 0 1 FIAF Oc1cccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586984980 JXPFVKLFCDLVIC-QGZVFWFLSA-N 372.266 4.216 0 1 FIAF CCOc1cc(/C=C/c2nc3ccc(OC)nc3[nH]2)ccc1OC(F)F 587130619 NGDCWWNIDZEHRA-VMPITWQZSA-N 361.348 4.137 0 1 FIAF Cn1cccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342509 NYKRUPKYXWKCPU-CTNGQTDRSA-N 351.377 4.144 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1C)O2 587383861 WVOACTOQYOMQEX-INIZCTEOSA-N 351.324 4.491 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416396 AGYBRKXSTDLBIE-KBXCAEBGSA-N 359.219 4.121 0 1 FIAF CCOC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587420083 GHRPYJVYOUFHPC-AUUYWEPGSA-N 372.804 4.014 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1[nH]c(-c4ccccc4)nc1C)[C@@H](C2)C3=O 587437808 KABHHBHZCWUCIP-KSFYIVLOSA-N 360.413 4.057 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1cnn(CC)c1C)(C(C)C)CC2=O 587479113 YQPUBVNRMSSHFZ-OAQYLSRUSA-N 356.466 4.386 0 1 FIAF Nc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccnc1Br 587495707 FNHKBANJQSYYBX-OAHLLOKOSA-N 373.250 4.012 0 1 FIAF COc1ncc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC 587499150 LGDJUTDUVPXPDM-INIZCTEOSA-N 373.836 4.338 0 1 FIAF CC1(C)Cc2nc(O)ccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587521540 BNGAEEWQAGYBIY-HSZRJFAPSA-N 363.457 4.499 0 1 FIAF CC(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601133 FAFWZQSHGRISTR-NZQKXSOJSA-N 374.392 4.472 0 1 FIAF O=C(c1ccccc1-c1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587652301 OQTOKXZVBIZDLF-UHFFFAOYSA-N 360.800 4.405 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2cccc(F)c2)N1 587728962 GFNBTSLWWBZOED-BMLIUANNSA-N 368.221 4.382 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2ccn3C)N1 587760122 XIHLOXRUJLNKIP-ADLMAVQZSA-N 363.274 4.041 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccccc3n2)N1 587779564 UCQSYOHQWFUDCX-XTZNXHDOSA-N 372.241 4.155 0 1 FIAF CCC[C@@H]1C[C@@]2(CCO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587836308 ZWHIBKQGZAANST-XTQGRXLLSA-N 356.279 4.297 0 1 FIAF O[C@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1cccc2ccccc12 653882400 ZDHKZYYYAXUGJL-NHTMILBNSA-N 364.533 4.040 0 1 FIAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(CCCC23CCCC3)N1 962723110 YJTVMGWKVCQWFE-MAUKXSAKSA-N 371.374 4.383 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cccc(C)c1OC(F)F 963643183 ZKHIYIRNOZAOGW-SGTLLEGYSA-N 363.404 4.237 0 1 FIAF CCN(CC)C(=O)c1cc(-c2csc(Nc3ccc(C)cc3)n2)on1 1772578260 GSXCIBUXRGLNCL-UHFFFAOYSA-N 356.451 4.332 0 1 FIAF C[C@@H](C(=O)O)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 6202057 ONHBACUWLNRRHA-YHFKFMBFSA-N 367.445 4.401 0 3 FIAF CSc1ccccc1NC(=O)[C@]1(C)CCN1C(=O)CCC1CCCC1 61929750 ZKCWYUKFCMIDAW-FQEVSTJZSA-N 360.523 4.308 0 3 FIAF O=C1CCc2c(sc3ncnc(Nc4cccc(Br)c4)c23)C1 1655216 ZFINZRABKPXRDG-UHFFFAOYSA-N 374.263 4.255 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc(OCC)c1 4049896 QGWLKPQBZVVIRP-TZIWHRDSSA-N 366.461 4.093 0 1 FIAF CCN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 13523786 KKMBLUZZKPJQGN-UHFFFAOYSA-N 364.424 4.063 0 1 FIAF COc1cc(C[C@@H](C)[C@@H](C)Cc2cc(OC)c(O)c(OC)c2)ccc1O 14646470 GFMUBOWRQZASFJ-KGLIPLIRSA-N 360.450 4.181 0 1 FIAF biogenic Cn1cc([C@@H](CN)c2cncc(/C=C/c3ccncc3)c2)c2ccccc21 14957723 SJDGHXXYFFXVPE-BXKJMJEDSA-N 354.457 4.229 0 1 FIAF COc1cc2[nH]c(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)cc2cc1F 40865547 UAPBARAEGJAFRW-NSIKDUERSA-N 356.378 4.350 0 1 FIAF CC1=NN([C@H]2C[C@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)C(=O)C1 58511474 SQRHLGYXTXOMII-WDEREUQCSA-N 365.277 4.101 0 1 FIAF CCN(C)C(=O)c1cccc(-c2ccc3c(c2)CC[C@@H](N2CCCC2)C3)c1 68202085 WWWVPWBHVDSBOF-HSZRJFAPSA-N 362.517 4.399 0 1 FIAF in-vivo COc1cc([C@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H](C)[C@H]2C)ccc1O 86043449 KBIHHHDCLJQNHG-LPCJDBFKSA-N 374.433 4.208 0 1 FIAF in-man CC(=O)OC[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100854086 BLJIZPWSKVXUMY-PGEVAXNDSA-N 366.288 4.423 0 1 FIAF O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1)c1ccc(F)cc1 100946317 VOOMTGMTOGFBQE-NHCUHLMSSA-N 370.443 4.280 0 1 FIAF CN1[C@H]2CC[C@H]1[C@H](OC(=O)C1c3ccccc3CCc3ccccc31)CC2 101229008 SJHRBTYUWMPDTL-YUXAGFNASA-N 361.485 4.086 0 1 FIAF CO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 103348516 CPXIIAKBKJFKOF-DPEHCCBOSA-N 362.838 4.406 0 1 FIAF c1cnc(OCCc2cnc3[nH]c4ccccc4c3c2)c(-c2cncnc2)c1 169338553 IWTRDRGTVNIWAX-UHFFFAOYSA-N 367.412 4.190 0 1 FIAF C1=C[C@H]2[C@@H](c3ccnc(Nc4ccccc4)n3)C(c3ccccc3)=NN2C=C1 169720375 LBVCYKSFXVQSBC-LEWJYISDSA-N 365.440 4.476 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 257442925 IEAUFJOLHRNYMW-WPRDYSQTSA-N 364.526 4.015 0 1 FIAF endogenous,in-man C[C@H]1CCCN([C@H](CCN2CCOCC2)c2ccc(Cl)c(Cl)c2)C1 299825557 YVOMATWVFCSQME-HNAYVOBHSA-N 371.352 4.489 0 1 FIAF OCCCCCCCCCCCc1nc2nc(Br)c[nH]c-2n1 586894519 JPFLWIGAKZRXRL-UHFFFAOYSA-N 369.307 4.113 0 1 FIAF Oc1ccc(C2(c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)CC2)cc1 586896030 GOVIWUARMQCSTH-UHFFFAOYSA-N 369.293 4.398 0 1 FIAF N[C@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1ccccc1Cl 587055499 DKFQMXPGKPBBQZ-LLVKDONJSA-N 368.637 4.360 0 1 FIAF CCN1CCN(c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2F)CC1 587210631 SYNURNDALCBLCE-UHFFFAOYSA-N 361.464 4.281 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3[nH]c4ccc(F)cc4c31)O2 587383775 GIWBBDTXLUGINX-NRFANRHFSA-N 350.393 4.395 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)CN(C)Cc1ccccc1)O2 587387580 QEZZTIWTWIWXEO-FQEVSTJZSA-N 352.478 4.069 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SC(=O)N(C)C)cc1)O2 587410499 OBTJBXKRESLDPZ-QGZVFWFLSA-N 356.447 4.057 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OC(F)(F)F)[C@@H](C2)C3=O 587420738 GYZONCFBNGZABV-YVEFUNNKSA-N 350.292 4.083 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)CC)cc1)CC2=O 587479050 MDLPVBNQTLMHJZ-IBGZPJMESA-N 354.402 4.367 0 1 FIAF Cc1oc2c(c1C(=O)O)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587531524 GZXSCYDMHMWEAG-QFIPXVFZSA-N 366.413 4.362 0 1 FIAF C[C@]1(C(F)(F)C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543576 CMVNZWWXMSMWBB-LRDDRELGSA-N 356.271 4.013 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(O)c(F)c1 587559840 ZRYNVJRSZLPWEU-JXFKEZNVSA-N 370.307 4.079 0 1 FIAF CCCCn1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587582081 NUJXKXQFWSAOMG-WIYYLYMNSA-N 364.401 4.092 0 1 FIAF Cc1ccc2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 587585961 IZVVKWVUKRRBOA-SIKLNZKXSA-N 372.380 4.051 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccnc2F)N1 587738106 KDOGLUJFJWGLOZ-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF CCCCn1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587760070 NWBYUZVEKIGJHU-APPDUMDISA-N 366.278 4.208 0 1 FIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C(C)C 587765739 TXRHWBNQRSBRTD-QGHHPUGFSA-N 366.278 4.298 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c[nH]nc3c2)N1 587789931 BZXXCZSXEYGOHR-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF CC(C)C(=O)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812610 JQGDPCLVHWNKIM-GTNSWQLSSA-N 356.279 4.343 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C=O)cc2)N1 587815455 NBDTYZCROAWGKE-BBATYDOGSA-N 362.242 4.198 0 1 FIAF CC(C)Oc1ccc(OC(C)C)n1-c1cccc(Br)c1N 587937491 SNVKAAOPCUSVNN-UHFFFAOYSA-N 353.260 4.396 0 1 FIAF COc1ccc([C@H](O)[C@@H](C)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587938677 YNZDCXYTKXTCEO-XLKFXECMSA-N 352.221 4.110 0 1 FIAF COC(=O)[C@H]1CC(C)(C)C[C@]12c1ccsc1CCN2Cc1ccco1 962714073 YDHIVMDGIUJCLV-UZLBHIALSA-N 359.491 4.204 0 1 FIAF COc1cc2c(cc1O)[C@]1(CC2)NCCc2c(Cl)cc(Cl)cc21 963108508 OGCSFEAVMROHMY-SFHVURJKSA-N 350.245 4.043 0 1 FIAF Clc1ccc2c(Nc3ccc(CN4CCOCC4)cc3)ccnc2c1 1174448440 TWHQTZNOVATZQF-UHFFFAOYSA-N 353.853 4.464 0 1 FIAF CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)NC(=O)CN 1772586278 NZEKJBWMRJXDTD-QTJNJRLBSA-N 368.562 4.250 0 1 FIAF c1ccc2cc(-c3cnc4sc(=NCc5ccncc5)[nH]n34)ccc2c1 1857595131 WSJAHPVYFXTAIC-UHFFFAOYSA-N 357.442 4.040 0 1 FIAF Cc1cc(OCc2sc(-c3ccccc3)nc2C)ccc1OCC(=O)O 1857602788 ZHRJMGCEKHQMTE-UHFFFAOYSA-N 369.442 4.469 0 1 FIAF O=C(O)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1F 1857631001 HWFHDTGSONIMIP-AWEZNQCLSA-N 356.180 4.078 0 1 FIAF O=C(Nc1ccc(N2CCOCC2)cc1)c1nc2cc(Cl)ccc2s1 1857632389 QDMHNKRBNCYPNQ-UHFFFAOYSA-N 373.865 4.039 0 1 FIAF CC=Cc1ccc(O[C@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 2356424011 NUDWCJJMQATDKB-SPLOXXLWSA-N 358.434 4.246 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1C(C)(C)[C@H](O)CC[C@]12C 2356599641 HKWVZPQQUZNBOF-CQQLTZKSSA-N 350.499 4.011 0 1 FIAF CC(C)(C)c1ccc2c(c1)C[C@@H](CN1CCN(c3ccccc3)CC1)O2 2382238069 DJJYMRGYBSNEHG-NRFANRHFSA-N 350.506 4.110 0 1 FIAF Cc1cccc(C)c1NC(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)C(C)(C)C)C2 101872350 JRRCTZAOOQWEHC-ROUUACIJSA-N 371.525 4.383 0 3 FIAF NS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(Cl)c3)CCC2)cc1 600722 IRKVLCOCTJNMRX-UHFFFAOYSA-N 351.830 4.221 0 1 FIAF CC(C)(C)c1noc(-c2ccoc2)c1C(=O)NCCc1ccccc1F 776211 RKUQLHBFTJXCOJ-UHFFFAOYSA-N 356.397 4.344 0 1 FIAF CN(C)C12CCNC([C@H](c3ccc(F)cc3)C1)[C@H](c1ccc(F)cc1)C2 40423206 SQLVXEXTWOYNGQ-PHZLKFDYSA-N 356.460 4.288 0 1 FIAF CC(C)(C)c1cc(NC(=O)Nc2ccc([C@H](O)c3ccncc3)cc2)no1 40892130 HKBQSXZHQFVGSQ-SFHVURJKSA-N 366.421 4.093 0 1 FIAF COc1cc2c(cc1OC)C(=O)C[C@H](c1ccc(N3CCCCC3)cc1)O2 45391298 BCARUKUOTJIFBF-LJQANCHMSA-N 367.445 4.401 0 1 FIAF CCCCCNc1ncnc2c1nc(CC(C)(C)C)n2C[C@H]1CCCO1 82186943 NOMUMFYSSOBJAX-OAHLLOKOSA-N 359.518 4.196 0 1 FIAF Cc1cccc(NC(=O)c2nc(C)n(-c3ccc(C(F)(F)F)cc3)c2C)n1 95601543 COWWXPQCHYUANA-UHFFFAOYSA-N 374.366 4.464 0 1 FIAF CN(C(=O)c1ccoc1)c1ccc(Cl)c(-c2nc3ncccc3o2)c1 96914411 JXSRWOIUHHQLTJ-UHFFFAOYSA-N 353.765 4.413 0 1 FIAF CCN(CC)CCOc1nc2c(-c3ccccc3)cnn2c2ccccc12 96933148 CDZYKWGAOFBFAH-UHFFFAOYSA-N 360.461 4.270 0 1 FIAF Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)c4ccco4)cn3)ccc12 98082391 YAGASHIAHLDRBO-UHFFFAOYSA-N 362.341 4.134 0 1 FIAF Oc1cccc2[n+]1[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2ccccc21 100721973 LDIRTRYGOHSAHW-UNMCSNQZSA-O 356.401 4.290 0 1 FIAF O=C1[C@H]2[C@@H]3S[C@H](c4cc5ccccc5cc43)[C@@H]2C(=O)N1c1ccccc1 107171539 FKHRJQRQRDBPQA-UAFMIMERSA-N 357.434 4.488 0 1 FIAF O=C(OC[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1)c1ccccc1 169359708 SPPHJQRBMCMDGZ-LXPQLBKSSA-N 365.498 4.471 0 1 FIAF C=C/C(C)=C\C[C@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C 238754157 IEAUFJOLHRNYMW-VMXWTMOCSA-N 364.526 4.015 0 1 FIAF Cc1nc2ccc(O)c3c2c(c1CCCCC(=O)O)-c1ccccc1C3=O 586990966 PEYXVUDDTCOEKO-UHFFFAOYSA-N 361.397 4.258 0 1 FIAF Oc1nc2cc3nc(-c4coc(-c5ccccc5Cl)n4)[nH]c3cc2[nH]1 587060348 CAHDMLGMULZUPQ-UHFFFAOYSA-N 351.753 4.120 0 1 FIAF COC(=O)[C@H]1CCCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587106611 JXZUDRPVMVXAAD-ZDUSSCGKSA-N 357.409 4.114 0 1 FIAF Cc1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2c1 587116897 DTCSMNRTODCMCK-UHFFFAOYSA-N 359.149 4.053 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(-c3ccncc3)nc1C)O2 587412972 KTLIXSVQMHEPNW-MRXNPFEDSA-N 351.431 4.111 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCC[C@@H](C(=O)OCC)C1)CC2=O 587478227 IPUBZCIAYHPMFT-KSMMKXTCSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(O)[nH]c3ccc(OC)cc13)CC2=O 587482766 KCWGLBOALPNRQK-SFHVURJKSA-N 367.401 4.247 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ncc(C)cc13)CC2=O 587483822 MEZUVGUXAAMYKR-NRFANRHFSA-N 350.418 4.410 0 1 FIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(Cl)ccc12 587505212 ZBJOEMYPRQNBHU-FQEVSTJZSA-N 353.805 4.032 0 1 FIAF C[C@@]1(c2c(F)c[nH]c3nccc2-3)CC(=O)c2ccc3c(c2O1)CCCC3 587508273 OULQJYYTBMHGOT-NRFANRHFSA-N 350.393 4.413 0 1 FIAF O=C(O)CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520551 FHBAVXBCTQGMHZ-HXUWFJFHSA-N 366.413 4.125 0 1 FIAF CC(=O)Nc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2CC(=O)O)cc1 587627261 RCJAVGOWMHWXQM-UHFFFAOYSA-N 356.809 4.382 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cl)c2N)N1 587695941 SVBXTMCDOQGZJH-BCTVWOGZSA-N 369.665 4.447 0 1 FIAF CC/C(C)=C(\N)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587746767 HWODNGYXUOKXIU-ONZQWPQYSA-N 355.295 4.370 0 1 FIAF Cc1ccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc2c1 587772180 DTZWBXGARMGNSG-ZMZPIMSZSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3n[nH]cc3c2)N1 587799783 YLVAWEOPHWNGKY-XYZCENFISA-N 360.230 4.088 0 1 FIAF CC(C)C(=O)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812611 JQGDPCLVHWNKIM-PIGZYNQJSA-N 356.279 4.343 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CC(C)(C)C2)N1 587823760 RKFGEAZJRXHXRD-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF CC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587835995 ZDPCCPAPEHCAHS-ADLMAVQZSA-N 364.258 4.482 0 1 FIAF COc1ccc(Cc2nc3ccc(F)c(Br)c3[nH]2)cc1OC 587926061 HCAPHFBBAORBSL-UHFFFAOYSA-N 365.202 4.073 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]2(Cc1ccncc1)c1cccs1 963257374 JBINQDAYJGMHCA-FQEVSTJZSA-N 370.905 4.437 0 1 FIAF CNc1cc(Oc2ccc(NC(=S)Nc3ccccc3)c(C)c2)ncn1 1772625156 ZKRWTSMKLOMWRM-UHFFFAOYSA-N 365.462 4.428 0 1 FIAF Fc1cc(C(F)(F)F)ccc1/C=C/CNCc1ccc2c(c1)OCO2 1857538451 YBAMXMIBYUUQIB-OWOJBTEDSA-N 353.315 4.376 0 1 FIAF CC(C)=CCC/C(C)=C/CC/C=C/CO[P@@](=O)(O)OP(=O)(O)O 13542325 AFSHNJXUHHFZPQ-XOBXVUKQSA-N 368.303 4.242 0 1 FIAF in-vitro CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CN)cc23)C1(C)C 14975860 IRTBNEISJSBZBS-UHFFFAOYSA-N 368.521 4.392 0 1 FIAF COc1ccc(C[C@H]2CCCc3c(C=O)nn(-c4ccc(F)cc4)c32)cc1 26574572 FRJPJBMILQXBLD-MRXNPFEDSA-N 364.420 4.495 0 1 FIAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2cc(C)cc(C)c32)cc1OC 26659814 WNGFUYSKMQCFSG-SFHVURJKSA-N 350.462 4.231 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 29338485 IWSCITFBDCQRGG-OMFCSLQFSA-N 350.499 4.479 0 1 FIAF CN1[C@@H]2CC[C@H](OC(=O)C3c4ccccc4CCc4ccccc43)[C@H]1CC2 29473807 SJHRBTYUWMPDTL-BWAGFHJFSA-N 361.485 4.086 0 1 FIAF C1=C(c2ccc(CCN3CCC3)cc2)[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 36289132 IZMCDSYPUGPXLN-ILBGXUMGSA-N 358.529 4.470 0 1 FIAF CC(C)(CO)CCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1 63539787 NIUJTENHSPPCKO-UHFFFAOYSA-N 358.873 4.489 0 1 FIAF CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3ccccc3F)n2)C1 82068768 HOKXGYIJUBDBTN-XOBRGWDASA-N 359.445 4.397 0 1 FIAF COc1ccc(-c2csc(N)c2C(=O)OCc2ccccc2)cc1OC 96929331 DXFCCKZJJXVRFH-UHFFFAOYSA-N 369.442 4.372 0 1 FIAF COP(=O)(OC)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 103210597 QZPMGNLLWAYTGW-RKDXNWHRSA-N 371.153 4.136 0 1 FIAF CN(C)C(=O)NCCCN1c2ccccc2CCc2ccc(Cl)cc21 205534494 KIGZXAJRTQPDDB-UHFFFAOYSA-N 357.885 4.238 0 1 FIAF CC(C)(C)NC(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224804072 CRZCRPZBCZPHOA-UHFFFAOYSA-N 364.424 4.060 0 1 FIAF Cc1c(Br)ccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c12 586882467 URIHTVLCIVPQFS-TWGQIWQCSA-N 357.207 4.399 0 1 FIAF Cc1cc(Br)ccc1OCc1nc2cc(Cl)ncc2[nH]1 586981846 VEAWNOMEMWTNDK-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF Fc1c(F)c(F)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1F 587075003 DBMCEEVYJYMENG-UHFFFAOYSA-N 367.693 4.020 0 1 FIAF Cc1c(Br)ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 587087085 AUAAFHBDPIFAGL-VIFPVBQESA-N 356.214 4.384 0 1 FIAF Fc1ccc2[nH]cc(Cc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2c1 587174292 GLQNPHVOQKAWRW-UHFFFAOYSA-N 369.709 4.188 0 1 FIAF CCOC(=O)Cc1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2c1 587201129 GWIRPUFLUSNZRV-UHFFFAOYSA-N 367.449 4.024 0 1 FIAF CCc1ccccc1NC(=O)c1nc2cc(F)c(Br)cc2[nH]1 587240635 HAHPWGAQGKNTRW-UHFFFAOYSA-N 362.202 4.279 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccc(O)cc3)n1)O2 587412721 KFJDMJUAXKMDPH-KRWDZBQOSA-N 352.415 4.113 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(C(C)(C)C)c1)[C@@H](C2)C3=O 587445428 YVFMEICSJFQVDY-YCRPNKLZSA-N 352.430 4.490 0 1 FIAF C[C@@]1(c2ccc(OC[C@H]3CO3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587536254 SUJKLAFZOVIZAJ-MBSDFSHPSA-N 364.441 4.224 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C2CC2)s1 587615674 XLXXIRCEHXYLOU-LPHOPBHVSA-N 365.410 4.429 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc(F)c1F 587659190 YTHWHOJXBLJNMQ-UHFFFAOYSA-N 352.315 4.470 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)nc2)N1 587708683 ZCKKOMOLDYNRBO-FVMDXXJSSA-N 369.665 4.434 0 1 FIAF CCn1c(C)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587755317 OSNDZGDHVCXFQJ-DYZYQPBXSA-N 351.263 4.342 0 1 FIAF CC(C)Cn1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587763628 KQEHFAUJBYYSDL-APPDUMDISA-N 366.278 4.064 0 1 FIAF COc1cc2c(cc1OC)[C@]1(CCCc3cc(C)ccc31)N(C)[C@H](C)C2 962621001 ATRDUYSQXVSXNV-WAIKUNEKSA-N 351.490 4.469 0 1 FIAF COc1ccc2c(c1)[C@@H](c1cc(C)nn1C)N(Cc1ccc(F)cc1)CC2 963301054 KMJUGLGLWQYPLJ-QFIPXVFZSA-N 365.452 4.024 0 1 FIAF COc1cc(C(=O)Nc2nnc(C3CCCCC3)o2)cc(C(F)(F)F)c1 1857551677 PYUNGAFBELDMDB-UHFFFAOYSA-N 369.343 4.397 0 1 FIAF O=C(c1ccccc1)N1CCC([C@@H]2c3c(F)cccc3-c3cncn32)CC1 1857617888 JEUACNXAOCALLL-OAQYLSRUSA-N 361.420 4.144 0 1 FIAF O=C(Nc1c(C(=O)O)[nH]c2ccc(F)cc12)c1cccc(C(F)(F)F)c1 2320598 SXMVMQGTBJCCHT-UHFFFAOYSA-N 366.270 4.276 0 3 FIAF CCCCc1cn(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)nn1 1911578200 ZSOXULDHZMCHLM-UHFFFAOYSA-N 353.401 4.393 0 1 FIAF O=C1CCc2cc(-n3cnnc3)ccc2N1Cc1ccc(Cl)cc1Cl 103245483 LQVAENGSPCEAIL-UHFFFAOYSA-N 373.243 4.054 0 1 FIAF c1ccc2c(c1)[C@H]1CC(c3ccncc3)(c3ccncc3)[C@@H]2c2cccc[n+]21 26637133 SKTSCYWZNYDPSU-RPWUZVMVSA-N 362.456 4.189 0 1 FIAF O=C1NC[C@H](C2CCC(c3ccccc3)CC2)N1c1ccc2[nH]cnc2c1 116196111 XPBIYIWYDFOLML-MYKUNDNFSA-N 360.461 4.435 0 1 FIAF CCOC(=O)/C=C1/CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26394158 SLLCGKGKUIUVBU-ONFZYVHCSA-N 371.521 4.465 0 1 FIAF CCOC(=O)[C@]1(C)CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 61903117 OYIVYZFQTTVYCF-HSZRJFAPSA-N 365.473 4.010 0 3 FIAF COc1ccc(CCNc2cc(-c3ccc(C)s3)nc(OC)n2)cc1 66101003 HAWMPRDKLCDHIP-UHFFFAOYSA-N 355.463 4.185 0 1 FIAF CO[C@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 27986800 DRRFJWRBSWXNFW-ANULTFPQSA-N 373.443 4.321 0 1 FIAF C[C@H]1CN(CCCC(=O)c2ccc(F)cc2)CC[C@@]1(O)c1ccccc1 29557804 JKXPWDUACRNDOH-JTSKRJEESA-N 355.453 4.018 0 1 FIAF COc1cc2c(=O)c(-c3cc(Cl)c(O)c(Cl)c3)coc2cc1O 2356858766 TWJOLQXAFYTUEB-UHFFFAOYSA-N 353.157 4.187 0 1 FIAF CCCc1cc(OC(F)(F)F)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2 64559799 AEIGTKUKBWYPFQ-GFCCVEGCSA-N 370.245 4.329 0 1 FIAF C[C@]1(C(=O)NCc2cccc3ccccc23)CCN1CCc1ccccc1 61928014 ZOKSURHJVOTAOV-XMMPIXPASA-N 358.485 4.163 0 3 FIAF COc1cccc(Cn2c(C(C)(C)N)nc3cc(C(F)(F)F)ccc32)c1 72118062 FTPIOLWKSQQPAZ-UHFFFAOYSA-N 363.383 4.306 0 1 FIAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@H]1C(C)(C)CCC[C@@]1(O)CO)C=C2 14708652 VQUOAESRDYPVEX-ILWGZMRPSA-N 360.494 4.195 0 1 FIAF biogenic CC(=O)OC/C(C)=C\Cc1cc(/C=C/C(=O)O)cc(CC=C(C)C)c1O 238781902 LEMIBGJUUNCMCQ-RIIBEOAISA-N 358.434 4.051 0 1 FIAF Clc1ccc2[nH]c(CCC[C@H]3NC[C@H]4C[C@H]3CN3CCCC[C@@H]43)nc2c1 299826982 FKJXPOBOQROHGP-MJEZEWASSA-N 372.944 4.001 0 1 FIAF CC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3c(n2)C(F)(F)CC3)CC1 299869522 UVYDUWGGZVXKRB-UHFFFAOYSA-N 374.439 4.095 0 1 FIAF Nc1ccc2c(c1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578225 NGDZXPALOFHRML-REWPJTCUSA-N 373.408 4.168 0 1 FIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)c(F)cc2[nH]1 587117007 PIZDIJRNYQHUMK-UHFFFAOYSA-N 353.106 4.428 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)co1)CC2=O 587457674 AGSRUGNCSXFVET-OAHLLOKOSA-N 351.196 4.407 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587951956 KMZGAAVETADZRN-CDXJDZJCSA-N 370.541 4.361 0 1 FIAF C[C@@]1(c2ccc(C=O)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615302 WATSPUNZGXYVIO-PXNSSMCTSA-N 366.394 4.143 0 1 FIAF COc1ccc(-c2ccncc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587396191 XOIXMROCXKWNFU-NRFANRHFSA-N 360.413 4.354 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cnn(C)c3)cc1)CC2=O 587475069 IXNZGQZJTNIQNM-OAQYLSRUSA-N 362.429 4.452 0 1 FIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cnccc3[nH]2)c1 587147749 YZKUVOPZEFNWKV-UHFFFAOYSA-N 363.348 4.138 0 1 FIAF O=C(c1cccc(F)c1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587638600 OITSMQSTKRRCOB-UHFFFAOYSA-N 351.255 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](CCc1cnc(OC)cc1C)CC2=O 587483926 FJVOCZXXXOZXSI-OAHLLOKOSA-N 355.434 4.023 0 1 FIAF CC(C)(C)OC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@@H]2C1)CC5 587212300 NAZBBARJADAOJJ-GOEBONIOSA-N 350.462 4.230 0 1 FIAF COc1ccc(C[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587809018 PINNXRAWLICXSJ-VOJFVSQTSA-N 364.258 4.415 0 1 FIAF Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1C 587850645 DUXJNIICTWGYFS-JKYUHCHBSA-N 355.276 4.285 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)cc1O 587871198 PZCWSHQXLWQITQ-UHFFFAOYSA-N 360.772 4.135 0 1 FIAF Cc1ccnc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587802376 LWIUOVDJQVRSDT-BTDLBPIBSA-N 374.257 4.397 0 1 FIAF Fc1ccc(-c2cnn(Cc3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)cc1 587165158 LAMRWHMWCQEYSW-UHFFFAOYSA-N 364.277 4.170 0 1 FIAF Cc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850974 GZJDKEJKJQWUMT-BCTVWOGZSA-N 369.303 4.459 0 1 FIAF O=C(O)CSc1ncccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 586967190 QDYCJJUXSHLCAU-UHFFFAOYSA-N 354.218 4.108 0 1 FIAF Cc1cc2c(cc1O)[C@H](c1ccc(C3CCCC3)cc1)N[C@H](C(=O)O)C2 963528582 UMCAYTYRZWBSRC-FPOVZHCZSA-N 351.446 4.047 0 1 FIAF COc1ccc(C(=O)Nc2n[nH]c3cc(-c4ccc(O)cc4)ccc23)cc1 1772581301 YROYPHDCBJXIDA-UHFFFAOYSA-N 359.385 4.196 0 1 FIAF Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(O)cc2)cnc1N 1857556644 XRHGELLZAQMYHA-UHFFFAOYSA-N 353.809 4.251 0 1 FIAF CCCC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 2456372 UCHOISFDAIFAAD-LJQANCHMSA-N 360.816 4.149 0 1 FIAF CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1 3814246 FMCFMYIXNIXNBI-UHFFFAOYSA-N 354.469 4.481 0 1 FIAF C[C@H](C(=O)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 6030241 SXZYCRORGALMIH-IFQGXVKQSA-N 361.526 4.187 0 1 FIAF CCC[C@H]1C(C(=O)OCCSCC)=C(C)N=C(C)/C1=C(/O)OCC 100038090 AVYYRXCEXSLEFW-DHSYKJLNSA-N 355.500 4.254 0 1 FIAF Nc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)ncn1 118745378 GYBXQCLWSUJTMN-UHFFFAOYSA-N 372.219 4.048 0 1 FIAF Cc1nc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)no1 35942368 GQSYOZRSKJHINW-UHFFFAOYSA-N 362.414 4.421 0 1 FIAF c1cc(-c2ccc3[nH]cc(-c4ccc(N5CCNCC5)cc4)c3c2)ccn1 73129810 TTXXPAUATCXHND-UHFFFAOYSA-N 354.457 4.307 0 1 FIAF Nc1ccccc1NC(=O)/C=C/c1ccc(NCc2ccc(F)cc2)nc1 36338690 WHRSRCHNMZUYDV-XYOKQWHBSA-N 362.408 4.067 0 1 FIAF Cc1ccc([C@@H](O)CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 73138034 AMNZZXVPVQXDDQ-MPNRVQBSSA-N 350.245 4.165 0 1 FIAF CCCCCN1CCCC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O 199409948 YANXTOXQTHDUGG-INIZCTEOSA-N 370.415 4.007 0 3 FIAF N[C@@H]1CCN(Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)C1 45324011 SNTTXYMROKUTGW-OAQYLSRUSA-N 368.484 4.430 0 1 FIAF O=c1c2ccccc2n2c(-c3ccccc3Cl)nnc2n1-c1ccccc1 40395535 LAIYSKBJRRNKNK-UHFFFAOYSA-N 372.815 4.354 0 1 FIAF CCOC(=O)c1ccc(C(F)(F)F)nc1N(C)c1ccc(OC)cc1 95593145 HSWKWCSLILDQEH-UHFFFAOYSA-N 354.328 4.054 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)/C=C/[C@H](C)C[C@@H](O)C3=C(C)C[C@@H](O3)[C@@H]12 96906092 JTCFLJZDNRVMOS-BXRZPEFFSA-N 362.510 4.380 0 1 FIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587052753 LCMXHNHIEVLCCV-LLVKDONJSA-N 356.640 4.471 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCOc4cc(C)c(Cl)c(C)c41)[C@@H](C2)C3=O 587420418 PDCJURBWZGMSGV-QKKBWIMNSA-N 370.832 4.391 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4ccnc4)c(Cl)c1)[C@@H](C2)C3=O 587423075 RWEWLLWOYITSBI-VBKZILBWSA-N 366.804 4.023 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2C=O)N1 587846674 VJYHFDHJHCDPIF-XLKFXECMSA-N 354.244 4.086 0 1 FIAF CC[C@H](C)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587402259 WKAFWAHKIAYEEM-ORAYPTAESA-N 355.434 4.470 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3c(C)ccc(C)c3[nH]2)cc1 586970103 GAINRRMTNPSUJC-UHFFFAOYSA-N 353.491 4.403 0 1 FIAF O=S(=O)(/C=C/c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccccc1 586924375 PHTJLELJLHWZHC-VOTSOKGWSA-N 370.327 4.165 0 1 FIAF C[C@]1(CC(=O)Nc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510831 XBJANSXAHSYNTB-JOCHJYFZSA-N 367.420 4.457 0 1 FIAF Cc1nc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1C 587850450 DULXQDYWJICYBV-ZKANADHPSA-N 369.303 4.459 0 1 FIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccccc1C(F)(F)F 587637459 JMHLFYQSPFKSEN-UHFFFAOYSA-N 362.307 4.446 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(F)c2)N1 587729438 GXQKDLUYHWAASV-PWJLMRLQSA-N 354.194 4.057 0 1 FIAF Fc1ccc2[nH]c(-c3ccc(Br)o3)nc2c1Br 587008375 VGHIDQFYPWZKIG-UHFFFAOYSA-N 359.980 4.487 0 1 FIAF N[C@H]1CC[C@@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587247271 XMXCWZCVKWFOOC-JSGCOSHPSA-N 374.366 4.039 0 1 FIAF COc1ccc([C@@H](O)[C@H](C)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587938211 ULCJHKWSNKJHEB-RTHLEPHNSA-N 352.221 4.110 0 1 FIAF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O 587521636 DRQNJHZPJBAWFA-FQEVSTJZSA-N 366.413 4.369 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncn(C)c3c2)N1 587759494 UGEGGXZIYGXGBV-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(C(F)F)c1 587556154 NTRXRHUHRHMPNG-APWZRJJASA-N 369.323 4.428 0 1 FIAF Cc1ccc([C@@]2(Cc3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587393782 MFTWLSJYGUKXOV-HSZRJFAPSA-N 358.441 4.384 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3ccccc32)N1 587841226 MCXJOFZSHYHNHE-ADLMAVQZSA-N 360.226 4.272 0 1 FIAF Cc1c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075151 CQEJGLLYCNJTRP-KRWDZBQOSA-N 366.812 4.101 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N)ccc2F)N1 587717748 LOWNOEMYYIWWGV-XYZCENFISA-N 367.237 4.107 0 1 FIAF CC(C)[C@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587818648 RSFVNZOJKZYUPS-SUFBMKPHSA-N 368.290 4.343 0 1 FIAF COc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)ccc1OC(C)C 587874270 ZUKLCOGWSAGTNE-UHFFFAOYSA-N 368.364 4.279 0 1 FIAF COc1ccc2c(c1)[C@]1(N[C@@H]3CC[C@H]23)c2ccccc2CC12CCOCC2 962996245 OIPKULRZGIENBW-ZFJSRUIDSA-N 361.485 4.141 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(C1(c3ccccc3)CCCC1)NCC2 962926352 NTNADIZOZBQFBO-HSZRJFAPSA-N 362.517 4.261 0 1 FIAF COc1ccc(-c2cc(F)cc([C@@H](CC(=O)O)c3ncco3)c2)c(F)c1 1772590838 WGGNWXJNHVFXSM-MRXNPFEDSA-N 359.328 4.235 0 1 FIAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(F)cc1)[C@H]2COc1ccc2c(c1)OCO2 13776988 CUWDCKZGAWYXEX-AFYVEPGGSA-N 369.436 4.200 0 1 FIAF Cc1n[nH]c2c1[C@@H](c1ccc(N(C)C)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 18205529 LNJMWGJUEHFBOY-MOPGFXCFSA-N 350.466 4.007 0 1 FIAF CCCN(CC)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 205446617 IZRAZUZULRPRLN-UHFFFAOYSA-N 353.397 4.370 0 1 FIAF O=C(O)CCOc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 219281035 VYYSQVAODJHBFE-UHFFFAOYSA-N 359.765 4.040 0 1 FIAF CC[C@]1(c2ccccc2)CCN(c2ccc(-c3cnco3)c(OC)c2)C1=O 584629323 DLQPFTRRAVDGON-JOCHJYFZSA-N 362.429 4.435 0 1 FIAF C[C@@H](c1ccccc1)N1CN(C(=O)OCc2ccccc2)C(C)(C)CC1=O 1638210 DSSTVSKHEDQUCZ-KRWDZBQOSA-N 366.461 4.355 0 1 FIAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)NCc2ccccc2)C1 13579473 JVZFUFCDIAOQJH-AZUAARDMSA-N 356.897 4.082 0 1 FIAF COc1cc(-c2coc3cc(O)ccc3c2=O)cc2c1OC(C)(C)C=C2 14658660 OKVVENANSYGXCE-UHFFFAOYSA-N 350.370 4.358 0 1 FIAF biogenic CN1CCN(C[C@H]2C[C@@H]3c4ccccc4Sc4ccccc4[C@H]3O2)CC1 26662724 DYRUSALPYKCZDY-ZWDAVXSWSA-N 366.530 4.012 0 1 FIAF COc1cc(/C=C/c2cn(C(C)=O)c3ccccc23)cc(OC)c1OC 28102594 ARMUZGHXKWNJDX-MDZDMXLPSA-N 351.402 4.498 0 1 FIAF CCC[S@](=O)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1 28219336 OLUQMEFGVCJLPL-AREMUKBSSA-N 370.474 4.279 0 1 FIAF CC(C)CCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1 28825039 CLFVNIZXZRFDHC-UHFFFAOYSA-N 367.493 4.157 0 1 FIAF COC(=O)[C@H](C)Oc1ccc(Oc2ncc3cc(Cl)ccc3n2)cc1 29242841 JZRDXVLGSMNBSY-NSHDSACASA-N 358.781 4.016 0 1 FIAF C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)c1ccc[nH]1 40676715 XGBWNEKVHQUBJF-XEEUVWLMSA-N 368.521 4.335 0 1 FIAF CCN(CC)c1cccc(-c2coc3cc(OC)c(OC)cc3c2=O)c1 45350033 DMIOKPQQCBKUHG-UHFFFAOYSA-N 353.418 4.323 0 1 FIAF COc1cc2c(cc1OC)CN(CCCCn1ccc3ccccc31)CC2 72117123 HDRNEAMIVJIRBJ-UHFFFAOYSA-N 364.489 4.497 0 1 FIAF CCc1c(Sc2ccccc2)n(OC2CCCCC2)c(=S)[nH]c1=O 98085567 MJRAXKHVOXMLRR-UHFFFAOYSA-N 362.520 4.381 0 1 FIAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccccc2Cl)cc1 100109136 PDVFRLLRNBRKOI-DZQCNVRRSA-N 367.880 4.345 0 1 FIAF c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3NCCN2CCCCC2)cc1 103148613 NKOAUYSQEGOTRU-CKMQFYITSA-N 352.566 4.500 0 1 FIAF CO[C@@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C(=O)[C@@H](C)[C@H]2C(C)(C)CCC[C@@]23C)CO1 238780363 UPPVCQPPDGQFKZ-VTYDIPRLSA-N 364.526 4.355 0 1 FIAF Cc1ccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2n1 587063584 PXFZPJRQDCEYQW-UHFFFAOYSA-N 354.797 4.462 0 1 FIAF N[C@H](N=O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074822 CVOLDNPFXYHMJE-QZTJIDSGSA-N 369.856 4.277 0 1 FIAF COC(=O)[C@H]1CCc2nc3c(C)ccc4c3c(c2CC1)-c1ccccc1C4=O 587098308 QGBUSGYOBMYNHS-CQSZACIVSA-N 371.436 4.423 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc12 587120912 ZOHOTPOZMOQIKZ-UHFFFAOYSA-N 351.719 4.482 0 1 FIAF OCc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587138168 YUDXDZSBJLSSFW-UHFFFAOYSA-N 355.594 4.277 0 1 FIAF COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)OC1(C)C)[C@@H](C2)C3=O 587455034 HTFSFCTUKKEEJS-SGXKBVARSA-N 350.414 4.122 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)F)c(O)c1)CC2=O 587468599 YOIXQMNZXHMVLR-KRWDZBQOSA-N 364.344 4.358 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)O)c(C)cc1C)CC2=O 587491359 UIRPJEFHNCFZPH-LJQANCHMSA-N 354.402 4.366 0 1 FIAF CCOC(=O)c1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587522811 HWEFDZUDKOTFJK-FQEVSTJZSA-N 366.413 4.154 0 1 FIAF O=C1C[C@](c2ccccc2)([C@@H]2C[C@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587528968 HELJVXWCWOVRDX-PWHSHALESA-N 362.425 4.147 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1F 587568860 OGWLAZDJVMJJKN-OXQOHEQNSA-N 354.308 4.373 0 1 FIAF COc1ccc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596079 UKMJAGSARBEQIB-SIKLNZKXSA-N 362.381 4.412 0 1 FIAF CCc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615034 VBCWNQLFEMNAHP-QAPCUYQASA-N 353.399 4.114 0 1 FIAF CNc1c(-c2ccc(O)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623599 XPZRYMQUOXBSOH-UHFFFAOYSA-N 357.211 4.221 0 1 FIAF CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587631427 LVEVUGFGNXSVRR-UHFFFAOYSA-N 360.772 4.129 0 1 FIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587765132 BKYFWAGEXPVFAN-VOJFVSQTSA-N 363.274 4.398 0 1 FIAF Brc1ccc2c(c1)[C@H](c1ccc3snnc3c1)NC1(CC1)C2 961610289 BHSUBIJLBUWXKK-INIZCTEOSA-N 372.291 4.222 0 1 FIAF C[C@]1([C@H](N)Cc2ccccc2)c2ccsc2CCN1Cc1ccco1 962705923 GGBSXGOOBHGJLG-NHCUHLMSSA-N 352.503 4.185 0 1 FIAF Cc1ccc2cc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)ccc2n1 962759512 BTHQCIIOKVGJQX-OALUTQOASA-N 370.374 4.278 0 1 FIAF Cc1ccnc2c1CCN[C@@H]2c1c(F)cc(OCc2ccccc2)cc1F 963066286 GGAUXRWPCPIQCD-JOCHJYFZSA-N 366.411 4.482 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2C(C)=O 1857536569 ZJNYSXYHIAEESM-GXYAOEHPSA-N 374.521 4.059 0 1 FIAF CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3CCC3)C2)CC1 1857559175 WKYUBQRUXDYGNX-UHFFFAOYSA-N 354.538 4.426 0 1 FIAF Oc1nc2ccc(Cl)cc2cc1CNc1ccc(N2CCOCC2)cc1 1857586437 OGSAJZMRMAVBBD-UHFFFAOYSA-N 369.852 4.043 0 1 FIAF CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C 1911575339 VCKYGCFEOUOUBZ-UHFFFAOYSA-N 355.467 4.005 0 1 FIAF COc1cc(C[C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@H](C)[C@@H]2C)ccc1O 2356638523 HXXQPTLVFPWDAK-JSNIETQYSA-N 356.418 4.084 0 1 FIAF O=C(NCC1CC1)[C@@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 13829090 LPZYNTVGLHCWNE-VPEZWSJASA-N 367.411 4.183 0 3 FIAF CC(=O)[C@]1(Cc2ccccc2C)C(=O)Oc2ccc3ccccc3c2N1C 36387728 RIKPDTCVHLRXMI-HSZRJFAPSA-N 359.425 4.074 0 3 FIAF O=C(Nc1ccccc1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61927791 LUUQMSBSLSQISD-SFHVURJKSA-N 350.805 4.344 0 3 FIAF Cc1cc(=O)c(Oc2ccccc2C)c(-c2ccc(S(C)(=O)=O)cc2)o1 592873 QFGVWVQHHYWJKM-UHFFFAOYSA-N 370.426 4.119 0 1 FIAF O[C@@](Cn1ccnc1)(c1ccc(F)cc1)c1cccc(-c2ccncc2)c1 599403 NUNXWFKSFWEVCT-QFIPXVFZSA-N 359.404 4.020 0 1 FIAF CCC[C@@H](C)OC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C 103184216 CXXRRKJBPPIIPN-CQSZACIVSA-N 369.465 4.308 0 1 FIAF CC(=O)Nc1cccc(-c2csc([C@](C)(O)c3cccc(F)c3)n2)c1 61926796 HGCUQQIVSAXFIF-LJQANCHMSA-N 356.422 4.163 0 3 FIAF CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Cl)cc1N 28870424 VGVAYDIHTPWEKS-UHFFFAOYSA-N 354.878 4.483 0 1 FIAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccsc2)O[C@@H]1c1cccnc1 27755773 MNZKTVZKROTVFA-UJRAZXPYSA-N 359.447 4.357 0 1 FIAF O=C(NCc1ccccc1)[C@H](c1ccccc1)N1C(=O)C[C@H]1c1ccccc1 28525048 GMLNMOGSFGZVEE-GMAHTHKFSA-N 370.452 4.018 0 1 FIAF CCOc1ccc(-c2cc(NCc3cc(OC)cc(OC)c3)ncn2)cc1 82160366 YAHAJRQUIXLTGW-UHFFFAOYSA-N 365.433 4.172 0 1 FIAF CN(C(=O)CCn1c(=O)oc2ccc(-c3ccccc3)cc21)c1ccccc1 84688288 PHDZDEJDNAOFKP-UHFFFAOYSA-N 372.424 4.315 0 1 FIAF COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc(F)cc2)n1 82164111 ADEVRBLDAFCCQZ-UHFFFAOYSA-N 356.401 4.003 0 1 FIAF CC[C@@H](NC(=O)c1c(Cl)[nH]c2c1CCCc1ccccc1-2)[C@@H]1CCCN1 145902358 YHKJDVSRCXMZHV-SJORKVTESA-N 371.912 4.084 0 1 FIAF in-vivo FC(F)(F)c1ccc([C@@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1 82230760 IXYYYHHQSPHWJY-KRWDZBQOSA-N 372.346 4.417 0 1 FIAF COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)ccc1O 72106456 HDQFIVFINXJTNV-LSDHHAIUSA-N 374.477 4.484 0 1 FIAF biogenic,in-vitro COC(=O)c1cc2c([nH]c3ccc(NC(=O)c4ccc(C)cc4)cc32)c(C)n1 2382227916 VWFFGBIDESTVBB-UHFFFAOYSA-N 373.412 4.372 0 1 FIAF COc1ccc2nc(-c3ccccc3)c(NCCN3CCCCC3)nc2c1 299856466 IUDOTSQZPDNTIX-UHFFFAOYSA-N 362.477 4.203 0 1 FIAF Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 587774526 WDTZKPQHAWUUSQ-BTDLBPIBSA-N 374.257 4.168 0 1 FIAF Cc1c(F)ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587126460 XETKNZRKXJMTNG-MADCSZMMSA-N 353.323 4.181 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccccc1F 587569618 RMCZFYXIRFUMCJ-ICSRJNTNSA-N 364.372 4.494 0 1 FIAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c[nH]c(=N)[nH]c-2n1 587069617 DRCUHZPTYVPAEK-QEHRABDOSA-N 374.275 4.390 0 1 FIAF CCCn1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587752758 FSJQESNVSDFEIG-APPDUMDISA-N 351.263 4.423 0 1 FIAF Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 587612616 MECYPDLXBHLVOY-OXJNMPFZSA-N 367.426 4.343 0 1 FIAF CC(C)(C)Oc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(N)cc1F 587136282 MKZFTAWNHOVOCK-UHFFFAOYSA-N 368.412 4.013 0 1 FIAF Nc1ccccc1[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587512226 WFIXUGZNBHJWNB-DEOSSOPVSA-N 370.452 4.452 0 1 FIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)c(F)c(F)c3[nH]1)C2 586886918 QXYSZUMOYSENNN-XHNCKOQMSA-N 367.193 4.242 0 1 FIAF Cc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br 587156073 LOIFKTVNDRNMRD-GTNSWQLSSA-N 360.230 4.114 0 1 FIAF CCc1ccc([C@@]2(c3ccc(N)cc3)CC(=O)c3cc(C)cc(N)c3O2)o1 587391406 SZBUYNODKPFSEQ-QFIPXVFZSA-N 362.429 4.224 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1C(F)(F)F)[C@@H](C2)C3=O 587421561 PZEFZIBUXPMKRH-UGSOOPFHSA-N 364.319 4.211 0 1 FIAF CCOC(=O)[C@]12CCCC1=C[C@@]1(C2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962956956 ZCWOSICRZNYGPM-XARZLDAJSA-N 364.489 4.351 0 1 FIAF Fc1ccc2c(c1)[C@@]1(C=CO2)c2ccsc2CCN1Cc1cccnc1 962996937 PQLQEROSTADZOH-OAQYLSRUSA-N 364.445 4.490 0 1 FIAF O=C1N(Cl)c2ccccc2[C@@]12c1ccsc1CCN2Cc1ccco1 962709724 OGYMQUODXHEYFV-LJQANCHMSA-N 370.861 4.143 0 1 FIAF COc1ccc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1Cl 962618202 BQGWJURJQQWPOQ-BLVKFPJESA-N 361.869 4.332 0 1 FIAF O=C(NCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1 13492827 BHDDREQDTGAKAN-UHFFFAOYSA-N 363.200 4.103 0 1 FIAF CSc1cc2c(cc1Br)N(C(=O)Nc1cccnc1)CC2 13779449 VFDSFIDQQPMNEX-UHFFFAOYSA-N 364.268 4.161 0 1 FIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cc2ccccc2[nH]1 167482220 AQMKUCYHSZPXMA-KSSFIOAISA-N 364.445 4.295 0 1 FIAF CCOc1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O 201629991 PMRQPTLNBBJGAS-UHFFFAOYSA-N 360.822 4.068 0 1 FIAF Clc1nc2n(c1Cl)N=C(c1ccccc1)c1cc3c(cc1C2)OCO3 13647804 FMPYQBXGLWRQGA-UHFFFAOYSA-N 372.211 4.124 0 1 FIAF O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCO 13814730 UOVCVQRFGQFTRP-VMPITWQZSA-N 368.285 4.266 0 1 FIAF CC(C)(CO)Cc1cccc(C(=O)c2cccc(CC(C)(C)CO)c2)c1 28463273 LQUDHQJCZHXEKS-UHFFFAOYSA-N 354.490 4.040 0 1 FIAF Brc1ccc(Cn2ccc3nc(-c4ccncc4)nc-3c2)cc1 35015323 UVHCJCVIVUNYBE-UHFFFAOYSA-N 365.234 4.256 0 1 FIAF O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)C1CCCCC1 72101220 BZEOSGXGSVKWMJ-KRWDZBQOSA-N 363.383 4.281 0 1 FIAF O=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccccc1 72122830 RRZLZNRLTQPPBV-UHFFFAOYSA-N 361.426 4.206 0 1 FIAF C[C@H]1CC(=O)N[C@H](c2ccccc2)C/C=C\C[C@@H](c2ccccc2)NC1=O 95662878 ZTKLQSZLDMQVGT-DBMCMQSHSA-N 362.473 4.078 0 1 FIAF CCCCOc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1 116195619 MJJZZJSYZRLDKU-LJQANCHMSA-N 350.422 4.013 0 1 FIAF CC(=O)Oc1ccc2c(c1)[C@@]1(c3ccc(Cl)cc3)CCN(C)[C@@H](C2)C1 169320346 NDMSOPDFFOEYIV-RXVVDRJESA-N 355.865 4.202 0 1 FIAF COc1cc2oc(Cc3ccc(CN4CCCC4)cc3)c(O)c2cc1OC 169720557 FXDZOVUDEYSNOT-UHFFFAOYSA-N 367.445 4.342 0 1 FIAF COc1ccc(C2=NN(c3nc(O)cs3)[C@@H](c3ccc(F)cc3)C2)cc1 169726252 PHXFSWWSQYUKFM-QGZVFWFLSA-N 369.421 4.352 0 1 FIAF O[C@H](c1ccccn1)C1(c2ccc(OC(F)(F)F)cc2)CC(F)(F)C1 205439823 FQHZSWUTWIAWID-CQSZACIVSA-N 359.294 4.381 0 1 FIAF C1=CCNCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC1 254119819 JEMMIJOETMAKME-UHFFFAOYSA-N 358.445 4.316 0 1 FIAF Oc1ccc(-c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)cc1 586899385 VEGRHFLSIBIVES-UHFFFAOYSA-N 367.206 4.107 0 1 FIAF CCc1oc2ccccc2c1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 586903339 JKRMNPNGCRQATN-UHFFFAOYSA-N 372.428 4.294 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4cc(Cl)cnc4[nH]3)n2C)cc1 586964954 GTOSUABKWLGSKU-UHFFFAOYSA-N 370.869 4.008 0 1 FIAF O=C(O)CC[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989570 BQDJEYUQPGAUPG-GFCCVEGCSA-N 373.408 4.437 0 1 FIAF Cc1cc2c(Br)ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)c2o1 587003137 FOWVMPMZWIMFJG-UHFFFAOYSA-N 370.206 4.146 0 1 FIAF Fc1cc(Br)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 587126089 VROMUAZXQWJCHO-UHFFFAOYSA-N 372.144 4.170 0 1 FIAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c(Cl)ncnc2[nH]1 587149896 OFEJTBMMUOAJKO-CQSZACIVSA-N 353.788 4.347 0 1 FIAF O=C(/C=C\c1nc2cc(Br)c(F)cc2[nH]1)Nc1ccccc1 587244113 LFUUSDRWBUWCTQ-SREVYHEPSA-N 360.186 4.116 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(=C/N(C)C)c1ccc(Cl)cc1)O2 587378369 NVKSIUZZLALVTN-SKTWIKFTSA-N 356.853 4.167 0 1 FIAF CCOc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587388935 BUYHFJXSHULRKO-OAQYLSRUSA-N 362.429 4.473 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](/C=C(\C)N(C)C)(c1ccccn1)CC2=O 587471036 YAMGKURQVPOKRA-UVEFMEQMSA-N 366.461 4.066 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cc1OC)CC2=O 587475689 BXMFAXRUZGPMIJ-OAQYLSRUSA-N 356.418 4.243 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(C)cc(=O)oc3c1)CC2=O 587485702 JRRLUUKTUMROGG-LJQANCHMSA-N 364.397 4.466 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(C)cc1)CC2=O 587492972 ZUOCQVKKHLZHKJ-JOCHJYFZSA-N 368.429 4.379 0 1 FIAF CCCCOC(=O)[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523777 POQWTURDJPDIIZ-AVRDEDQJSA-N 356.462 4.413 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)cs1 587610202 FIESUGVZJVEREB-CJNGLKHVSA-N 359.790 4.205 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2F)N1 587724155 DZJKBWBDWWMTPT-ZKANADHPSA-N 354.194 4.057 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nccnc3c2)N1 587778946 PATFYFAPNYCWQK-MLCYQJTMSA-N 372.241 4.155 0 1 FIAF Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587790050 GHGQLYWGAQTVNM-PIGZYNQJSA-N 351.263 4.331 0 1 FIAF CCCC(=O)O[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790190 GIODADNUGGUBAI-AGKHESDQSA-N 372.278 4.069 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c[nH]nc23)N1 587799050 VZTIOEKQHBYLOC-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF COc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806588 KDTQOSJDTBCOHA-BBATYDOGSA-N 364.258 4.395 0 1 FIAF CCC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 587835212 OEENZLOUFBVDLY-MEDUHNTESA-N 356.279 4.370 0 1 FIAF O=C(NC(=O)c1ccccc1F)N[C@@H]1c2ccccc2-c2cc(F)ccc21 653793033 YQKPYPIZRFNFEU-LJQANCHMSA-N 364.351 4.174 0 1 FIAF CC(C)(C)OC(=O)N1CCC12CC1(C2)c2c(F)cccc2C[C@H]2CCCN21 963097236 FWDYXKXZNQLNFG-NYYVNYEXSA-N 372.484 4.215 0 1 FIAF CC1=C[C@H]2O[C@H](CC(=O)O)[C@H]1[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@H]21 2356806245 VPYDKRNAPAGWFD-WOKXIEQYSA-N 362.510 4.024 0 1 FIAF CC1CCN(C(=O)c2cc3c(=O)n(C)c4cc(Cl)ccc4c3s2)CC1 6771796 BDZKPKXSJUIFOR-UHFFFAOYSA-N 374.893 4.279 0 1 FIAF CN(C)c1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 13438252 VMLDMNPGGINIGV-UHFFFAOYSA-N 355.441 4.178 0 1 FIAF COc1cc2nc(C)nc(Nc3cccc(Br)c3)c2cc1OC 13528712 YDJAVBPPDOYWGD-UHFFFAOYSA-N 374.238 4.462 0 1 FIAF Cc1cc(N[C@H](C)C(C)C)n2nc(C)c(-c3cnc(N(C)C)cc3C)c2n1 13583130 FZJJTUZXWPHQFO-OAHLLOKOSA-N 366.513 4.239 0 1 FIAF O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1 13744739 DBLRWERIVACADQ-UHFFFAOYSA-N 369.273 4.182 0 1 FIAF C[C@@H](C(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26394184 GQECVTUOELTXTC-KFAJHVNYSA-N 359.510 4.312 0 1 FIAF COc1cccc(C(=O)N[C@](C)(C(=O)c2ccc(F)c(C)c2)C(C)C)c1C 27525036 QEHNDYIWOVNHGK-QFIPXVFZSA-N 371.452 4.479 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccccc3OC)cc2)C[C@@H]2CC[C@H]1N2C 29482019 CCWOTPZOCKHRAQ-RJJVWVDVSA-N 365.473 4.102 0 1 FIAF CO[P@](C)(=O)OC[C@@]1(C)[C@@H](CO[P@](C)(=O)OC)[C@H]1C=C(C)C 31900645 BSAAHOUPSFVCBI-SXKMVLPPSA-N 354.320 4.177 0 1 FIAF CN(CCN)Cc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 45302458 HTCGLFPULISDBP-UHFFFAOYSA-N 374.463 4.427 0 1 FIAF O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccco2)nc2ccccc12 66114116 DDJUZGVFWXNTJC-UHFFFAOYSA-N 372.340 4.390 0 1 FIAF CCCCCNc1ncnc2c1nc(CC(C)(C)C)n2C[C@@H]1CCCO1 82186936 NOMUMFYSSOBJAX-HNNXBMFYSA-N 359.518 4.196 0 1 FIAF COc1ccc(C(=O)N2CC[C@H](c3c[nH]c4ccc(F)cc34)C2)c(C)c1 84689993 AGNZWBWUEREJBY-AWEZNQCLSA-N 352.409 4.254 0 1 FIAF O=C1c2sc(COc3ccc(F)cc3)nc2CCN1c1ccc(F)cc1 96283922 FUKYFQPZXXJKKS-UHFFFAOYSA-N 372.396 4.203 0 1 FIAF CC[C@@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc(Br)cc1 102051731 IUCOGAQKZSXRAC-YQQAZPJKSA-N 366.299 4.111 0 1 FIAF CCN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3cscc32)CC1 169332524 KBOYKQWURODRDR-UHFFFAOYSA-N 360.914 4.199 0 1 FIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cncc(-c2ccccc2)c1 261104595 HDUHGLFBTMDBMV-FQEVSTJZSA-N 360.413 4.003 0 1 FIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 586891389 QHCNINJSIZNWND-ORAYPTAESA-N 350.397 4.033 0 1 FIAF CC(C)C[C@H](O)c1nc2c(Br)ccc(Br)c2[nH]1 586900995 MFYNHZAYUXXXDH-VIFPVBQESA-N 362.065 4.167 0 1 FIAF Cc1ccc2c(ccc3nc(-c4ccnc(OCC(F)(F)F)c4)[nH]c32)n1 587091555 LAFXOEXLERSYQA-UHFFFAOYSA-N 358.323 4.423 0 1 FIAF CC[C@]1([C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357376 NIWREGZVTXXKKB-XWRIVVANSA-N 356.393 4.076 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)c1cccc(C(F)(F)F)c1)O2 587383300 VWFTZEKQSMVRSC-GOSISDBHSA-N 363.335 4.203 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(F)(F)F)cc1)[C@@H](C2)C3=O 587418882 DQWLCSHFTJSJEB-KSSFIOAISA-N 364.319 4.125 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1-c1ccc(F)cc1)CC2=O 587471734 MTLRSIAVPAKKTG-FQEVSTJZSA-N 366.392 4.376 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(Cc3ccccc3)c1)CC2=O 587474073 AJPZBWANCYLPGB-OAQYLSRUSA-N 362.429 4.296 0 1 FIAF CC[C@H]1CCCCN1C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517102 HCANMBNSWQYXRV-SBUREZEXSA-N 369.505 4.471 0 1 FIAF CCOC(=O)[C@@H]1CC[C@@H](C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521684 DYCINNJROCMCAA-JVJLVOBOSA-N 356.462 4.269 0 1 FIAF C[C@]1(c2ccc(C=O)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615305 WATSPUNZGXYVIO-YLJYHZDGSA-N 366.394 4.143 0 1 FIAF COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C(=O)O)cccc12 587637665 MVGISGPWWRVBGA-UHFFFAOYSA-N 363.291 4.339 0 1 FIAF CC[C@H](C)c1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652591 WBIYECVZAOJDOT-ZDUSSCGKSA-N 370.836 4.283 0 1 FIAF Cc1cccnc1C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587772836 PCFWUNWORVFHKR-SGTLLEGYSA-N 363.274 4.284 0 1 FIAF COCC[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797535 VXBZTVNWXSAQFV-PIGZYNQJSA-N 358.295 4.400 0 1 FIAF COC1(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 587806893 BKXTZDPGWVCDCS-ZBEGNZNMSA-N 356.279 4.297 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@H]2CCCCC2=O)N1 587824215 VOBVHHGZMXMOME-SEDUGSJDSA-N 368.290 4.487 0 1 FIAF CC(=O)SCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587847659 UZZKDIRHXKCUMX-PSLIRLAXSA-N 360.292 4.223 0 1 FIAF CC(C)[C@@H]1C[C@]2(CS1)N[C@H](C)Cc1ccc(F)c(Br)c12 587858300 PZFFRSNRPAPAIU-AKWBHNSASA-N 358.320 4.479 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)cc(O)n1 587860271 PNDJFGOXVLJEAQ-UHFFFAOYSA-N 365.220 4.049 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NC(C)(C)C 587866788 PPRPYIZPZNOOAD-UHFFFAOYSA-N 371.428 4.489 0 1 FIAF COc1ccc(-c2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)cc1OC 587929144 RQYGONCMHOLEIK-UHFFFAOYSA-N 366.808 4.358 0 1 FIAF COc1ccc2c(c1OC)[C@@](C)(c1cc3c(s1)CCC3)N(C)[C@H](C)C2 962628073 GSBGDUHKNIQXGX-LRTDBIEQSA-N 357.519 4.394 0 1 FIAF Cc1ccc([C@@]2(C)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cn1 962633856 GVUVMPAMDNNFGD-ZCYQVOJMSA-N 369.512 4.400 0 1 FIAF CSc1ncc2c(n1)CCc1cnc(Nc3ccc(Cl)cc3)nc1-2 1857653874 PLUWAYFHKWYZES-UHFFFAOYSA-N 355.854 4.151 0 1 FIAF CCCCCC=CC[C@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)N(C)C 2356311277 BBJRTSLPWQUASB-LEWJYISDSA-N 363.542 4.162 0 1 FIAF CC(=O)c1ccc(Nc2nc([C@H](N)COCc3ccccc3)cs2)cc1 61908819 ZNZQFFJSFHZZSV-GOSISDBHSA-N 367.474 4.306 0 3 FIAF COc1ccc(-c2noc(N[C@H]3CCCc4ccccc43)n2)cc1OC 6935925 DFYMNWGOUBDXQU-INIZCTEOSA-N 351.406 4.243 0 1 FIAF c1ccc2c(c1)[C@@H]1CC(c3nccs3)(c3nccs3)[C@@H]2c2cccc[n+]21 100729047 UZNZNYQYGSURPX-ROUUACIJSA-N 374.514 4.312 0 1 FIAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3cccs3)cc2)C1 59276535 FPNYXMREXNRRRR-MAUKXSAKSA-N 355.507 4.063 0 1 FIAF O=C1CCC(c2ccc([C@H]3CNC(=O)N3c3ccc4[nH]cnc4c3)cc2)CC1 116198461 QSIOUMPIIOLJNV-OAQYLSRUSA-N 374.444 4.061 0 1 FIAF COc1cccc(C(=O)N[C@@](C)(C(=O)c2ccc(C)cc2)C(C)C)c1C 27547629 YTOJQFRDTABCDW-JOCHJYFZSA-N 353.462 4.339 0 1 FIAF O=c1[nH]nc(-c2ccnc(NC3CCCC3)c2)n1-c1ccc2ccccc2c1 66259484 XMMMRYGZMVXRBI-UHFFFAOYSA-N 371.444 4.130 0 1 FIAF O=C1NC[C@@H](C2CCC(c3ccccc3)CC2)N1c1ccc2[nH]cnc2c1 116196108 XPBIYIWYDFOLML-BPZDKFOGSA-N 360.461 4.435 0 1 FIAF COC(C)(C)C=Cc1c2c(c3oc(C)cc(=O)c3c1O)C=CC(C)(C)O2 2356509467 PSUAGFUDTCULAM-UHFFFAOYSA-N 356.418 4.429 0 1 FIAF CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@@](C)(CC1)CC[C@]2(O)C(C)C 2356679729 DVPFKQLUSCPERE-MXNKGDRCSA-N 358.478 4.461 0 1 FIAF COc1cccc(NC(=S)N[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 72110806 HBGRRVQKBGCKTF-NRFANRHFSA-N 370.518 4.466 0 1 FIAF Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4C(=O)O)cc3)cn2c1 38558426 DEQMSMTUSGDCRS-UHFFFAOYSA-N 371.396 4.260 0 1 FIAF CCCCC[C@@H](O)[C@@H](/C=C/[C@H](O)CCCCCCCC(=O)O)OCC 33820378 IEEBTNFNSJRPDT-BWHNKTFFSA-N 358.519 4.065 0 1 FIAF COC[C@H]1Cc2c(n(Cc3ccccc3)c3ccccc23)[C@@H]2CCCC(=O)N21 73280555 OBHFTCLIRLAKKN-GCJKJVERSA-N 374.484 4.314 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2F)n1 82152806 CUJXACXFMCNOMS-HNNXBMFYSA-N 370.472 4.365 0 1 FIAF O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccco1 43067788 MFXBEPUXBFMHDD-UHFFFAOYSA-N 362.457 4.419 0 1 FIAF CC[C@@]12C[C@](C)(O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12 141825986 VWFKACUYWYZVSW-YJSIEXFISA-N 352.474 4.035 0 1 FIAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@@H]1C(C)(C)CCC[C@]1(O)CO)C=C2 85884635 VQUOAESRDYPVEX-HJNYFJLDSA-N 360.494 4.195 0 1 FIAF biogenic O=[S@](c1ccccc1)c1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 473144239 AHNARCIHGPZGBW-AREMUKBSSA-N 362.410 4.276 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(C)c(Br)c1)O2 587381666 LAUHSBVMNXODDQ-INIZCTEOSA-N 364.214 4.494 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(C)=O)CC2=O 587468258 CSOQRTKQWNYIFQ-OAQYLSRUSA-N 353.418 4.184 0 1 FIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587052696 IMFGXFFNGOEGAF-SNVBAGLBSA-N 371.746 4.063 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc[nH]c2C(C)(C)C)N1 587789133 CDGNDFHHCVADIC-OTYXRUKQSA-N 366.278 4.232 0 1 FIAF CC(C)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587742479 RNZMVDHFZVUBHG-DIXQKRHNSA-N 355.295 4.049 0 1 FIAF N=c1[nH]c2c(s1)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587208754 YXSLYBFZHDOMJW-UHFFFAOYSA-N 355.422 4.081 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccs1)CC2=O 587494424 LMTDBRRSPJSMRP-FQEVSTJZSA-N 374.458 4.220 0 1 FIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587558472 SKZHYGBGAPOTEF-NQIIRXRSSA-N 366.344 4.243 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3sccc32)N1 587859867 YNVGUIMIINOOHI-ABKXIKBNSA-N 352.272 4.374 0 1 FIAF CC(C)[C@](C)(O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586891089 SFNQEZQZGUINQM-LBPRGKRZSA-N 351.166 4.208 0 1 FIAF COc1ccc(OC)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1OC 587794541 NAWIGHWCNGVDMJ-UHFFFAOYSA-N 352.312 4.275 0 1 FIAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587585600 FBVAZCIIXHGFTO-UGKGYDQZSA-N 361.397 4.281 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3[nH]c(O)cc3c1)CC2=O 587482789 JIKOFKCKOHKTMC-NRFANRHFSA-N 351.402 4.412 0 1 FIAF Cc1cc(F)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2c1 587124129 LVAKFIBGCXORMD-UFBFGSQYSA-N 353.323 4.181 0 1 FIAF N[C@@H](N=O)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586980526 VRZYPICPGZEUME-ZDUSSCGKSA-N 365.618 4.370 0 1 FIAF CCOc1c(Cl)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587419486 DONHUVDVNVUQAK-BFUOFWGJSA-N 374.820 4.245 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(O)c2)N1 587722637 ZCQDHFMWSRJGMH-ZKANADHPSA-N 354.194 4.057 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(C(F)(F)F)c1F)[C@@H](C2)C3=O 587418902 DXGQKGRDXSPWCP-DYZYQPBXSA-N 370.273 4.481 0 1 FIAF CCc1cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)on1 962629609 BTTVKLZYQLRNRU-OFNKIYASSA-N 359.473 4.073 0 1 FIAF COc1ccc2oc(C3CC3)c([C@@H]3NCCc4nc5ccccn5c43)c2c1 962999595 YRJXOZMIAPXKQE-FQEVSTJZSA-N 359.429 4.202 0 1 FIAF COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccs2)cc1 13146871 JOVMGMZFXVTCIX-HFSMHLIXSA-N 371.502 4.265 0 1 FIAF O=C(N[C@@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 169350896 KCYOCCOLGUUYQZ-NHCUHLMSSA-N 365.452 4.138 0 1 FIAF Cc1nc(-c2ccc(F)c(F)c2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1 1857573188 JOIVAEYUULQRLW-UHFFFAOYSA-N 354.360 4.074 0 1 FIAF NC(=S)c1cccc(-c2cn(CC3CCC3)c3cc(CO)ccc23)c1 1857583627 PPEBJERYDWQWSL-UHFFFAOYSA-N 350.487 4.235 0 1 FIAF CCCCC(C(=O)Nc1ccc(OC)cc1)C(=O)Nc1ccc(OC)cc1 27443143 RVZYFJYBWGSOEW-UHFFFAOYSA-N 370.449 4.087 0 1 FIAF Cn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2cccc(C(F)(F)F)c21 29128099 OBMNKSXZMVBGPZ-UHFFFAOYSA-N 367.758 4.014 0 1 FIAF COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C(C)=O)c1 40424369 HUUCNHDAVUDTRW-UHFFFAOYSA-N 353.374 4.256 0 1 FIAF CO[C@H]1Cc2sc(Cl)cc2C2(CCN(Cc3ccccc3)CC2)O1 84757456 NEODMSXUPRXVQZ-GOSISDBHSA-N 363.910 4.438 0 1 FIAF Cc1nn(C2CCCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565338 SJZGKSPSPQDYKC-UHFFFAOYSA-N 363.864 4.266 0 1 FIAF CC1(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)no3)C2)CCCCC1 95589695 RWFWXEMXIWNEDF-KRWDZBQOSA-N 353.466 4.413 0 1 FIAF Oc1ccc2c(c1)[C@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 100721961 OAOLZFMKVKHDBF-VXKWHMMOSA-O 356.401 4.290 0 1 FIAF Oc1cc(SCc2nc3ccccc3[nH]2)c(O)n1-c1ccc(F)cc1 169689357 ZMALTXGEMOJDTD-UHFFFAOYSA-N 355.394 4.196 0 1 FIAF C[C@H]1CCN(c2cccc(Nc3cc(-c4ccccc4)nn4ccnc34)n2)C1 207354976 MDCYLEFLXKCDTP-INIZCTEOSA-N 370.460 4.381 0 1 FIAF Cc1ccc2ccccc2c1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586883025 FJLNZUIQXQWFIP-UHFFFAOYSA-N 356.473 4.443 0 1 FIAF CCc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587003457 VJVFSMDHYIOCMB-UHFFFAOYSA-N 369.266 4.480 0 1 FIAF CCCc1sc(=N)[nH]c1-c1nc2cc(Br)cc(Cl)c2[nH]1 587013643 VQJNMGAFRRQEHS-UHFFFAOYSA-N 371.691 4.467 0 1 FIAF Cc1cc(F)c2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2c1 587019216 HPESTLZVGFRHLP-UHFFFAOYSA-N 372.450 4.372 0 1 FIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587052748 KYABFSXGNBVWPZ-LLVKDONJSA-N 371.746 4.063 0 1 FIAF CCOc1n[nH]c(-c2nc3ccc(Br)c(C)c3[nH]2)c1Cl 587064810 HBNZOKUESLSBOY-UHFFFAOYSA-N 355.623 4.076 0 1 FIAF Sc1nc(S)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2n1 587077179 SIXSHADARSOILS-UHFFFAOYSA-N 371.878 4.313 0 1 FIAF FC(F)(F)COc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)ccn1 587092649 YERPDRPFHFNEDJ-UHFFFAOYSA-N 363.126 4.268 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc12 587108675 OPTDJJJZVFHRDJ-UHFFFAOYSA-N 355.703 4.304 0 1 FIAF COc1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2n1 587122824 YPZDAUCRBIKYHQ-UHFFFAOYSA-N 374.322 4.389 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccncc1NC(=O)OC(C)(C)C)O2 587392166 XPHQRVUKITXWJI-KRWDZBQOSA-N 369.421 4.026 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCSc4c(F)ccc(F)c41)[C@@H](C2)C3=O 587428014 MRNZXLDVJRVSFY-WLRWDXFRSA-N 360.381 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(C)(C)O)cc1)CC2=O 587491005 TVVLMUVWGAEESJ-QFIPXVFZSA-N 354.446 4.453 0 1 FIAF COc1ccccc1-n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516697 DSVWHUDXVVTTTH-QFIPXVFZSA-N 374.440 4.466 0 1 FIAF CCOC(=O)[C@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523011 MJTBYEKBXHJZLF-HSZRJFAPSA-N 364.441 4.298 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(O)c1 587540938 CIPJJJZYUJEDJH-FXAWDEMLSA-N 368.772 4.454 0 1 FIAF CCCCCC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604455 TZYXNYIVCPRMOR-LAUBAEHRSA-N 370.401 4.148 0 1 FIAF C[C@]1(c2ncc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620355 YJORWRYNCHYNKY-KSSFIOAISA-N 373.817 4.379 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(CN(C)C)CCCC2)N1 587739419 GWLJHZOGSMPUQC-PXAZEXFGSA-N 369.322 4.286 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cnc2F)N1 587739773 VUWPMTPVNRQRAB-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2coc(C3CC3)n2)N1 587773395 IFPGRWOKRLCWAT-XYZCENFISA-N 365.246 4.251 0 1 FIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 587784232 GGANVSMQSYRCBH-STQMWFEESA-N 371.234 4.269 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncccc1Br 587869521 LONGUBZZPJCZRB-UHFFFAOYSA-N 362.202 4.235 0 1 FIAF COc1ccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1OC 587927441 QPSKAJBGGMTKMU-UHFFFAOYSA-N 352.312 4.070 0 1 FIAF Cc1cccc([C@@]2(CC(=O)C(F)(F)F)NCCc3cc(C)c(F)cc32)c1 962094462 SRQUVLLPQXGRGI-LJQANCHMSA-N 365.370 4.353 0 1 FIAF CCc1cccc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962971211 STWITUWMWJHNRC-DNVCBOLYSA-N 365.807 4.043 0 1 FIAF Cc1ccc(S(=O)(=O)Oc2cc(C)cc3c2[nH]c2cc(O)ccc23)cc1 1772616170 ZGDKRHYWGFGLEI-UHFFFAOYSA-N 367.426 4.411 0 1 FIAF COc1cccc2cc3c(cc12)C(=O)N(CCc1ccccc1Cl)C3=O 1857579393 OJDGGCVJKVLRIA-UHFFFAOYSA-N 365.816 4.341 0 1 FIAF Cc1ncc(C)n2nc(-c3ccc4[nH]c(-c5ccc(F)cc5)nc4c3)nc12 1857643525 ACFLSTWPZCAEMB-UHFFFAOYSA-N 358.380 4.091 0 1 FIAF CC=C(C)C(=O)O[C@H]1[C@@H](C)[C@@]2(C)Cc3c(C)coc3C[C@H]2C[C@H]1OC(C)=O 2356422917 XYKLXGAMSCMNFT-RPOJGZRZSA-N 374.477 4.159 0 1 FIAF CCCNC(=O)O[C@H]1C=C[C@@H](c2c(C)nn(-c3ccccc3C)c2C)C1 2356838373 LZKQBHFJUGANLT-MSOLQXFVSA-N 353.466 4.346 0 1 FIAF Fc1ccc(SCCCN2CCn3c(nc4ccccc43)C2)c(F)c1 2382240381 CFGMEQLDYLZYNY-UHFFFAOYSA-N 359.445 4.313 0 1 FIAF CC(=O)Nc1cccc(Oc2nc(NCC3CC3)nc3ccsc23)c1 61895786 DZVMKWFBOTUXJU-UHFFFAOYSA-N 354.435 4.264 0 3 FIAF CCC(CC)C(=O)N(C)c1c(C)nc2c(OCC(=O)C(C)(C)C)cccn12 61903754 WUNPHZNMZVITED-UHFFFAOYSA-N 373.497 4.036 0 3 FIAF Cc1ccccc1NC(=O)Nc1nc([C@H](N)Cc2ccccc2)cs1 61908635 QZPHWROOYJMUFW-OAHLLOKOSA-N 352.463 4.338 0 3 FIAF O=C1CN(C(=O)c2ccccc2)[C@@H](c2ccccc2)c2cc(F)ccc2N1 2494124 IGFKBDLQKGAYTP-NRFANRHFSA-N 360.388 4.010 0 3 FIAF Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)NC2CCCC2)cc1Cl 3049357 XKZPEKIZUVODBS-LJQANCHMSA-N 368.864 4.409 0 1 FIAF CC=C(C)C(=O)O[C@H]1[C@@H](C)[C@]2(C)Cc3c(C)coc3C[C@H]2C[C@H]1OC(C)=O 2356422916 XYKLXGAMSCMNFT-QBHFOJNWSA-N 374.477 4.159 0 1 FIAF Cc1cccc(N2CC[C@@H](NC(=O)Nc3ccccc3Br)C2)c1 3988348 UCJCBLGJQBYFKW-CQSZACIVSA-N 374.282 4.158 0 1 FIAF Cc1ccc(OCc2nc(=S)nc3oc(-c4ccccc4)nn23)cc1 103167258 YGZACOPFBUMSQC-UHFFFAOYSA-N 350.403 4.001 0 1 FIAF Fc1cc(-c2ccc(Cl)cc2)cc(-n2nnc(-c3ccccn3)n2)c1 28397753 ROYXZNLIRKKGRO-UHFFFAOYSA-N 351.772 4.184 0 1 FIAF Cc1cc(-c2cc(-c3ccccc3)cc(N(C)CCN(C)C)n2)ccc1O 29569084 IPMFARPWLNIIMH-UHFFFAOYSA-N 361.489 4.427 0 1 FIAF COc1ccc(F)cc1C(C)(C)C[C@@](C)(O)Cc1cc2ccncc2[nH]1 113504829 PZPQWFDLBYRFRX-NRFANRHFSA-N 356.441 4.372 0 1 FIAF C[C@H](NC(=O)c1onc(-c2ccc(F)cc2)c1[C@@H](C)O)c1ccccc1 2356303229 OACXJEILMCXGGL-QWHCGFSZSA-N 354.381 4.025 0 1 FIAF COCc1cccc(-c2csc([C@H](NC(C)=O)c3ccccc3)n2)c1 61908543 SGHOKMHPTDWBCM-LJQANCHMSA-N 352.459 4.182 0 3 FIAF CCc1ccc2c(c1)-c1nc(N)nc(-c3ccc(Br)o3)c1C2 28128447 NTPGDBKTVIJBGN-UHFFFAOYSA-N 356.223 4.215 0 1 FIAF O=c1cc(Cn2ccnc2)c2ccc(OCc3cccc(Cl)c3)cc2o1 66113188 JJPOCVQOQBXDOT-UHFFFAOYSA-N 366.804 4.270 0 1 FIAF O=C(C1CCC1)N1CCC[C@H]1c1c[nH]c(-c2cccc(Cl)c2)cc1=O 72175807 HFXLKMDYPFMMCB-SFHVURJKSA-N 356.853 4.159 0 1 FIAF CNc1nccc(-c2ccc(NC(=O)OCc3ccc(F)cc3)s2)n1 36144146 YYVSCAHJOXSJPU-UHFFFAOYSA-N 358.398 4.135 0 1 FIAF O=C(c1cc2ccccc2[nH]1)c1cc2c(Nc3ccc(O)cc3)ncnc2[nH]1 73197103 LSRJXNZHEBBALZ-UHFFFAOYSA-N 369.384 4.119 0 1 FIAF C1=C\CNCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1 34997354 JEMMIJOETMAKME-UPHRSURJSA-N 358.445 4.316 0 1 FIAF C[C@@H](C(=O)[C@@H](C)c1cccc(Oc2ccccc2)c1)C(=O)N1CCCC1 36440513 UUPABTWOCOGHSN-IRXDYDNUSA-N 351.446 4.410 0 1 FIAF COc1ccc2c(c1)[C@H](OS(=O)(=O)O)C[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@H]12 31418295 PFJCFTUPAUBLFO-FDMITFGQSA-N 366.479 4.259 0 1 FIAF CC(C)Oc1ccc(CC[C@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1F 35013149 LFEVORHDBSIHAI-OAQYLSRUSA-N 362.441 4.381 0 1 FIAF COc1cc2c(cc1O)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](C)[C@@H](C)C2 72107795 URJIMCPRAROPBM-BYVOGVQKSA-N 372.461 4.387 0 1 FIAF COc1ccc([C@@H]2SCCN2C(=O)COc2ccccc2)cc1Cl 40764306 QUVHDJDWPPTHTA-SFHVURJKSA-N 363.866 4.002 0 1 FIAF CN(C)CCCOc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 224934916 FBPIJILRKDFMHJ-UHFFFAOYSA-N 366.383 4.288 0 1 FIAF Cc1ccc(NCc2nc3c(sc4ccc(Cl)cc43)c(=O)[nH]2)cc1O 45289452 PQYUEAJNIVGPAQ-UHFFFAOYSA-N 371.849 4.417 0 1 FIAF CCCS(=O)(=O)N(Cc1ccc2c(n1)C=CC(C)(C)O2)c1ccccc1 82158438 ZIAHQCCFMFHQGX-UHFFFAOYSA-N 372.490 4.012 0 1 FIAF Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CCCCC3)cc12 146959555 FVCCRDNDRZVOGL-UHFFFAOYSA-N 372.476 4.500 0 1 FIAF COC(=O)c1cc2c(o1)c1ccccc1n2Cc1ccc(C(=O)OC)s1 96917720 JPZQTVDWUZYPOT-UHFFFAOYSA-N 369.398 4.071 0 1 FIAF O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccsc1 95580149 DGBJLEREWKGWML-UHFFFAOYSA-N 358.294 4.356 0 1 FIAF in-vitro COc1ccc(CCc2ccccc2N2C(=O)c3ccccc3C2=O)cc1 473134952 DLOHIMRUBSGKBB-UHFFFAOYSA-N 357.409 4.281 0 1 FIAF O=C(O)c1ccc2c(c1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528587 CHKYYNFGQIDFLI-QHCPKHFHSA-N 362.425 4.461 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(O)cc2)N1 587830091 BCMYJNIUBKPMEA-VOJFVSQTSA-N 364.258 4.286 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCC(C)C)(CC(=O)OCC)CC2=O 587482421 NWNZGKWPDCREGZ-NRFANRHFSA-N 362.466 4.438 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)O)ccc1C)CC2=O 587492912 ZHJHHPXYPHIXIU-OAQYLSRUSA-N 354.402 4.232 0 1 FIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587772799 WZDIDMGHDIJKNL-VOJFVSQTSA-N 363.274 4.398 0 1 FIAF Cc1ncc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587851829 CUEGRWSUOFUJMF-AYVTZFPOSA-N 355.276 4.151 0 1 FIAF Brc1cnc2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587037878 ZVJLRTMJUCZOKJ-LLVKDONJSA-N 352.282 4.161 0 1 FIAF Cc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Br 586908672 TVHGTTANHCGCCL-JTQLQIEISA-N 359.223 4.215 0 1 FIAF [O-][n+]1ccccc1SCc1nc2ccc(SC(F)(F)F)cc2[nH]1 586970093 VIXWDWCUQYNPIY-UHFFFAOYSA-N 357.382 4.101 0 1 FIAF FC(F)COc1cccc(-c2nc3c(Br)cccc3[nH]2)n1 587125585 SKPHIHBAMAPHPV-UHFFFAOYSA-N 354.154 4.031 0 1 FIAF CCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587616184 JBSYIZKNIDSZIF-GHTZIAJQSA-N 350.370 4.425 0 1 FIAF CC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601425 FXLMSDRBGBXCGS-REWPJTCUSA-N 374.392 4.472 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccncc3[nH]2)N1 587800557 BQHWLTRCISUGLH-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF CCOC(OCC)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587399957 KZJOJLRLSPWHDS-LJQANCHMSA-N 355.434 4.355 0 1 FIAF CCOC(=O)c1[nH]c(C)c([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1C 963099813 JYEMMWMIPIZFRL-UZLBHIALSA-N 356.441 4.057 0 1 FIAF CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc3ccccc3c2N)cc1 1772584471 PDYZMASBVPWNDZ-UHFFFAOYSA-N 355.459 4.487 0 1 FIAF Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)sc1-c1ccccc1 13589567 AGFCJQHTXPTLBM-UHFFFAOYSA-N 373.455 4.223 0 1 FIAF COc1ccc([C@]2(OC(C)=O)Sc3ccccc3-n3cccc32)cc1 13651981 JPKWROHZSHVEFV-FQEVSTJZSA-N 351.427 4.356 0 1 FIAF CCOc1cc([C@H]2c3c(n[nH]c3C)N=C3CC(C)(C)CC(=O)[C@H]32)ccc1O 169690704 OSLSYBUAWWVOKT-OALUTQOASA-N 367.449 4.046 0 1 FIAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1cnc2ccccc2c1 167057389 UKRFQZGXINBUFF-GOSISDBHSA-N 362.429 4.116 0 1 FIAF CCN(CC)CCCNC(=O)c1cnc2c3c(cccc13)-c1ccccc1C2 1857588040 FSJXZDLBESKLFK-UHFFFAOYSA-N 373.500 4.268 0 1 FIAF Fc1ccc2c(c1)nnn2Cc1ccc(-c2ccc(Cl)cc2F)nc1 1857593126 VZDYQXIDEDTYEI-UHFFFAOYSA-N 356.763 4.473 0 1 FIAF O=C(O)CCn1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 584619594 WSFKMLQSYRCAQE-UHFFFAOYSA-N 352.234 4.062 0 1 FIAF c1ccc(-c2cc(N3CCc4ccccc4C3)nc(-c3ccccn3)n2)nc1 1503826 HDIXGEAFERVMRF-UHFFFAOYSA-N 365.440 4.163 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC 13863442 SEWBUIWTHYNBNC-ZWKOTPCHSA-N 362.429 4.037 0 1 FIAF C[C@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N(C)C2 27721725 ZSLWUVZDXDAKIP-WIZAYZPVSA-N 353.865 4.055 0 1 FIAF CC(=O)OC[C@@]1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 28701972 ZOMCMFCGQVIKDG-ZQONDGBOSA-N 358.478 4.448 0 1 FIAF C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)c(F)c(CC)c4c2O1)C(=O)C[C@H](C)O3 29133592 BJWLKEGIGATMPF-LJRGRFNSSA-N 370.376 4.199 0 1 FIAF CN1[C@@H]2CC[C@@H](OC(=O)N3c4ccccc4Sc4cccnc43)[C@H]1CC2 29469437 MMNMRACPVNWKDQ-SQWLQELKSA-N 367.474 4.446 0 1 FIAF CNC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 36221684 NHTWPKUCTUYFEM-XKCSPQBFSA-N 368.521 4.263 0 1 FIAF in-vivo C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(c3ccccn3)C[C@H]2C1 36289106 QFURDKZFPGIQLC-FYYLOGMGSA-N 359.517 4.260 0 1 FIAF CCCCCOc1ccc(-c2nc(CNCC[C@H]3CCCN3C)co2)cc1 72184426 OEPDGRWKXRRKBR-HXUWFJFHSA-N 371.525 4.485 0 1 FIAF C=CC1=C(C(=O)NCc2ccc(Cl)cc2)[C@H](c2ccc(OC)cc2)OC1 73219508 ZCFAGVWGFLIFBP-FQEVSTJZSA-N 369.848 4.219 0 1 FIAF CC(C)CN(C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1F 82159883 VKOKKCJBYLKUTN-UHFFFAOYSA-N 372.488 4.103 0 1 FIAF COc1ccc(-c2cc(N[C@@H](C)c3ccccc3)ncn2)c(OC)c1OC 82160345 DEXILZSJRZMVIP-AWEZNQCLSA-N 365.433 4.343 0 1 FIAF O=C1C[C@@H](COc2cc(Cl)cc(Cl)c2)CN1Cc1ccccc1 95554416 YGUHHSIWJUGZDZ-CQSZACIVSA-N 350.245 4.421 0 1 FIAF O=C(COc1cccc(-c2ccoc2)c1)Nc1ccc(Cl)cc1C(=O)O 113791364 BKOKVEAXWGGKAT-UHFFFAOYSA-N 371.776 4.316 0 1 FIAF CC(=O)O[C@H]1/C=C(\C)CC[C@@H]2[C@@](C)(C/C=C(\CO)C1)CC[C@@]2(O)C(C)C 169644504 GKQBGOCRINYHSS-DGASVPQISA-N 364.526 4.161 0 1 FIAF C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)O[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C 238763074 QPBYXPLUADJZPQ-YHPQYGKZSA-N 354.402 4.099 0 1 FIAF CCCc1cc(-c2nc(-c3ccnc(O[C@H]4CCOC4)c3)cs2)ccn1 299826696 HRJRZVJZMSPEHU-KRWDZBQOSA-N 367.474 4.387 0 1 FIAF COCCn1c(-c2ccc(OC)cc2)nc2cc(C(F)(F)F)ccc21 299834146 ULWWRDFAVACNCD-UHFFFAOYSA-N 350.340 4.377 0 1 FIAF CC(C)C[C@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586901627 UOFMRAMJFKGHIU-JTQLQIEISA-N 367.165 4.304 0 1 FIAF Cc1c(Br)ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 586908845 SKSVGQFOQZGHEA-UHFFFAOYSA-N 357.207 4.272 0 1 FIAF COC(=O)c1cc(Cl)c2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2c1 587072831 XYKWANYWKAYTRC-UHFFFAOYSA-N 363.200 4.082 0 1 FIAF O=C(O)c1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1F 587084534 BOUMHLFKNYPQNT-UHFFFAOYSA-N 368.755 4.178 0 1 FIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(F)c2[nH]1 587114240 XXURWELZIWWZAF-KRWDZBQOSA-N 365.330 4.120 0 1 FIAF O=C(O)c1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1F 587134154 JRLBSJQPQJDWBH-OWOJBTEDSA-N 372.224 4.266 0 1 FIAF CCOC(=O)c1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2c1 587136310 NCVWPFDKDGTWFM-UHFFFAOYSA-N 371.412 4.305 0 1 FIAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(C)(C)C)cc2[nH]1 587193445 AMNUNDHUKZVIFM-MRXNPFEDSA-N 374.529 4.378 0 1 FIAF O=C(/C=C/c1nc2cc(F)cc(Br)c2[nH]1)Nc1ccccc1 587244955 SQVTZZOAMCQAHM-VOTSOKGWSA-N 360.186 4.116 0 1 FIAF CO[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353001 KNRYTGRCPAJTJP-OZOXKJRCSA-N 356.393 4.218 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)C(C)(C)C1)O2 587391823 OULDZROXINMNEE-QHCPKHFHSA-N 364.489 4.356 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1c(Cl)ccnc1Cl)[C@@H](C2)C3=O 587421370 PRVMQZIRCHTSTL-BTDLBPIBSA-N 350.201 4.060 0 1 FIAF CCCn1nc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582034 NGALWUBJDGFZJP-GHTZIAJQSA-N 364.401 4.010 0 1 FIAF Cc1c[nH]c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 587588165 JXUYQJKLIJXFRY-GHTZIAJQSA-N 372.380 4.280 0 1 FIAF CCn1ncc(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587701404 XONYQZUCMVHZKK-RMLUDKJBSA-N 372.669 4.082 0 1 FIAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587719042 OQISJCUZZNKRFA-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cnn(C)c3c2)N1 587759351 KINLCUGZIRTGJU-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF CC[C@@H]1CN2CC[C@H]1C[C@H]2COC(=O)Nc1ccc(Br)cc1 2356468454 CLZDJZYBHMNIKP-WWGRRREGSA-N 367.287 4.118 0 1 FIAF CCCCN1CCC(COC(=O)c2c3n(c4ccccc24)CCCO3)CC1 1537634 HATXPTCDDBRERG-UHFFFAOYSA-N 370.493 4.093 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)OC 59256704 TWECVLQAVWUYGO-PMPHTVEESA-N 350.499 4.369 0 1 FIAF Cc1n[nH]c(C)c1C(=O)NC[C@H]1CC[C@@H](CCOc2ccccc2)CC1 101127901 HEEWGYXGISXOMO-IYARVYRRSA-N 355.482 4.032 0 1 FIAF CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 28478011 ZODZKHUBOYRAIY-MSOLQXFVSA-N 351.446 4.498 0 1 FIAF CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CN)c1 64528094 AKLBWCHTGHQPMA-UHFFFAOYSA-N 359.477 4.016 0 1 FIAF in-vitro CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]3O[C@@H](C[C@H](C)[C@H]4CC[C@@]3(C)O4)[C@@H]21 2356395519 QZJZTABPQUIWIH-ROPMUVNJSA-N 364.526 4.352 0 1 FIAF CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 27100564 BLJIZWQCQUDUGF-UHFFFAOYSA-N 357.413 4.421 0 1 FIAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]3COC(=O)[C@@H]3CC[C@H]12 2356797992 OSEFILMYXYHCQF-CHPFXJTMSA-N 362.510 4.362 0 1 FIAF CNC(=O)N(C)C(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49783613 KNJQPBZNDQJXNX-ZDUSSCGKSA-N 357.281 4.455 0 1 FIAF COc1ccc(/C=C/c2nc3ccccc3n3c(C(F)(F)F)nnc23)cc1 40914216 JHBQEEJBMNHAQD-DHZHZOJOSA-N 370.334 4.475 0 1 FIAF COc1ccc(N2C(=O)c3n[nH]c(C(C)C)c3[C@H]2c2ccc(F)cc2)cc1 199730222 WTCXDDIGTQIEEJ-HXUWFJFHSA-N 365.408 4.431 0 3 FIAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3cccn3CC)cc2)C[C@H]2CC[C@H]1N2C 253693395 ZEBKVNWXQZNPAB-CZAYHTPWSA-N 366.505 4.304 0 1 FIAF CCCc1cc(-c2nc(-c3ccnc(OCCOC)c3)cs2)ccn1 299830409 VEMIHEODGKJFBE-UHFFFAOYSA-N 355.463 4.245 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc[nH]c2C(C)(C)C)N1 587789137 CDGNDFHHCVADIC-YMTOWFKASA-N 366.278 4.232 0 1 FIAF CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC 587440447 HDFUJMWNLLIJGH-OPAMFIHVSA-N 368.429 4.155 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)NCc1ccc(Cl)cc1 587871552 ZKZGOEOTABZYEZ-UHFFFAOYSA-N 373.815 4.499 0 1 FIAF Oc1cccc(CCCCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 586896524 SURIZWDSEMGZEB-UHFFFAOYSA-N 350.397 4.159 0 1 FIAF C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 587606173 BXZJWYXKYGEPGA-ZTWLPKFNSA-N 374.392 4.420 0 1 FIAF COc1cc(-c2nc3ccc(Br)c(C)c3[nH]2)cc(OC)c1O 587785094 LICXBZSFLHDXPL-UHFFFAOYSA-N 363.211 4.024 0 1 FIAF CC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587813827 DYZXUHINUBZZPG-MLCYQJTMSA-N 362.242 4.414 0 1 FIAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccn1 587516609 DKSDUHWLOYYVAT-QHCPKHFHSA-N 373.456 4.335 0 1 FIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc3ncccc3c2[nH]1 587080866 UIYCFUODRVRGPY-HNNXBMFYSA-N 361.836 4.488 0 1 FIAF CC(C)Oc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Br 587085943 PLECATMVTKCPBB-UHFFFAOYSA-N 367.634 4.223 0 1 FIAF O=C1C[C@H](c2ccc(Sc3nc[nH]n3)o2)Oc2c1ccc1c2CCCC1 587530764 DTVLEVYZIOJLBI-MRXNPFEDSA-N 367.430 4.134 0 1 FIAF C[C@@]1(C2(O)CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348878 DYLJSRFCHLEHBU-TZIWHRDSSA-N 370.420 4.344 0 1 FIAF CC(C)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 587771289 BUBLIVIGEDURPK-VFZGTOFNSA-N 353.235 4.323 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Cl)c1 587551703 IQBHHXQHPRWMTH-QFBILLFUSA-N 353.761 4.144 0 1 FIAF COC(=O)c1ccc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587502518 FDJIJIOPJUHAMR-LJQANCHMSA-N 354.377 4.198 0 1 FIAF Cc1onc(-c2nc3ncc(F)cc3[nH]2)c1COc1ccc(Cl)cc1 587074947 BQKZYTBZSXKCKA-UHFFFAOYSA-N 358.760 4.293 0 1 FIAF O=C(O)c1cccc2c(CC3OCCCO3)c(-c3cccc(Cl)c3)[nH]c12 587638547 NHYCPWXIADDBEW-UHFFFAOYSA-N 371.820 4.492 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCC)c1)CC2=O 587481729 RWHKOEMDVKGTAZ-IBGZPJMESA-N 356.418 4.459 0 1 FIAF C[C@@]1(c2nc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585742 HICUIJMLXRKUSP-XMSQKQJNSA-N 373.364 4.410 0 1 FIAF O=[S@@](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)CC1CC1 586959195 MBVOARRLROCKAD-XMMPIXPASA-N 370.318 4.259 0 1 FIAF CC(C)[C@]1(C)CC[C@@]2(C1)N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962694316 GVWQMVBWUGPXKE-NXHRZFHOSA-N 373.390 4.485 0 1 FIAF COC(=O)[C@@H]1CCc2occc2[C@]12NCCc1cc(-c3ccccc3)ccc12 962659030 AEJCIAZWEAJWKM-URXFXBBRSA-N 373.452 4.071 0 1 FIAF COc1ccc2c(c1Cl)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772624233 ALNOKYGIIBSHHV-AWEZNQCLSA-N 372.896 4.104 0 1 FIAF C[C@H]1CCC[C@@H](NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)[C@@H]1C 12634775 LPFCQNJZJVZEND-MMNPAVHPSA-N 370.522 4.094 0 1 FIAF CC(C)CC(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 169317726 ZBAYGVGVHZNAPF-FQEVSTJZSA-N 370.836 4.045 0 1 FIAF CCN1C/C(=C\c2ccccc2)C2=NC(=S)N[C@H](c3ccccc3)[C@@H]2C1 169730328 RVGBXVNYSROBSW-HHBVSCPVSA-N 361.514 4.092 0 1 FIAF CSc1nn(-c2ccccc2)c2cc(NC(=O)c3ccncc3)ccc12 165194182 QMGHJQGYKHLTJI-UHFFFAOYSA-N 360.442 4.395 0 1 FIAF O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(c2nc3ccccc3o2)C1 201461321 BGFKJWXUHCBPEF-HNNXBMFYSA-N 369.852 4.014 0 3 FIAF C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ccc2c1 205443543 OJOLRQIPVKEKAK-ZDUSSCGKSA-N 372.428 4.465 0 1 FIAF COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2c(OC)c1OC 1857751190 BUSALTYGGLXFHN-UHFFFAOYSA-N 363.776 4.192 0 1 FIAF COCCOCCOCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 5885272 HEUDUECKTWTQQR-UHFFFAOYSA-N 352.515 4.459 0 1 FIAF in-vivo Cc1cccc(Cl)c1Nc1nc2cc3c(cc2n2cncc12)OCCO3 13860299 MQSBHHCEUPLSPX-UHFFFAOYSA-N 366.808 4.359 0 1 FIAF Cc1cc2c(c(O)c1Br)C(=O)C(=O)[C@]1(C)CC[C@H](C(C)C)[C@@H]21 15267044 LJUSWSWJFIZLDY-SBOFIZKASA-N 365.267 4.384 0 1 FIAF biogenic c1ccc(N2CCN(CCCCOc3ccc4c(c3)CCC4)CC2)cc1 26497791 RAVHKWIVYCHFCF-UHFFFAOYSA-N 350.506 4.157 0 1 FIAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(NC)cc3C)c(C)nn12 28364872 FPSACPHQDKIKRT-UHFFFAOYSA-N 366.513 4.385 0 1 FIAF CC(C)N[C@H](C)[C@H](O)COc1ccccc1-c1nc2ccccc2s1 28766541 XLWHOSCPYSMBHS-RHSMWYFYSA-N 356.491 4.090 0 1 FIAF C/C(=C\c1ccccc1)CN(CCCN)C(=O)CCCc1cccs1 28825849 DCWQOJZKBZYRFV-FBMGVBCBSA-N 356.535 4.352 0 1 FIAF Cn1c([C@](C)(O)CSCC(F)(F)F)nc2cc(Cl)c(Cl)cc21 28890385 PYOZRLCEGNKERX-GFCCVEGCSA-N 373.227 4.383 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(OC)c3)cc2)C[C@@H]2CC[C@H]1N2C 29480286 YAWYTOJUXFKJAW-BDKRGJGYSA-N 365.473 4.102 0 1 FIAF O=C(c1cc2ccc(O)cc2[nH]1)N1CCC(Cc2cccc(F)c2)CC1 35259615 JFPXKCUDHUXMED-UHFFFAOYSA-N 352.409 4.108 0 1 FIAF C[S@@](=O)C[C@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3 40567204 YTBQLBSVAHMJNU-AACZAEJFSA-N 366.567 4.479 0 1 FIAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCNCC2 45301599 TZEYNORFUJZZEJ-UHFFFAOYSA-N 350.249 4.326 0 1 FIAF CNCCNCc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 45334690 TZQWFRYCQNPBID-UHFFFAOYSA-N 374.463 4.345 0 1 FIAF Cc1nc(Nc2c(C)cc(Cl)cc2Cl)c(=O)n([C@H](C)C2CC2)n1 49035890 WRBVRSQZIWSSGT-SECBINFHSA-N 353.253 4.277 0 1 FIAF O=C(NC[C@@H]1CCN2CCC[C@@H]1C2)c1ccccc1-c1cccc(Cl)c1 49052655 OQWMGAPGZMIOTJ-ZWKOTPCHSA-N 368.908 4.469 0 1 FIAF Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(F)cc1Cl 49112290 JZSVNXIHPUSZGC-UHFFFAOYSA-N 357.816 4.212 0 1 FIAF COc1ccc2nc(C)c3c(C)nc(-c4ccc(F)cc4Cl)n3c2n1 73169858 FOCSRCJRUICCOO-UHFFFAOYSA-N 356.788 4.362 0 1 FIAF COc1cc2nc(N3CCCCCC3)nc(NCC(C)C)c2cc1OC 82128441 OZVMFWIOVQKMIA-UHFFFAOYSA-N 358.486 4.095 0 1 FIAF COc1ccccc1N1CCN(c2nc(C3CCC3)nc3ccccc23)CC1 96284494 HOHUZHPCXFCPMJ-UHFFFAOYSA-N 374.488 4.233 0 1 FIAF Cc1ccc(O)c(C2=CC3=NNC(=O)[C@@H]3[C@@H](c3cccc(Cl)c3)C2)c1 102956228 MVTXBXOUQKHDCY-VQIMIIECSA-N 352.821 4.027 0 1 FIAF COc1cc2c(c(O)c1C(=O)CC(=O)c1ccccc1)C=CC(C)(C)O2 105938528 LEDLCGZFJKUVFU-UHFFFAOYSA-N 352.386 4.041 0 1 FIAF biogenic COc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)c(Cl)n1 587084361 ZWLSTIBOUGPKSY-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF O=C(CCCN1C(=O)c2ccccc2C1=O)c1coc2ccc(Cl)cc12 587277028 ZQXNYFNXUHGYRU-UHFFFAOYSA-N 367.788 4.345 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccco4)n4ccccc14)[C@@H](C2)C3=O 587437208 XRSPOYUDXFJJFS-QKKBWIMNSA-N 372.380 4.092 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(C)c(C)c(C=O)c(C)c1C)[C@@H](C2)C3=O 587445045 HEQKODXHCXCDAZ-KSFYIVLOSA-N 350.414 4.230 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cc3ccc[nH]3)[nH]1)CC2=O 587488165 ZNICCFCXRRHZOX-HXUWFJFHSA-N 350.418 4.298 0 1 FIAF COc1ccc(F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587727164 ATPJYRVOQLLTIQ-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccc3cc[nH]c23)N1 587803937 QCVZIUMRNUPNPE-JDNHERCYSA-N 360.230 4.088 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C)cc1C 587870636 NQSZJTLVMOBHPL-UHFFFAOYSA-N 368.408 4.424 0 1 FIAF COc1cccc(-c2ccnc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)c1 587875488 PBLXLVUKIDNQDY-UHFFFAOYSA-N 360.348 4.250 0 1 FIAF CC[C@]1(c2ccc3c(c2)CCCO3)NCCc2cc3cccc(OC)c3nc21 963041552 XRZIPZYXGBSEHE-XMMPIXPASA-N 374.484 4.368 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@]12C 2356754317 WACIVNIHJKQSFP-NWIHUDFTSA-N 350.474 4.478 0 1 FIAF COc1ccc([C@@H]2C[C@@](O)(c3ccccc3)Oc3cc(OC)ccc32)cc1 13661711 AAJXZKMGUIMSEV-GMAHTHKFSA-N 362.425 4.464 0 3 FIAF Cc1cc2onc([C@H]3CCCN3S(=O)(=O)c3cccs3)c2cc1C 206029831 PXXHXOSGMUTAIU-CQSZACIVSA-N 362.476 4.032 0 3 FIAF O=C1C[C@]2(c3ccccc3)ON=C(c3ccccc3)N2c2ccccc2N1 1636836 FRNHVBUPYHIMAM-JOCHJYFZSA-N 355.397 4.080 0 1 FIAF C[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O 2965494 KMPYTGLDLSNNGZ-NSHDSACASA-N 355.850 4.252 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OCC 4049524 WIYMYULHJCEQDA-CTNGQTDRSA-N 366.461 4.093 0 1 FIAF Fc1ccc(-n2cc(OCCN3CCOCC3)c3cc(Cl)ccc32)cc1 13758613 SXQIOPRIKSIRIW-UHFFFAOYSA-N 374.843 4.134 0 1 FIAF COc1c2c(cc3oc(=O)c(-c4ccc(O)cc4)c(O)c13)OC(C)(C)C=C2 14687501 IZLQAVHJIQJAND-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF biogenic Cc1cccc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)c1 14948336 BEVMVMIJAOGGEI-UHFFFAOYSA-N 359.260 4.467 0 1 FIAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(CO)nn12 27195690 AFEASZOEKJUDNB-UHFFFAOYSA-N 372.900 4.477 0 1 FIAF Cc1cc(C(=O)Nc2cccc3c2Cc2c-3n[nH]c2-c2ccsc2)no1 28896729 CJSUPKJJDMWUPB-UHFFFAOYSA-N 362.414 4.258 0 1 FIAF O=C(O)CCCN1CC[C@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 29553635 NGPUNXMZLNUELL-ICSRJNTNSA-N 372.415 4.139 0 1 FIAF Cc1cccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)c1 35075214 HFHJOAAYBGRLBO-BPUDTRNYSA-N 364.533 4.185 0 1 FIAF C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 39559722 NBSRXDQGLXGTEV-MOHQOPMHSA-N 372.505 4.121 0 1 FIAF CCCS(=O)(=O)Nc1cccc(OCc2nc3ccccc3s2)c1 40632134 OFFUIRQOOAFCPB-UHFFFAOYSA-N 362.476 4.027 0 1 FIAF Cc1cc(CCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 40943338 HAUMMAHCGKEHHL-UHFFFAOYSA-N 362.406 4.443 0 1 FIAF O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ccccc12 43024941 ZVQVWCQOAHBIGN-UHFFFAOYSA-N 363.486 4.159 0 1 FIAF O=C(Nc1ccccc1)[C@@H]1C(=O)N2c3ccccc3CCc3cccc1c32 100658466 HALXFYIRKKGGGV-HXUWFJFHSA-N 354.409 4.186 0 1 FIAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2 101451374 SKIKZARVXIZUJL-NNFUDEMPSA-N 373.859 4.079 0 1 FIAF CN(C)CC(CSC(=O)c1ccccc1)CSC(=O)c1ccccc1 103291135 AWTNUOGUNYFLQS-UHFFFAOYSA-N 373.543 4.311 0 1 FIAF COc1cc(O)c2c(=O)c(-c3ccc(O)c(CC=C(C)C)c3)coc2c1 140905829 UOGDKDPIOBUDLU-UHFFFAOYSA-N 352.386 4.389 0 1 FIAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCCCC1 144694998 HPNZRSICFOYTOP-IBGZPJMESA-N 361.363 4.091 0 1 FIAF CC[C@H](NC(=O)c1c(Cl)[nH]c2c1CCCc1ccccc1-2)[C@H]1CCCN1 145902543 YHKJDVSRCXMZHV-DLBZAZTESA-N 371.912 4.084 0 1 FIAF in-vivo Clc1ccc(N[C@H]2C[C@H](Oc3ncccc3C3CCOCC3)C2)nc1 146909511 JIYNDMOZVSVFHS-IYBDPMFKSA-N 359.857 4.046 0 1 FIAF Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccc(F)cc2F)nc1 149819005 DTQCPVMYKXVJRV-UHFFFAOYSA-N 368.309 4.391 0 1 FIAF O=C1CCCCCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1 169690479 FXPBSMNWWFATLN-GQCTYLIASA-N 366.841 4.320 0 1 FIAF Brc1cnc(Nc2ccccc2)nc1Nc1cc(C2CC2)[nH]n1 203004264 GCIVAXQROOLJIP-UHFFFAOYSA-N 371.242 4.327 0 1 FIAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1-c1ccccc1F 223429731 CTANUMSASKECMC-UHFFFAOYSA-N 372.403 4.025 0 1 FIAF Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1O 586987685 QKYCZPMOLQOPMZ-UHFFFAOYSA-N 354.365 4.107 0 1 FIAF Sc1nc(S)c2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2n1 587053618 GQDFDKBKPDCTBS-PLNGDYQASA-N 355.275 4.408 0 1 FIAF Fc1cccc([C@@H]2C[C@H]2c2nc3cncc(Br)c3[nH]2)c1F 587152444 NJLLUAMEIPLFJM-DTWKUNHWSA-N 350.166 4.270 0 1 FIAF Cc1ccc(S(=O)(=O)[C@@H]2CCCc3c2nc2cccc4c2c3CC4)cc1 587217361 VEYOHMVFRQGVMS-HXUWFJFHSA-N 363.482 4.493 0 1 FIAF C=CC(=O)Nc1ccc(-c2nc3c(C)c(Br)ccc3[nH]2)cc1 587245052 WAYUGTTUHKHCME-UHFFFAOYSA-N 356.223 4.425 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ccccc13)([C@@H](C)O)CC2=O 587485398 SAYVZVTZSBDMBS-MCMMXHMISA-N 365.429 4.068 0 1 FIAF COC(=O)[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587522185 FFOQOXNOOZFTFR-MBSDFSHPSA-N 362.425 4.086 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CF)n2)N1 587714019 DVNXJSDGPKDYEO-JDNHERCYSA-N 353.210 4.076 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(C)(C)C)CC2)N1 587769796 QLBULTQWFDVYBP-GFCCVEGCSA-N 369.322 4.212 0 1 FIAF CCCC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815916 RFQGZPQOJZVZCO-BBATYDOGSA-N 368.290 4.487 0 1 FIAF CCc1csc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587856668 YPSHKDXXCFGQEM-CLAHSXSESA-N 355.276 4.231 0 1 FIAF CC(C)[C@H]1C[C@@]2(CS1)N[C@H](C)Cc1ccc(F)c(Br)c12 587858305 PZFFRSNRPAPAIU-ZXIHIIQKSA-N 358.320 4.479 0 1 FIAF COc1cc(OC)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1 653758326 CZEGYLAUBPILER-UHFFFAOYSA-N 365.361 4.333 0 1 FIAF COc1ccc2c(c1OC)[C@](C)(c1cc3c(s1)CCC3)N(C)[C@H](C)C2 962628067 GSBGDUHKNIQXGX-ASSNKEHSSA-N 357.519 4.394 0 1 FIAF NC(=O)N1CCc2sccc2[C@]12CCc1cc(Cl)cc(Cl)c12 962701411 APOBEPGNLJKDRQ-INIZCTEOSA-N 353.274 4.182 0 1 FIAF Cc1ccnc2c1CCN[C@H]2c1c[nH]c2cc(F)c(Br)cc12 963070600 OTKSTXMLAGKSBE-KRWDZBQOSA-N 360.230 4.008 0 1 FIAF Clc1cc(Cl)c2c(c1)[C@H](c1nc(Br)cs1)NCC2 963103860 GXNBFDCONAKGHQ-LLVKDONJSA-N 364.095 4.448 0 1 FIAF COc1ccc2c(c1)C1=CC[C@@H]3C[C@@H](OCc4ccccc4)CN3[C@@H]1CC2 1772576813 URKXWBYEBMZYFN-ZILOHOTNSA-N 361.485 4.457 0 1 FIAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H](C)[C@@]3(OC(=O)C4=C3CCC=C4)[C@H]21 2356367880 JRMOXPFUUJPSHB-OHCGZJLASA-N 352.430 4.142 0 1 FIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CCC(C)=CCO)[C@](C)(O)CC[C@H]2C1(C)C 2356438373 CLXJESZSIVHFGY-WJJPVSRMSA-N 366.542 4.240 0 1 FIAF Cn1nc(-c2nnc(-c3ccccc3Br)o2)c2ccccc21 2382247964 NXDIBRAAGBQSTF-UHFFFAOYSA-N 355.195 4.053 0 1 FIAF CC(=O)Nc1ccc(CNc2nc(NCC3CC3)nc3ccsc23)cc1 61925791 WOBFNUTZLPBFKF-UHFFFAOYSA-N 367.478 4.084 0 3 FIAF COc1cc(-c2[nH]nc3nccc(-c4ccccc4)c23)cc(OC)c1OC 206017001 AQQLFDCEJIFJNX-UHFFFAOYSA-N 361.401 4.318 0 3 FIAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4ccccc34)nc21 5841821 JKEVDPUWXLGMPH-UHFFFAOYSA-N 369.428 4.373 0 1 FIAF O[C@@]1(C2(c3ccc(Cl)cc3)CCCC2)c2ccccc2C2=NCCN21 6018578 MQDPHNCOCOWZEF-OAQYLSRUSA-N 352.865 4.073 0 1 FIAF COc1ccc(C[C@H](C)[C@@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC 14646593 JHEXMPZEYDIRNZ-SMASLZHESA-N 374.477 4.269 0 1 FIAF biogenic Cc1cccc(OC[C@@H](O)CNC(C)(C)Cc2c[nH]c3ccccc23)c1C 26729870 BBPGKESXCOQWJE-IBGZPJMESA-N 366.505 4.135 0 1 FIAF CC[C@H]1[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CCN3CC2CCC2)CC(=O)[C@@H]1C 29220520 QFHHXPQTADJUKH-ISXWBVLPSA-N 367.533 4.312 0 1 FIAF Cc1cc(=O)oc2cc(N3C(=O)CS[C@H]3c3ccc(F)cc3)ccc12 49708975 ABDZSXULNXLXKI-IBGZPJMESA-N 355.390 4.019 0 1 FIAF N#Cc1ccc2[nH]c([C@@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 51076839 CYTQXYLHLAYSKD-OAHLLOKOSA-N 370.378 4.443 0 1 FIAF biogenic O=C(O)c1ccc(Nc2nccc(Nc3ccc(F)cc3Cl)n2)cc1 87613214 OXLRVKXHGKZBOM-UHFFFAOYSA-N 358.760 4.455 0 1 FIAF CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccc(OC)c(OC)c1 95553997 JEGMZSGOJYGENU-KRWDZBQOSA-N 368.477 4.436 0 1 FIAF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]12 104352452 VQHQLBARMFAKSV-ITBHCLRTSA-N 356.462 4.400 0 1 FIAF CCOC(=O)[C@@H](Cc1ccccc1)c1ccnc2c(-c3ccccc3)cnn12 115648798 HSLNUZQMGVVRRE-IBGZPJMESA-N 371.440 4.286 0 1 FIAF COc1cc([C@@H]2O[C@H](c3cc(O)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O 299828373 IEXPORSGDXJAPE-UAFHBQARSA-N 374.433 4.208 0 1 FIAF COc1cncc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc12 586881879 YUMZEQZSGIVMOC-UHFFFAOYSA-N 359.385 4.307 0 1 FIAF Cc1ccnc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc12 587165947 INQRKPCNUUOKAF-UHFFFAOYSA-N 363.421 4.372 0 1 FIAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)on1 587343563 CRNFRKBIUPXICF-UYAOXDASSA-N 353.349 4.102 0 1 FIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587422923 RGCYCTAHNRSWRJ-ZEQUCBBFSA-N 369.848 4.067 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccc1OC)[C@@H](C2)C3=O 587423407 XZQDBRHDDOAXFA-SCLBCKFNSA-N 364.319 4.211 0 1 FIAF CCCn1nc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582035 NGALWUBJDGFZJP-NQIIRXRSSA-N 364.401 4.010 0 1 FIAF CCOC1=C(C)[C@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599594 YAPDLNBFCMLCNA-RXVVDRJESA-N 352.386 4.197 0 1 FIAF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)O1 587616492 KTZSIVQUSYXYNO-IERDGZPVSA-N 354.402 4.070 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3cccnc3c2)N1 587779634 VBYXYFPFQNLZIC-MGNBDDOMSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccnc23)N1 587801448 GMDJOCVOUHHQGL-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COCc2ccccc2)N1 587802036 PFJYULFUGMRUDQ-WBMJQRKESA-N 364.258 4.380 0 1 FIAF COc1ccc(OC(C)(C)C)n1-c1cnc(Cc2ccc(F)cc2)nc1 587946467 UYTFIIUSCJECLA-UHFFFAOYSA-N 355.413 4.183 0 1 FIAF CN(C(=O)N(C)c1cccc(NC(=O)c2ccncc2)c1)c1ccccc1 653831406 UIXMZQRRDLVPJI-UHFFFAOYSA-N 360.417 4.027 0 1 FIAF COc1ccc([C@@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1C 962573565 SNBIYAGTXNPTCX-QRQCRPRQSA-N 355.478 4.161 0 1 FIAF O=C1CC[C@]2(CCN1CC1CC1)NCCc1cc(-c3ccccc3)ccc12 962667987 NQFWEBUKSKAWAP-XMMPIXPASA-N 360.501 4.117 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(Br)c(O)c1 963259976 VLTCYORZMOPDIP-INIZCTEOSA-N 368.658 4.052 0 1 FIAF COc1ccc2c(c1)[C@@H](C[C@@H]1CCOC1)N(Cc1ccc(F)cc1)CC2 963300752 IHGMDDZXOMCBSZ-HTAPYJJXSA-N 355.453 4.360 0 1 FIAF C[C@@H](Oc1cc2onc(CCC(=O)O)c2cc1Cl)c1ccc(F)cn1 1772583430 MPAKYDUYCIKGTK-SECBINFHSA-N 364.760 4.173 0 1 FIAF CCC(C)(C)c1ccc(OCCCCN2CCN([C@H]3CCCO3)CC2)cc1 1857634445 MUJWKKKSDIUXNJ-JOCHJYFZSA-N 374.569 4.287 0 1 FIAF O=C(c1cc(Sc2ccccc2)c(O)cc1O)N1Cc2ccccc2C1 1857750305 RGAZMHUPRHCZEP-UHFFFAOYSA-N 363.438 4.405 0 1 FIAF COC(=O)C=C[C@H](C)[C@@H](C=CC1=CCC(c2csc(C(C)C)n2)=N1)OC 2356696571 GGTIUQUCNXPFEF-KBXCAEBGSA-N 374.506 4.280 0 1 FIAF CCCCN1c2ccccc2CN2CC[C@H](OC(=O)c3ccccc3)[C@@H]21 2356846311 OMQYRVGINJIUNI-SFTDATJTSA-N 350.462 4.064 0 1 FIAF CCN(CC)C(=O)c1ccc(N(c2ccccc2)C2CCNCC2)cc1 2005526 AWAZHWFNXWUHIQ-UHFFFAOYSA-N 351.494 4.059 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5921060 ZOIUUCNFVDJSJK-MDKQREFKSA-N 374.569 4.039 0 1 FIAF O=c1c(-c2cccs2)cccn1[C@H](CN1CCCC1)c1ccccc1 13436700 MSHFBNAPZPBWBU-LJQANCHMSA-N 350.487 4.262 0 1 FIAF CC(C)Cc1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651103 YDBOXDBVMJRIMU-OAQYLSRUSA-N 374.484 4.383 0 1 FIAF CCC[C@]1(O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C[C@H]1CC(C)C 13745389 IARHALMJEVDPDT-JUXOCIIHSA-N 361.526 4.200 0 1 FIAF COc1ccc(C[C@@H](C)[C@H](C)C(=O)c2ccc3c(c2)OCO3)cc1OC 14646514 GRBCXNICXUJJIW-KGLIPLIRSA-N 356.418 4.130 0 1 FIAF biogenic CCCC[C@H](O)CSC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28097279 HUOIPUKSNAXOPY-SKVMJSFJSA-N 370.555 4.266 0 1 FIAF Cc1ccccc1-n1ccc(CN2CCN(c3noc4ccccc34)CC2)c1 28126067 JGKDWKTXJSBDJD-UHFFFAOYSA-N 372.472 4.249 0 1 FIAF COc1cc(C[C@@H]2c3cc(O)c(Cl)cc3CCN2C)c(OC)cc1C 45229552 ZNSZIIRJGKKCAF-QGZVFWFLSA-N 361.869 4.143 0 1 FIAF COc1cccc(CSCCNC(=O)c2c(Cl)cccc2OC)c1 49803644 SNYNJEIDGYGZRU-UHFFFAOYSA-N 365.882 4.020 0 1 FIAF COc1cc(OC)cc(Oc2cc(NCc3cc(F)ccc3F)ncn2)c1 82067529 SJWZQCHJARMVJI-UHFFFAOYSA-N 373.359 4.176 0 1 FIAF Cc1c(C(=O)O)sc2cc(Br)c(O)c(Br)c12 84739289 UFLZBPZSKYZRRI-UHFFFAOYSA-N 366.030 4.139 0 1 FIAF CC(C)C[C@@H](C(=O)NC1CCCCC1)n1c(=O)[nH]c2cc(Cl)ccc21 96905527 HLYCAAAWTXUCLZ-KRWDZBQOSA-N 363.889 4.019 0 1 FIAF CCCC(=O)c1ccc2c(c1)sc(=O)n2CCCN1CCCCCC1 96916509 CNOGGDJSJZJWQW-UHFFFAOYSA-N 360.523 4.312 0 1 FIAF COc1ccc2c(c1)[C@H](O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2 169346077 VJVSSKLYZXAWSB-QFIPXVFZSA-N 373.452 4.153 0 1 FIAF Brc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587040883 IWDYKLAEMGMXMR-CVEARBPZSA-N 374.307 4.272 0 1 FIAF NC(=O)c1cccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587124653 KTHIAOCQQWKIMG-TWGQIWQCSA-N 363.364 4.444 0 1 FIAF COc1cc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2cn1 587164005 PUIXMJHAKWAEEX-UHFFFAOYSA-N 362.364 4.025 0 1 FIAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587240545 VPHFYGQTAQSPMG-UHFFFAOYSA-N 370.412 4.260 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)C3CCC3)c1)O2 587392416 YVJARZKPNFRFPB-JOCHJYFZSA-N 364.445 4.196 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(-c3ccccc3)cc21 587400304 MOJHDSKZTKCDMX-QHCPKHFHSA-N 370.408 4.057 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Cn1cccn1)CC2=O 587475395 LLJOFITUXXQSTC-OAQYLSRUSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3oc(C)c(C(=O)O)c31)CC2=O 587476611 CYTZYWYDMISYAB-NRFANRHFSA-N 370.401 4.141 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1coc3ccccc3c1=O)CC2=O 587485849 JNUCVQMRBLYJEG-IBGZPJMESA-N 350.370 4.158 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Cl)cc1F 587570278 UVWUIIXNKRIHQF-DNVCBOLYSA-N 371.751 4.283 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCC21CCOCC1 587609145 MGRKGVPUYDFTTF-GCJKJVERSA-N 366.413 4.073 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C(F)F)N1 587717493 LFXMQEHXIARDQP-RTHLEPHNSA-N 359.189 4.408 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)c(F)c2)N1 587725580 FCYNSHYUEFRRLV-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nn(C)cc23)N1 587761198 TWRAIQVEYCQXEV-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCCCCC2)N1 587764684 GTUISCBUOFMPCP-ACJLOTCBSA-N 369.322 4.214 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CN2CCCC2)N1 587769635 YSOQIWQVVBQWNS-YVEFUNNKSA-N 369.322 4.286 0 1 FIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(Cl)c(OC)cc3[nH]2)cc1 587783848 AYSXPFOHUIENOA-STQMWFEESA-N 356.809 4.168 0 1 FIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 587786944 TZUPDWMYFLHRLF-GHMZBOCLSA-N 362.216 4.208 0 1 FIAF COc1ccc(C[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587809013 PINNXRAWLICXSJ-ADLMAVQZSA-N 364.258 4.415 0 1 FIAF C[C@H]1CC(C)(C)CC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587818431 DDLLFGDJAJLFNS-PISHQANHSA-N 368.290 4.343 0 1 FIAF Cc1nc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1C 587855570 WQVANNJTVFSZLD-ZKANADHPSA-N 369.303 4.459 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCO1 587858055 CKCVKLMPPGWLCL-CQSZACIVSA-N 355.221 4.075 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC1CCCC1 587867514 HKQWOPQVOLLKKO-UHFFFAOYSA-N 353.344 4.193 0 1 FIAF COc1cccc(C(=O)c2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)c1 587930099 GWMZVNWWKVJZOH-UHFFFAOYSA-N 368.396 4.346 0 1 FIAF CCOC(=O)Nc1noc2cc(-c3c(-c4ccccn4)n[nH]c3C)ccc12 1772654116 WNJFMNWBKMEHFI-UHFFFAOYSA-N 363.377 4.157 0 1 FIAF Cc1c(-c2cc(F)c(N)cc2F)ccc2c3ocnc3c(=O)n(C3CC3)c12 2382224495 KBUYQPMNHBXXOV-UHFFFAOYSA-N 367.355 4.313 0 1 FIAF C[C@H](CCO)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 2382241027 IIOVYSOZNMWDPK-SNVBAGLBSA-N 369.248 4.134 0 1 FIAF Cc1cnc(NC(=O)N2CCC(Oc3ccc(Cl)c(C)c3)CC2)s1 2382246511 CYUKSRIHEFYJCJ-UHFFFAOYSA-N 365.886 4.489 0 1 FIAF Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2cnn(C(C)C)c2)C1 11712799 ADQIXXBPVKRDMH-OAHLLOKOSA-N 373.884 4.161 0 3 FIAF O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1Cc2c(-c3ccco3)ccnc2O1 61897814 JDKJKCFXKDSLQJ-MRXNPFEDSA-N 374.318 4.303 0 3 FIAF COC(=O)[C@@H]1CC[C@H]2[C@]3(CC[C@H]4C(C)(C)CCC[C@]42C)[C@H](OC)OC[C@H]13 2356376007 LAVQAESMCHBXRC-OYHRQVTPSA-N 364.526 4.417 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OCC)cc1 4049544 UIQLNZVJILJJRQ-CTNGQTDRSA-N 366.461 4.093 0 1 FIAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccccc4F)C[C@H]3F)[nH]c2cc1C 2356300386 UYWHQOKGJZEVPP-YLJYHZDGSA-N 371.431 4.058 0 1 FIAF O=C(CC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 102962959 CQMDAORAIQQFBN-UHFFFAOYSA-N 351.789 4.274 0 1 FIAF O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1ccccc1n2O 27089238 ZTNKEICYCHPDEW-NSHDSACASA-N 374.223 4.458 0 1 FIAF O=C(c1cc2c(ccc3[nH]cnc32)[nH]1)N1CCC(Cc2ccccc2)CC1 28604260 MECHQXUWFDXHDS-UHFFFAOYSA-N 358.445 4.139 0 1 FIAF COc1ccc(C[C@@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 43078673 LLZMKTGSSSXWCH-LLVKDONJSA-N 352.862 4.405 0 1 FIAF O=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12 84669081 IKDAEWKBUQVMQD-UHFFFAOYSA-N 372.815 4.354 0 1 FIAF O=C(CCN1CCN(Cc2ccccc2)CC1)c1csc2ccccc12 2382234758 BIDCHAMALLVSRK-UHFFFAOYSA-N 364.514 4.292 0 1 FIAF COc1ccccc1C[C@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1 2382250574 GWXWHLPMWSOOGG-OZWPHOJSSA-N 365.517 4.000 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccccc1O)CC2=O 587484885 OJFWBMFJNIJBGG-ZSEKCTLFSA-N 356.418 4.242 0 1 FIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 587783919 CCAHJTAHVSOMDW-QWRGUYRKSA-N 362.216 4.208 0 1 FIAF CC(C)(C)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586416 CEFUSNJXNJNLPA-VQIMIIECSA-N 364.401 4.116 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CF)(c2ccccc2)N1 587713008 BTSALKCWWCJBIO-DIFFPNOSSA-N 352.222 4.336 0 1 FIAF C[C@@H](O)c1ncc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)s1 587022687 UYGLZQSQGDHOAH-RXMQYKEDSA-N 363.748 4.292 0 1 FIAF Nc1ccc([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508919 GJUVHKBOKAQSCC-DEOSSOPVSA-N 370.452 4.452 0 1 FIAF CSc1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587094143 KYIHDGKBZHAVET-CQSZACIVSA-N 373.425 4.042 0 1 FIAF O=C(O)c1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1F 587132780 HMYZXDKGWCAIKI-UHFFFAOYSA-N 371.126 4.077 0 1 FIAF Cc1ccc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2c1 587590886 ZZPBPQGEBCCGCJ-SIKLNZKXSA-N 372.380 4.051 0 1 FIAF Nc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575782 DIVXVWCYLQDNTJ-NFBKMPQASA-N 373.408 4.168 0 1 FIAF C[C@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573717 XBAVHDVUCLLPIM-SIKLNZKXSA-N 364.372 4.494 0 1 FIAF Cc1ccc(OC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593682 MRXFXYQFKHVBRL-UXHICEINSA-N 362.381 4.110 0 1 FIAF Cc1ccc(OCC(=O)O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525951 WTBNIZDNMMZNDV-HXUWFJFHSA-N 366.413 4.044 0 1 FIAF CC[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587816556 AENLFFHWDWVMTA-WVQJBOLRSA-N 354.263 4.097 0 1 FIAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3nc(Cl)c[nH]c-3n2)cc1F 587151907 VNEPPPLYHHKYFN-HNNXBMFYSA-N 372.762 4.405 0 1 FIAF Clc1ccc2c(n1)CC[C@@]21c2ccsc2CCN1Cc1cccnc1 962995299 FOPUTTZCFFICHO-FQEVSTJZSA-N 367.905 4.440 0 1 FIAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)c(OC)c3[C@@H](O)C[C@H]21 1772625982 JMZGKSYACKOYRT-LFWOZUSOSA-N 360.494 4.493 0 1 FIAF CC(C)COc1cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2n1 13731427 SHSIEQXDSQPUEV-SJPCQFCGSA-N 368.477 4.052 0 1 FIAF O=S1(=O)Nc2c(cc(C(F)(F)F)c3cccnc23)-c2ccccc21 201618367 MSOOLRMVWCYVLY-UHFFFAOYSA-N 350.321 4.035 0 1 FIAF O=C(O)COc1ccc2ccn(CCCOc3ccc(Cl)cc3)c2c1 1857743862 SUQSBBNONUZHRP-UHFFFAOYSA-N 359.809 4.227 0 1 FIAF COc1cc2occ(-c3ccc(CN4CCCC4)cc3)c(=O)c2cc1OC 139944650 LZQNOKJATRQWGN-UHFFFAOYSA-N 365.429 4.073 0 1 FIAF C[C@@H]1CC[C@H]2[C@@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]12CC[C@@](C)(CO)O2 4143439 UJHGQFKKYLHYKM-NDCGZISHSA-N 366.542 4.291 0 1 FIAF C[C@@H]1C[C@](C)(C(=O)c2ccc3c(c2)OCO3)C=C1c1ccc2c(c1)OCO2 8682282 IOSAAFIPMQXNTE-DMZKTXOQSA-N 364.397 4.456 0 1 FIAF Cc1cc(/C=C/c2cc(Br)c(O)c(Br)c2)on1 13820005 PQGDIVHGSPWZNB-NSCUHMNNSA-N 359.017 4.384 0 1 FIAF COc1ccc(-c2cc(=O)n(CC3CC3)nc2-c2ccc(OC)cc2)cc1 26401073 BKZXEVNPUKCVRB-UHFFFAOYSA-N 362.429 4.005 0 1 FIAF O=C(O)CCCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 26575778 LAOSYOIAKYCISO-UHFFFAOYSA-N 351.324 4.365 0 1 FIAF CC(C)c1ccc(-c2ccc(F)cc2)n1C[C@@H](C)[C@@H]1C[C@@H](O)CC(=O)O1 26835127 OMUIQGPGHFNSLA-ZTQAJYAQSA-N 359.441 4.120 0 1 FIAF CC1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CN(C3CCCC3)C2)CC1 28955189 CHQPXDFUARELSN-UHFFFAOYSA-N 365.521 4.309 0 1 FIAF COC(=O)CCC(=O)Nc1cccc(COc2ccc3ccccc3c2)c1 29223549 PVCHTPHGJYEZRU-UHFFFAOYSA-N 363.413 4.311 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CCC[C@@H](N)C3)s2)o1 40834019 NTUMJMHWGWBERQ-NEPJUHHUSA-N 366.556 4.403 0 1 FIAF C[C@@H](CC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1)C(F)(F)F 71319431 WIMUGMJHEBUWGZ-JTQLQIEISA-N 373.400 4.093 0 1 FIAF CCOC(=O)c1cc2cc(-c3ccccc3)c(N(CC)CC)cc2oc1=O 72127767 GCKPHOXYYUDVKW-UHFFFAOYSA-N 365.429 4.483 0 1 FIAF CN1[C@H]2CC[C@H]1CC(OC(=O)N(Cc1ccccc1)c1ccccc1)C2 101152244 BCHOSNDXBYSKLO-PMACEKPBSA-N 350.462 4.455 0 1 FIAF CC(C)Cc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl 103196609 YWDHZTITOBBKJP-UHFFFAOYSA-N 361.917 4.500 0 1 FIAF CCOc1cc2c(cc1O)C[C@H](N=O)C[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 169716435 TWEVBMCEBNPRTH-KDBJUTIMSA-N 359.466 4.143 0 1 FIAF O=C(N[C@@H]1CCOc2ncccc21)C1(c2ccc(Cl)cc2Cl)CC1 206040459 ZUXATJFOHNDEQH-OAHLLOKOSA-N 363.244 4.060 0 1 FIAF CC(=O)c1ccc(-c2nn(C[C@@H](C)c3ccccc3)c3ncnc(N)c23)cc1 473135299 HEZVWAPSTXWGIR-CQSZACIVSA-N 371.444 4.082 0 1 FIAF CCOCc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)o1 586904069 YXMRRTUKAYSWAJ-UHFFFAOYSA-N 356.607 4.170 0 1 FIAF FC(F)(F)CCc1ocnc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587091268 CWENDZVZKKVKOJ-UHFFFAOYSA-N 351.115 4.415 0 1 FIAF N=c1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c[nH]1 587110805 KOBCUHQXUJQVEC-UHFFFAOYSA-N 374.288 4.193 0 1 FIAF COc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Cl 587117687 IKAZBRRPASZPFK-UHFFFAOYSA-N 370.762 4.366 0 1 FIAF CC(=O)NC1(c2nc3ccc(Br)c(C)c3[nH]2)CCC(C)CC1 587233815 DMMMWHURCWQHKV-UHFFFAOYSA-N 364.287 4.175 0 1 FIAF CCc1ccccc1NC(=O)c1nc2c(Br)cc(F)cc2[nH]1 587240704 IABWVEIEDIKENO-UHFFFAOYSA-N 362.202 4.279 0 1 FIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(C)ccc(C)c3[nH]2)cc1 587245262 RXKOVFBYGTXKTQ-UHFFFAOYSA-N 360.417 4.319 0 1 FIAF CCN(C(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1C 587388267 ZKGSNQAQSYZGTI-JOCHJYFZSA-N 366.461 4.053 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(Cc3cccnc3)c1C)O2 587389842 NKZPVCDKRJMIGV-OAQYLSRUSA-N 361.445 4.145 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)c1ccc(OC)c(OC)c1)CC2=O 587484074 WEHKCSUFVWRPEF-RNODOKPDSA-N 370.445 4.499 0 1 FIAF Cn1ncc2cc(F)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587510858 XSNZYQUQBCTDDG-FQEVSTJZSA-N 350.393 4.298 0 1 FIAF CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516378 CKPKPJGFLDHVIG-GOSISDBHSA-N 368.433 4.252 0 1 FIAF C[C@]1(c2ccc3c[nH]nc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595012 MFRHAQIQNWWKOJ-SIKLNZKXSA-N 372.380 4.146 0 1 FIAF CCOc1ccncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587775884 UOJAZBURAYATFP-BMLIUANNSA-N 365.246 4.006 0 1 FIAF CCC[C@@]1(CC(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813352 BUXISVHHIWJPRF-VOJFVSQTSA-N 368.290 4.487 0 1 FIAF COc1ccc(CCCc2nc3cc(Cl)nc(Cl)c3[nH]2)c(OC)c1 587929122 QZLVXRZONOOWCW-UHFFFAOYSA-N 366.248 4.457 0 1 FIAF C[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C[C@@]12NC[C@@H]1CC(=O)N(C)c3cccc2c31 963029203 POOKGXJUZYDWEF-WVYOOOCQSA-N 350.506 4.027 0 1 FIAF CCN(CC)[C@@H]1CCCC[C@]12c1cccc(Br)c1CCN2C 963288504 CLACDRGEPITWKA-MOPGFXCFSA-N 365.359 4.417 0 1 FIAF CC(C)n1ccc2c(C(=O)N=c3cc[nH]cc3)cc(-c3cccs3)nc21 1772650902 KMSZMXQRWJTAOG-UHFFFAOYSA-N 362.458 4.415 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)CCC2 1857756348 CTLDZDRQWHTHFR-OAHLLOKOSA-N 358.434 4.198 0 1 FIAF Cc1ccc(NC(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 4399982 FTMNEIDRQRUFJT-UHFFFAOYSA-N 369.509 4.246 0 3 FIAF aggregator NC(=O)c1cccc(-c2coc3c(C(=O)NC4CCCCC4)cccc23)c1 61896436 ULFRDKFIVIDPOG-UHFFFAOYSA-N 362.429 4.261 0 3 FIAF CC(=O)O[C@@H]1C[C@@H]2[C@H](C)C3=CC(=O)O[C@@H]3C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 2356335600 AXXGVIAGQXWYPN-XGJITTEESA-N 360.494 4.278 0 1 FIAF COC(=O)c1c[nH]n2c(NC3CCC(C)CC3)c(-c3ccc(C)cc3)nc12 103618223 BUYWKMSCMGEKJD-UHFFFAOYSA-N 366.465 4.415 0 1 FIAF CC(C)Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OC(C)C 103208066 KCZHABPFAWDVHB-UHFFFAOYSA-N 370.401 4.446 0 1 FIAF CCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)n1 29064131 LACBOWBBEMNPOF-UHFFFAOYSA-N 361.401 4.278 0 1 FIAF CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)cccn23)n1 28703259 NPHMIBPREUSWQP-UHFFFAOYSA-N 353.788 4.293 0 1 FIAF CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1Cl 64539405 YTLKLVQMVKRXLX-SFHVURJKSA-N 366.804 4.144 0 1 FIAF CC(=O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)c3cocc3CC[C@@H]21 2356656836 ZOMCMFCGQVIKDG-NQOGSSOHSA-N 358.478 4.448 0 1 FIAF CO[C@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 28823876 KNLGXVUCQVUDIQ-DQYWGJDHSA-N 354.494 4.120 0 1 FIAF in-vitro CCCCC[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C/C=C\CCCC(=O)O 29322024 IWSCITFBDCQRGG-IGUVKOCZSA-N 350.499 4.479 0 1 FIAF CNC(=O)[C@H](C)N(c1ccc(Cl)cc1)c1nc(C(C)(C)C)cs1 37437393 VKBSSYVTNIHZBW-NSHDSACASA-N 351.903 4.367 0 1 FIAF FC1(F)CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1 40394362 RIONPKRWAPSZLI-UHFFFAOYSA-N 352.469 4.173 0 1 FIAF Nc1ccccc1-c1nnc(C(=O)Nc2ccc3oc4c(c3c2)CCCC4)o1 43059877 HPZKHVKBKHHCPD-UHFFFAOYSA-N 374.400 4.196 0 1 FIAF aggregator CN(CCc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2)s1 95581148 ICBYGBSQWASFKP-UHFFFAOYSA-N 353.443 4.141 0 1 FIAF Cc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)nc1 96272395 UGTHQAXCCBBNQW-UHFFFAOYSA-N 358.389 4.013 0 1 FIAF COc1ccc([C@]2(c3cccc(-c4cccnc4)c3)N=C(N)CS2)cc1 96906033 JFLAZALMCCYJTK-NRFANRHFSA-N 361.470 4.062 0 1 FIAF CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2cccc(Cl)c2Cl)no1 148395514 FBSNXVYNQVEBEI-CIAFOILYSA-N 365.220 4.453 0 1 FIAF O=C(Nc1nc(-c2ccccn2)cs1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 230559469 IVSXOIHQYQLTJO-QRWLVFNGSA-N 362.458 4.011 0 1 FIAF COc1ccccc1Cc1cc2c(N)nc(-c3nc(C)cs3)nc2s1 96908906 PBOYDOVGTCZSGJ-UHFFFAOYSA-N 368.487 4.305 0 1 FIAF C[C@@H]1c2oc(COc3ccccc3)nc2CCN1C(=O)c1ccc(F)cc1 473106412 XBSIOFDNNTWSKV-CQSZACIVSA-N 366.392 4.152 0 1 FIAF CCc1cnc(-n2nc(OC(C)C)c(Oc3ccccc3F)c2C)nc1 299856038 BOKQHXDMTDZWSV-UHFFFAOYSA-N 356.401 4.252 0 1 FIAF O=C1C[C@H](Sc2cccc3ccccc23)N1C(=O)NCc1ccccc1 299857798 CZNHUAVDEZUACZ-FQEVSTJZSA-N 362.454 4.400 0 1 FIAF O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12 95593873 PIHTTXCYHKHTJB-UHFFFAOYSA-N 359.429 4.017 0 1 FIAF Cc1ccc(C(=O)O)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587528610 CSPVIRPHOTZXGF-JOCHJYFZSA-N 350.414 4.453 0 1 FIAF CC(=O)c1ccc2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2n1 587396112 WYDXCOPCABXSGT-QFIPXVFZSA-N 360.413 4.209 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CF)(c1ccc(C(F)(F)F)cc1)O2 587380084 AEAVIAUTWPQALN-QGZVFWFLSA-N 353.315 4.426 0 1 FIAF CCOC(=O)Cc1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587098603 UZHPIEDZFXVJCD-UHFFFAOYSA-N 366.314 4.493 0 1 FIAF C[C@@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376566 POTFFHXXEMFHJY-QFBILLFUSA-N 355.390 4.262 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Br)cc(C)c31)O2 587373979 WFIGDXXRWQQCEL-LJQANCHMSA-N 372.262 4.455 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccnc(Cl)c1 587658125 HCNNOEZTLJKHBP-UHFFFAOYSA-N 351.768 4.240 0 1 FIAF CCCn1nc(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587761381 AYWLNYPLMIOAKL-DYZYQPBXSA-N 366.278 4.127 0 1 FIAF COc1cccc(C2(c3nc4cc(OC)c(OC)cc4[nH]3)CCCC2)c1 587931685 CSAQRLFQHBWBCS-UHFFFAOYSA-N 352.434 4.449 0 1 FIAF CCCn1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587757374 VBOLVDLBKPYYPD-APPDUMDISA-N 351.263 4.423 0 1 FIAF Cc1ccc([C@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407349 IPVSZFYXQXIYBE-NRFANRHFSA-N 353.418 4.001 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cncc(C(F)(F)F)c3)nc2c1 587115654 USKQLGIFEXARRO-UHFFFAOYSA-N 355.703 4.084 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccnn1-c1ccccc1)CC2=O 587482139 ZFKJDTYPLLCVOI-JOCHJYFZSA-N 362.429 4.411 0 1 FIAF CC(C)COc1cc2nc(-c3cccc(CN)c3)[nH]c2cc1Br 587246882 YBSMGRONFUWUKK-UHFFFAOYSA-N 374.282 4.486 0 1 FIAF CCc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587852199 FBAXYCTYLLSHEJ-VXJOIVPMSA-N 355.276 4.231 0 1 FIAF Cc1nc(C)c(Cc2nc3c(Br)cnc(Cl)c3[nH]2)s1 587012180 PKKFKXQXFQIJFN-UHFFFAOYSA-N 357.664 4.038 0 1 FIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1 587746598 HLTLAOGTXVFBIA-BBATYDOGSA-N 363.274 4.277 0 1 FIAF C[C@H](CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)CC(=O)O 587963171 PJAMYKRLSDZZHR-SSDOTTSWSA-N 350.724 4.158 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(F)cc1Cl 587573253 YPJJYOPMMORKRC-DNVCBOLYSA-N 371.751 4.283 0 1 FIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(F)c(F)cc2[nH]1 587041764 DYCWULOLAIEETK-CQSZACIVSA-N 365.792 4.150 0 1 FIAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517753 UGOAPRGLKOKZNX-MJGOQNOKSA-N 371.477 4.299 0 1 FIAF COc1cc(OC)c2c(=O)c(Cc3ccc(C(F)(F)F)cc3)coc2c1 1772572225 RRGWFQRWTOMXKQ-UHFFFAOYSA-N 364.319 4.420 0 1 FIAF CCCCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1 14978301 ANGJWHYVGBVDTN-UHFFFAOYSA-N 370.518 4.422 0 1 FIAF CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2c3ccccc3C[C@@H]21 15952429 PTCKNXLVCDVUGX-RYQLBKOJSA-N 361.363 4.367 0 3 FIAF N=C(N)Nc1ccc(Cc2cccc(NC(=N)Nc3ccccc3)c2)cc1 169330344 CTWCABPKCWHLAW-UHFFFAOYSA-N 358.449 4.042 0 1 FIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169369356 RQTWPNKOATVIPT-KEYSHBLASA-N 352.261 4.033 0 1 FIAF COc1ccc([C@@H]2CCC[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 1857541664 DJMJJPBYLZSEBH-HOTGVXAUSA-N 358.434 4.478 0 1 FIAF CCN(CC)c1ncnc2sc(C(=O)N(C)Cc3ccccc3)c(C)c12 2925866 WUVWLXJLNNFVNM-UHFFFAOYSA-N 368.506 4.118 0 1 FIAF Nc1nc(N)c2c(CSc3ccccc3Oc3ccccc3)coc2n1 5974642 HFRGDDSRNLEAMN-UHFFFAOYSA-N 364.430 4.472 0 1 FIAF COc1cc([C@@H]2c3cc4c(cc3C[C@H](C)[C@H]2C)OCO4)cc(OC)c1OC 14641082 OZZUFLDUPKLHBA-OSRJUQGESA-N 370.445 4.401 0 1 FIAF biogenic COc1cccc(CCc2cc(O)cc(OC)c2Cc2ccc(O)cc2)c1 14811021 LNSWJKFQNMFNFL-UHFFFAOYSA-N 364.441 4.491 0 1 FIAF biogenic,in-vitro COc1c2c(cc3ccoc13)CC[C@H](C/C=C/C=C/C(=O)NCC(C)C)O2 15204171 QXUGXSMOZSERHH-LNJKRQEUSA-N 369.461 4.410 0 1 FIAF OC1CCN(CCCCOc2ccccc2/C=C/c2ccccc2)CC1 27716948 VTIKOBIRGWGEGK-OUKQBFOZSA-N 351.490 4.473 0 1 FIAF COc1ccc([C@@](O)(c2ccc(Cl)cc2)c2cncnc2)c(Cl)c1 28766709 OIYDENBDXVRHFF-GOSISDBHSA-N 361.228 4.076 0 1 FIAF Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)Cc1c[nH]c2ccccc12 28820558 BQBJLSNVBMZCLQ-GFCCVEGCSA-N 362.882 4.039 0 1 FIAF O=C1CSc2ccccc2N1Cc1nc2ccccc2n1CCCCF 28824544 UNQNLNGSGZAWAV-UHFFFAOYSA-N 369.465 4.425 0 1 FIAF CN1[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccccc1)c1ccccc1)C2 28825420 BCHOSNDXBYSKLO-WCRBZPEASA-N 350.462 4.455 0 1 FIAF CN(C)Cc1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2 40875264 BRGCQLJHZMYDHJ-UHFFFAOYSA-N 356.425 4.212 0 1 FIAF CCC1(CC)CN([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2ccccc21 45386354 PJDXWDVVDNWPJB-RTWAWAEBSA-N 356.485 4.025 0 1 FIAF O=C(N[C@H](C/C=C/c1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1 49087606 AHPKDXRZHPUWCX-PEAOBZDDSA-N 363.388 4.265 0 1 FIAF CN(C)CC[C@@]1(c2ccc(Br)cc2)Cc2ccccc2C(=O)O1 53244092 HGKMSJPGZIMPFQ-IBGZPJMESA-N 374.278 4.009 0 1 FIAF CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1 64527104 XBODVQKZKVSVAE-XDNAFOTISA-N 373.493 4.098 0 1 FIAF C[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc3ccccc3c2)o1 66123339 LFYFBJSRBRUMBD-AWEZNQCLSA-N 359.385 4.296 0 1 FIAF Fc1cccc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccccc3)cc2)c1 100101830 IUEROJDQOBGUFP-UBRQYEGLSA-N 358.460 4.433 0 1 FIAF Cc1cc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)cc(C)c1O 117566248 RMKFZDUUJFWPFL-UHFFFAOYSA-N 355.401 4.334 0 1 FIAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)c1ccccc1 142141490 QCXPJZQKUIHMPR-MAUKXSAKSA-N 360.417 4.348 0 1 FIAF C[C@]1(c2cccc(N[C@@H]3CCc4cc(Cl)ccc43)c2)COCC(N)=N1 142995584 BIQLWJAOBRCFDO-UYAOXDASSA-N 355.869 4.042 0 1 FIAF C=Cc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[nH]1 586989249 CQCUSHWWSMVKKM-UHFFFAOYSA-N 353.381 4.493 0 1 FIAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 587149840 NHZKCLPOZXZLOV-HNNXBMFYSA-N 353.788 4.299 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 587232774 ARUPBGQDVWQMLB-WCBMZHEXSA-N 371.268 4.426 0 1 FIAF Cc1ccc2c(c1)CCCN2[C@@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397983 DDKSBLPFXMNXIL-QMHKHESXSA-N 364.489 4.451 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(O)c1Cl)[C@@H](C2)C3=O 587421270 KJBZTHACRGMUTE-BTDLBPIBSA-N 351.185 4.196 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCN(CCC(F)(F)F)CC1)CC2=O 587463373 YERLFBWCULIXDO-UHFFFAOYSA-N 371.399 4.097 0 1 FIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(F)cc1)CC2=O 587466331 KHEQUKONXVDFLK-GNNUASRNSA-N 369.436 4.420 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccs1)CC2=O 587494427 LMTDBRRSPJSMRP-HXUWFJFHSA-N 374.458 4.220 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ncc[nH]1)(c1cccs1)CC2=O 587494474 LYLOVJFXAYTELV-IBGZPJMESA-N 354.431 4.038 0 1 FIAF CC(C)[C@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587779100 QFOXJKYSPSTROU-KPZWWZAWSA-N 363.274 4.417 0 1 FIAF Cc1c(O)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587822634 PUQSNYRVGRPUSJ-XYZCENFISA-N 350.231 4.226 0 1 FIAF FC(F)(F)c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cn1 587951659 XNGKBVQPCPHRPC-UHFFFAOYSA-N 351.372 4.462 0 1 FIAF COc1cc(C(=O)N2CCC(=O)Nc3ccccc32)cc(-c2ccccc2)c1 1772603006 KVWYSEGVHJLHNS-UHFFFAOYSA-N 372.424 4.351 0 1 FIAF COc1cccc([C@@](C)(O)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 61903226 SGMHIQSJAFUDGT-HXUWFJFHSA-N 371.458 4.092 0 3 FIAF O=C(O)CCCOc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3 1649438 NTFGUMGSLPDPCZ-UHFFFAOYSA-N 369.348 4.013 0 1 FIAF Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC=CC2)c1 6521911 RENOJQSPEKBDDG-UHFFFAOYSA-N 354.450 4.035 0 1 FIAF CSCC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O 12794394 ONMXFDXZXVBCJI-GFCCVEGCSA-N 369.895 4.005 0 1 FIAF O=C(NCc1nc(NC2CCCC2)c2cc(Cl)ccc2n1)c1ccoc1 14988083 XRCZXWYJTGCDCZ-UHFFFAOYSA-N 370.840 4.161 0 1 FIAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccc(C)c(F)c32)cc1OC 26665998 SYXYMGRUYXGGPS-INIZCTEOSA-N 354.425 4.062 0 1 FIAF COCOc1ccc2c(c1)[C@@H]1OC(=O)O[C@]13CCC(C)=C(CO2)C3(C)C 28478273 HWNZRBAYTUAQHG-FXAWDEMLSA-N 360.406 4.145 0 1 FIAF COc1ccc(Cn2cnc3c(-c4ccco4)nc(-c4ccco4)nc32)cc1 28877857 AIDKEMADENSSBR-UHFFFAOYSA-N 372.384 4.403 0 1 FIAF C[C@@H]1CC[C@@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 40690365 SGGGMRQESKILIB-HIVMMEFGSA-N 370.489 4.466 0 1 FIAF COc1cc(Cl)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1F 42921813 FSHMEVWJCYSWOK-MRVPVSSYSA-N 372.227 4.412 0 1 FIAF COc1cc2c(cc1OC)-c1[nH]nc(NCc3ccccc3Cl)c1C2 45286741 XRDITBBJGIFEBN-UHFFFAOYSA-N 355.825 4.264 0 1 FIAF C[C@H](OC(=O)C(Br)(C(F)(F)F)C(F)(F)F)C(C)(C)C 68573940 SAPYOWCAZJCUQV-YFKPBYRVSA-N 359.104 4.223 0 1 FIAF biogenic COc1cc(CCNc2cncc(Oc3cccc(F)c3)n2)cc(OC)c1 82068532 YGHSMKSCHOYEFI-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF CC(C)CN(C)c1ncc(C(=O)N2CCCCC2)c(-c2ccccc2F)n1 82152144 GUXMIJUMYWIIJI-UHFFFAOYSA-N 370.472 4.001 0 1 FIAF Cc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc2cccnc12 115596846 NHDZWMWWNPSGEO-AOHHAFIYSA-N 363.848 4.450 0 1 FIAF COc1ccc(-c2ncc(-c3cnc(-c4ccccc4)[nH]3)cn2)cc1OC 146718809 YFIYARHBWBZBJU-UHFFFAOYSA-N 358.401 4.218 0 1 FIAF O=C1Nc2ccc(F)cc2[C@]12C[C@@H](c1ccc(Br)cc1)N=N2 169727679 MPHVQQSSNCKSTG-GOEBONIOSA-N 360.186 4.333 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4c5nonc5CC[C@]4(C)[C@H]3CC[C@]12C 254127739 BAZMQTKNLZZEHX-JRXHGWDASA-N 358.482 4.274 0 1 FIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(N)c(N)cc3[nH]2)c1 586880646 ANQGHEFNKOOWSY-UHFFFAOYSA-N 356.429 4.242 0 1 FIAF Cc1cc(C)n(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586988083 YBVMKCUNBGWPNG-UHFFFAOYSA-N 355.397 4.013 0 1 FIAF O=C(/C=C/c1nc2cc(Cl)c(F)c(F)c2[nH]1)Nc1ccc(F)cc1 587166385 BWBNKSIUEBMJLT-AATRIKPKSA-N 351.715 4.286 0 1 FIAF O=C(/C=C/c1nc2ccc(OC(F)(F)F)cc2[nH]1)Nc1ccc(F)cc1 587166773 IUTSUUZAHYZOFW-BQYQJAHWSA-N 365.286 4.253 0 1 FIAF COC(=O)Nc1ccc(-c2nc3c(C)c(Br)ccc3[nH]2)cc1 587243325 JOZPKECNTIGQAE-UHFFFAOYSA-N 360.211 4.479 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1c(C)cccc1Cl)O2 587374665 ITDORHWPGQXLCB-FQEVSTJZSA-N 372.852 4.292 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(-c3ccccn3)nc1C)O2 587415130 XLXBTGLOHSWDGX-HXUWFJFHSA-N 365.458 4.285 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(F)cc1Cl)[C@@H](C2)C3=O 587424698 SHXACVIPMVBTGD-VOJFVSQTSA-N 350.748 4.290 0 1 FIAF CCOC(=O)[C@H](F)[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587504794 KFVAHGYZDDXORO-LYLBAIIYSA-N 374.452 4.361 0 1 FIAF CC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602631 KMPXRKBWAIWWSO-SIKLNZKXSA-N 360.365 4.298 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=COc1ccccc12 587608734 LQQOCSAITPPLHN-UGKGYDQZSA-N 358.349 4.155 0 1 FIAF CCN(CC)CCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587741658 OHKVOCUZUZYEJR-UGSOOPFHSA-N 371.338 4.460 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncoc3c2)N1 587778489 LIPRYTNDAOGWSR-XLFHBGCDSA-N 361.214 4.353 0 1 FIAF CCOC1=C(C)[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587800744 HQNYBBGZVBMRPV-BMLIUANNSA-N 354.263 4.422 0 1 FIAF Cc1nccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587804622 RUEFTEOIQTYQQK-YYSFKGJASA-N 374.257 4.397 0 1 FIAF CCC(=O)CC[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813075 MTNHOJXZAREORX-GTNSWQLSSA-N 356.279 4.487 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]2[C@@H]5C[C@H]41 587827366 KVAWFNORIYSZCN-IQZPQJSESA-N 374.297 4.096 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2)N1 587835209 VRFADZPWKCRVPT-BMLIUANNSA-N 350.231 4.092 0 1 FIAF COc1ccc2c(c1OC)[C@H](c1c(F)ccc(F)c1F)N(C)[C@@H](C)C2 962618127 BPEHTOBUHDXWHG-XTZNXHDOSA-N 351.368 4.087 0 1 FIAF CC1(C)C=Cc2c(ccc3c(=O)c(Oc4ccc(O)cc4O)coc23)O1 1772651838 NQQQSEIHGNHDSY-UHFFFAOYSA-N 352.342 4.181 0 1 FIAF Cc1ccc(COC(=O)N(c2ccccc2)[C@H]2CN3CCC2CC3)cc1F 1857562222 UPDOKFNDDXFBCH-NRFANRHFSA-N 368.452 4.372 0 1 FIAF CC(C)c1ccc(C(=O)C2CCN(C(=O)c3ccc(F)c(O)c3)CC2)cc1 1857590893 BFSWPHDXOKWWQJ-UHFFFAOYSA-N 369.436 4.390 0 1 FIAF Nc1ccccc1NC(=O)c1ccc(CN[C@@H]2C[C@@H]2c2ccccc2)cc1 1857634900 LIYQACIRFGXYBN-DENIHFKCSA-N 357.457 4.167 0 1 FIAF CO[C@@H]1O[C@H]2Oc3c(O)c(C(C)C)cc(C=O)c3[C@@]13CCCC(C)(C)[C@H]23 2356600031 WYHKLFVOHQLLTR-QEUVDIPISA-N 360.450 4.113 0 1 FIAF CC(=O)O[C@@H]1CC(C)=C[C@H](O)[C@@H](O)C(C)=CCCC(C)=CC=C1C(C)C 2356805679 VJRYFYSHAWXPQA-BDTNDASRSA-N 362.510 4.245 0 1 FIAF CC(C)CNC(=O)[C@@]1(C)CCCN1Cc1ccccc1-c1ccccc1 74388085 XHHMBKVTLCIYMW-HSZRJFAPSA-N 350.506 4.480 0 3 FIAF O=C(N/C(=C\c1ccccc1)[C@@H]1Nc2ccccc2C(=O)O1)c1ccccc1 5581821 FARCUHZSYPQOOV-MNJKBJKMSA-N 370.408 4.066 0 1 FIAF CCCCO[C@H]1C[C@@]2(c3ccc(OC)cc3)C(=O)c3ccccc3N2O1 5784068 NACNPPUWAADAGY-TZIWHRDSSA-N 353.418 4.072 0 1 FIAF O=C(NC1CCCCC1)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1 14975655 JRJFRWURMSBKJJ-UHFFFAOYSA-N 368.868 4.379 0 1 FIAF in-vitro Cc1nccn1CCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 72179503 IFDJIUKSOXJDPW-HNNXBMFYSA-N 352.409 4.345 0 1 FIAF CC[C@@H](C)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12 73224922 XYYXFQJAJGJUFD-GFCCVEGCSA-N 353.466 4.147 0 1 FIAF CC(C)Oc1ccc(-c2nc3cc(CCC(=O)O)cnc3o2)cc1Cl 84670275 VPQCOTNQPANAJR-UHFFFAOYSA-N 360.797 4.348 0 1 FIAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccc(Cl)c1Cl)CN32 100912934 QJUURDMOAUOHOG-AHWZXTKVSA-N 352.261 4.033 0 1 FIAF CN1Cc2cc(N3CCOCC3)ccc2[C@H](c2ccc3sccc3c2)C1 150226332 QLQQUDCJVQOCBW-NRFANRHFSA-N 364.514 4.315 0 1 FIAF Cc1cc(-c2c(C)[nH]n(-c3nc(-c4ccc(Cl)cc4)cs3)c2=O)on1 169330756 BPBWFEPGCHLAFF-UHFFFAOYSA-N 372.837 4.214 0 1 FIAF CC(=O)O[C@H]1C[C@@]2(O)C(C)(C)CCC[C@]2(C)[C@H]2Cc3occc3[C@H](C)[C@H]12 199898747 HOCAOPOBPZNWHL-AOBXKPQGSA-N 360.494 4.455 0 1 FIAF Cc1ccccc1-c1nc(CCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)c(C)o1 261192590 ZRIUBGGKVAZEKR-NBEIKUQISA-N 373.449 4.135 0 1 FIAF O=C(NCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2o1 473135949 LOGKFOZAEYYIAV-UHFFFAOYSA-N 362.473 4.117 0 1 FIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(Cl)c2[nH]1 587065165 LRLLUGJFHWXPLG-UHFFFAOYSA-N 351.189 4.270 0 1 FIAF COc1c(F)ccc(-c2nc3cc(C)c(Br)cc3[nH]2)c1N 587134102 HTSSWLZUVISRCW-UHFFFAOYSA-N 350.191 4.031 0 1 FIAF CCN(CC)S(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587216627 HXDCZHRPEMLHMZ-UHFFFAOYSA-N 366.486 4.031 0 1 FIAF CC(C)OCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344015 BDSSRVPGYWWXDO-FPOVZHCZSA-N 358.409 4.464 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cccc(Cl)c1)O2 587377486 IWGZYWOYSLKNKR-AQWUKCDYSA-N 356.853 4.167 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1N1C[C@@H](C)C[C@@H](C)C1)O2 587396272 RIDPTMDOTNLDRF-IALVJMBCSA-N 356.510 4.202 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ccccn3)o1)O2 587408638 CSCBXJDWNOLRRE-INIZCTEOSA-N 352.415 4.423 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCc4cccc(Br)c41)[C@@H](C2)C3=O 587417465 MQLGWXYNLKGGNL-DJJJIMSYSA-N 371.230 4.047 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(c3ccc(F)cc3)C1)CC2=O 587472933 WWUFUENMOMCWGH-NRFANRHFSA-N 355.409 4.098 0 1 FIAF Nc1ncc(C(F)(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506686 LAWHIOFAFRBEIR-MRXNPFEDSA-N 362.351 4.268 0 1 FIAF Cc1cc(C)cc(OCc2nc3c(F)cnc(Br)c3[nH]2)c1 587565130 XQQJYLZNHLQFBK-UHFFFAOYSA-N 350.191 4.055 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(F)c(F)c2)N1 587715116 HCMLCSPSAWGIOW-VGDKGRGNSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccccc2)N1 587797809 XGRWHHZEPUZPDF-KZULUSFZSA-N 364.258 4.417 0 1 FIAF COC(=O)CCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587805587 HWXKGZRZHHUJHQ-BZNIZROVSA-N 372.278 4.287 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc2ccccc2s1 587873178 VMLWNUAKVOVWAV-UHFFFAOYSA-N 367.405 4.386 0 1 FIAF COc1ccc(-c2ccc(-c3nc4c(OC)nccc4[nH]3)cc2)cc1OC 587928811 MSXBVZFABBWDGP-UHFFFAOYSA-N 361.401 4.318 0 1 FIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587934762 FZSYEGYRQRMAGB-RMLUDKJBSA-N 352.221 4.110 0 1 FIAF CC(C)=CCC/C(C)=C/CNC(=O)CN[C@@H](c1ccc[nH]1)C(F)(F)F 653803303 QJHHIFOJIFIPLA-ZGUWOUCSSA-N 357.420 4.017 0 1 FIAF COc1cc2c(cc1OC)[C@]1(CCC[C@H]([C@H]3CCOC3)C1)N(C)[C@H](C)C2 962623434 IKFBJWMOWUYYBF-TXXWUTRGSA-N 359.510 4.002 0 1 FIAF CC(C)c1nn(C)c2c1[C@@H](c1ccc(C(F)(F)F)c(F)c1F)NCC2 962920232 RAZMUMKFYODPGM-MRXNPFEDSA-N 359.342 4.076 0 1 FIAF Cc1cccc([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962970258 FZPJWCKEOBOVBH-BEFAXECRSA-N 365.807 4.097 0 1 FIAF CCOC(=O)CCC[C@@]1(c2cc(C)ccc2C)NCCc2ccc(O)cc21 963354379 XCQSCPNMVZMDNS-QHCPKHFHSA-N 367.489 4.132 0 1 FIAF C[C@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)N(C)CC(=O)O 1857651079 LOYPOHCKDCBHQV-QGZVFWFLSA-N 363.457 4.366 0 1 FIAF Cc1nc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)sc1-c1ccccc1 1857654583 VOYLTCVCUUXETJ-DLBZAZTESA-N 370.499 4.037 0 1 FIAF Clc1cccc(-c2noc3ncnc(Nc4ccc5c(c4)OCO5)c23)c1 15924800 XWYJLQKYRHEWDU-UHFFFAOYSA-N 366.764 4.411 0 3 FIAF CC1(C)CC(=O)[C@H](C[C@@H]2COC(C)(C)CC2=NNc2ccccc2)CO1 4064346 HPBUPLSCXWKXPB-HZPDHXFCSA-N 358.482 4.044 0 1 FIAF biogenic Cc1cc(C(=O)N2CCCC[C@H]2C)c2c(C)nn(-c3cccc(F)c3)c2n1 7003692 XGSDLZYXXUDTNB-CQSZACIVSA-N 366.440 4.191 0 1 FIAF Cn1cc([C@H](CN)c2cncc(/C=C/c3ccncc3)c2)c2ccccc21 14957727 SJDGHXXYFFXVPE-IRUYWQDXSA-N 354.457 4.229 0 1 FIAF COc1cccc2c1CCC[C@@H]2CCN1CCN(C2CCCCC2)CC1 22931082 SYWSXXBZIRUBHU-LJQANCHMSA-N 356.554 4.456 0 1 FIAF Cn1nc(-c2ccc(OCC(=O)O)c(Cl)c2Cl)c2ccccc21 28758958 CWQBEHJUJIDCMW-UHFFFAOYSA-N 351.189 4.011 0 1 FIAF CCOC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@@H](c1ccccc1)O2 28867312 CJXXEERSUTYUSB-SFHVURJKSA-N 350.418 4.194 0 1 FIAF CN(C)Cc1nccn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl 39416777 GSKODPHPAKZVPO-UHFFFAOYSA-N 374.271 4.472 0 1 FIAF COc1ccccc1-c1ccc(C(=O)N(CC2CC2)C[C@H]2CCCO2)cc1 40899583 LNKKBPHASIKCOF-HXUWFJFHSA-N 365.473 4.393 0 1 FIAF Cc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)c1 43079597 CRSXTGXQBKLMCN-UHFFFAOYSA-N 369.553 4.385 0 1 FIAF CCCCCNc1ncnc2c1nc(-c1ccccc1)n2C[C@H]1CCCO1 82186125 YURMEZWPNLQMQT-QGZVFWFLSA-N 365.481 4.274 0 1 FIAF CC[C@H]1[C@@H]2[C@@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC(=O)[C@@H]1C 101800538 OQUJWCCEFSDNKI-KAEPQQFISA-N 367.533 4.225 0 1 FIAF CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccccc2)ncc1Cl 142148215 GCMBOUPJULDSTC-SWLSCSKDSA-N 360.845 4.284 0 1 FIAF Brc1cc2[nH]c([C@H]3CCOC3)nc2cc1OCc1ccccc1 586911965 MXOWGLMAXICSGX-ZDUSSCGKSA-N 373.250 4.408 0 1 FIAF CC(C)CCOc1ccc(Br)cc1-c1nc2cncnc2[nH]1 586982431 XGOMFTZJTTYEFG-UHFFFAOYSA-N 361.243 4.207 0 1 FIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587068663 ATEIYQQMNMZDKT-VIFPVBQESA-N 355.656 4.203 0 1 FIAF CC[C@H](C)n1cc(Cl)c(-c2nc3cnc(Br)cc3[nH]2)n1 587078784 BCQRHWKLVJDDFM-ZETCQYMHSA-N 354.639 4.208 0 1 FIAF Nc1c(F)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1F 587135215 VHAJQMPSNXXNID-UHFFFAOYSA-N 360.108 4.131 0 1 FIAF Cc1cnc(Cl)c2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 587167714 QULSDJNANXKCOY-CYBMUJFWSA-N 373.819 4.428 0 1 FIAF COc1cccc([C@@]2(C(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441213 FKMHEINKJJHICC-VGOFRKELSA-N 352.430 4.393 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ncccc1C(F)(F)F)CC2=O 587464035 GXZUXDHVOSUWJP-OAHLLOKOSA-N 351.324 4.465 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CSCCc3ccccc31)CC2=O 587494468 KCNZFOGJTSQNPQ-OAQYLSRUSA-N 354.471 4.495 0 1 FIAF O=C1C[C@H](c2ncccc2Br)Oc2c1ccc1c2CCCC1 587504198 QEQOWUVZRWMEBW-MRXNPFEDSA-N 358.235 4.429 0 1 FIAF CCOC(=O)[C@@H]1CCC[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587527568 XRZPBEUXQDHKNL-JXXFODFXSA-N 356.462 4.269 0 1 FIAF Cc1ccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc2c1 587584893 BNTUIQYVGTZSKU-DENIHFKCSA-N 372.380 4.051 0 1 FIAF CCCOc1cccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587779021 SUKLHEGIWHHZPJ-UHFFFAOYSA-N 370.762 4.356 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn(C)c2ccccc12 587871578 KGVXLPANUBHQOT-UHFFFAOYSA-N 363.392 4.268 0 1 FIAF C[C@H](C[C@]1(c2ccccc2)c2c(F)cccc2C[C@H]2CCCN21)C(=O)O 963106807 NQWANKKPMLGBGB-LDJQZATESA-N 353.437 4.201 0 1 FIAF Cn1cc(C(=O)Nc2ccc3nc[nH]c3c2)c2ncc(-c3ccccc3)cc21 1857543434 HCVCCNOGNXYCIS-UHFFFAOYSA-N 367.412 4.369 0 1 FIAF O=C(NC1CC1)c1ccc(-c2cnc3cnc(-c4ccsc4)cn23)cc1 1857610918 RQNYTMIMCDFPPN-UHFFFAOYSA-N 360.442 4.017 0 1 FIAF O=C(Nc1ccccc1F)N1CCOc2ccc(-c3ccncc3)cc2C1 2382244340 SWCCJWZJURVVSG-UHFFFAOYSA-N 363.392 4.314 0 1 FIAF O[C@H](CCCN1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1 27732695 PNNXSSFXGRVLBA-OAQYLSRUSA-N 356.416 4.318 0 1 FIAF COc1ccc(-c2nc(CC(=O)O)sc2-c2ccc(OC)cc2)cc1 29252007 YIEWCXWSYMQASC-UHFFFAOYSA-N 355.415 4.121 0 1 FIAF CCCCC[C@H](O)[C@@H](/C=C/[C@H](O)CCCCCCCC(=O)O)OCC 33820377 IEEBTNFNSJRPDT-KZCHHRLSSA-N 358.519 4.065 0 1 FIAF C[C@]1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NCc2ccccc2)=NO1 45319560 XWXVIHWBOYDKDN-TXTKFYIRSA-N 362.473 4.411 0 1 FIAF O=C(O)C1=CCCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64454250 SKOALCKWENTDHG-RDGATRHJSA-N 373.496 4.341 0 1 FIAF O=C1c2sc(COc3ccccc3)nc2CCN1c1ccc(F)cc1 96283918 WGPTWSWAWPQOGX-UHFFFAOYSA-N 354.406 4.064 0 1 FIAF COc1cc2sc(-c3c(-c4cccc(F)c4)n[nH]c3N)nc2cc1F 114399365 PYBQETIYZPINDU-UHFFFAOYSA-N 358.373 4.222 0 1 FIAF COCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(F)cc1)[C@@H]23 169333645 MRGISMWDRZRRMZ-ADHNFCLRSA-N 374.544 4.317 0 1 FIAF C=C(c1ccc(Br)cc1)c1sc(N2CCCC2)nc1O 169687313 ODRHJNDZCJCJTE-UHFFFAOYSA-N 351.269 4.273 0 1 FIAF CCCCC/C=C/[S@@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O 169729683 BPNZEGWGYBZOFC-FPVCCHAOSA-N 364.463 4.470 0 1 FIAF CC/C(=C(/CC)c1ccc(OCCO)cc1)c1ccc(OCCO)cc1 473152455 UJJYWQMRLMGNIU-QURGRASLSA-N 356.462 4.160 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586962562 GHKGNTLBHFBYFH-LURJTMIESA-N 372.347 4.167 0 1 FIAF O=C(O)c1cccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587077404 SMVPKFDVSJOMJF-MRXNPFEDSA-N 355.825 4.252 0 1 FIAF Clc1ccc2c(c1)C[C@@H](c1nc3c(Br)ccnc3[nH]1)O2 587081166 UCSMZZMZXLNMIF-NSHDSACASA-N 350.603 4.050 0 1 FIAF CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@@H]1C 587106724 NNJMWBUMIYQZES-SUMWQHHRSA-N 371.436 4.360 0 1 FIAF CC[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587356788 RUZZPXMYDZJPAJ-ICNNEYJISA-N 354.377 4.018 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1C(=O)O)O2 587409480 VLDTZCFVUSWYJW-QHCPKHFHSA-N 373.408 4.184 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3nc(Cl)ccc31)CC2=O 587462099 PGVRKINVFOYQKC-IBGZPJMESA-N 358.825 4.069 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CC[C@H](C(=O)OCC)CC1)CC2=O 587479310 HNOGUBVXZYALLX-NJSLBKSFSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCN(Cc3cccs3)CC1)CC2=O 587493045 FRTKOTGBAXUFPF-UHFFFAOYSA-N 371.502 4.406 0 1 FIAF Cc1cc(Cl)ncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553231 ULIUSTMGSXERTF-XLIONFOSSA-N 367.788 4.452 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1ccccc12 587612131 UHTAKYIQMSLJNG-KNQAVFIVSA-N 360.365 4.032 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)sc2C=O)N1 587738642 PTEGXZXLIMJSKP-NZFNHWASSA-N 372.234 4.225 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN=O)(c2ccccc2)N1 587743172 WFSGXYSLFLOBPU-DIFFPNOSSA-N 363.230 4.132 0 1 FIAF CCn1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587755206 GSJWXYROCBOYAV-VVVCHXIZSA-N 366.278 4.045 0 1 FIAF Cc1nn(C(C)C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587763769 MHCHDKMTJICCHK-BTDLBPIBSA-N 366.278 4.298 0 1 FIAF CCC(=O)CC[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814202 RURDVLHLTHFVLU-GTNSWQLSSA-N 356.279 4.487 0 1 FIAF CC(=O)C[C@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814964 JIXHLFDLGVICBZ-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF CC[C@]1(C2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587834853 MQENYTUAZZHQQL-PIGZYNQJSA-N 356.279 4.154 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCOC(C)(C)C2)N1 587835606 WLHKPSLAWWSGST-XAGWURHQSA-N 356.279 4.369 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)CC2 587936104 AMCWNLHYWSVEMU-AWEZNQCLSA-N 362.408 4.169 0 1 FIAF CN(C)Cc1cccc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961617070 SWVGFMJKNJNEAU-IBGZPJMESA-N 371.322 4.278 0 1 FIAF O=C(O)[C@]1(c2ccc(F)c(F)c2)NCCc2cccc(-c3ccccc3)c21 962667743 VIDOAHSGHNEMQI-JOCHJYFZSA-N 365.379 4.106 0 1 FIAF CN(C)c1ccncc1-c1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 1772619700 WLRXNHYQRHNYJP-UHFFFAOYSA-N 364.474 4.287 0 1 FIAF COc1ccc(NC(=O)C2CCN(c3nccc(C)c3C)CC2)cc1Cl 1857534136 VCEUAFOKUYEKCM-UHFFFAOYSA-N 373.884 4.216 0 1 FIAF CC=C[C@@H]1Oc2c(-c3ccccc3)cn(OC)c(=O)c2[C@H]2[C@@H]1CCC[C@H]2C 2356618928 ORZSZSIBAZFLLT-WSTLGDPDSA-N 365.473 4.431 0 1 FIAF O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1)c1cccc(F)c1 1368847 PLGNJYPQGPSPRO-NHCUHLMSSA-N 352.453 4.141 0 1 FIAF CCN(CC)CCOc1ccccc1O/C(=C/c1ccccc1)[C@@H](C)O 1846830 YBMSPXHTBCHFJU-YMNYDYPGSA-N 355.478 4.208 0 1 FIAF COc1ccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)cc1 3814326 ZADGRKLNRFXWQT-UHFFFAOYSA-N 371.444 4.016 0 1 FIAF COC1(OC)CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=O)CC[C@@]4(O)[C@@H]3CC[C@@]2(C)C1 13399798 XHSWJTDGBUQZOI-VRZUIGOHSA-N 364.526 4.092 0 1 FIAF biogenic CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCc1ccccc1 13475369 WRVUVUSXKPMOPJ-IBGZPJMESA-N 371.521 4.355 0 1 FIAF COc1cc2nc(-c3ccc4c(c3)CN(C)C4)cc(O)c2cc1-c1cnco1 13487622 QPSUHCLGMNBTSM-UHFFFAOYSA-N 373.412 4.216 0 1 FIAF CC(=O)Nc1ccc(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)cc1 16474816 ZJVHVRJRYKNARK-KRWDZBQOSA-N 364.489 4.171 0 1 FIAF CC(=O)O[C@@H]1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 26579498 VZHJNLMLCLYEGB-JOCHJYFZSA-N 351.446 4.184 0 1 FIAF CCCCCC[S@](=O)C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28018873 DXUUKSQGPDLBMH-SNYDQIIOSA-N 370.555 4.310 0 1 FIAF CCCCOc1ccc(C(=O)n2c(C)cc3c(CC(=O)O)cccc32)cc1 28361429 HSIPEEIFZHZSBZ-UHFFFAOYSA-N 365.429 4.444 0 1 FIAF CCOC(=O)C1=C(N)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 98083857 CBRPVWSOPWWIKQ-SFHVURJKSA-N 355.384 4.312 0 1 FIAF COc1cccc2c1CCC/C2=C\CCN1CCN(c2ccccn2)CC1 100046623 MEJDASWPPCVZOR-UFWORHAWSA-N 363.505 4.022 0 1 FIAF CCOC(=O)c1ccc(OC[C@@H](Oc2ccc(C)nc2)C(C)(C)C)cc1 103199259 GXFYMUBNSFWUKQ-LJQANCHMSA-N 357.450 4.439 0 1 FIAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccncc2)C2=C(O)CCCC2=N1 104075710 CUADLHIXHJBBRW-LJQANCHMSA-N 352.434 4.376 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@]1(CCCO1)C3 586991829 QDNHTHNPPSLZHI-QHCPKHFHSA-N 357.409 4.190 0 1 FIAF FC1(F)Oc2cc3nc([C@H]4SCCc5sccc54)[nH]c3cc2O1 587036615 HPLSKJBNPSUIHX-ZDUSSCGKSA-N 352.387 4.325 0 1 FIAF CCOC(=O)c1ccc2nc(-c3cc(NC(C)=O)ccc3Cl)[nH]c2c1 587048775 ABAIYFXVYBJGAN-UHFFFAOYSA-N 357.797 4.018 0 1 FIAF Fc1cc(Br)c(Cl)cc1-c1nc2nc(Cl)c[nH]c-2n1 587136489 JCSSGFDHGBPCJW-UHFFFAOYSA-N 361.989 4.180 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1N1CCCC1)[C@@H](C2)C3=O 587421799 NDTKYDGLKYYZKM-LHSJRXKWSA-N 369.848 4.438 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Cl)cc(C)cc21 587459448 DKQWQGDIYNUQSZ-HXUWFJFHSA-N 371.820 4.119 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccc(F)c1)CC2=O 587465524 FIMAWSRSYHDWBH-NRFANRHFSA-N 371.408 4.237 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](CCc1cccc(OC)c1F)CC2=O 587466811 OGUZLJJAEGHXIK-AWEZNQCLSA-N 358.409 4.459 0 1 FIAF O=C1C[C@](c2ccccc2)(c2cncnc2)Oc2c1ccc1c2CCCC1 587514862 KOXJFASNMMCKSH-QHCPKHFHSA-N 356.425 4.264 0 1 FIAF Nc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542818 AGWFTGJNZKZKRR-YLJYHZDGSA-N 367.788 4.331 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCC(F)(F)F 587547479 LOWWQELJQIALOP-DZGCQCFKSA-N 352.308 4.455 0 1 FIAF CCn1c2ccccc2c2cc(-c3ccc4c(O)nc(O)nc4n3)ccc21 587556704 CVOBARVTAAOYPX-UHFFFAOYSA-N 356.385 4.231 0 1 FIAF O=C(Cc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660786 UDFJOQXGBAGNCD-UHFFFAOYSA-N 358.372 4.086 0 1 FIAF CCN(CC)c1ccc(-c2nn(C(C)C)c(=O)c3ccccc23)c(O)c1 587664199 CINAZJXAPDFATR-UHFFFAOYSA-N 351.450 4.196 0 1 FIAF COc1cc(F)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587727072 AAQXNLZPBQSFOC-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CN2CCCC2)N1 587769634 YSOQIWQVVBQWNS-SJKOYZFVSA-N 369.322 4.286 0 1 FIAF COc1cccc(OCc2ccc(-c3nc4cnc(OC)cc4[nH]3)cc2)c1 587780943 ADULDBWLVWNNKH-UHFFFAOYSA-N 361.401 4.221 0 1 FIAF COC[C@@]1(C2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587798205 YOPMSQJFPHJNBB-DIFFPNOSSA-N 356.279 4.154 0 1 FIAF Cc1ccnc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587802378 LWIUOVDJQVRSDT-QGHHPUGFSA-N 374.257 4.397 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Cl)ccc1O 587871520 YFHHFBPJTMIKCP-UHFFFAOYSA-N 360.772 4.135 0 1 FIAF CCc1ccc(-c2cnnc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1 587876108 ZDFUETSKJFKSLB-UHFFFAOYSA-N 359.364 4.199 0 1 FIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C(=N)N)cc3[nH]2)cc1 587938698 ZATVUHIOXZWHHJ-HXUWFJFHSA-N 356.429 4.036 0 1 FIAF O=C1CCC(c2ccccc2)(c2nc3ccnc(Br)c3[nH]2)CC1 587970566 KLENLWYLYSFVND-UHFFFAOYSA-N 370.250 4.150 0 1 FIAF COc1ccc(-c2cc(C(=O)NC[C@@H](C)c3ccccc3)co2)cc1OC 621431154 UOLYDLUYSPPICS-OAHLLOKOSA-N 365.429 4.497 0 1 FIAF Cc1c(F)ccc2c1[C@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)NCC2 962299512 OGHYUBKVKPYGDN-INIZCTEOSA-N 350.478 4.357 0 1 FIAF CN1CCc2c(Br)cccc2[C@@H]1c1c(Cl)ncnc1Cl 963290501 XJPOVSRMUKQUJW-GFCCVEGCSA-N 373.081 4.123 0 1 FIAF CCc1ccc(-c2cc(NCCc3ccc(OC)cc3)n3ncnc3n2)cc1 1772601502 WBRXTQMOJSBSDP-UHFFFAOYSA-N 373.460 4.017 0 1 FIAF O=C1[C@@H](Oc2ccccc2)[C@H](c2ccncc2)N1c1nc2ccccc2s1 1772630443 SJNTWDFBFVLXMN-OALUTQOASA-N 373.437 4.227 0 1 FIAF CCC=CCC=CCC=CCC=CCCCCC(=O)OC[C@H](O)CO 2356510421 YICVZGXPPMTJCG-HXUWFJFHSA-N 350.499 4.248 0 1 FIAF COc1cc([C@H](c2ccc(OC)c(OC)c2)[C@@H](C)[C@@H](C)CCO)ccc1O 2356782585 JWXWYLISMAKORK-AYSMAOOMSA-N 374.477 4.205 0 1 FIAF CCCc1cc(C(=O)OC)cc(Cl)c1O[C@@H](C(=O)O)c1ccccc1 13539269 BYRCOLHSDXCBKC-QGZVFWFLSA-N 362.809 4.284 0 1 FIAF CC(C)c1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1 13600485 GDHNFARVEVSHJD-UHFFFAOYSA-N 358.445 4.084 0 1 FIAF Cc1noc(C)c1CN(C(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 13636194 VVZGPQIKDROWTH-FRQCXROJSA-N 355.507 4.361 0 1 FIAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@@H]2CCCCC[C@H]12 28523430 UASWVEYKVQSSHS-LEWJYISDSA-N 365.521 4.033 0 1 FIAF COc1ccc2c3c1O[C@@H]1CC[C@H](C)[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@@]341 40690092 WBROHQFHMPKJBH-KFHOKMDASA-N 353.506 4.171 0 1 FIAF Cc1nc(-c2ccccn2)nc(N2CC[C@H](c3ccccc3)C2)c1Cl 40898904 FXMPDDYIOUCHHX-INIZCTEOSA-N 350.853 4.494 0 1 FIAF NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1C1CCCCC1 45337224 MUQOWMZMUVGSPN-FQEVSTJZSA-N 359.901 4.176 0 1 FIAF OC1=NC(=S)S/C1=C\c1ccc(OCCCN2CCCCC2)cc1 49032904 IWHWCNPQWQHGCP-SSZFMOIBSA-N 362.520 4.271 0 1 FIAF NCCCCN(Cc1cc2ccccc2cn1)[C@@H]1CCCc2cccnc21 49088328 ITTTWLONGNMMSU-JOCHJYFZSA-N 360.505 4.248 0 1 FIAF O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(F)cc12 63540302 AMVPASHAQNNOFN-UHFFFAOYSA-N 350.275 4.432 0 1 FIAF Cc1ccc([C@H](O)CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 73138031 AMNZZXVPVQXDDQ-HFTQHKIXSA-N 350.245 4.165 0 1 FIAF Cc1ccccc1CNc1ncnc2c1nc(C(C)C)n2C[C@H]1CCCO1 82180447 ZGGIPXKPIKGDMC-QGZVFWFLSA-N 365.481 4.049 0 1 FIAF CCCCN(C(=O)c1ccc(F)cc1)c1nnc(-c2cccnc2)s1 84604574 VIAGWBYMKUJUDC-UHFFFAOYSA-N 356.426 4.186 0 1 FIAF Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cc(Cl)ccc1F 95565825 OUPSFIQLPJSHFE-UHFFFAOYSA-N 371.843 4.141 0 1 FIAF CC[C@@H]1SCCC(=O)N1CCCNc1ccnc2cc(Cl)ccc12 98082411 QIVKXEKUBFRDMD-SFHVURJKSA-N 363.914 4.392 0 1 FIAF O=C(c1cc(Br)c[nH]1)N(Cc1cccc(F)c1)CC1CCC1 103232597 JCCLBCZUAUAZBY-UHFFFAOYSA-N 365.246 4.359 0 1 FIAF Cc1c(Cc2ccc3ccccc3n2)c(-c2ccccc2)nn1CC(=O)O 103238020 IUCXRMYHYNSKOA-UHFFFAOYSA-N 357.413 4.082 0 1 FIAF O=C1N(c2cc(Cl)nc(C3CC3)c2)CCN1c1cnccc1C1CC1 144349241 RRHPTBQQHCZPJM-UHFFFAOYSA-N 354.841 4.331 0 1 FIAF COc1cc(F)c2[nH]c(=O)c3sccc3c2c1-c1ccc(CN)cc1 150003306 TURVZGIJONYUHU-UHFFFAOYSA-N 354.406 4.016 0 1 FIAF O=C1c2cc(-c3ccc(C4CC4)cc3)ccc2OCCN1Cc1ncccn1 206219973 GAWAEEHCJNODHR-UHFFFAOYSA-N 371.440 4.056 0 1 FIAF CCCC[C@H](O)CSC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253685111 HUOIPUKSNAXOPY-BLMTXSOBSA-N 370.555 4.266 0 1 FIAF O=C1c2ccc(C(F)(F)F)cc2O[C@@H]2c3[nH]c4ccccc4c3CCN12 473087343 FDZNMYFQLJPXNP-GOSISDBHSA-N 358.319 4.276 0 1 FIAF Cc1cc(Cl)cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 586998140 XVMNJVMLDPEFBU-CQSZACIVSA-N 351.631 4.369 0 1 FIAF Clc1cccnc1-c1nc(-c2nc3cc4cn[nH]c4cc3[nH]2)cs1 587016698 AOUGTPMPAAEJAF-UHFFFAOYSA-N 352.810 4.278 0 1 FIAF Fc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1F 587081517 BCZSNAOIJRMSHU-UHFFFAOYSA-N 360.751 4.395 0 1 FIAF COc1ccc(-c2nc3cc(C)c(Br)cc3[nH]2)c(Cl)n1 587086280 DQMGPELOIORVBZ-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF COc1cncc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587151689 SXENVCVKLPWMPY-LJQANCHMSA-N 367.355 4.413 0 1 FIAF COc1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1 587203860 OYXOYBAOXKYCJA-UHFFFAOYSA-N 366.421 4.089 0 1 FIAF CC(C)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341187 WPLUORNLJDJLGS-LAEIETDRSA-N 369.436 4.360 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1cscn1)O2 587414719 VEGIVPXVTGWKMQ-IBGZPJMESA-N 366.442 4.319 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)nc1)CC2=O 587464513 RSODMVRJUCDSIX-HNNXBMFYSA-N 351.324 4.465 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1C[C@@H]1CCCO1)CC2=O 587471520 SONPKFUDWYXZQI-VBKZILBWSA-N 355.434 4.032 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOC)cc1)CC2=O 587480450 JWRSQWWPXQIWRG-FQEVSTJZSA-N 356.418 4.076 0 1 FIAF CSc1ncc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587533680 UTOGKJRGJSCIKC-FQEVSTJZSA-N 354.475 4.266 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ncoc2c1 587589220 WIYUOPNEZDNGML-WIYYLYMNSA-N 359.337 4.236 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCN(C)C)N1 587740438 JZOHJHPOWDJTPN-SJCJKPOMSA-N 357.311 4.070 0 1 FIAF CC(C)c1nn(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587761411 BGCWESACJZVQSJ-BMLIUANNSA-N 366.278 4.069 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccccc3n2)N1 587779656 VHKSWRRYEGJRGW-MGNBDDOMSA-N 372.241 4.155 0 1 FIAF Oc1c(Br)ccc2nc(COC/C=C\c3ccccc3)[nH]c12 587780783 IOXOSAQRNHASRK-DAXSKMNVSA-N 359.223 4.261 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3c[nH]cc32)N1 587792631 PSADSQYTBMVFAP-ADLMAVQZSA-N 363.274 4.421 0 1 FIAF COc1ccc(OC)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1OC 587798862 WXHGJRJDXSXRBW-UHFFFAOYSA-N 352.312 4.275 0 1 FIAF Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1NC(=O)C1CCOCC1 653829413 XNEIMUPGRSKHIN-UHFFFAOYSA-N 364.367 4.320 0 1 FIAF COc1ccc2c(c1)[C@H](c1ccn(CC3CCCCC3)n1)N[C@H]1CC[C@H]21 962995960 NUCUXKAATCIRKC-KAGYGMCKSA-N 351.494 4.411 0 1 FIAF CCO[C@H]1C[C@]2(c3ccsc3CCN2Cc2cccnc2)C12CCC2 963009299 LZPLSARYVGTSJE-FPOVZHCZSA-N 354.519 4.376 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1c[nH]c2nccc(Cl)c12 963050073 XVSIREGUABVPRC-IBGZPJMESA-N 364.836 4.008 0 1 FIAF Cc1[nH]c2c(C)cccc2c1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963238339 YLRVHJWMQSNQLO-DENIHFKCSA-N 371.440 4.021 0 1 FIAF Cc1cc(O)c(C)c2c1Oc1c3c(cc(C)c1C(=O)O2)OC(C)(C)OC3 2356325432 XOGWIERIESLULB-UHFFFAOYSA-N 356.374 4.287 0 1 FIAF CCC(CC)C(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccccc1 2724144 YTQMOCUADAVAEU-NRFANRHFSA-N 350.462 4.301 0 3 FIAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3cc(F)cc(F)c3)cs2)c1 205231610 YHAAXFDCWRXVKE-GOSISDBHSA-N 374.412 4.322 0 3 FIAF COc1ccc(N(CCC2CCN(Cc3ccccc3)CC2)C(C)=O)cc1 3814245 GIWNUIFQOLHQBQ-UHFFFAOYSA-N 366.505 4.350 0 1 FIAF CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 4179479 QPQWEZDEJJESTO-CLWVCHIJSA-N 367.367 4.337 0 1 FIAF Cc1cccc2c1N(C(=O)/C=C\C(=O)O)[C@H](c1c(C)[nH]c3ccccc13)C2 5722808 DTNZRPUSXRQORW-LENZSSGSSA-N 360.413 4.056 0 1 FIAF O=C(CCCCCCS(=O)(=O)c1ccc2ccccc2c1)c1ncco1 13587173 HPOWSZHURLAZJB-UHFFFAOYSA-N 371.458 4.435 0 1 FIAF O=C(O)c1ccc2c(c1)[C@H]1CCN[C@H](Cc3cccc4ccccc34)[C@@H]1N2 26669393 FPRFIUYLFZQUHW-STZQEDGTSA-N 358.441 4.020 0 1 FIAF Cc1cc(-c2ccc(Cl)cc2)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1 27655209 YUDMEWWJTJHMSU-NXVGNOFTSA-N 357.837 4.099 0 1 FIAF CCOC(=O)N1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1 27725036 WMNWXHQXKGCUKL-UHFFFAOYSA-N 356.372 4.423 0 1 FIAF C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)cc(CCC)c4c2O1)C(=O)[C@@H](C)CO3 29133743 UIJRPYBDNDLRCA-COWJPUMTSA-N 366.413 4.307 0 1 FIAF CCC(=O)O[C@H](C)OC(=O)[C@@H](C)c1ccc2c(c1)Oc1ccccc1CO2 29221734 YWAQBGVTMMVZGE-KBPBESRZSA-N 370.401 4.317 0 1 FIAF O=C1C(CCOCCC2=C(O)c3ccccc3C2=O)=C(O)c2ccccc21 68604434 AGQSWQFQJLZVMT-UHFFFAOYSA-N 362.381 4.114 0 1 FIAF biogenic O=C(C[C@@H]1C(=O)N(c2ccccc2)C[C@@H]1c1ccccc1)Nc1ccccc1 72141735 UQFPHFQMGDRYTH-FCHUYYIVSA-N 370.452 4.462 0 1 FIAF CCOC(=O)C1=CC[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccc(OC)cc1 95784204 CYPZEDKFFISYKJ-ICSRJNTNSA-N 350.414 4.171 0 1 FIAF O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1 100391876 LDQTVSTXBDCFCN-KREFBHGWSA-N 374.484 4.329 0 1 FIAF CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccccc1 103277237 MNHKXPAQAMSFGY-UHFFFAOYSA-N 358.401 4.341 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C[C@@H]2CC[C@@H]1N2C 169360713 IHKXUTSLFDCINU-FKVLARQCSA-N 365.473 4.102 0 1 FIAF CC(C)[C@H](CO)NCc1nc(C2=CC[C@H](C(F)(F)F)CC2)ccc1F 204414391 HOSRLMMWTBJSRE-GUYCJALGSA-N 360.395 4.073 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H](OCC)[C@@H](O)CCCCCCCC(=O)O 231929901 BHDZXVBBVBHNKG-ZCLIZIHASA-N 358.519 4.065 0 1 FIAF COC(=O)[C@H]1[C@H](c2ccc(-c3ccc(OC)cc3)cc2)C[C@H]2CC[C@H]1N2C 253863712 IHKXUTSLFDCINU-ZDFPQIBNSA-N 365.473 4.102 0 1 FIAF CCCOc1cc(/C=C/C(=O)O)ccc1OC(=O)CCc1ccccc1 299829702 VCXCZBZDGUJEIX-FMIVXFBMSA-N 354.402 4.111 0 1 FIAF COc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1C 587075603 FMHBIDAFSQEJGD-UHFFFAOYSA-N 368.824 4.369 0 1 FIAF CC(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587115978 HUIZYZXRCAAMJR-UHFFFAOYSA-N 356.307 4.395 0 1 FIAF O=C(O)c1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587137795 LQRVWIQKXMVMIZ-UHFFFAOYSA-N 369.577 4.483 0 1 FIAF CCc1ccccc1NC(=O)c1nc2c(Br)cc(C)cc2[nH]1 587241259 RYJSEWPBEOLGCZ-UHFFFAOYSA-N 358.239 4.449 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587242852 VMWJTKJOVSDDLO-UHFFFAOYSA-N 351.303 4.270 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)cc(OC)c1OC)[C@@H](C2)C3=O 587419258 KOMRAYPVQKKGAN-RNODOKPDSA-N 374.820 4.029 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccccc1)CC2=O 587478366 ARZMUYKXQAEQRD-NRFANRHFSA-N 354.402 4.070 0 1 FIAF CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C 587525692 QYGHMDYUOPEGLC-YGHRGLEHSA-N 356.462 4.269 0 1 FIAF CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587529297 NDUUWYMZMARYRQ-KEQGGVEFSA-N 356.462 4.426 0 1 FIAF COc1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568114 CWOAGVODYZJZBC-NQIIRXRSSA-N 366.344 4.243 0 1 FIAF CCc1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587614772 UEUOWIBCNAIZLJ-CRAIPNDOSA-N 353.399 4.114 0 1 FIAF CC[C@H](C)c1ccc2[nH]c(-c3cn(C)nc3C)c(CN3CCOCC3)c2c1 587641520 GWFQKBCTSZXTCB-HNNXBMFYSA-N 366.509 4.223 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3o2)N1 587779118 QGUDVZMYUOAWQX-JDNHERCYSA-N 361.214 4.353 0 1 FIAF COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)cc1O 587786163 IYNCVAWLZUWPJF-UHFFFAOYSA-N 360.369 4.340 0 1 FIAF CCCC(=O)O[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587790134 FSJLQIKSVZKQRB-AGKHESDQSA-N 372.278 4.069 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3c[nH]nc23)N1 587793016 JGAQHPBPZWCYJB-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCCC(=O)O)N1 587825720 DXUHANJAAXVXPH-APPDUMDISA-N 372.278 4.373 0 1 FIAF O=C(O)/C(=C\c1ccccc1O)c1nc(-c2cc(F)ccc2F)cs1 587921626 LNHMJEVOJRBWMI-QPEQYQDCSA-N 359.353 4.419 0 1 FIAF CC(C)COc1cc2[nH]c(/C=C/C=C\C(=O)O)nc2cc1Br 587966867 YWCHLIGVPUYYAR-UZNMPDEFSA-N 365.227 4.014 0 1 FIAF COc1ccccc1C=CC1=NC(=Cc2ccc(SC)cc2)C(=O)O1 1857616638 WYOWJDZMDODQHB-UHFFFAOYSA-N 351.427 4.427 0 1 FIAF CC1CCN(C[C@@H](NC(=O)c2ccc3cc(O)ccc3c2)C(C)C)CC1 1857632541 IRXBLRUTLZHJMP-OAQYLSRUSA-N 354.494 4.032 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1C(C)(C)[C@@H](O)CC[C@@]12C 2356599644 HKWVZPQQUZNBOF-ZALSBGIRSA-N 350.499 4.011 0 1 FIAF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)O)[C@@H]2CC[C@H](C)C[C@@H]2C(=O)[C@@]1(C)O 2356718795 GVNQXZBVWDAWQB-DGOWTBJYSA-N 360.494 4.158 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC=C3C(=O)OC[C@@H]3[C@@]21C 2356805774 ZWZMTHHYZPZYFQ-ZCPVAAPISA-N 360.494 4.280 0 1 FIAF Oc1cccc(-c2nc3/c(=N/c4ccc(F)c(Cl)c4)[nH]ccc3[nH]2)c1 74386772 UXYKBSKQAMENMZ-UHFFFAOYSA-N 354.772 4.289 0 3 FIAF C[C@H]1[C@@H](OC(=O)NC2CCCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712029 PPYVXXGXBWDKBW-CNTRQJEFSA-N 362.514 4.005 0 3 FIAF COC(CN(C=O)[C@@H](c1ccc(Cl)cc1)c1cc2ccccc2o1)OC 1661927 AZYRBWYTIVGKAD-FQEVSTJZSA-N 373.836 4.253 0 1 FIAF COc1ccccc1-c1ccc2ncnc(NCc3cnc(C)cn3)c2c1 4266047 QRWFSUABPUTEEE-UHFFFAOYSA-N 357.417 4.016 0 1 FIAF CC(=O)c1cccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3CC(C)C)c1 4886503 PVWFPVREPQVZNU-IHWFROFDSA-N 357.498 4.052 0 3 FIAF COc1cc(OC)cc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(C)=O)c1 53299011 IFBBHVRVNLEUFC-NRFANRHFSA-N 352.434 4.018 0 1 FIAF CCCCC[C@H](O)[C@H](/C=C/[C@@H](O)CCCCCCCC(=O)O)OCC 115330338 IEEBTNFNSJRPDT-AFVPESNESA-N 358.519 4.065 0 1 FIAF COc1ccc(C(=O)c2c(C)n(C3CCN(C)CC3)c3ccccc23)cc1 26284307 ASUNRQBGPMKSMU-UHFFFAOYSA-N 362.473 4.456 0 1 FIAF CN(C)C(=O)Oc1ccccc1OCCOc1ccc(C(F)(F)F)cc1 103205122 NQCYWEMQNUHCIY-UHFFFAOYSA-N 369.339 4.224 0 1 FIAF CC(C)=CCC/C(C)=C/COCc1cn(-c2cccc(C(=O)O)c2)nn1 66078527 AYCBPVMMAFBCTE-MHWRWJLKSA-N 355.438 4.175 0 1 FIAF CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)cs1 61929808 DBHIWNXUNICQOD-KRWDZBQOSA-N 362.376 4.453 0 3 FIAF COc1ccc(C2=C(Nc3cc(Cl)cc(Cl)c3)COC2=O)cc1 72114785 HFOHCHKJWSETDU-UHFFFAOYSA-N 350.201 4.382 0 1 FIAF COc1ccc(CCN2C(=O)CS[C@@]23CCc2cc(Cl)ccc23)cc1 38149927 DSPYKXQCHVMBSD-HXUWFJFHSA-N 373.905 4.266 0 1 FIAF Cc1nccc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1 224835218 RSJAPUZSOHVSEK-UHFFFAOYSA-N 373.391 4.423 0 1 FIAF COc1cc(C(=O)c2csc(-c3ccccc3F)n2)cc(OC)c1OC 40914046 GKGQSCNRTIXHHF-UHFFFAOYSA-N 373.405 4.206 0 1 FIAF COc1oc(C[C@@H](O)CCCCCCc2ccccc2)c(C)c(=O)c1C 49784548 ARDHEUHDTIAYGF-IBGZPJMESA-N 358.478 4.362 0 1 FIAF CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(N)cc2)[nH]c2ccccc12 473082494 IRBKZECFNNYDSQ-UHFFFAOYSA-N 363.461 4.248 0 1 FIAF FC(F)(F)c1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1 299826241 ZQANRRWCHKJCDD-UHFFFAOYSA-N 365.399 4.417 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCCC[C@H]2O)N1 587834107 QVKPOJNYLRVVMB-SSKCKEOISA-N 356.279 4.033 0 1 FIAF CCCC(CCC)C(=O)c1c(CO)oc2cc(Br)cnc12 587273085 HQYAAKYAJOXBPJ-UHFFFAOYSA-N 354.244 4.482 0 1 FIAF Cc1cc(Br)c2[nH]c(/C=C3/OC(=O)c4ccccc43)nc2c1 586906518 NGEWCWULCVYOOD-RIYZIHGNSA-N 355.191 4.302 0 1 FIAF C[C@]1(CC(=O)Nc2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506392 RVJAQMHBPZAFRM-JOCHJYFZSA-N 367.420 4.457 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ncc(-c4ccc(C)c(C)c4)o1)[C@@H](C2)C3=O 587436152 MPGHGHHPMJFVHV-KKSFZXQISA-N 361.397 4.456 0 1 FIAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587572094 NFRGVICYOHBIKZ-KNQAVFIVSA-N 361.397 4.161 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(O)ccc32)N1 587834695 SVWYTESFNGFOMG-YPMLDQLKSA-N 362.242 4.018 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1Cl 587546988 RQYKRJQKFXFLSF-PXNSSMCTSA-N 368.772 4.454 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(Cl)n2)N1 587856060 XSYYVHCQEQFVJX-INWYIAFRSA-N 361.667 4.322 0 1 FIAF O=[S@](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)CC1CC1 586960748 XWBBNEVIZXXZAQ-VWLOTQADSA-N 367.499 4.498 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2nc(O)ccc21 587491036 RDNJIKQAJSKHNK-JOCHJYFZSA-N 367.445 4.278 0 1 FIAF C[C@H]1CC(C)(C)CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587818430 DDLLFGDJAJLFNS-CSJMPQKXSA-N 368.290 4.343 0 1 FIAF Fc1cncc(Cl)c1Cc1nc2ccc(Br)c(F)c2[nH]1 587176373 QPOQOJYSPMXRSQ-UHFFFAOYSA-N 358.573 4.243 0 1 FIAF CCOC(=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587160860 GGXKFDPGRGPBAJ-UHFFFAOYSA-N 363.186 4.308 0 1 FIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3ncc(Br)cc3[nH]2)n1 587079555 JFWCGWBFRNZZFY-SSDOTTSWSA-N 354.639 4.208 0 1 FIAF COc1cc(F)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587733663 RRCMRAPLYHGLLG-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(C(C)C)cc4)c1)[C@@H](C2)C3=O 587433417 XSWLNOCGVSVJFI-CVDCTZTESA-N 374.440 4.493 0 1 FIAF O=C(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)OCc1ccccc1 587782628 WDOFBEDPDHUHKW-UHFFFAOYSA-N 366.364 4.461 0 1 FIAF C[C@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545142 GLOCWFYSMKONDN-DOMZBBRYSA-N 374.261 4.310 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccncc1CC3 586987816 HIBAOZVAFCHUPA-UHFFFAOYSA-N 350.377 4.312 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(F)cc2Cl)N1 587732390 MEFGGNSDHVZLQU-NZFNHWASSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)OC(C)(C)C)N1 587790188 GIEOUOUYRUIKGI-DYZYQPBXSA-N 372.278 4.069 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2N)N1 587845453 RCSSIEDXULKBKH-VXJOIVPMSA-N 355.276 4.030 0 1 FIAF CC1(C)C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587358540 WORDCHAMFSCURO-GHTZIAJQSA-N 356.393 4.218 0 1 FIAF CN1C(=O)C[C@H]2CN[C@H](c3cc(-c4ccco4)cs3)c3cccc1c32 963023306 JPZBMEVGSABEMW-YUNKPMOVSA-N 350.443 4.151 0 1 FIAF CC(C)C(=O)C[C@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962641033 MXYXYWKZHAVTNL-XUZZJYLKSA-N 362.517 4.264 0 1 FIAF CCCOc1ccc2c(c1)C(=C(Br)Br)OC2=O 1857636352 CXFJPWVDPWIYHI-UHFFFAOYSA-N 362.017 4.062 0 1 FIAF C[C@@H]1N=C(c2ccc(Cl)cc2Cl)Nc2nc3ccccn3c2C1=O 1772644910 IROBBHPDWUSAOJ-VIFPVBQESA-N 359.216 4.085 0 1 FIAF CCCC/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(Oc2ccccc2)c1 13558162 HPNMUKFVYSVURS-DTQAZKPQSA-N 366.417 4.196 0 1 FIAF CCn1c(=O)n(CC)c2cc(-c3c[nH]nc3-c3ccc(F)c(C)c3)ccc21 14958537 GOYIWGNKBULYBS-UHFFFAOYSA-N 364.424 4.347 0 1 FIAF C[C@@H](C[18F])OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N(C)C2 169292640 ZSLWUVZDXDAKIP-VNSGRDOFSA-N 352.868 4.055 0 1 FIAF O=N[C@@H]1CCc2cc(-c3cn([C@@H]4CCC[C@H]4O)nc3-c3ccncc3)ccc21 169686102 KWDGJDFHCLCZOX-NJDAHSKKSA-N 374.444 4.452 0 1 FIAF Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-n1ccnc1 205947689 VTOBGTLKLODAIL-UHFFFAOYSA-N 361.323 4.332 0 1 FIAF Cc1nc(NC(=S)Nc2ccc(Br)cc2)c(C)c(C)c1O 1857639915 ZEAWIBRNPFGIQW-UHFFFAOYSA-N 366.284 4.284 0 1 FIAF C[C@@H](c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccncc3)nc21 222082410 KUCORTCSFFEDPM-ZDUSSCGKSA-N 370.391 4.185 0 1 FIAF O=C1C[C@]2(CCCc3ccccc32)OC(=O)[C@@H]1SCc1ccccc1 13766444 OAFGWMQMAKOFHH-CTNGQTDRSA-N 352.455 4.036 0 1 FIAF O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1ccccc1 26577431 ORQDMAFGWBEJCJ-UHFFFAOYSA-N 365.436 4.399 0 1 FIAF N[C@@H](C/C=C(\c1ccc2ccccc2c1)c1ccc(F)cc1F)C(=O)O 28768596 DLLMZUUUVDJRNI-ZUNINTSYSA-N 353.368 4.352 0 1 FIAF COc1cccc(C(=O)/N=c2\sc(C(C)(C)C)c(C)n2CC2CC2)c1 28954330 JQVUKWSUYPRATD-VZCXRCSSSA-N 358.507 4.315 0 1 FIAF CCCCc1ccccc1C(SCCC(=O)O)SCCC(=O)O 29230426 XCPQQRYDVDUQGM-UHFFFAOYSA-N 356.509 4.444 0 1 FIAF O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)cc1)c1ccccc1CO 35814515 FVPLZFJOCQVBPV-AATRIKPKSA-N 368.429 4.321 0 1 FIAF CCOc1ccccc1-c1nc(CNCc2cccc(OC)c2OC)co1 72101893 NJFSIENWSXVSEO-UHFFFAOYSA-N 368.433 4.047 0 1 FIAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCSc2ccccc2)[C@H]1C 100038059 DQLTVNNYTKSQMI-UFZXGQNFSA-N 361.463 4.123 0 1 FIAF O=C(O)c1ccnc(-n2nccc2O[C@H]2CCCc3cc(Cl)ccc32)c1 146922543 MYEIDQDVSWLKKZ-INIZCTEOSA-N 369.808 4.075 0 1 FIAF COc1ccc(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)cc1 147025338 ZVBXEEQAMRJRMZ-UHFFFAOYSA-N 352.522 4.483 0 1 FIAF COc1ccc(-c2csc(-c3c(O)cn(C(C)C)c3N)n2)cc1OC 169688299 DDYBWEWXZFPZRG-UHFFFAOYSA-N 359.451 4.165 0 1 FIAF COc1ccc(Nc2cc3c(-c4cnn(C)c4)cccc3cn2)c(OC)c1 207610643 SEROCBXXHACDIM-UHFFFAOYSA-N 360.417 4.396 0 1 FIAF in-vitro CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@]3(C)CC)nc2c1 586888442 JHFIAIIUHSRZJA-QLJPJBMISA-N 351.244 4.406 0 1 FIAF N[C@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1Cl 587056648 KEIHXOWAZZIFKV-GFCCVEGCSA-N 368.637 4.360 0 1 FIAF Fc1nc(Cl)ccc1-c1nc2cccc(I)c2[nH]1 587177174 AXRPLRJOSULNSB-UHFFFAOYSA-N 373.556 4.022 0 1 FIAF Cc1cc(C)c(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)c1 587273641 NAYMYVJRUCOAHN-UHFFFAOYSA-N 374.234 4.239 0 1 FIAF C[C@]1(c2cncc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340699 YULRHEQEBMJNBU-TZIWHRDSSA-N 367.351 4.340 0 1 FIAF C[C@]1(c2c(F)c[nH]c3nccc2-3)CC(=O)c2ccc3c(c2O1)CCCC3 587508276 OULQJYYTBMHGOT-OAQYLSRUSA-N 350.393 4.413 0 1 FIAF COC(=O)c1cc(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528113 ZRWZJNAUBPIPGU-HXUWFJFHSA-N 350.414 4.367 0 1 FIAF O=C1C[C@](c2ccccc2)(C2(C(=O)O)CC2)Oc2c1ccc1c2CCCC1 587529848 QORYMYPQCQLXHX-QHCPKHFHSA-N 362.425 4.291 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(Cl)c1 587551608 HMEPLUWZGXMTOD-VQIMIIECSA-N 353.761 4.144 0 1 FIAF CC(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)no1 587588282 SEBQZQSEODCEGU-PXNSSMCTSA-N 351.358 4.207 0 1 FIAF CC(=O)CC[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599189 DEMFERRJQHUHRA-NQIIRXRSSA-N 354.402 4.118 0 1 FIAF CC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602628 KMPXRKBWAIWWSO-DENIHFKCSA-N 360.365 4.298 0 1 FIAF CCCN1C(=O)[C@@](O)(c2c(C)[nH]c3cc(Cl)c(F)cc23)c2ccccc21 587632181 RSBXXIRHEGQUPT-FQEVSTJZSA-N 372.827 4.261 0 1 FIAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587719037 OQISJCUZZNKRFA-HUTHGQBESA-N 368.221 4.360 0 1 FIAF Cc1nc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc1C 587850425 DULXQDYWJICYBV-BCTVWOGZSA-N 369.303 4.459 0 1 FIAF Cc1ncc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587856767 XXHRXRLDTFIWKF-VXJOIVPMSA-N 355.276 4.151 0 1 FIAF COc1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1F 587868640 QLXRKCVAXGDDOK-UHFFFAOYSA-N 367.302 4.109 0 1 FIAF CC(C)Oc1cc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2cc1Br 587961929 HGRUOWDYPVCOMY-GHMZBOCLSA-N 365.271 4.270 0 1 FIAF Cc1ccc(-c2nnn(CCCN3CCC[C@H]3c3ccc(F)cc3)n2)cc1 1857570360 GKBJOIZWLMOAFB-FQEVSTJZSA-N 365.456 4.015 0 1 FIAF CN1CCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)CC1 1857571460 WMPSFVBNWOMJKI-UHFFFAOYSA-N 356.441 4.106 0 1 FIAF Brc1ccc(Cn2c(Cn3ccnc3)nc3ccccc32)cc1 1857573120 JPWVWOAGUCXZLR-UHFFFAOYSA-N 367.250 4.092 0 1 FIAF Cc1cnc(NC(=O)N2CC[C@@H](N(C)c3ccc(Cl)c(C)c3)C2)s1 2382244238 GMPUXSMAVAFMMB-CQSZACIVSA-N 364.902 4.156 0 1 FIAF CCN(CC)CCCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4940307 WNWBKQHCJXCPDE-UHFFFAOYSA-N 373.928 4.229 0 3 FIAF O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C2CCSCC2)C1 13596170 DMPRDLOPHVEHAX-AWEZNQCLSA-N 357.441 4.496 0 3 FIAF COc1cccc(CNc2nc(NCC3CC3)nc3ccsc23)c1OC 61897732 KCLORRYCIDBKPU-UHFFFAOYSA-N 370.478 4.143 0 3 FIAF COc1ccc2c(c1)[C@](C)(Cc1ccc(C(=O)c3ccccc3)cc1)C(=O)N2 61908403 QSNSSISTTPZONT-DEOSSOPVSA-N 371.436 4.379 0 3 FIAF O=S(=O)(c1cccs1)N1CCCc2nc(-c3ccc(F)cc3)ccc21 199724792 PXDFDQIBGWKUAX-UHFFFAOYSA-N 374.462 4.091 0 3 FIAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[C@@H](C)[C@@H](C)C2=O 14447719 AQILVQJBVWGDOL-ZBUHCNDUSA-N 354.402 4.033 0 1 FIAF biogenic CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cccc(F)c23)CC1 14977280 LPEZGDFBIWWFNL-UHFFFAOYSA-N 372.528 4.346 0 1 FIAF CC(C)(C)c1cc(-c2cn3ncc(=O)nc3s2)cc(C(C)(C)C)c1O 26508047 LFPZRJGMGGLCKX-UHFFFAOYSA-N 357.479 4.119 0 1 FIAF C[C@@H]1C(c2ccc(Cl)cc2)=[N+]([O-])c2cc(-c3cnc(N)nc3)ccc21 28395985 SJXIVSIRJRHJQE-NSHDSACASA-N 350.809 4.127 0 1 FIAF O=C(O)c1cc2c(cc1O)-c1[nH]c3c(F)ccc(C(F)(F)F)c3c1CC2 34893619 VVXPIDMGMDCIEU-UHFFFAOYSA-N 365.282 4.495 0 1 FIAF O=c1c(Cl)c(CSC(=S)N2CCCCC2)oc2ccccc12 43062854 HOTZQDOHODGGDC-UHFFFAOYSA-N 353.896 4.450 0 1 FIAF CCc1cc2c(s1)Nc1ccc(SC)cc1N=C2N1CCN(C)CC1 53092942 FLIKOGPDUXCQHK-UHFFFAOYSA-N 372.563 4.415 0 1 FIAF OCCN(Cc1ccccc1)c1cc(Oc2cccc3ccccc23)ncn1 82067407 VMDBOFFCDIOVFE-UHFFFAOYSA-N 371.440 4.421 0 1 FIAF C[C@H]1Oc2ccc(CN3CC=C(c4ccc(Cl)cc4)CC3)cc2NC1=O 96274121 UXKGKMDPTXLNNA-CQSZACIVSA-N 368.864 4.349 0 1 FIAF Brc1ccccc1Cn1c(CN2CCCC2)nc2ccccc21 96285114 QNJQBPMKKGIQKU-UHFFFAOYSA-N 370.294 4.443 0 1 FIAF C=CC1=CO[C@]23CC[C@H]1[C@@]2(C)CC[C@H]1[C@H]3CC[C@]2(O)C[C@@H](O)CC[C@]12C 96933541 KIRLHPHUEPKCDT-PSYBGMFNSA-N 358.522 4.344 0 1 FIAF CNC(=O)[C@H](OC)c1cccc(COc2cc(Cl)cc(Cl)c2)c1 103199575 BBGFVXYXLCGNDA-MRXNPFEDSA-N 354.233 4.006 0 1 FIAF COc1cc2c(C)nc(O)c(Cc3ccnc4ccccc34)c2cc1OC 141922567 KHPZXZKEZFZUQS-UHFFFAOYSA-N 360.413 4.405 0 1 FIAF NC(=O)c1ccccc1-c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144739820 ZEEQFWHRPDMMGY-HXUWFJFHSA-N 369.342 4.231 0 1 FIAF COC(=O)c1cccc2nc(Cc3ccc(Br)c(C)c3)[nH]c12 586977003 LSQMOTJVPUQPTG-UHFFFAOYSA-N 359.223 4.011 0 1 FIAF CCn1ncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C 586987875 UGZGLRGIPLUFQM-UHFFFAOYSA-N 355.397 4.344 0 1 FIAF CCOC(=O)Cc1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 587032616 LJRUWMOMXXTFQT-UHFFFAOYSA-N 352.415 4.256 0 1 FIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cnc3ccccc3c2[nH]1 587116626 JRIBPXZLZSVFHJ-UHFFFAOYSA-N 351.719 4.184 0 1 FIAF CC(=O)N[C@@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(C)cc1 587206048 JSZWYGBVVDOTFX-ZDUSSCGKSA-N 363.795 4.223 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cccc(Cl)c1C)O2 587375366 LNQAGSVYYAIVAB-HXUWFJFHSA-N 372.852 4.292 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cnn3C)cc1F)CC2=O 587471966 NMPKGOHKSGYZSY-LJQANCHMSA-N 354.381 4.077 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C)CC2=O 587484905 OPCWJJGBHWOGRU-RCCFBDPRSA-N 374.477 4.292 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3c(C)cccn13)CC2=O 587491457 SJMGDLWZTBZYTC-GOSISDBHSA-N 350.418 4.316 0 1 FIAF Cn1ccnc1C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514446 YKIBROHKFGNFSI-DEOSSOPVSA-N 372.468 4.402 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604990 WPGNLASQMZAUCA-LYLBAIIYSA-N 366.413 4.262 0 1 FIAF COc1cc(F)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587727118 ANNLXANQUIDJLK-HUTHGQBESA-N 368.221 4.360 0 1 FIAF CCOc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587855400 VKBMWLKYLGLYAQ-XLKFXECMSA-N 371.275 4.067 0 1 FIAF Cc1c(Br)ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12 587969620 RGPCVQQEXAVFDO-DIPXRFRJSA-N 359.267 4.281 0 1 FIAF Fc1cccc([C@]2([C@@H]3CCNC3)NCCc3cccc(-c4ccccc4)c32)c1 962666277 JLNOLGKITURWCL-PXDATVDWSA-N 372.487 4.492 0 1 FIAF CC[C@H](Cc1ccc(O)c(OC)c1)[C@@H](CC)[C@@H](O)c1ccc(O)c(OC)c1 2356304700 BBZFADZHJBEXSO-JLDZCNIISA-N 374.477 4.444 0 1 FIAF CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)C[C@H]1C=C(C)C(=O)O1 2356661461 CCBYKOUIUXULII-AWEZNQCLSA-N 366.369 4.126 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(CCc3ccccc3)cc2)C[C@H]2CC[C@H]1N2C 100921487 XCAGZFQBRONDCI-ODAXIHTASA-N 363.501 4.211 0 1 FIAF CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccnc2)C2=C(O)CCCC2=N1 104003902 WOSJWYKINFOXHU-FQEVSTJZSA-N 374.444 4.232 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2CO[C@@H]1C2 26378801 LQANGKSBLPMBTJ-UIFRNXECSA-N 350.499 4.336 0 1 FIAF O=C(Nc1ccc(F)cc1)[C@@H]1C(=O)N2c3ccccc3CCc3cccc1c32 26162836 UHFWUSNPOWCNRQ-HXUWFJFHSA-N 372.399 4.325 0 1 FIAF Cc1ccc2nc(C[C@H]3CN(C4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356564459 PPLVNFSBVJZJIS-SJORKVTESA-N 369.509 4.159 0 1 FIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H](C)[C@]23CCC(=CC(=O)O)O3)C1(C)C 2356571969 LLSQOJBRINBUMN-UMMCAFOLSA-N 364.482 4.308 0 1 FIAF C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(C(=O)O)c2)cs1 61928281 ZQEZRLPMMKHBSC-GOSISDBHSA-N 361.369 4.042 0 3 FIAF COc1ccc(Cl)cc1-c1ccc2c(c1)COCC(=O)N2CC1CC1 74374938 PEYNQSOTVMFCOS-UHFFFAOYSA-N 357.837 4.289 0 3 FIAF CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C\C[C@@H]21 40465098 ABTCSIQGTDHHEP-PCOZGWLOSA-N 364.526 4.159 0 1 FIAF O=C(NCC1CCNCC1)c1cc(Cl)ccc1-c1cccc(Cl)c1 49035529 YREQTOUHEARFMW-UHFFFAOYSA-N 363.288 4.390 0 1 FIAF O=C1CC2(N3CCCC3)C[C@H](c3ccccc3)C(N1)[C@@H](c1ccccc1)C2 40753123 JQAFGLIAXMGYMK-WXYTXABISA-N 360.501 4.071 0 1 FIAF O=c1[nH]c2cc(Nc3ccccc3)ccc2n1Cc1c(F)cccc1F 40576522 OJSJLVAERDYMNU-UHFFFAOYSA-N 351.356 4.400 0 1 FIAF CCCC[C@@H]1O[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2N1C 199737615 OAMQJBTXWGETBA-NHWIGJJZSA-N 367.537 4.322 0 3 FIAF Cc1cc(NC(=O)c2cccs2)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1 96922462 QDYLERBISXXLCK-WMZOPIPTSA-N 369.534 4.372 0 1 FIAF CC[C@@H](NC(=O)c1c(Cl)[nH]c2c1CCCc1ccccc1-2)[C@H]1CCCN1 145902736 YHKJDVSRCXMZHV-IAGOWNOFSA-N 371.912 4.084 0 1 FIAF in-vivo CCc1cnc(-n2nc(OC(C)C)c(Oc3ccc(F)cc3F)c2C)nc1 299861243 HZBAKCCNINMCGY-UHFFFAOYSA-N 374.391 4.391 0 1 FIAF N=C(N)c1ccc2oc(/C=C/C=C/c3cc4ccc(C(=N)N)cc4o3)cc2c1 2382222395 UTLBYWBKMCMZPS-ZPUQHVIOSA-N 370.412 4.474 0 1 FIAF CN(C)c1cc2[nH]c(Cc3ccccc3)nc2cc1NC(=O)c1ccccc1 2382236466 NVOYVRAHEJNCAZ-UHFFFAOYSA-N 370.456 4.472 0 1 FIAF CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2ccc([C@H](C)CC)cc12 587643562 GJLXXXXKFQUIPQ-CYBMUJFWSA-N 350.418 4.489 0 1 FIAF COc1cccc(-c2cc(-c3no[nH]c3=N)nc3c2oc2ccccc23)c1 587363480 RSNAPMGNHBYIGG-UHFFFAOYSA-N 358.357 4.119 0 1 FIAF CCOC(=O)c1ccc(-n2nc(-c3cccc(F)c3)cc2OCC)cc1 587871118 AMPJAAJGNISUAX-UHFFFAOYSA-N 354.381 4.254 0 1 FIAF CC[C@H](C)n1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587758338 INAVIOOHTLHXJR-PSVSLLHZSA-N 366.278 4.379 0 1 FIAF OCCc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159481 QUCYTOFHCKAUNL-UHFFFAOYSA-N 372.403 4.243 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3cccc(F)c3)c1)CC2=O 587467750 RASBFIFWLGWIJM-HXUWFJFHSA-N 366.392 4.376 0 1 FIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)n1 587080960 VZNLQNPBOVIZSR-SNVBAGLBSA-N 358.808 4.376 0 1 FIAF COc1ccc(N)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1OC 587512315 WSSFAECZWWZTAF-QFIPXVFZSA-N 367.445 4.045 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3nccc-3c2)N1 587804017 QPEHOGFQCLZLKO-MLCYQJTMSA-N 374.257 4.214 0 1 FIAF Cc1[nH]c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587789051 BJLFXAVJQNASJT-CQLKUDPESA-N 351.263 4.465 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2[nH]c(=N)sc21 587494210 JIKYZEWZCUHPFA-FQEVSTJZSA-N 372.490 4.047 0 1 FIAF Cc1cc(C)c2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2c1 587074310 RUOPBRYWGNJEOJ-UHFFFAOYSA-N 351.841 4.448 0 1 FIAF CC(C)Oc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587040970 KXKIOLOVVIVZFM-RTBURBONSA-N 353.491 4.296 0 1 FIAF CCOC(=O)[C@@H](c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523623 LFSDRPKXFORDIN-RTWAWAEBSA-N 364.441 4.246 0 1 FIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(Br)c(O)c2[nH]1 587196989 FYJLOFATZONIJP-SNVBAGLBSA-N 360.255 4.249 0 1 FIAF C[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 587606170 BXZJWYXKYGEPGA-HCVAFPHWSA-N 374.392 4.420 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)cc1Br)O2 587385886 QUJDFIGPRWLIIU-HNNXBMFYSA-N 350.187 4.185 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(F)c2F)N1 587721164 PAGJRRXHNYAKHG-GYKQLYQFSA-N 372.184 4.196 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc4ccncc14)[C@@H](C2)C3=O 587422330 YLOAWKYHQOIOAX-RBZFPXEDSA-N 351.789 4.386 0 1 FIAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cncnc3[nH]2)c(Cl)c1 587159037 LJPAGHPYKOSKTH-INIZCTEOSA-N 354.772 4.314 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1-c1ccc(F)cc1)CC2=O 587471935 MTLRSIAVPAKKTG-HXUWFJFHSA-N 366.392 4.376 0 1 FIAF O=C(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)OCc1ccccc1 587782043 PEQPBFFPMDOHSW-UHFFFAOYSA-N 352.287 4.007 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1csc(-c4ccc(O)cc4)n1)[C@@H](C2)C3=O 587453808 ZPVKBOICRYUAGA-LIRRHRJNSA-N 365.410 4.013 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c(-n2ccnc2)nc2ccccn12 963232297 RHXVCGRQQAQLKN-LAUBAEHRSA-N 371.488 4.266 0 1 FIAF CCCCN(CC)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167570799 UIRDHJIUZIUPCQ-UHFFFAOYSA-N 365.477 4.497 0 1 FIAF Cc1ccoc1C(=O)Nc1ccc(-c2[nH]c3ccccc3c2C(N)=O)cc1 1772607039 BXNXVUOLJBPCNA-UHFFFAOYSA-N 359.385 4.088 0 1 FIAF CC[C@H](C)CNC1CCN(c2nc(C)c3cc4c(cc3n2)CCC4)CC1 11813930 NPCKKKYMYWSCKL-HNNXBMFYSA-N 352.526 4.031 0 1 FIAF CC(=O)c1cccc(CN2CCC[C@@](CO)(CCc3ccccc3)C2)c1 12586984 YJARTKHQPOLKOI-HSZRJFAPSA-N 351.490 4.097 0 1 FIAF COCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 13528702 QZNZFXRSQOFXSI-UHFFFAOYSA-N 374.238 4.161 0 1 FIAF COc1cccc(-c2ccc(NC(=O)c3cocc3C(=O)O)c(F)c2)c1 14960696 NMZKMXURRGQBPG-UHFFFAOYSA-N 355.321 4.045 0 1 FIAF CN(c1ccccc1)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 169341288 RHZSFLZSMCKFFU-UHFFFAOYSA-N 365.521 4.494 0 1 FIAF CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2cccs2)cc1 836810 UUVBGFWWLRWVAV-UHFFFAOYSA-N 372.393 4.228 0 1 FIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@H](C)[C@H](C)[C@H]3O 5807475 YPUTYHJWWMYIGF-VNBZBWLYSA-N 372.461 4.300 0 1 FIAF biogenic CC1(C)O[C@@H]1CC[C@]1(C)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12 13376497 NARMSCOFUYUPNJ-WWMYMODYSA-N 370.401 4.033 0 1 FIAF biogenic c1ccc(-c2cc(OCCCCCc3nnn[nH]3)nc3ccccc23)cc1 13729687 RAEYLPWCYDFNTG-UHFFFAOYSA-N 359.433 4.207 0 1 FIAF Cc1ccc([C@@H]2OC(=O)O[C@@]3(c4ccc(C)cc4)CCN(C)C[C@@H]23)cc1 13804581 BGZGKVAVORWNIY-JAXLGGSGSA-N 351.446 4.359 0 1 FIAF O=C(c1cc(COc2cccc3cnccc23)on1)N1CCCCCCC1 14980527 ZSKVLUYJJXKSSX-UHFFFAOYSA-N 365.433 4.208 0 1 FIAF CCCC[C@](C)(O)C1=CC[C@@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@@H]3C1 27714754 OULNYHNCKOSAJM-CWBXHPNXSA-N 355.522 4.168 0 1 FIAF N[C@@H]1CCN(Cc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)C1 45201555 OBQDHHPMRZQVTF-GOSISDBHSA-N 374.513 4.491 0 1 FIAF O=C(/N=c1\[nH]c2ccccc2n1Cc1ccccc1Cl)c1cccs1 66123891 RHLXTHBSUAIJAX-UHFFFAOYSA-N 367.861 4.474 0 1 FIAF N[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1 71282077 ZPMICTIIYVCALK-LJQANCHMSA-N 364.832 4.210 0 1 FIAF CCCCNc1nc(N2CCCCCC2)nc2cc(OC)c(OC)cc12 82129767 CARXJBJAJKZYDU-UHFFFAOYSA-N 358.486 4.239 0 1 FIAF O=c1cc(-c2cccc(-c3ccsc3)c2)sc(N2CCOCC2)c1 101076455 XWTQYAAVAOZGSN-UHFFFAOYSA-N 355.484 4.340 0 1 FIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(F)ccc1Oc1ccc(C2CC2)cc1 143208818 HPURRFIKNKVIFS-UHFFFAOYSA-N 364.376 4.436 0 1 FIAF O=c1c2c(-c3ccccc3)[nH]n(-c3ccccc3)c-2c(O)n1-c1ccccc1 169691720 ULZOHUOAXQJTKO-UHFFFAOYSA-N 367.408 4.434 0 1 FIAF O=C(NC1CCCCC1)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169721994 WDGUVXTVTKEOJS-GASCZTMLSA-N 364.445 4.092 0 1 FIAF CN1CC[C@@H]2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C[C@@H]1C2 196497222 FBHBHAUZAZRRFS-NYVOZVTQSA-N 363.501 4.409 0 1 FIAF COc1ccc(C(=O)c2c[nH]c3cc(Br)ccc23)cc1OC 315230743 JSFNMTQYCOEOKO-UHFFFAOYSA-N 360.207 4.179 0 1 FIAF CC[C@]1(C)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 586886998 FCLYNIDZMKCUHP-PWCHPLFNSA-N 359.065 4.387 0 1 FIAF Clc1cc(Br)cc2nc(Cc3csc4nccn34)[nH]c12 587040898 UWAPSJKRQKDRQN-UHFFFAOYSA-N 367.659 4.279 0 1 FIAF O=C1COc2cc3[nH]c(/C=C/c4cccc(Cl)c4Cl)nc3cc2N1 587054593 OVKSFFQXUOKYKN-SNAWJCMRSA-N 360.200 4.371 0 1 FIAF Nc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)c(C(F)(F)F)c1 587095879 YNLNPRUEMRKPSI-UHFFFAOYSA-N 372.144 4.299 0 1 FIAF CC(C)(C)Oc1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(N)cc1F 587136382 PFJJOGRFIONVSY-UHFFFAOYSA-N 352.772 4.316 0 1 FIAF O=C(O)[C@]1(c2ccc(Cl)cc2)CCc2nc3cccc4c3c(c2C1)CC4 587209078 IUCSPDKZPPEKMX-JOCHJYFZSA-N 363.844 4.498 0 1 FIAF CCOC(=O)c1c(Cl)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587377364 WTNKZCIBLYJGHT-MRXNPFEDSA-N 359.809 4.114 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(F)ccc1N)O2 587384779 IRGQNBLSPFWSDW-JOCHJYFZSA-N 362.404 4.208 0 1 FIAF COc1ccc([C@H](C)[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400742 SQLWAWGWPJKRRI-YEJXKQKISA-N 355.434 4.122 0 1 FIAF COc1ccccc1-c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 587415126 XHUNPWATJPMSAM-SFHVURJKSA-N 366.442 4.416 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(O)cc(Cl)cc1Cl)[C@@H](C2)C3=O 587418961 CGXAKIJWTOQOLP-DYZYQPBXSA-N 351.185 4.196 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccnc(OC)c1)[C@@H](C2)C3=O 587437236 YOMPMDYVYKQHID-FDDCHVKYSA-N 373.408 4.255 0 1 FIAF CC(C)(C)OC(=O)N1CC([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587517213 JFPUHHQTZJAIRZ-QFIPXVFZSA-N 371.477 4.156 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCOc2ccccc21 587612534 VUXJHSIBRCFIPW-RSDPBLMXSA-N 374.392 4.289 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)C(F)F)N1 587708153 XZISKMJSTOUMSE-INWYIAFRSA-N 358.148 4.238 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2F)N1 587725214 CFZYLZDXVJUXGA-VPTHRUTESA-N 356.185 4.490 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cnn(C)c3c2)N1 587760368 PJGYGBRSHQPESS-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(C)c3ccccc23)N1 587768044 ZNQKCKJUBUVNSD-DYZYQPBXSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ncccc23)N1 587805199 SIVLLDRFANPNKK-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF CCOC1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587811146 NEBLYZGDVPEXGE-BLQFLSLASA-N 356.279 4.297 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(C)(C)CCC(=O)O)N1 587828739 PNMRJRNDJMTOET-DYZYQPBXSA-N 372.278 4.229 0 1 FIAF Cc1cc2c(cc1F)[C@H](c1cc3ncc(Br)cc3o1)NCC2 962147402 PEJTXCJXUOQPFY-QGZVFWFLSA-N 361.214 4.273 0 1 FIAF c1ccc([C@H]([C@@H](c2ccccn2)N2CCCCC2)N2CCCCC2)nc1 1857540936 QLTBRUVLRLFPSE-FGZHOGPDSA-N 350.510 4.231 0 1 FIAF O=C(c1ccc(-c2cncc(F)c2)s1)c1cc(F)c(F)c(O)c1F 1857562754 WZBORHFEYHAKDC-UHFFFAOYSA-N 353.296 4.303 0 1 FIAF COc1ccc(-c2ocnc2-c2cc(OC)c(OC)c(OC)c2)cc1S 1857634107 IXUFYAQIUUDMNM-UHFFFAOYSA-N 373.430 4.332 0 1 FIAF COc1cc(-c2cccc(-c3nc4ccccc4[nH]3)n2)cc(OC)c1OC 1911586280 LUOGWICVWZMQCQ-UHFFFAOYSA-N 361.401 4.318 0 1 FIAF CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1 14977311 CQBACSJGNXXJCS-UHFFFAOYSA-N 358.501 4.004 0 1 FIAF CCN(CC)CCOc1ccc(Nc2nccc(-c3ccco3)n2)cc1 26653868 PDMWIRCIXRURFN-UHFFFAOYSA-N 352.438 4.201 0 1 FIAF O=C(OCCCCN1CCC(OCc2ccccc2)CC1)c1ccccc1 28650681 PIHTVJYRMYAPDJ-UHFFFAOYSA-N 367.489 4.305 0 1 FIAF in-vivo C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)cc(CCC)c4c2O1)C(=O)[C@@H](C)CO3 29133740 UIJRPYBDNDLRCA-LFHSMUGYSA-N 366.413 4.307 0 1 FIAF Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(CC(C)C)nc2)n1 38157801 SWTQAFJPNKNETR-UHFFFAOYSA-N 365.433 4.323 0 1 FIAF Fc1ccc([C@@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)c(F)c1 72113174 ZDAMNCNRIQMBFG-LSDHHAIUSA-N 364.758 4.495 0 1 FIAF Cc1ccccc1-c1noc(C2CCN(C(=O)CCC(F)(F)F)CC2)n1 82153915 FVCMNSPWMHBFCS-UHFFFAOYSA-N 367.371 4.094 0 1 FIAF CCOc1ccc(-n2c(SC)nc3c4ccccc4nc-3c2O)cc1 100705730 JSXQIUBBZBJHOD-UHFFFAOYSA-N 351.431 4.352 0 1 FIAF C[C@H]1CCc2c(c(O)n(-c3ccccc3OC(=O)c3ccccc3)c2O)C1 169688176 ATIKXNJFKCKHNN-AWEZNQCLSA-N 363.413 4.233 0 1 FIAF C[C@@H]1CC[C@@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 195295868 SGGGMRQESKILIB-XZBQRBHSSA-N 370.489 4.466 0 1 FIAF Nc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1 221156487 GYCVTCVPVPOPHB-JLHYYAGUSA-N 357.388 4.277 0 1 FIAF C[C@H](SCc1ccccc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586963229 YMGRWMQPKMLHLS-INIZCTEOSA-N 366.534 4.309 0 1 FIAF Nc1ccc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586986694 FBKWINRFIANZKA-UHFFFAOYSA-N 354.365 4.107 0 1 FIAF Cc1c(Br)cnc2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc12 587095813 WKWSINGJEQTSKS-UHFFFAOYSA-N 371.160 4.297 0 1 FIAF O=C1c2ccccc2-c2cc(CC(=O)N3CCCCCC3)nc3cccc1c23 587107531 UDNGNNIBFIPTHL-UHFFFAOYSA-N 370.452 4.391 0 1 FIAF Oc1nc2cc3nc(-c4cnc5ccc(C(F)(F)F)cc5c4)[nH]c3cc2[nH]1 587112257 LBZUEAIDKJVBPU-UHFFFAOYSA-N 369.306 4.379 0 1 FIAF COc1cc(-c2nc3ccc4ncccc4c3[nH]2)nn1-c1ccccc1F 587156333 LIHRIRSCHQGIKE-UHFFFAOYSA-N 359.364 4.112 0 1 FIAF COc1cccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c12 587204459 VFILABYXSIQWCA-UHFFFAOYSA-N 366.421 4.089 0 1 FIAF COC(=O)c1ccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2c1 587242311 RZODNNCRSZXLIK-UHFFFAOYSA-N 351.406 4.001 0 1 FIAF C[C@]1(c2cscn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375860 VOJNKGRXIYKSSL-IEBWSBKVSA-N 355.390 4.262 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O)cc1Cl)CC2=O 587458435 BPSQWXXRSBWAOR-QGZVFWFLSA-N 362.809 4.419 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)nn1CC)CC2=O 587464769 XXKFTGGUDGZLAD-HNNXBMFYSA-N 368.355 4.286 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccoc2cn1 587588321 SPIKZYWITQFOKQ-RXVVDRJESA-N 359.337 4.236 0 1 FIAF O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O 587651928 RYFRXUYREQOJLN-GOEBONIOSA-N 359.212 4.147 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(F)c2)N1 587726691 YWJUAFFUPDYWEP-BCTVWOGZSA-N 356.185 4.490 0 1 FIAF CCCC[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796475 KOTRWLCPFGJZAP-APPDUMDISA-N 372.278 4.071 0 1 FIAF COc1ccc(CCCc2nc3cc(Cl)c(Cl)nc3[nH]2)c(OC)c1 587928552 JSZCQRWSRKQQIZ-UHFFFAOYSA-N 366.248 4.457 0 1 FIAF CCOC(=O)[C@@H]1CC[C@@]2(C=C1C)N[C@H](CC)Cc1c2[nH]c2ccccc12 962957854 ZKXHGWNTHMWFMW-MCFFVMPBSA-N 352.478 4.207 0 1 FIAF Cc1ccnc2c1CCN[C@@]2(C)c1cccc(NC(=O)Nc2ccccc2)c1 963071381 RMNLMWAMLMBRQJ-QHCPKHFHSA-N 372.472 4.443 0 1 FIAF CCOC(=O)CC[C@]1(c2c(C)cc(C)cc2C)NCCc2c(C)ccnc21 963087030 KPFWADKUPQGCHB-HSZRJFAPSA-N 366.505 4.048 0 1 FIAF CC[C@@H]1CCC[C@@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963172502 DAMWUTCXJXJAHO-QSGSBWRWSA-N 361.791 4.363 0 1 FIAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@H]1[C@@H]1CC=CCCC(=O)O1 2356668412 PAVKIXOXXHKTAR-ADAARDCZSA-N 362.510 4.079 0 1 FIAF CC[C@]1(C(=O)N[C@H](C)COc2cccc(F)c2F)[C@@H](C)C1(Cl)Cl 29392396 OCUQJTPXKPRLCC-IQMDTDKHSA-N 366.235 4.068 0 1 FIAF Cc1ccc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)C(C)(C)C)C3)cc1 101706221 WRIKOMDUAGMHIE-ROUUACIJSA-N 357.498 4.075 0 3 FIAF O=C1[C@H]([C@@H](O)c2cccc(C(F)(F)F)c2)CCCN1Cc1ccccc1 103282509 XFZQSLDOQKXJIM-ROUUACIJSA-N 363.379 4.178 0 1 FIAF CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F 100014970 YTMCTWONBYRCCU-UESPBHMZSA-N 356.300 4.188 0 1 FIAF CC[C@]12CCCn3ccc(c31)-c1cc(NC(C)=O)ccc1NC(=O)CC2 26271779 OHXDSUPZUQXBMQ-OAQYLSRUSA-N 351.450 4.287 0 1 FIAF Clc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)cc1Cl 28653667 XYNMOULGJNGXPD-QZTJIDSGSA-N 358.309 4.196 0 1 FIAF COc1ccc(-c2cc3cc(Br)cc(OC)c3oc2=O)cc1 71340662 LGFYJOGTQYJEMT-UHFFFAOYSA-N 361.191 4.240 0 1 FIAF COc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3[nH]ccc3n2)cc1 38175228 JMWWRNUFCKOKAS-UHFFFAOYSA-N 361.405 4.462 0 1 FIAF C[C@@H]1Cc2c([nH]c3cc(Cl)ccc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 49793620 TZIGXNATHZDTPE-HOGDKLEQSA-N 372.255 4.205 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc(C)c2)n1 82145299 MWRHUPZKXCHQEB-INIZCTEOSA-N 354.498 4.390 0 1 FIAF O=C(N[C@H]1CCc2cc(Cl)cc(Cl)c21)[C@H]1CCc2ncsc21 220850176 CPNGQHHNJVNSLW-JQWIXIFHSA-N 353.274 4.283 0 1 FIAF Cc1ccc(OCC(=O)N(Cc2cccs2)c2c(C)n[nH]c2C)cc1 145764043 WZDQGIOEXHEERP-UHFFFAOYSA-N 355.463 4.009 0 1 FIAF Fc1cccc(F)c1C1=N[C@@H](c2ccc(OCC(F)(F)F)cc2)CO1 98082149 HMFULPSFWGYWCE-CQSZACIVSA-N 357.278 4.424 0 1 FIAF C[C@@H]1CC[C@@H]2[C@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 253683648 CEQYMIBPHSHBNB-JJDPQSCYSA-N 356.462 4.076 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(Cl)c1OC)[C@@H](C2)C3=O 587418671 AOWWIGPONKGMDC-APPDUMDISA-N 365.212 4.499 0 1 FIAF Cc1nc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2cc1Br 587016240 IHGUCTPFBFNTBU-LLVKDONJSA-N 365.256 4.004 0 1 FIAF CC(=O)N[C@@H](Cc1nc2cccc(C)c2[nH]1)c1ccc(Br)cc1 586984367 FRDNYJSIKAJLJI-INIZCTEOSA-N 372.266 4.054 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCCC(=O)O)N1 587825727 DXUHANJAAXVXPH-PIGZYNQJSA-N 372.278 4.373 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1Cc1cccnc1)CC2=O 587469859 HJDHEKVDPBCUSE-NRFANRHFSA-N 362.429 4.296 0 1 FIAF O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccco2)cc(C(F)F)n1 587652041 USQYFPFUOWKYOP-UHFFFAOYSA-N 374.734 4.027 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 587003459 KSGUSRCLRKNTCU-UHFFFAOYSA-N 362.618 4.226 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3ccc(CC)cc31)CC2=O 587482215 CWTKARBTGYSURW-JOCHJYFZSA-N 366.413 4.077 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc2c1 587092593 SBIRCCAWFUIHAK-UHFFFAOYSA-N 373.718 4.153 0 1 FIAF Cc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587588115 OYTUMROLCMDKEE-UYAOXDASSA-N 361.397 4.059 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3n2C)N1 587760609 ZFCRTZXVLACHCQ-QGHHPUGFSA-N 374.257 4.099 0 1 FIAF CC(C)(CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O 587601657 FBZYURIVPHTJFO-IIBYNOLFSA-N 370.401 4.004 0 1 FIAF Oc1c(Br)ccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587037183 SYBQMEGMMBLRLC-CYBMUJFWSA-N 367.293 4.471 0 1 FIAF Cc1ccc(Cl)nc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551666 IHIGJYBQRURYHS-OXJNMPFZSA-N 367.788 4.452 0 1 FIAF Fc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc(N2CCCC2)n1 587177461 JULPSPOQSBIYBE-UHFFFAOYSA-N 350.319 4.383 0 1 FIAF COc1cc(N)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986707 FFSVCPGZCFCDSI-UHFFFAOYSA-N 368.392 4.410 0 1 FIAF CC1(C)[C@@H](OCc2ccc(CN)cc2)C[C@@]12NCCc1cccc(Cl)c12 963380620 LMCSLPRCUHPMOD-UGKGYDQZSA-N 370.924 4.155 0 1 FIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4c5nonc5CC[C@]4(C)[C@@H]3CC[C@]12C 5664773 BAZMQTKNLZZEHX-BEPPMPCUSA-N 358.482 4.274 0 1 FIAF CCc1c(C)[nH]c(=O)c(NC(=O)C(C)(C)C)c1C(=O)c1cc(C)cc(C)c1 5885957 YWWCMBKHWXKAQM-UHFFFAOYSA-N 368.477 4.078 0 1 FIAF COc1ccc2c(C[C@@H](C)NC[C@@H](O)c3cccc(Cl)c3)c[nH]c2c1 13488818 AIYBKTHGVJGOBK-ZUOKHONESA-N 358.869 4.084 0 1 FIAF C=C(c1ccccc1)c1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1 13491018 HVLZZLCPCRNKEL-AFXVXQJMSA-N 361.485 4.487 0 1 FIAF C[C@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F 165001736 IEPLJQBGZPLEGV-VIFPVBQESA-N 354.406 4.274 0 1 FIAF CC(C)Oc1ccc(F)c(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)c1 204763333 PGRHMLHEMDGMJC-UHFFFAOYSA-N 352.369 4.393 0 1 FIAF O=C(O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(F)cc1 1648929 VPJRQGBLCIRRIW-UHFFFAOYSA-N 351.259 4.230 0 1 FIAF COc1cccc(C(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)c1C 13684673 GPINFPMRDYFGDG-GOSISDBHSA-N 360.885 4.080 0 1 FIAF COc1ccc(-c2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc1O 28568427 HEOXPMQQEANXON-UHFFFAOYSA-N 359.385 4.441 0 1 FIAF CC(=O)Nc1cc(C(=O)c2cccnc2)cc(-c2cccc3[nH]ccc23)c1 34602489 AUNNALAXNCGNBR-UHFFFAOYSA-N 355.397 4.419 0 1 FIAF O=C1CC2(N3CCCC3)C[C@@H](c3ccccc3)C(N1)[C@H](c1ccccc1)C2 40753126 JQAFGLIAXMGYMK-CQNRZJDLSA-N 360.501 4.071 0 1 FIAF COc1ccccc1-c1ccc(C(=O)N(CC2CC2)C[C@@H]2CCCO2)cc1 40899581 LNKKBPHASIKCOF-FQEVSTJZSA-N 365.473 4.393 0 1 FIAF c1ccc(Cn2cc(-c3cn4c(-c5ccccc5)cnc4cn3)cn2)cc1 53243898 BNGJSLHOYAZWHT-UHFFFAOYSA-N 351.413 4.308 0 1 FIAF COc1ccc(Nc2nc(-c3ccc(Cl)nc3)cn3ccnc23)cc1 64548725 KHDHBLBAAUCLCS-UHFFFAOYSA-N 351.797 4.197 0 1 FIAF N=C(Nc1ccc2c([C@H]3CN4CCC3CC4)c[nH]c2c1)c1cccs1 72104752 OHHGHMJEPXHYDM-KRWDZBQOSA-N 350.491 4.476 0 1 FIAF CCOc1ccccc1-c1nc(CNCCc2cccc(OC)c2)co1 72182663 BGDKQVGKUAODMZ-UHFFFAOYSA-N 352.434 4.081 0 1 FIAF CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 84725824 GPZUWAHQDYJABE-QGZVFWFLSA-N 364.488 4.155 0 1 FIAF Fc1cccc(F)c1C1=N[C@H](c2ccc(OCC(F)(F)F)cc2)CO1 98082148 HMFULPSFWGYWCE-AWEZNQCLSA-N 357.278 4.424 0 1 FIAF CC[C@@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2CC 102187170 JVCVLJBXDJSIPA-RLFYNMQTSA-N 351.874 4.056 0 1 FIAF O[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 135848884 BBMXHMMGPRLFBR-RPBOFIJWSA-N 372.512 4.279 0 1 FIAF CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2cc(Cl)cc(Cl)c2)no1 148211696 XCBFEZRMLYPSFY-FYJGNVAPSA-N 365.220 4.453 0 1 FIAF COC(=O)Nc1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1 587244187 XXWCRRANLGXJAD-UHFFFAOYSA-N 360.211 4.479 0 1 FIAF CCCOc1cc2nc(-c3cccc(CN)c3)[nH]c2cc1Br 587245943 ICQFCDNBCFLCCE-UHFFFAOYSA-N 360.255 4.240 0 1 FIAF NC1CCC(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 587256407 HWUASFZVZBKKPK-UHFFFAOYSA-N 362.193 4.329 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(Cc3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 587347433 AWXGDSUHHPCHQI-NFBKMPQASA-N 374.367 4.068 0 1 FIAF C[C@]1(c2sccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372122 DVCIUQCXCIHKML-XLIONFOSSA-N 369.417 4.449 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(F)cc1Br)O2 587383064 XCHJVJYYYTXHJY-OAHLLOKOSA-N 368.177 4.324 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc(Cl)nc1Cl)CC2=O 587458982 BYAZALWRCXHYIA-KRWDZBQOSA-N 367.232 4.322 0 1 FIAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1 587581997 YHAAVVDLQICNMS-KNQAVFIVSA-N 361.397 4.160 0 1 FIAF CCc1cnccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585762 HTEKZHIDQQWFFS-UGKGYDQZSA-N 361.397 4.227 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(N)c2)N1 587720067 RAJNKAZYSCUSBK-HUTHGQBESA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3n[nH]cc3c2)N1 587794300 LVSFVWWHEOFIBY-HUTHGQBESA-N 360.230 4.088 0 1 FIAF CCc1noc(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798770 WBFJNCLNROEPIU-XLFHBGCDSA-N 367.262 4.245 0 1 FIAF CCCC[C@H](CO)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587827477 PNCNMXRSXJLPPJ-NDGTYSDOSA-N 358.295 4.136 0 1 FIAF Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sc1C 587855529 WMFUTKYJJUCZNH-NXSYQRQQSA-N 355.276 4.285 0 1 FIAF CCOC(=O)CCC[C@]1(C)c2ccsc2CCN1Cc1cccnc1 963005156 HCNOJURTLBUPCS-HXUWFJFHSA-N 358.507 4.150 0 1 FIAF O=C1Nc2ccc(Nc3ccc(Cl)cc3)cc2[C@@]1(O)Cc1ccccc1 1857590390 HEFQUOKVVKPVPJ-NRFANRHFSA-N 364.832 4.466 0 1 FIAF O=C(NC1CC1)c1cc(Oc2ccc(/C=C/c3ccccn3)cc2)ccn1 1857654606 FREZXTSEZPQDIG-QPJJXVBHSA-N 357.413 4.332 0 1 FIAF COc1cc(C(=O)c2cnc(-c3c[nH]c4ccccc34)[nH]2)cc2c1OC=CO2 1857758699 MUEAWGZGNIDGNE-UHFFFAOYSA-N 373.368 4.040 0 1 FIAF CC[C@H]1CN2CC[C@H]1C[C@H]2COC(=O)Nc1ccc(Br)cc1 2356468455 CLZDJZYBHMNIKP-XEZPLFJOSA-N 367.287 4.118 0 1 FIAF CCCN1CCC(=O)N([C@H](CSc2ccc(C)cc2)CC(C)C)CC1 13661744 KKXFAVFPRJLFFH-IBGZPJMESA-N 362.583 4.446 0 3 FIAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4055517 FIFQEWPXKVJWPW-NVXWUHKLSA-N 362.882 4.410 0 1 FIAF CO[C@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 13643564 DRRFJWRBSWXNFW-BURNTYAHSA-N 373.443 4.321 0 1 FIAF Cc1nc2cnccc2n1-c1ccc(-c2nnc(-c3ccccc3)o2)cc1 13743133 HIWGNQPGEZPZQY-UHFFFAOYSA-N 353.385 4.446 0 1 FIAF CCc1cc(Nc2nc(N)c(CCCc3ccccc3)c(=O)[nH]2)ccc1C 28570089 VLUCBSNYOPZYFB-UHFFFAOYSA-N 362.477 4.142 0 1 FIAF O=C(c1ccccc1)N1CCC(c2nc(Cl)nc3ccccc23)CC1 28760882 MYFJUWUXKOUQCS-UHFFFAOYSA-N 351.837 4.303 0 1 FIAF O[C@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1cncnc1 28768052 YNWYQQUQEXUBNN-KRWDZBQOSA-N 364.754 4.433 0 1 FIAF CC/C=C/C/C=C/C/C=C\C/C=C/CCCCC(=O)OC[C@@H](O)CO 29045929 YICVZGXPPMTJCG-RGOYEMILSA-N 350.499 4.248 0 1 FIAF Cc1ncccc1Oc1ccc(NC(=O)c2cn(C)c3ccccc23)cn1 40933660 ACKANGRKJDCYAH-UHFFFAOYSA-N 358.401 4.321 0 1 FIAF COc1cc(-c2oc3c(OC)cc(C=O)cc3c2C)cc(OC)c1OC 45285980 ABGNFLATGXMICB-UHFFFAOYSA-N 356.374 4.255 0 1 FIAF biogenic,in-vivo Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 63539928 VYPMKWZQENSPAB-UHFFFAOYSA-N 354.797 4.043 0 1 FIAF Cc1noc(C)c1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12 68204806 NWTPTKFJXRWMGG-UHFFFAOYSA-N 353.332 4.318 0 1 FIAF CC(C)OCCCNCc1coc(-c2ccccc2Br)n1 72182205 HCFNXOURLMUSDN-UHFFFAOYSA-N 353.260 4.009 0 1 FIAF CCC(CC)c1nc2c(NCc3cccs3)ncnc2n1CCOC 82178000 WOAGJRSVDRBPSK-UHFFFAOYSA-N 359.499 4.050 0 1 FIAF CCC(CC)c1nc2c(NCc3ccc(C)cc3)ncnc2n1CCOC 82179377 RBKYRRPJILSYDD-UHFFFAOYSA-N 367.497 4.297 0 1 FIAF O=C(NC1CCCCC1)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 82197837 RKNHCSNYBAJYJS-SFHVURJKSA-N 373.497 4.367 0 1 FIAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(C)c1C)c1ccco1 103192385 KIFHTSNXDPKHNA-KRWDZBQOSA-N 368.322 4.003 0 1 FIAF CCOC(=O)c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243551 JNPSWSUYGSCWBL-UHFFFAOYSA-N 358.777 4.202 0 1 FIAF Cc1cc(Oc2nccc3n[nH]cc23)ccc1-n1c(C)nc2cnccc21 169705976 AKZQNAADLLXBOU-UHFFFAOYSA-N 356.389 4.101 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(CCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C 195423555 XCAGZFQBRONDCI-WBADGQHESA-N 363.501 4.211 0 1 FIAF O[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C1CCOCC1 586916645 NEBGSMSCBVRMHY-GOSISDBHSA-N 365.458 4.300 0 1 FIAF Brc1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587042988 WXBBOCAOZBQCFD-LSDHHAIUSA-N 374.307 4.272 0 1 FIAF Cc1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1Br 587060015 YFDFERGMMONJEM-AWEZNQCLSA-N 351.631 4.369 0 1 FIAF Cc1onc(-c2nc3cc(O)ccc3[nH]2)c1COc1ccccc1Cl 587063349 KUIFLZJGSWJFIY-UHFFFAOYSA-N 355.781 4.464 0 1 FIAF Cc1nn(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)c(C)c1Cl 587065594 SSSXMVTXRAETDT-UHFFFAOYSA-N 359.220 4.081 0 1 FIAF CC[C@H](C)n1cc(Cl)c(-c2nc3nc(Br)ccc3[nH]2)n1 587079290 IHMGSISUSUHGGF-ZETCQYMHSA-N 354.639 4.208 0 1 FIAF COc1ccc(Cl)c(-c2ccc(-c3nc4cnncc4[nH]3)cc2F)c1 587143738 YBJLKKOFAWHULE-UHFFFAOYSA-N 354.772 4.488 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Cl)ncc2[nH]1 587233076 HBTHWPNGFNOZRE-GHMZBOCLSA-N 350.850 4.162 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(=O)OC(C)(C)C)c1)O2 587400795 OVAWUMKNKLDDCW-SFHVURJKSA-N 353.418 4.239 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C=O)c(O)c3)cc1)O2 587403549 INRMEQKZOPTDOE-JOCHJYFZSA-N 373.408 4.469 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(NC(C)=O)ccc31)CC2=O 587471569 TYIYVQLOFGIAKG-JOCHJYFZSA-N 365.429 4.110 0 1 FIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)cc(Cl)cc12 587506769 LUZXSYFWOAERTB-FQEVSTJZSA-N 371.795 4.171 0 1 FIAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1O 587523576 KIRUFMCFOWXPEJ-QFIPXVFZSA-N 368.429 4.169 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(F)cc12 587572274 UTPJVGDWFBAWNX-UGKGYDQZSA-N 362.356 4.335 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCCO2 587611472 ROIKYHIHGFZDRI-OFNKIYASSA-N 374.392 4.420 0 1 FIAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1c(F)cccc1F 587629493 SHSBBNUFOZQWEV-UHFFFAOYSA-N 367.710 4.256 0 1 FIAF Cc1cc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)c(C)o1 587638594 OEOAICZXAXTEHA-UHFFFAOYSA-N 351.280 4.326 0 1 FIAF O=C(n1ncc2ccc(Cl)cc2c1=O)C1(c2ccc(Cl)cc2)CC1 587652126 WWTPGGLOXBXPER-UHFFFAOYSA-N 359.212 4.075 0 1 FIAF CCn1ncc(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587699522 SOSCIFAVBOBJGP-RTHLEPHNSA-N 372.669 4.082 0 1 FIAF Cc1cccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587768910 DQGMTIAGJGEDAN-SGTLLEGYSA-N 363.274 4.284 0 1 FIAF CCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587775094 ZAQRHQZMRRHUCQ-BTDLBPIBSA-N 365.246 4.006 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3[nH]ccc23)N1 587800160 APTAFELRAAGBOQ-JDNHERCYSA-N 360.230 4.088 0 1 FIAF O=C(c1cccc(Br)c1)n1nc2cc1Oc1ccc(F)cc1-2 587872099 HBOBEBUIHZLGRE-UHFFFAOYSA-N 359.154 4.246 0 1 FIAF CCN1C(=O)[C@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(F)ccc21 962659226 BHESFDRXGNIGRW-DEOSSOPVSA-N 372.443 4.249 0 1 FIAF C[C@]1(c2cccc(N3CCOC3=O)c2)c2c(F)cccc2C[C@H]2CCCN21 963117490 WXCJNVJWQORHEN-GCJKJVERSA-N 366.436 4.066 0 1 FIAF COc1c(C)cccc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772620594 WZLSJHWPORLIPW-QGZVFWFLSA-N 355.365 4.404 0 1 FIAF Nc1ncnn2c(-c3cccnc3)cc(-c3ccnn3C3CCCCCC3)c12 1857588294 HRPXMAQGILPJCT-UHFFFAOYSA-N 373.464 4.132 0 1 FIAF CC(=O)OC[C@]1(C)C[C@H](O)C[C@]2(C)[C@H](CCC(C)=CCO)C(C)=CC[C@@H]12 2356673638 RXNUONBNCKZRCS-LILSUDLASA-N 364.526 4.018 0 1 FIAF CC[C@@H]1C(=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 2356752563 YIGHZHOPCWHUCU-OLGRQQGZSA-N 359.554 4.055 0 1 FIAF Cc1c(CCCC(=O)O)sc(N)c1C(=O)c1cccc(C(F)(F)F)c1 12480054 VKIOQVZNZFRNDU-UHFFFAOYSA-N 371.380 4.296 0 3 FIAF Nc1nc2c(c(-c3ccc(F)cc3)n1)COC/C2=C\c1ccc(F)cc1 5842238 SWXABLOEPGQKLV-NTEUORMPSA-N 351.356 4.075 0 1 FIAF O=C(NCCCN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccccc1 13443473 QHSIDOWZSDCHKB-UHFFFAOYSA-N 369.484 4.292 0 1 FIAF CCCCc1nc[nH]c(=O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1 13744572 NKLPSTFCHFXHGB-UHFFFAOYSA-N 362.429 4.069 0 1 FIAF COC(=O)[C@@H](C)[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 26391182 JABZAHXSNKLWRQ-QJBXRSQYSA-N 373.537 4.051 0 1 FIAF COc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2)c(OC)c1 38788959 WWRXHZVWLZWFTC-UHFFFAOYSA-N 370.449 4.232 0 1 FIAF O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 42921240 ISUXZRFEQFBYDR-QFIPXVFZSA-N 362.473 4.002 0 1 FIAF CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccn1)c1ccccc1 72178227 SEXIUONDQVAOJI-HXUWFJFHSA-N 370.456 4.361 0 1 FIAF COP(=O)(OC)[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 103210594 QZPMGNLLWAYTGW-DTWKUNHWSA-N 371.153 4.136 0 1 FIAF Cc1nc2ccccc2cc1-c1nnc(-c2coc3ccccc3c2=O)o1 103273597 XGEMHHBPRXFHEA-UHFFFAOYSA-N 355.353 4.367 0 1 FIAF Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 169295709 HXRAAZYXPJURRL-ICSRJNTNSA-N 372.465 4.426 0 1 FIAF Oc1nc(S)nc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 587126281 WGQCTMFEMUDDMY-ZZXKWVIFSA-N 370.381 4.130 0 1 FIAF CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3CC5)CC[C@H]2C1 587212301 NAZBBARJADAOJJ-HOCLYGCPSA-N 350.462 4.230 0 1 FIAF C[C@@]1(c2ccc(F)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335579 OGPDJRBUIRQKEO-FPOVZHCZSA-N 367.351 4.340 0 1 FIAF CCCCC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354776 OSUMUXKUJQOTQA-TZIWHRDSSA-N 356.393 4.408 0 1 FIAF Cc1ccc(-c2nc3cccc4c3c(c2CC(=O)CCC(=O)O)CC4)s1 587359589 IDJDEPGTEBLUBQ-UHFFFAOYSA-N 365.454 4.347 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(C)cc1OC)[C@@H](C2)C3=O 587419633 FOMHWXYDQIBUCB-VBKZILBWSA-N 358.821 4.328 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc4cc(Cl)ncc4c1)[C@@H](C2)C3=O 587421157 NZINNSUBKVKOKL-YWZLYKJASA-N 351.789 4.386 0 1 FIAF CCCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587519004 SSSFHRYUKPCRNM-HSZRJFAPSA-N 361.441 4.183 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1Cc2ccccc2C1 587603259 LHYYOVOWMYOSLX-NZQKXSOJSA-N 358.393 4.137 0 1 FIAF COc1ccc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587720662 TVOQYGWGGCQKQM-HUTHGQBESA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2F)N1 587721451 VUHAMAQTMKAXNR-BCTVWOGZSA-N 356.185 4.490 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(F)cc2C=O)N1 587739025 SILJDUHMKAHSMZ-WJWGPLDTSA-N 372.234 4.225 0 1 FIAF COc1ccc(C)cc1C(=O)CCc1nc2c(Cl)cnc(Cl)c2[nH]1 587787675 QFHJCIKCNGKTHN-UHFFFAOYSA-N 364.232 4.397 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3nccc-3c2)N1 587804019 QPEHOGFQCLZLKO-YPMLDQLKSA-N 374.257 4.214 0 1 FIAF CC[C@@]1(c2nccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587851178 BEUMKQACZHFUIL-RFAUZJTJSA-N 355.276 4.233 0 1 FIAF COc1ccc(OC(C)(C)C)n1-c1cc(C)n(Cc2ccccc2F)n1 587945360 MVUBOALLIDQTJQ-UHFFFAOYSA-N 357.429 4.356 0 1 FIAF C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4cnn(C)c4)cc3c21 1772571768 CRPPNGLXRWBEIQ-ZDUSSCGKSA-N 372.407 4.128 0 1 FIAF CCN(Cc1ccc(Cl)cc1)c1cc(C(=O)Nc2ccccc2)ncn1 1772612142 PBPQWXDTOVCWER-UHFFFAOYSA-N 366.852 4.409 0 1 FIAF Cn1ncc2c(NC(C)(C)c3ccc(C(F)(F)F)cc3)nc(Cl)nc21 1857647701 DYMCMWGNKPVBTB-UHFFFAOYSA-N 369.778 4.383 0 1 FIAF CCCCCc1cc(O)c(C[C@H](O)[C@](C)(O)CCC=C(C)C)c(O)c1 2356394407 BKIVMEYACIOCCX-LEWJYISDSA-N 350.499 4.231 0 1 FIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CCC[C@H](C(=O)OC)[C@]21C 2356654677 GQMLMDPVGSEQPG-WFIKIKRESA-N 360.450 4.290 0 1 FIAF COc1ccccc1C[C@@]1(C)C(=O)Nc2ccc(OC(F)(F)F)cc21 61898514 BXEOWYVWSNADDK-QGZVFWFLSA-N 351.324 4.046 0 3 FIAF COCc1cccc(-c2csc([C@](C)(O)c3cccc(OC)c3)n2)c1 61926916 OWBPPGYPDAVVTR-HXUWFJFHSA-N 355.459 4.221 0 3 FIAF CCNC(=O)[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1 61928359 SALKTPOLXWEINA-OAQYLSRUSA-N 366.505 4.004 0 3 FIAF Cc1cc(C)c2c(N)c([S@@](=O)Cc3ccc(Cl)cc3)sc2n1 4123215 WJJPYVKXMNPBTF-JOCHJYFZSA-N 350.896 4.457 0 1 FIAF COC(=O)c1cc(C)ccc1[C@@H]1CN=N[C@@]12Cc1c(C)cc(C)cc1C2=O 5539779 KLKQGXZLJBEEQM-UGKGYDQZSA-N 362.429 4.126 0 1 FIAF O=C(O)CN1Cc2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O 13649886 JFEIHCIXFVDOKP-UHFFFAOYSA-N 365.216 4.020 0 1 FIAF CC(C)c1ccc(Cn2ccc3c4c(N)nc(N(C)C)nc4ccc32)cc1 26183720 ZMUBNANBKAGODS-UHFFFAOYSA-N 359.477 4.404 0 1 FIAF O=C(c1nc2ccccc2s1)C1CCN(CCc2ccccc2)CC1 27848313 VPRVAVBFDXZVEL-UHFFFAOYSA-N 350.487 4.434 0 1 FIAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Sc1cccnc1 27868786 ZZRWCQUXUYZFEX-GOSISDBHSA-N 369.490 4.058 0 1 FIAF CN(CCCNc1ncnc2oc(-c3ccccc3)nc12)c1ccccc1 28101611 UYLDMEYMZNRACZ-UHFFFAOYSA-N 359.433 4.223 0 1 FIAF CN(C)CCc1cccc2[nH]c(-c3nc(CC4CCCCC4)no3)cc12 36311397 WZUNKZSZQKMHQY-UHFFFAOYSA-N 352.482 4.445 0 1 FIAF COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(Cl)c3)C[C@H]1C=N2 49807490 YHCPGHDOXWCPRT-HNNXBMFYSA-N 368.820 4.329 0 1 FIAF NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1 63298473 AWJPVXSHMIELNJ-UHFFFAOYSA-N 369.190 4.103 0 1 FIAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3cc4ccoc4cc3O[C@H]1CC2 95486012 DDBGUFDZUZVINK-YWZLYKJASA-N 350.370 4.124 0 1 FIAF biogenic,in-vitro CCCCn1c2ccccc2c2cc(C(=O)NCCCCCCN)ncc21 95540334 IIOMKIYYGOROFX-UHFFFAOYSA-N 366.509 4.239 0 1 FIAF C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c3cocn3)c2c1 95554125 OXMGMNBSFVVJAF-JTQLQIEISA-N 368.776 4.313 0 1 FIAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2oncc2C)c1 113766288 ZADMDEZTLWZDIT-INIZCTEOSA-N 364.445 4.390 0 1 FIAF Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4nccs4)cc3)c12 141065545 ZEMZYSDKPKMAQL-UHFFFAOYSA-N 350.407 4.034 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@H](Cc1cccnc1)[C@@H]2O 299870290 QLYAKILKANOLBC-LFGKPXBPSA-N 363.501 4.473 0 1 FIAF in-vivo COc1nccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc12 586878837 FFABRPPLMMYOCS-UHFFFAOYSA-N 359.385 4.307 0 1 FIAF Cc1ccc2c3c(cc(-c4nc(Cl)c[nH]c4=N)nc13)-c1ccccc1C2=O 586993430 NJMLWKLBYARCAL-UHFFFAOYSA-N 372.815 4.278 0 1 FIAF CCS(=O)(=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587028675 ZVAJJWMJNVCKDJ-UHFFFAOYSA-N 369.471 4.147 0 1 FIAF Cc1ccc2c3c(c4c(nc13)CC[C@H](n1cnnc1)C4)-c1ccccc1C2=O 587096911 DHXFBASELJBIOV-AWEZNQCLSA-N 366.424 4.076 0 1 FIAF Cc1c(Br)cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1C 587116922 FGEOMXVOJFMIKX-UHFFFAOYSA-N 373.176 4.362 0 1 FIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(N)ccnc3[nH]2)c(F)c1 587145557 ZBGYRMBOSWZMAU-UHFFFAOYSA-N 362.364 4.020 0 1 FIAF CC(C)N1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587344323 NJFRWYLPZKMONO-RBBKRZOGSA-N 369.436 4.133 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3ccnc3)cc1Cl)O2 587376095 PWPIHJNOQRMBLV-SFHVURJKSA-N 353.809 4.123 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cccn3)cc1Cl)O2 587377256 VPVWOPLXAGCZHX-SFHVURJKSA-N 353.809 4.123 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CF)(c1ccc(C(F)(F)F)cc1)O2 587380083 AEAVIAUTWPQALN-KRWDZBQOSA-N 353.315 4.426 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC4CCCCC4)nc1)[C@@H](C2)C3=O 587435996 LNVYKDKLWABYLL-JTSKRJEESA-N 365.429 4.290 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C(C)C)nc1)CC2=O 587471008 XTJUMLQVPMKWLD-IBGZPJMESA-N 354.450 4.291 0 1 FIAF C[C@@]1(CC(=O)Nc2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506394 RVJAQMHBPZAFRM-QFIPXVFZSA-N 367.420 4.457 0 1 FIAF CN(C)c1nccc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509564 VEPZBSHTBLZXBK-QGZVFWFLSA-N 356.853 4.386 0 1 FIAF COc1ccc(OC)c2c1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521151 ASEIRPOWPNYVRA-QHCPKHFHSA-N 364.441 4.390 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1Cl 587540994 CQRPVMHYDDLQQY-YLJYHZDGSA-N 368.772 4.454 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)ncn3C)N1 587760575 YWZOCPNJNRIMFM-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587768893 DNTIUVQVBFLDAE-QGHHPUGFSA-N 365.246 4.006 0 1 FIAF Cc1ccnc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587772929 PSNVOFSDJKSWAI-SGTLLEGYSA-N 363.274 4.284 0 1 FIAF CC(C)c1nc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)co1 587774351 MRRFTUHGEUSEJK-QGHHPUGFSA-N 367.262 4.497 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCCC(=O)O)N1 587828704 PMPHFMWNVSNJBN-PIGZYNQJSA-N 372.278 4.373 0 1 FIAF CC[C@@H]1C[C@H]([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCO1 587833081 LWPYUHWNMVWEKI-RWYOIZDWSA-N 356.279 4.369 0 1 FIAF Cc1ccc(O)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587834393 RUGIVXQSSQLZMW-DYZYQPBXSA-N 350.231 4.226 0 1 FIAF Oc1ccc(-c2cc(C[C@]3(O)CC[C@@H](Cc4ccccc4)CC3)no2)cn1 1772577508 DQZJLHKLVZQNTE-LMTLIKQPSA-N 364.445 4.149 0 1 FIAF Cc1ncc(-c2ccc3c(c2)N(c2cncc4[nH]ccc24)C(=O)C3(C)C)cn1 1857640035 GXJMSBHSODGFPG-UHFFFAOYSA-N 369.428 4.284 0 1 FIAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(Cc1ccc(F)c(F)c1)C2 2356290571 WSXCIASYBQGYCH-MRXNPFEDSA-N 358.388 4.004 0 1 FIAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)C=C[C@H](O)[C@@H]2C 2356541262 HZKKUYMQQTYDGZ-BBRMVZONSA-N 356.418 4.250 0 1 FIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CCC[C@H](C(=O)OC)[C@@]21C 2356654675 GQMLMDPVGSEQPG-JTQINKHRSA-N 360.450 4.290 0 1 FIAF NC(=O)c1ccc2c(c1)[C@H](NCc1ccccc1)CC1(CCCCC1)O2 763114 ZVALHZUVZOLLAF-LJQANCHMSA-N 350.462 4.102 0 1 FIAF O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCCC[C@H]1N1CCCC1 1656894 KWSRPMWFUYDWFC-DLBZAZTESA-N 355.309 4.059 0 1 FIAF CCc1ccccc1NC(=O)N1[C@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 4888213 CYEITZUQXDFFOX-AYHJJNSGSA-N 371.525 4.329 0 1 FIAF Nc1nc(N)c2c(Cl)c(CNc3ccc(Cl)c(Cl)c3)ccc2n1 13283425 KBKJXVMKCWBZLB-UHFFFAOYSA-N 368.655 4.367 0 1 FIAF COc1ccc([C@H]2c3cc(OC)c(OC)cc3C(=O)[C@H](C)[C@H]2C)cc1OC 14726838 UCHGPGXURWMCBZ-ZNLKAECVSA-N 370.445 4.321 0 1 FIAF biogenic,in-vitro COc1cc2c(cc1O)[C@@]1(CC=C(C)C)COc3cc(O)ccc3[C@@H]1O2 14819587 WLDDYRDGRVNYEY-LEWJYISDSA-N 354.402 4.227 0 1 FIAF biogenic O=C(O)C1(c2ccc3c(c2)OC[C@H](Sc2ccccc2)[C@H]3O)CCCC1 26396864 GNVGACCDRIPJFF-OALUTQOASA-N 370.470 4.170 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@@H](N)C3)s2)o1 40834017 NTUMJMHWGWBERQ-VXGBXAGGSA-N 366.556 4.403 0 1 FIAF O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O[C@H]3CCCCO3)ccc12 45300207 XGOMGNOHOLSJGJ-FQEVSTJZSA-N 366.369 4.094 0 1 FIAF CCC[C@H](CO)NCc1coc2cccc(OCC3CCCCC3)c2c1=O 53296725 DQVUPVCVAHATEA-GOSISDBHSA-N 373.493 4.003 0 1 FIAF COc1cc2nncc(-c3cnc(NC(C)C)c(Cl)c3)c2cc1OC 73314320 UEIDWTBBDULSKI-UHFFFAOYSA-N 358.829 4.183 0 1 FIAF O=C(CCC(F)(F)F)N1CCC(c2nc(C3CCCCC3)no2)CC1 82150826 IZBHZQCCOHROJP-UHFFFAOYSA-N 359.392 4.166 0 1 FIAF FCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1 84690690 JUZPAOCERXMLMW-UHFFFAOYSA-N 354.425 4.056 0 1 FIAF CCOC(=O)c1c(O[C@@H]2CCC[C@H](C)C2)cc(Cc2ccccc2)[nH]c1=O 95589830 OTMBEBSONSTDDC-MAUKXSAKSA-N 369.461 4.100 0 1 FIAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ccno2)c1 113756599 RBDURVWEFYGQPG-OAHLLOKOSA-N 350.418 4.082 0 1 FIAF Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1ccn[nH]1 220777929 XPRYXOUAFHGRNN-UHFFFAOYSA-N 370.456 4.277 0 1 FIAF Clc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2n1 587017070 GIBHGZGUZOTSFV-UHFFFAOYSA-N 354.822 4.337 0 1 FIAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 587067179 XBNLDSVCABLFEW-UHFFFAOYSA-N 371.868 4.238 0 1 FIAF Nc1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C(F)(F)F)c1 587095628 NPKJSVYJJZZPKV-UHFFFAOYSA-N 361.302 4.156 0 1 FIAF COc1ccc(Cl)c(-c2ccc(-c3nc4ncc[nH]c-4n3)cc2F)c1 587143832 ZUZBXNSYTOADLS-UHFFFAOYSA-N 354.772 4.440 0 1 FIAF COc1ccc(NC(C)(C)c2nc3cc(Br)ncc3[nH]2)cc1 587200974 CPGCNDNZOGCMAU-UHFFFAOYSA-N 361.243 4.076 0 1 FIAF CC(C)N(C)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332219 CQJXEPFXMAEMTK-RBBKRZOGSA-N 371.452 4.379 0 1 FIAF COc1cc2c3c(c1)O[C@@H](/C(=C\N(C)C)c1ccc(Cl)cc1)[C@@H](C2)C3=O 587421235 KTXDTPLCLLTEGG-OSZUCUMASA-N 369.848 4.067 0 1 FIAF COc1cc2c3c(c1)O[C@@H](C[C@H](C)c1cn(C)c4ccccc14)[C@@H](C2)C3=O 587431236 NBLXLWYYLMKVRB-ZLXGRDSLSA-N 361.441 4.497 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1/C=C/C(=O)O)CC2=O 587492940 ZNJNZTPRWFROAD-UFUQCMIWSA-N 352.386 4.149 0 1 FIAF O=C1C[C@H](c2ccc(Br)nc2)Oc2c1ccc1c2CCCC1 587499757 VBANDLCQUPXMQI-MRXNPFEDSA-N 358.235 4.429 0 1 FIAF Cc1oc(CCC(=O)O)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532769 NUFBPMGDJGPHLM-JOCHJYFZSA-N 368.429 4.365 0 1 FIAF COc1cc(C)ccc1OCc1nc2ccc(Br)c(F)c2[nH]1 587564734 XBALHCKGUQTRHC-UHFFFAOYSA-N 365.202 4.361 0 1 FIAF CCN(CC)CC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571814 MNCUBQUHEBRALT-NQIIRXRSSA-N 369.461 4.090 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ncccc2o1 587589969 ZALIOAYAHYLPCH-NQIIRXRSSA-N 359.337 4.236 0 1 FIAF Cc1cncc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587773462 IVDDVFJSMWUZMA-LRDDRELGSA-N 363.274 4.500 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C(=O)OCC)c1ccc(F)c(F)c1 963238663 VUENUOYWTFFYBQ-NYHFZMIOSA-N 373.443 4.428 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c(F)cc(Cl)cc1F 963607157 JGYYFVLXEXUDAN-DYBLOJMWSA-N 353.796 4.259 0 1 FIAF CCCCc1ccc([C@]2(c3ccnc(C)c3)c3c(cnn3C)CCN2C)cc1 963955405 POHAEDSCIHXSIU-DEOSSOPVSA-N 374.532 4.246 0 1 FIAF Nc1ncnn2c(-c3ccccc3)cc(-c3ccnn3C3CCCCC3)c12 1857564674 CJOVMRLQIXSSLQ-UHFFFAOYSA-N 358.449 4.347 0 1 FIAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]3(CCC[C@@H]3CNC3CCCC3)[C@H]1[C@H](O)C2 2356772936 MNVCSJUUUAOHID-YMFKIXATSA-N 361.570 4.017 0 1 FIAF Cc1cc(C=C2C(C(=O)O)=NCC[C@H]2O)c2c(C)ccc(C(C)C)cc1-2 2356795879 MOZCWBRWPVIUSL-LJQANCHMSA-N 351.446 4.205 0 1 FIAF C[C@@]12C[C@H]3C[C@@](C(=O)N[C@H]4CC[C@@H](N)CC4)(C1)C[C@@](c1ccccc1)(C3)C2 1911574446 TZNRCHUCVIMHIH-NPJZQCPOSA-N 366.549 4.301 0 1 FIAF Cc1ccc(NC(=O)Cn2cccc2C2=N[C@@H](c3ccccc3)CO2)cc1C 4970872 BDYWBQIQFRAOMP-HXUWFJFHSA-N 373.456 4.262 0 3 FIAF CCCCCOc1cc2c(cc1OC)C(C(=O)c1ccccc1)=NCC2 27558075 SQZGLNXEOCABGZ-UHFFFAOYSA-N 351.446 4.492 0 1 FIAF CC(C)C[C@@H]1CC(O)=C(C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1 100075862 DVDAPPSNQKTVOB-GOSISDBHSA-N 370.493 4.420 0 1 FIAF COc1ccc(NCc2c3ccoc3c(OC)c3oc(=O)ccc23)cc1 64549976 XRXVMGIOLMCWCI-UHFFFAOYSA-N 351.358 4.169 0 1 FIAF COc1c(-c2ccc(O)cc2)oc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 2356760466 LZNQBDHNIGPIFL-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF CC(C)(C)c1ccc(-c2noc(CCC(=O)Nc3ccccn3)n2)cc1 70463013 LILIKSQZMYEVSH-UHFFFAOYSA-N 350.422 4.000 0 1 FIAF O=C1c2ccc(NCCCN3CCCC3)cc2-c2nccc3cccc1c23 73311228 AROJOJHHBFSORT-UHFFFAOYSA-N 357.457 4.344 0 1 FIAF Cc1cccc(C)c1[C@H]1SCC(=O)N1c1cc(Br)ccn1 40950969 YAAIRVJKLBZZNS-MRXNPFEDSA-N 363.280 4.240 0 1 FIAF Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2=CCCC2)c1 42964482 IDKAQKKABQCPDY-UHFFFAOYSA-N 354.450 4.179 0 1 FIAF CNc1c(Br)cnc2[nH]c(-c3ccc(OC(C)C)cc3)nc12 84597049 SHXMHZWHWFGKIG-UHFFFAOYSA-N 361.243 4.216 0 1 FIAF NCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1 149540527 YTMKZJHQZCRMEM-UHFFFAOYSA-N 356.834 4.228 0 1 FIAF Cc1csc(-c2nc(N)c3cc(Cc4ccccc4F)sc3n2)n1 96908908 DFNCCBYZMPHKDD-UHFFFAOYSA-N 356.451 4.435 0 1 FIAF CCN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](C)c1ccc(Br)cc1)C2 254103460 SARCZMQJOSUZFB-KCXAZCMYSA-N 366.299 4.111 0 1 FIAF O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCC[C@H]3[C@@H]2C(=O)N1c1ccccc1 263602487 MJDPELULEMYNCS-IPZZXCBHSA-N 356.425 4.338 0 1 FIAF O=C(c1ccc(OCCCN2CCC(c3ccncc3)CC2)cc1)C1CC1 2382216720 XFNQPNJGEZOKCM-UHFFFAOYSA-N 364.489 4.323 0 1 FIAF COc1ccc2oc(-c3cccc4ccccc34)c(CCNC(C)=O)c2n1 653788053 VSSABVWRNALCDM-UHFFFAOYSA-N 360.413 4.335 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2F)N1 587726727 ZHLZVKUISPMBHW-BCTVWOGZSA-N 356.185 4.490 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 586916496 MQJNEYYXCJYMHW-NYHFZMIOSA-N 363.461 4.472 0 1 FIAF FC(F)(F)Oc1ccc2c(-c3nc4nc(Cl)ccc4[nH]3)n[nH]c2c1 587127375 RQKRCEOFWWYCQC-UHFFFAOYSA-N 353.691 4.053 0 1 FIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cccc(C)c4[nH]3)c2)c1 587235585 ORUQXSIKUVUWCP-UHFFFAOYSA-N 355.441 4.489 0 1 FIAF Clc1ncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)s1 587023395 OYXUAIWEXRDSLU-UHFFFAOYSA-N 350.028 4.151 0 1 FIAF CCOc1ccccc1OCc1nc2c(C)c(Br)cnc2[nH]1 587780470 UYFGDXDPWUMMBJ-UHFFFAOYSA-N 362.227 4.007 0 1 FIAF CC[C@@H]1C[C@H]([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCO1 587833086 LWPYUHWNMVWEKI-ZKAWZIJESA-N 356.279 4.369 0 1 FIAF CC(C)(C)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2n1 586981350 ABGGHTFFKOCKCZ-UHFFFAOYSA-N 358.239 4.497 0 1 FIAF Cc1cnc2[nH]c(-c3cc(I)ccc3Cl)nc2c1 587183015 QKALYEQCXVBITO-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF CCOC(=O)[C@@H]1[C@H]2Cc3nc4c(C)ccc5c4c(c3[C@@H]21)-c1ccccc1C5=O 587097617 MQZINFRTSNLQNV-ZAAXVRCTSA-N 369.420 4.203 0 1 FIAF Cc1ccc(CCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1N 587250645 OMVQSAFUPZCECS-UHFFFAOYSA-N 366.209 4.279 0 1 FIAF CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@H]1C 587106714 NNJMWBUMIYQZES-CXAGYDPISA-N 371.436 4.360 0 1 FIAF FC1(F)Oc2cc3nc([C@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc2O1 587079886 IENALCKXNROACQ-CQSZACIVSA-N 350.708 4.214 0 1 FIAF Cc1cc(Br)c2[nH]c(-c3cccc(NC(N)=O)c3C)nc2c1 587238073 AOEJUMAJXIRGSS-UHFFFAOYSA-N 359.227 4.100 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(Cc3ccco3)c1C)O2 587390477 QIRSGSWLVGGQAO-FQEVSTJZSA-N 350.418 4.343 0 1 FIAF Oc1c(-c2nc3c(F)cnc(Br)c3[nH]2)ccc2c1CCCC2 586897713 IGIRYAZIQJQGRT-UHFFFAOYSA-N 362.202 4.111 0 1 FIAF CC(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587813102 ASFVQEBRIQVEPS-MGNBDDOMSA-N 362.242 4.414 0 1 FIAF CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587447807 VTFYRCVFIMBTGW-KUETTWRLSA-N 372.461 4.263 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(C)cc1OC)[C@@H](C2)C3=O 587419637 FOMHWXYDQIBUCB-XOBRGWDASA-N 358.821 4.328 0 1 FIAF CCOC(=O)c1ccc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 587945453 FDSGVKIXRNRCLH-CQSZACIVSA-N 350.418 4.021 0 1 FIAF COc1cc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)ccn1 587107336 RAPCEBBYPSZASM-UHFFFAOYSA-N 352.393 4.441 0 1 FIAF COc1ccc(Cl)c2c1CCNC21[C@@H](C)[C@H]2CC(CO)C[C@@H](C2)[C@@H]1C 963269303 HYNDNCDRWRTYCG-LSBVOHDBSA-N 363.929 4.000 0 1 FIAF CC(C)(C)OC(=O)n1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)n1 963116023 BOUHXXGEGDLHTC-HNNXBMFYSA-N 368.264 4.208 0 1 FIAF Cc1cc(-c2ccoc2)cc([C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1 1772609838 DKUQJFPELDXTEG-HNNXBMFYSA-N 364.449 4.126 0 1 FIAF CCCCC/C=C1\C[C@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O 5972956 SJBCBDAKOWZLGU-KRWRZEAGSA-N 368.514 4.033 0 1 FIAF O=C(c1ccc(F)cc1)C1CCN(CC[C@H]2Cc3ccccc3C2=O)CC1 12356224 AVNSTIVMFUJDDN-IBGZPJMESA-N 365.448 4.166 0 1 FIAF C[C@]12C[C@H](CCOCCF)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13610545 NHMZVMVWBFWDCK-USUWBSJTSA-N 362.485 4.212 0 1 FIAF Cc1cc(OCCOc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1 169346026 HJLKXFNJURETHS-UHFFFAOYSA-N 374.444 4.133 0 1 FIAF Cn1ncc2c(NC3(c4ccc(C(F)(F)F)cc4)CC3)nc(C3CC3)nc21 1857758407 NVBNLGCHMMFYDD-UHFFFAOYSA-N 373.382 4.361 0 1 FIAF CCOC(=O)c1ccc(NC(=O)CSc2c[nH]c3ccccc23)cc1 3582081 FVAMJXZTCWAYAL-UHFFFAOYSA-N 354.431 4.075 0 1 FIAF COc1c2c(cc3ccoc13)CC[C@@H](C/C=C/C=C/C(=O)NCC(C)C)O2 15204173 QXUGXSMOZSERHH-GKJPYWIOSA-N 369.461 4.410 0 1 FIAF CCCCN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 27861592 LSOMCXBDJUJJMU-QZTJIDSGSA-N 365.429 4.141 0 1 FIAF CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(OC(C)=O)c1-3 40896067 ICIICPHBNXIOKJ-LJQANCHMSA-N 351.446 4.153 0 1 FIAF in-vivo COc1ccc(CNc2nccc3ccc(-c4ccc(N)nc4)cc23)cc1 45338637 AUXUNSUBCXRQOL-UHFFFAOYSA-N 356.429 4.500 0 1 FIAF COc1ccc(-c2cc(NC3CCC(C)CC3)ncn2)c(OC)c1OC 82160680 CHWBVGSDAISUDB-UHFFFAOYSA-N 357.454 4.160 0 1 FIAF CCOC(=O)c1c(OC2CCCCCC2)cc(Cc2ccccc2)[nH]c1=O 95592581 MXAGGXLTYCNCHV-UHFFFAOYSA-N 369.461 4.244 0 1 FIAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCCCC1 144694786 HPNZRSICFOYTOP-LJQANCHMSA-N 361.363 4.091 0 1 FIAF COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)c(F)c1 165114681 WAPOOEHGCVGZQP-UHFFFAOYSA-N 368.433 4.059 0 1 FIAF CCCCCCc1ccc(Oc2nc(-c3ccncn3)cc(=O)n2C)cc1 205415667 OOGAFNVYTMIMPI-UHFFFAOYSA-N 364.449 4.152 0 1 FIAF Nc1ncc(-c2ccc(-c3ccccc3Oc3ncccn3)cc2F)cn1 224841584 ZQYUFFGCGXPBIS-UHFFFAOYSA-N 359.364 4.114 0 1 FIAF CN(CC1CC1)[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(F)(F)F)cc1 299811379 KUVXOCFMCXAUHS-ZWKOTPCHSA-N 368.443 4.430 0 1 FIAF Oc1ccc(C2(c3nc4cc(Br)c(F)c(F)c4[nH]3)CC2)cc1 586896252 MTFYRXLCPOQUND-UHFFFAOYSA-N 365.177 4.389 0 1 FIAF CC(C)Oc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586998177 YPKBOMQUGVCOJI-OAHLLOKOSA-N 374.282 4.355 0 1 FIAF Cc1c(-c2nc3c(C)c(F)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030082 WWRYTCQMYDIYJP-UHFFFAOYSA-N 354.410 4.160 0 1 FIAF N[C@@H](N=O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074821 CVOLDNPFXYHMJE-MSOLQXFVSA-N 369.856 4.277 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1Br)O2 587380659 BHPRBAGUQLRZMM-AWEZNQCLSA-N 350.187 4.185 0 1 FIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC1CC1 587399796 MKFSIWSZHYIRJW-LJQANCHMSA-N 353.418 4.081 0 1 FIAF CC[C@@H](C)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587402257 WKAFWAHKIAYEEM-BFUOFWGJSA-N 355.434 4.470 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OC)C[C@@H](C)O3)CC2=O 587491204 NTIQUNPEPFQXGK-XUSGNXJCSA-N 368.429 4.383 0 1 FIAF O=C1C[C@]2(CCOc3cc(F)cc(F)c32)Oc2c1ccc1c2CCCC1 587507756 NZONSCTVYLCNFA-NRFANRHFSA-N 356.368 4.487 0 1 FIAF Cc1cc(C)cc(-n2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)c1 587515080 JCZGXSYJWXYJAX-QFIPXVFZSA-N 373.456 4.469 0 1 FIAF CC[C@H](C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587583410 VYOGQEDATKBEQU-NVMYHKGLSA-N 364.401 4.263 0 1 FIAF Cc1cccc2c1NCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591974 FRZNCNVWHWUSLV-WMZHIEFXSA-N 373.408 4.373 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COc2cccc(F)c2)N1 587728963 GFNBTSLWWBZOED-BTDLBPIBSA-N 368.221 4.382 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cn(C)nc3c2)N1 587758264 IGFDFGJYTLYFGX-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccccn23)N1 587775523 RKNRCDIKIOAJJT-BBATYDOGSA-N 374.257 4.034 0 1 FIAF Nc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1N 587785242 ZGUNRJHMPOXJTB-FLIBITNWSA-N 356.429 4.477 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cnccc23)N1 587802185 KSKJYBZYCWGBEH-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2C=O)N1 587844412 NSTHZFLCGQLUPT-GLEZIHRCSA-N 354.244 4.086 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C=O)s2)N1 587845793 FSKTYZLMPBLIBB-XXFAHNHDSA-N 368.271 4.260 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3sccc32)N1 587854539 CQDXPBGLRMRPNQ-FVMDXXJSSA-N 352.272 4.374 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)on1 587857927 BZVDXPHKOPNOOK-UHFFFAOYSA-N 366.204 4.241 0 1 FIAF CO[C@@H](C)COC1CCC(c2nc3cccc(Br)c3[nH]2)CC1 587952173 MGWDWFNBDZGXMD-HIFPTAJRSA-N 367.287 4.403 0 1 FIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](C3CCC(F)(F)CC3)N12 962645982 SJNCSJDGAUPICH-UTKZUKDTSA-N 374.431 4.200 0 1 FIAF CCSCC[C@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963180016 FWBKYQYMCBIYEB-CHWSQXEVSA-N 367.820 4.142 0 1 FIAF O=C(OCCCc1ccccc1)N(c1ccccc1)[C@H]1CN2CCC1CC2 1857545366 BDKHSETYUSIWLB-QFIPXVFZSA-N 364.489 4.357 0 1 FIAF CCN1CCc2c(sc(NC(C)=O)c2-c2nc3cnccc3s2)[C@H]1C 1857581781 GPSDVNKHELKOPJ-SNVBAGLBSA-N 372.519 4.317 0 1 FIAF CCO[C@H]1C=C[C@H]2CC=CC[C@H](c3ccc(Cl)cc3)OC(=O)C[C@@H]1O2 1857626485 BHYRXNDJECEOBG-YRXWBPOGSA-N 362.853 4.393 0 1 FIAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@@]2(C)C(CCC(C)=CCO)=C(C)[C@H]1O 2356484617 BIBTUYYDRZOYNN-JBPLPALLSA-N 364.526 4.161 0 1 FIAF CCCCN(C(=O)CCC)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 2356845375 OEDWUIFOCCLGAF-HXUWFJFHSA-N 359.514 4.000 0 1 FIAF Cc1cc(-c2cnc3nc(O)ccc3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2 2382238380 ARQBIVFDCRVRFZ-ZDUSSCGKSA-N 359.429 4.065 0 1 FIAF N=C(N)c1ccc2oc(/C=C/c3cc4cc(C(=N)N)ccc4s3)cc2c1 6567350 DYIAXKXZIHLOAU-ONEGZZNKSA-N 360.442 4.386 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 13298273 MPXJSJVWSXWSNI-TUIXVWQOSA-N 372.505 4.265 0 1 FIAF COc1cc(O)c2c(c1)C[C@H](CCCCCCCCCCCO)OC2=O 13460273 ZDPCSIHANCPXFE-KRWDZBQOSA-N 364.482 4.376 0 1 FIAF biogenic O=C1Nc2cccc3c2[C@]1(CCCCN1CCc2occc2C1)CCC3 13817857 HYPWGIMZDOLBLN-QFIPXVFZSA-N 350.462 4.034 0 1 FIAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@@H](CC1CCCC1)C2 27636264 JTVVMYLRHFDGOB-NSHDSACASA-N 357.233 4.392 0 1 FIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4C=C(O)C=C[C@]4(C)[C@H]3CC[C@]12C 36188911 ZFZLLLFBWBJQJN-BVNFWDBPSA-N 370.537 4.386 0 1 FIAF C[C@H](CN(C)C)Oc1ccc2oc3ccc(O[C@H](C)CN(C)C)cc3c2c1 39208134 AZTHSPGRZOVNLT-HZPDHXFCSA-N 370.493 4.244 0 1 FIAF Nc1c(C(=O)c2ccccc2Cl)cc[n+]([O-])c1-c1ccccc1Cl 42919951 RCVRFDVNPYJKTR-UHFFFAOYSA-N 359.212 4.107 0 1 FIAF COc1cc2ncnc(N(C)c3ccc(Br)cc3)c2cc1OC 64447122 OUUYSOQUJSGYAG-UHFFFAOYSA-N 374.238 4.177 0 1 FIAF CO/C(=C\c1ccc(OC)cc1)C(=O)Nc1ccc(Br)cc1 73198589 AMDFKGATJNVFMD-WJDWOHSUSA-N 362.223 4.084 0 1 FIAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCC(C)C)ncnc21 82177851 BGFUIUWZIUMBIR-AWEZNQCLSA-N 353.470 4.313 0 1 FIAF CC[C@@H](C(=O)N[C@H]1COc2ncccc21)c1ccc(Cl)cc1Cl 146698403 NUGDKPBRJBUNTN-ABAIWWIYSA-N 351.233 4.132 0 1 FIAF O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1CCCc2ncsc21 220892045 XFSUJLOYRDBHLR-LBPRGKRZSA-N 355.290 4.229 0 1 FIAF Cc1cc2c3cnccc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1 299829771 SBLADHMPNVHYCB-UHFFFAOYSA-N 367.456 4.377 0 1 FIAF Cc1cc(Br)c2nc(-c3ccc4oc(=O)ccc4c3)[nH]c2c1 586916683 SLDDSXINSKLTIM-UHFFFAOYSA-N 355.191 4.407 0 1 FIAF CC(C)(SCC(=O)O)c1nc2cc(Br)cc(Cl)c2[nH]1 586958515 HSRAGBJPKURRAV-UHFFFAOYSA-N 363.664 4.032 0 1 FIAF O=C(O)c1cccnc1SCc1nc2cc(Cl)cc(Cl)c2[nH]1 586967230 RGTWOHDCIQQDIP-UHFFFAOYSA-N 354.218 4.255 0 1 FIAF COC(=O)c1ccnc2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 587047752 BLLDVENVURAZFQ-ZJUUUORDSA-N 362.216 4.322 0 1 FIAF Fc1nc(Cl)ccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587177716 VSBOFOZCWZAQPA-UHFFFAOYSA-N 366.652 4.467 0 1 FIAF O=NCc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587189655 DMFDPFGTTBPDHF-UHFFFAOYSA-N 351.591 4.307 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccnc1N(C)C)CC2=O 587462016 VRKLASTYIHPTQE-INIZCTEOSA-N 360.841 4.166 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccc(C)c1)CC2=O 587470468 OCWXFUBOORZGJH-QFIPXVFZSA-N 367.445 4.406 0 1 FIAF C[C@H](Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587521044 HYGQYPLCIPJWRC-RBZFPXEDSA-N 366.413 4.124 0 1 FIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587558473 SKZHYGBGAPOTEF-RXVVDRJESA-N 366.344 4.243 0 1 FIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587570669 XBRNAOZCBUYTST-GHTZIAJQSA-N 366.344 4.243 0 1 FIAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C12CCC2 587601324 RZOJVNSRPYYMLH-JBYIUTFZSA-N 366.413 4.072 0 1 FIAF CNc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587740004 BZYXIHQZAPYSMQ-VOJFVSQTSA-N 363.274 4.428 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccoc3cn2)N1 587777456 HWHGJXGHBMRMFO-VVVCHXIZSA-N 361.214 4.353 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nc[nH]c3c2)N1 587801024 CFBXMLIIGMEUAP-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF COc1ccsc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587844169 MYGOGWRVTPISRQ-JDNHERCYSA-N 370.287 4.456 0 1 FIAF CN1Cc2c(C3=CCNCC3(C)C)[nH]c3nccc(c23)-c2cc(F)ccc21 1772655721 YQOWAASGACHAEC-UHFFFAOYSA-N 362.452 4.332 0 1 FIAF CCO[C@@H]1OC(=O)C(Br)=C1Nc1ccc(-c2ccccc2)cc1 1857761437 ZTBMNAGWCNWRLG-GOSISDBHSA-N 374.234 4.291 0 1 FIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2[C@H](OC)c3occ(C)c3[C@H](O)[C@]2(C)[C@@H]1C 2356544051 ASJPEAYAKQIGTC-HEQQAVIZSA-N 362.466 4.253 0 1 FIAF O=C(NCc1cccs1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61904390 KSCJWCAVXWOKOL-QGZVFWFLSA-N 370.861 4.083 0 3 FIAF CSc1ccc(CN2CC[C@]2(C)C(=O)N[C@@H]2CCc3ccccc32)cc1 61925843 LXODSPSAKYHCCS-IFMALSPDSA-N 366.530 4.177 0 3 FIAF CCCCCCC(=O)N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199358487 LXXBMKPMWHKOFJ-GOSISDBHSA-N 364.917 4.308 0 3 FIAF CCN(CC)c1ncnc2sc(C(=O)Nc3ccccc3F)c(C)c12 2925858 MHJMLSVXDKEATL-UHFFFAOYSA-N 358.442 4.237 0 1 FIAF COc1ccc(C2=NN(C3CCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC 26572131 QWPPDUCOFLWBIF-QZTJIDSGSA-N 368.477 4.165 0 1 FIAF Cn1c2c(c3cc(F)ccc31)CN(CCCC(=O)c1ccc(F)cc1)CC2 27741548 RYAPDEMZJREJTM-UHFFFAOYSA-N 368.427 4.478 0 1 FIAF CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1C[C@H](C)C2 28707893 PMKPDYRYHRNWDL-NSHDSACASA-N 362.520 4.279 0 1 FIAF COc1ccc(-c2cc([C@H](C)C(=O)O)ccc2C[C@H]2CCCC2=O)cc1 72104865 MUMHZZLGKYTZBE-KBXCAEBGSA-N 352.430 4.462 0 1 FIAF COc1c(CN(Cc2ccccc2)C(C)=O)ccc2c1OC(C)(C)C=C2 72178859 XAEVOMUVLMWZAW-UHFFFAOYSA-N 351.446 4.428 0 1 FIAF COC(=O)[C@]1(C)CCCC2=C1CC[C@H](C)[C@@]21C[C@H](c2ccoc2)OC1=O 85692419 CRSACJNXOSEYLN-AUNMJURBSA-N 358.434 4.344 0 1 FIAF biogenic CCc1ccccc1-c1ccc2nc(NC(=O)NCCN(C)C)sc2c1 95602275 HZTRFYKKMCHMIG-UHFFFAOYSA-N 368.506 4.209 0 1 FIAF CCN(CC)CCOc1nc2cc(-c3ccccc3)nn2c2ccccc12 96933155 CVBNCGNOAGSRRZ-UHFFFAOYSA-N 360.461 4.270 0 1 FIAF OC1=C2C(=Nc3ccnn3[C@H]2c2ccc(Br)c(F)c2)CCC1 100787775 JLCMEXBQLCMQEM-INIZCTEOSA-N 362.202 4.456 0 1 FIAF 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 101012224 MYSCRCYTMZPVTC-IKIBPHCXSA-N 361.526 4.305 0 1 FIAF COc1ccc(NC(=N)c2ccccc2)cc1C[S@@](=O)C1CCCC1 169352381 QHFZIPSASAAIHW-RUZDIDTESA-N 356.491 4.324 0 1 FIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1 299874679 BULJOBPTLVSSJU-ZACQAIPSSA-N 366.509 4.154 0 1 FIAF C1=CN2CCCN3C=CC(=NCCCN=C1c1ccccc12)c1ccccc13 377482985 MOSIZFCDSISEBV-UHFFFAOYSA-N 368.484 4.426 0 1 FIAF O[C@@H]1C[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)c2ccccc21 586905032 XMMHRXUXZBNOQM-JOYOIKCWSA-N 365.177 4.173 0 1 FIAF COC(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1OC 587085818 JLEVJXJWGBEKHV-UHFFFAOYSA-N 367.792 4.227 0 1 FIAF CCOC(=O)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587105775 DVEKLTZBSMULIC-QGZVFWFLSA-N 357.409 4.429 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ncccc3C(F)(F)F)nc2c1 587107671 DUQLYYRJBMZKBK-UHFFFAOYSA-N 355.703 4.084 0 1 FIAF COc1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2n1 587164026 QJSHGTVTTUSUHL-UHFFFAOYSA-N 362.364 4.025 0 1 FIAF O=c1c(-c2nc3cc(Cl)cnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172212 ZVYOGGKAWNSINL-UHFFFAOYSA-N 372.762 4.206 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)C)cc1)(C(C)(C)O)O2 587404560 RTEPCLGYOQGUIU-JOCHJYFZSA-N 353.462 4.332 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)(F)F)cc1C)[C@@H](C2)C3=O 587420655 GMGYTDMAEDHSFX-KSSFIOAISA-N 364.319 4.391 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1Br)CC2=O 587461762 YSZCASQQMHKXHA-OAHLLOKOSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1ccc(Cl)cc1)CC2=O 587462194 NYGCBSIHDZWHMM-FQEVSTJZSA-N 374.820 4.032 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3SCCS[C@H]31)CC2=O 587497369 CCXDVGGTIOJZLI-KBAYOESNSA-N 350.505 4.060 0 1 FIAF CC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601422 FXLMSDRBGBXCGS-NFBKMPQASA-N 374.392 4.472 0 1 FIAF CC[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608829 MJTAXQODDNCJPW-UGKGYDQZSA-N 362.381 4.365 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(C(C)(C)C)N1 587740309 JEQRGHOHAUWWGV-OEUBAOLHSA-N 369.322 4.439 0 1 FIAF CCCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587762773 FXRHEYSQRVYMCS-DYZYQPBXSA-N 366.278 4.127 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2C(C)(C)C)N1 587808370 ZDLVNXJAZVARIV-RFAUZJTJSA-N 366.278 4.232 0 1 FIAF CO[C@@H]1[C@H](C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587813679 WMIVRASCHXBQPQ-BAVSNKJRSA-N 356.279 4.009 0 1 FIAF CO[C@H](C)COC1CCC(c2nc3ccc(Br)cc3[nH]2)CC1 587951589 HLUQLIVNGKJPBX-LKSINWNRSA-N 367.287 4.403 0 1 FIAF CON1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@@H]1c1cccc(O)c1 653869280 WFVCDMQYDODBGI-ACIOBRDBSA-N 372.424 4.465 0 1 FIAF Cc1nn(-c2ccccn2)c2cc(-c3ccc([C@@H](C)CC(=O)O)cc3)ncc12 1772570689 BWZCUJWBEZQHAP-AWEZNQCLSA-N 372.428 4.369 0 1 FIAF CO[C@H]1CC[C@H](Nc2ccc3nnc(-c4cccc(Cl)c4)n3c2)CC1 1772582731 CNZHYCOOHWGPNC-JCNLHEQBSA-N 356.857 4.419 0 1 FIAF COc1cc(/C=C/C(=O)O)ccc1OCCCCCCN1CCCCC1 1772643016 VYHSSRYMBFDMPM-ZRDIBKRKSA-N 361.482 4.218 0 1 FIAF Cc1c([C@H](C)n2cnc3ncc(-c4ccncc4)nc32)ccc2ncccc12 1857581530 JVGKUMHPYPYEAK-HNNXBMFYSA-N 366.428 4.354 0 1 FIAF COC(=O)C1(C(=O)OC)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@H]12 2356454342 INTWVMASYRXTLY-GHTZIAJQSA-N 370.445 4.078 0 1 FIAF COc1ccc([C@@](C)(O)c2nc(-c3ccc(F)cc3OC)cs2)cc1 61906960 MUTYZDOWQPBJMA-LJQANCHMSA-N 359.422 4.222 0 3 FIAF CCCOc1ccc(F)cc1-c1cc(C(=O)NCc2ccc(F)cc2)[nH]n1 61926826 MMKOTYUWVHRHTG-UHFFFAOYSA-N 371.387 4.074 0 3 FIAF NC(=O)Nc1ccc(Cc2ccc(CCCCCCC(=O)O)cc2)cc1 1535367 PBDRPBFECGUOAU-UHFFFAOYSA-N 354.450 4.346 0 1 FIAF Cc1cc(=O)n(Cc2ccccc2F)c2c1c(C)nn2-c1cccc(F)c1 6917774 WXDKASNLSISUNW-UHFFFAOYSA-N 365.383 4.131 0 1 FIAF Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@H]1CCNC1 13443165 HREICXYSTRPUKL-INIZCTEOSA-N 371.444 4.007 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26571948 NDVMSTHWOUOSMI-MSOLQXFVSA-N 364.445 4.261 0 1 FIAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccn(C(C)C)n1 26674934 XTLXHNCAFBMIOM-UHFFFAOYSA-N 364.471 4.254 0 1 FIAF Cc1nc2c(cnn2C2CCCCCC2)c(=O)n1-c1ccc(Cl)cc1 28951884 PFVXFJJFVXQNFL-UHFFFAOYSA-N 356.857 4.439 0 1 FIAF CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(C(F)(F)F)c23)N1CC(C)C 28953780 MXLDOEZNFXTHCZ-LLVKDONJSA-N 354.372 4.180 0 1 FIAF O=C(c1cccs1)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 35310409 PFVHJRXWVNVUQZ-CYBMUJFWSA-N 359.838 4.429 0 1 FIAF COc1cc2c(cc1OC)C(=O)C[C@H](c1ccc(N3CCCC3)cc1)O2 45391342 JSBJMCJJTCDOLI-GOSISDBHSA-N 353.418 4.011 0 1 FIAF COc1cc(OC)cc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(C)=O)c1 64633893 PGRFTAZYCSSNKM-LJQANCHMSA-N 358.825 4.055 0 1 FIAF COc1ccc([C@H]2Nc3cccc(O)c3C(=O)N2Cc2ccccc2)cc1 66156519 VJEKXCOOSXEYGY-NRFANRHFSA-N 360.413 4.168 0 1 FIAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N2CCCC2)c1 82145749 UKDKRRVIIQYGKC-UHFFFAOYSA-N 364.493 4.433 0 1 FIAF Cc1ccccc1-n1c(SCc2cccc(F)c2)nc2nncc-2c1O 101487570 AKNGHAMPNJSLRJ-UHFFFAOYSA-N 366.421 4.213 0 1 FIAF O=c1c2ccccc2nc(-c2ccccc2)n1-c1nc2cc(O)ccc2s1 103203948 RHOSXXCSXMRGDK-UHFFFAOYSA-N 371.421 4.368 0 1 FIAF c1ccc(N2CCN(Cc3cn(-c4ccccn4)c4ccccc34)CC2)cc1 103265604 HSLSFIHZBAEOEB-UHFFFAOYSA-N 368.484 4.348 0 1 FIAF CO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccc(-c2cccc(Cl)c2)o1 103348521 CPXIIAKBKJFKOF-IDTYTIONSA-N 362.838 4.406 0 1 FIAF Cc1ccc(CSc2nc3nncc-3c(O)n2-c2cccc(C)c2)cc1 103893055 ZGXUGQIBGHDRIV-UHFFFAOYSA-N 362.458 4.382 0 1 FIAF CCOc1ccc(CN2C(=O)CCC[C@H]2c2c(OC)cccc2OC)cc1 167472051 MBEZYQYMHWTYCR-SFHVURJKSA-N 369.461 4.356 0 1 FIAF CCOc1ccc(CN2C(=O)CCC[C@@H]2c2c(OC)cccc2OC)cc1 167472156 MBEZYQYMHWTYCR-GOSISDBHSA-N 369.461 4.356 0 1 FIAF Cc1ccc2c(c1)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]1N2 169327195 RKRCSBVUHKDOLG-TZIWHRDSSA-N 352.453 4.381 0 1 FIAF C[C@@H](CO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=S)OC[C@]4(C)[C@H]3CC[C@@]21C 169338636 JIAXPKPFEUBJEA-QUDITLTGSA-N 365.583 4.089 0 1 FIAF O=C(O)c1cc(F)cc2[nH]c(-c3cc(Br)ccc3Cl)nc12 236458038 QIHURCDBANCTJA-UHFFFAOYSA-N 369.577 4.483 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4ccc(F)c(C)c4[nH]3)n2C)cc1 586964959 CBEFKFVRNAEVHD-UHFFFAOYSA-N 367.453 4.407 0 1 FIAF COc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1OC 587005407 VMGFOAFLDHDVLX-UHFFFAOYSA-N 368.618 4.058 0 1 FIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1 587041550 XISRWWIIPUDCHP-SFHVURJKSA-N 367.474 4.158 0 1 FIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 587075996 PZSDEIOOLJKTCW-UHFFFAOYSA-N 370.771 4.215 0 1 FIAF O=C(CCc1nc2cccc(OC(F)(F)F)c2[nH]1)Nc1cccc(F)c1 587164009 XCESXURMYNXUJY-UHFFFAOYSA-N 367.302 4.172 0 1 FIAF CC[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357004 LZRBEOFUIPWGCG-BSIFCXSSSA-N 356.393 4.218 0 1 FIAF COc1cccc([C@]2(C[C@H]3CCCO3)CC(=O)c3cc(C)cc(N)c3O2)c1 587412679 NXDOPJFRZFVXRZ-VGSWGCGISA-N 367.445 4.016 0 1 FIAF CCOC(=O)c1c(Cl)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420904 JNFXRUZIKRRRFC-BFUOFWGJSA-N 372.804 4.014 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc4sc(C=O)cc4s1)[C@@H](C2)C3=O 587451704 JYXQSEUAWNLXJN-VOJFVSQTSA-N 356.424 4.273 0 1 FIAF C[C@@]1(c2ccc(Cl)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551074 CSWHOZLTNHVHPG-XLIONFOSSA-N 367.788 4.318 0 1 FIAF Cc1c[nH]c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 587588169 JXUYQJKLIJXFRY-RXVVDRJESA-N 372.380 4.280 0 1 FIAF Cc1cc(C)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587608853 MXVSYSAIUXLSGQ-AVRDEDQJSA-N 362.381 4.418 0 1 FIAF CC1(C)CSC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587620419 ZGWPUSXCDSOJFT-OXJNMPFZSA-N 356.443 4.256 0 1 FIAF O=C(O)CCC(=O)Nc1c(-c2ccc(F)cc2F)[nH]c2cccc(F)c12 587634922 VCLKPQNRWVGIKI-UHFFFAOYSA-N 362.307 4.056 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2N)N1 587693433 DGGMMGRMFOAVIT-BCTVWOGZSA-N 369.665 4.447 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ncccc32)N1 587776163 BIUWNZIJZAOHJW-ADLMAVQZSA-N 361.258 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(C)(C)C)(C(=O)O)N1 587827959 MOEWDQLINXTLTP-BMLIUANNSA-N 372.278 4.229 0 1 FIAF Cc1ccnc2c1CCN[C@]2(C)c1ccccc1NC(=O)CCC(C)C 963069528 NGHKTRULEGISFL-JOCHJYFZSA-N 351.494 4.174 0 1 FIAF Cc1cc(-c2ccc(CCC(=O)O)cc2)cc2c1cnn2-c1ccccn1 1772605707 XUMMQHUQAJNAJE-UHFFFAOYSA-N 357.413 4.413 0 1 FIAF Clc1ccccc1-c1nnn(CCCN2CCC[C@H]2c2ccccc2)n1 1857559432 IDRDFUKGZBHEKK-IBGZPJMESA-N 367.884 4.221 0 1 FIAF Cc1ccc2nc(CO[C@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]3F)[nH]c2c1 2356302575 ZGGJGUFZMZVRJW-LPHOPBHVSA-N 373.859 4.264 0 1 FIAF Cc1cncc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)c1 3814804 LMVUBDIWWHZROU-UHFFFAOYSA-N 358.850 4.176 0 1 FIAF Cc1cccc2c(OCc3ccccn3)nn3c(-c4ccccc4)nnc3c12 13560014 NURMFSYNABAOFU-UHFFFAOYSA-N 367.412 4.227 0 1 FIAF CC(C)Cc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651102 YDBOXDBVMJRIMU-NRFANRHFSA-N 374.484 4.383 0 1 FIAF C[C@H](O)CCCCCCCCCC[C@H](O)CCC[C@@H]1CC[C@@H](O)[C@@H](C)N1 14416483 JKIBIUKLWMZLGX-AHJNKEMKSA-N 371.606 4.301 0 1 FIAF biogenic O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc2nnsc2c1 95581552 ATXCPNPLXNRLKB-UHFFFAOYSA-N 352.341 4.032 0 1 FIAF O=C1CS[C@H](c2cc3ccccc3nc2S)N1c1ccc(F)cc1 103175748 PGTUWQLMUUMYLR-GOSISDBHSA-N 356.447 4.441 0 1 FIAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3scnc3C)c2)cc1 113763737 ZONBYIKECLGYMW-AWEZNQCLSA-N 366.486 4.205 0 1 FIAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(C2CC2)cc1 117587538 QZBFSODRWWYWEQ-UHFFFAOYSA-N 365.477 4.075 0 1 FIAF CN1CCC[C@](NC(=O)c2ccc(C(F)(F)F)cc2)(c2ccccc2)C1 169335861 GHYQVCVNUSSGJV-LJQANCHMSA-N 362.395 4.056 0 1 FIAF C[C@@H]1CC[C@@H]2[C@H](CCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@H]1[C@]32O4 253791473 SGGGMRQESKILIB-YKVNRIEVSA-N 370.489 4.466 0 1 FIAF C[C@H](O)[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 255202928 CPDJBCSZDAPYNC-QJKKMYABSA-N 361.570 4.135 0 1 FIAF CC(C)COc1cc(/C=C/C(=O)O)ccc1OC(=O)CCc1ccccc1 299830495 WZVOYIFVIAFISZ-FMIVXFBMSA-N 368.429 4.357 0 1 FIAF c1ccc(CNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 473170803 RRSAWZIITVDFOE-QHCPKHFHSA-N 359.469 4.135 0 1 FIAF Clc1ccnc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 587012158 GYTABOPVBIHLBS-UHFFFAOYSA-N 355.648 4.375 0 1 FIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 587043470 RDBQOGCNSJFBOZ-SECBINFHSA-N 359.829 4.115 0 1 FIAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C(=O)O)CC4)-c1ccccc1C2=O 587100685 FAKXVKPIWVPHOM-CYBMUJFWSA-N 357.409 4.334 0 1 FIAF N[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Br)cc1F 587142567 FKOKDXLZHYBDSL-LBPRGKRZSA-N 368.637 4.360 0 1 FIAF COc1ccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c(F)c1 587149429 SCMNNZYVFFVHMK-UHFFFAOYSA-N 370.609 4.112 0 1 FIAF CCSC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587368886 AXSXJAYQSTZBIA-ICSRJNTNSA-N 374.433 4.319 0 1 FIAF CCSC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587368887 AXSXJAYQSTZBIA-QUCCMNQESA-N 374.433 4.319 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(Br)cnc3o1)O2 587370102 BSZOMEGWKIDBJA-HNNXBMFYSA-N 373.206 4.187 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2COc2ccccc21 587406961 GFDCRDMUSVRKCD-HSZRJFAPSA-N 357.409 4.379 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(COc3ccccc3)n1)O2 587411703 FVBBZCONMYMHPS-SFHVURJKSA-N 366.442 4.319 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc4ccc(F)c(C)c4n1C)[C@@H](C2)C3=O 587428257 YJUUWPCSEBLYAA-LHSJRXKWSA-N 351.377 4.123 0 1 FIAF CCCOc1cc2c(cc1[C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)CCC2 587439896 DRRBJRBQPCFKTC-WZONZLPQSA-N 364.441 4.461 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)CC[C@@H]1C(=O)OCC 587482352 STBVQSXZAHVMSN-FQWGINHLSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)CC[C@H]1C(=O)OCC 587482358 STBVQSXZAHVMSN-PCMMCCAGSA-N 360.450 4.048 0 1 FIAF Cc1nn(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1Cl 587510263 YCUFXUKBNJMHND-HXUWFJFHSA-N 358.869 4.456 0 1 FIAF Cn1cc([C@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2(C)C)cn1 587518076 ZYIQGQRRBSSGIZ-GCJKJVERSA-N 350.462 4.217 0 1 FIAF O=C(O)C[C@@H]1CCc2occc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587536940 ZCOFJWRWUAJHJY-FPTDNZKUSA-N 366.413 4.056 0 1 FIAF C[C@]1(c2cc(O)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555883 HNXRHJBAEPMOIW-WIYYLYMNSA-N 366.344 4.114 0 1 FIAF CS[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587615186 WVZHLMNBNKTROJ-FUHIMQAGSA-N 356.443 4.398 0 1 FIAF Cc1ccc2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 587775680 TVYDBRJKRNQRNG-ZMZPIMSZSA-N 374.257 4.168 0 1 FIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(Cl)c(OC)cc3[nH]2)cc1 587783845 AYSXPFOHUIENOA-CHWSQXEVSA-N 356.809 4.168 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3ccccc3[nH]2)N1 587801217 DSGABCPIZHPXNA-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C2CCC2)N1 587815574 NUFKJNITYWMRRK-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF CCOC(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587950541 MPRZQYKXRBLGNZ-UHFFFAOYSA-N 354.450 4.225 0 1 FIAF COCC(C)(C)c1ccc(Cn2c(C(=O)O)cc3ncc(Cl)cc32)cc1 653914381 PZCBWBPVRSFDET-UHFFFAOYSA-N 372.852 4.360 0 1 FIAF Cc1sc2c(c1C)CCN[C@@H]2c1cccnc1NC(=O)OC(C)(C)C 963031110 STHNCQBWUOMTHM-OAHLLOKOSA-N 359.495 4.342 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1csc(-c2ccncc2)n1 963114677 WDUUAQMJNLYCGM-QFBILLFUSA-N 351.450 4.454 0 1 FIAF O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(Cl)nc1 1857615530 XJNOVBSZJKJMIL-UHFFFAOYSA-N 368.702 4.056 0 1 FIAF CC(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)c(F)c1 1857620738 VMTUVBOSXOBXQD-HXUWFJFHSA-N 351.425 4.144 0 1 FIAF CSC=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3[C@@H](O)[C@@H]2C1 2356376231 PCGQGFYOHXONPG-MPFBVMFSSA-N 350.480 4.018 0 1 FIAF Cc1ccc(OC2CN(C(=O)Nc3ncc(Cl)s3)C2)cc1Cl 2382257505 XMTDJUXZZJXFPZ-UHFFFAOYSA-N 358.250 4.053 0 1 FIAF Cn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1cc2ccccc2o1 2550630 ZYUYOWFXGOMWPJ-UHFFFAOYSA-N 365.414 4.219 0 1 FIAF CC1(C)O[C@@H]1CC[C@@]1(C)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12 13376495 NARMSCOFUYUPNJ-LLGFUMIMSA-N 370.401 4.033 0 1 FIAF biogenic O=[P@@H](O)[C@H]1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 27899280 DJMKEPHXGAUOGR-FQEVSTJZSA-N 355.418 4.440 0 1 FIAF CC(C)c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@H](C)CNC4=O)c1 28902012 LYTVARFHLKUMIM-CYBMUJFWSA-N 361.445 4.391 0 1 FIAF CN1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1Oc1ccccc1)C2 29569041 DWBUNZMQQLCLIM-ALOPSCKCSA-N 351.450 4.226 0 1 FIAF O=C(c1ccccc1)C1(c2ccccc2)CCN([C@@H]2CCCC[C@H]2O)CC1 49112724 KLTMHKXCCKSCIV-FGZHOGPDSA-N 363.501 4.207 0 1 FIAF CC(C)=CCC/C(C)=C/COCc1cn(-c2ccc(C(=O)O)cc2)nn1 66078529 VBPQZRLKYMETGK-LFIBNONCSA-N 355.438 4.175 0 1 FIAF FC(F)(F)c1ccc(Sc2ccc3c(c2)N2CCNC[C@H]2C3)cc1 71294806 YPCWKTBFKHGTDP-CQSZACIVSA-N 350.409 4.191 0 1 FIAF CC(=O)Nc1nc2ccc(-c3ccnc(CCc4ccccc4)n3)cc2s1 71318278 PAMUIBCERWXYGX-UHFFFAOYSA-N 374.469 4.497 0 1 FIAF Cc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(C(=O)NC2CC2)s1 84602845 XJOMLCQJVKASQX-UHFFFAOYSA-N 365.380 4.306 0 1 FIAF CN(C)CCNc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12 96933142 WZENQFPUIFQOKO-UHFFFAOYSA-N 365.868 4.176 0 1 FIAF Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 118539538 PESCSIDMHOYAPM-UHFFFAOYSA-N 368.658 4.032 0 1 FIAF Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)cc1 142669503 KOURMMJUNZQWKS-UHFFFAOYSA-N 365.433 4.071 0 1 FIAF Cc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 586984417 LZHREKJFDWBZOX-INIZCTEOSA-N 371.282 4.214 0 1 FIAF Cc1ccnc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586987414 APMBCPRWKHCXJM-UHFFFAOYSA-N 352.393 4.446 0 1 FIAF CCc1ccc(-c2nc(-c3nc4ccc(C(=O)OC)nc4[nH]3)cs2)cc1 587016203 RPTBNZHKUZCATP-UHFFFAOYSA-N 364.430 4.097 0 1 FIAF CC(=O)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082882 YGMMISIXYIOIHD-UHFFFAOYSA-N 366.808 4.319 0 1 FIAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccnc(Br)c3[nH]2)c1F 587152513 OVPGHZILIXAUNR-BDAKNGLRSA-N 350.166 4.270 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2cc3c(cc2[nH]1)OCO3)C1CCCC1 587225419 KPPUNHSYWMPRHM-INIZCTEOSA-N 359.426 4.048 0 1 FIAF Nc1cc(C(=O)O)cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587249157 IAFOORDQHDUXAB-UHFFFAOYSA-N 355.703 4.183 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cccc(Br)c31)O2 587371231 JQJAWSIFNCBYLW-SFHVURJKSA-N 358.235 4.147 0 1 FIAF COc1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587377595 NQCFCOGZOCXTDT-INIZCTEOSA-N 362.223 4.055 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)c1 587380102 ALRXEDORRHRADG-INIZCTEOSA-N 351.324 4.311 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(C)cc1F)O2 587381335 HESWKCLSWKCYKW-INIZCTEOSA-N 364.214 4.494 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(Br)cc1F)O2 587382074 NVLSPUGPGVTTLG-OAHLLOKOSA-N 368.177 4.324 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCC(=O)O)(c1ccccc1)O2 587407812 LGROKSADYGAKTF-OAQYLSRUSA-N 353.418 4.083 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1O)[C@@H](C2)C3=O 587448545 DWIFLBHQTQGNLD-FDDCHVKYSA-N 358.393 4.092 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(CN4CCCCC4)cs1)[C@@H](C2)C3=O 587450414 FXCCGITVBVNDOR-HRAATJIYSA-N 369.486 4.231 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCOC)CC2=O 587483688 RPMGYRBXMDWNHE-HXUWFJFHSA-N 356.418 4.076 0 1 FIAF COC(=O)c1ccc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587502513 FDJIJIOPJUHAMR-IBGZPJMESA-N 354.377 4.198 0 1 FIAF C[C@]1(COc2cccc(C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587525980 XCHRPXUZLWHAJV-JOCHJYFZSA-N 350.414 4.181 0 1 FIAF CC(C)c1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587587721 PONGBRPZLAAKRH-PXNSSMCTSA-N 362.385 4.009 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(Cl)cn1 587864388 FCVNHEOFUVSWDS-UHFFFAOYSA-N 368.746 4.400 0 1 FIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587934668 DQNZITMKPJBQDU-PWJLMRLQSA-N 352.768 4.340 0 1 FIAF Cc1ccccc1-c1cc(O)n(-c2cccc(Br)c2N)c1O 587936418 IUOHHJLHWSQTML-UHFFFAOYSA-N 359.223 4.209 0 1 FIAF CCOC(=O)c1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)nc1 962671235 TUHPTXIMAHZTCT-QFIPXVFZSA-N 358.441 4.160 0 1 FIAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CC=CC=Cc4ccccc4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356626887 NOUPIFUCBJJMRR-VPTMNIGTSA-N 374.480 4.332 0 1 FIAF C[C@@H](O)[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356639064 CPDJBCSZDAPYNC-IAWZEEEXSA-N 361.570 4.135 0 1 FIAF CSc1ccc(O[C@]2(C)CCN(Cc3ccc4c(c3)OCCO4)C2)cc1 61905088 JKXSUYVRWMYMPC-OAQYLSRUSA-N 371.502 4.223 0 3 FIAF CSc1nc(-c2ccc(C)cc2)nc2c1Cc1c(CO)cnc(C)c1O2 6858376 UKAJGCJLMFXJFV-UHFFFAOYSA-N 365.458 4.066 0 1 FIAF CCCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12 13474356 DGSMNZYHMRLASI-UHFFFAOYSA-N 351.446 4.491 0 1 FIAF CN(CCc1ccc2c(c1)OCO2)C[C@@H]1CC[C@@H]2CCOc3cccc1c32 13761412 NXQMDHCUAYGGFA-MSOLQXFVSA-N 365.473 4.333 0 1 FIAF Cc1cccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c12 13801498 MVPNSMFTWVNMPO-UHFFFAOYSA-N 356.473 4.118 0 1 FIAF O=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2 13834236 IPTPJVIPJMEHMN-UHFFFAOYSA-N 369.848 4.431 0 1 FIAF COc1ccc2c(c1)O[C@@H]1c3c(cc4c(c3OC)C=CC(C)(C)O4)OC[C@@H]21 14613205 NURXAZUGLCCIRI-BTYIYWSLSA-N 366.413 4.498 0 1 FIAF biogenic COc1cc(C)c(CC[C@](C)(O)/C=C/c2cc(O)ccc2O)c(C)c1C 14636911 JEYHRQCMOMICDC-DQACCSDVSA-N 356.462 4.429 0 1 FIAF O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1c[nH]c2cccc(O)c12 26738800 NTMNVUZDWKQBGJ-HXUWFJFHSA-N 361.426 4.095 0 1 FIAF C=C(c1cc(Cl)ccc1OCc1ccc(C(=O)OC)cc1)n1ccnc1 28765338 AJNJAWKZOJAEGG-UHFFFAOYSA-N 368.820 4.421 0 1 FIAF CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@]12C 29336324 AUAUCYBUJPIJEI-KAKWIIQDSA-N 374.521 4.059 0 1 FIAF CCc1ccc(-c2ccc3sc4c(=O)[nH]c(CN(C)C)nc4c3c2)cc1 45283698 JSOJYCSDBKJYSB-UHFFFAOYSA-N 363.486 4.429 0 1 FIAF O=C(O)C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 48999472 SCQHVECWBAHHHV-FQEVSTJZSA-N 372.852 4.380 0 1 FIAF OCCN(Cc1ccccc1)c1cc(Oc2ccc3ccccc3c2)ncn1 82067311 CFCBFIZLUJKWNW-UHFFFAOYSA-N 371.440 4.421 0 1 FIAF Fc1ccc(F)c(-c2noc(C[C@H]3CCN(Cc4ccsc4)C3)n2)c1 84671744 FXYBKIVLJHUMBC-GFCCVEGCSA-N 361.417 4.141 0 1 FIAF COc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc4ccccc4c3)C2)cc1 95583828 YYRLRYVLVLGRLU-HXUWFJFHSA-N 361.470 4.243 0 1 FIAF Cc1nn(C)c(C)c1-c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144888723 YJJSLNXEVHRLLG-IBGZPJMESA-N 358.363 4.483 0 1 FIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CCc4cc(Cl)ccc43)cccc21 145715278 PTGQJZXOHXTHSR-QGZVFWFLSA-N 367.836 4.001 0 1 FIAF CC(C)COc1ccc(CN2CCN(C(=O)Nc3ccccc3)CC2)cc1 150211649 MUUCVTXIPAVVFR-UHFFFAOYSA-N 367.493 4.071 0 1 FIAF CCOc1ccc(-c2nc3ccc(C4=NNC(=O)C[C@H]4CC)cc3o2)cc1 168619198 QIDKNGALXYOAKT-CYBMUJFWSA-N 363.417 4.144 0 1 FIAF NC(=O)[C@@H]1C[C@H](c2ccccc2)Cc2c(-c3ccc(Cl)cc3)n[nH]c21 299866168 OOSHFYSJCPAETC-RHSMWYFYSA-N 351.837 4.029 0 1 FIAF O=C(CCc1ccc(-c2ccc(O)cc2)cc1)Nc1sccc1C(=O)O 473097047 CSRAIWQUACQRNV-UHFFFAOYSA-N 367.426 4.390 0 1 FIAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1 586880370 PUHLHXDTFDGVLL-YVMONPNESA-N 361.170 4.229 0 1 FIAF COC(=O)c1ccc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2n1 586896506 NAALMHVGIMIHAA-UHFFFAOYSA-N 353.422 4.364 0 1 FIAF Cc1c(-c2nc3c(F)c(Br)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905120 GWDYECDOWAKSRI-JTQLQIEISA-N 365.202 4.403 0 1 FIAF CC(C)(SCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(=O)O 586958357 DOMSPCKFVMHSGA-UHFFFAOYSA-N 368.764 4.211 0 1 FIAF COc1cnc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1Cl 587064237 FZHBXYNQTNXVGF-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF COc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587076993 QIIHHKMVBZYLKT-UHFFFAOYSA-N 354.797 4.060 0 1 FIAF C[C@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171895 BWXGBKYOWHQSJP-MRXNPFEDSA-N 366.179 4.032 0 1 FIAF NC(=O)Nc1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587241976 KTUSZOQGWFYANZ-UHFFFAOYSA-N 358.401 4.300 0 1 FIAF C[C@@]1(Cc2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339966 RLBCCZFPYYRXTA-IRLDBZIGSA-N 363.388 4.287 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(Cl)cc1C)O2 587379173 SZPNSZVYSOBDEH-HXUWFJFHSA-N 372.852 4.292 0 1 FIAF CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587399968 OGOFVVZLLWJSPK-LBUQITIBSA-N 373.493 4.451 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCc4ccc(Br)cc41)[C@@H](C2)C3=O 587416457 BKYAIFQVWVPTGV-HNAYVOBHSA-N 371.230 4.047 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](O)c1ccccc1)[C@@H](C2)C3=O 587453306 YFJUUNDPXGQWSJ-WUMKDDEVSA-N 372.420 4.072 0 1 FIAF CCCc1c(O)ccc2c1OC(c1ccncc1)(c1ccncc1)CC2=O 587490150 OVFPBGOFHPDMAS-UHFFFAOYSA-N 360.413 4.044 0 1 FIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521686 DYCINNJROCMCAA-VELBRHGASA-N 356.462 4.269 0 1 FIAF O=C1C[C@H](c2cnc(-c3ccncn3)s2)Oc2c1ccc1c2CCCC1 587536672 ZBUMDPBXUAAADB-QGZVFWFLSA-N 363.442 4.185 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ocnc2c1 587585861 HUUSHHZCCUFLFB-GHTZIAJQSA-N 359.337 4.236 0 1 FIAF CCc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615035 VBCWNQLFEMNAHP-YJBOKZPZSA-N 353.399 4.114 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N(C)C)N1 587756925 SJEGYZZUJUHJMA-ZMZPIMSZSA-N 363.274 4.278 0 1 FIAF COc1ccc(/C=C/Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(OC)c1 587928941 IMVXZDWTEUTTTG-ONEGZZNKSA-N 366.314 4.392 0 1 FIAF CCc1ccc([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962702575 BIDOIHLMNXZFGA-PBHICJAKSA-N 353.409 4.220 0 1 FIAF Cc1sc2c(c1C)CCN[C@@]2(CC(=O)c1ccccc1O)c1ccco1 963011384 PQUMSFSVEXTQQU-NRFANRHFSA-N 367.470 4.326 0 1 FIAF Cc1cccc([C@]2(c3ccsc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963021517 GGSRXXZBFGTLQO-QMHKHESXSA-N 374.509 4.402 0 1 FIAF COc1cc(OC)c(-c2cn3ccc(N4CCCC4)cc3n2)cc1Cl 1857597231 UWFRCTFNCXVVIL-UHFFFAOYSA-N 357.841 4.272 0 1 FIAF CCC=CC[C@H](O)C=CC=CCC=CCC=CC=C[C@@H](O)CCC(=O)O 2356340193 JKPUWSZSJINVLB-LEWJYISDSA-N 360.494 4.491 0 1 FIAF CCCC(=O)c1c(O)ccc([C@@H]2C[C@@H](C)Oc3cccc(OC)c32)c1O 2356845049 OAWMMWGPMODBFV-OCCSQVGLSA-N 356.418 4.392 0 1 FIAF COc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c(OC)c1 6739300 YSVCDDYRYVYCHE-UHFFFAOYSA-N 372.428 4.376 0 3 FIAF O=C1C[C@@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21 3994229 RJXYBXCQVVCCAR-CYBMUJFWSA-N 368.408 4.185 0 1 FIAF COc1cc([C@H]2CC(=O)Oc3cc(C)c(Cl)cc32)cc(OC)c1OC 13813815 SJVGUWFQCHUCAI-GFCCVEGCSA-N 362.809 4.115 0 1 FIAF CC1(C)C=Cc2c(ccc3c2O[C@@H](c2ccc4c(c2)OCO4)CC3=O)O1 14618773 JRTNAZKQGYGUQE-GOSISDBHSA-N 350.370 4.306 0 1 FIAF biogenic C=C[C@](C)(O)CC[C@]1(C)C2=C([C@H](O)[C@@H](OC(C)=O)[C@@H]1C)C(C)(C)CCC2 15266504 XKQBKQUOQCQQBX-KFPWLUIXSA-N 364.526 4.159 0 1 FIAF biogenic COC(=O)c1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn12 28455918 VAXLOVGSLVLDPC-UHFFFAOYSA-N 366.808 4.375 0 1 FIAF Cn1cc([C@H](CN)c2cncc(/C=C\c3ccncc3)c2)c2ccccc21 37867093 SJDGHXXYFFXVPE-IZRJCCQOSA-N 354.457 4.229 0 1 FIAF Fc1ccc(OC[C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)cc1 45358016 SXVNDMHECZDJQS-RLFYNMQTSA-N 352.236 4.299 0 1 FIAF Cc1ccccc1N1CCN(Cc2ccc3oc(=O)cc(Cl)c3c2)CC1 45498051 WUVGYNZTZMPQAW-UHFFFAOYSA-N 368.864 4.077 0 1 FIAF O=C(O)c1cccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)c1 95553808 BVPQGHTZXKNBCD-UHFFFAOYSA-N 358.760 4.455 0 1 FIAF CCCCN1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CCCC[C@@H]3[C@H]2C1=O 105481326 GGXWBZNRHZUBAJ-YXUGBTPSSA-N 350.462 4.324 0 1 FIAF O=C(Nc1ccccc1Cl)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 115623163 WGQKFXUHJQJPEO-GOSISDBHSA-N 370.861 4.446 0 1 FIAF Cc1nn(-c2ccccc2)c2cc(-c3ccc(N4CCNCC4)cc3)ccc12 147351519 UBHBDCUUQGBTMB-UHFFFAOYSA-N 368.484 4.411 0 1 FIAF Cc1csc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1 166088690 RCAPXRDUKCOQCJ-UHFFFAOYSA-N 357.442 4.300 0 1 FIAF COc1cccc([C@H]2CCCN2Cn2c(=O)oc3ccc(Cl)cc32)c1 169341764 PENVCRYUUFSYPT-MRXNPFEDSA-N 358.825 4.051 0 1 FIAF COc1cc(Cl)ccc1-c1ccnc2[nH]c([C@H]3CNC(C)(C)CO3)cc12 226057686 MLUMKTIDEGEXHP-GOSISDBHSA-N 371.868 4.331 0 1 FIAF COc1ccc(-c2oc3cc(OCC=C(C)C)cc(O)c3c(=O)c2O)cc1 238784963 AUORCQISJDNDKJ-UHFFFAOYSA-N 368.385 4.225 0 1 FIAF CCOC(=O)[C@H]1[C@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@H]2CC[C@H]1N2C 253684984 HIFPRIPRHSYXGH-MHTWAQMVSA-N 366.505 4.130 0 1 FIAF CSc1cccc(N=c2[nH]c(CC(=O)Nc3ccccc3)cs2)c1 473090582 WMSDNVOGBCQNBJ-UHFFFAOYSA-N 355.488 4.212 0 1 FIAF CCCCc1cc(=O)oc2cc(OCc3nc4c(C)ccnc4[nH]3)ccc12 586918448 KYWNGWZWVMEDEZ-UHFFFAOYSA-N 363.417 4.294 0 1 FIAF COc1ccc2c(C)c(CCc3nc4ccc(F)cc4[nH]3)c(=O)oc2c1C 586918517 NHRNTQGXLLFQQQ-UHFFFAOYSA-N 366.392 4.219 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc12 586983167 WRLLOQIXPJRORW-UHFFFAOYSA-N 350.603 4.162 0 1 FIAF Brc1cccn2ncc(-c3nc4cnc5ccccc5c4[nH]3)c12 587006061 BCNYESYBEHWJJH-UHFFFAOYSA-N 364.206 4.188 0 1 FIAF COc1cnc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1Cl 587065362 YHEPZAHRXCJSNS-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF Fc1ccc(-c2cnn(Cc3nc4cccc(Br)c4[nH]3)c2)cc1 587165319 QCPMFPWLTLVPRF-UHFFFAOYSA-N 371.213 4.376 0 1 FIAF O=S(=O)(Nc1ccsc1-c1nc2ccccc2[nH]1)c1ccc(F)cc1 587170099 IKMAHCQONAITKO-UHFFFAOYSA-N 373.434 4.231 0 1 FIAF Cc1cnc2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 587190788 NZVLKKTVCMVNLA-INIZCTEOSA-N 352.438 4.223 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cnc1Cl)O2 587374038 WQSZKPOOWNQZCK-CYBMUJFWSA-N 367.630 4.095 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)nc1C(F)(F)F)O2 587384247 YYFJNFMMVNCANI-LBPRGKRZSA-N 356.731 4.351 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(Cl)o1)[C@@H](C2)C3=O 587411048 BERGPNLTIJATDD-RTHLEPHNSA-N 369.598 4.193 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)ccn1)CC2=O 587464747 XFWFXWYMKNFHMV-MRXNPFEDSA-N 351.324 4.465 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nc3sccn13)CC2=O 587498626 IRONWGQUKBWXDN-LJQANCHMSA-N 356.447 4.243 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)nc1 587551424 FFXRLASFPDPPQD-VQIMIIECSA-N 353.761 4.144 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1OCC2 587606874 FLEJHNLCAHUDJH-AVRDEDQJSA-N 360.365 4.030 0 1 FIAF CC[C@]1(c2ccc(F)cn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587729286 GQUDUELBXIDLQL-BMLIUANNSA-N 367.237 4.310 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(F)c2)N1 587733820 SPVITEXAZMPORY-PWJLMRLQSA-N 354.194 4.057 0 1 FIAF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587770965 LGIIXYKQHNDUFB-DYZYQPBXSA-N 365.246 4.006 0 1 FIAF CC(C)c1nccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587773810 JTVAALSJHOZRFZ-QFYYESIMSA-N 364.262 4.125 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c[nH]nc3c2)N1 587799045 VYZSUCBQMMGZOQ-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF CCc1csc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587851181 HMCYGIZPCVVUNW-XLKFXECMSA-N 355.276 4.231 0 1 FIAF COc1ccc(C[C@H](C)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1OC 587925821 HWEKLOKXHXFKKL-ZDUSSCGKSA-N 368.433 4.088 0 1 FIAF CC[C@H](C)CC(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@@H]1[C@]23C 2356385702 VLPYWBWQNXIXGS-SIBNBDEISA-N 360.450 4.123 0 1 FIAF CC(=O)O[C@H]1[C@H]2[C@H]3[C@@H]4O[C@@H]2CC(C)=CCC[C@@]4(C)OC[C@@H](C)[C@H]3C[C@H]1C 2356476637 MDSDQZGJBVBIFN-CWXMBJNMSA-N 362.510 4.129 0 1 FIAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=S)NC(=O)c2ccccc2Cl)C1 3259532 IDBVHKHAPKHXJD-KZULUSFZSA-N 350.915 4.255 0 1 FIAF COc1cc(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3)c(=O)c12 14819521 YYJKPTFNQQMOBK-UHFFFAOYSA-N 352.386 4.389 0 1 FIAF biogenic O=C(Nc1ccc(Cl)cc1)c1ccnn1CCc1noc2ccccc12 28822041 JNVJONNEWQUJDS-UHFFFAOYSA-N 366.808 4.173 0 1 FIAF COc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1-c1ccc(F)cc1 40954863 WRLPRSJDJPPCQU-UHFFFAOYSA-N 368.412 4.371 0 1 FIAF COc1cc2c(cc1OC)-c1[nH]nc(NCc3cccc(Cl)c3)c1C2 45287080 JSFVPPVEZQBHEM-UHFFFAOYSA-N 355.825 4.264 0 1 FIAF COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(Cl)cc4)CC3)c2c1 53243695 NPCJAOUAOGKSQN-UHFFFAOYSA-N 370.880 4.314 0 1 FIAF COc1ccc(/C(=C2/C(=O)Nc3ccccc32)c2nc3ccccc3[nH]2)cc1 84738780 QLAUNJOGYCGEFS-MRCUWXFGSA-N 367.408 4.483 0 1 FIAF C/N=c1/c2ccccc2nc2n1CC/C2=C\c1ccccc1Br 101030291 YTMALFIGGAIEON-CQQATIJTSA-N 366.262 4.274 0 1 FIAF O=C(Nc1cc(-c2ccc3cc[nH]c3c2)cc2[nH]ncc12)c1ccccn1 117085035 VHXRPEQBBZVPFA-UHFFFAOYSA-N 353.385 4.359 0 1 FIAF Cc1n[nH]c(C)c1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12 138228416 SMDWLTLENMWNAG-UHFFFAOYSA-N 352.348 4.054 0 1 FIAF O=C(Nc1ccccc1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 147767354 ANNTWVHUYMZWPM-UHFFFAOYSA-N 353.385 4.359 0 1 FIAF O=CN[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711168 SIWFRLSPUANOPO-IZAXUBKRSA-N 354.494 4.307 0 1 FIAF CC(=O)OC[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 253697491 BLJIZPWSKVXUMY-PVMGLPNRSA-N 366.288 4.423 0 1 FIAF COc1c(-c2ccc(O)cc2)ccc(-c2ccc(O)c(C(=O)O)c2)c1OC 299850581 BQUFUWHIQFPHMW-UHFFFAOYSA-N 366.369 4.147 0 1 FIAF O=S(=O)(O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587054246 NNCKDPZDSJKTHI-DAXSKMNVSA-N 369.229 4.287 0 1 FIAF CCCc1c(CC(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098428 RLHOWGKLSVUODI-UHFFFAOYSA-N 359.425 4.423 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587151765 ILXKKZFQLHLAQN-KBPBESRZSA-N 356.372 4.218 0 1 FIAF N[C@@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F 587158997 ZKVLCQJNVFEDIY-BZNIZROVSA-N 353.294 4.201 0 1 FIAF O=C(CCc1nc2cccc(C(F)(F)F)c2[nH]1)Nc1cccc(F)c1 587164145 ZMPGOBATKGCCDF-UHFFFAOYSA-N 351.303 4.292 0 1 FIAF Oc1cccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587166120 MULSBHRRESQPAD-UHFFFAOYSA-N 364.405 4.375 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 587168914 RXAPUDLYUIRMDD-UHFFFAOYSA-N 368.803 4.184 0 1 FIAF CC(C)(C)OC(=O)N1C[C@H]2c3nc4cccc5c4c(c3CC[C@H]2C1)CC5 587211717 IBSQIQZKGGQGFH-WMLDXEAASA-N 350.462 4.230 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cnc(Cl)cc1Cl)[C@@H](C2)C3=O 587423323 WVXGTWCVNLJDEJ-DYZYQPBXSA-N 350.201 4.060 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nn(C)c3ccccc13)CC2=O 587479119 YSIFHZXEBXHYKI-OAQYLSRUSA-N 350.418 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1nc(CC)n3ccccc13)CC2=O 587486886 MZSASPXEUMOXTD-SFHVURJKSA-N 350.418 4.261 0 1 FIAF Cc1c(C(=O)O)oc2c1[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587533381 QRFIEDUKDBFXJU-QFIPXVFZSA-N 366.413 4.362 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(F)c1O 587555192 FUTVCVCOJQAAFH-JXFKEZNVSA-N 370.307 4.079 0 1 FIAF Cc1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587570687 XFWZCIVHVJTXQR-DYESRHJHSA-N 366.344 4.248 0 1 FIAF CCc1cccnc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587939 OSCASWFPRUHIOH-PGRDOPGGSA-N 361.397 4.227 0 1 FIAF Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1C 587611415 IMBKLZIQHUUGCA-YJBOKZPZSA-N 353.399 4.168 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(F)c2)N1 587724394 HPTKTVZJKXGJOG-XLFHBGCDSA-N 368.221 4.231 0 1 FIAF COc1ccc(C=O)c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)c1OC 587786238 KIDDSFIAMULAAW-UHFFFAOYSA-N 368.286 4.218 0 1 FIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 587787349 UWNDMLZGSYNLGB-KBPBESRZSA-N 371.234 4.269 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COCc2ccccc2)N1 587800710 HOUWRNSHHQOWKT-KPZWWZAWSA-N 364.258 4.380 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(F)cc1 587867633 LQYDTEDPMZGQLJ-UHFFFAOYSA-N 351.303 4.160 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cl)c(C)n1 587867685 CFBSZWVEQXPEPY-UHFFFAOYSA-N 368.746 4.319 0 1 FIAF C[C@@]1(c2ccc(O)cc2F)c2cccc(F)c2CCN1[C@H]1CCSC1 962697777 HZWMQZLRQIARPD-RBZFPXEDSA-N 361.457 4.298 0 1 FIAF CCCN1[C@H](c2c(N)oc3ccc(F)cc3c2=O)c2ccccc2C[C@H]1C 963244344 WDAWNLLWLFXZQF-XCLFUZPHSA-N 366.436 4.260 0 1 FIAF O=C(O)CC[C@]1(c2ccc3c(c2)CCCC3)NCCc2cccc(Cl)c21 963392041 XKPNMFQTBVQPIU-JOCHJYFZSA-N 369.892 4.473 0 1 FIAF FC(F)(F)Cc1cc2c(NC3CCN(CC4CC4)CC3)ncnc2s1 1857570284 FUUKXIVVPBOGQX-UHFFFAOYSA-N 370.444 4.082 0 1 FIAF COC(=O)N[C@@H](C)/C=C/c1cnc(Oc2ccc(OC(C)C)cc2)s1 1857756502 UWNYRXKEKHUZMJ-KADSFNECSA-N 362.451 4.480 0 1 FIAF CC(=CC(=O)O)CC[C@@H]1[C@@H](C(C)(C)O)CC[C@@]1(C)CC=C(C)C(=O)O 2356452264 KPQXJVQFJZUGRC-RZQQEMMASA-N 352.471 4.022 0 1 FIAF COc1cccc([C@H](NC(C)=O)c2nc(-c3ccccc3C)cs2)c1 61928399 NFEMSMQIOSTDMV-IBGZPJMESA-N 352.459 4.353 0 3 FIAF CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 775721 NZHAXUQUVCJAEG-OAHLLOKOSA-N 366.461 4.293 0 1 FIAF C[C@@H](NC(=O)C1(Cl)CC(C)(Cl)C1)c1ccc(Br)cc1 103205775 SXOSGAFYZFFTEK-BZFQTPOWSA-N 365.098 4.395 0 1 FIAF CCN1[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](C)c1ccc(Br)cc1)C2 102140042 SARCZMQJOSUZFB-APHBMKBZSA-N 366.299 4.111 0 1 FIAF CCOC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 103186398 VORWSZVBUUNRKN-VFADXPBXSA-N 358.265 4.101 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c(C)c1 28820625 VPBRSFFMKTUJNN-INIZCTEOSA-N 356.491 4.003 0 1 FIAF CC(C)(C)c1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)O)c(C(C)(C)C)c1 28863957 AOYDJWQSPYRGAM-BSDSXHPESA-N 373.493 4.098 0 1 FIAF FC(F)(F)COc1ccc(/C=C/c2nnc3c4ccccc4cnn23)cc1 66114440 HHYWSNVSJDBENN-JXMROGBWSA-N 370.334 4.389 0 1 FIAF CC[C@H](O)[C@@H](C)C(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1 38788991 RPYWGERLOVLJMD-QAPCUYQASA-N 362.362 4.314 0 1 FIAF CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3cccc(F)c3)n2)C1 82068883 JRPFBMYBYZBGRP-QRWLVFNGSA-N 359.445 4.397 0 1 FIAF COc1cc(CNc2cc(-c3ccc(F)cc3F)ncn2)cc(OC)c1 82160384 NRGLNTFCGGRVAM-UHFFFAOYSA-N 357.360 4.051 0 1 FIAF CC(=O)c1cc(-c2cnn(C)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F 143506408 ZVLCEJHYINVBRS-LJQANCHMSA-N 372.346 4.068 0 1 FIAF COCCOc1cc(-c2c(C)noc2C)cc([C@@H](O)c2ccccc2)c1 95590543 ZYSXDENDCMWKPK-NRFANRHFSA-N 353.418 4.065 0 1 FIAF COC(=O)c1sc2ccccc2c1Nc1cc(OC)c(OC)c(OC)c1 95591836 UPIRNWQWLHMGBL-UHFFFAOYSA-N 373.430 4.457 0 1 FIAF CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(O)cc2)[nH]c2ccccc12 473081283 BUJBFIBDTAKZIW-UHFFFAOYSA-N 364.445 4.372 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(OC)cc1OC)[C@@H](C2)C3=O 587424352 ZOSMBSMEYXNTDP-RBZFPXEDSA-N 374.820 4.029 0 1 FIAF C[C@@]1(c2nc3ccc(Br)cc3[nH]2)C=C(c2ccccc2F)NO1 587158343 WPBURYCXEFIBJY-KRWDZBQOSA-N 374.213 4.256 0 1 FIAF CNc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587580632 TUOUSTVKLNIOMS-DENIHFKCSA-N 361.397 4.311 0 1 FIAF COc1cc(/C=C\c2nc3ccc(C(=O)O)cc3[nH]2)ccc1Br 586975404 BZTDFOQUOIPCBG-CLTKARDFSA-N 373.206 4.203 0 1 FIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587823624 VKHKSGNXNYTCIA-DYZYQPBXSA-N 350.231 4.226 0 1 FIAF Fc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cc1F 587029747 TUJQEZITORPYGP-UHFFFAOYSA-N 367.384 4.363 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1OCC2 587606878 FLEJHNLCAHUDJH-PGRDOPGGSA-N 360.365 4.030 0 1 FIAF O=C(c1ccccc1)c1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1 587176799 RVWPIQKTEZKTMH-UHFFFAOYSA-N 356.360 4.476 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)C[C@@H]1C(=O)OCC)CC2=O 587483177 VSFRDUKZALVQOB-NZCGUCNHSA-N 360.450 4.048 0 1 FIAF O=C(O)Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c(C(=O)O)cccc12 587638453 LPCVQAHEQTUYFU-UHFFFAOYSA-N 364.184 4.467 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1ccc(Cl)cc1)O2 587378439 OOYIACUYPPQNLX-HXUWFJFHSA-N 373.836 4.346 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(N)cccc2F)N1 587722925 UMWZULDGMDXCEI-VVVCHXIZSA-N 367.237 4.107 0 1 FIAF Nc1cccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1C(=O)O 587248440 PTWMKYSQDJXBLZ-UHFFFAOYSA-N 353.325 4.122 0 1 FIAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587807207 KDGOMSPXOLMVLP-QGHHPUGFSA-N 350.231 4.220 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1[nH]ccc1Br)CC2=O 587458257 QGAMMLBIZJDFIN-AWEZNQCLSA-N 350.212 4.142 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc4sccc4nc1Cl)[C@@H](C2)C3=O 587449954 CPZLMGHQEBAMMC-DYZYQPBXSA-N 357.818 4.447 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc([C@@](C)(O)C(C)C)[nH]c3c2)cc1 586887926 JUWSYULTFKANIM-FQEVSTJZSA-N 354.406 4.005 0 1 FIAF Cc1ccc(Cl)c2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587499046 KTCANKVKSUFVST-OAQYLSRUSA-N 367.832 4.340 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c([nH]2)CCCC3)N1 587802317 LCNRPRSVYMFFCU-XTZNXHDOSA-N 363.274 4.419 0 1 FIAF CCCC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804258 DEKBSRLGBZILRO-APPDUMDISA-N 372.278 4.071 0 1 FIAF CC(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587806878 BHYZWIZMBQYEGL-BMLIUANNSA-N 356.279 4.343 0 1 FIAF CC(=O)OCc1c(C)cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587399393 JRJQPZIYLIRDCJ-HXUWFJFHSA-N 367.445 4.272 0 1 FIAF COc1cc(F)ccc1-c1cccc(Cc2nc3nc(Cl)c[nH]c-3n2)c1 587158406 LTHZFUPUVGNQJO-UHFFFAOYSA-N 368.799 4.363 0 1 FIAF Cc1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2n1 587184791 WKVWGZRMXPAKNB-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF COc1ccc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c(OC)c1 1772636624 KECIHTVPGCBKRH-QGZVFWFLSA-N 369.442 4.434 0 1 FIAF COC(=O)c1ccc(C)cc1[C@H]1CN=N[C@]12Cc1cc(C)c(C)cc1C2=O 5539637 LPLOCPUBJLVZSY-DENIHFKCSA-N 362.429 4.126 0 1 FIAF CCCCCCN1C(=O)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O 13473146 QBAPGFFUYIQODT-UHFFFAOYSA-N 372.415 4.341 0 1 FIAF CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(C(C)C)cc1 775671 JDSSBMLCULKFIX-MRXNPFEDSA-N 358.482 4.263 0 1 FIAF O=C(CCC1CCCC1)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 5140118 XJZFWVYLKXAXMU-UHFFFAOYSA-N 353.466 4.032 0 1 FIAF CC(=O)OC[C@]1(O)C[C@]23CC[C@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@H]1C3 9223162 PTGGVIKFNQSFBY-SAWGIJKRSA-N 358.478 4.210 0 1 FIAF c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)CCCN2 13674838 IJQNDNMGXIXMSM-UHFFFAOYSA-N 374.532 4.281 0 1 FIAF CC(=O)O[C@H]1OC(=O)c2ccc([C@]3(C)CCCC(C)(C)C3)c(C(C)=O)c21 14584407 OMNZZWDXPDXHHJ-PZJWPPBQSA-N 358.434 4.479 0 1 FIAF biogenic O[C@@H]1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)N2CCC1CC2 28826455 MCPDYCAWWMQGBX-UWYGHVLSSA-N 362.448 4.256 0 1 FIAF Cn1cnc2cc(Br)c(-c3ccccc3Cl)c(CN)c21 29125246 YGNUEAITIVOBRQ-UHFFFAOYSA-N 350.647 4.115 0 1 FIAF CC(=O)N(CCO[C@@H]1CCCCO1)c1ccc(Oc2ccccc2)cc1 29487567 OTUVCFZJUZFVJI-OAQYLSRUSA-N 355.434 4.375 0 1 FIAF CC(C)c1ccccc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1=O 59281769 VFVLBFALRVFPHW-UHFFFAOYSA-N 374.843 4.092 0 1 FIAF O=C1Nc2ccc(-c3csc(-c4ccncc4)n3)cc2/C1=C/c1cnc[nH]1 214130635 IEXJUHXBUQMSRR-PXNMLYILSA-N 371.425 4.088 0 1 FIAF O=C1NCCc2[nH]c(-c3cccc4ccc(NCc5ccccc5)nc34)cc21 222356390 XUKBGDSNMIGPJV-UHFFFAOYSA-N 368.440 4.128 0 1 FIAF COC(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@H]34)[C@@]1(C)C2 253690308 MAQMGMISLYBNHO-DIKLVPBASA-N 372.505 4.385 0 1 FIAF CC(=O)c1ccc(-c2nn(C[C@H](C)c3ccccc3)c3ncnc(N)c23)cc1 473135298 HEZVWAPSTXWGIR-AWEZNQCLSA-N 371.444 4.082 0 1 FIAF CCOC(=O)c1cc(Br)c2[nH]c(C(C)(C)CSC)nc2c1 586969789 YIBSUDDWSHEETF-UHFFFAOYSA-N 371.300 4.143 0 1 FIAF Oc1ccc(-c2nc3ccc(I)cc3[nH]2)c(Cl)c1 587055124 SFESFUKRBPSROZ-UHFFFAOYSA-N 370.577 4.194 0 1 FIAF CC(=O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120821 WKHYUBGDRVQCNT-UHFFFAOYSA-N 362.233 4.193 0 1 FIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Cl)cc4[nH]3)cc2N1 587127304 WGVSVLDNFJQEST-JVXZTZIISA-N 355.751 4.387 0 1 FIAF Cc1ccc2c(ccc3[nH]c(-c4ccc(F)c(Br)n4)nc32)n1 587154964 HIOCIKHPJWWETL-UHFFFAOYSA-N 357.186 4.383 0 1 FIAF COc1cccc(-c2cc(F)cc(-c3nc4cccc(C(N)=O)c4[nH]3)c2)c1 587160152 JEGSBMGKEDGPRH-UHFFFAOYSA-N 361.376 4.144 0 1 FIAF Fc1cc2c(c(Cc3nc4ccc(OC(F)(F)F)cc4[nH]3)c1)OCOC2 587170520 BWCBMTOSODUUNB-UHFFFAOYSA-N 368.286 4.058 0 1 FIAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(N)c(N)cc3[nH]2)c1 587239299 VOGILGMAPCBLGZ-UHFFFAOYSA-N 358.449 4.337 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3ccnc3)c(Cl)c1)O2 587377750 YHHCHVFZBUMYTN-GOSISDBHSA-N 353.809 4.123 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)O2 587392508 AXMCCOWHLRGOJU-KBPBESRZSA-N 374.481 4.089 0 1 FIAF COc1cc2c3c(c1)O[C@@H](CCc1ccc(Br)cc1)[C@@H](C2)C3=O 587421046 ZXSAPZZTRHVERE-CVEARBPZSA-N 373.246 4.207 0 1 FIAF CCc1ccc(N2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587434528 ACEDVLNYISYDBQ-LJQANCHMSA-N 363.457 4.044 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)[nH]1)CC2=O 587458162 GWTQQGYTYMLEJO-CQSZACIVSA-N 350.212 4.142 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)cc1C)CC2=O 587478152 IBRCPTPETLWLHS-IBGZPJMESA-N 354.402 4.146 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2cc(O)ccc21 587486383 XKTBJIONIIZZNV-JOCHJYFZSA-N 368.429 4.472 0 1 FIAF C[C@@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573718 XBAVHDVUCLLPIM-UGKGYDQZSA-N 364.372 4.494 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c3ncccc23)N1 587759500 UGJSDFDMLAUJNR-BTDLBPIBSA-N 374.257 4.099 0 1 FIAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C(C)C 587763085 HWBDYWGNFGATHP-BTDLBPIBSA-N 366.278 4.298 0 1 FIAF CC(=O)[C@H]1C(=O)CC(C)(C)C[C@@]12NCCc1cc(-c3ccccc3)ccc12 962665509 ILGYDVPKTFPRRQ-UPVQGACJSA-N 361.485 4.289 0 1 FIAF COc1ccc2c(=O)cc(-c3ccc(N4CCC(F)CC4)cc3)[nH]c2c1 1772613481 XFPYIRNIRXIHGL-UHFFFAOYSA-N 352.409 4.142 0 1 FIAF CN(C)c1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1 1772618769 YEPCQOFLSSNGAH-UHFFFAOYSA-N 351.494 4.466 0 1 FIAF CCN(C)CCCOc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1 1857577213 IYNRGMMAGNFXLN-UHFFFAOYSA-N 367.445 4.189 0 1 FIAF COc1cc(O)cc2c1[C@H]1Oc3c(ccc4c3C=CC(C)(C)O4)[C@H]1CO2 2356649560 PSJNLMVDUBCKQD-VLIAUNLRSA-N 352.386 4.195 0 1 FIAF CC=CC=CC=CC=C[C@H](O)CC(=O)CC=C1CC=C(OC)[C@@H](OC)C1 2356766445 HBZCURMVRPLXBZ-UGKGYDQZSA-N 358.478 4.207 0 1 FIAF COc1ccc2c(Nc3cccc(Br)c3)ncnc2c1OC 13745566 VEKZVINYTYXCAI-UHFFFAOYSA-N 360.211 4.153 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(=O)c(Br)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13766675 BSHHMFIORHNGDL-GVYRHCHYSA-N 363.295 4.026 0 1 FIAF OCc1cccc2c1[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 27179681 JADWDHBWTZLECN-FYYLOGMGSA-N 370.428 4.077 0 1 FIAF CC(=O)N1c2ccccc2S[C@H]1c1ccc(OCCCN(C)C)cc1 28015942 GELOQKPOIIYWIR-FQEVSTJZSA-N 356.491 4.175 0 1 FIAF C[C@]12CC[C@@H]3[C@H](C[C@H](Br)C4=CC(=O)CC[C@]43C)[C@@H]1CCC2=O 33801224 HAWQRBIGKRAICT-BYOPGUCHSA-N 365.311 4.461 0 1 FIAF Cc1ccc(C)c(N2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1 64540545 YJHBORBWSSPLGN-UHFFFAOYSA-N 354.469 4.228 0 1 FIAF CC(C)(C)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21 64549318 RWJIYVMIMXSSGS-UHFFFAOYSA-N 351.332 4.224 0 1 FIAF C[C@H]1CCC[C@H]1NC(=O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95598020 QNEFGNKZMJLFIA-SWLSCSKDSA-N 361.873 4.002 0 1 FIAF C[C@@H]1C[C@@H]1C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1 96928701 MUZCRXQJZGZDQU-KOLCDFICSA-N 364.232 4.235 0 1 FIAF O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 143298772 BBMXHMMGPRLFBR-LOSJGSFVSA-N 372.512 4.279 0 1 FIAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccn3)c2F)cn1 212175225 WKLQHTVBSUJTTA-UHFFFAOYSA-N 350.397 4.106 0 1 FIAF CCOc1ccc([C@H]2CC(CCN(C)C)=NN2c2ccccc2)cc1OC 238754646 BENJBBKRAAJPNF-HXUWFJFHSA-N 367.493 4.353 0 1 FIAF C[C@@H](Sc1ncccn1)c1nc2ccc(F)c(Br)c2[nH]1 586961544 JYODDWRGGSMCOP-SSDOTTSWSA-N 353.220 4.108 0 1 FIAF C[C@H]1CCc2sc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cc2C1 587034650 WVJLSMCABBXARP-AWEZNQCLSA-N 367.518 4.248 0 1 FIAF COC(=O)[C@H]1C(C)=Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587096193 ASOSPXMZKHYVRR-KRWDZBQOSA-N 355.393 4.428 0 1 FIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2c(F)cnc(Br)c2[nH]1 587148860 DINSIBCXWZVXLE-LURJTMIESA-N 372.144 4.278 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(C)ccc1N)O2 587389752 LWULPRYMVCQARF-QHCPKHFHSA-N 358.441 4.377 0 1 FIAF COc1cc(OC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587526157 RVBXQBNIZIDGTB-FQEVSTJZSA-N 368.429 4.298 0 1 FIAF C[C@H](Oc1ccccc1O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526711 ZGGXGTDSVWDBBJ-RCDICMHDSA-N 352.430 4.462 0 1 FIAF C/C(=C\[C@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587536670 YZBMOZNMSIVAPL-ZISLFAKRSA-N 368.502 4.348 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cnc1Cl 587572462 VFSAXJRJWRZRLU-CRAIPNDOSA-N 371.751 4.283 0 1 FIAF Cc1cncc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587588116 RWZYVMWPRIVNTG-AZUAARDMSA-N 361.397 4.059 0 1 FIAF C[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604280 RYQSMMOXTGIFNW-ODMCQALKSA-N 358.393 4.442 0 1 FIAF Cc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614397 SHNLTXLVSIWPCF-LPHOPBHVSA-N 353.399 4.034 0 1 FIAF CCCC[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796477 KOTRWLCPFGJZAP-GTNSWQLSSA-N 372.278 4.071 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(OC)nn1 587860402 SZEGHLWYSJCGCL-UHFFFAOYSA-N 365.220 4.043 0 1 FIAF CCCCOc1cc2[nH]c(/C=C/C=C\C(=O)O)nc2cc1Br 587964811 CNMRXLLKYJOEAO-GUBXDBFYSA-N 365.227 4.158 0 1 FIAF O=C(NC(=O)c1ccccc1F)N[C@@H]1c2ccccc2[C@@H]2CCCC[C@@H]12 653794440 TVGZSLJCOFSACN-ZSZQSSIHSA-N 352.409 4.294 0 1 FIAF Cc1c(F)ccc2c1[C@H]([C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)NCC2 962089025 FNHVMWZNCHKXOX-AXHNFQJDSA-N 362.489 4.357 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cc(F)c(N)c(F)c2F)N1 962940603 DDVKOHKGNVDSKW-CFMSYZGJSA-N 359.395 4.355 0 1 FIAF COc1cc(OC)c2c(c1)O[C@@H](c1c(OC)cc(OC)cc1OC)C[C@@H]2C 1857571090 AIWOIWFRWKGFRX-KPZWWZAWSA-N 374.433 4.357 0 1 FIAF COc1c(C(=O)Cc2ccc3c(c2)OCO3)ccc2c1C=CC(C)(C)O2 1857754429 HAYPWECCXZYYDA-UHFFFAOYSA-N 352.386 4.034 0 1 FIAF Cc1c(Cc2ccc(C(F)(F)F)cc2Cl)c[nH]c1C(=O)NC1CC1 1911582304 WIVCUYZEPXCSLX-UHFFFAOYSA-N 356.775 4.478 0 1 FIAF Cc1oc2c(c1C)[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](CC[C@@](C)(O)[C@H]1C)C2=O 2356556658 JSUOPHWQXCMPKR-NHUWUROSSA-N 362.466 4.136 0 1 FIAF Nc1cc(F)c(-c2cc3c(cc2F)c2ocnc2c(=O)n3C2CC2)cc1F 2382240189 FIILLBVREHEDEC-UHFFFAOYSA-N 371.318 4.144 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4207466 CEILEWKBAJAXQO-NVXWUHKLSA-N 362.882 4.410 0 1 FIAF CC(=O)c1cccc(NC(=O)c2noc3c2CSc2ccccc2-3)c1 6817411 NTSCBKVQVFOCCR-UHFFFAOYSA-N 350.399 4.402 0 1 FIAF CCCN(C)C[C@H](C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 13446345 TXQGZCZQFMLNSO-QGZVFWFLSA-N 359.341 4.361 0 1 FIAF COc1ccc(OCCCN2CCc3c(c4ccccc4n3C)C2)cc1 13526506 RZKWGELIDXAZFB-UHFFFAOYSA-N 350.462 4.014 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@]2(O)c1ccccc1 13651850 XXOJFSJQSNHOCK-YYTJJFCCSA-N 364.485 4.107 0 1 FIAF CCCC(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@@H](O)CC)cc(=O)oc12 14586078 IQEXTUNPLYDHAD-AWEZNQCLSA-N 374.433 4.139 0 1 FIAF biogenic CCCCCC(=O)c1ccc(OCCCN2CCN(CC(C)C)CC2)cc1 22924788 NMTPIRAMYOPHIO-UHFFFAOYSA-N 374.569 4.492 0 1 FIAF COc1ccc(-c2ccncc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22938160 BQYNOCZVNLUEFZ-UPVQGACJSA-N 373.500 4.340 0 1 FIAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(C)cc3OC)c(C)nn12 28368326 HVSOFIKQEYQUAA-UHFFFAOYSA-N 367.497 4.352 0 1 FIAF Cc1cc(Cl)ccc1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-] 43010495 DBXFGKYUYKFAHQ-UHFFFAOYSA-N 374.774 4.040 0 1 FIAF Cn1ccc2ncnc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)c21 64416769 WVMBSZUGHXTYFF-UHFFFAOYSA-N 358.405 4.356 0 1 FIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccc(Cl)c1Cl 169369286 QJUURDMOAUOHOG-VYGCGSHNSA-N 352.261 4.033 0 1 FIAF c1ccc(OC[C@@H]2[C@H]3CN(Cc4nc5ccccc5n4C4CC4)C[C@H]32)cc1 253666536 LQDSOGXLKLRTLO-PMOLBWCYSA-N 359.473 4.128 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@H]1C3 299812923 PTGGVIKFNQSFBY-RWKVYSHYSA-N 358.478 4.210 0 1 FIAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cncnc2[nH]1 586983120 VYPJYTBDYWGIAP-ZDUSSCGKSA-N 359.271 4.488 0 1 FIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587043687 UEVHAWDXFFUWEM-NSHDSACASA-N 358.294 4.490 0 1 FIAF O=c1c(-c2nc3cccc(F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171888 UTVIJDXRRSUIRV-UHFFFAOYSA-N 355.319 4.297 0 1 FIAF COCC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350916 SPNNSWCJDHJXRJ-GNSUPJDDSA-N 370.420 4.466 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1nc(Cl)ccc1C(F)(F)F)[C@@H](C2)C3=O 587421358 PMSYQKIDSWLQPJ-XXFAHNHDSA-N 369.726 4.251 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(F)cc(F)c(Cl)c1F)[C@@H](C2)C3=O 587422087 BYOMDBGCCIRXRE-WNWIJWBNSA-N 354.711 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(OC)c(Cl)c1)[C@@H](C2)C3=O 587422617 QUPJLAIUHXCTHJ-VBKZILBWSA-N 358.821 4.328 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(F)cc1)CC2=O 587466354 KMIPIIBYDFSDKS-NRFANRHFSA-N 372.392 4.209 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCc1ccccn1 587585613 FGZQRTRHYBCRPN-AZUAARDMSA-N 361.397 4.140 0 1 FIAF C[C@]1(c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600643 BOYHFEPBCIDROK-SIKLNZKXSA-N 360.365 4.082 0 1 FIAF O=C(c1cc2c(s1)CCCCC2)n1ncc2ccc(Cl)cc2c1=O 587653029 BPSXOMNWMILBEE-UHFFFAOYSA-N 358.850 4.069 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2N)N1 587694951 IOLCMEALNPPXIN-PWJLMRLQSA-N 369.665 4.447 0 1 FIAF Cc1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587773896 RZBDBLUJUKJIQB-KPZWWZAWSA-N 363.274 4.284 0 1 FIAF Cc1c(Br)cnc2[nH]c(COC/C=C/c3ccccc3)nc12 587781593 XIXTYJSMVJOMFL-VMPITWQZSA-N 358.239 4.259 0 1 FIAF COc1ccc(C=O)cc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587787641 PNWVYSLXZGYVNC-UHFFFAOYSA-N 356.381 4.282 0 1 FIAF CC(C)[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587818647 RSFVNZOJKZYUPS-BVRBVLIYSA-N 368.290 4.343 0 1 FIAF Cc1ncc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587851830 CUEGRWSUOFUJMF-GLEZIHRCSA-N 355.276 4.151 0 1 FIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(Br)c3[nH]2)cc1 587938194 UKKHRYBUHUVTFT-HWPZZCPQSA-N 361.239 4.171 0 1 FIAF Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587945827 OPYZXKKMIAHJOE-UHFFFAOYSA-N 370.771 4.133 0 1 FIAF CC/C(=C/c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)c1ccc(C)cc1 587968036 RYEULKFIVDULHF-SQFISAMPSA-N 369.490 4.072 0 1 FIAF CSc1cnc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)cc2C)C(=O)N3)cn1 653778415 STMJMEXAIMZIJE-NVNXTCNLSA-N 362.458 4.303 0 1 FIAF COc1ccc2c(c1OC)[C@@H](c1cnc(C(F)(F)F)s1)N(C)[C@@H](C)C2 962571054 ONPXDLIAFWXVBP-LKFCYVNXSA-N 372.412 4.145 0 1 FIAF NCC(F)(F)[C@H]1CCC[C@]2(C1)c1ccsc1CCN2Cc1ccco1 962714390 VYKNXVIIYXZRHD-KSSFIOAISA-N 366.477 4.379 0 1 FIAF Cc1ccc([C@]2(C(=O)c3ccccc3)NCCc3c(C)ccnc32)cc1C 963078125 WWDMQSNKKMRCKO-DEOSSOPVSA-N 356.469 4.279 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OC(C)C)ccc3C2)cc1 1772612876 DOMNVXDWXMUHFS-KRWDZBQOSA-N 366.505 4.229 0 1 FIAF c1cncc(-c2nc(N[C@@H]3COc4ccccc4C3)c3ccccc3n2)c1 1772646998 NMYSKFXCEWTIDV-KRWDZBQOSA-N 354.413 4.107 0 1 FIAF Cc1cc(F)ccc1-c1cccc([C@@]2(c3ccccc3)NC(=N)N(C)C2=O)c1 1857553128 CRQJBAVQECTLLC-HSZRJFAPSA-N 373.431 4.041 0 1 FIAF O=C(Nc1cc(F)cc(F)c1)c1cc(O)nc2cc(C(F)(F)F)ccc12 1857629947 COHXXCJJKXHZBV-UHFFFAOYSA-N 368.261 4.490 0 1 FIAF Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(NCCO)c2c1 1857634511 GVLXAEVMZNYKHZ-UHFFFAOYSA-N 365.452 4.039 0 1 FIAF C[C@H]1CC[C@H]2CC3=C(C(=O)O)CC[C@]31[C@@]2(C)CNC(=N)NC1CCCCC1 2356360341 DKLWFBLWXKNSOB-YKTUVVHCSA-N 373.541 4.051 0 1 FIAF N=c1ncc(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c[nH]1 2382257819 YGHWAUQNFVSQEC-UHFFFAOYSA-N 359.216 4.115 0 1 FIAF CCN(CC)CC[C@@H](c1ccc(OC)cc1)c1c(O)cc(OC)cc1OC 13661526 NRMUJDFMXOHIAZ-IBGZPJMESA-N 373.493 4.282 0 3 FIAF COC(=O)Cc1nc(Nc2cccc(Cl)c2)c2c(C)c(C)sc2n1 2910806 LAFQDQPGCYBAQX-UHFFFAOYSA-N 361.854 4.421 0 1 FIAF CCn1c(C(=O)NCCCN2CCCC[C@@H]2C)cc2sc(Cl)cc21 5036510 AHCOFPCFYLYNMK-ZDUSSCGKSA-N 367.946 4.370 0 1 FIAF Clc1ccc(COC[C@H](c2ccccc2)N2CCNCC2)cc1Cl 22926741 CWHYCZQXHMPNPS-LJQANCHMSA-N 365.304 4.157 0 1 FIAF Nc1nc(NCc2ccc(F)cc2)ccc1NC(=O)Oc1ccccc1 26826642 AGOHDLFBTJHRKX-UHFFFAOYSA-N 352.369 4.026 0 1 FIAF CC1(C)CCOc2cc3c(=O)cc(-c4ccc(C(=O)O)cc4)oc3cc21 27988160 VBWVOWCVPWAEBO-UHFFFAOYSA-N 350.370 4.218 0 1 FIAF COc1ccc2c(c1)c(CCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 28122405 ZXFPVIQVVULPBC-UHFFFAOYSA-N 371.820 4.317 0 1 FIAF CCCN1C(=O)c2ccccc2[C@]1(OCCc1ccccn1)c1ccccc1 28131418 GIRNYRTVUZVFBU-XMMPIXPASA-N 372.468 4.408 0 1 FIAF Clc1ccc(CCO[C@H]2CCCC[C@@H]2N2CCOCC2)cc1Cl 38619833 XYNMOULGJNGXPD-ROUUACIJSA-N 358.309 4.196 0 1 FIAF CC[C@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 40374378 UMODTPQPINIWKV-AZIXLERZSA-N 353.506 4.066 0 1 FIAF COc1ccc(CC(=O)N(C)c2cccc(-c3ccc(CO)cc3)c2)cc1 66104100 RZAYEEVCCIHYMS-UHFFFAOYSA-N 361.441 4.060 0 1 FIAF CS(=O)(=O)c1ccc(-c2cncc(-c3cc4cc(O)ccc4[nH]3)c2)cc1 73139443 CCVLMTQZUQGOLJ-UHFFFAOYSA-N 364.426 4.006 0 1 FIAF CCC[C@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 101796504 ASRGIKPNODZIHT-QODFHFCMSA-N 367.533 4.456 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@]23CC[C@H]4c5ccoc5CC[C@@]4(C)[C@H]2CC[C@@H]1C3 102313666 PTGGVIKFNQSFBY-SYYPDUSJSA-N 358.478 4.210 0 1 FIAF O=c1nc(-c2ccccc2Cl)on1-c1ccc(OC(F)(F)F)cc1 103177684 VRHDZNYIJZUDFB-UHFFFAOYSA-N 356.687 4.045 0 1 FIAF Nc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F 140179510 LWVALOGTVBTPPT-UHFFFAOYSA-N 371.419 4.017 0 1 FIAF Cc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cnc1F 140214627 FPQTXDXLJWGVHZ-UHFFFAOYSA-N 371.419 4.138 0 1 FIAF CC(C)CNc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1O2 473090832 PRMYZEJXVSYKHB-QFIPXVFZSA-N 361.445 4.325 0 1 FIAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(Br)nc3[nH]2)s1 587014131 GWWITMKURWSHCP-MRVPVSSYSA-N 367.272 4.250 0 1 FIAF Fc1c(Br)cc2nc(-c3cnc(Cl)s3)[nH]c2c1F 587023699 UKPTZIRGNYMNBG-UHFFFAOYSA-N 350.575 4.381 0 1 FIAF CCOC(=O)[C@@H]1c2nc3cccc4c3c(c2C[C@@H]1C)-c1ccccc1C4=O 587107699 TYUPHDWODYPZSZ-SGTLLEGYSA-N 357.409 4.285 0 1 FIAF CC(C)(C)OC(=O)N1C[C@@H]2CCc3c(nc4cccc5c4c3CC5)[C@H]2C1 587211718 IBSQIQZKGGQGFH-YOEHRIQHSA-N 350.462 4.230 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)nc1Cl)O2 587373898 VSXATRVQMPLQET-GFCCVEGCSA-N 367.630 4.095 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H](C)CN(Cc2ccccc2)C[C@H]1C 587392814 DLYDXQKYVKNOGA-IAGOWNOFSA-N 364.489 4.069 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)ccc1Br)[C@@H](C2)C3=O 587412713 JXKRBZJMKPZHAV-LIRRHRJNSA-N 373.246 4.429 0 1 FIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1C(C)C 587582087 NUYSNOUCQRCPOV-NQIIRXRSSA-N 364.401 4.181 0 1 FIAF COc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599003 DDCYWIWULPNRKE-DENIHFKCSA-N 362.381 4.278 0 1 FIAF CC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602632 KMPXRKBWAIWWSO-UGKGYDQZSA-N 360.365 4.298 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2F)N1 587726729 ZHLZVKUISPMBHW-PWJLMRLQSA-N 356.185 4.490 0 1 FIAF CC(C)Cn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587756296 CYYWMSZVPKEONL-GTNSWQLSSA-N 366.278 4.064 0 1 FIAF CCCn1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587763860 MZZWDOLWRAWVOW-BMLIUANNSA-N 366.278 4.127 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(C2CC2)N1 587774671 NQRGXWGRFMDQPM-VOJFVSQTSA-N 361.258 4.171 0 1 FIAF Cc1cc(O)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587835746 XWNRUZCHRIDYRP-BTDLBPIBSA-N 350.231 4.226 0 1 FIAF Cc1nc(-n2nc3cc2Oc2ccc(F)cc2-3)nc(O)c1Cc1ccccc1 587875011 LQZMZRYADBJFOE-UHFFFAOYSA-N 374.375 4.179 0 1 FIAF CC[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2n1 653900943 QWFHISYETQDHDU-ZDUSSCGKSA-N 374.452 4.260 0 1 FIAF Cc1cc2c(cc1F)[C@@](c1cccnc1)(c1ccc(F)c(F)c1)NCC2 962375405 MYIAGQWYQOMDON-NRFANRHFSA-N 354.375 4.245 0 1 FIAF CCN(CC)CCOc1ccccc1[C@H]1NCCc2cc(C)c(F)cc21 962375424 NKDSJHBKCGMGCP-JOCHJYFZSA-N 356.485 4.090 0 1 FIAF CCOC(=O)[C@]12CCCC1=C[C@]1(C2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962956954 ZCWOSICRZNYGPM-UZFJHSOTSA-N 364.489 4.351 0 1 FIAF Cc1ccnc2c1CCN[C@]2(CCCCCC(=O)O)c1cc(F)ccc1F 963070702 PXJHKLDWMRYKPN-OAQYLSRUSA-N 374.431 4.093 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC)c1cc(C(=O)OC)n(C)c1 963233472 ULYLSNSNTRWOIZ-KSFYIVLOSA-N 354.494 4.122 0 1 FIAF Cc1nc2sc(C(=O)Nc3ccccc3Cl)c(N)c2cc1[C@@H](C)O 1772579095 XYMPOGVLGDVZQS-SECBINFHSA-N 361.854 4.146 0 1 FIAF CC(=O)c1cccc(NC(=O)[C@@]2(C)Cc3c(-c4ccccc4)ccnc3O2)c1 61907795 ZYYYITDRTUCYHY-HSZRJFAPSA-N 372.424 4.284 0 3 FIAF CC=Cc1ccc(O[C@H](C)C(=O)c2ccc(OC)c(OC)c2)c(OC)c1 2356337945 IQQVVIZXMFMANE-CQSZACIVSA-N 356.418 4.396 0 1 FIAF CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2cccc(CN)c2)n1 58534764 AIWBCPDAEZSRIW-UHFFFAOYSA-N 363.465 4.273 0 1 FIAF CCCc1c(C)nc(-c2ccccc2O)n(CCc2cccc(F)c2)c1=O 28523894 ABCPJAUEYWYDRS-UHFFFAOYSA-N 366.436 4.259 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC=C3C(=O)OC[C@@H]3[C@]21C 2356805772 ZWZMTHHYZPZYFQ-FJHDBJKYSA-N 360.494 4.280 0 1 FIAF Cc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 212128184 KYZVGWDVAPLYCU-UHFFFAOYSA-N 351.385 4.023 0 1 FIAF CC(=O)O[C@@H]1C[C@@]2(C)C(C)=CCC[C@@H]2[C@@]2(C[C@@H](c3ccoc3)O[C@H]2O)[C@@H]1C 238772763 IHBGLDMSFNUTEZ-OSXAPZENSA-N 374.477 4.380 0 1 FIAF Fc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F 96284607 QRFFCWZXJYGMRK-UHFFFAOYSA-N 373.366 4.209 0 1 FIAF OCc1c(CO)c(-c2ccc(F)cc2)n2c1CS[C@@H]2c1ccccc1 95593179 NBEUGFFTZBMHGC-HXUWFJFHSA-N 355.434 4.073 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](C)c1cccc(Br)c1)O2 587378932 WYJNLKZNBAKYSN-DIFFPNOSSA-N 360.251 4.477 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3ccccc3[nH]2)N1 587801218 DSGABCPIZHPXNA-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF COC(=O)c1cccc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c12 587933672 VFDMAIQSKQNYTF-UHFFFAOYSA-N 350.418 4.218 0 1 FIAF CS(=O)(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587074206 SOHUPDOZWKNMHP-UHFFFAOYSA-N 360.866 4.090 0 1 FIAF COc1cc2c3c(c1)OC1(C[C@@H]4CC[C@H](C1)N4c1ccccc1)[C@@H](C2)C3=O 587436404 PYKQHMUSISIFON-UGNBCSPSSA-N 361.441 4.013 0 1 FIAF C[C@@]1(c2nc3ccccc3[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587073 FKRSAVCHMADXSO-PGRDOPGGSA-N 372.380 4.146 0 1 FIAF Cc1nc(Br)sc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 587012529 YTCUPBHVMSHQQD-UHFFFAOYSA-N 351.273 4.450 0 1 FIAF O=C(O)c1cc2nc(CCCCCCCCCCCO)[nH]c2cc1F 586894691 QXSBQXDFEMQENQ-UHFFFAOYSA-N 350.434 4.446 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1csc4ccc(Cl)nc14)[C@@H](C2)C3=O 587449667 CILKCHZPZSCNMF-XTZNXHDOSA-N 357.818 4.447 0 1 FIAF COC(=O)C[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587096358 DGLMDGVSMQVIBR-AWEZNQCLSA-N 371.436 4.423 0 1 FIAF Cc1cccc2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn12 587774673 NTFPVLHJHCCPHJ-MGNBDDOMSA-N 374.257 4.168 0 1 FIAF COc1c(F)ccc(F)c1-c1nc2cc(F)cc(Br)c2[nH]1 587133359 URTSDQPXRQPNFJ-UHFFFAOYSA-N 357.129 4.418 0 1 FIAF CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3ccc([C@@H](C)CC)cc23)CC1 587644004 YTDPQVKGTBYDRY-AWEZNQCLSA-N 370.493 4.405 0 1 FIAF Cc1ccnc2c1CCN[C@@H]2[C@@H]1CCCCC=C[C@H]1NC(=O)OC(C)(C)C 963078498 XSRVJQDJKUKWCX-QWFCFKBJSA-N 371.525 4.217 0 1 FIAF Cc1cccc([C@]2(c3ccsc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963021520 GGSRXXZBFGTLQO-WAIKUNEKSA-N 374.509 4.402 0 1 FIAF CCC[C@H](C)[C@]1(CC)NCC2(CCOCC2)c2cc(OC)c(OC)cc21 963196352 WUGMNQJVIUEQJX-AOMKIAJQSA-N 361.526 4.397 0 1 FIAF CCOC(=O)CC[C@]1(c2ccc(F)cc2)NCCc2cc(C)c(F)cc21 962147682 QAQZFBGAEXYYRY-OAQYLSRUSA-N 359.416 4.006 0 1 FIAF COc1ccc(N)c([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)c1OC 962667781 MWQYGWTXJFYAII-DEOSSOPVSA-N 374.484 4.362 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1cccc(Cl)c1Cl 635056 YZWBJFIMAYFEDV-IZCBMXNHSA-N 370.232 4.415 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(cccc3C(F)F)C2)cc1 1772572906 BKSHVERWIRKOMT-AWEZNQCLSA-N 358.432 4.380 0 1 FIAF O=c1c2ccccc2c(-c2ccccc2)nn1CCCCCn1ccnc1 13600460 UNQBSJYMGMIVOA-UHFFFAOYSA-N 358.445 4.131 0 1 FIAF CCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCN3C)cc1 13652276 UGHNUUSNQRGYRQ-UHFFFAOYSA-N 367.445 4.200 0 1 FIAF Cc1cccc(N2CCN(Cc3nnc(-c4ccccc4C)o3)C[C@H]2C)c1 13795463 VBFHPVRCOYWBCF-GOSISDBHSA-N 362.477 4.064 0 1 FIAF CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccs1 169359738 LZUOWUYBFWNJBN-WYXSWZBYSA-N 360.523 4.139 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H]2C=C(CCCCC(=O)O)C[C@@H]21 169692552 JANVYOZZTKSZGN-KODARWJCSA-N 350.499 4.072 0 1 FIAF Cc1cc(C)n(Cc2cc(O)n(-c3ccc(Cl)c(Cl)c3)c2O)n1 169689350 QTJIXKOREPCYGF-UHFFFAOYSA-N 352.221 4.057 0 1 FIAF C[C@@H](c1ccccc1)N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc21 204830627 LNCUDNJUDSTTIM-AWEZNQCLSA-N 359.433 4.001 0 1 FIAF CC(C)[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O 6918725 XNZUVVBZJHZUBO-KRWDZBQOSA-N 367.449 4.374 0 1 FIAF CCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccc(F)cc1C 26660157 DQJBTZYAGJIOEB-UHFFFAOYSA-N 368.408 4.390 0 1 FIAF Oc1ccc(-c2nc(-c3nnc(S)o3)cc3c2[nH]c2ccccc23)cc1 40846823 CGOGDIUNZKFWGI-UHFFFAOYSA-N 360.398 4.427 0 1 FIAF NC(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45392203 MMXHKUDCNODMMN-UHFFFAOYSA-N 366.417 4.133 0 1 FIAF COc1cc2c(cc1OC)[C@H](O)[C@@H](CC1CCN(c3ccccc3)CC1)C2 49045508 SSBYUQPQURUNFB-FDDCHVKYSA-N 367.489 4.216 0 1 FIAF COc1cc(/C=C/c2ccc3ccc(C(=O)O)c(O)c3n2)cc(Cl)c1O 49088423 CWEQIPBHOVPUFI-GORDUTHDSA-N 371.776 4.177 0 1 FIAF COc1ccc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1 53312937 UMWRUNBYCIEVMP-UHFFFAOYSA-N 358.415 4.167 0 1 FIAF O=C(O)CC1CN([C@@H]2CC[C@@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64436494 SECVFAJWTWEYDD-ZJSXRUAMSA-N 361.485 4.030 0 1 FIAF CC(C)(NC[C@H](O)Cn1c2c(c3ccccc31)CCCC2)c1ccccc1 73196116 VTJOYWRIYLVMOK-IBGZPJMESA-N 362.517 4.406 0 1 FIAF COc1c2c(cc3c1[C@H](OC)[C@H](O)[C@H](c1ccccc1)O3)OC(C)(C)C=C2 86005087 GCEYXEPIXWDBIE-DYXWJJEUSA-N 368.429 4.062 0 1 FIAF biogenic Cc1c(CO)cccc1NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 95584687 BWALKDVQDDXKJZ-UHFFFAOYSA-N 371.433 4.094 0 1 FIAF C1=N\c2ncccc2OCCCOc2cccnc2/N=C\c2ccccc2/1 169298971 KSJWLQWVLMJYOD-MQDDAKQZSA-N 358.401 4.139 0 1 FIAF COC(=O)/C1=C\CC[C@]2(C)O[C@H]2CC/C(C)=C\[C@]2(C)OC(=O)C(C)=C2CC1 169339241 FHHKQTZHOLIJSW-RNUUELBQSA-N 374.477 4.176 0 1 FIAF COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1 200417255 ZMDBQSBHZXOCQT-NZQKXSOJSA-N 374.440 4.066 0 1 FIAF COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]32)cc1 504699675 HSKOMYSWFSXSNI-SQXWHWBNSA-N 367.489 4.019 0 1 FIAF biogenic O=C1O/C(=C/c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc21 586905888 FXXNACRZQAUPBV-VGOFMYFVSA-N 359.154 4.133 0 1 FIAF CC(C)CCOc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br 586911205 FPTHGIHFCBXVBL-NSHDSACASA-N 353.260 4.254 0 1 FIAF Cc1ccc(CSCCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 586970351 DMPUGKMSBCXXGK-UHFFFAOYSA-N 353.491 4.049 0 1 FIAF N=c1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c[nH]1 587015245 IGGKEAPMGVMIIZ-UHFFFAOYSA-N 362.245 4.468 0 1 FIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(Br)cc2[nH]1 587070004 OHFHKNYACBUQRA-LLVKDONJSA-N 364.674 4.264 0 1 FIAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587085349 POYAFLXGOHKDHZ-QGZVFWFLSA-N 364.796 4.064 0 1 FIAF CCOC(=O)[C@H]1[C@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)C[C@H]21 587097604 MQZINFRTSNLQNV-MOXGXCLJSA-N 369.420 4.203 0 1 FIAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 587239700 NRDXYQMLZQRSLE-UHFFFAOYSA-N 373.254 4.408 0 1 FIAF N[C@@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1cccc2ccccc12 587259579 WGXMWZNCDDLJRN-SFHVURJKSA-N 371.419 4.283 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCC23CCOCC3)[C@H]1c1ccc(F)cc1 587355697 FWYWPSNUBALZAP-SIKLNZKXSA-N 368.404 4.220 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OC(F)(F)F)c1F)O2 587381207 CVOBDFRRAIHJAO-CQSZACIVSA-N 355.287 4.321 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CN3CCCCC3)s1)O2 587411812 WENCRRIRIHYTPF-SFHVURJKSA-N 356.491 4.331 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCOc4c(Cl)cccc41)[C@@H](C2)C3=O 587422924 RGFOHDMLGGTZBS-VBKZILBWSA-N 356.805 4.164 0 1 FIAF COc1cc2c3c(c1)O[C@@](Cc1ccccn1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587437017 XCYVEUBAGCNNCZ-RDPSFJRHSA-N 371.436 4.284 0 1 FIAF CN(C)c1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535044 HRDNOSPZQWAEAG-CQSZACIVSA-N 362.882 4.448 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1O 587550808 YUDLQMPQKZQMFX-YLJYHZDGSA-N 368.772 4.454 0 1 FIAF CC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601423 FXLMSDRBGBXCGS-NZQKXSOJSA-N 374.392 4.472 0 1 FIAF C[C@]1(Cc2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617564 KIDWWARZJXIONG-FXAWDEMLSA-N 352.411 4.417 0 1 FIAF NC(=O)C1CCN(c2c(-c3ccc(Cl)cc3)[nH]c3cc(F)ccc23)CC1 587632860 KUNRYIGFRUBLGZ-UHFFFAOYSA-N 371.843 4.329 0 1 FIAF CCCCn1ccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587758456 XOXZIDSBBFIDOH-BDJLRTHQSA-N 366.278 4.208 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nc[nH]c3c2)N1 587800114 ABVZDVCWVMQQBN-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF COC(=O)CCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587809540 RWTGFNUCKVAQIC-RISCZKNCSA-N 372.278 4.287 0 1 FIAF CC(C)(C)Oc1ccc(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 587945987 HYTSFRGDTIUWAW-UHFFFAOYSA-N 360.473 4.422 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@]3(C)[C@H](C)Oc1cccc(F)c1 963057015 OFHTXKXLILMKLG-RCDICMHDSA-N 366.436 4.211 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(-n2cncn2)c(F)c1 963256154 AQZCOFMVFHZCQT-QVKFZJNVSA-N 350.441 4.152 0 1 FIAF O=C(c1ccc(N(CC2CC2)c2ccc(Cl)cc2)cn1)[C@H]1C[C@H]1C(=O)O 1772615238 GUXNFOKWAUPOIK-DLBZAZTESA-N 370.836 4.187 0 1 FIAF c1ccc2c(CCNc3nccc(-c4c[nH]c5ncccc45)n3)c[nH]c2c1 1772635666 NCXCJSWWOBAQCH-UHFFFAOYSA-N 354.417 4.156 0 1 FIAF CCCCc1ccc(CCNC(=O)C=Cc2ccc(O)c(OC)c2)cc1 2356466711 QHMUIOCUPBCVFT-UHFFFAOYSA-N 353.462 4.116 0 1 FIAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)C=C[C@H](O)[C@H]2C 2356541263 HZKKUYMQQTYDGZ-CJNGLKHVSA-N 356.418 4.250 0 1 FIAF CCCCN(C(=O)CCC)[C@H](C(=O)NC1CCCCC1)c1cccnc1 2356845374 OEDWUIFOCCLGAF-FQEVSTJZSA-N 359.514 4.000 0 1 FIAF COc1ccc(OC)c(-c2ccc(-n3cc(-c4ccncc4)nn3)cc2)c1 2382224312 UFIDDMYHGKMIDC-UHFFFAOYSA-N 358.401 4.014 0 1 FIAF CC[C@]1(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CCCNC1 2382241886 ICAYWDBIWWQYCA-IBGZPJMESA-N 355.873 4.222 0 1 FIAF O=C1CCC=CC[C@@H](c2ccc(-c3cccnc3)cc2)C(=O)OCCCO1 2382255059 WSQISVVBRFZHDP-FQEVSTJZSA-N 365.429 4.049 0 1 FIAF CSCCCNC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 201441868 UGBMSPGHMQWEST-UHFFFAOYSA-N 367.470 4.251 0 3 FIAF COc1ccc(CCCc2nc(N)nc(N)c2-c2cccc(Cl)c2)cc1 13472731 NGXOWQSZWYMAKV-UHFFFAOYSA-N 368.868 4.145 0 1 FIAF O=C(Cc1cn(Cc2ccccc2)c2ccc(F)cc12)Nc1ccncc1 13556614 QNYFNVUFLDDEJH-UHFFFAOYSA-N 359.404 4.405 0 1 FIAF CC(=O)N[C@H](COCc1cc(C)cc(C)c1)Cc1c[nH]c2ccccc12 28087485 VBAXZQRCTGIDGP-FQEVSTJZSA-N 350.462 4.049 0 1 FIAF O=c1cc(N2CCOCC2)oc2cc(-c3ccc4ccccc4c3)ccc12 28564132 VHCYEUVCMKUCDL-UHFFFAOYSA-N 357.409 4.450 0 1 FIAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(c3ccccn3)C[C@H]2C1 29127838 QFURDKZFPGIQLC-GGAORHGYSA-N 359.517 4.260 0 1 FIAF CCC[C@H](CC1(C(=O)Nc2nnc(CC(C)C)s2)CCCC1)C(=O)O 34803377 DPOCSFZJMLFPJZ-CYBMUJFWSA-N 367.515 4.127 0 1 FIAF COc1ccc(C(C)=O)c(Oc2ccnc3cc(OC)c(OC)cc23)c1 40428659 TXDHDIDVTBKMQX-UHFFFAOYSA-N 353.374 4.256 0 1 FIAF CCCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccc(F)cc2)n1 82140388 TUXQSJVJQDQLGJ-UHFFFAOYSA-N 356.445 4.121 0 1 FIAF COc1ccccc1[C@@H](c1ccncc1)c1cc2c3c(c1)CCN3C(=O)CC2 95595710 URABBVHZBALPIN-QHCPKHFHSA-N 370.452 4.106 0 1 FIAF CC(C)(C)c1ccc(O)c([C@]2(c3cccnc3)C(=O)Nc3ccccc32)c1 96937507 UCLNLCZRVXWALN-HSZRJFAPSA-N 358.441 4.371 0 1 FIAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cccnc2)C2=C(O)CCCC2=N1 104702229 GYJGLIKGYFYOJT-HXUWFJFHSA-N 374.444 4.232 0 1 FIAF CC(C)(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F 204413701 AAMAICPUISICJY-KRWDZBQOSA-N 370.390 4.403 0 1 FIAF O=C(OC[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1)c1ccccc1 253739993 SPPHJQRBMCMDGZ-ZBSZIUACSA-N 365.498 4.471 0 1 FIAF [C-]#[N+]c1cccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)c1 261179241 VQGSXSJQFXWSAB-XJKSGUPXSA-N 351.410 4.182 0 1 FIAF O=C(O)c1ccccc1/C=C\c1nc2ccc(F)c(Br)c2[nH]1 586878540 FYMQDNWDQXZPIE-YVMONPNESA-N 361.170 4.333 0 1 FIAF FC(F)(F)Oc1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587034112 DFIMDCNDRSZQOC-CYBMUJFWSA-N 354.353 4.380 0 1 FIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cccc(Cl)c3[nH]2)c[nH]1 587061664 XFFPADRHQMXTLE-UHFFFAOYSA-N 356.216 4.406 0 1 FIAF Oc1nc2cc3nc([C@@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3cc2[nH]1 587076535 NDQVZJMUJQLDPY-KRWDZBQOSA-N 367.840 4.135 0 1 FIAF COc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1F 587085418 RNDKYZVSPGYNFC-UHFFFAOYSA-N 354.772 4.488 0 1 FIAF Oc1nncc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587158709 KQJLAMVCJPAHJI-INIZCTEOSA-N 370.771 4.019 0 1 FIAF COc1cc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1F 587166806 ACHRPGWNYYHOBA-INIZCTEOSA-N 372.375 4.219 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 587232712 AQKSGKHTXKZBAZ-IUCAKERBSA-N 371.268 4.426 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(Cc3ccccc3)c1C)O2 587391087 PGRJHKJZVQMTLO-HXUWFJFHSA-N 361.445 4.145 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccccn4)o1)[C@@H](C2)C3=O 587454328 YEMQSUFAJGTNLZ-RBZFPXEDSA-N 365.410 4.323 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)CCC(=O)N3)CC2=O 587478663 BETKCIUEVADYIX-JOCHJYFZSA-N 365.429 4.110 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1C(=O)OCC)CC2=O 587483488 QQLUHSIXQUHPKX-QFIPXVFZSA-N 368.429 4.402 0 1 FIAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN(C)C 587506184 ODLLZWDFXZQSAJ-JOCHJYFZSA-N 365.473 4.342 0 1 FIAF Cc1cccn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 587585773 GCTGCUQTDSDRIQ-GHTZIAJQSA-N 372.380 4.051 0 1 FIAF C[C@@]1(c2cccc3c[nH]nc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594057 KCARWGOQTQQFOV-GCJKJVERSA-N 372.380 4.146 0 1 FIAF COC1(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCC1 587598468 BAZOYFVVUAIPPU-PXNSSMCTSA-N 354.402 4.072 0 1 FIAF COc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615598 YTZNOHSSDVMUFH-QAPCUYQASA-N 354.383 4.165 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(N)cccc2F)N1 587722940 UQJAOVNFXXAGGC-HUTHGQBESA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncn(C)c3c2)N1 587759496 UGEGGXZIYGXGBV-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncoc3c2)N1 587778487 LIPRYTNDAOGWSR-HUTHGQBESA-N 361.214 4.353 0 1 FIAF CCOCCOCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587779310 ZEVZEQJLLCYOCD-UHFFFAOYSA-N 356.266 4.154 0 1 FIAF N[C@@H](N=O)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587781790 CXQIFYOUNPWKBA-FQEVSTJZSA-N 374.400 4.238 0 1 FIAF O=C(Nc1ccc(OS(=O)(=O)c2ccccc2)cc1)C1CCCCCC1 1857540144 YQYQMKXKMWTNMR-UHFFFAOYSA-N 373.474 4.363 0 1 FIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2[C@H](OC)c3occ(C)c3[C@H](O)[C@]2(C)[C@H]1C 2356544053 ASJPEAYAKQIGTC-ORPXGNRPSA-N 362.466 4.253 0 1 FIAF CCN(C)CCc1cc(OC)c(OC)cc1C=Cc1ccc(OC)cc1 2356735226 FZXDJODZRCGYAS-UHFFFAOYSA-N 355.478 4.377 0 1 FIAF C[C@@]1(c2nnc(Cc3ccccc3)o2)CC(c2cccc(Cl)c2)=NO1 13682728 VAZOYAQVXKACMT-IBGZPJMESA-N 353.809 4.354 0 3 FIAF COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1C=CC(C)(C)O 2356405753 CYPXFTCVCNFZNY-UHFFFAOYSA-N 366.413 4.261 0 1 FIAF O=c1c2ccccc2n2c(-c3ccc(Cl)cc3)nnc2n1-c1ccccc1 103223772 WRXIYBPNMRJWAM-UHFFFAOYSA-N 372.815 4.354 0 1 FIAF CCc1nn2c(O)cc(Cc3c(C)[nH]c4c(F)cccc34)nc2c1CC 103525067 JELPPNSRHPFYIR-UHFFFAOYSA-N 352.413 4.079 0 1 FIAF COc1ccc(C[C@H]2NCCc3c2[nH]c2c(C)c(C)ccc32)cc1OC 26668147 HRQBRNSKRJHFLA-GOSISDBHSA-N 350.462 4.231 0 1 FIAF COC(=O)[C@@]1(c2ccccc2)C[C@@H]1CN1CCC(Cc2ccccc2)CC1 28634765 XYCUTALELYDXDC-ISKFKSNPSA-N 363.501 4.072 0 1 FIAF C=C(NNc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(O)cc1 64693658 VCQHZOOAWCNLPJ-UHFFFAOYSA-N 374.611 4.033 0 1 FIAF Cc1nonc1CN[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 45245745 MALQOZUEYJBQGA-SFHVURJKSA-N 365.481 4.028 0 1 FIAF CCCCCNc1ncnc2c1nc(-c1cccs1)n2C[C@H]1CCCO1 82186617 KDJXPACJNGFNKV-CQSZACIVSA-N 371.510 4.336 0 1 FIAF CNC(=O)c1cccc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)c1 197972000 WDFVNIIMPQWCTP-VMPITWQZSA-N 354.413 4.155 0 1 FIAF O=C(O)c1cc2ccc(-n3c(S)nnc3-c3ccc(F)cc3)cc2s1 96273169 IHIKRVUFDNSBCR-UHFFFAOYSA-N 371.418 4.275 0 1 FIAF C/C=C1/c2ccc(C=O)n2[C@@H]2C[C@H]1[C@@H](C(=O)OC)c1c2[nH]c2ccccc12 238768744 LMQWGENTCNSYQP-WZGSCNPASA-N 360.413 4.065 0 1 FIAF Cc1cc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1Br 586975888 GSCPKUNUXGUDRQ-UHFFFAOYSA-N 370.250 4.109 0 1 FIAF C[C@@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612053 TWNJCYLBIWTGRE-REWPJTCUSA-N 374.392 4.204 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)(c1cccs1)[C@@H](C2)C3=O 587452756 UNAARIUZBCWCDD-KKSFZXQISA-N 363.438 4.030 0 1 FIAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1N 587581578 WIGZTQOLHWETGP-UGKGYDQZSA-N 361.397 4.160 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)CCC(=O)N3)CC2=O 587478667 BETKCIUEVADYIX-QFIPXVFZSA-N 365.429 4.110 0 1 FIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cncc(Cl)c3[nH]2)c1 587241362 ZSVPQJCEAKFZPX-UHFFFAOYSA-N 360.801 4.331 0 1 FIAF Cc1nccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587586372 BWCUBVYYAUUHBN-DENIHFKCSA-N 372.380 4.280 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCC[C@@H](C)C1)CC2=O 587481899 YAXZYQFWWWIPCO-QRWLVFNGSA-N 359.510 4.437 0 1 FIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1 587750621 UUZIJXRQAMSAPW-ADLMAVQZSA-N 363.274 4.277 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cn(C)nc23)N1 587761789 WFGYXGPRLQWDFB-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(F)c(F)c2)N1 587715521 HZEUSGSEXPJNOP-VGDKGRGNSA-N 372.184 4.196 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccccn2)N1 587775019 YCMKFSWMODJGLW-QHHHIJCISA-N 361.258 4.446 0 1 FIAF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587775396 ZUATYJXLQAPJEL-QGHHPUGFSA-N 365.246 4.006 0 1 FIAF Cc1csc(SCc2ccc(-c3nc4c(O)nccc4[nH]3)cc2)n1 587021669 PANRCKCHFPQDJA-UHFFFAOYSA-N 354.460 4.388 0 1 FIAF Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527710 VRPAVLUYHMCVSO-QFIPXVFZSA-N 365.429 4.097 0 1 FIAF CCOC(=O)CCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587795777 JGOREKLXNGOQCQ-PIGZYNQJSA-N 372.278 4.071 0 1 FIAF C[C@]1(c2scc3c2OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587530248 DJYGWKZFRBRQPC-HXUWFJFHSA-N 356.443 4.279 0 1 FIAF O=S(=O)(/C=C\c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccccc1 586924112 HUMFDPWQVNTDSW-SREVYHEPSA-N 353.230 4.314 0 1 FIAF CCc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144893 QPVMFXVVTRSDCH-CQSZACIVSA-N 362.246 4.269 0 1 FIAF Cc1c(F)ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587075596 FLAHNHRQKDWDKL-UHFFFAOYSA-N 356.788 4.499 0 1 FIAF CCOC(=O)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587105643 CFKYZBPDZLPVIA-ZDUSSCGKSA-N 357.409 4.114 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(C)(C)O)cc1)CC2=O 587491004 TVVLMUVWGAEESJ-JOCHJYFZSA-N 354.446 4.453 0 1 FIAF CCCCS(=O)(=O)N[C@H](c1nc2cccc(C(C)(C)C)c2[nH]1)C(C)C 586933794 XPJMEZGAVPKXFI-INIZCTEOSA-N 365.543 4.277 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O)cc1Cl)[C@@H](C2)C3=O 587421475 MJGXNWHRJIVHBA-BTDLBPIBSA-N 351.185 4.196 0 1 FIAF COc1cc(OC)cc([C@@]2(C)c3cc(OC)ccc3CCN2C(C)C)c1 962089431 JACOGICAFHPXFA-QFIPXVFZSA-N 355.478 4.242 0 1 FIAF Cc1c(F)ccc2c1[C@H](c1cc(F)ccc1N1C[C@H](C)O[C@H](C)C1)NCC2 962304122 ZEJGBDPWASKZER-VVYDWRJNSA-N 372.459 4.122 0 1 FIAF CCc1ccc2c(c1)CC[C@@]21c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962640206 ZGPZJTUZBSHLBL-CMJOXMDJSA-N 351.490 4.332 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCc2cc(C)c(Cl)cc21 963606388 HNGBKSZQNKCPNG-YEJXKQKISA-N 357.881 4.390 0 1 FIAF Fc1cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)ccc1-n1cncn1 962673093 VUUOCTRDYUCXHR-QHCPKHFHSA-N 370.431 4.309 0 1 FIAF Cc1c(CN2CCC[C@H](CCC(=O)N3CCCC3)C2)[nH]c2ccccc12 15066566 RUZWPYAMXFMFJB-GOSISDBHSA-N 353.510 4.091 0 1 FIAF O=C(N/C(=C\c1ccccc1O)c1nc2ccccc2[nH]1)c1ccccc1 17190773 YWGFYARYDDAFHD-RGEXLXHISA-N 355.397 4.197 0 1 FIAF CCCCCCC(=O)c1c(O)oc(=O)c(C(=O)CCCCCC)c1O 169321097 ZEFROSPKDMRUIQ-UHFFFAOYSA-N 352.427 4.357 0 1 FIAF COc1ccc2nc(N[C@@H](c3ccc[nH]3)P(=O)(OC)OC)sc2c1 207106585 OSYYITDVMDIJJZ-CQSZACIVSA-N 367.367 4.230 0 1 FIAF COc1cc2c(cc1OC)C(=O)C[C@@H](c1ccc(CN3CCCC3)cc1)O2 1857657064 ZINFYRCWOWQQQX-IBGZPJMESA-N 367.445 4.006 0 1 FIAF Fc1cc(Br)ccc1-n1ncnc1-c1ccc(Cl)cc1 758109 UQWCCQIBGCNQMF-UHFFFAOYSA-N 352.594 4.489 0 1 FIAF CCCCCCN(C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 2499664 XMJLZEGYEDRTIW-UHFFFAOYSA-N 350.466 4.338 0 1 FIAF CC[C@@H](C)NC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2 3061170 XHQMJBUBUVCXKX-CYBMUJFWSA-N 354.475 4.346 0 1 FIAF CC(=O)Nc1ccc(CN2CC[C@]3(C)c4cc(O)ccc4C[C@H]2[C@H]3C)cc1 13740364 JWXPPVJRCLFJOJ-QABPDZFRSA-N 364.489 4.075 0 1 FIAF COc1cc(-c2coc3cc(O)ccc3c2=O)c(O)c2c1OC(C)(C)C=C2 14658666 JECXZJYJOHFHOZ-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF biogenic,in-vitro CCCC[C@](C)(O)C1=CC[C@@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@H]3C1 27711492 LJTJQLDGHOLLEZ-NAVOZUGXSA-N 369.549 4.471 0 1 FIAF CCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc(C(=O)CC)c1O 27900168 XMMIUFDODVRKLO-UHFFFAOYSA-N 372.417 4.223 0 1 FIAF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1/C=C/[C@@H](O)C1CCCCC1 33954189 CEHGUSRXHYTTPN-ZSMXBAJYSA-N 362.510 4.479 0 1 FIAF in-vitro C[C@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)c(-c2ccc(C(=O)O)cc2)c1 72107886 WROFRVATIQLXLH-UGSOOPFHSA-N 366.413 4.152 0 1 FIAF CCCCOCCCNC(=O)c1coc(-c2ccc3ccccc3c2)n1 82089374 HJORXRVRQFWICL-UHFFFAOYSA-N 352.434 4.431 0 1 FIAF CC(C)CNc1ncnc2c1nc(-c1ccccc1)n2CCc1ccccn1 82177774 GCHSXDNLMILXEK-UHFFFAOYSA-N 372.476 4.199 0 1 FIAF CC[C@@H]([C@H](CC)Cc1ccc(O)c(OC)c1)[C@@H](O)c1ccc(O)c(OC)c1 96014368 BBZFADZHJBEXSO-ZWWNWMABSA-N 374.477 4.444 0 1 FIAF biogenic CCN(CC)CCn1nc2c3c(c(Cl)ccc31)S(=O)c1ccccc1-2 100790956 LHSHAKBGBKSNIF-UHFFFAOYSA-N 373.909 4.179 0 1 FIAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc2c(c1)OCO2 115765721 QQPHKXKJFBTHEY-UHFFFAOYSA-N 357.797 4.119 0 1 FIAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)NC12CC3CC(CC(C3)C1)C2 169348437 NLBBRIQXXXUZNE-ZPUQHVIOSA-N 351.446 4.070 0 1 FIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 586950446 HFJZHLSPGLEQLU-UHFFFAOYSA-N 369.490 4.259 0 1 FIAF Cc1nn(Cc2nc3cc(Cl)cc(C)c3[nH]2)c(C)c1Br 586979142 QXLTYCRXCFLKSB-UHFFFAOYSA-N 353.651 4.149 0 1 FIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(F)cc2[nH]1 586999864 DQRLLLSQCBHLAJ-ZDUSSCGKSA-N 373.229 4.188 0 1 FIAF COC(=O)c1ccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2c1 587067130 VIQPLQKSJHZHGL-UHFFFAOYSA-N 358.825 4.323 0 1 FIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(N)c(N)cc3[nH]2)c1 587195870 MBEUIKMJLXWIFR-UHFFFAOYSA-N 367.453 4.074 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1sc(C(C)(C)C)nc1C)[C@@H](C2)C3=O 587453194 VRQSKQNLXCVSNK-RNODOKPDSA-N 357.475 4.420 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](C[C@H]1CCCCC13OCCO3)CC2=O 587483469 FPNZZAQFZYCRLD-HUUCEWRRSA-N 360.450 4.002 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(SC)nc1C)CC2=O 587492366 OKFLWMRUYVUIKD-LJQANCHMSA-N 358.463 4.046 0 1 FIAF COC(=O)[C@@H]1CCC(C)(C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527523 WCYUDDBVCKELIJ-HTAPYJJXSA-N 356.462 4.269 0 1 FIAF CC(C)c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587776124 WLNNCFIREMPVHP-QLJPJBMISA-N 364.262 4.125 0 1 FIAF CCc1ccc(C(=O)CCc2nc3c(C)c(Br)cnc3[nH]2)cc1 587955838 QRKFPQJDWNZUQZ-UHFFFAOYSA-N 372.266 4.407 0 1 FIAF COc1ccc(-c2nn3c(=O)cc(C(C)C)[nH]c3c2-c2ccccc2)cc1 653667441 UZHKCKDSCZGVRH-UHFFFAOYSA-N 359.429 4.489 0 1 FIAF CCOC1=C[C@]2(CC1)NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962949095 CLJKDMBUPJJSCM-IBGZPJMESA-N 367.411 4.266 0 1 FIAF Cc1ccnc2c1CCN[C@]2(c1ccc(C2OCCO2)cc1)C1CCCC1 963072795 NZISWTSPYOHUIQ-QHCPKHFHSA-N 364.489 4.015 0 1 FIAF COc1ccc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc1OC 1772580302 WLDKGPIBTUFQKT-UHFFFAOYSA-N 374.396 4.160 0 1 FIAF CSc1nc(Cl)cc(Sc2n[nH]c(-c3cc(C)cc(C)c3)n2)n1 1857538869 BQHYELAKLVACDQ-UHFFFAOYSA-N 363.899 4.405 0 1 FIAF CCCCC[C@H](O)C=C[C@H]1[C@H]2C[C@@H](CO2)[C@H]1CC=CCCCC(=O)O 2356472885 LQANGKSBLPMBTJ-CENDIDJXSA-N 350.499 4.336 0 1 FIAF CC[C@@H](NC(=O)c1cc(COc2ccc(C)nc2)on1)c1ccc(C)cc1 15078327 YLDVAMMDKWVZRC-LJQANCHMSA-N 365.433 4.147 0 3 FIAF c1ccc(CNc2nc(NCCc3ccncc3)c3sccc3n2)cc1 61908986 DOCHHKWSQYFJGV-UHFFFAOYSA-N 361.474 4.353 0 3 FIAF Cc1ccccc1C(=O)c1c(O)c2c(c(O)c1Br)CCCC2 1613564 GUHQSCGHCWBMKA-UHFFFAOYSA-N 361.235 4.279 0 1 FIAF COc1ccc2c(c1)C(CCCN1CCN(c3ccccn3)CC1)=CCC2 13733288 DDSQFXURFLIECO-UHFFFAOYSA-N 363.505 4.022 0 1 FIAF O=C(C[C@H](O)CCCCc1ccccc1)c1ncc(-c2ccccn2)o1 14980101 WINBMHQQBYBMDV-QGZVFWFLSA-N 350.418 4.083 0 1 FIAF Oc1ccc2c(c1)OC[C@H]1c3cc4c(c(Cc5ccccc5)c3O[C@@H]21)OCO4 27432529 RAZSYWGJOBGXQQ-RXVVDRJESA-N 374.392 4.321 0 1 FIAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccnc4)c3)c12 28885232 MLJXXDJQBSNERF-UHFFFAOYSA-N 371.444 4.220 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc(Cl)c(Cl)c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c1cc2cc(c1)Nc1nccc(n1)-c1cccc(c1)COCC=CCOC2 254134643 LVRXBZNKAGNVHM-UHFFFAOYSA-N 374.444 4.072 0 1 FIAF COc1ccc2c(c1)CCCN2c1nc(=NC2CCCC2)[nH]c2ccccc12 473110490 WGYVCAKBMKYLKV-UHFFFAOYSA-N 374.488 4.499 0 1 FIAF Cc1c(C)c2ccc(OCCCN(C)Cc3ccccc3)cc2oc1=O 473129540 HMYXFGCACVUUCG-UHFFFAOYSA-N 351.446 4.311 0 1 FIAF O=C(O)c1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1F 587060877 PTOMKMCKQWZCMN-UHFFFAOYSA-N 357.728 4.376 0 1 FIAF FC(F)(F)c1ccccc1Cc1nc2cc(Br)cnc2[nH]1 587099054 WIKWJCFIRPSSPU-UHFFFAOYSA-N 356.145 4.330 0 1 FIAF NC1CCC(c2nc3cc(Br)c(Br)cc3[nH]2)CC1 587256264 CVZIMBWVFFGIMK-UHFFFAOYSA-N 373.092 4.073 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(F)cc3)noc1C)O2 587385375 SIYLAIVGJLVKOB-QGZVFWFLSA-N 352.365 4.386 0 1 FIAF CCOC(=O)[C@@H](CC)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587400084 MZXIXNJXMJGQPA-VGSWGCGISA-N 367.445 4.027 0 1 FIAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccc(O)cc1)[C@@H](C2)C3=O 587448539 DRHWNBGVJNVIAI-GBXCKJPGSA-N 372.420 4.286 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOC)cc1)CC2=O 587480451 JWRSQWWPXQIWRG-HXUWFJFHSA-N 356.418 4.076 0 1 FIAF C[C@@]1(c2ccc3c[nH]nc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595009 MFRHAQIQNWWKOJ-KNQAVFIVSA-N 372.380 4.146 0 1 FIAF COc1cc(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587597958 ADLLOIFOHRJNOZ-DENIHFKCSA-N 362.381 4.412 0 1 FIAF Cc1cc(Cl)cc2c(N)c(-c3ncn(Cc4ccccc4)c3N)[nH]c12 587625962 AJGUWRAXLDTTJP-UHFFFAOYSA-N 351.841 4.206 0 1 FIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1N 587751640 YOXANCALSXHYTK-ADLMAVQZSA-N 363.274 4.277 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cnn(C)c23)N1 587761203 UDHCAQMYCGKRSD-BMLIUANNSA-N 374.257 4.099 0 1 FIAF CCCn1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587761404 BFDKDNMMIOGHQX-BTDLBPIBSA-N 366.278 4.127 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cccnc32)N1 587778199 LNKHSTSUCCFGLZ-BBATYDOGSA-N 361.258 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](C3CC3)C2)N1 587819215 UFJZBDBEDIGZSA-ZEWFUEFWSA-N 366.274 4.097 0 1 FIAF CCCC(=O)[C@H]1C(=O)CC[C@@H](c2cccc(Oc3ccccc3)c2)C1=O 957811104 UKDMTZGUPNXVMS-RXVVDRJESA-N 350.414 4.480 0 1 FIAF Cc1c(F)ccc2c1[C@H]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)NCC2 962089026 FNHVMWZNCHKXOX-AZOIQLNYSA-N 362.489 4.357 0 1 FIAF COc1ccc(N)c([C@]2(C)NCCc3cccc(-c4ccccc4)c32)c1OC 962667784 MWQYGWTXJFYAII-XMMPIXPASA-N 374.484 4.362 0 1 FIAF Cc1nc2c(o1)CCC[C@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962711731 QBUMOKUCCINNSO-VLIAUNLRSA-N 358.482 4.066 0 1 FIAF COc1ccc([C@]2(CC(C)(C)C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962906599 HFYANPSSBAUNIR-AVRDEDQJSA-N 371.452 4.113 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(OC)cc3)[C@@H]2O)cc1 1772570674 BGQXRKQECQXVNM-XZOQPEGZSA-N 374.440 4.030 0 1 FIAF CCOc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1-c1cn[nH]c1 1772577045 LXGGZIPRDNFPHL-CYBMUJFWSA-N 353.397 4.106 0 1 FIAF FC1(F)CCN(Cc2ncn3ccccc23)C[C@@H]1CCc1ccccc1 1772619096 CHAVLJINZHBAED-SFHVURJKSA-N 355.432 4.424 0 1 FIAF CC(=O)c1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1O 1857611330 NYHVOIUQHVNDME-UHFFFAOYSA-N 367.489 4.318 0 1 FIAF Cc1ccc(CNC2CCC3(CC2)O[C@@H](O)Cc2ccccc23)c(C)c1 1857631153 CLNRJJCIOYGSHB-GTMAMOSYSA-N 351.490 4.122 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CC=C[C@](C)(O)C[C@@H](O)[C@@H]12 2356520617 SVFYCYBARKSVJH-MEQSRVSCSA-N 364.526 4.015 0 1 FIAF O=C1CCC=CC[C@H](c2ccc(-c3cccnc3)cc2)C(=O)OCCCO1 2382255060 WSQISVVBRFZHDP-HXUWFJFHSA-N 365.429 4.049 0 1 FIAF C[C@H](NC(=O)[C@@]1(C)CON=C1c1cccc(Cl)c1)c1ccc(F)cc1 772226 JSMZCJKERKIZFM-BUXKBTBVSA-N 360.816 4.097 0 1 FIAF Oc1ccc2c(c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2cccc[n+]21 27109093 SIAPMUSRZHXEFY-YADHBBJMSA-O 356.401 4.290 0 1 FIAF CC[C@@H](c1ccc(F)c(F)c1)n1c(C(=O)N2CCCCC2)c[nH]c1=S 28346900 OJBBADHVAPCQSI-HNNXBMFYSA-N 365.449 4.449 0 1 FIAF COc1cc(OC)c2c(c1C=CC(C)(C)O)O[C@H](c1ccccc1)CC2=O 2356578757 DKYFESWWIPJYTA-KRWDZBQOSA-N 368.429 4.194 0 1 FIAF CCOC(=O)[C@]1(C)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)oc1C 61928689 DLKURAJQEAWJLQ-IBGZPJMESA-N 361.825 4.076 0 3 FIAF C[C@@H]1CCCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 70462964 OFQPETUUAYBGGJ-LLVKDONJSA-N 354.830 4.152 0 1 FIAF C[C@H]1CN2CCN(CC3CCCCC3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075232 OFVJIPBZIJXBCH-QTGUNEKASA-N 356.554 4.256 0 1 FIAF CC(=O)O[C@@H]1CC=C(C)[C@H](COc2ccc3ccc(=O)oc3c2)C1(C)C 14447325 NIQOIGOWPAPYKM-PKOBYXMFSA-N 356.418 4.096 0 1 FIAF biogenic O=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4(CO)CCC4)cc3F)cc12 219335764 AUHQKYJRLRDJNY-UHFFFAOYSA-N 357.356 4.225 0 1 FIAF Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)CS2)cc1 73279435 XGYONXNDSMGIDL-QGZVFWFLSA-N 369.877 4.429 0 1 FIAF COC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2 40712186 MAQMGMISLYBNHO-HZLVSHKOSA-N 372.505 4.385 0 1 FIAF COc1ccc(-c2cc(N[C@H](C)c3ccccc3)ncn2)c(OC)c1OC 82160346 DEXILZSJRZMVIP-CQSZACIVSA-N 365.433 4.343 0 1 FIAF CC1(C)CCC[C@]2(C)O[C@H]2CC/C(C(=O)O)=C\[C@H]1OC(=O)c1ccccc1 238750443 PHIJZXKJBLHDRY-HXCGAGFOSA-N 372.461 4.371 0 1 FIAF COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1OC(C)=O 238755410 UIVHJYHPRMTGAO-AYSGBDHZSA-N 372.461 4.392 0 1 FIAF FC(F)(F)c1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1 96282991 BOHJCIUHLYRUMM-UHFFFAOYSA-N 358.323 4.417 0 1 FIAF Cc1nc2cc(NC(=O)c3cccc(NC(=O)OC(C)(C)C)n3)ccc2o1 618009579 FIQHWRJGRBITJC-UHFFFAOYSA-N 368.393 4.131 0 1 FIAF COC[C@@H](C(C)C)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1 299827633 GPWGZNUXPKWZDK-INIZCTEOSA-N 360.450 4.166 0 1 FIAF CN(Cc1ccc(Br)s1)C(=O)c1cc2ccc(F)cc2[nH]1 299833134 OKKABFIPSDJEGN-UHFFFAOYSA-N 367.243 4.403 0 1 FIAF NCC/C(=C(\c1ccccc1)c1ccc(OCCO)cc1)c1ccccc1 299831704 QJVFISGFLLRJAR-VHXPQNKSSA-N 359.469 4.366 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)cc(F)cc2F)N1 587720157 MSDFGFGLCXPKIQ-VGDKGRGNSA-N 371.200 4.072 0 1 FIAF CC(C)Oc1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587156895 ATBVHBJAWRWGHG-UHFFFAOYSA-N 350.191 4.314 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncoc3c2)N1 587777854 DEVHHBFTUHSTEK-VVVCHXIZSA-N 361.214 4.353 0 1 FIAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587824339 ZTDBCAFGMGYPHF-ADLMAVQZSA-N 364.258 4.400 0 1 FIAF COc1ccc(-c2ncccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587436274 PELPXAGBHFJJLP-WZONZLPQSA-N 373.408 4.255 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc1-2 586883452 JTPGIPHHFMKKQT-UYMFXIDASA-N 356.779 4.445 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3ccccc3[nH]2)N1 587801216 DSGABCPIZHPXNA-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 587150461 QXJSMWSAWPQHEZ-HNNXBMFYSA-N 353.788 4.299 0 1 FIAF Fc1c(Br)ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587034043 BXJKGOZSKZWJJF-NSHDSACASA-N 367.243 4.383 0 1 FIAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccncc1 587105490 AXGGJCMXPSBHGT-UHFFFAOYSA-N 350.377 4.267 0 1 FIAF COc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1C 587147869 UFMFFCCWTARYOY-UHFFFAOYSA-N 354.360 4.226 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@]2(C1)NCCc1cccc(-c3ccccc3)c12 962673455 XBPLORVCUONCTP-HSZRJFAPSA-N 364.489 4.335 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCc2cc(C)c(Cl)cc21 963606385 HNGBKSZQNKCPNG-LRTDBIEQSA-N 357.881 4.390 0 1 FIAF Cc1cc2c(cc1F)[C@](CC(=O)c1ccc(F)cc1)(C(F)(F)F)NCC2 962085731 ADGPEXPUOQAOEM-GOSISDBHSA-N 369.333 4.450 0 1 FIAF CC[C@]1([C@H]2CCOC(C)(C)C2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962645579 ZXZWCWFVFJCREZ-YHEJKZAPSA-N 361.526 4.391 0 1 FIAF Cc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1 13766799 VOLSMORQSJTKPA-UHFFFAOYSA-N 364.283 4.195 0 1 FIAF COC12C[C@H]3CC(C[C@@H](C3)C1)[C@@H]2NCCNC/C=C(\C)CCC=C(C)C 169300574 BJOKLVJCEGAZJQ-PPEQXEMQSA-N 360.586 4.452 0 1 FIAF CCCCn1c(=O)c2c(c3cc(C(=O)N(CC)CC)ccc31)CCCC2 169328407 OBAJVDQKJHFMQA-UHFFFAOYSA-N 354.494 4.162 0 1 FIAF CCN1C/C(=C\c2ccccc2)C2=NC(=S)N[C@@H](c3ccccc3)[C@@H]2C1 169730327 RVGBXVNYSROBSW-RDAIKCOWSA-N 361.514 4.092 0 1 FIAF Cc1ccc(C)n1[C@@H]1C(=O)N(Cc2ccc(Cl)nc2)c2ccccc21 206028983 KCXKZTGKSAKDIE-IBGZPJMESA-N 351.837 4.290 0 3 FIAF Nc1ccccc1NC(=O)c1ccc(CNc2ncnc3ccccc23)cc1 205457162 JHVRUFMLSHBDAH-UHFFFAOYSA-N 369.428 4.076 0 1 FIAF CCCCCCC1=NOC[C@]1(C)C(=O)NCCc1ccc(OCC)cc1 4274690 JIUWGBLMPVXBDK-NRFANRHFSA-N 360.498 4.107 0 1 FIAF CCCCN1C(=O)[C@H]2[C@H]3CCCC[C@@H]3c3c([nH]c4ccccc34)[C@@H]2C1=O 17192329 GGXWBZNRHZUBAJ-KODHJQJWSA-N 350.462 4.324 0 1 FIAF Clc1cccc(Cl)c1CCO[C@@H]1CCCC[C@H]1N1CCOCC1 28653703 NRZZBCREACDCIT-QZTJIDSGSA-N 358.309 4.196 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 34947609 ZOIUUCNFVDJSJK-VLDRPNAOSA-N 374.569 4.039 0 1 FIAF CCCCOc1cc2[nH]cc(C(=O)OCC)c(=O)c2cc1OCCCC 45201507 OOIVTAOJPSQMLJ-UHFFFAOYSA-N 361.438 4.063 0 1 FIAF CC(C)CC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72142367 MOQSJAWCRNPMOY-OAQYLSRUSA-N 371.912 4.015 0 1 FIAF CC1(C)Oc2cc(C(=O)c3cccs3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84725113 SLXAGBNQHNNLFG-MGPQQGTHSA-N 358.459 4.100 0 1 FIAF O=C(Nc1ccc(F)c(-c2nc3cc(Cl)cnc3[nH]2)c1)N1CCCC1 103271498 GJFZAZIQPKMNGC-UHFFFAOYSA-N 359.792 4.045 0 1 FIAF NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 145448794 LAAIYHTUJOTABI-OAHLLOKOSA-N 352.415 4.101 0 1 FIAF Cc1cc(O)c(-c2ccc(C[C@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12 150147687 PKJUJTYYMYNCFT-LBPRGKRZSA-N 364.470 4.314 0 1 FIAF CC(=O)N[C@@H](C)/C=C/c1cnc(Oc2ccc(OCC3CC3)cc2)s1 206932536 YHALKZRGYMJABM-DQPCJIFYSA-N 358.463 4.262 0 1 FIAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1N 586987577 OPXCSKGNHNMYPN-UHFFFAOYSA-N 368.392 4.410 0 1 FIAF O[C@H](c1ccc(Br)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586996202 AXWJKEOMVQTHMZ-LLVKDONJSA-N 373.037 4.109 0 1 FIAF Nc1cc2c(cc1-c1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)OCO2 587105147 QGHKEBXKBURCJB-UHFFFAOYSA-N 366.376 4.424 0 1 FIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587116191 SBNZCRLNUANOSR-UHFFFAOYSA-N 370.549 4.337 0 1 FIAF CC[C@@H](Oc1ccccc1F)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587156806 ZFMZNCMHUPFFFN-OAHLLOKOSA-N 358.369 4.027 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2cncc(Cl)c2[nH]1)C1CCCC1 587227190 WGEYSQWRCQXJIO-ZDUSSCGKSA-N 350.850 4.367 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1F)O2 587383079 XERKXMHOJTYKBI-OAHLLOKOSA-N 350.187 4.185 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)CC[C@@H]1C(=O)OCC 587482363 STBVQSXZAHVMSN-QSZISKGPSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccc(C)cc3[nH]1)CC2=O 587483885 MVDRGBCYODZUHZ-OAQYLSRUSA-N 350.418 4.410 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1nc(C)no1)CC2=O 587486911 UUCJGRVWWFRAGK-LJQANCHMSA-N 364.401 4.410 0 1 FIAF CCC(=O)CC[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813072 MTNHOJXZAREORX-APPDUMDISA-N 356.279 4.487 0 1 FIAF CCC[C@@H]1C[C@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587831649 IKYODXXCNVLUJR-NDGTYSDOSA-N 356.279 4.297 0 1 FIAF Brc1ccc2c(c1)[C@H](c1cc3ncccc3[nH]1)NC1(CC1)C2 961321753 KLAPZPUUOMDDNH-QGZVFWFLSA-N 354.251 4.093 0 1 FIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](C3CCC(F)(F)CC3)N12 962645981 SJNCSJDGAUPICH-LAUBAEHRSA-N 374.431 4.200 0 1 FIAF COc1ccc(C[C@]2(C)c3ccsc3CCN2Cc2ccco2)cn1 962705258 KSYTXKAOCJDHQH-HXUWFJFHSA-N 354.475 4.261 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@]1(CCC[C@H]1c1ccccc1Cl)NCC2 962927607 WNSTXRQCDRERIY-PGRDOPGGSA-N 368.908 4.351 0 1 FIAF Cc1cnc(NC(=O)N2CCCN(c3ccc(C)c(Cl)c3)CC2)s1 2382217283 YDINYPNLAYEPEW-UHFFFAOYSA-N 364.902 4.158 0 1 FIAF c1coc(CCNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 36382596 MQSQPFAQNYDQLL-UHFFFAOYSA-N 359.385 4.273 0 3 FIAF COc1cc([C@H](O)c2nc(-c3ccc(N(C)C)cc3)cs2)ccc1F 61904198 HBWBLYCZCHOALR-SFHVURJKSA-N 358.438 4.106 0 3 FIAF CCCCCCC(=O)N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199358503 LXXBMKPMWHKOFJ-SFHVURJKSA-N 364.917 4.308 0 3 FIAF CSc1ccc(CN2CC[C@@]2(C)C(=O)N[C@H]2CCc3ccccc32)cc1 253779095 LXODSPSAKYHCCS-UNMCSNQZSA-N 366.530 4.177 0 3 FIAF COc1cc(CNC(=O)CCCCCCCCCCC(=O)O)ccc1O 13832533 OQNXMNNFBRVVJP-UHFFFAOYSA-N 365.470 4.003 0 1 FIAF NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 28817128 YXQDIPCOBGBUHS-UHFFFAOYSA-N 372.512 4.218 0 1 FIAF O[C@@H](CNCc1ccccc1)[C@H](c1ccccc1)n1ccc2ccccc21 35858467 UEDLLBHXEVXPDP-ZEQRLZLVSA-N 356.469 4.381 0 1 FIAF S=C(NC1C2CC3CC(C2)CC1C3)N1CCC(c2cccc(Cl)c2)=N1 40917274 WGIKPJYNTYUYGL-UHFFFAOYSA-N 373.953 4.449 0 1 FIAF COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O 63298378 GCZJQTRRJPRFIP-UHFFFAOYSA-N 359.385 4.196 0 1 FIAF O=C(Nc1ccccc1F)Nc1cccn(Cc2ccccc2Cl)c1=O 64526411 HZTRDEPYUBTFDX-UHFFFAOYSA-N 371.799 4.333 0 1 FIAF CC[C@@H](C)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C)c(=O)c12 73219790 HWMHPXAHTBQKGP-LLVKDONJSA-N 359.857 4.184 0 1 FIAF COc1cc(-c2n[nH]c3ccnc(-c4ccsc4)c23)cc(OC)c1OC 82079014 CYRJYMUUBJIKFZ-UHFFFAOYSA-N 367.430 4.379 0 1 FIAF Brc1ccccc1-c1nnc(/C=C/c2ccc3c(c2)OCO3)o1 96284409 CHOCPYIVLXZZLG-SOFGYWHQSA-N 371.190 4.398 0 1 FIAF S=c1oc(-c2csc(-c3ccccc3)n2)nn1CN1CCCCC1 98084580 LCSQHUZNDFMMHN-UHFFFAOYSA-N 358.492 4.439 0 1 FIAF CN(C)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc1 100760088 XHOCRLBVBKTWIN-KOUNCHBCSA-N 363.505 4.152 0 1 FIAF CC[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2c2cc([C@@H]3C[C@H](C)C(=O)O3)n3c2[C@@H]1CCCC3 102227648 RFGMIDHPFYCJDM-GZJVQRGCSA-N 371.477 4.065 0 1 FIAF O=C1N[C@@H]2CCCC[C@H]2N1C1CCN([C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 261165441 RVFJUGFEQYVYCP-CXUGJCBMSA-N 359.558 4.146 0 1 FIAF CC(C)[C@@](C)(O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586891086 SFNQEZQZGUINQM-GFCCVEGCSA-N 351.166 4.208 0 1 FIAF Fc1cnc(Cl)c2[nH]c(-c3ccnc(Br)c3Cl)nc12 587005845 WDFIOIAUTISLBS-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF Fc1cccc2c(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)n[nH]c12 587175803 BFRUJYINTVXNLD-UHFFFAOYSA-N 371.244 4.294 0 1 FIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(F)cnc2[nH]1 587190981 KCNJVSYIFNHHDC-OAHLLOKOSA-N 356.401 4.053 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)cccc1Br)O2 587382170 PEFRTGKGXRERJU-QGZVFWFLSA-N 364.214 4.359 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3cc(C)cn3)o1)CC2=O 587476952 SHRKAASJPVFWQB-HXUWFJFHSA-N 366.417 4.197 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC[C@@H]3CO3)cc1)CC2=O 587482168 CDUSPBQCARFUSJ-OPAMFIHVSA-N 368.429 4.003 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cccc(OC)c3C1)CC2=O 587485053 YEKZMKDKUNCSFW-QFIPXVFZSA-N 352.430 4.246 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cccc1Cl 587540604 BBYIFONDETYWNO-YLJYHZDGSA-N 368.772 4.454 0 1 FIAF Cc1ccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc2c1 587775182 PMTVWQFAEPMMJJ-BBATYDOGSA-N 374.257 4.168 0 1 FIAF Cc1cc2c(cn1)[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587779577 UJKDQGDEBZTFLM-ADLMAVQZSA-N 361.258 4.016 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(C)(C)C)N1 587810573 LEUVKISANPOQAF-QGHHPUGFSA-N 356.279 4.343 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)C(=O)C2)N1 587824411 WAZXTOKNNVXNNT-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1[nH]c2ccc(F)cc2c1C 963634070 IXZQHKHQPXOQRP-MQJDWESPSA-N 354.425 4.256 0 1 FIAF COc1cc(/C=C/c2ccccc2O)c(Br)c(OC)c1OC 1772619668 VDIJZFRAKNMNLB-CMDGGOBGSA-N 365.223 4.351 0 1 FIAF CCOc1ccc(Nc2cc(NC(=O)/C=C/c3ccccc3)ncn2)cc1 1857656094 JRMNYXFWMDRDLZ-MDWZMJQESA-N 360.417 4.271 0 1 FIAF O=C(CNCCC1=CCCCC1)Nc1ccc(N2CCCCCC2)cc1 4895998 JZJJLRYPRCDJNY-UHFFFAOYSA-N 355.526 4.486 0 3 FIAF Cc1cccc([C@H]2C[C@]3(CC(C)(C)N=C(S)N3)Oc3cc(O)ccc32)c1 13556629 XCPZJDYJAXIWTF-DYESRHJHSA-N 368.502 4.369 0 3 FIAF c1ccc2cc(-c3cnnc(N4CCC[C@H]4c4nccs4)n3)ccc2c1 12753271 ZQHNLQCPUKDTIW-SFHVURJKSA-N 359.458 4.490 0 1 FIAF O=C(CCC[C@@H](O)CCc1ccccc1)c1ncc(-c2ccccn2)o1 14980113 GYMZRWOLXIOFJM-QGZVFWFLSA-N 350.418 4.083 0 1 FIAF CCN(CC)[C@H]1Oc2cc3c(cc2[C@H](c2ccc(OC)cc2)[C@@H]1C)OCO3 17252779 WWDZZJZRKOMCFQ-RWGOJESNSA-N 369.461 4.252 0 1 FIAF c1ccc2c(c1)[C@H]1CC(c3cncs3)(c3cncs3)[C@@H]2c2cccc[n+]21 26649949 KZMYFKPKBGNIGS-XLIONFOSSA-N 374.514 4.312 0 1 FIAF Cc1cccc(SC[C@@H](C)CN[C@@H]2COc3ccccc3SC2)c1N 43071389 PFCIYLXAJNOREM-GOEBONIOSA-N 374.575 4.448 0 1 FIAF C[C@@H](c1ccccc1)c1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1 45285108 LMKPQMOEIJCWGT-ZDUSSCGKSA-N 363.486 4.351 0 1 FIAF c1cnc(NCc2ccc(CNc3ccccc3N3CCCC3)cc2)nc1 72108759 ZHVFEEGQVDLZTF-UHFFFAOYSA-N 359.477 4.301 0 1 FIAF CCOc1ccc(-c2cc(N[C@H](C)CCCN(CC)CC)ncn2)cc1 82161975 BMIFLZOGFNDSQZ-QGZVFWFLSA-N 356.514 4.465 0 1 FIAF Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccccc2)oc1C 82162786 IIJZNGSZCMZYPW-INIZCTEOSA-N 350.422 4.006 0 1 FIAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCC(C)C)ncnc21 82177850 BGFUIUWZIUMBIR-CQSZACIVSA-N 353.470 4.313 0 1 FIAF O=C(CCC(F)(F)F)N1CCC(c2cc(-c3cccs3)n[nH]2)CC1 84538177 QSUMSPVJQLDSJK-UHFFFAOYSA-N 357.401 4.187 0 1 FIAF CO[C@H]1Cc2ccccc2[C@]2(CCN(CCCCc3ccccc3)C2)O1 84730016 GCZKQSXITDZRGB-DHIUTWEWSA-N 351.490 4.156 0 1 FIAF C=C(c1ccccc1)c1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1 100921401 HVLZZLCPCRNKEL-ODAXIHTASA-N 361.485 4.487 0 1 FIAF Clc1ccc(N[C@H]2C[C@@H](Oc3ncccc3C3CCOCC3)C2)nc1 144306520 JIYNDMOZVSVFHS-WKILWMFISA-N 359.857 4.046 0 1 FIAF COCCn1ncc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 147404115 CTHLAPNHCMOVBE-UHFFFAOYSA-N 364.232 4.242 0 1 FIAF Cc1sc2nc(-c3ccncc3)nc(NCCN)c2c1-c1ccccc1 223666716 LETOESSEOGGWER-UHFFFAOYSA-N 361.474 4.099 0 1 FIAF CCOc1nn(-c2ccc(Br)cn2)c(C)c1Cc1ccccc1 474609307 PCDPFOVZNOYPKH-UHFFFAOYSA-N 372.266 4.328 0 1 FIAF Cc1ccc(-c2nc(-c3nc4c(Br)ccnc4[nH]3)cs2)o1 587018140 XCOZJIBZAGZRAR-UHFFFAOYSA-N 361.224 4.412 0 1 FIAF Fc1cnc(Cl)c2[nH]c(-c3ccccc3OCc3cscn3)nc12 587030059 ZLTKZBQQDOFMCQ-UHFFFAOYSA-N 360.801 4.453 0 1 FIAF CNc1cc(Cl)ccc1-c1nc2c(F)cnc(Br)c2[nH]1 587067420 ZFZMMCJTPLDROI-UHFFFAOYSA-N 355.598 4.222 0 1 FIAF CSc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587150752 TYTMNQWVMMQPNH-GFCCVEGCSA-N 373.428 4.079 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccnc1Br)O2 587371429 FKVWFMUTRGGFKG-GFCCVEGCSA-N 367.630 4.095 0 1 FIAF CCCc1c(O)ccc2c1O[C@](Cc1cnccn1)(c1ccccc1)CC2=O 587486271 AYNSGXQJMXLVBJ-QHCPKHFHSA-N 374.440 4.238 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1ccccc12 587612897 WLBLYRVJAHLJFP-NFBKMPQASA-N 374.392 4.422 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2coc(C3CC3)n2)N1 587773117 IDABERNOFHCTAJ-XYZCENFISA-N 365.246 4.251 0 1 FIAF Cc1ccc2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 587776891 YVALUPKLVSPHRW-ZMZPIMSZSA-N 374.257 4.168 0 1 FIAF COCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587801699 MZXJHJAINVXBNM-VOJFVSQTSA-N 364.258 4.358 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccncc23)N1 587805253 SQTXEYBLIOBBCO-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(C)(C)C)(C(=O)O)N1 587827957 MLXOUJCWIPABIT-DYZYQPBXSA-N 372.278 4.229 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC23CCOCC3)N1 587834595 LLEOQQGBLROMHL-SGTLLEGYSA-N 368.290 4.298 0 1 FIAF Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CC3 653708038 OOELREAJRFALHT-UHFFFAOYSA-N 371.849 4.222 0 1 FIAF Cc1ncc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)[nH]1 963832697 RMQKKTJYMMRAFY-QFIPXVFZSA-N 358.445 4.014 0 1 FIAF O=C(O)CCCCN1CCC[C@@H]1c1nc(-c2ccc3ccccc3c2)no1 1857617983 BFQGPHMYDUPORT-GOSISDBHSA-N 365.433 4.282 0 1 FIAF CCOC(=O)C1=C2CCCN2C(C2CC2)=N[C@@H]1c1ccc(F)cc1Cl 1857633210 IVSMKTHDZOCWDD-QGZVFWFLSA-N 362.832 4.255 0 1 FIAF Brc1cccc([C@@H]2C[C@@H](c3cccs3)N3NN=NC3=N2)c1 2914120 PJXUIJLKCZVQMF-RYUDHWBXSA-N 362.256 4.240 0 1 FIAF CCN1c2ccccc2N(C)C(=O)c2cc(C(F)(F)C(F)(F)F)cnc21 5843144 RPRAZABDWBSLOI-UHFFFAOYSA-N 371.309 4.484 0 1 FIAF COC(=O)CCCCCCCCCCCC[C@@]1(O)OC(=O)C(C)=C1C 13460889 WEYHQMXMAXDFSN-HXUWFJFHSA-N 354.487 4.422 0 1 FIAF biogenic O=C(O)C1(c2ccc(-c3ccc(OC4CCOCC4)cc3)c(F)c2)CC1 13672571 VXXOUCDUSKLGRM-UHFFFAOYSA-N 356.393 4.167 0 1 FIAF COc1ccc(C2=C(c3ccc(O)cc3)CN3CCC[C@@H]3C2)cc1OC 14696006 JOMCLUGDXHCAGV-QGZVFWFLSA-N 351.446 4.188 0 1 FIAF biogenic CC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 25757608 PTGGVIKFNQSFBY-NGIGFHQTSA-N 358.478 4.210 0 1 FIAF CC(=O)c1cccc(NC(=O)NN2CCCC[C@H]2Cc2ccc(F)cc2)c1 28112350 SOEZEWJTMGDYDZ-FQEVSTJZSA-N 369.440 4.162 0 1 FIAF COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(Br)cc3)c1C2 28954314 FPFABRQYYDMQCO-UHFFFAOYSA-N 371.234 4.428 0 1 FIAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O 49055589 QJRNEHJGTLWRJJ-RQCDOOQUSA-N 353.506 4.310 0 1 FIAF Cc1ccc(-c2nc3cc(NC(=O)CCN4CCCCC4)ccc3[nH]2)cc1 72110300 JWSGRVDQWVHMMZ-UHFFFAOYSA-N 362.477 4.353 0 1 FIAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(C2CC2)c1)O3 96269841 MURYVBCFTSNION-QRWLVFNGSA-N 352.386 4.027 0 1 FIAF O=C(NCCN1CC=C(c2ccccc2)CC1)c1ccc2ccccc2c1 169335009 ATZIYDXZYAFTDA-UHFFFAOYSA-N 356.469 4.359 0 1 FIAF CC1=Nc2[nH]ncc2[C@@H](c2ccco2)[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 169724274 VFYQKLRNEALTCH-HOTGVXAUSA-N 372.787 4.288 0 1 FIAF COC[C@H](C)[C@@H](C)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1 299828494 JOAFMJSIGQRTTK-UONOGXRCSA-N 360.450 4.166 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3cc(F)c(F)cc3[nH]2)cc1 586970500 LDCMBFYRNDCMHV-UHFFFAOYSA-N 361.417 4.064 0 1 FIAF Clc1ccc(-n2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)nn2)cc1 587076838 WHIWXGYAZWACHI-UHFFFAOYSA-N 365.611 4.166 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587151767 ILXKKZFQLHLAQN-KGLIPLIRSA-N 356.372 4.218 0 1 FIAF Fc1cc2[nH]c(-c3cncc(I)c3)nc2cc1Cl 587185462 UTJUFKGVSAWTSA-UHFFFAOYSA-N 373.556 4.022 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3cccc(Cl)c3)c1)O2 587378158 MITRUAWFLIISMV-SFHVURJKSA-N 353.809 4.123 0 1 FIAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C(F)(F)F 587381193 HHMDCQYVGUQVAF-SFHVURJKSA-N 365.351 4.485 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3)nn1C)CC2=O 587476264 QXVQNBJNWIXPPX-OAQYLSRUSA-N 362.429 4.452 0 1 FIAF C[C@@]1(c2cc(Cl)cnc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587500547 QABFQASKAAKQNT-FQEVSTJZSA-N 371.820 4.193 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1Cl 587546987 RQYKRJQKFXFLSF-FXAWDEMLSA-N 368.772 4.454 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(Cl)c1 587550484 WMRQKOHLDNBXIU-PXNSSMCTSA-N 368.772 4.454 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(Cl)c1 587550485 WMRQKOHLDNBXIU-XLIONFOSSA-N 368.772 4.454 0 1 FIAF Cc1cc2c(o1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617469 PUBYCTJRWASYOP-DENIHFKCSA-N 362.381 4.487 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2N)N1 587693436 DGGMMGRMFOAVIT-VPTHRUTESA-N 369.665 4.447 0 1 FIAF COc1cccc(F)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587718082 HPRKQBLWJMCZAI-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF Cc1cncc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587773464 IVDDVFJSMWUZMA-WBMJQRKESA-N 363.274 4.500 0 1 FIAF Cc1cccc2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn12 587774675 NTFPVLHJHCCPHJ-XTZNXHDOSA-N 374.257 4.168 0 1 FIAF CCOc1ccccc1OCc1nc2cc(Br)c(F)cc2[nH]1 587779723 FOADAUXHKOKGAW-UHFFFAOYSA-N 365.202 4.442 0 1 FIAF CC[C@H](C)OC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798265 ZFTLIAVQHURIQZ-PSVSLLHZSA-N 372.278 4.069 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cnccc3[nH]2)N1 587800623 BXVVBKVOFXWNNH-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2nc(Br)c[nH]c-2n1 587951210 FYTJJCJZOYXPCY-VWYCJHECSA-N 353.264 4.113 0 1 FIAF O=C(O)Cc1ccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 587961728 OQMHEGRIOHHJKO-UHFFFAOYSA-N 366.364 4.393 0 1 FIAF Fc1ccc2c(c1)OCC[C@]21c2cccc(F)c2CCN1[C@H]1CCSC1 962700732 KIVMJEYJHQWSJV-BTYIYWSLSA-N 373.468 4.355 0 1 FIAF COc1ccc2c(c1)[C@H](c1nc(C)sc1Br)N[C@@H]1CC[C@H]21 962998767 VUGCIFNEWICWCY-MRVWCRGKSA-N 365.296 4.161 0 1 FIAF CCOC(=O)/C=C/c1cc(OC)c(OC)cc1/C=C/c1ccccc1O 1772655251 PDVYYXWEJSZRPH-HULFFUFUSA-N 354.402 4.156 0 1 FIAF CC(=O)Nc1ccc(Nc2cc3c(cn2)nc(-c2ccccc2)n3C)cc1 1857586112 BYZHQZRZBVAZMC-UHFFFAOYSA-N 357.417 4.337 0 1 FIAF N=c1[nH]c2ccccc2cc1CCC(=O)N1CCC[C@H](Cc2ccccc2)C1 1857598797 LIWRAYQUOUYJLM-LJQANCHMSA-N 373.500 4.061 0 1 FIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)O)cc21 1857610589 JDMLRXFKJTVUHN-UHFFFAOYSA-N 372.424 4.039 0 1 FIAF FC(F)(F)c1ccc(-n2cc(COCc3ccccc3S)nn2)cc1 1857618541 WEBLMWITIGIBPU-UHFFFAOYSA-N 365.380 4.292 0 1 FIAF OCc1ccccc1-c1cn2c(-c3ccc4ncccc4c3)cnc2cn1 1857741875 XCTIUWMIUUPVBQ-UHFFFAOYSA-N 352.397 4.104 0 1 FIAF CCC=CC[C@@H](O)C=CC=CCCC=CC=CC=C[C@@H](O)CCC(=O)O 2356845550 OGAHFIOAOYQNIH-NHCUHLMSSA-N 360.494 4.491 0 1 FIAF Cc1onc(-c2ccccc2F)c1C(=O)NCCc1c[nH]c2ccccc12 775167 AXLWRYXBYLFGRH-UHFFFAOYSA-N 363.392 4.243 0 1 FIAF CCN(CC)C(=S)Nc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 1642494 XSAMYPJPRUQNHY-UHFFFAOYSA-N 368.458 4.204 0 1 FIAF O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1C(=O)O 13095059 GBSUGFRFOZLVIA-UHFFFAOYSA-N 374.607 4.363 0 1 FIAF CC1(C)CN(N2CCCCC2=O)c2cc(Br)ccc2S1 13525452 DJPRDHFXVZPUPY-UHFFFAOYSA-N 355.301 4.067 0 1 FIAF COc1cc(O)c(CC=C(C)C)cc1-c1coc2cc(O)cc(O)c2c1=O 14762954 TXSJLKKSBFSNIH-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF biogenic CCCCn1c(Sc2nc3cccc(F)c3s2)nc2c(N)ncnc21 14974469 UFONZWQOAQHFBD-UHFFFAOYSA-N 374.470 4.109 0 1 FIAF COc1cccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)c1 28821362 IGOGDWBPFWVELC-UHFFFAOYSA-N 374.484 4.243 0 1 FIAF Cn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4F)cc23)n1 45289901 IASPBPPPOAHMMS-UHFFFAOYSA-N 353.332 4.177 0 1 FIAF O=C(c1cnc(NC2CCCCC2)nc1-c1ccccc1F)N1CCCC1 82151264 DWPOFSUWLIMODN-UHFFFAOYSA-N 368.456 4.263 0 1 FIAF Cc1cc(-c2cc(F)ccc2C(=O)O)nc([C@H]2CCCCN2C(C)C)n1 299851037 UWIARFWMPUVZBM-GOSISDBHSA-N 357.429 4.225 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 586918588 ZBLZZHCWGRGZMD-WYRIXSBYSA-N 360.335 4.197 0 1 FIAF Cc1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2n1 586959105 IRHLRKFUAHLUQQ-SANMLTNESA-N 361.470 4.305 0 1 FIAF Nc1ccc2c(c1)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586987664 PWFFJZTXFMJVEX-UHFFFAOYSA-N 350.377 4.305 0 1 FIAF Cc1nccc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc12 587018357 WOBMIGOXKBKBCG-UHFFFAOYSA-N 358.430 4.104 0 1 FIAF COC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1OC 587108932 CUZIBPWRGBLYJB-UHFFFAOYSA-N 368.286 4.183 0 1 FIAF Fc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(N2CCCC2)n1 587177375 GKSVNUNDXQWIMY-UHFFFAOYSA-N 352.200 4.066 0 1 FIAF COc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Cl 587233648 SBLPXFQRZPGROK-CMPLNLGQSA-N 365.861 4.386 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OC(F)(F)F)c1)O2 587381333 FUSCOSREYGSTGP-KRWDZBQOSA-N 351.324 4.356 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(C(C)(C)C)c1)[C@@H](C2)C3=O 587445426 YVFMEICSJFQVDY-BTYIYWSLSA-N 352.430 4.490 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)cc3[nH]c(=N)oc13)CC2=O 587472746 MDOPMLGUPXGBDZ-NRFANRHFSA-N 366.417 4.087 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(C(=O)O)ccc31)CC2=O 587489618 ONOYTBVJFJDTCQ-JOCHJYFZSA-N 366.413 4.240 0 1 FIAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CCC[C@H]2CN(C2CC2)C1 587519271 XIJQYGZUVNYAJV-IRXDYDNUSA-N 351.490 4.164 0 1 FIAF C[C@@]1(c2c(N)sc3c2CCOC3)CC(=O)c2ccc3c(c2O1)CCCC3 587536343 UZYSXWGANYIWGG-NRFANRHFSA-N 369.486 4.162 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CF)n2)N1 587721091 VNMRGTVVVTWTSA-FVMDXXJSSA-N 353.210 4.076 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ncccc32)N1 587776166 BIUWNZIJZAOHJW-BBATYDOGSA-N 361.258 4.097 0 1 FIAF O=N[C@@H]1/C(=C2/C(=O)Nc3cc(Br)ccc32)Nc2ccccc21 957575785 WFRDXNRAUPBBTO-RHIYTYFCSA-N 356.179 4.046 0 1 FIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(OC)cccc21 1857579612 KDGVUXFILIECMJ-UHFFFAOYSA-N 358.441 4.349 0 1 FIAF Cc1c(C)c2ccc(OCCCN3CCc4ccccc4C3)cc2oc1=O 1857581556 CACNJUZLFSDMHF-UHFFFAOYSA-N 363.457 4.237 0 1 FIAF CC[C@@H]1CN(Cc2ccccc2)c2cc(-c3cn[nH]c3)ccc2N1C(C)=O 1857755541 VOVMWMPYDOAIKC-HXUWFJFHSA-N 360.461 4.228 0 1 FIAF COc1cccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1OC 632794 JVHIGVJTQLMJKV-UHFFFAOYSA-N 350.296 4.440 0 3 FIAF COc1ccc(NC(=O)Nc2nc([C@@H](N)C3CCCCC3)cs2)cc1 61902244 RTOADZFGZVEFHB-INIZCTEOSA-N 360.483 4.376 0 3 FIAF O=C(O)[C@@H]1[C@@H]2CCCCC2=C2CCCC[C@@H]2[C@H]1C(=O)Nc1nccs1 254103563 UAEKMUHPIUFOAJ-ZJIFWQFVSA-N 360.479 4.089 0 3 FIAF CC1=Nc2nnnn2[C@H](c2cccc(Cl)c2)/C1=C(\O)OC1CCCCC1 104115483 RGTGDTYYXCUWOD-IBOXJLQUSA-N 373.844 4.141 0 1 FIAF CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)C[C@H]1C[C@H](C)C(=O)O1 2356404644 SVOIVAHAKDYEOL-KBPBESRZSA-N 368.385 4.206 0 1 FIAF CC(C)(C)[C@H]1CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 100852747 OYFATNWHESZHAW-KDURUIRLSA-N 369.553 4.020 0 1 FIAF Cc1c2ccc(N(C)c3ccnc(Nc4cccc(F)c4)n3)cc2nn1C 103261662 ZZOSNJKKAQFXHV-UHFFFAOYSA-N 362.412 4.322 0 1 FIAF COc1ccc(S(=O)(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1OC 103248106 LLQBWZXFQKINQV-MDZDMXLPSA-N 372.364 4.167 0 1 FIAF CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)c(Cl)c1 66077325 MZEMISAYOIRJDE-UHFFFAOYSA-N 351.859 4.424 0 1 FIAF Cc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)n1 33504922 VDRRVCPXOUMIQD-CQSZACIVSA-N 354.262 4.179 0 1 FIAF COc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1O)CC2=O 14762610 KRZULWISCLYGBT-IBGZPJMESA-N 370.401 4.027 0 1 FIAF biogenic CCN(CCOc1ccccc1Sc1cccc(Cl)c1)CC(=O)O 36143396 DIQWCGHKVIQUSN-UHFFFAOYSA-N 365.882 4.277 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2ccc(F)cc2)n1 82141004 MMLBDJPDRHTESM-AWEZNQCLSA-N 356.445 4.119 0 1 FIAF O=c1cc(CO)oc([C@H](Nc2ccccc2)c2ccc3ccccc3c2)c1O 2382216698 PPOGXDZLBVKRJB-OAQYLSRUSA-N 373.408 4.192 0 1 FIAF COc1ccc(-c2ccc(CN=c3ccnc(NCC(C)C)[nH]3)s2)cc1 2382257194 LPNNNEDQSCPVCC-UHFFFAOYSA-N 368.506 4.316 0 1 FIAF COc1cc(O)cc(OC)c1CN1CCC(c2c[nH]c3ccccc23)CC1 473084662 TWBMSHGDAQBQPG-UHFFFAOYSA-N 366.461 4.270 0 1 FIAF Cc1ccc(C(=O)COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 653730174 DUDYBRLHZLBAIU-UHFFFAOYSA-N 362.303 4.382 0 1 FIAF O=C1CCc2cc3nc(-c4cccc(-c5ccc(O)cc5)c4)[nH]c3cc2N1 586897326 ASRFTJRSIFGENZ-UHFFFAOYSA-N 355.397 4.487 0 1 FIAF CC[C@@]1(CC(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587815730 PFZJXZWOBZBGTN-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF Cc1ccc2c3c(c4c(nc13)CCC[C@@H](C(=O)O)C4)-c1ccccc1C2=O 587100944 JCNIYNLVGLANPL-CYBMUJFWSA-N 357.409 4.334 0 1 FIAF COc1ccc(C2(c3nc4cnc(Cl)[nH]c-4n3)CC3(CCC3)C2)cc1 587938104 SENFYNFWYLSUHX-UHFFFAOYSA-N 354.841 4.217 0 1 FIAF CCOC1=C[C@@]2(CCC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587799765 CSQYIJKAWISESH-PIGZYNQJSA-N 354.263 4.422 0 1 FIAF CCOc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587397449 VRVVOVVQJNSLQX-IBGZPJMESA-N 363.417 4.073 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)([C@@H](C)O)CC2=O 587485394 SAYVZVTZSBDMBS-DMZKTXOQSA-N 365.429 4.068 0 1 FIAF CC(=O)c1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587816393 XPAFCEQAKRNHAK-XTZNXHDOSA-N 362.242 4.414 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)c(F)c2)N1 587726822 LCLAIXSYQJAKIJ-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(Cl)cc2[nH]1 586963418 NGBTWBMXYOOBES-ZDUSSCGKSA-N 364.858 4.272 0 1 FIAF CCCC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806049 IRAUDFBLCDJYMY-GTNSWQLSSA-N 372.278 4.071 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccccc1)CC2=O 587490355 RNXMYNLKSCOHKF-JOCHJYFZSA-N 368.429 4.460 0 1 FIAF COC(=O)c1cc(Br)c2nc(-c3ccc(CN=O)cc3)[nH]c2c1 587189713 FQZMYVBBZUFZMV-UHFFFAOYSA-N 374.194 4.045 0 1 FIAF O=c1cccc(-c2nc3ccccc3[nH]2)n1CCOc1ccccc1Cl 587063925 DSRVGSRVHBQAFS-UHFFFAOYSA-N 365.820 4.124 0 1 FIAF O=C(/C=C/c1nc2ccc(Br)cc2[nH]1)Nc1ccc(F)cc1 587167849 YMMGYYWCGCYJAC-BQYQJAHWSA-N 360.186 4.116 0 1 FIAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(O)cc4[nH]3)ccc12 586918884 RVRLQVVFGQHWOL-UHFFFAOYSA-N 364.401 4.297 0 1 FIAF CCOC(=O)c1c[nH]c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2c1=O 587213701 ZHUFXJLVWWZZSP-UHFFFAOYSA-N 370.408 4.019 0 1 FIAF Cc1c(Cl)ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586920323 IJCHVZUOZXUDNR-UHFFFAOYSA-N 374.893 4.030 0 1 FIAF C[C@]1(Cc2cc(Cl)cc(Cl)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962905265 DEMQSDHVHUYIMJ-MAUKXSAKSA-N 368.235 4.189 0 1 FIAF CC(C)Cn1ccnc1[C@H]1c2ccsc2CCN1Cc1cccn1C 962373460 MHNAXHIHPWVIBK-LJQANCHMSA-N 354.523 4.087 0 1 FIAF C[C@@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccc(Cl)cc2)=NO1 12726721 KGOAJPFGKJLNIR-IBGZPJMESA-N 353.809 4.354 0 3 FIAF COC(=O)[C@H]1CN(CCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1 13475004 BGZDNABQVVRBEL-UXHICEINSA-N 357.881 4.161 0 1 FIAF CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3OC)c(=N)oc2c1 4058989 JSCXZPKHBWFCGE-UHFFFAOYSA-N 365.433 4.019 0 1 FIAF c1cncc(C2(c3cccnc3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1 26646589 ASTUUCYWCUWLKQ-RPWUZVMVSA-N 362.456 4.189 0 1 FIAF COc1cc(O)c(-c2[nH]ncc2-c2ccc3c(c2)OCO3)cc1C(C)C 28469478 DFTBXOMDPSHBEH-UHFFFAOYSA-N 352.390 4.310 0 1 FIAF COC(=O)[C@@H](C)[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 34801372 JABZAHXSNKLWRQ-CINBTIASSA-N 373.537 4.051 0 1 FIAF O=C(O)CCC/C=C/C[C@H]1CO[C@H](C(F)(F)F)O[C@@H]1c1ccccc1O 35635977 ZWAVGFSZMACJHA-CSNYUCSZSA-N 374.355 4.186 0 1 FIAF CCOc1ccccc1-c1nc(CN2CCC(N3CCCCC3)CC2)co1 72101455 RHLAZAHNSKKREU-UHFFFAOYSA-N 369.509 4.191 0 1 FIAF C[C@@H](Cn1ncc2c(NCc3cccc(F)c3)ncnc21)c1ccccc1 72124279 ZBIICZVBAPAQIA-HNNXBMFYSA-N 361.424 4.381 0 1 FIAF O=C(NO)Nc1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 96923823 NSNSTJSDKJKKOZ-ZHACJKMWSA-N 366.446 4.251 0 1 FIAF C[C@H](c1ccc(Cl)c(Cl)c1)N(C)c1ccc2nc(N)nc(N)c2c1 169344378 FFXSSASNVYXDEB-SECBINFHSA-N 362.264 4.298 0 1 FIAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCCc2ncsc21 220891900 AEOVLTONKPMGPS-NSHDSACASA-N 355.290 4.495 0 1 FIAF CC(C)[C@](C)(O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586885656 COTGKDGPYSZPKO-LBPRGKRZSA-N 351.166 4.208 0 1 FIAF O=C1O/C(=C/c2nc3ccc(F)c(Br)c3[nH]2)c2ccccc21 586906120 JNHMKGVAANQSJJ-KPKJPENVSA-N 359.154 4.133 0 1 FIAF C[C@@H](SCc1ccccc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586963231 YMGRWMQPKMLHLS-MRXNPFEDSA-N 366.534 4.309 0 1 FIAF N[C@@H](N=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052749 KZIXYALEMBXABW-KRWDZBQOSA-N 351.797 4.398 0 1 FIAF COc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cc1OC 587076240 RRPGNNXJBAEEJI-UHFFFAOYSA-N 368.824 4.395 0 1 FIAF CCCCCOc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Br 587123442 JTYSNPYDWUEUEM-LKFCYVNXSA-N 358.255 4.252 0 1 FIAF CCCCCOc1cc2nc([C@@H](N)[C@H](C)F)[nH]c2cc1Br 587123445 JTYSNPYDWUEUEM-XPTSAGLGSA-N 358.255 4.252 0 1 FIAF C[C@@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344502 GWFGQKNJMGUCCJ-IRLDBZIGSA-N 363.388 4.287 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587420328 FRXXLTDXDPWIIS-KXBFYZLASA-N 362.347 4.463 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1ccc(N)cc1)CC2=O 587468121 AYOHGTVVUXMJOU-QHCPKHFHSA-N 374.440 4.231 0 1 FIAF CN(C)CC[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587509575 ZQOWTDPAXOQKBS-QHCPKHFHSA-N 365.473 4.083 0 1 FIAF Cc1nn(-c2ccccc2)c(N)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514140 FTMWCEPFVKMTME-HXUWFJFHSA-N 373.456 4.348 0 1 FIAF C[C@]1(c2ncccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543972 CVTFUFUMADBVNH-UZLBHIALSA-N 367.788 4.318 0 1 FIAF CCn1cc(Cl)c(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)OC)n1 587629158 WRZBPPSLADCREZ-UHFFFAOYSA-N 356.184 4.284 0 1 FIAF COc1ccc(Cl)cc1NC(=O)c1c(C)[nH]c2c(C(=O)O)cccc12 587639139 WFSJEFIMEYKVPI-UHFFFAOYSA-N 358.781 4.089 0 1 FIAF CNc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587745943 XTSVDRVZGYYUDL-VOJFVSQTSA-N 363.274 4.428 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccoc3c2)N1 587778541 MINYOLUWMXHVQE-HUTHGQBESA-N 361.214 4.353 0 1 FIAF COc1ccc(-c2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)cc1O 587786643 MYISYXHTMJNWLP-UHFFFAOYSA-N 356.385 4.487 0 1 FIAF CCOC1=C(C)[C@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587800746 HQNYBBGZVBMRPV-BTDLBPIBSA-N 354.263 4.422 0 1 FIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC)c(OC)cc2[nH]1 587933943 AVSMTMLDCDSZIX-UHFFFAOYSA-N 350.418 4.161 0 1 FIAF O=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(c2cccc(F)c2)CC1 653782754 PKXWPMJYQXZVFS-UHFFFAOYSA-N 365.412 4.022 0 1 FIAF CN(C)C[C@H]1CCc2cc(-c3ccccc3)ccc2[C@]1(O)c1cccc(O)c1 653816958 FUTHCEYZNQCBKA-RDGATRHJSA-N 373.496 4.419 0 1 FIAF Cc1ccc([C@]2(c3ccsc3)NCCc3c2c(C(C)C)nn3C)cc1 962921956 UYJGASHYRUSHSW-OAQYLSRUSA-N 351.519 4.351 0 1 FIAF CC(C)Oc1ccc(Cl)cc1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962930373 XUCDMICNOOORLA-HXUWFJFHSA-N 372.896 4.064 0 1 FIAF CCOC(=O)C[C@]1(COc2ccc(C)cc2)NCCc2cc(Cl)ccc21 963389626 CRDCRAMZJXDHNH-OAQYLSRUSA-N 373.880 4.022 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cccnc1-c1ccsc1 963636645 RKSPPUWNCBFDQO-YEJXKQKISA-N 366.486 4.451 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2[C@H](C)C3=CC(=O)O[C@@H]3C[C@@H]2[C@]2(C)CCCC(C)(C)[C@H]12 2356335598 AXXGVIAGQXWYPN-KFRBFVFOSA-N 360.494 4.278 0 1 FIAF CCCC(=O)c1c(O)c(C=O)c(O)c2c1O[C@]1(C)C=C[C@H](C(C)C)C[C@@H]1C2 2356540315 TWCNVRBOBWVQSG-DJEJFTSGSA-N 372.461 4.435 0 1 FIAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@H]1[C@H]1CC=CCCC(=O)O1 2356668415 PAVKIXOXXHKTAR-YMQHIKHWSA-N 362.510 4.079 0 1 FIAF CCc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 13131739 WDUSFYWTQRYAEV-IAGOWNOFSA-N 353.857 4.222 0 3 FIAF aggregator CCCC[C@@H]1CCCO[C@@](C(=O)NCc2ccccn2)(C(F)(F)F)C1 13829011 JFDIDCJWZCDDIH-PBHICJAKSA-N 358.404 4.006 0 3 FIAF CCc1c(-c2ccc(OC)c(OC)c2)ncn1CCc1ccccc1OC 198627675 BAECVPIRVJPANS-UHFFFAOYSA-N 366.461 4.381 0 3 FIAF OCCc1cc(-c2ccccc2OCc2ccc(Br)cc2)no1 13536225 KSRJHOZSWOAYJW-UHFFFAOYSA-N 374.234 4.218 0 1 FIAF O=C(CN1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(O)cc13)c1ccccc1 32146720 RCYBMSQOSGJZLO-SSPYTLHUSA-N 361.485 4.334 0 1 FIAF CCOC(=O)c1cc(-c2cccc(OCc3cccc(F)c3F)c2)on1 45246085 YBIZZBNDQPTNRS-UHFFFAOYSA-N 359.328 4.376 0 1 FIAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cccc2c1 45496497 GZJQOCLBWDKNAD-UHFFFAOYSA-N 352.386 4.105 0 1 FIAF CC(C)CCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)O 68572309 RRYWRTAPRPBAAB-JSRAGOMMSA-N 364.441 4.184 0 1 FIAF biogenic CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)C(=O)CO3)CC1 84687565 DZUKNPGXPKVUNH-UHFFFAOYSA-N 374.481 4.101 0 1 FIAF CSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccnc1 103663496 NLZAIXJWSJNEHQ-CYBMUJFWSA-N 367.478 4.026 0 1 FIAF O=C(Cc1c(Cl)cc(Cl)cc1C1CC1)N[C@@H]1COc2ncccc21 146606286 AVLURPHODSTTMN-MRXNPFEDSA-N 363.244 4.058 0 1 FIAF COC(=O)C1=CCC[C@@H]2[C@@]1(C)CC[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O 238738584 PCYSFZDXGZBRMA-WWTSBNGPSA-N 358.434 4.200 0 1 FIAF C1=Nc2ncccc2OCCCOc2cccnc2N=Cc2ccccc21 253651106 KSJWLQWVLMJYOD-UHFFFAOYSA-N 358.401 4.139 0 1 FIAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2)C1 261129696 KWGIXLKUUUKGLB-JVFGBDHYSA-N 367.537 4.124 0 1 FIAF CN=c1[nH]c(C)c(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)s1 473127979 XJDCRPZQRKBMFZ-SFHVURJKSA-N 366.465 4.410 0 1 FIAF Nc1ccc(-c2ccc3[nH]c(-c4ccc5oc(=O)ccc5c4)nc3c2)cc1N 586919049 XTDBBZDDPBBBCW-UHFFFAOYSA-N 368.396 4.168 0 1 FIAF Clc1ncnc2[nH]c(COc3ccccc3C3SCCS3)nc12 587040329 HCXBSMVAIICUFF-UHFFFAOYSA-N 364.883 4.064 0 1 FIAF Oc1c(Br)ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587084983 WDSFIPGMENVHCK-UHFFFAOYSA-N 359.010 4.400 0 1 FIAF O=C1c2ccccc2-c2cc(Cn3nnc4ccccc43)nc3cccc1c23 587104802 JPXNFLCEOGPYPA-UHFFFAOYSA-N 362.392 4.239 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 587149459 HFUSTKORKWGWAO-NSHDSACASA-N 360.360 4.087 0 1 FIAF Fc1ccccc1-c1cccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587152722 DYSFYVKVFSRMRF-UHFFFAOYSA-N 356.364 4.012 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(F)c(F)c2[nH]1 587168168 UGPUKIIQGQZYBT-AWEZNQCLSA-N 360.339 4.349 0 1 FIAF Oc1ccc(Nc2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc1 587242845 VDMJMXGZQZQQEH-UHFFFAOYSA-N 371.322 4.440 0 1 FIAF CCCCCOc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1Br 587246851 QNKYEPRDYVBCCH-NWDGAFQWSA-N 366.303 4.489 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cn1)CC2=O 587458217 HVJCUZXFFGVTNR-INIZCTEOSA-N 362.223 4.209 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1Cl 587551749 JFBJUGRJCPIACL-QFBILLFUSA-N 353.761 4.144 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(O)ccc2F)N1 587722746 ZVLFLBKODBEJNS-XYZCENFISA-N 368.221 4.231 0 1 FIAF CCCn1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587764488 QFYVZJLTSSUESK-BMLIUANNSA-N 366.278 4.127 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccccc3n2)N1 587779562 UCQSYOHQWFUDCX-MGNBDDOMSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccncc23)N1 587801684 HTJDFOYKWHXKTG-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)C[C@@H](C)C2=O)N1 587817761 AVNKFLCEAZXBCZ-YRUZYCQGSA-N 368.290 4.343 0 1 FIAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587848951 QENLCRPLDPQQQX-AYVTZFPOSA-N 356.260 4.282 0 1 FIAF O=C(O)/C(=C\c1ccccc1O)c1nc(-c2ccc(F)c(F)c2)cs1 587922751 ZQBAFJLKTWCHJK-GHXNOFRVSA-N 359.353 4.419 0 1 FIAF CO[C@H](C)COC1CCC(c2nc3cc(Cl)c(Cl)nc3[nH]2)CC1 587952733 WHWAYQGWZHMGOT-KPPDAEKUSA-N 358.269 4.342 0 1 FIAF Cc1cccnc1-c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O 653682135 HXEZLTWOXMXCJJ-UHFFFAOYSA-N 360.413 4.061 0 1 FIAF Clc1cc(Cl)c2c(c1)[C@@H](c1cnc(N3CCCCC3)nc1)NCC2 963125280 TXSOWBVEUCMNMO-QGZVFWFLSA-N 363.292 4.009 0 1 FIAF CC(C)(NC(=O)c1cc2ccccc2n1CCCCCO)c1ccccc1 1857552705 KWGNXUTYQORRHH-UHFFFAOYSA-N 364.489 4.469 0 1 FIAF CC(C)[C@@]1(O)CC[C@@]2(C)C=C[C@@H](C)C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]21 2356508000 AFNSACJBBUAMGY-BVMWXJQXSA-N 358.478 4.317 0 1 FIAF COc1cc(-c2nnc3ccc(-c4cccc(OC(C)C)c4)cn23)ccn1 2382224739 PMINMTZBAZCEJK-UHFFFAOYSA-N 360.417 4.254 0 1 FIAF Cn1cc(-c2nn3c(C=O)c(-c4ccccc4)nc3s2)c2ccccc21 2382253444 DZEORFKLIJFPHV-UHFFFAOYSA-N 358.426 4.429 0 1 FIAF Cc1ccc(CN2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)cc1 12480283 XLHDISIHIXXBEP-IBGZPJMESA-N 373.456 4.101 0 3 FIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cccc(OC)c3)cc2)C[C@H]2CC[C@H]1N2C 100801654 YAWYTOJUXFKJAW-FVTFTPSCSA-N 365.473 4.102 0 1 FIAF CCN(C(=O)c1onc(-c2ccc(OC)cc2)c1[C@@H](C)O)C1CCCCC1 2356290404 RLLFYTBSOCUSMT-CQSZACIVSA-N 372.465 4.198 0 1 FIAF OCC(CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 102187002 GJFCEMOCWVYDKT-PRMBWFOZSA-N 364.570 4.405 0 1 FIAF CC(=O)OC[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100854089 BLJIZPWSKVXUMY-VDMKTJRGSA-N 366.288 4.423 0 1 FIAF C[C@]1(Oc2ccc(F)cc2)CCN(Cc2ccccc2OC(F)F)C1 61895856 HSWWEJDRBVBSQK-IBGZPJMESA-N 351.368 4.471 0 3 FIAF CC(=CCCC1=C[C@H](O)OC1=O)CCC=C(C)CCC[C@@H](C)C(=O)O 2356788871 CPMWPGTWVFIEII-SJLPKXTDSA-N 350.455 4.132 0 1 FIAF CCOC(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72100977 SZOPYPRIVNHWPE-IBGZPJMESA-N 373.884 4.035 0 1 FIAF Cc1cccc(-c2nc(NCC3CC3)ncc2C(=O)NCc2ccccc2)c1 82146590 XXAPLESGJFEIIH-UHFFFAOYSA-N 372.472 4.204 0 1 FIAF CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12 141825557 VWFKACUYWYZVSW-RLLPEYFOSA-N 352.474 4.035 0 1 FIAF NC(=O)c1ccccc1-c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144739621 ZEEQFWHRPDMMGY-FQEVSTJZSA-N 369.342 4.231 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccccc1Cl 587871414 WFZKCRCZCXUPRY-UHFFFAOYSA-N 373.815 4.494 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2ccccc2)N1 587814673 IATPDABOPVQPFC-BBATYDOGSA-N 362.242 4.221 0 1 FIAF Cc1c(Sc2cccc(OC(F)(F)F)c2)sc2nc(=N)[nH]c(N)c12 584905178 DAABFILHHVUIKM-UHFFFAOYSA-N 372.397 4.044 0 1 FIAF in-vitro C[C@@]1(Cc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573698 WTDCZPPGTQIVPW-UGKGYDQZSA-N 364.372 4.494 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(F)cc(F)c2[nH]1 587235224 HWAIWLYRRUGTRM-DGCLKSJQSA-N 351.397 4.392 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)ccc1F)O2 587381077 GEUGOTCLZIEMCR-KRWDZBQOSA-N 364.214 4.359 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ccccc3Cl)CC1)O2 587376553 DNYHQQINEWFHJA-UHFFFAOYSA-N 370.880 4.231 0 1 FIAF CCOC(=O)C[C@]1(CC2CCCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443519 VVOSAIGUSUGGRS-VGSWGCGISA-N 372.461 4.105 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CCCOC1 587865944 QDBKWJXRKWWWDX-CYBMUJFWSA-N 368.355 4.034 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@H](C)c1ccc(OC)c(OC)c1)CC2=O 587484081 WEHKCSUFVWRPEF-ZUOKHONESA-N 370.445 4.499 0 1 FIAF Cc1c(C(F)(F)F)n[nH]c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587507701 NRERYKIYYNDNED-CQSZACIVSA-N 350.340 4.322 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(F)cc2F)N1 587727294 NMGXEIATKGOQES-VPTHRUTESA-N 371.200 4.059 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1nc4ccccc4n1C(F)F)[C@@H](C2)C3=O 587418726 ANCYFEVIYJIIDF-YUNKPMOVSA-N 370.355 4.103 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C2CCC2)N1 587815572 NUFKJNITYWMRRK-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF CN(C)CCOc1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587150700 DUMJOSSSQFKAQM-HUUCEWRRSA-N 357.404 4.053 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(F)c(F)c2[nH]1)C(C)(C)C 587203321 FJROADXMHVYIPU-LBPRGKRZSA-N 353.413 4.323 0 1 FIAF CC(C)[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589471 WXJGSAJCZDBRII-DENIHFKCSA-N 361.397 4.300 0 1 FIAF CC(C)c1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587776569 YAJDFJKUFUKTHU-QLJPJBMISA-N 364.262 4.125 0 1 FIAF Cc1[nH]c2c(C)cccc2c1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963238342 YLRVHJWMQSNQLO-UGKGYDQZSA-N 371.440 4.021 0 1 FIAF CC/C=C\CO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O 13642016 FHQCBTSYENFAFR-CHYADLBTSA-N 364.854 4.239 0 1 FIAF CCCOC(=O)c1c(-c2ccccc2)nc(CC)c2c1CCSC2=O 13794229 NJPFUDJNLIHKEL-UHFFFAOYSA-N 355.459 4.307 0 1 FIAF CCc1ccc(N(CC)C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)cc1 201583 PHTCECIILZXTFG-UHFFFAOYSA-N 350.418 4.024 0 1 FIAF O=c1cc(-c2ccccc2)oc(O)c1SCc1ccc2c(c1)OCCO2 6582500 GGCDFMJEDCGRMB-UHFFFAOYSA-N 368.410 4.076 0 1 FIAF COc1c2c(c(COC(=O)C=C(C)C)c3c(C)coc13)[C@H](C)[C@H](O)C=C2 13300584 KRTZWKXGTALWRE-CZUORRHYSA-N 356.418 4.250 0 1 FIAF biogenic CCCN1CCC(COc2nc3ccccc3c3c2CCCCN3)CC1 13492893 LAPHUQGTVFSIGC-UHFFFAOYSA-N 353.510 4.484 0 1 FIAF CC[C@@H](C)c1cc(-c2[nH]ncc2-c2ccc3c(c2)OCO3)c(O)cc1O 28461985 OHOJLMASLIOMNZ-LLVKDONJSA-N 352.390 4.397 0 1 FIAF COc1ccc(/C(F)=C(\F)c2cc(OC)c(OC)c(OC)c2)cc1N 38357550 AAMPMHWXIKGSBP-WUKNDPDISA-N 351.349 4.068 0 1 FIAF CN(Cc1ccccc1)C1CCN(CCc2c[nH]c3ccc(F)cc23)CC1 45322423 FBWMAFGLUIKSHM-UHFFFAOYSA-N 365.496 4.446 0 1 FIAF Cc1ccc(C(/C=C/c2c[nH]c3ccccc23)=C2/C(=O)NC(=O)N=C2O)cc1 64564552 OHRPQZDTEROXRV-ZHACJKMWSA-N 371.396 4.150 0 1 FIAF CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2)c(-c2ccccc2)n1 82133257 WKIGPXCGJSWXLN-UHFFFAOYSA-N 374.488 4.166 0 1 FIAF CCCCC[C@@H]1C[C@]2(C[C@H]1CO)C[C@@H]1[C@H]2[C@@H](O)C[C@]2(C)CCC[C@@]1(O)C2 85547591 XVHRUBGFWRGWRV-TZXQKUFUSA-N 364.570 4.284 0 1 FIAF biogenic,in-vitro CCCCCc1c(O)c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc12 85633037 BXTVIRFYBZTZHC-UHFFFAOYSA-N 370.401 4.318 0 1 FIAF biogenic,in-vitro CCCCC[C@@H](O)/C=C/[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101197686 IWSCITFBDCQRGG-ZESXDWFFSA-N 350.499 4.479 0 1 FIAF O=Nc1c([C@H]2C(=O)Nc3c(Br)cccc32)[nH]c2ccccc12 169720185 GMRAFJUVKHMGPN-LBPRGKRZSA-N 356.179 4.412 0 1 FIAF COc1ccc2c(c1)[C@H](OS(=O)(=O)O)C[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@@H]12 263637755 PFJCFTUPAUBLFO-QWXYKEQDSA-N 366.479 4.259 0 1 FIAF Cc1c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905554 TZVNPVGGUFFPKS-GFCCVEGCSA-N 352.312 4.400 0 1 FIAF CC(C)Oc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587008838 YYPUREWHLCMHKO-UHFFFAOYSA-N 371.238 4.427 0 1 FIAF N=c1[nH]ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587015842 UVCMGGQQEUNTJA-UHFFFAOYSA-N 362.245 4.468 0 1 FIAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587050496 OMYKWHBIIFOTLZ-UHFFFAOYSA-N 354.719 4.256 0 1 FIAF Cc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cnn1-c1ccc(Cl)cc1 587075588 JBJOYVOXHUOZML-UHFFFAOYSA-N 366.808 4.149 0 1 FIAF C[C@H]1CC2=C(CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)NC1=O 587105596 AKPRBMKUAYRODD-LBPRGKRZSA-N 366.420 4.260 0 1 FIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(F)c4[nH]3)cc2N1 587126146 WAARWPDLMHMCBL-KSBSHMNSSA-N 357.286 4.012 0 1 FIAF Clc1cc(N2CCOCC2)ccc1-c1cc2c3c(cccc3n1)CC2 587208987 DLQNIBXBVQXLBU-UHFFFAOYSA-N 350.849 4.490 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cnccc32)[C@H]1c1ccc(F)cc1 587344868 HNGWKVAQSOUWCM-RBBKRZOGSA-N 361.372 4.127 0 1 FIAF CC[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357997 PHGUEOQLRLAETN-IFMALSPDSA-N 370.420 4.466 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)cc1C(F)(F)F)[C@@H](C2)C3=O 587418909 FAPPEPBFPODMOP-SCLBCKFNSA-N 364.319 4.211 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CC[C@H](c4ccccc4)C[C@@H]1OC)[C@@H](C2)C3=O 587441483 GZMCBQWZJKZHJV-SBNKCGQISA-N 364.441 4.164 0 1 FIAF CCOC(=O)[C@@H]1C[C@@H](C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525048 PGKGDZWRAHBBFH-VELBRHGASA-N 356.462 4.269 0 1 FIAF Cc1nccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587586380 BWCUBVYYAUUHBN-UGKGYDQZSA-N 372.380 4.280 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2c(s1)CCC2 587618632 OYSLGJAVZOMJJX-VQIMIIECSA-N 365.410 4.040 0 1 FIAF O=C(Cc1cccs1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660434 FMPPJQLLJPRVBW-UHFFFAOYSA-N 364.401 4.147 0 1 FIAF CCC[C@@]1(C2CCNCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799437 XCKVURBCCPANIF-XIKOKIGWSA-N 369.322 4.117 0 1 FIAF CC(C)C(=O)CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812608 JQGDPCLVHWNKIM-APPDUMDISA-N 356.279 4.343 0 1 FIAF CCC[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587818946 SYEHSCQYRZUSMZ-SEDUGSJDSA-N 368.290 4.487 0 1 FIAF COc1cccc([C@H](C)Cc2nc3cc(Br)c(C)nc3[nH]2)c1 587931090 LYVPOFQYSIIUOR-SNVBAGLBSA-N 360.255 4.384 0 1 FIAF COc1cc2c(cc1OC)[C@H]1C(=O)c3cc4ccoc4cc3O[C@@H]1CC2 2356573881 DDBGUFDZUZVINK-FOIQADDNSA-N 350.370 4.124 0 1 FIAF COC(=O)CC[C@@]12[C@H]3[C@@H]4CC[C@@]1(C)[C@H]1CC[C@@]5(CCC[C@@H]25)[C@H]1N3C[C@@H]4C 2356862345 UZKATYCSEUEWKQ-GJTQDZCZSA-N 357.538 4.255 0 1 FIAF CCCc1nc(-c2ccc(-c3ccc(CC[C@@H](N)CO)cc3)cc2)co1 2382250860 AJEYFHDAAGUKSB-HXUWFJFHSA-N 350.462 4.213 0 1 FIAF CC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCC2CCCCC2)[nH]n1 61904819 WHYVWPAHSIAHRF-UHFFFAOYSA-N 359.445 4.313 0 3 FIAF COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C 61921183 RLLBOELLJDZAIN-GHTZIAJQSA-N 363.457 4.059 0 3 FIAF CC1(C)C[C@]2(C[C@@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)NC(=O)N1 4671252 CUNYRZOIZZZCMK-VBKZILBWSA-N 372.852 4.138 0 1 FIAF CC[C@H](C)NC(=O)[C@H]1CCCN(Cc2nc(-c3ccccc3C)oc2C)C1 5044284 OTQIQDQSYDVSQM-WMZOPIPTSA-N 369.509 4.085 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2ccccc2[nH]1 5635563 OIZNUMVMPILMFY-UHFFFAOYSA-N 356.360 4.068 0 1 FIAF Nc1cccc(-c2ccc(OC[C@H]3CC4CCN3CC4)c3ccccc23)n1 13559830 LVAYROCXCGELAH-QGZVFWFLSA-N 359.473 4.347 0 1 FIAF COc1ccc(C(=O)c2c(C)n(CCN3CCCC3)c3ccccc23)cc1 13742519 GBWWXVUYSLPVNV-UHFFFAOYSA-N 362.473 4.285 0 1 FIAF O=C(c1ccc(NCCn2cncn2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 64559673 GYOLLZWNPZHCEI-OALUTQOASA-N 366.852 4.030 0 1 FIAF O=S(=O)(Nc1ccc2[nH]c3ccncc3c2c1)c1ccc(Cl)cc1 64560247 AXCLOPRMONJQTF-UHFFFAOYSA-N 357.822 4.170 0 1 FIAF O=c1c2cccc(Cl)c2[nH]c(=S)n1-c1ccccc1Br 82156196 YRCIWNIXJIRLCR-UHFFFAOYSA-N 367.655 4.464 0 1 FIAF COc1ccc(Nc2nnc(-c3c[nH]c4ccc(OC)cc34)s2)cc1 84670656 BIDRHOQKOJWZOY-UHFFFAOYSA-N 352.419 4.447 0 1 FIAF CC(=O)O[C@@H]1[C@H](OC(=O)C=C(C)C)C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C 85767230 BFTOORVCRFGUHC-FWKDESDWSA-N 374.477 4.159 0 1 FIAF biogenic O=C1[C@H]([C@H](O)c2ccccc2C(F)(F)F)CCCN1Cc1ccccc1 103282498 RXBYDWNULXSQJL-FUHWJXTLSA-N 363.379 4.178 0 1 FIAF CCOc1cc2nnnc(Nc3cccc(C(F)(F)F)c3)c2cc1OC 103295865 PEQQIQRUSTYEQC-UHFFFAOYSA-N 364.327 4.195 0 1 FIAF CC1=C[C@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@H](c3ccccc3O)[C@H]1[C@@H]2C 106828977 DWTIHMGOTJWGAI-VEZIVQCBSA-N 373.493 4.433 0 1 FIAF biogenic Oc1nc(O)c(Cc2ccccn2)c([C@H]2CC[C@@H](c3ccccc3)CC2)n1 254133720 YNQFDXCTDZXURX-CALCHBBNSA-N 361.445 4.315 0 1 FIAF O=c1cc(CO)oc([C@@H](c2ccccc2)c2csc3ccccc23)c1O 299827585 GMYCMKFIYVLZDY-IBGZPJMESA-N 364.422 4.233 0 1 FIAF CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccccc2F)n1 299887596 ZDLYSLXAVUEXRN-KDOFPFPSSA-N 370.472 4.047 0 1 FIAF CCc1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587044083 YTDDGHXNVXQCQD-MRXNPFEDSA-N 357.866 4.434 0 1 FIAF O=C(O)c1cc(Br)cc2nc(-c3ccc(O)cc3Cl)[nH]c12 587054794 LVKZFCIQXXNQBG-UHFFFAOYSA-N 367.586 4.050 0 1 FIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(F)cc(Br)c2[nH]1 587088605 PVPAXEYYHNIPEH-QMMMGPOBSA-N 360.177 4.214 0 1 FIAF Nc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1N 587129275 VZVSERGLHUDYCQ-UHFFFAOYSA-N 357.389 4.455 0 1 FIAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ncc[nH]c-3n2)c(Cl)c1 587158634 IHRKHCDSFUTEKS-HNNXBMFYSA-N 354.772 4.265 0 1 FIAF Cc1ccc(CCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1N 587251039 XBESGDFTLJFKAK-UHFFFAOYSA-N 365.662 4.050 0 1 FIAF C[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCCO1 587357630 UVIFULRAKXDEDA-HMXCVIKNSA-N 356.393 4.218 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCCN4C(C)C)[C@@H](C2)C3=O 587444419 OPHULEDCVBSBJZ-MBSDFSHPSA-N 363.457 4.345 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCC(=O)Nc3ccc(F)cc31)CC2=O 587472398 PQUMOESKBCIUMH-NRFANRHFSA-N 369.392 4.077 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1ccccn1)CC2=O 587488121 HMJGFBFCERLDGE-QFIPXVFZSA-N 360.413 4.044 0 1 FIAF O=C1C[C@@](c2ccncc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587515110 LAXVFINKAMHGSE-HSZRJFAPSA-N 356.425 4.264 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ocnc3c2)N1 587779254 XALBVYIOFWCXAL-HUTHGQBESA-N 361.214 4.353 0 1 FIAF COc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)c(OC)c1C 587786958 IAJKWKJECNQSED-UHFFFAOYSA-N 365.202 4.457 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C)NC(C)(C)C2)N1 587796616 QKATXSIWTWVOFI-LLVKDONJSA-N 369.322 4.258 0 1 FIAF CCc1noc(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798772 WBFJNCLNROEPIU-XYZCENFISA-N 367.262 4.245 0 1 FIAF CC(C)c1nn(C)c2c1[C@@H](c1c(Cl)c(C=O)cc3ccccc13)NCC2 962915910 WBBRGPJNZRNDMA-OAQYLSRUSA-N 367.880 4.398 0 1 FIAF Cn1nc2ccccc2c1[C@H]1c2ccsc2CCN1Cc1cccnc1 962996261 IAOCMOUYSSRHNI-OAQYLSRUSA-N 360.486 4.178 0 1 FIAF COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3n2CCOCC3)cc1C 1772573024 MFOIULKWCSQMSG-UHFFFAOYSA-N 363.461 4.119 0 1 FIAF COc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1772575478 ZVYQHTLZPHDKMQ-RTWAWAEBSA-N 363.388 4.370 0 1 FIAF CC1=C[C@]2(C=C(C)[C@@H]3CC[C@]4(C)Oc5cc(C)c(O)cc5[C@@H]2[C@H]34)OC1=O 2356801744 RRPHRPAMBSVQRA-XSZZKUPPSA-N 352.430 4.163 0 1 FIAF CC[C@@]12C=C(C(=O)NC(C)C)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 2382221589 JKZSMTICNITOIO-GGAORHGYSA-N 363.505 4.110 0 1 FIAF CC(=O)c1ccc(Nc2nc([C@@H](N)COCc3ccccc3)cs2)cc1 61908820 ZNZQFFJSFHZZSV-SFHVURJKSA-N 367.474 4.306 0 3 FIAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCC(C)C)cc1 774460 KFQVOJGSKXPRTF-UHFFFAOYSA-N 356.447 4.465 0 1 FIAF C[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O 2965496 KMPYTGLDLSNNGZ-LLVKDONJSA-N 355.850 4.252 0 1 FIAF O=C(NCCc1ccc(Cl)cc1)c1coc2nc3ccccc3nc12 3029223 IURXHQQNTBEYDV-UHFFFAOYSA-N 351.793 4.002 0 1 FIAF CC1(C)CC2=Nc3nc(S)nc(O)c3[C@H](c3ccccc3)C2=C(O)C1 100640710 JKEIZUIFYTZPDD-CYBMUJFWSA-N 353.447 4.321 0 1 FIAF CC1(C)[C@@H]2CC(CNC(=S)Nc3ccc(Br)cn3)C[C@H]1C2 26644003 PHCFTTNUVYLQSX-YOGCLGLASA-N 368.344 4.203 0 1 FIAF CCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21 28466183 ATLFSHJVPOVNMP-UHFFFAOYSA-N 361.489 4.140 0 1 FIAF CN(C)c1ccc([C@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 28978534 JOPUNRLKCLQDOT-SFHVURJKSA-N 363.244 4.152 0 1 FIAF CN(C)CCNC(=O)c1cccc2ccc(-c3ccc4ccccc4c3)nc12 27317473 NBVCMRCUQGLNDY-UHFFFAOYSA-N 369.468 4.346 0 1 FIAF CCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@H]2c1ccc(CC)o1 65488975 HKVRTPXWRZTKSI-CQSZACIVSA-N 356.422 4.063 0 1 FIAF CC(C)(C)CCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1 66058768 RDLWAHGUMRAINK-UHFFFAOYSA-N 365.521 4.396 0 1 FIAF Cc1sc(-n2cccc2CNCCc2cccs2)c(C(=O)O)c1C 21935433 VXFZBLKSTDIPQB-UHFFFAOYSA-N 360.504 4.248 0 1 FIAF Clc1ccccc1OC1CCN(c2ccc(-c3cccnc3)nn2)CC1 28655450 QPEWVCULAWVFEU-UHFFFAOYSA-N 366.852 4.240 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@H]2CC(CCCCC(=O)O)=C[C@@H]2C[C@H]1O 33953870 JANVYOZZTKSZGN-DEZFARMNSA-N 350.499 4.072 0 1 FIAF CC(=O)N[C@@H](CC(=O)c1ccc(Br)cc1)c1ccc(C)cc1 40845709 HCWIYZROISICBW-KRWDZBQOSA-N 360.251 4.208 0 1 FIAF O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1 49785912 BVVYFGNETCYNNY-UHFFFAOYSA-N 356.297 4.111 0 1 FIAF O=c1oc2cc(O)ccc2c(C(F)(F)F)c1CSc1ccccn1 45336695 PLZKAFGORXTHTA-UHFFFAOYSA-N 353.321 4.205 0 1 FIAF CO[C@H]1CC=C(c2coc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)CC1 238763571 NXKSQMHYSCKYIQ-ZDUSSCGKSA-N 354.402 4.265 0 1 FIAF CC1=NC(=S)N[C@@H](c2cccc(Br)c2)/C1=C(/O)OC(C)C 621474199 LUIPKEMJZVTPOI-BSHRGCEOSA-N 369.284 4.034 0 1 FIAF COc1cccc(CNc2cc(=O)n3c(-c4ccccc4)csc3n2)c1 621431222 JTJLUTFQLMWUIO-UHFFFAOYSA-N 363.442 4.044 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ncsc1CC3 586994330 YHBVTLPSVHSGMS-UHFFFAOYSA-N 356.406 4.374 0 1 FIAF COc1c(F)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F 587134841 OOPCJBHFZLVSFE-UHFFFAOYSA-N 374.572 4.328 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(Oc4cncc(C)n4)c1)[C@@H](C2)C3=O 587434891 BREQWBKQAATYQI-HTAPYJJXSA-N 374.396 4.075 0 1 FIAF CCCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587439451 AUWANDMLKMNEEX-OPAMFIHVSA-N 368.429 4.371 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cccnc4)cc1)[C@@H](C2)C3=O 587434942 ALLRZKNIAJSRKS-WMZHIEFXSA-N 373.408 4.158 0 1 FIAF C[C@H](Sc1ncccn1)c1nc2cc(Br)cc(F)c2[nH]1 586963202 YBKJQQLPYVOTSE-ZETCQYMHSA-N 353.220 4.108 0 1 FIAF Cc1nc2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2cc1Br 587069245 DKZNWPKNUFTYJE-UHFFFAOYSA-N 364.630 4.108 0 1 FIAF COc1ccc(-c2ccc(-c3nc4cc(C(=N)N)ccc4[nH]3)cc2)cc1OC 587928282 ASTMSNXBFCILGO-UHFFFAOYSA-N 372.428 4.198 0 1 FIAF O[C@H](c1nc2cc(Br)cc(F)c2[nH]1)c1ccccc1Cl 587060045 ZHWHEMRHFJHACW-ZDUSSCGKSA-N 355.594 4.200 0 1 FIAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nc1 586988366 QDWZUKCJCQTFPP-UHFFFAOYSA-N 354.365 4.222 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2ccc(C)c(C)c2[nH]1)C(F)(F)F 587093591 VKHIMULCZRSVNJ-GOSISDBHSA-N 363.383 4.343 0 1 FIAF CCO[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587812497 QWOLQYUQEFQKFY-JDSLSITLSA-N 356.279 4.297 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc2cnccc12 587589222 WJJUKSNGAOPPOS-KNQAVFIVSA-N 370.364 4.038 0 1 FIAF CCOC(=O)C[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533946 ZSNNDBHYQLEVNR-NRFANRHFSA-N 370.470 4.441 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1scnc12 587616035 ATLSGPZKPKLISR-UZLBHIALSA-N 365.410 4.042 0 1 FIAF CC(=O)CC[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599193 DEMFERRJQHUHRA-WIYYLYMNSA-N 354.402 4.118 0 1 FIAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc1C 587619279 WTYJBBLZQOZNSG-RXVVDRJESA-N 350.370 4.479 0 1 FIAF Cc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br 587162743 DAJLQHGKXJLWHA-INIZCTEOSA-N 362.246 4.424 0 1 FIAF CCCCNC[C@@]1(c2ccc(O)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963101888 MJSAQVYQXMISGE-WMZHIEFXSA-N 368.496 4.185 0 1 FIAF COC(=O)Cc1ccccc1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962659093 FMHOTUHPLMEBRJ-DEOSSOPVSA-N 357.453 4.304 0 1 FIAF COc1cc2c(cc1OC)[C@]1(CCCc3cc(C)ccc31)N(C)[C@@H](C)C2 962620999 ATRDUYSQXVSXNV-QMHKHESXSA-N 351.490 4.469 0 1 FIAF COc1ccc([C@]2(Cc3ccc(F)cc3)NCCc3c(C)ccnc32)cc1 963070925 HZGMEXBXIHNVDK-QHCPKHFHSA-N 362.448 4.170 0 1 FIAF O=C(O)c1ccc(-c2ccc([C@H]3NCCc4ccc(O)cc43)cc2)cc1F 963354643 XNPOISWUBWDMLS-OAQYLSRUSA-N 363.388 4.132 0 1 FIAF Cc1sc2c(c1C)CCN[C@@]21C2CCN(CC2)[C@H]1Cc1ccccc1F 963011367 PLXJQJCVADCREC-RBBKRZOGSA-N 370.537 4.182 0 1 FIAF O=C(Nc1cc2cccnc2cc1N1CCCCC1)c1cnn2ccccc12 1772593695 ZDXFUOXCTQMSTQ-UHFFFAOYSA-N 371.444 4.125 0 1 FIAF CC(C)=CCC/C(=C\CC[C@@H](CCC/C(C)=C/CO)C(=O)O)C(=O)O 14654925 UAVZQXWDYAGFFJ-RMEZYJCPSA-N 352.471 4.334 0 1 FIAF Fc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1 3443790 NQWDNKCLSUAXEH-UHFFFAOYSA-N 360.395 4.280 0 3 FIAF Cc1ccc(CN(C)CCCCN2C(=O)CCc3ccccc32)c(C)c1 1857588871 XSXHPHKBHYXVMP-UHFFFAOYSA-N 350.506 4.495 0 1 FIAF CCOC(=O)c1ccc2nc(/C=C/C=C/c3ccc(O)c(OC)c3)oc2c1 27216187 ZGPOUJXMGXSIGA-YDFGWWAZSA-N 365.385 4.445 0 1 FIAF CN1CCN(c2nc(-c3ccccc3)cc(-c3c[nH]c4ccccc34)n2)CC1 28468780 FISODBYOZVLVIT-UHFFFAOYSA-N 369.472 4.044 0 1 FIAF CCCCN1N=C2/C(=C/c3cccnc3)CSC[C@@H]2[C@@H]1c1cccnc1 29245247 WOTJSQHJCFYICK-RQGXWYPQSA-N 364.518 4.436 0 1 FIAF COc1cc2c(cc1O)O[C@@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@H]21 43063174 SVGUEYZRBQMTPO-QVKFZJNVSA-N 354.402 4.225 0 1 FIAF biogenic CC(C)Cc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 72111017 KPIBTYOXTSLBPM-UHFFFAOYSA-N 367.399 4.403 0 1 FIAF c1ccc([C@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2cnnn2)cc1 89469072 KSUVCDUWHNGSDW-HXUWFJFHSA-N 368.400 4.196 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@H]2CO[C@@H](C2)[C@@H]1C/C=C/CCCC(=O)O 100569678 DJKDIKIDYDXHDD-QKVZHTLHSA-N 350.499 4.336 0 1 FIAF FC(F)(F)c1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1 113132695 NOFYKQCGBPESGK-UHFFFAOYSA-N 362.355 4.006 0 1 FIAF COC(=O)c1ccc(OCc2c(-c3cccc(Cl)c3)noc2C)nc1 142547896 PADZHIZSLDIVML-UHFFFAOYSA-N 358.781 4.064 0 1 FIAF C[C@@]1(c2cccc(Nc3cccc4oc(C5CC5)nc34)c2)COCC(N)=N1 143086939 QPTMIQYCEQIDKW-NRFANRHFSA-N 362.433 4.051 0 1 FIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCCN(C(C)=O)C3)cc12 226063182 IGVXVVPZCZQIAY-CQSZACIVSA-N 367.424 4.104 0 1 FIAF O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCC[C@@H]3[C@H]2C(=O)N1c1ccccc1 263602488 MJDPELULEMYNCS-ITKAJJHTSA-N 356.425 4.338 0 1 FIAF O=C1CCc2cc3nc(-c4cccc(-c5ccccc5)c4O)[nH]c3cc2N1 586897274 YAUYRLFGAPASRP-UHFFFAOYSA-N 355.397 4.487 0 1 FIAF CC(=O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979890 XSHKGSXPUZUWEQ-UHFFFAOYSA-N 350.603 4.243 0 1 FIAF COC(=O)c1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029657 SOFODCJBRCCDHN-UHFFFAOYSA-N 365.414 4.052 0 1 FIAF COc1cccc(-c2ccc(-c3nc4cc[nH]c(=N)c4[nH]3)c(Cl)c2)c1 587051185 ABOPKZUCJKNRAV-UHFFFAOYSA-N 350.809 4.366 0 1 FIAF O=C(O)c1cc(F)cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587061259 SVQYCTLFMMACRT-UHFFFAOYSA-N 357.728 4.376 0 1 FIAF Oc1nc(S)nc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 587063373 UJKFBNCHTVJUJX-UHFFFAOYSA-N 368.849 4.258 0 1 FIAF O=C(O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587084747 GFDBMSQPARJWQF-UHFFFAOYSA-N 350.765 4.039 0 1 FIAF COc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1F 587115771 AOCZRSKSZVXHSG-UHFFFAOYSA-N 362.286 4.340 0 1 FIAF O=C(OCc1ccccc1)N1CCc2nc3cccc4c3c(c2CC1)CC4 587213226 UPBBUAKFNSIEHU-UHFFFAOYSA-N 358.441 4.071 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3ccc(Br)cc31)O2 587371252 JSOCBZPCCYAHRV-SFHVURJKSA-N 372.218 4.107 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCCOC)c1)CC2=O 587478359 FTKOYYZQASFOIT-NRFANRHFSA-N 370.445 4.467 0 1 FIAF Cc1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(S)n1 587532860 PJRLAMFNHLAGRL-FQEVSTJZSA-N 354.475 4.142 0 1 FIAF CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597639 RCYDJKSBFVJHFH-DENIHFKCSA-N 362.381 4.494 0 1 FIAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(F)(F)F)cc1 587648893 CERCWQDPQHQXLK-UHFFFAOYSA-N 369.364 4.266 0 1 FIAF CCCn1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587757988 WMRAQARTTVXQMB-APPDUMDISA-N 351.263 4.423 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncn(C)c3c2)N1 587759490 UGEGGXZIYGXGBV-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF Cc1cccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc12 587771730 CMUQASKPQAYGKW-DIFFPNOSSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncoc3c2)N1 587777857 DEVHHBFTUHSTEK-XYZCENFISA-N 361.214 4.353 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)s2)N1 587844839 BYHBVGMSFOGUJC-FVMDXXJSSA-N 369.303 4.339 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(F)cc(F)n1 587862229 IRXCGXZWJJLUJA-UHFFFAOYSA-N 355.266 4.240 0 1 FIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)cc(OC)c2[nH]1 587926594 JMDGNNMJQOBTPQ-AWEZNQCLSA-N 356.422 4.139 0 1 FIAF CC/C(=C\c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)c1ccc(C)cc1 587968035 RYEULKFIVDULHF-FYWRMAATSA-N 369.490 4.072 0 1 FIAF Cc1c(F)ccc2c1[C@H](c1nn(C)c3ccc(Br)cc13)NCC2 962142100 FJNUTCYYQUORIA-GOSISDBHSA-N 374.257 4.018 0 1 FIAF CC(C)c1nn(C)c2c1[C@H](c1ccc(OC(F)(F)F)cc1Cl)NCC2 962921960 VAJWTZUJZKSKAY-INIZCTEOSA-N 373.806 4.331 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(N(C)C)ccnc2Cl)N1 962963880 XGLMJXXEQSHTSA-BUXKBTBVSA-N 354.885 4.296 0 1 FIAF CCCCC[C@]1(CCCC(=O)O)NCCc2cnc3c(OC)cccc3c21 963054588 IICAULSALGRBDG-JOCHJYFZSA-N 370.493 4.420 0 1 FIAF CC(C)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ncc(-c2ccccc2)[nH]1 1772642394 DPSDEVNJYVFLOG-NRFANRHFSA-N 373.456 4.366 0 1 FIAF COC(=O)C1(C(=O)OC)CCC[C@@]2(C)c3cc4occc4c(C)c3CC[C@H]12 2356454344 INTWVMASYRXTLY-RXVVDRJESA-N 370.445 4.078 0 1 FIAF COc1cc(C[C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)ccc1O 2356638524 HXXQPTLVFPWDAK-WHRJUNERSA-N 356.418 4.084 0 1 FIAF COc1cccc(NC(=O)[C@]2(C)CCN2Cc2ccc(OC(C)C)cc2)c1 61895572 QUFCVSUVJITZNM-QFIPXVFZSA-N 368.477 4.086 0 3 FIAF COc1ccc(C(=O)N[C@@H](C)c2cc3c(cc2Cl)OCCCO3)cc1 668083 NGEZKANXMMETIV-LBPRGKRZSA-N 361.825 4.001 0 1 FIAF CCCN(CC1CC1)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 2500179 SNANNFFPPZMLAW-UHFFFAOYSA-N 366.440 4.087 0 1 FIAF CN(CC[C@@H](Cc1ccc(C(F)(F)F)cc1)c1ccccc1)CC(=O)O 26168955 WQENIDXTBDSAHR-KRWDZBQOSA-N 365.395 4.438 0 1 FIAF in-vitro Cc1cc(CN2CCC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1 29042729 YMHZFVXMJBMNAT-UHFFFAOYSA-N 372.472 4.097 0 1 FIAF CC(C)(C)c1cc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(C(C)(C)C)c1 64513874 YLLRVWDINXMUMJ-OWSLCNJRSA-N 373.493 4.098 0 1 FIAF O[C@H](c1cc(F)c(F)c(F)c1)c1nnc(Nc2cccc(Cl)c2)s1 82078074 RHOKIDWMXXCGKM-CYBMUJFWSA-N 371.771 4.434 0 1 FIAF Cc1cnc(N2CCC[C@H]2C)nc1NCc1cccc(C(F)(F)F)c1 82202728 CIPCFVZQLLUVBW-CYBMUJFWSA-N 350.388 4.405 0 1 FIAF CCCCC/C=C\C[C@H](O)/C=C/[C@@H](O)[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 85641185 USJVWURFAMIZKS-HKDAFQJOSA-N 364.526 4.303 0 1 FIAF CC[C@H](C)C(=O)c1c(O)cc(O)c2c1O[C@](C)(CCC=C(C)C)[C@@H](O)C2 95575467 OOUQAKUAWXZBEN-IBNJYYFUSA-N 362.466 4.128 0 1 FIAF biogenic Cc1c[nH]c2ncc(-c3cc([C@H]4CCOC4)n(C4CC(F)(F)C4)n3)cc12 146408476 XVGWBGGKZXZSDF-LBPRGKRZSA-N 358.392 4.209 0 1 FIAF O=C(N[C@H]1CCC[C@H](NCc2c[nH]c3ccccc23)C1)c1ccc(F)cc1 169350910 RJEOWQOMOYEZIE-OALUTQOASA-N 365.452 4.138 0 1 FIAF Cc1nc(C2CC2)sc1-c1nc2ccc(Br)c(O)c2[nH]1 587013205 ZAWWTACLGAVDBL-UHFFFAOYSA-N 350.241 4.340 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 587167424 MYTIPEDOKPMAEL-OAHLLOKOSA-N 360.339 4.349 0 1 FIAF CC(C)(C)[C@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587257823 OUCYLTMFMHLVGE-SNVBAGLBSA-N 350.182 4.390 0 1 FIAF CCn1nccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343689 USNVWFGCOPBYOQ-PZJWPPBQSA-N 366.392 4.022 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccccn4)o1)[C@@H](C2)C3=O 587454330 YEMQSUFAJGTNLZ-RNODOKPDSA-N 365.410 4.323 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3noc(C)n3)c1)CC2=O 587482852 KVQYOYXULMJKPS-IBGZPJMESA-N 364.401 4.410 0 1 FIAF CCOCCCN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)C1 587517340 LFUDRWORVYRLKL-GAJHUEQPSA-N 371.521 4.038 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(F)c1 587556637 YORQGGSPVURMAW-XLIONFOSSA-N 354.308 4.373 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2F)N1 587717985 LXNAYHZFHBRQTH-ZKANADHPSA-N 354.194 4.057 0 1 FIAF Cc1ccn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc2c1 587772201 DWWTVCGPUYZJRP-VOJFVSQTSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3cccnc3c2)N1 587779636 VBYXYFPFQNLZIC-XTZNXHDOSA-N 372.241 4.155 0 1 FIAF COc1cccc(-c2cccc(-n3c(OC)cc(C(C)=O)c3OC)c2)c1 587926064 KCGFHFQVJUZEOF-UHFFFAOYSA-N 351.402 4.373 0 1 FIAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccc(F)cc1F 653694189 ITZYRCTXOVUZDU-UHFFFAOYSA-N 352.340 4.303 0 1 FIAF CO/C=C(\C=C\c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1 1772573488 NVLCPIXOCZEXLE-YNYATCQHSA-N 372.417 4.127 0 1 FIAF Cc1cc(Cn2nc(C)c(CC(=O)O)c2C)ccc1-c1nc2ccccc2[nH]1 1772595612 DMJRYMQSYVPHIL-UHFFFAOYSA-N 374.444 4.027 0 1 FIAF CC=C(C)c1cc(O)c(C)c(O)c1Oc1cc(O)cc(C)c1C(=O)OC 2356363541 MRFZDDXTMDVMTM-UHFFFAOYSA-N 358.390 4.422 0 1 FIAF CCCCN1c2ccccc2CN2CC[C@H](OC(=O)c3ccccc3)[C@H]21 2356846308 OMQYRVGINJIUNI-LEWJYISDSA-N 350.462 4.064 0 1 FIAF Cc1cc(C)cc(NC(=O)c2cnn(-c3ccccc3)c2C2CCNCC2)c1 4992077 GPRMYUFTUNMGEN-UHFFFAOYSA-N 374.488 4.208 0 3 FIAF CC1(C)CCC(C)(C)c2cc(C(=O)N3CCC[C@](C)(C(=O)O)C3)ccc21 61898404 WPOAYZOFWGBLHI-QFIPXVFZSA-N 357.494 4.363 0 3 FIAF CN(C(=O)[C@@H]1CC=C[C@@H]2CCN(C3CCCCC3)C(=O)[C@@H]21)c1ccccc1 205705069 SQTSHBXNWNDAAA-UIFIKXQLSA-N 366.505 4.023 0 3 FIAF O=c1c2ccccc2nc2sc(Nc3ccc(Cl)cc3Cl)nn12 2971389 YREQXHFPXIVAIH-UHFFFAOYSA-N 363.229 4.355 0 1 FIAF Cc1ccccc1NC(=O)N1[C@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 4355014 JELRSPJGLHCERQ-ALOPSCKCSA-N 357.498 4.075 0 1 FIAF CC(C)=CCc1cc2c(=O)cc(-c3ccc4c(c3)OCO4)oc2cc1O 5159018 MHTMKSFNYLNWIM-UHFFFAOYSA-N 350.370 4.403 0 1 FIAF biogenic,in-vitro CCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 13779457 LVJUXRYTNUQELA-UHFFFAOYSA-N 351.328 4.094 0 1 FIAF COc1cc(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3O)c(=O)c12 14762973 RAGHIRZNTGDCED-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF biogenic CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccsc2)cc1 27092188 SFWUIPYCGOKQGU-UHFFFAOYSA-N 372.393 4.228 0 1 FIAF O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCC1)CC2 27894588 GWNDTWSMNIBSRN-UHFFFAOYSA-N 369.553 4.308 0 1 FIAF O=C(O)Cc1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1 38149786 XTDBGBVPMKZZHK-UHFFFAOYSA-N 350.422 4.307 0 1 FIAF C[C@@H]1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3F)nc2)C(=O)O1 40937065 HEEXJOMSNBMMTL-SNVBAGLBSA-N 370.302 4.127 0 1 FIAF COc1cc2nc(-c3ccc(Br)cc3)cc(N)c2cc1OC 45230722 VMONNPUZRUPTQF-UHFFFAOYSA-N 359.223 4.264 0 1 FIAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2sccc2c1=O 49068068 OHQQYIMZEFQMQZ-UHFFFAOYSA-N 361.422 4.477 0 1 FIAF COc1ccccc1CNCc1coc(-c2ccc(Br)cc2)n1 72101217 MSJMRWCQIHSOMX-UHFFFAOYSA-N 373.250 4.403 0 1 FIAF Nc1nccn2c(C3CCC3)nc(-c3ccc(C[C@@H]4CCCCO4)cc3)c12 96168090 RTJLPJXDPRBODG-SFHVURJKSA-N 362.477 4.358 0 1 FIAF CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4ccnc(C5CC5)n4)c3c2)o1 203729322 PFJLWRBNOCAYMG-UHFFFAOYSA-N 360.421 4.373 0 1 FIAF O=C1C[C@@H](Sc2cccc3ccccc23)N1C(=O)NCc1ccccc1 299857799 CZNHUAVDEZUACZ-HXUWFJFHSA-N 362.454 4.400 0 1 FIAF COc1nccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c12 586966091 DPSAOQSOSGOSMA-UHFFFAOYSA-N 365.462 4.061 0 1 FIAF CCn1cc(Br)c(Cc2nc3ccc(Cl)c(C)c3[nH]2)n1 587000802 KWHUJVILYCXQET-UHFFFAOYSA-N 353.651 4.094 0 1 FIAF Brc1nccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587016652 AMLPNDIGAZQGIV-UHFFFAOYSA-N 361.224 4.028 0 1 FIAF Cc1c(Br)cnc2[nH]c(CNc3ccccc3Cl)nc12 587060730 SOSQOOXTXUWEQO-UHFFFAOYSA-N 351.635 4.294 0 1 FIAF COc1ccc(Cl)c(-c2ccc(-c3nc4c(N)ncnc4[nH]3)cc2F)c1 587143775 ZBTUAJYXKOLKBU-UHFFFAOYSA-N 369.787 4.070 0 1 FIAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(Br)nc3[nH]2)c1F 587151774 IRBKEHLHPIYJAR-RKDXNWHRSA-N 350.166 4.270 0 1 FIAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)cnc3[nH]2)c1F 587153165 WPZLVPWVXXAVOD-VHSXEESVSA-N 350.166 4.270 0 1 FIAF C[C@H](Oc1ccc(F)cc1)c1nc2c(F)cnc(Br)c2[nH]1 587168274 DVLKKNLUJVXBIN-ZETCQYMHSA-N 354.154 4.139 0 1 FIAF Cc1cnc(Cl)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc12 587205735 TUWDTAJZEYYTCM-NSHDSACASA-N 366.893 4.402 0 1 FIAF COc1cccc(-c2ncc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)c1 587414279 SZCZCRRJUDIRIS-KRWDZBQOSA-N 366.442 4.416 0 1 FIAF COc1ccc(-c2ccncc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587437321 XTAJVOBBAWLJMO-JPYJTQIMSA-N 373.408 4.255 0 1 FIAF CCO[C@@H](C)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442910 ZSLRIRLKOITHEQ-CYYCYGDNSA-N 352.430 4.456 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3cnn(C)c3c1)CC2=O 587478761 SWMKYXDASJXCBS-OAQYLSRUSA-N 350.418 4.112 0 1 FIAF O=C1C[C@@H](c2cc(F)cc3c2OCOC3)Oc2c1ccc1c2CCCC1 587502399 CEODTRYTTPIVSF-IBGZPJMESA-N 354.377 4.278 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587509409 CMZDVYPTIOLJFG-OYHNWAKOSA-N 371.477 4.347 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)C(F)F)N1 587708553 YWVNBGSHSLSFEK-QTTZVWFDSA-N 358.148 4.238 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(F)c(F)c2)N1 587715519 HZEUSGSEXPJNOP-QZTNRIJFSA-N 372.184 4.196 0 1 FIAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587718586 NKUNINJRVNLJRI-XYZCENFISA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)c(F)c2)N1 587725581 FCYNSHYUEFRRLV-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF CC(C)N(C)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743765 XVROWSUNNYZHIW-YVEFUNNKSA-N 357.311 4.068 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccncc23)N1 587805250 SQTXEYBLIOBBCO-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF COc1cccc(C2(c3nc4cnc(C(F)(F)F)[nH]c-4n3)CCCC2)c1 587931941 RHWFFQHQOLBASL-UHFFFAOYSA-N 362.355 4.192 0 1 FIAF C[C@@H](NC(=O)N1C(=O)C[C@@H]1Sc1ccc(F)c(F)c1)c1ccccc1 1857577293 HQUZRTXXHWRYCN-DIFFPNOSSA-N 362.401 4.086 0 1 FIAF CCC=CCC=CC[C@@H]1O[C@H](C=C=CBr)C[C@@H]1OC(C)=O 2356524346 ADPYLPCYOQTHGO-MQLJSZGFSA-N 355.272 4.442 0 1 FIAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CC=CC=Cc4ccccc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356626886 NOUPIFUCBJJMRR-SUAPAQTQSA-N 374.480 4.332 0 1 FIAF Oc1ccc(-c2cnc3cnc(-c4ccnc(C(F)(F)F)c4)cn23)cc1 2382233996 FSBHKZFYWQNDFO-UHFFFAOYSA-N 356.307 4.183 0 1 FIAF CCOc1ccc(F)c([C@@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F 6411241 QLRFOQAJDSEUSU-ZYHUDNBSSA-N 367.783 4.090 0 1 FIAF O=C1[C@H]([C@H](O)c2ccc(C(F)(F)F)cc2)CCCN1Cc1ccccc1 103282512 BVIZHIWREDUGIA-ZWKOTPCHSA-N 363.379 4.178 0 1 FIAF COc1cccc2c1[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 100620714 YEFMXZXPHZARAI-QUCCMNQESA-N 360.457 4.288 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101197314 IWSCITFBDCQRGG-VLNRKUHFSA-N 350.499 4.479 0 1 FIAF CCc1cccc(C)c1NC(=O)[C@H](CC)Sc1nc2cc[nH]cc-2n1 103901127 MWRWNSQFJIDLPM-INIZCTEOSA-N 354.479 4.290 0 1 FIAF CC(=O)Nc1ccc2oc(-c3ccc(C(F)(F)F)cc3)c(O)c(=O)c2c1 58575792 CMXTUVLKNXKXOP-UHFFFAOYSA-N 363.291 4.143 0 1 FIAF CNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@@H](C2)N(CC1CCC1)CC3 101105907 NHTWPKUCTUYFEM-LSWJPFSZSA-N 368.521 4.263 0 1 FIAF in-vivo O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)[C@@H]1CCOC1 28966667 XDCZGBKFCLBOAX-CYBMUJFWSA-N 363.442 4.420 0 1 FIAF COCc1cccc(-c2csc([C@@H](NC(C)=O)c3cccc(F)c3)n2)c1 61907540 SHEYSFNFGPCKNK-IBGZPJMESA-N 370.449 4.321 0 3 FIAF COc1cc2c(cc1OC)[C@@H]1[C@@H](C)c3ccc4c(c3CN1C=C2)OCO4 2356464107 XSOKSDXTNIQQJD-YUNKPMOVSA-N 351.402 4.077 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@H]32)C1 2356695010 PXJSGBDQUJYNKD-FDPOVUBTSA-N 374.521 4.059 0 1 FIAF CNc1nc(NCc2ccc(Cl)cc2Cl)cc(-c2ccccn2)n1 219042809 HOVRMCPKCWLHJS-UHFFFAOYSA-N 360.248 4.499 0 1 FIAF in-vitro O=C(Nc1cc(C(F)(F)F)ccc1-c1ccccc1)NC1(C(=O)O)CC1 218428768 WRYIDIDIYPDNAK-UHFFFAOYSA-N 364.323 4.111 0 1 FIAF NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3occ(Cl)c23)cc1 72108816 YIIXCCIPMOLUEF-UHFFFAOYSA-N 373.821 4.025 0 1 FIAF COc1cc(CCCCCCC(=O)N2CCCCC2)cc(OC)c1OC 230503090 VSKBACRVKWEWJG-UHFFFAOYSA-N 363.498 4.218 0 1 FIAF CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(C(F)(F)F)cc3)nc2c1 95593907 WRJARDLPYYSPOE-UHFFFAOYSA-N 370.352 4.168 0 1 FIAF CC(C)=CCC/C(C)=C/CNC(=O)CN[C@H](c1ccc[nH]1)C(F)(F)F 653803302 QJHHIFOJIFIPLA-RKCSUWQLSA-N 357.420 4.017 0 1 FIAF CN(Cc1cccc(Cl)c1)C(=O)Cc1cc2c3c(cccc3n1)CC2 587209559 REBIHISOEQPIIG-UHFFFAOYSA-N 350.849 4.188 0 1 FIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cncc(Cl)c3[nH]2)cs1 587019416 LVIPFBUSDXRKCC-UHFFFAOYSA-N 365.846 4.006 0 1 FIAF C[C@@]1(c2ncccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543970 CVTFUFUMADBVNH-OXJNMPFZSA-N 367.788 4.318 0 1 FIAF Cc1c(-c2nc3cc(F)c(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 586905292 JFQAMFJJYMVYBG-GFCCVEGCSA-N 365.202 4.403 0 1 FIAF CC[C@]1(c2ccc(OCC(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419628 DECAKOHXHQKVFL-IIBYNOLFSA-N 374.383 4.392 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc(COC/C=C\c3ccccc3)nc1-2 587780500 ATFQVIJQCWJHJU-DAXSKMNVSA-N 368.746 4.207 0 1 FIAF CCCn1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587752762 FSJQESNVSDFEIG-DIFFPNOSSA-N 351.263 4.423 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1coc(C)n1 587858393 HQRMTXQIWHHFAD-UHFFFAOYSA-N 366.204 4.241 0 1 FIAF O=C(N[C@@H]1CCc2c(nc3cccc4c3c2CC4)C1)OCc1ccccc1 587211057 KNZKYZRFJQBYDV-QGZVFWFLSA-N 358.441 4.117 0 1 FIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Br)cnc2[nH]1 587928703 AZHUBQWCFSNBSL-SJCJKPOMSA-N 358.239 4.174 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2)N1 587835211 VRFADZPWKCRVPT-BTDLBPIBSA-N 350.231 4.092 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)c1ccc(OC)c(OC)c1)CC2=O 587484077 WEHKCSUFVWRPEF-XCLFUZPHSA-N 370.445 4.499 0 1 FIAF CCN(CC)CCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587739201 GNLNXILLOFDNMD-UGSOOPFHSA-N 371.338 4.460 0 1 FIAF C=C(NNc1ccc(Cl)c(C(=O)O)c1)c1ccc(Br)cc1 957577772 FYHHOJLMTNXWMK-UHFFFAOYSA-N 367.630 4.388 0 1 FIAF Cc1ccc(C)c([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1 962706921 JWGJUNSPAMUZFP-SJORKVTESA-N 367.342 4.150 0 1 FIAF Cn1cnc2cc([C@H]3NC4(CC4)Cc4ccc(Br)cc43)ccc21 961314812 AUSMDRXQQHEEQB-GOSISDBHSA-N 368.278 4.104 0 1 FIAF CCCC[C@@]1(c2ccco2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957669 CFZXWKHUUZJDIG-UGSOOPFHSA-N 369.795 4.244 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(-n2cncn2)c(F)c1 963256153 AQZCOFMVFHZCQT-BTYIYWSLSA-N 350.441 4.152 0 1 FIAF OC[C@]1(c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2C[C@H]2CCCN21 963113749 ZSYFJZCRUPOYFT-BEFAXECRSA-N 366.263 4.389 0 1 FIAF Cc1cc(Cl)c([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c(Cl)c1 963026103 NHLWDSGBFXZDLY-NSPYISDASA-N 361.272 4.445 0 1 FIAF CCOc1ccc([C@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962634326 TZJVJVMWYNPOEQ-IVZQSRNASA-N 355.478 4.242 0 1 FIAF Cc1nc2ccc(C)c(Sc3ccnc(C(F)(F)F)c3)c2c(=O)[nH]1 13826177 SZWQFMKAPRFHLL-UHFFFAOYSA-N 351.353 4.105 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC(Nc2nc3ccccc3o2)CC1 6810557 YZERJXKEQCVFIP-UHFFFAOYSA-N 354.385 4.075 0 1 FIAF C[C@H](CNc1nccn(-c2ccc(F)c(Cl)c2)c1=O)c1ccccc1 15732417 DARVJYQLXXJJID-CYBMUJFWSA-N 357.816 4.241 0 1 FIAF CN(C)CC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 29235893 BBLLPJGXAPQNKH-UHFFFAOYSA-N 364.232 4.302 0 1 FIAF C[C@@](O)(c1ccc(S(=O)(=O)c2ccccc2C2CC2)cc1)C(F)(F)F 35900569 OXRBPNUVVBGCFO-QGZVFWFLSA-N 370.392 4.167 0 1 FIAF CCCC[C@@H](O)C1=CC[C@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@@H]3C1 40511777 DJYWGBMTZMYDEB-AFXVXQJMSA-N 355.522 4.081 0 1 FIAF Cc1cccc(CNc2cc(-n3ccccc3=O)cn3c(C)c(C)nc23)c1 40954727 ZLFGMTXYTICDKB-UHFFFAOYSA-N 358.445 4.023 0 1 FIAF Fc1ccc(-c2nc(CNC3CCN(Cc4ccccc4)CC3)co2)cc1 72183401 OAWQVMNTBGNEPY-UHFFFAOYSA-N 365.452 4.235 0 1 FIAF Cc1nc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)ccc1F 96939143 JZEUSUKNWAQANF-UHFFFAOYSA-N 358.760 4.017 0 1 FIAF Cc1nc2sccn2c1-c1csc(Nc2ccc(N(C)C)nc2)n1 103263277 XSAVJZHRGLMFMA-UHFFFAOYSA-N 356.480 4.032 0 1 FIAF CC(C)(C)OC(=O)Nc1cnccc1NC(=O)c1ccc2ncsc2c1 169303713 CHWUMFGYDVVRHB-UHFFFAOYSA-N 370.434 4.291 0 1 FIAF CCN1c2ccc(F)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc21 263620801 NQBRFDSRSGHBBK-UHFFFAOYSA-N 372.875 4.276 0 1 FIAF in-vitro CCOc1n[nH]c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c1Br 586980053 OCTAOZYJMRVNLM-UHFFFAOYSA-N 363.259 4.412 0 1 FIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cccnc3[nH]2)C[C@@H]2CCCC[C@H]21 587027229 QUHQKSBONWCDJZ-UAGQMJEPSA-N 366.490 4.094 0 1 FIAF COC(=O)c1cccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587077123 QIELGWJHIDAKMS-QGZVFWFLSA-N 369.852 4.340 0 1 FIAF Cc1cc(Cl)cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587194137 MGZAZCXEQWXKDM-ZDUSSCGKSA-N 366.893 4.042 0 1 FIAF COc1cc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)ccc1Cl 587209586 SLNWRRGAZGSKOY-UHFFFAOYSA-N 353.805 4.290 0 1 FIAF Cc1cnc(Cl)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 587231977 JWXVHHXCIIGIEG-UHFFFAOYSA-N 352.825 4.470 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccc(C)c1)CC2=O 587470467 OCWXFUBOORZGJH-JOCHJYFZSA-N 367.445 4.406 0 1 FIAF COc1ccc(-n2ccnc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516753 WEOAUMVNQBOFDN-OAQYLSRUSA-N 374.440 4.466 0 1 FIAF CCOC(=O)[C@@H]1CCC[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587527569 XRZPBEUXQDHKNL-QINHECLXSA-N 356.462 4.269 0 1 FIAF CC[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608827 MJTAXQODDNCJPW-KNQAVFIVSA-N 362.381 4.365 0 1 FIAF Cc1csc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587610379 FPRMHYDWNDNIFE-DNVCBOLYSA-N 353.399 4.034 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccnc2F)N1 587738013 JGIGIMROXLYUSC-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncccc3o2)N1 587778366 MNRDEOCZWSNVHW-XYZCENFISA-N 361.214 4.353 0 1 FIAF CCc1noc(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798766 WBFJNCLNROEPIU-HUTHGQBESA-N 367.262 4.245 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C2CCC2)N1 587815573 NUFKJNITYWMRRK-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF O=c1cc(-c2ccc(Cl)cc2Cl)[nH]c2c(-c3ccccn3)cnn12 653633714 QGZMPFILBVXANM-UHFFFAOYSA-N 357.200 4.058 0 1 FIAF CCNC(=O)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1 653740449 MULJAOUHAAIDMK-UHFFFAOYSA-N 352.482 4.188 0 1 FIAF O=C(Nc1ccccc1)c1cc2cc(CN3CCCCC3)ccc2oc1=O 653803254 CEBRVYKJUUMYLB-UHFFFAOYSA-N 362.429 4.031 0 1 FIAF CCCCC[C@H](O)C=C[C@H]1[C@H]2CC(=CCCCC(=O)O)C[C@@H]2C[C@H]1O 2356712302 XZFRIPGNUQRGPI-JAZQRGJZSA-N 350.499 4.072 0 1 FIAF COc1cccc(CN(C)C[C@H]2CCCN(CCc3ccccc3C)C2)c1 55053067 FWYQXRWQFDPBIS-JOCHJYFZSA-N 366.549 4.390 0 3 FIAF COc1cccc(CN2CC[C@](C)(Oc3cccc(Cl)c3)C2)c1OC 61904532 AMWICKZQVIOVFN-FQEVSTJZSA-N 361.869 4.401 0 3 FIAF CCCOc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1CN1CCCCC1 13557346 GDCGIHOHEJXVRS-UYAOXDASSA-N 358.526 4.250 0 1 FIAF O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccccc3c(=O)c21 27099460 CAGOCZMIRJLYIE-GFCCVEGCSA-N 357.331 4.460 0 1 FIAF COC(=O)c1c(Cl)cccc1NC(=O)c1ccccc1Br 28956564 DCLZAXJQPAOJQB-UHFFFAOYSA-N 368.614 4.141 0 1 FIAF CC(C)C1(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccc(F)cc2)CCCCC1 38147590 WLNNXDHLQGPCSS-HXUWFJFHSA-N 372.528 4.480 0 1 FIAF C1=N/c2ncccc2OCCCOc2cccnc2/N=C/c2ccccc2/1 43079107 KSJWLQWVLMJYOD-KOJZRSEWSA-N 358.401 4.139 0 1 FIAF O=C(C[C@@H]1COCC[C@H]1NC1CC1)c1ccc(C(F)(F)F)cc1C1CC1 96170649 MOLLVVDBCUUBBY-FZKQIMNGSA-N 367.411 4.313 0 1 FIAF O=C1[C@H](CCN2CCC(c3noc4cc(F)ccc34)CC2)CC2=CC=C[C@@H]12 100876499 GGEFSRKFXAJIQL-SJLPKXTDSA-N 366.436 4.238 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H]2CO[C@H](C2)[C@@H]1C/C=C\CCCC(=O)O 100934359 DJKDIKIDYDXHDD-MGQPZDERSA-N 350.499 4.336 0 1 FIAF CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1OCC 116109938 RFNAOFFZMHTEFM-QGZVFWFLSA-N 366.417 4.181 0 1 FIAF CC(C)[C@@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167490037 ZEMVEISEORCVQS-OAHLLOKOSA-N 351.450 4.009 0 1 FIAF COC(=O)[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)C[C@H]2CC[C@H]1N2C 253639838 VMRNKEYMTOGQHV-MHTWAQMVSA-N 353.437 4.232 0 1 FIAF CCCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCC[C@H]3[C@H]2C1=O 254113498 GGXWBZNRHZUBAJ-OHHBCXFOSA-N 350.462 4.324 0 1 FIAF Brc1cc2[nH]c([C@@H]3CCOC3)nc2cc1OCc1ccccc1 586911963 MXOWGLMAXICSGX-CYBMUJFWSA-N 373.250 4.408 0 1 FIAF COc1cc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)ccn1 586988241 NXYJPBJJVFFJAY-UHFFFAOYSA-N 368.392 4.146 0 1 FIAF Cc1cc(F)c2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2c1 587029337 MNKDSSPCMGPEBW-UHFFFAOYSA-N 354.410 4.160 0 1 FIAF CCOc1cc(/C=C\c2nc3cnc(Cl)[nH]c-3n2)ccc1OC(F)F 587130294 KQBKHTNZFDQFPR-XQRVVYSFSA-N 366.755 4.128 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3cc(C)cc(Br)c3[nH]2)c1 587242435 LNQJFCDXPWEQCX-UHFFFAOYSA-N 358.239 4.183 0 1 FIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cn1 587247067 GJOATPGUPVNJGM-UHFFFAOYSA-N 363.343 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cnc(C4CCCCC4)nc1)[C@@H](C2)C3=O 587436538 QKMQOBWPRSVDFC-OXJNMPFZSA-N 350.418 4.022 0 1 FIAF O=C1C[C@@](Cn2ccnc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587515681 OFJQILKBCDGGOZ-HSZRJFAPSA-N 358.441 4.323 0 1 FIAF COc1cc(C)ccc1OCc1nc2cc(Br)c(F)cc2[nH]1 587564750 XEFCXLXLZBTOOW-UHFFFAOYSA-N 365.202 4.361 0 1 FIAF Cc1ccn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc2c1 587585619 FJZTZYWOVOKMBV-SIKLNZKXSA-N 372.380 4.051 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccccc12 587612130 UHTAKYIQMSLJNG-DENIHFKCSA-N 360.365 4.032 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccn2)N1 587700115 LTBFUYGNZNUEEE-ABKXIKBNSA-N 369.665 4.434 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)c(F)c2)N1 587726699 YYSFYINLEWFFFA-HUTHGQBESA-N 367.237 4.107 0 1 FIAF Cc1c[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794034 SLNRTWNVXGYRAP-BTDLBPIBSA-N 351.263 4.331 0 1 FIAF CCC[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587818945 SYEHSCQYRZUSMZ-IUUKEHGRSA-N 368.290 4.487 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(F)cc(F)c1 587868101 JLKNQGIWRLZOSW-UHFFFAOYSA-N 355.266 4.240 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(C)c(Br)cnc2[nH]1 587930357 OSXZRIVNMZLLJG-KPZWWZAWSA-N 372.266 4.483 0 1 FIAF O=C1CCC(c2ccccc2)(c2nc3cncc(Br)c3[nH]2)CC1 587971242 XDASMTBJLIQSRA-UHFFFAOYSA-N 370.250 4.150 0 1 FIAF CCOC(=O)[C@@H]1C(C)=C[C@@]2(C[C@@H]1C(C)C)NCCc1ccc(F)c(C)c12 962298577 NCFQECSROCDZEZ-JUXOCIIHSA-N 359.485 4.277 0 1 FIAF CCc1cc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)on1 962629605 BTTVKLZYQLRNRU-NZQKXSOJSA-N 359.473 4.073 0 1 FIAF CC(C)(C)O[C@@H]1C[C@]2(c3c(F)cccc3C[C@@H]3CCCN32)[C@@H]1n1cccn1 963108750 YIHJOLGWXHXUQO-ZMUPPCTCSA-N 369.484 4.067 0 1 FIAF COCCOc1cccc(F)c1[C@@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963110511 VOHMIWMLRBOESH-HTAPYJJXSA-N 373.443 4.274 0 1 FIAF CC1=CC[C@@]2(CC1)N[C@@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963201883 SLHTUPLNAJVJLZ-WBMJQRKESA-N 359.775 4.283 0 1 FIAF Cc1c(O)ccc2c1[C@@]1(CC[C@H](c3cccc(Cl)c3)C1)N[C@H](C(=O)O)C2 963521123 APMMOYXJWXIYPN-WJPUGNRLSA-N 371.864 4.116 0 1 FIAF CNC(=O)c1cccnc1Nc1cc(-c2ccc(OC)cc2)cc2[nH]ccc12 1772608851 MMBFESKURBWTJY-UHFFFAOYSA-N 372.428 4.342 0 1 FIAF O=C(O)[C@@H]1C[C@H]1C(=O)c1ccc(N(CC2CC2)c2ccc(Cl)cc2)cn1 1772615239 GUXNFOKWAUPOIK-IAGOWNOFSA-N 370.836 4.187 0 1 FIAF CCN(CC)c1ccc(NC(=O)c2c(-c3coc(C)n3)noc2C)cc1 1857574088 FPULPSASIZNWKZ-UHFFFAOYSA-N 354.410 4.045 0 1 FIAF COc1cc(C(=O)c2cc(-c3ccc(C)cc3)ccn2)cc(OC)c1OC 1857606538 NMMVKXICRCWJEP-UHFFFAOYSA-N 363.413 4.314 0 1 FIAF CCOc1ccc(Nc2cc(NC(=O)c3ccc(F)cc3)ncn2)cc1 1857770988 NVXLHRVPCVPZET-UHFFFAOYSA-N 352.369 4.010 0 1 FIAF CC(=O)O[C@@H]1CC(C)=C[C@H](O)C[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]12 2356732770 VUXOPRKKIFEKKX-DSHXAGAUSA-N 364.526 4.015 0 1 FIAF O=C1CN(C(=O)C2CCCC2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2456402 LNYXNGAWHMOKLR-FQEVSTJZSA-N 370.399 4.025 0 1 FIAF Cc1cc(-c2ccc(F)cc2)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(C(C)C)n1 3787799 ROSRAJDGGIMAJE-RKQNLGICSA-N 369.436 4.399 0 1 FIAF Cc1nc(CCCCCOC(=O)c2ccccc2)n2nc(Cl)ccc12 5891793 VAQJZQNQAXFGQV-UHFFFAOYSA-N 357.841 4.261 0 1 FIAF O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)NCCC1=CCCCC1 33710934 VSVPJQLASYQUEE-UHFFFAOYSA-N 360.841 4.069 0 1 FIAF O=C1NC(=O)c2c1c(-c1ccc(Cl)cc1)cc1[nH]c3ccc(O)cc3c21 36161207 RJGGOSCJTPQJNS-UHFFFAOYSA-N 362.772 4.231 0 1 FIAF Cn1cc(C2=C(c3cc(Cl)ccc3Cl)C(=O)NC2=O)c2ccccc21 43077807 GZUAIZQHFUIUKH-UHFFFAOYSA-N 371.223 4.052 0 1 FIAF N[C@H]1CCN(Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)C1 45324008 SNTTXYMROKUTGW-NRFANRHFSA-N 368.484 4.430 0 1 FIAF Cc1cccc2cc(CN[C@@H]3CCOC(C)(C)C3)c(N3CCCC3)nc12 45369158 DNERQJFTJKJJPF-LJQANCHMSA-N 353.510 4.191 0 1 FIAF NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 66103200 ZYRYBBGMNLVUJU-IBGZPJMESA-N 373.460 4.094 0 1 FIAF O=C(CC1CCCCC1)N1CCC(c2nc(-c3cccs3)no2)CC1 71316849 CTZIYDCKRRFLFJ-UHFFFAOYSA-N 359.495 4.475 0 1 FIAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)N[C@H](c1ccc(F)cc1)C2 146661399 ZQKVVTZRFVMFBL-ZDUSSCGKSA-N 359.451 4.026 0 1 FIAF CC(=O)Nc1cccc(-c2ccc(C[C@]3(C)SC(=O)[C@H](C)C3=O)cc2)c1 169717819 NOCWMDVQQQCJGT-ASSNKEHSSA-N 367.470 4.092 0 1 FIAF c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(OCc2cscn2)c1 587028930 BQZDIZUQTDBMMK-UHFFFAOYSA-N 365.414 4.037 0 1 FIAF Cn1cccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342513 NYKRUPKYXWKCPU-PZJWPPBQSA-N 351.377 4.144 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(=O)c3ccco3)cc1)O2 587415014 XQIZJYKYEXFKGN-IBGZPJMESA-N 363.369 4.096 0 1 FIAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cccs1)CC2=O 587494539 MENVISMZMNTDBY-PISNEZEASA-N 357.475 4.342 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1scc3c1OCCO3)CC2=O 587494576 MIIHHERHMFPGLL-LJQANCHMSA-N 360.431 4.058 0 1 FIAF CCCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)s1 587495855 VCLMXYGLVZGQCT-FQEVSTJZSA-N 374.506 4.234 0 1 FIAF O=C1C[C@@]2(CCN(c3ccccc3)C(=O)C2)Oc2c1ccc1c2CCCC1 587515570 VENREOIQRDAMKC-HSZRJFAPSA-N 361.441 4.096 0 1 FIAF Cc1nc2sccn2c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587538991 TVZBHMCBHUACKF-HXUWFJFHSA-N 352.459 4.464 0 1 FIAF Nc1c(Cl)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549225 YUTDTNVAAKADNQ-JXFKEZNVSA-N 367.788 4.331 0 1 FIAF Cc1cccc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn12 587590640 ZLXLDFIWGGEFSY-SIKLNZKXSA-N 372.380 4.051 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Cl)s1 587618577 OTCFMFUSAQPOOH-BBRMVZONSA-N 359.790 4.205 0 1 FIAF CC(C)Cn1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587756292 CYRVKMYUQFRRSL-GTNSWQLSSA-N 366.278 4.064 0 1 FIAF COc1ccccc1C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805079 DCCQDYJTNZUJBS-NHYWBVRUSA-N 364.258 4.415 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=N)c1cccc(C)n1 587862699 WHGMZNHOCXEWMK-UHFFFAOYSA-N 360.339 4.155 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3c(F)c(F)c(F)c(F)c3[nH]1)CC2 587937533 MOABRARYQAMANL-SECBINFHSA-N 350.315 4.400 0 1 FIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(Br)c3[nH]2)cc1 587938197 UKKHRYBUHUVTFT-QLJPJBMISA-N 361.239 4.171 0 1 FIAF CCOC(=O)c1ccc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 587945452 FDSGVKIXRNRCLH-AWEZNQCLSA-N 350.418 4.021 0 1 FIAF CC(=O)NCCc1cccc2ccc(OCCCOc3ccccc3)cc12 653782585 MTKMXKPUUOZBTL-UHFFFAOYSA-N 363.457 4.366 0 1 FIAF CC(C)[C@]1(C(C)(C)CCc2ccccn2)NCCc2nc3ccccn3c21 962991199 UJQPGJIYBQOTAA-QHCPKHFHSA-N 362.521 4.385 0 1 FIAF O=C(O)[C@H]1C[C@@H]1C(=O)c1ccc(N(CC2CC2)c2ccc(Cl)cc2)cn1 1772615240 GUXNFOKWAUPOIK-IRXDYDNUSA-N 370.836 4.187 0 1 FIAF COc1ccc(-c2cnc3cnc(-c4cc(OC)cc(OC)c4)cn23)cc1 1857596392 WHCWYIFNZAKUBS-UHFFFAOYSA-N 361.401 4.089 0 1 FIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OC)cc21 1857611723 UZJNZTKOZPAXOA-UHFFFAOYSA-N 358.441 4.349 0 1 FIAF COc1cc2ccnc([C@@H](C)c3ccc(OC)c(OC)c3O)c2cc1OC 1911581772 BYSHLXLOJYWNSC-LBPRGKRZSA-N 369.417 4.127 0 1 FIAF CC1=CCC2=C(C)[C@](O)(C(C)C)C[C@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 2356500888 FSOJCBVIWZXKTJ-RZUBCFFCSA-N 356.462 4.381 0 1 FIAF CC(=O)c1c(O)c(C(C)C)cc2c(c1=O)C[C@]1(O)CCCC(C)(C)[C@@H]1CC2 2356688539 CZCNOWAZNPUCJO-FDDCHVKYSA-N 372.505 4.125 0 1 FIAF Brc1ccc(-c2nnc(-c3cccnc3)c3conc23)cc1 987969 HLGBPJFTRPNCFX-UHFFFAOYSA-N 353.179 4.109 0 3 FIAF CCOc1ccccc1-c1nc(CN(Cc2cnn(C)c2)C(C)C)c(C)o1 13593915 GBGBAZOTOVYHDV-UHFFFAOYSA-N 368.481 4.193 0 3 FIAF CCNC(=O)[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1 61928361 SALKTPOLXWEINA-NRFANRHFSA-N 366.505 4.004 0 3 FIAF COCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1 2481971 MSPDTPYQPPQROD-UHFFFAOYSA-N 356.809 4.038 0 1 FIAF Cc1ccc(Sc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cn2)cc1 3815906 HOQFASLAKGMHRC-UHFFFAOYSA-N 360.442 4.183 0 1 FIAF COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)c1 103953717 FJGDBJSNGGZHFS-CQSZACIVSA-N 369.446 4.127 0 1 FIAF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1OC(=O)Cc1ccccc1 103206801 PNAUKGVIUPLYSV-PIPMEXSNSA-N 366.413 4.149 0 1 FIAF Clc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)c(Cl)c1 28653689 SURWWTXAQSMZIP-QZTJIDSGSA-N 358.309 4.196 0 1 FIAF COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC=C(C)C4=C[C@H]32)cc1 504699676 HSKOMYSWFSXSNI-VKUXKFIQSA-N 367.489 4.019 0 1 FIAF biogenic COc1cc(OC)cc(/C(=C\CCN(C)C)c2ccc(OC)c(OC)c2)c1 73196831 OLJIMPAUXRCAHJ-ZBKNUEDVSA-N 371.477 4.104 0 1 FIAF C[C@@H]1CCCN(c2nc(SCc3ccccc3)nc3[nH]c(=N)sc23)C1 1911583027 LAHPPNMCLOCFRB-GFCCVEGCSA-N 371.535 4.027 0 1 FIAF Cc1cccc(C)c1Nc1nnc([C@@H](O)c2cc(F)c(F)c(F)c2)s1 82078547 IZPIIXHUADGMOZ-HNNXBMFYSA-N 365.380 4.398 0 1 FIAF Cc1ccc(Nc2nc3cc(C(N)=O)ccc3n2CC(C)C)cc1Cl 82191647 WLROUJCULFGALM-UHFFFAOYSA-N 356.857 4.497 0 1 FIAF COc1ccc(OC)c(CCNc2cncc(Oc3ccc(F)cc3)n2)c1 82068522 XDXKYGJLKGNNKO-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF COC(=O)C1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 238772312 BWADDJDJLUBKIC-FCRQHZQGSA-N 364.482 4.105 0 1 FIAF C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2[C@H](C)c2ccccc2)CCC[C@H]1C 618007442 UZUZYHUZSFVUQV-LCIUTUHKSA-N 356.510 4.070 0 1 FIAF O[C@@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1cccc2ccccc12 653887867 ZDHKZYYYAXUGJL-YFNKSVMNSA-N 364.533 4.040 0 1 FIAF Fc1c(Cl)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1F 587040575 IAIDGTIYOFUAEU-STQMWFEESA-N 365.836 4.441 0 1 FIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(C)c2[nH]1 586983802 CMVODNRJWCUMDJ-INIZCTEOSA-N 372.266 4.054 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2c1OC 587032868 CBSZKCZHPIDVSA-JTQLQIEISA-N 356.447 4.211 0 1 FIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 586880327 XPDFBOKUFBGCOB-UHFFFAOYSA-N 364.792 4.299 0 1 FIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 586879245 NAHONUHDPPVYLY-UHFFFAOYSA-N 371.396 4.002 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1 586891135 SUWNYVQWEZTWFV-APPDUMDISA-N 358.825 4.148 0 1 FIAF COc1cc2c3c(c1)O[C@@](CC1CCOCC1)(c1ccccc1)[C@@H](C2)C3=O 587454792 YBUOTLKKFBWJDL-CVDCTZTESA-N 364.441 4.155 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccnc1Cl 587559041 VLEAHTNHZOWFAO-QAPCUYQASA-N 371.751 4.283 0 1 FIAF Cc1c(Br)cnc2[nH]c(/C=C/c3ccc(F)cc3F)nc12 587149671 PHFWUBJEINSKQA-HWKANZROSA-N 350.166 4.477 0 1 FIAF O=C1C[C@@]2(CC[C@@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 587529020 HUKUFKFLEYQWCM-UZUQRXQVSA-N 362.425 4.388 0 1 FIAF COC[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587380178 BXGRTLRCTKAZFQ-SFHVURJKSA-N 365.351 4.103 0 1 FIAF C[C@]1(c2cncc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340695 YULRHEQEBMJNBU-PZJWPPBQSA-N 367.351 4.340 0 1 FIAF Cc1ccc(NC2(c3nc4c(S)nc(S)nc4[nH]3)CCCC2)cc1 587236663 CMABCCTUFVFLHZ-UHFFFAOYSA-N 357.508 4.120 0 1 FIAF CCCC(=O)O[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587790138 FSJLQIKSVZKQRB-CZIZLABSSA-N 372.278 4.069 0 1 FIAF Oc1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586984979 JXPFVKLFCDLVIC-KRWDZBQOSA-N 372.266 4.216 0 1 FIAF CC(C)Oc1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 587092680 YSFXXUBGVRAREZ-UHFFFAOYSA-N 351.328 4.353 0 1 FIAF COc1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 587258282 FDYLJIVEQHIEGC-SFHVURJKSA-N 374.444 4.143 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)O)cc1Cl)CC2=O 587463460 XFPJZWDHFPHEKX-QGZVFWFLSA-N 360.793 4.403 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)nc1N(C)C)CC2=O 587461481 MUOYBYDBRZKFOB-INIZCTEOSA-N 360.841 4.166 0 1 FIAF Cc1cc(O)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587835748 XWNRUZCHRIDYRP-QGHHPUGFSA-N 350.231 4.226 0 1 FIAF CCCC[C@H](CO)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587827478 PNCNMXRSXJLPPJ-PPHDSNJXSA-N 358.295 4.136 0 1 FIAF c1cncc(CN2CCc3sccc3[C@@H]2c2ccc3ncncc3c2)c1 962999934 SOVUGOPEVAJPOH-NRFANRHFSA-N 358.470 4.234 0 1 FIAF Cc1ccnc2c1CCN[C@]2(C)c1cccc(NC(=O)Nc2ccccc2)c1 963071380 RMNLMWAMLMBRQJ-HSZRJFAPSA-N 372.472 4.443 0 1 FIAF COc1ccc2c(c1OC)[C@H](c1cc(Cl)cnc1Cl)N(C)[C@@H](C)C2 962573341 RFOXAIDKUXIZQK-QFYYESIMSA-N 367.276 4.371 0 1 FIAF Cc1ccc([C@@]2([C@H]3CCOC(C)(C)C3)NCCc3ccc(O)cc32)cc1 963327968 BSNDTXLCPBIRME-CVDCTZTESA-N 351.490 4.295 0 1 FIAF COc1ccc(CCNc2nc(NC(C)C)nc3ccccc23)cc1OC 1772609090 ZHDADBWRFGGICV-UHFFFAOYSA-N 366.465 4.122 0 1 FIAF CN1CCC(Nc2nc(Nc3ccc(F)cc3)nc3ccccc23)CC1 1772579396 QOYKUCVQBKIIIV-UHFFFAOYSA-N 351.429 4.019 0 1 FIAF COc1ccc(-c2cccn([C@H](CN3CCCC3)c3ccccc3)c2=O)cc1 13436601 FFTCTZCOJYMKCU-HSZRJFAPSA-N 374.484 4.209 0 1 FIAF COc1ccc(CCCNCCOc2cc(F)cc3c2O[C@H](C)CC3)cc1 13780385 OFIAKRBYKQTIPM-MRXNPFEDSA-N 373.468 4.149 0 1 FIAF O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)c2ccoc2)CC1 14977779 LNEPLXZSJQHAOQ-UHFFFAOYSA-N 364.401 4.031 0 1 FIAF CC(=O)Nc1cccc(-c2ccc(C[C@@]3(C)SC(=O)[C@H](C)C3=O)cc2)c1 169717818 NOCWMDVQQQCJGT-LRTDBIEQSA-N 367.470 4.092 0 1 FIAF O=C(Nc1n[nH]c2nc(-c3ccc(O)cc3)c(-c3ccccc3)cc12)C1CC1 12355108 KGIDFBNHNUZTPT-UHFFFAOYSA-N 370.412 4.346 0 1 FIAF Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)c1ccc(Cl)s1 12457833 JWTKTRGAGNQBKY-LLVKDONJSA-N 358.854 4.053 0 1 FIAF C[C@H](Nc1ncnc2c1nnn2Cc1ccccc1Cl)c1ccccc1 13778550 NFBQDUZJGGQEPE-ZDUSSCGKSA-N 364.840 4.096 0 1 FIAF CCOC(=O)c1cc2c3cc(OCc4ccccc4)ccc3n(C)c2cn1 13780140 BRFGUEUMJVMLHX-UHFFFAOYSA-N 360.413 4.482 0 1 FIAF Cc1cccc(Cl)c1Nc1nc2cc3c(cc2n2cncc12)OCO3 13860298 WCSWECFLPWAPFQ-UHFFFAOYSA-N 352.781 4.317 0 1 FIAF CCOC(=O)/C(Br)=C1/OC(=O)c2ccccc2-c2ccccc21 17215967 GGNIZPFKTFTVDL-NXVVXOECSA-N 373.202 4.151 0 1 FIAF CCc1ccc(NS(=O)(=O)c2cc(-c3cc(C)n[nH]3)ccc2C)cc1 20991892 KZFIRVPOKVVNCH-UHFFFAOYSA-N 355.463 4.057 0 1 FIAF C[S@](=O)c1ccc(-c2coc3ccc(-c4nnc(S)o4)cc23)cc1 45286813 INXNKUSMLVWENP-XMMPIXPASA-N 356.428 4.176 0 1 FIAF O=C(O)C[C@@H](Cc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Cl)cc1 72118829 WDQQQFDVABRXFU-SNVBAGLBSA-N 350.752 4.296 0 1 FIAF Cc1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1 73195734 FXRSYGYOILGAPV-UHFFFAOYSA-N 354.479 4.246 0 1 FIAF O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccccc1 95572027 FFIHIYODYIKHMJ-UHFFFAOYSA-N 352.265 4.295 0 1 FIAF in-vitro CN1[C@H]2CC[C@H]1[C@H](OC(=O)C(Cl)(c1ccccc1)c1ccccc1)CC2 101794395 QYFGNSZBWRHVCX-SLFFLAALSA-N 369.892 4.337 0 1 FIAF COc1cc([C@H](Nc2ccccc2)P(=O)(OC)OC)cc(OC)c1O 103299969 IBZFLOPKTUJJID-QGZVFWFLSA-N 367.338 4.006 0 1 FIAF O=c1c(-c2ccsc2)cnc2c(-c3cccc(Br)c3)c[nH]n12 137105037 ACWOMUVIKOHXCF-UHFFFAOYSA-N 372.247 4.181 0 1 FIAF COc1cc(-c2nc3c[nH]ccn-3/c2=N\c2ccc(C(C)C)cc2)ccc1O 169691522 GIRZCHSIBCODLV-GYHWCHFESA-N 374.444 4.375 0 1 FIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@@H](C(=O)SCC)[C@@H]1CC 169721227 IHAGXWSASLOSNA-JKSUJKDBSA-N 359.491 4.357 0 1 FIAF c1ccc(CNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 473170801 RRSAWZIITVDFOE-HSZRJFAPSA-N 359.469 4.135 0 1 FIAF CC(C)(SCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)O 586959752 QAZFZMHQOBPZRY-UHFFFAOYSA-N 352.765 4.332 0 1 FIAF FC(F)Oc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 587130048 CZUKOUUHZWDGPH-UHFFFAOYSA-N 364.661 4.294 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587174309 HAPFBVAWVKMOIG-UHFFFAOYSA-N 356.788 4.206 0 1 FIAF Cc1ccc2c(ccc3nc([C@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c32)n1 587174804 SQVNVPKPOUEJKR-NRFANRHFSA-N 361.376 4.187 0 1 FIAF CCC[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 587410575 YJQGDLFAVQERNW-NRFANRHFSA-N 353.418 4.009 0 1 FIAF COC(=O)[C@@H](C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522781 HSTUFZHXDNKUHU-CMJOXMDJSA-N 364.441 4.235 0 1 FIAF O=C1C[C@@H](c2csc(Br)n2)Oc2c1ccc1c2CCCC1 587536703 ZLGFVJAQHQAZFD-AWEZNQCLSA-N 364.264 4.491 0 1 FIAF CC1(C)C[C@]2(C)O[C@@H]2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587609546 NJMDFHKUHXJPSM-GUMYABAYSA-N 366.413 4.070 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)cc(F)cc2F)N1 587723138 WACIKOBLQWONOD-QZTNRIJFSA-N 371.200 4.072 0 1 FIAF C=Cc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790196 IAYFSTSTTHQHCH-XYZCENFISA-N 364.262 4.060 0 1 FIAF CC(C)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)no1 587796789 QDROFTMTMSKSMT-JDNHERCYSA-N 353.235 4.323 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccc3cc[nH]c23)N1 587807783 XZZGGEICAIBBHX-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)N1 587827630 LICAKENWRCLZKK-GCJUSLNNSA-N 350.275 4.384 0 1 FIAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccccc2)c1O 587946560 WHOWDKJEBWAZMR-MRXNPFEDSA-N 360.316 4.189 0 1 FIAF O=C(Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1)C1CCCC1 653889653 ZFRIDMBTCHDVFS-UHFFFAOYSA-N 359.813 4.336 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCC3(CCCC3)C[C@@H]1CN)N(C(C)C)CC2 962092983 RPZRJADVBQJKKE-XXBNENTESA-N 356.554 4.476 0 1 FIAF COc1cccc([C@@]2(CCCCC(=O)O)NCCc3ccc(F)c(C)c32)c1 962295459 DSOXHCVOAQLSKJ-JOCHJYFZSA-N 371.452 4.177 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1[nH]c3nccc-3cc1Cl)N(C)[C@H](C)C2 962567778 JXDHJAIXSIDDSK-WYRIXSBYSA-N 371.868 4.151 0 1 FIAF C[C@@H](NC(=O)N1C(=O)C[C@H]1Sc1ccc(F)cc1F)c1ccccc1 1857573838 OKCBIQMGUWDPNS-PIGZYNQJSA-N 362.401 4.086 0 1 FIAF CC(=O)OC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]21C[C@H](c2ccoc2)O[C@@H]1O 2356330192 PMNBYUWBDASBNA-PLNUULIHSA-N 360.450 4.339 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C(C)=CCC=C(C)C)[C@H]2[C@H]3C(=O)C[C@H](OC[C@H]12)[C@H]3C 2356756234 KKDFVJMHBWOJRT-UMXAJVIHSA-N 360.494 4.097 0 1 FIAF O=C1c2nn(-c3ccccc3)nc2[C@H](c2ccccc2)N1c1ccccc1 5833910 KFCHUOBLEBHPLH-NRFANRHFSA-N 352.397 4.017 0 1 FIAF CCCCNc1c(C(=O)OCC)cnc2c1cnn2/C=C/c1ccccc1 13491860 USYDCSZZWAYUNH-ACCUITESSA-N 364.449 4.448 0 1 FIAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(=O)[C@H]1[C@H]2c1ccccc1 18098742 LKJTYRKPZBRMJH-CABCVRRESA-N 367.474 4.127 0 1 FIAF CCCc1nc(SC)ncc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 20557772 VIZIRLOVCFRNQH-BUBBNXEVSA-N 373.566 4.486 0 1 FIAF CN1[C@H]2CC[C@@H]1[C@H](COc1ccc3c(c1)OCO3)[C@H](c1ccc(F)cc1)C2 26577124 CUWDCKZGAWYXEX-IJXRJRJASA-N 369.436 4.200 0 1 FIAF O=C(O)CC[C@@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 27436630 FDRJVVCFFQVKEZ-MRXNPFEDSA-N 368.458 4.062 0 1 FIAF Cc1ccc(OCCCCCCN2CCN(c3ccncc3)C2=O)cc1 29401291 ATTBKJVVQFCPMK-UHFFFAOYSA-N 353.466 4.271 0 1 FIAF CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C1CCCCC1 44667949 SOSADZXKACRLDA-SFHVURJKSA-N 374.868 4.025 0 1 FIAF in-vitro COc1ccccc1N(C)CCNc1cc(C)nc(Nc2ccccc2)n1 45194231 RLHXWTVWEKXZTK-UHFFFAOYSA-N 363.465 4.086 0 1 FIAF O=C(NC1CC1)c1cnc(N2CCC(c3ccccc3)CC2)c(Cl)c1 45335107 DYYUYDOLSWDZBD-UHFFFAOYSA-N 355.869 4.011 0 1 FIAF CC(C)CCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1 66258330 SKHUMRSIWUJZLG-UHFFFAOYSA-N 351.494 4.006 0 1 FIAF COc1ccc(Nc2nnc3cc(-c4c(C)noc4C)cc(C)c3n2)cc1 96167714 BGVRDWFMIZTBBG-UHFFFAOYSA-N 361.405 4.357 0 1 FIAF Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1C(F)(F)F 96938276 SDRGRTBJJYYORH-UHFFFAOYSA-N 353.325 4.021 0 1 FIAF COC12CC3C[C@@H](C1)C(NCCNC/C=C(\C)CCC=C(C)C)[C@@H](C3)C2 101841399 DKSVVLHOQIFIEX-ZAUYMSHTSA-N 360.586 4.452 0 1 FIAF COc1ccc(-c2cccc3nc(Nc4ccc(NC(C)=O)cc4)nn23)cc1 142840016 QMXHHOCQGSUOIM-UHFFFAOYSA-N 373.416 4.107 0 1 FIAF CC(C)(C)CCNCc1ccc(Oc2ccc(C(N)=O)cn2)c(Cl)c1 145528269 LEFBOEHFDVTAIJ-UHFFFAOYSA-N 361.873 4.152 0 1 FIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccccc2)s1 169371631 KMHHAGQMYNMKGL-ARAMFETOSA-N 365.498 4.454 0 1 FIAF O=c1[nH]c(O)c(Cc2ccc(Oc3ncc(Cl)cc3Cl)cc2)s1 169722715 ZIAJZNSYBSHTMS-UHFFFAOYSA-N 369.229 4.227 0 1 FIAF O[C@@H]1CCCC[C@H]1NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 204410249 NTYZXTNKVFVCDZ-QZTJIDSGSA-N 350.384 4.161 0 1 FIAF COC(=O)Cc1ccc(OC)c(-c2c[nH]c3ncnc(-c4ccccc4)c23)c1 218984525 OQBZZSDJTOAVJM-UHFFFAOYSA-N 373.412 4.016 0 1 FIAF CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(COC(C)=O)cc2)c1F 220711116 PXNPFYZIPXRSEZ-MRXNPFEDSA-N 363.816 4.183 0 1 FIAF Nc1nc(-c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)c[nH]1 299833270 RDCYWWQIZUNDTJ-UHFFFAOYSA-N 364.302 4.069 0 1 FIAF Brc1cccnc1Nc1nnc(Cc2c[nH]c3ccccc23)o1 299871042 XQSCGMUSQQYLNX-UHFFFAOYSA-N 370.210 4.043 0 1 FIAF COc1cc(N2CC[C@@H](c3cccc(Cl)c3)C2=O)ccc1-c1cn[nH]c1 584629656 LFPHWGSDTGETCZ-SFHVURJKSA-N 367.836 4.259 0 1 FIAF Cc1cc(Br)ccc1OCc1nc2ccnc(Cl)c2[nH]1 586981516 QDQVHFVTALCYSG-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@]1(CCOC1)C3 586990485 FYMZICUCJOYRHI-QHCPKHFHSA-N 357.409 4.047 0 1 FIAF Clc1ccc2c(c1)C[C@H](c1nc3ccc(Br)nc3[nH]1)O2 587080448 NAZMNGGZCTVAJQ-LLVKDONJSA-N 350.603 4.050 0 1 FIAF Cc1cc(Br)cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c12 587153842 ANPDXWXBXPYZHK-YVEFUNNKSA-N 360.230 4.114 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc3cn[nH]c3cc2[nH]1 587201557 RZXFVRCWMVECST-UHFFFAOYSA-N 357.458 4.020 0 1 FIAF CCOC(=O)c1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2c1 587201588 SZSZUKGCLFKQSB-UHFFFAOYSA-N 353.422 4.095 0 1 FIAF COC(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587227218 WVMHWGAAXBZSGA-MRXNPFEDSA-N 373.453 4.106 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(F)c(F)cc2[nH]1 587235774 SHDXQHKTHNKPEQ-ZWNOBZJWSA-N 351.397 4.392 0 1 FIAF CN(C)CCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331117 ALSYMHUYNYHYMI-IFMALSPDSA-N 371.452 4.381 0 1 FIAF CCOC(=O)C[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587378707 OYRYOZAFGAFDAD-FQEVSTJZSA-N 373.836 4.045 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(F)(F)F 587382794 OHPKMONKZDWWKK-HNNXBMFYSA-N 367.323 4.191 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(F)ccc1O)O2 587384807 JBKMPCXPQYBMIW-JOCHJYFZSA-N 363.388 4.331 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3cncc(C)n3)c1)O2 587393492 HVYDRBBASAKWCB-IBGZPJMESA-N 361.401 4.174 0 1 FIAF CC[C@@H](C)n1nc(C)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417853 FFOZDXFMZHAHBQ-JOCSLMJGSA-N 360.841 4.313 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn3cc(C)ccc3n1)CC2=O 587492985 ZCWDGFGHJMWKOF-OAQYLSRUSA-N 350.418 4.181 0 1 FIAF C[S@](=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531572 HOXCDWFLPBPXQO-BWKNWUBXSA-N 354.471 4.183 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1C(F)F 587552409 ACCWFAANKRXHBK-CRAIPNDOSA-N 357.312 4.292 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc2cnccc12 587589221 WJJUKSNGAOPPOS-DENIHFKCSA-N 370.364 4.038 0 1 FIAF COc1cc(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587597962 ADLLOIFOHRJNOZ-KNQAVFIVSA-N 362.381 4.412 0 1 FIAF C[C@@]1(C2CCSCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620380 YSANCZODZPJFMF-PXNSSMCTSA-N 356.443 4.256 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(F)c2)N1 587726403 XBPZRLPSRUMSFE-ZKANADHPSA-N 354.194 4.057 0 1 FIAF CCCn1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587757990 WMRAQARTTVXQMB-DIFFPNOSSA-N 351.263 4.423 0 1 FIAF CCCCn1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587762438 DRPATHQQUPAZAE-GTNSWQLSSA-N 366.278 4.208 0 1 FIAF Cc1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587773898 RZBDBLUJUKJIQB-SGTLLEGYSA-N 363.274 4.284 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3ccccc32)N1 587798688 VITLSOXTEFPIQP-VOJFVSQTSA-N 361.258 4.182 0 1 FIAF O=C(O)c1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O 587946408 XRKJIYYSPIPFJW-UHFFFAOYSA-N 369.348 4.007 0 1 FIAF CC(C)C(=O)C[C@@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962641030 MXYXYWKZHAVTNL-QPPBQGQZSA-N 362.517 4.264 0 1 FIAF Cc1ccc([C@]2(CC(=O)C(C)(C)C)c3ccsc3CCN2C(N)=O)cc1 962694541 BGIMWGVWXUFFPS-OAQYLSRUSA-N 370.518 4.242 0 1 FIAF O=C(c1ccccc1)N1CCC(F)(F)[C@H](Oc2ccc3ccccc3n2)C1 1772641247 GREGEUCGFKPDRT-GOSISDBHSA-N 368.383 4.164 0 1 FIAF c1ccc(-c2n[nH]c(=NCc3ccc4c(c3)OCO4)c3ccccc23)cc1 1857571694 IBHJTJTWRDRRDX-UHFFFAOYSA-N 355.397 4.060 0 1 FIAF CC=C(NN=c1c(Cl)c(Cl)[nH]c(C(=O)O)c1Cl)c1ccccc1 1857622323 KWXCRWZWBFVDOG-UHFFFAOYSA-N 372.639 4.139 0 1 FIAF CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)noc2Cl)cc1 1857775299 ULMAJJOTJVKDIC-UHFFFAOYSA-N 351.786 4.205 0 1 FIAF Fc1ccc(CN2CCOC[C@@H]2c2ncc(-c3cccc(Cl)c3)[nH]2)cc1 2356322353 TYJRPXKTJJRFJD-LJQANCHMSA-N 371.843 4.443 0 1 FIAF CO[C@@H]1C=C(CC[C@]2(C)[C@H](C)CC[C@]3(C(=O)O)C(C)=CCC[C@@H]32)C(=O)O1 2356520809 ZSKQNYQQCWYYSU-KJLKHCSASA-N 362.466 4.086 0 1 FIAF C[C@H](C(=O)N[C@@H](CO)c1ccc(OCC2(C)CCC2)cc1)c1ccccc1 2382232064 QNTSXCJRXSEAAM-UWJYYQICSA-N 367.489 4.209 0 1 FIAF CC(C)NC1CCN(c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 12217786 JHLMREKDQMCTHV-SFHVURJKSA-N 365.521 4.144 0 1 FIAF COc1ccc(O[C@H](c2ccc(F)cc2)C2CCN(C(C)=O)CC2)cc1 13531012 FOLPBZAUAVVGMF-OAQYLSRUSA-N 357.425 4.213 0 1 FIAF O=C(O)CCCCCC[C@H]1C(=O)CC[C@H]1/C=C/[C@H](O)COc1ccccc1 14951551 NZGFSDWJUZOAAX-GLYXGSGASA-N 374.477 4.003 0 1 FIAF Cc1nc(-c2ccncc2)ncc1[C@H](C)NCc1ccc(Cl)c(F)c1 14975889 JMRGOSKUVHAMJK-LBPRGKRZSA-N 356.832 4.490 0 1 FIAF O=C(c1ccco1)c1nc2cc(C(F)(F)F)ccc2nc1C(F)(F)F 28861838 ZDNXKSJIEIBVFJ-UHFFFAOYSA-N 360.213 4.491 0 1 FIAF COC(=O)N[C@H](C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1 66252099 XZINCLNTAXQIEI-OAHLLOKOSA-N 358.438 4.338 0 1 FIAF CCOC(=O)[C@H]1CCCCN1Cc1coc(-c2cccc3ccccc23)n1 72101693 XGDGFFVJWVIQNZ-HXUWFJFHSA-N 364.445 4.412 0 1 FIAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccccc2)s1 100969796 KMHHAGQMYNMKGL-DVWXIZNQSA-N 365.498 4.454 0 1 FIAF Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4cccc(F)c4)c3C2)nc1 114995099 GJAUWURFLVNMPO-HNNXBMFYSA-N 363.440 4.055 0 1 FIAF Fc1ccc2c(c1)c1c(n2CCCOc2c(F)cccc2F)CCNC1 169350529 SOLXXFNNFIZFNT-UHFFFAOYSA-N 360.379 4.173 0 1 FIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169369355 RQTWPNKOATVIPT-XKPWIFIJSA-N 352.261 4.033 0 1 FIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714162 OKXWSKOAAFFTOJ-IBEPOWJWSA-N 372.553 4.127 0 1 FIAF O=C1c2cc(Cl)ccc2S[C@H]2c3[nH]c4ccc(O)cc4c3CCN12 220444270 ZAKBUQNTXSLPPL-SFHVURJKSA-N 356.834 4.330 0 1 FIAF COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(CO)=CC[C@H]1C(C)(C)CCC[C@@]12C 238742744 ZGAUBBFDXXEMAC-NASSWSRMSA-N 350.499 4.012 0 1 FIAF Cc1ccc(-c2cccc(C(=O)N[C@@H](CC(=O)O)c3ccccc3C)n2)cc1 261086075 COHUDWIXBJFWFD-NRFANRHFSA-N 374.440 4.311 0 1 FIAF CCc1cnc(-n2nc(OC(C)C)c(Oc3cc(F)ccc3F)c2C)nc1 299868507 RORXFYHFWBIFTD-UHFFFAOYSA-N 374.391 4.391 0 1 FIAF CC(C)(SCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)O 586959269 MRCNSRGVTIGEGO-UHFFFAOYSA-N 352.765 4.332 0 1 FIAF Cc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1Cl 586979217 UAKJWPDRLOAIQK-UHFFFAOYSA-N 353.651 4.149 0 1 FIAF Cc1nc(Br)sc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587011194 LZDYKMOFKPFTBW-UHFFFAOYSA-N 363.162 4.171 0 1 FIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(F)c(F)c2[nH]1 587042144 IMZXYDQUNUUHOR-GFCCVEGCSA-N 365.792 4.150 0 1 FIAF Cc1nn(-c2cccc(-c3nc4ccc(CO)cc4[nH]3)c2)c(C)c1Cl 587065309 NUURCICQWCKLHX-UHFFFAOYSA-N 352.825 4.178 0 1 FIAF Nc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1N 587151691 SXOOBNNRQJMDJR-IBGZPJMESA-N 366.371 4.174 0 1 FIAF Fc1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)nc1Br 587155735 QOIOQRIHFSBGHG-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF Cn1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587345197 YRSJYIXQQBXHJK-TZIWHRDSSA-N 351.377 4.144 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC(F)(F)F)c1F)O2 587381206 CVOBDFRRAIHJAO-AWEZNQCLSA-N 355.287 4.321 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(C)c1-c1ccccc1)CC2=O 587475038 KMPZPZYHKQHUMV-FQEVSTJZSA-N 362.429 4.452 0 1 FIAF Cn1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C(F)(F)F 587503844 DAJYGRMJMBQSOA-OAHLLOKOSA-N 350.340 4.024 0 1 FIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587553807 HLICDMOCVXCPEC-GHTZIAJQSA-N 366.344 4.243 0 1 FIAF CC(C)COc1cccc(OCc2nc3cc4c(cc3[nH]2)OCCCO4)c1 587565897 MMKKVCYWOFDOGB-UHFFFAOYSA-N 368.433 4.338 0 1 FIAF CCC1(CC)[C@H](OC)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601076 QKWHVFKVAPJNCD-JBYIUTFZSA-N 368.429 4.318 0 1 FIAF CC(C)O[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587602510 YEVBFZGLFIBFEA-JBYIUTFZSA-N 368.429 4.316 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc3cnccc23)N1 587780250 ZOCUUGHKDBUVHC-MLCYQJTMSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCC2CCOCC2)N1 587835501 PEVPJRNJOAEURS-DIFFPNOSSA-N 356.279 4.370 0 1 FIAF O=C(O)/C=C/C=C/c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 587967822 JPNUWHXTVVUZCD-ZPUQHVIOSA-N 350.218 4.255 0 1 FIAF Cc1cc(C)c([C@]2(C)NC3(CC3)Cc3ccc(Br)cc32)c(O)n1 961314770 ANAQMGJWAFAQBV-GOSISDBHSA-N 373.294 4.108 0 1 FIAF NC(=O)N1CCc2sccc2[C@H]1c1cccc(-c2ccc(O)cc2)c1 962714796 VQLVUQWHQDCSSZ-LJQANCHMSA-N 350.443 4.147 0 1 FIAF CC1(C)CC(N=c2ccc(-c3cccc4ccccc34)n[nH]2)CC(C)(C)N1 1857649459 APMDQRMRXAZMDY-UHFFFAOYSA-N 360.505 4.440 0 1 FIAF c1ccc(CN=c2[nH]ccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1 2382221684 UKIOKOMJEMUKSH-UHFFFAOYSA-N 366.428 4.284 0 1 FIAF Cc1c(-c2ccc3nc[nH]c3c2)ccc2c3ocnc3c(=O)n(C3CC3)c12 2382249177 GEBKBEQEPDMOBE-UHFFFAOYSA-N 356.385 4.329 0 1 FIAF CC(=O)N[C@@](C)(c1ccccc1)c1nc(-c2cc(F)cc(F)c2)cs1 61896065 XLCPJZXNOFKNKO-IBGZPJMESA-N 358.413 4.488 0 3 FIAF O=C(O)[C@@H]1CCCN(CCOCCC(c2ccccc2)c2ccccc2)C1 3796852 DEGMILQNXHRUSN-OAQYLSRUSA-N 367.489 4.022 0 1 FIAF C[C@H](CO)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1 13528402 NPHRPHMHAOPRTH-CYBMUJFWSA-N 362.408 4.224 0 1 FIAF COc1c(-c2ccccc2)oc2c(c(OC)c(OC)c3occc32)c1=O 14822189 DESYRLMOSLWIGY-UHFFFAOYSA-N 352.342 4.232 0 1 FIAF biogenic COc1cc(O)cc2oc(=O)c(-c3ccc4c(c3O)C=CC(C)(C)O4)cc12 15261711 RVMQSBYTVFSIMB-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF biogenic CC1(C)CC(C)(C)c2nc(C(=O)Nc3cc(C(=O)O)ccc3Cl)cnc21 26820988 OQRWUAFOLNDNMG-UHFFFAOYSA-N 373.840 4.039 0 1 FIAF Nc1ccc(/C(=C2\C(=O)Nc3ccccc32)c2nc3ccccc3[nH]2)cc1 84742095 VFBOYTHEVIYGOD-FMQUCBEESA-N 352.397 4.056 0 1 FIAF CC[C@@H]1C(=O)O[C@H]1[C@@H](C)C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@H](C)CC 100152258 UNBMQQNYLCPCHS-VYNDPHDASA-N 352.515 4.159 0 1 FIAF in-vitro CCCCC[C@H](O)/C=C\[C@@H]1[C@H]2CO[C@@H](C2)[C@@H]1C/C=C\CCCC(=O)O 100309673 DJKDIKIDYDXHDD-UEUUKYABSA-N 350.499 4.336 0 1 FIAF in-vitro COc1cccc2c1[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1CC2 100620725 YEFMXZXPHZARAI-AZUAARDMSA-N 360.457 4.288 0 1 FIAF Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)C(C)(C)C)cn3)ccc12 103176930 CHKPJKNOEGPFSG-UHFFFAOYSA-N 352.390 4.273 0 1 FIAF CN(C(=O)c1ccccc1)[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169322537 CBKITFXAXRCKLT-UWJYYQICSA-N 359.473 4.002 0 1 FIAF CC(C)C[C@H]1C[N+]2=C(NC[C@H]2C2CCCCC2)N1CC1CCC(C)CC1 169721183 YUFCTXRFOLKQOF-NZUHHQEFSA-O 360.610 4.464 0 1 FIAF CN1CC=CCCOc2cc(ccn2)-c2ccnc(n2)Nc2cccc(c2)C1 299815213 GILWXCHDCXNXEJ-UHFFFAOYSA-N 373.460 4.053 0 1 FIAF Cc1ccc2c3c(cc([C@@]4(Cl)CCOC4=O)nc13)-c1ccccc1C2=O 586993316 JZTPETVSUOUOFE-NRFANRHFSA-N 363.800 4.136 0 1 FIAF Brc1n[nH]c2ccc(-c3nc4ccc5ncccc5c4[nH]3)cc12 587006236 BHYBHZZYGFVTCT-UHFFFAOYSA-N 364.206 4.417 0 1 FIAF Fc1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1Cl 587006280 CQLWKGGEIMSQTN-UHFFFAOYSA-N 365.593 4.433 0 1 FIAF N[C@@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1ccccc1Cl 587057723 QSJLCHLCPZMLQH-LBPRGKRZSA-N 368.637 4.360 0 1 FIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(Cl)ccnc3[nH]2)c1 587240972 SWSBQCTTXWPYHU-UHFFFAOYSA-N 360.801 4.331 0 1 FIAF COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587508505 WCQKSDPUIGRRDK-IBGZPJMESA-N 354.377 4.198 0 1 FIAF CN(C)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570103 HZRUJUALHINXPB-KNQAVFIVSA-N 361.397 4.161 0 1 FIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)cc1O 587605911 BOHCJRXKLSIGRJ-DENIHFKCSA-N 362.381 4.418 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)C(F)F)N1 587708164 XZISKMJSTOUMSE-PWCHPLFNSA-N 358.148 4.238 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(F)c2)N1 587733844 SPVITEXAZMPORY-VPTHRUTESA-N 354.194 4.057 0 1 FIAF Cc1c(Br)cnc2[nH]c(COC/C=C\c3ccccc3)nc12 587781594 XIXTYJSMVJOMFL-YVMONPNESA-N 358.239 4.259 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3c[nH]nc23)N1 587791627 GQMQSJDNZXFRRO-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2)N1 587826297 AASPKCMUCASAIS-BMLIUANNSA-N 350.231 4.092 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCCC2OCCO2)N1 587832916 LJMFPVCLFUWKSR-SMDDNHRTSA-N 372.278 4.097 0 1 FIAF Cc1nc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587856106 XYCXVYYPRFUOQM-GLEZIHRCSA-N 355.276 4.151 0 1 FIAF CC(C)(C)CC[C@@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705448 NRDFZVKRPWUDKF-WMLDXEAASA-N 361.379 4.485 0 1 FIAF Cc1cccc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962970265 FZPJWCKEOBOVBH-DNVCBOLYSA-N 365.807 4.097 0 1 FIAF NC(=O)CCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1772576965 DXWZVFVVTXCSLQ-UHFFFAOYSA-N 371.651 4.169 0 1 FIAF Cc1cc(-c2sc(Cc3cccc(N(C)C)c3)nc2C)ccc1C(N)=O 1772599993 CYFLUBIPEWFQHS-UHFFFAOYSA-N 365.502 4.183 0 1 FIAF Cc1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(CO)c34)cc2)c1 1772614279 PIBOHFLFTZMJME-UHFFFAOYSA-N 373.416 4.070 0 1 FIAF c1cncc(N=c2[nH]oc3cccc(OCc4nc5ccccc5o4)c23)c1 1857760431 LMWYDGKICIVJKL-UHFFFAOYSA-N 358.357 4.109 0 1 FIAF CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CCC(C)C 2356814013 BWTHSEGPIRFIID-LJQANCHMSA-N 362.514 4.272 0 1 FIAF CN(C)Cc1csc(NC(=O)Nc2ccccc2Cc2ccccc2)n1 61928177 WPMDKNANZGOFDT-UHFFFAOYSA-N 366.490 4.440 0 3 FIAF COc1ccc(/N=c2\[nH]ccc3[nH]c(-c4ccc(C)cc4)nc23)cc1OC 74386770 AOTDZSFANBHQJI-UHFFFAOYSA-N 360.417 4.116 0 3 FIAF Nc1nc(-c2ccc(Br)o2)c2c(n1)-c1cc(Cl)ccc1C2 28124748 HTVBGLRSVNFFBF-UHFFFAOYSA-N 362.614 4.306 0 1 FIAF COc1nc2nccnc2c(NCC(C)C)c1-c1c(F)cc(F)cc1F 103166717 QFPJVMUAHBJENP-UHFFFAOYSA-N 362.355 4.186 0 1 FIAF CN[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 25977351 CRQMEYFYUWHDBW-DEOSSOPVSA-N 363.870 4.022 0 1 FIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccs2)C2=C(O)CCCC2=N1 103912851 VZOPGLBSALAYRG-BFUOFWGJSA-N 373.474 4.279 0 1 FIAF O=C(O)c1c2c(nc3ccc(F)cc13)-c1cnc(-c3ccccc3)nc1CC2 26840312 MVAYUOFWPROCBG-UHFFFAOYSA-N 371.371 4.295 0 1 FIAF O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)c1ccncc1F 116815684 ZGOGOEHAPKNVDW-UHFFFAOYSA-N 362.408 4.414 0 1 FIAF COc1cc(OC)cc(-c2cc3c(Nc4cccnc4)nccc3n2C)c1 74386901 NDIPQNPTDYFJPL-UHFFFAOYSA-N 360.417 4.396 0 1 FIAF CN(C)Cc1ccccc1CNCCNc1ccnc2cc(Cl)ccc12 45387857 AUFYSQQHVCPBFX-UHFFFAOYSA-N 368.912 4.152 0 1 FIAF CC[C@@H](C)NC(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1F 82152337 LDJSSUUDLUYQCA-CYBMUJFWSA-N 356.445 4.166 0 1 FIAF O=C1CC2(CCN(Cc3cscn3)CC2)Oc2c1ccc1c2CCCC1 587535154 IPUKPLWGGHLNCW-UHFFFAOYSA-N 368.502 4.022 0 1 FIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cnc5ccccc5c4[nH]3)cc2N1 587124801 OMSVOPIIFKRNAR-YMTOWFKASA-N 372.354 4.282 0 1 FIAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(F)cc2[nH]1 586984503 RQAABGGRSGGXLM-LBPRGKRZSA-N 368.637 4.360 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn3ccccc3n2)N1 587776978 ZQXQLQMPWKWWKL-BBATYDOGSA-N 374.257 4.034 0 1 FIAF CCOc1ccccc1OCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587779731 GCOGSSVYJVONHX-UHFFFAOYSA-N 374.444 4.372 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC[C@@H]3CO3)cc1)CC2=O 587482170 CDUSPBQCARFUSJ-ZHRRBRCNSA-N 368.429 4.003 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc3nc(C)ccc3c2[nH]1 586963410 MZTLOVZSKKTYKX-OAHLLOKOSA-N 365.462 4.467 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1OC(F)(F)O3)CC2=O 587466456 NXBPODXBLWWMCD-MRXNPFEDSA-N 362.328 4.373 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1scnc1Cl 587619758 VAJBINZNDUYNHX-DOMZBBRYSA-N 359.790 4.205 0 1 FIAF CCC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815695 OXTXOXRJSNAJCE-BMLIUANNSA-N 354.263 4.097 0 1 FIAF O=C1CCC(c2ccccc2)(c2nc3cc(Br)cnc3[nH]2)CC1 587971187 VWZVGRRVNROXPW-UHFFFAOYSA-N 370.250 4.150 0 1 FIAF Cc1cc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(C)n1C 962645883 YRYAUWBWELEEOZ-WIOPSUGQSA-N 371.528 4.478 0 1 FIAF CC(=O)C12CC([C@@]3(C)c4cccc(F)c4CCN3[C@H]3CCSC3)(C1)C2 962693815 DLHRVXHOMLWNPH-GNWVLIGWSA-N 359.510 4.164 0 1 FIAF Cc1cc2c(cc1O)[C@@H](c1sc3ccccc3c1Cl)N[C@H](C(=O)O)C2 963493049 VAXWWTLCVDPSIJ-GUYCJALGSA-N 373.861 4.257 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cn(CCF)c2ccccc12 963634138 JQVDMMWKPAOXPH-RCDICMHDSA-N 368.452 4.252 0 1 FIAF CCCOc1ccc2c(c1)CCN(Cc1ccc([C@@H](C)NC(C)=O)cc1)C2 1772570050 IWCOSMSNEOYGHC-QGZVFWFLSA-N 366.505 4.231 0 1 FIAF CCOc1ccc(Oc2ccc(-c3noc([C@H](C)NC(C)=O)n3)cc2)cc1 1772607249 YSFYOQBZOGUUIX-ZDUSSCGKSA-N 367.405 4.125 0 1 FIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC)[C@@H]2c1cccs1 13147143 PEJUFXBTQZXJLD-KBVGCWLLSA-N 363.464 4.010 0 1 FIAF aggregator COc1ccc(C(=O)c2cn(C[C@H]3CCCCN3C)c3ccccc23)cc1 13781965 VFWLFYIKEQOJRN-GOSISDBHSA-N 362.473 4.365 0 1 FIAF O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](O)CCc1ccccc1 13831744 MTZGIHMVCMUKMC-OAHLLOKOSA-N 357.759 4.291 0 1 FIAF Cc1nc(-c2ccccc2)sc1COc1ccc(OCC(=O)O)c(F)c1 1857539041 JSCZYYKEOGVEBB-UHFFFAOYSA-N 373.405 4.300 0 1 FIAF COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@@H](C2)N(C)CC3 1857614902 QCXMWEJEZDJYLD-OAHLLOKOSA-N 374.278 4.218 0 1 FIAF C[C@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O 2965501 OEMHLCKSDXYQTM-LLVKDONJSA-N 355.850 4.252 0 1 FIAF COc1ccc(/C(F)=C(/F)c2cc(OC)c(OC)c(OC)c2)cc1O 6733318 NKLVCDSGWUCIPR-MSUUIHNZSA-N 352.333 4.191 0 1 FIAF COc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1)C[C@@H]2O 14762586 VLWJOYMOYMWONM-WMZOPIPTSA-N 356.418 4.172 0 1 FIAF biogenic COc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1 14945207 NGGYTYVBQXNVTI-UHFFFAOYSA-N 373.412 4.250 0 1 FIAF c1cc(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)[nH]n1 34095481 UNXMMFNRDHRUHR-UHFFFAOYSA-N 360.461 4.217 0 1 FIAF Cn1cc([C@H](CN)Oc2cncc(/C=C/c3ccncc3)c2)c2ccccc21 45286759 LRGLASTUFMCSKF-YQTDCCHMSA-N 370.456 4.218 0 1 FIAF COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(Cl)cc4)CC3)c12 53295513 HYRBVOGJRAFDLT-UHFFFAOYSA-N 370.880 4.314 0 1 FIAF COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)cc3)c2=O)cc1 66156429 UQKQKXOUMICWBI-UHFFFAOYSA-N 356.809 4.054 0 1 FIAF O[C@H](CNCc1ccccc1Cl)Cn1c2c(c3ccccc31)CCCC2 73170068 QONUHSGPJOQUFA-QGZVFWFLSA-N 368.908 4.324 0 1 FIAF COc1cc(CCNc2cncc(Oc3ccc(F)cc3)n2)cc(OC)c1 82068531 VZNLJDSREUKXCT-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF C=CC1=C(C(=O)Nc2ccc(OCC)cc2)[C@H](c2ccc(OC)cc2)OC1 82157859 UMJBVNWXGIBYBR-NRFANRHFSA-N 365.429 4.287 0 1 FIAF Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccccc2)sc1C 82162805 PMZAMZLUDLYCEW-INIZCTEOSA-N 366.490 4.475 0 1 FIAF O=C(Cc1nc(C(F)(F)F)cs1)c1cc(Oc2cccnc2)ccn1 96178158 GCGGWNHVBILQJM-UHFFFAOYSA-N 365.336 4.170 0 1 FIAF Cc1nn(-c2ccc(Br)cc2)c2c1c(=O)oc1ccccc12 96928584 FAPYQKGKSVFQMX-UHFFFAOYSA-N 355.191 4.203 0 1 FIAF O=C(Nc1cccc(CF)n1)c1cc(Cl)cc(Oc2cncnc2)c1 96939138 AJEKYVPZXSBGDG-UHFFFAOYSA-N 358.760 4.039 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@H](O2)[C@H]1C/C=C\CCCC(=O)O 101201210 IWSCITFBDCQRGG-NZHXDDJXSA-N 350.499 4.479 0 1 FIAF C[C@H](NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)C1(C)CC1 167017788 PWYXPDSKZHIDIQ-HNNXBMFYSA-N 363.461 4.153 0 1 FIAF O=C(O)c1ccccc1/C=C\c1nc2cc(Br)cc(F)c2[nH]1 586880757 RPLKPSAZCGTCRD-WAYWQWQTSA-N 361.170 4.333 0 1 FIAF Cc1nc2[nH]c(-c3ccc4c(c3O)CCCC4)nc2cc1Br 586898136 MLSUCQSNDXVQRL-UHFFFAOYSA-N 358.239 4.280 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4CC[C@@H](O)CC4)[nH]c3c2)cc1 586898936 LMVYAWHWTWWZER-OTVXOJSOSA-N 366.417 4.160 0 1 FIAF CCn1cc(Br)c(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)n1 587001425 XYIZSXOEIDFCGF-UHFFFAOYSA-N 373.176 4.151 0 1 FIAF CCCc1sc(=N)[nH]c1-c1nc2cc(C)c(Br)cc2[nH]1 587012580 CLWPDDACPJMJBE-UHFFFAOYSA-N 351.273 4.122 0 1 FIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c3c(ccc2[nH]1)CCCC3 587039864 WHPXYFHFGLQGIY-UHFFFAOYSA-N 371.466 4.307 0 1 FIAF O=C(NCc1nc2ccc3ncccc3c2[nH]1)c1cccc(C(F)(F)F)c1 587110737 AUYQXXQBZMLPSH-UHFFFAOYSA-N 370.334 4.060 0 1 FIAF CCCOc1cc2nc([C@H](C(C)C)N(C)C)[nH]c2cc1Br 587199187 YWSMGLQCEPMCRO-HNNXBMFYSA-N 354.292 4.373 0 1 FIAF C[C@@]1(c2cncc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340694 YULRHEQEBMJNBU-FPOVZHCZSA-N 367.351 4.340 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@H](C(=O)OCC)c1ccccc1)CC2=O 587479354 ICEIVXJSOYVJJT-VQTJNVASSA-N 368.429 4.025 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(C)=O)c(C)nc1C)CC2=O 587485605 IZQVEQXURMOKEL-QFIPXVFZSA-N 367.445 4.440 0 1 FIAF O=C1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2N1 587503387 DXXWWXWXJLAKSS-QFIPXVFZSA-N 365.404 4.298 0 1 FIAF Cc1cccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514917 XOCDFGLXLORDCN-QFIPXVFZSA-N 364.445 4.022 0 1 FIAF CNc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587743011 MWLHWSBWKCRCTO-ZMZPIMSZSA-N 363.274 4.428 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCC[C@@H](C)C2)N1 587760140 ISAXLRJKMUSGEY-VBHSOAQHSA-N 369.322 4.070 0 1 FIAF Cc1ccc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2c1 587776954 ZHSRPVWDPQJYHC-VOJFVSQTSA-N 374.257 4.168 0 1 FIAF COCc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587802460 SFIHCTVAYYYJNP-BBATYDOGSA-N 364.258 4.358 0 1 FIAF CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1OC 587937823 WBRLGAHFTYACDT-UHFFFAOYSA-N 369.259 4.175 0 1 FIAF COc1ccc2c(c1OC)[C@H](c1cnc(C(F)(F)F)s1)N(C)[C@H](C)C2 962571055 ONPXDLIAFWXVBP-OTYXRUKQSA-N 372.412 4.145 0 1 FIAF CCN(c1ccc(NC(=O)c2c(C)noc2-c2cc(C)on2)cc1)C(C)C 1857555489 IMBNQDUCKAJZPD-UHFFFAOYSA-N 368.437 4.433 0 1 FIAF Clc1ccc(-c2nc3ccc(C4CC4)cn3c2CN2CCOCC2)cc1 1857651361 NZZCXCBISCYYSL-UHFFFAOYSA-N 367.880 4.364 0 1 FIAF COc1cc2c(cc1OC)/C(=C\CCCN(C)Cc1ccccc1)OC2=O 1911580634 UOPVONHLTYASBY-YBFXNURJSA-N 367.445 4.127 0 1 FIAF COc1cccc(-c2cc3c(Nc4ccc(OC)nc4)nccc3n2C)c1 74386972 CHIWNKUHQDULTO-UHFFFAOYSA-N 360.417 4.396 0 3 FIAF C[S@](=O)c1ccc([C@@H](Nc2nccs2)C(=O)c2ccc(F)cc2)cc1 12352386 QGDUYZMBLKACFR-PUAOIOHZSA-N 374.462 4.056 0 1 FIAF CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(Cl)cc2)cc1 13686062 DVVRFOFXTWNJKJ-UHFFFAOYSA-N 353.857 4.136 0 1 FIAF COc1ccc(C[C@H](C)[C@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC 14646597 JHEXMPZEYDIRNZ-AYSMAOOMSA-N 374.477 4.269 0 1 FIAF biogenic,in-vitro C[S@](=O)C[C@H]1[C@H]2CC[C@@]3(CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C2)[C@@H]1O 40567923 QGAOIJGCBCMUAF-ZYHFLZDESA-N 352.584 4.385 0 1 FIAF Cc1ccc(S(=O)(=O)n2c(=S)[nH]c3ccc(Cl)cc32)cc1C 45369500 XGUKQJNTBMFLGV-UHFFFAOYSA-N 352.868 4.206 0 1 FIAF COc1cc2oc(=O)cc(-c3cnc4ccccc4c3)c2c(OC)c1OC 45505793 OZTXTSRRQXXPAX-UHFFFAOYSA-N 363.369 4.034 0 1 FIAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCN1CCOCC1 72124702 XKTXYERIMLVMSP-OAQYLSRUSA-N 369.896 4.127 0 1 FIAF CCCc1nc2c(NCc3ccccc3)ncnc2n1CCc1ccccn1 82178656 UFRGPCFBPHBZSZ-UHFFFAOYSA-N 372.476 4.029 0 1 FIAF COc1ccc(SC[C@H](O)Cn2c(C)c(C)c3ccccc32)c(OC)c1 84687483 FZYCLMGWYULUGK-MRXNPFEDSA-N 371.502 4.429 0 1 FIAF Cc1ccn2c(CN(C)C)c(-c3cccc(Br)c3F)nc2c1 103211643 YWNRPEXEKHLCHE-UHFFFAOYSA-N 362.246 4.273 0 1 FIAF O=C(Nc1cc(Cl)ccc1-c1ccc(O)cc1)c1cnn2cccnc12 113651761 LOOBQCAAEITKOJ-UHFFFAOYSA-N 364.792 4.008 0 1 FIAF COc1ccc(C2=NN(c3nc(O)cs3)[C@H](c3ccccc3)C2)cc1 169726251 WWCVASMHBCZNKQ-KRWDZBQOSA-N 351.431 4.213 0 1 FIAF CC(C)[C@H](CO)NCc1nc(-c2ccc(F)c(C(F)(F)F)c2)ccc1F 204412737 AAQQNPCBUGORJX-KRWDZBQOSA-N 374.353 4.152 0 1 FIAF C[C@H]1c2c3c(c(Cl)c(Cl)c2C(=O)[C@@H]1C1CCCC1)O[C@@H](C(=O)O)C3 299818066 DQFOSDZUPRONCV-ONOSFVFSSA-N 369.244 4.488 0 1 FIAF Cc1cncc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586961540 VVHOCPDYLQJTTC-AREMUKBSSA-N 361.470 4.305 0 1 FIAF Cc1onc(-c2nc3ccnc(C)c3[nH]2)c1COc1ccccc1Cl 587062845 BHFIHNSLNCKDDJ-UHFFFAOYSA-N 354.797 4.462 0 1 FIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587241428 BMBVRYMYMWQEST-UHFFFAOYSA-N 365.433 4.376 0 1 FIAF CC[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 587393019 FOVCKQJKDQVGRW-LHSJRXKWSA-N 374.481 4.091 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(Oc3ncccn3)c1)O2 587393954 ONDXHFAWPFTRMG-OAQYLSRUSA-N 361.401 4.040 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1cnccc1C)CC2=O 587489385 LWADDPOCAPXDGX-QHCPKHFHSA-N 374.440 4.352 0 1 FIAF O=C1CC(C2CCOCC2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 587536990 ZYJPRLLIMDZAPK-UHFFFAOYSA-N 370.489 4.123 0 1 FIAF Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587547446 SRAZVPXIPRKVLH-XLIONFOSSA-N 367.788 4.331 0 1 FIAF Cc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587610969 HPJAVLSWOFTJJW-UZLBHIALSA-N 367.426 4.343 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(F)c32)N1 587738223 LOKHVYUBNLIIGI-YPMLDQLKSA-N 364.233 4.451 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ocnc3c2)N1 587779256 XALBVYIOFWCXAL-XLFHBGCDSA-N 361.214 4.353 0 1 FIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587784731 IMJLVZXUHOGQHD-NXEZZACHSA-N 364.298 4.063 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccncc23)N1 587801681 HTJDFOYKWHXKTG-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccnc23)N1 587808581 ZSBUMXNLKFBZSY-JDNHERCYSA-N 360.230 4.088 0 1 FIAF CC(=O)CC[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814902 WRFJWAQQCPBEQJ-APPDUMDISA-N 356.279 4.343 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(OC)cc1 587873356 ZONWZTILJZMDSM-UHFFFAOYSA-N 371.437 4.342 0 1 FIAF C[S@@](=O)c1ccc([C@H](NC2CCC2)c2cc3cccnc3[nH]2)cc1Cl 653780333 BNOICVBXGBGNOO-AVRWGWEMSA-N 373.909 4.185 0 1 FIAF Cc1cc2c(cc1F)[C@](C)(CCCCNC(=O)OC(C)(C)C)NCC2 962144448 LAHFEBZFGMGZBM-FQEVSTJZSA-N 350.478 4.190 0 1 FIAF COC(=O)[C@@H]1C[C@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963115126 ZMPPDFALMSCASY-KUHUBIRLSA-N 362.256 4.043 0 1 FIAF CCCNc1nc(NCc2ccc(OC)c(OC)c2)c2ccccc2n1 1772576837 VZCLQGIAEJZYJS-UHFFFAOYSA-N 352.438 4.081 0 1 FIAF CCCCNC(=O)Nc1ccc(-c2nonc2-c2ccc(F)cc2)cc1 1772631714 FIVPHLPUVGVXRE-UHFFFAOYSA-N 354.385 4.464 0 1 FIAF CCOP(=O)(OCC)[C@@H](Nc1ncccn1)c1c[nH]c2ccccc12 1857764688 TUJLSCUQLCOLBN-MRXNPFEDSA-N 360.354 4.335 0 1 FIAF COc1cc(C)cc2c(-c3ccc4c(c3)[C@@](C)(O)N[C@@H](C)C4)ccc(O)c12 2356570456 JEHKHSWADGIQQX-LFVRLGFBSA-N 363.457 4.229 0 1 FIAF CCOc1ccc(-c2nnc3n2N[C@@H](C=Cc2ccccc2)S3)cc1 2356844484 NVPBDTXWXKSCKX-QGZVFWFLSA-N 350.447 4.033 0 1 FIAF COc1ccc(CN2CC[C@@H]3CC(=O)N(C4CCCCC4)CC[C@H]3C2)cc1 2356852151 QNPDLYDWRHUYDD-UXHICEINSA-N 370.537 4.088 0 1 FIAF c1ccc(-c2ccc(CN3Cc4ccccc4-n4nncc4C3)cc2)cc1 61924093 CEHIHNMSRDYIKB-UHFFFAOYSA-N 352.441 4.450 0 3 FIAF Cc1ccc(-c2cnn(C(C)(C)C(=O)NCCc3ccccc3)c2)c(C)c1 74387527 ZLXIYBHVAICHKB-UHFFFAOYSA-N 361.489 4.261 0 3 FIAF CC(=O)[C@@H]1[C@@H](N2CC2)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1639701 AJTIMAJVSIBUNA-XWRAWWFBSA-N 355.522 4.018 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 4049881 IXVBSMCQCSRJDQ-IEBWSBKVSA-N 374.843 4.487 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4207464 CEILEWKBAJAXQO-WBVHZDCISA-N 362.882 4.410 0 1 FIAF CC[C@H](CO)Nc1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C 13795078 ZLBWRKDGEWTLOL-GOSISDBHSA-N 366.509 4.454 0 1 FIAF COc1cc(CNC(=O)/C=C/c2ccc(-c3ccccc3)cc2)ccc1O 13832544 ZZRNZMSHAUGUIU-GXDHUFHOSA-N 359.425 4.397 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 13863444 NDVMSTHWOUOSMI-QZTJIDSGSA-N 364.445 4.261 0 1 FIAF CCN1CCC(COC(=O)C(C)(c2ccccc2)c2ccccc2)CC1 43123099 NBWAPMDXYZPEQG-UHFFFAOYSA-N 351.490 4.268 0 1 FIAF CCCc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC(C)C)n2)cc1 82195870 CCEJAXDCVRGERE-SFHVURJKSA-N 357.523 4.256 0 1 FIAF CSc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 95553036 HITRDHOZMYOHCH-ROUUACIJSA-N 363.486 4.023 0 1 FIAF Cc1ccncc1N1CCN(c2ccc3nc(Cl)cc(C)c3c2)C1=O 147208656 BKZMPSSJZDOLEJ-UHFFFAOYSA-N 352.825 4.347 0 1 FIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cc(Cl)cc(Cl)c1 169369424 ILHUURNQKXQSLQ-RHLFLFIJSA-N 352.261 4.033 0 1 FIAF S=C(Nc1ccccc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 504314327 KVDDNZXYTULNOJ-MMKMLUHNSA-N 367.562 4.278 0 1 FIAF biogenic Nc1ccnc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc12 586974702 GDQKXTJEJANLDF-UHFFFAOYSA-N 358.026 4.276 0 1 FIAF O=C(O)c1cc(F)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587021257 HDLGAJJIRYMXDA-UHFFFAOYSA-N 353.378 4.115 0 1 FIAF Fc1c(F)c(F)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1F 587075571 FETCGTYWWDQOPU-VIFPVBQESA-N 369.705 4.390 0 1 FIAF C[C@@]1(c2ccns2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370324 AGXIKQBRHCHGAD-HKUYNNGSSA-N 355.390 4.262 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1ccccc1Cl)O2 587378446 OPUPWAZYUUNCCY-SFHVURJKSA-N 367.836 4.338 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)n(C)c4ccccc14)[C@@H](C2)C3=O 587422963 RWAWQCQJCDJDRB-DJJJIMSYSA-N 353.805 4.329 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(OC)ccc4s1)[C@@H](C2)C3=O 587454169 VMOVGUCZUGKASI-VBKZILBWSA-N 352.411 4.407 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(Br)s1)CC2=O 587494100 ICUCIQKRGYYLQN-GFCCVEGCSA-N 368.252 4.270 0 1 FIAF C/C(=C\[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587513618 SPWLQCKULZVHOY-LKVFMFGUSA-N 362.473 4.287 0 1 FIAF O=C1C[C@@](Cc2cnccn2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587516008 SXLZVBUULBMHPT-DEOSSOPVSA-N 370.452 4.459 0 1 FIAF O=C1C[C@H](c2ccc(N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 587519284 XTZKXUYYWFPKSM-JOCHJYFZSA-N 363.457 4.109 0 1 FIAF CCC(C)(C)c1ccc(OCc2nc3c(S)nc(S)nc3[nH]2)cc1 587565449 IOPMGAVZLFVEBQ-UHFFFAOYSA-N 360.508 4.197 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(O)cc1 587609690 OYDYGHWOWYNLNP-QUCCMNQESA-N 362.381 4.061 0 1 FIAF CCn1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587754195 DGUNSNCWYBTEMG-HUTHGQBESA-N 366.278 4.045 0 1 FIAF COCC[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587796430 SVEHQZGJFHROAL-BNLOLNQZSA-N 356.279 4.154 0 1 FIAF CCCC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815567 NTWBSSOPQVAJQS-VOJFVSQTSA-N 368.290 4.487 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3C[C@H]2CCC3=O)N1 587825468 DSXLKRICURVCMU-DWSVRVFQSA-N 366.274 4.097 0 1 FIAF Cc1cc(O)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587835499 XOLICIDYJMRHAV-ADLMAVQZSA-N 364.258 4.400 0 1 FIAF Cc1nn([C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1Cl 587873473 BZDCSUCEGTZWCA-JTQLQIEISA-N 360.776 4.163 0 1 FIAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587950622 DIGOMRWUAFVCKY-LBPRGKRZSA-N 359.385 4.187 0 1 FIAF COc1cccc2cc3c(nc12)[C@@H](c1cnc2c(F)cc(C)cc2c1)NCC3 963036961 QHHWUSDBRWLUPG-JOCHJYFZSA-N 373.431 4.474 0 1 FIAF Cn1ccnc1[C@H]1c2c(nc3c(c2N)CCC3)Oc2ccc3ccccc3c21 1857604913 LQKOLOVDRSUSNU-LJQANCHMSA-N 368.440 4.325 0 1 FIAF COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(OC)cc4)ccc32)cc1 1857772983 ZWDBSNBFEXUFLT-UHFFFAOYSA-N 373.408 4.100 0 1 FIAF CCO[C@@]1(C)CC[C@@]2(C(C)C)C=C[C@](C)(O)CCC=C(CO)CC[C@H]1O2 2356792430 JSGGKVVSVXAZPO-YUMYIRISSA-N 366.542 4.155 0 1 FIAF CC[C@@]1(c2ccccc2OC)ON(c2ccccc2C(F)(F)F)C1=O 36387697 AVRZUCDRTVKLQM-KRWDZBQOSA-N 351.324 4.298 0 3 FIAF Cc1nc2cnccc2n1CCCO[C@@H]1CC[C@@H](c2ccc(F)cc2)O1 3801624 DPLGULRGBPMLCH-PMACEKPBSA-N 355.413 4.163 0 1 FIAF O=C(O)CC[C@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 27436625 FDRJVVCFFQVKEZ-INIZCTEOSA-N 368.458 4.062 0 1 FIAF COc1c(C)cc2c(c1C)[C@@H]1CN(C(=O)OCc3ccccc3)CC[C@@H]1N2 28572661 WHXLUKKUHMVSGR-MSOLQXFVSA-N 366.461 4.232 0 1 FIAF COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(C(F)(F)F)nc3)c1C2 28954413 VXCIMFCMPOTCFB-UHFFFAOYSA-N 361.323 4.079 0 1 FIAF CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CO)CO 32840819 BXAXVVVVPFELOK-QNEBEIHSSA-N 352.515 4.472 0 1 FIAF endogenous,in-man CCC[C@@H](C)COC(=O)c1cc(CO)cc(C(=O)OC[C@H](C)CCC)c1 40893134 WZXXTYNDXLUJEZ-HZPDHXFCSA-N 364.482 4.365 0 1 FIAF CN(C)CC[C@H](c1ccc2ccccc2c1)n1nnc(-c2ccccc2)n1 58592381 PIKWEFAACQLYMF-OAQYLSRUSA-N 357.461 4.034 0 1 FIAF O=C(C[C@H]1C(=O)N(c2ccccc2)C[C@@H]1c1ccccc1)Nc1ccccc1 72141732 UQFPHFQMGDRYTH-FGZHOGPDSA-N 370.452 4.462 0 1 FIAF Clc1ccc(-c2nc(CNCCCn3ccnc3)co2)c(Cl)c1 72184060 WNXFAXASMKHKCE-UHFFFAOYSA-N 351.237 4.025 0 1 FIAF CC1=CC(=O)O[C@H]2C=C(OCCOc3ccc(C(C)(C)C)cc3)C=C[C@@H]12 96915547 JXSDWFXCOLPHSF-PMACEKPBSA-N 354.446 4.321 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@H]1C3 100656426 PTGGVIKFNQSFBY-JMWCWSPMSA-N 358.478 4.210 0 1 FIAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(Oc5ccccc5)n4)c3c2)o1 145370903 ZJVSOYXGSBGVDG-UHFFFAOYSA-N 370.372 4.049 0 1 FIAF COc1cc(C(=O)N[C@H](C)c2ccccc2Cl)ccc1-c1cn[nH]c1 221704577 LXQGBVWOYPFPJU-GFCCVEGCSA-N 355.825 4.230 0 1 FIAF O=C1NCCc2[nH]c(-c3cccc4ccc(Nc5cccc(F)c5)nc34)cc21 222423932 ICBDTCBXUKRKLB-UHFFFAOYSA-N 372.403 4.399 0 1 FIAF Cc1nc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2cc1Br 586888757 YCRHTTUBBLWKQT-SCLBCKFNSA-N 354.251 4.400 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cnc(C)c(Br)c3C)nc2c1 586979666 TYQKVGFBEGQMDR-UHFFFAOYSA-N 362.227 4.021 0 1 FIAF O=C(O)c1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1F 587068081 GYICUXRQMMXNFO-UHFFFAOYSA-N 356.744 4.111 0 1 FIAF Clc1ccc(-c2nnc(CCc3nc4cc(Cl)ncc4[nH]3)o2)cc1 587077271 UFTSRSQVVIUQON-UHFFFAOYSA-N 360.204 4.100 0 1 FIAF CCOC(=O)[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096333 CWTVEDNGRRNGCD-KRWDZBQOSA-N 357.409 4.348 0 1 FIAF CN(C)C(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131248 ABCNPZLNHKPHHN-UHFFFAOYSA-N 355.388 4.146 0 1 FIAF C[C@H](CSc1ccc(F)cc1)c1nc2nc(Br)c[nH]c-2n1 587170565 QKNVRCCOOGOPHG-MRVPVSSYSA-N 367.247 4.102 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(C(=O)O)cc2[nH]1)C1CCCC1 587224253 GTXIZWHUJHLAIL-HNNXBMFYSA-N 359.426 4.017 0 1 FIAF N[C@@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1cccc2ccccc12 587259604 XGBRNPUUANJORJ-HNNXBMFYSA-N 356.351 4.372 0 1 FIAF COCC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362390 GNBYQAMGNJKIIE-UHFFFAOYSA-N 361.397 4.415 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(Br)cc1)O2 587370254 CZZMXDQCUITPBP-GOSISDBHSA-N 360.251 4.306 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCc4c(Br)cccc41)[C@@H](C2)C3=O 587418748 VCSPSNVAMZFFNW-LIRRHRJNSA-N 371.230 4.047 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)(F)F)c(F)c1)[C@@H](C2)C3=O 587420760 HFYCLMHWYZDTHM-APPDUMDISA-N 368.282 4.222 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N1CCCC[C@H]1CC)CC2=O 587477502 RMCMWUCIOJGNJG-QRQCRPRQSA-N 373.493 4.250 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccc(C)cc3[nH]1)CC2=O 587483884 MVDRGBCYODZUHZ-NRFANRHFSA-N 350.418 4.410 0 1 FIAF O=C(O)c1cnc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497043 DXRMMQJKTCXKLP-MRXNPFEDSA-N 357.793 4.019 0 1 FIAF O=C1CC(c2ccccn2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587515719 PMKPVABXHHBWGD-UHFFFAOYSA-N 356.425 4.264 0 1 FIAF C[C@@]1([C@@H]2COc3ccccc3O2)CC(=O)c2ccc3c(c2O1)CCCC3 587536939 YYVGUSZFDVFTCG-UNMCSNQZSA-N 350.414 4.129 0 1 FIAF C[C@@H]1COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587619429 XTBNDWCOMPVZQW-ZTWLPKFNSA-N 374.392 4.278 0 1 FIAF Cn1c(CO)cnc1Sc1c(-c2ccc(F)cc2)[nH]c2cc(F)ccc12 587634480 GUAHAQSMUGDJLL-UHFFFAOYSA-N 371.412 4.490 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cnn(C)c3c2)N1 587759352 KINLCUGZIRTGJU-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF Cc1[nH]c2ncccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587806136 VAYPHUUWWCFHRL-XLFHBGCDSA-N 374.257 4.397 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(C)(C)CC(=O)O)N1 587820497 AFCPEILLZBXBAS-BMLIUANNSA-N 372.278 4.229 0 1 FIAF COc1ccc2c(c1OC)[C@@H](c1c(F)ccc(F)c1F)N(C)[C@H](C)C2 962618121 BPEHTOBUHDXWHG-MGNBDDOMSA-N 351.368 4.087 0 1 FIAF NC(=O)N1CCc2sccc2[C@@H]1c1cccc(-c2ccc(O)cc2)c1 962714794 VQLVUQWHQDCSSZ-IBGZPJMESA-N 350.443 4.147 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(OC)cc2)(c2ncc[nH]2)N1 962958015 ZUPGDGUCGUCSAZ-HJPURHCSSA-N 372.472 4.116 0 1 FIAF Cc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc(C(F)(F)F)c1 1857557389 CLWSDSLWYUGKJT-UHFFFAOYSA-N 365.286 4.455 0 1 FIAF CC(=O)OCC(C)=CCc1cc(C=CC(=O)O)cc(CC=C(C)C)c1O 2356393485 LEMIBGJUUNCMCQ-UHFFFAOYSA-N 358.434 4.051 0 1 FIAF Cc1nc(C(=O)NCCC(C)C)sc1[C@@]1(C)CC(c2ccccc2)=NO1 13478252 SRAYPXCUTOEYLC-HXUWFJFHSA-N 371.506 4.267 0 3 FIAF CC(C)c1csc(CN2CCC[C@@](CO)(CCOc3ccccc3)C2)n1 11754238 PWFAIEAGPFNBHV-OAQYLSRUSA-N 374.550 4.310 0 1 FIAF COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)[C@H](C)C2 14641057 QHLOLFAIJRCECK-JGRMJRGVSA-N 358.434 4.084 0 1 FIAF biogenic N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccccc1 14957816 VQMJTIJDQMAPOX-QFIPXVFZSA-N 355.441 4.246 0 1 FIAF CC(C)c1ccc(C(=O)NCCCOc2cccc3ccc(N)nc23)cc1 28390469 LARLZOIWBQCHQM-UHFFFAOYSA-N 363.461 4.139 0 1 FIAF NC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 28714162 UYFRBZFZZCVVGT-CZTZKLFOSA-N 353.510 4.036 0 1 FIAF in-vivo CC[C@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 29483803 UMODTPQPINIWKV-KKPKCPPISA-N 353.506 4.066 0 1 FIAF C[S@](=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2nccs2)cc1 49112937 POXFREUZWCETIK-UPCLLVRISA-N 362.520 4.183 0 1 FIAF O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)nc1 49808384 WSSRAGJKXMFYQO-VQHVLOKHSA-N 357.381 4.363 0 1 FIAF CC[C@H](C)c1ccc(-n2c(=O)oc3ccc(Br)cc3c2=O)cc1 64573446 TWDYBJSPDJYGGZ-NSHDSACASA-N 374.234 4.220 0 1 FIAF COc1ccc(CCN[C@H](C)COc2c(C)cc(C)cc2C)cc1OC 66166935 DOFUMULNNYETSI-GOSISDBHSA-N 357.494 4.229 0 1 FIAF Cc1ccc(-c2cccc3cnc(Nc4ccc5c(c4)OCO5)nc23)cn1 71317325 FUDMBWNGRHHUHL-UHFFFAOYSA-N 356.385 4.473 0 1 FIAF Fc1ccc([C@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)c(F)c1 72113171 ZDAMNCNRIQMBFG-CABCVRRESA-N 364.758 4.495 0 1 FIAF Cc1cc(NCc2ccccc2)n2nc(SCc3ccccc3)nc2n1 95574642 RHTFTAGOSDAVSZ-UHFFFAOYSA-N 361.474 4.337 0 1 FIAF COc1cc2c(c3c1C(=O)C[C@H](c1ccc(O)cc1)O3)CCC(C)(C)O2 196372101 XGZCWMKNENVCAI-MRXNPFEDSA-N 354.402 4.211 0 1 FIAF in-vitro COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC(=O)[C@@H](C)F)ccc3CC[C@@H]12 473125545 QUCVTZNYLGBOIH-PUZMVAROSA-N 362.441 4.133 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccnc(Cl)c2[nH]1 587168574 ZXJGCDPKFAAIQD-ZDUSSCGKSA-N 359.792 4.119 0 1 FIAF O=C1CCc2cc3nc(-c4cccnc4NCc4ccccc4)[nH]c3cc2N1 587230724 XYEMCVWBCQDKCX-UHFFFAOYSA-N 369.428 4.122 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1sc(-c4ccncc4)nc1C)[C@@H](C2)C3=O 587450394 KDBKUVSEOCKMAC-KBXCAEBGSA-N 364.426 4.011 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(CCOC)c1C)CC2=O 587471753 UCNSSQPDODUFHI-FQEVSTJZSA-N 357.450 4.116 0 1 FIAF Cc1ccc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 587565326 AYJGGWJFRFSPBW-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF COc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1OC 587565594 FODISKLRHFNBHV-UHFFFAOYSA-N 356.422 4.194 0 1 FIAF COc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601598 UCAJVEBOMXYCNG-OFNKIYASSA-N 374.392 4.204 0 1 FIAF CC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602629 KMPXRKBWAIWWSO-KNQAVFIVSA-N 360.365 4.298 0 1 FIAF CC(C)(C)c1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651976 IARLBMQVTQWKQA-UHFFFAOYSA-N 370.836 4.067 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)nc2)N1 587706893 SKLLNINWUVDRDI-FVMDXXJSSA-N 369.665 4.434 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(F)cccc32)N1 587740559 YKADIZXQBKPJGJ-XTZNXHDOSA-N 364.233 4.451 0 1 FIAF CC(C)c1nccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587775291 QNHMJBGWCZCPIJ-QFYYESIMSA-N 364.262 4.125 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ncccc23)N1 587801653 HQBCZXLHVWRHFV-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O 587823732 VYOWOCDONLDIPB-ZMZPIMSZSA-N 364.258 4.400 0 1 FIAF CS(=O)(=O)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587961540 LPGCEWMZYJBYBB-UHFFFAOYSA-N 362.454 4.224 0 1 FIAF CCCOc1cc2nc(C[C@H](C)CCC(=O)O)[nH]c2cc1Br 587961808 XNVZLDDHASUSSD-SNVBAGLBSA-N 369.259 4.158 0 1 FIAF COc1ccc(-c2cc(C(=O)N[C@H]3CCc4ccccc43)co2)cc1OC 621431152 UFRADIWXWUKGDE-SFHVURJKSA-N 363.413 4.381 0 1 FIAF COC(=O)[C@@H]1C[C@@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963115120 ZMPPDFALMSCASY-AUUYWEPGSA-N 362.256 4.043 0 1 FIAF C[C@]1(c2cccc(N3CCOC3=O)c2)c2c(F)cccc2C[C@@H]2CCCN21 963117486 WXCJNVJWQORHEN-AVRDEDQJSA-N 366.436 4.066 0 1 FIAF CCCCCC1=CCC[C@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963230988 RJCNWEPYYGMVHE-UNMCSNQZSA-N 350.462 4.330 0 1 FIAF CCC=CC[C@@H](O)C=CC=CCC=CC=C[C@@H](O)C=CCCCC(=O)O 2356594103 JBRPFYYLEQERPG-NHCUHLMSSA-N 360.494 4.491 0 1 FIAF CN[C@@H]1[C@@H]2[C@H]([C@H](C)CCC=C(C)C)CC[C@](C)(NC)[C@H]2CC[C@]1(C)O 2356838141 LQPCKHOVOWLRIL-ZIBLJMHNSA-N 350.591 4.122 0 1 FIAF N=c1ncc(-c2cccc(NC(=O)c3cc(Cl)cc(Cl)c3)c2)c[nH]1 2382237984 NNKRZYHRYLHSCE-UHFFFAOYSA-N 359.216 4.115 0 1 FIAF NC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1OC(F)(F)F 2382254763 ANDVXYDJSSGKLI-UHFFFAOYSA-N 354.715 4.486 0 1 FIAF CCCCCOc1cc2nnnc(Nc3ccc(F)cc3)c2cc1OC 103295918 SXOKDPSXOOUEDU-UHFFFAOYSA-N 356.401 4.485 0 1 FIAF COc1ccc(C[C@H]2NC[C@H](C)c3c2[nH]c2c(C)cccc32)cc1OC 26668138 NIZFCRSGGQJYMN-WMLDXEAASA-N 350.462 4.484 0 1 FIAF CCc1cccc(C)c1NC(=O)[C@@H](CC)Sc1nc2cc[nH]cc-2n1 103901124 MWRWNSQFJIDLPM-MRXNPFEDSA-N 354.479 4.290 0 1 FIAF Cn1c(COc2ccc(Cl)cc2Cl)nc2c(Cl)cccc2c1=O 103199000 SXIVQNXZQAQGME-UHFFFAOYSA-N 369.635 4.473 0 1 FIAF COc1ccccc1C(=O)n1cc(C)n(-c2ccccc2OC)c1=S 103285362 JKRCAJINEVZOQU-UHFFFAOYSA-N 354.431 4.022 0 1 FIAF CCOc1nc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)no1 28767407 ADCAIZVOWQNKID-UHFFFAOYSA-N 357.410 4.060 0 1 FIAF COc1ccc(N2C(=O)/C(=C3/CCCN3C)c3ccccc32)cc1Cl 27518479 MNROGAJSEKZPKU-ZPHPHTNESA-N 354.837 4.464 0 1 FIAF Clc1cccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)c1 26503869 CGIJSXNPNCJNLN-UHFFFAOYSA-N 370.924 4.420 0 1 FIAF COc1ccc(NCCNC(=O)C2(Oc3ccccc3)CCCCC2)cc1 28572128 IIXBMNYYWLYPSX-UHFFFAOYSA-N 368.477 4.005 0 1 FIAF CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1CC[C@@]1(C)c3cocc3CC[C@@H]21 2356627010 SMXDQQCBDPYKBT-AHJNKEMKSA-N 360.494 4.242 0 1 FIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC(=O)N4C 36387860 OFWQOFUKQKBZTE-LTJFWBNFSA-N 361.526 4.173 0 3 FIAF COc1ccc(C[C@H](C)NC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 45188765 CVGVOOORORQOOE-SGTLLEGYSA-N 354.277 4.256 0 1 FIAF Cc1cccc(COc2nc3c(Cl)ccc(Cl)c3n3cnnc23)c1 84709830 WJHAYBZXOUPLOG-UHFFFAOYSA-N 359.216 4.472 0 1 FIAF CCCCCNc1ncnc2c1nc(C(C)C)n2CC[C@@H]1CCCN1C 82186808 JUYLAQNVXWNKFX-INIZCTEOSA-N 358.534 4.036 0 1 FIAF COc1cc(-c2cn[nH]c2)cc2sc([C@H]3COc4ccccc4C3)nc12 49033385 GUDYTHBWPHXZNU-CQSZACIVSA-N 363.442 4.414 0 1 FIAF CC/C(C)=C\C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@H]2C(=O)CC[C@H](C)[C@@]12C 238745048 ZHYSGQLQAZCSGC-WFVSVUHPSA-N 360.450 4.197 0 1 FIAF Cc1cccc(NC(=O)Nc2ccc(Nc3ncnc4[nH]ncc34)cc2)c1C 95588999 VWCFFXCKCOGDHF-UHFFFAOYSA-N 373.420 4.357 0 1 FIAF COc1cc([C@H]2C[C@H](c3ccccc3)c3cc(C(=N)N)ccc3N2)ccc1O 96273303 TYTZMIYQVOBRMU-YLJYHZDGSA-N 373.456 4.374 0 1 FIAF O=c1c2cccc(Cl)c2ncn1CSc1nc2ccccc2s1 96910567 SRUITLPPRWATPT-UHFFFAOYSA-N 359.863 4.409 0 1 FIAF CC(=O)Oc1ccc([C@@H](c2ccc(Cl)cc2)c2cccc[n+]2[O-])cc1 2382220002 JWAAPNYCQOVZEO-HXUWFJFHSA-N 353.805 4.079 0 1 FIAF O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3cccs3)c2C1 2382233917 YFUPJYIRDZXAIG-UHFFFAOYSA-N 358.854 4.382 0 1 FIAF CC[C@H](C)n1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587760093 OBTVACIWWSQEOA-RLFDGXBXSA-N 366.278 4.379 0 1 FIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587069423 KNMHVDUOXZKDLH-BTDLBPIBSA-N 356.813 4.317 0 1 FIAF C[C@]1(Cc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573697 WTDCZPPGTQIVPW-SIKLNZKXSA-N 364.372 4.494 0 1 FIAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587050158 OWYNWEKRVBVKSO-MNOVXSKESA-N 371.231 4.117 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(Cl)nc(SC)n1 587873206 VYNIOLPZOATUHM-UHFFFAOYSA-N 364.833 4.242 0 1 FIAF Clc1cccnc1-c1nc(-c2nc3cc4c(cc3[nH]2)OCCO4)cs1 587016740 BPOOPARXQACKQR-UHFFFAOYSA-N 370.821 4.173 0 1 FIAF Clc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2nc1Cl 587041422 NPCPJVMDTIOQGQ-QWHCGFSZSA-N 365.289 4.211 0 1 FIAF CCc1ccc([C@@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587437371 ZEGBBFAUBUKGAD-YKSBVNFPSA-N 371.436 4.344 0 1 FIAF Cc1c(-c2nc3c(cnc4ccccc43)[nH]2)sc2c1C(=O)N1CCC=C1N2 587030029 VYZJGUJZUMOVCA-UHFFFAOYSA-N 373.441 4.261 0 1 FIAF CC(=O)CC[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599191 DEMFERRJQHUHRA-RXVVDRJESA-N 354.402 4.118 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc(C[C@@H]3C[C@H]3c3ccccc3)nc1-2 587962704 ZEYAJNKSIHDQDK-UWVGGRQHSA-N 352.747 4.323 0 1 FIAF Cc1ccc2[nH]nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587593337 ISWHVYHHVNBUIZ-AVRDEDQJSA-N 372.380 4.280 0 1 FIAF Nc1ccc(/C=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587251625 KEDSGPXLFDJYHL-ZZXKWVIFSA-N 350.166 4.356 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CCOC1)CC2=O 587493840 WJEQEFCPTXNKEY-KSFYIVLOSA-N 352.430 4.242 0 1 FIAF C[C@@]1(CC(=O)c2cccnc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962714829 RLNMNCZKWNCYOW-IIBYNOLFSA-N 370.493 4.073 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@@](c3cc(F)cc(Cl)c3)(C3CC3)c3cccc1c32 963019934 FTDAWBCQAPEDBT-XUSGNXJCSA-N 370.855 4.186 0 1 FIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Nc5oncc5C[C@]4(C)[C@@H]3CC[C@]12C 5664778 HPKLKMDASAMZLY-IFKFXWNZSA-N 358.482 4.186 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(Br)c(=O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13766669 LPTWBZPOULARPE-GVYRHCHYSA-N 363.295 4.026 0 1 FIAF Cc1cc(-c2n[nH]c3cc(NC(=O)OCc4ccccc4)ncc23)ccn1 1857543882 ZPGZHORODFWDFX-UHFFFAOYSA-N 359.389 4.077 0 1 FIAF Cc1cc(C)c(-n2cc(CN3CCc4c([nH]c5ccccc45)C3)nn2)c(C)c1 1857580209 DSUPVDBHPKQMRK-UHFFFAOYSA-N 371.488 4.232 0 1 FIAF CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1Cl 4902813 UXQYGQOWXBPPRQ-KZULUSFZSA-N 374.843 4.091 0 1 FIAF Cn1c2c(c3ccccc31)CN(CCC[C@@H](O)c1ccc(F)cc1)CC2 13476819 ARHHDTLXUBIQJK-JOCHJYFZSA-N 352.453 4.189 0 1 FIAF CCOc1ccc2c(c1)c(CCNC(=O)C1CC1)c1n2Cc2ccccc2-1 13494171 WDGNSQUDIFRDFN-UHFFFAOYSA-N 360.457 4.137 0 1 FIAF O[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)C[C@H]1NCc1ccccc1 13648565 KVFPFYVUWUNGRU-SMIHKQSGSA-N 373.496 4.127 0 1 FIAF COc1ccc(Cl)cc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 13814462 ZUKCWYCSNRGFKC-IEBWSBKVSA-N 356.897 4.274 0 1 FIAF CNC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 28714164 URMRSPJBIISGIL-XKCSPQBFSA-N 367.537 4.296 0 1 FIAF in-vivo COc1ccc(OCCCOc2c3ccoc3cc3oc(=O)ccc23)cc1 34600530 MPBOIIOUUSODAR-UHFFFAOYSA-N 366.369 4.396 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CN=C4C=C(O)C=C[C@]4(C)[C@H]3CC[C@]12C 36188986 CXIZEAWVDWCMQV-BEBBMPPASA-N 370.537 4.432 0 1 FIAF O=C(O)C[C@H](Cc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Cl)cc1 72118828 WDQQQFDVABRXFU-JTQLQIEISA-N 350.752 4.296 0 1 FIAF C(CNCc1nnnn1C1CCCCC1)=C(c1ccccc1)c1ccccc1 73163000 LLRBBEMPODQJJC-UHFFFAOYSA-N 373.504 4.400 0 1 FIAF CC[C@@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(OC)cc42)[C@@H]13 101812001 BQLQSIRUAFRJJC-TXCSNJEZSA-N 367.533 4.369 0 1 FIAF COc1cccc(C(=O)CSc2nc(C)c(C)n2Nc2ccccc2)c1 103244290 RVBMKLVFEIZTLE-UHFFFAOYSA-N 367.474 4.359 0 1 FIAF C[C@@](O)(c1ccc2ncccc2c1)c1cnc2ccc(-c3ccccc3)nn12 139666668 FKWCZFBOGNJIFW-HSZRJFAPSA-N 366.424 4.200 0 1 FIAF COc1cc2c(cc1O)[C@@H](c1ccc(OC)c(OC)c1)[C@H](C)[C@H](C)C2=O 145408627 ZXAFNDDXODHVOJ-XAAFQQQXSA-N 356.418 4.018 0 1 FIAF C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)c1ccc2nc(N)nc(N)c2c1 169344377 FFXSSASNVYXDEB-VIFPVBQESA-N 362.264 4.298 0 1 FIAF COc1ccc(C=O)c2cc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)oc12 586903744 MGZNBFHOHJRFRP-UHFFFAOYSA-N 362.172 4.499 0 1 FIAF Oc1ccc(C2(c3nc4cc(Cl)c(Cl)nc4[nH]3)CCOCC2)cc1 586912573 HSVAYJKADCMVBW-UHFFFAOYSA-N 364.232 4.067 0 1 FIAF Cc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br 587026471 YBGOQYYRBBWFIH-UHFFFAOYSA-N 373.326 4.066 0 1 FIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587067216 ZBOWBRANMNCMNG-MRVPVSSYSA-N 356.735 4.425 0 1 FIAF C[C@H](c1nc2nc(Br)c[nH]c-2n1)c1ccccc1C(F)(F)F 587096669 ABWKESIOJMCOEX-ZETCQYMHSA-N 371.160 4.238 0 1 FIAF Fc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(N2CCCC2)n1 587177230 DKBBJGCABZJOLM-UHFFFAOYSA-N 352.747 4.296 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)cs1)[C@@H](C2)C3=O 587449791 CVPMOGCTESPUGC-ZBEGNZNMSA-N 365.248 4.182 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccnc1C(F)(F)F)CC2=O 587464662 VNURSRBFUSAQOX-HNNXBMFYSA-N 351.324 4.465 0 1 FIAF CCOC(=O)[C@H](F)[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587504811 KFVAHGYZDDXORO-VQPPSCEASA-N 374.452 4.361 0 1 FIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3N)c(-c3ccccc3)c2c1 587649649 AHKOCWMKWPEJJT-UHFFFAOYSA-N 362.454 4.488 0 1 FIAF Oc1ccc2c(c1)[C@H](c1ccc(C(F)(F)F)cc1Br)NCC2 963331273 YFRSMUZWMAWLIZ-HNNXBMFYSA-N 372.184 4.409 0 1 FIAF O=C(Cc1ccc(-c2cccc(C3CCNCC3)c2)cc1)Nc1cccnc1 1772609296 CPRLQLOQSDEZLJ-UHFFFAOYSA-N 371.484 4.397 0 1 FIAF FC(F)(F)Oc1ccc(C2=NO[C@@H](c3cc4cncnc4s3)C2)cc1 1857543634 ZRQYMQSBVPLCRC-CYBMUJFWSA-N 365.336 4.456 0 1 FIAF CN1C(=O)C[N@]2C(Cl)(Cl)[C@@]2(c2ccccc2)c2cc(Cl)ccc21 1857623610 MBDAGNNYSNKUSM-ZHRRBRCNSA-N 367.663 4.007 0 1 FIAF Oc1nc2cc(F)ccc2n1C1CCN(Cc2ccccc2Cl)CC1 1857640102 XARYHPBIYNOYSB-UHFFFAOYSA-N 359.832 4.372 0 1 FIAF CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)cc2)cc1 1857763318 XWYLEVNGSMGPPA-UHFFFAOYSA-N 360.457 4.205 0 1 FIAF O=C(CCc1ccc(Oc2ccccc2)cc1)C(=O)NCCc1ccccc1 1911585631 WKTQFPIJLPYHKU-UHFFFAOYSA-N 373.452 4.340 0 1 FIAF C[C@]12CC[C@H]3O[C@@H](Cc4ccccc4)OC[C@]3(C)[C@H]1CC[C@H]1OC(=O)C[C@H]12 2356835664 KTVLKRWPABHONN-IWXGMBDMSA-N 370.489 4.119 0 1 FIAF C=C(c1cc(N2CCCC2)nc(N2CCCC2)c1)c1ccc(OC)c(O)c1 2382242486 HJQTWKIBTXHWBJ-UHFFFAOYSA-N 365.477 4.058 0 1 FIAF COCC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1 13474634 YRVKFGJACHQHIQ-UHFFFAOYSA-N 364.449 4.440 0 1 FIAF Cc1nc(-c2cccc(N3CCC(N[C@H]4CCSC4)CC3)c2)cs1 23192972 ZRGQCFYWQMQPNW-KRWDZBQOSA-N 359.564 4.182 0 1 FIAF O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC2(Cc3ccccc3C2)C1 45358811 ABEIEQCSUITISS-UHFFFAOYSA-N 364.533 4.402 0 1 FIAF COc1cc2c(cc1OC)C(=O)C[C@@H](c1ccc(N3CCCCC3)cc1)O2 45391293 BCARUKUOTJIFBF-IBGZPJMESA-N 367.445 4.401 0 1 FIAF CC(C)Cc1sc(-c2cccs2)nc1-c1ccc(P(=O)(O)O)o1 66112021 PLWOWHGZXIBBOZ-UHFFFAOYSA-N 369.404 4.133 0 1 FIAF COc1ccc([C@H]2[C@H](C)C(=S)N2c2cc(OC)c(OC)c(OC)c2)cc1 66259802 NAPVLQUURFIQJL-KPZWWZAWSA-N 373.474 4.246 0 1 FIAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2CCC(C)CC2)n1 82066899 JBJFCNWSZPOULB-HNNXBMFYSA-N 371.485 4.119 0 1 FIAF COc1ccc([C@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2=O)cc1OC 95572690 FEKWHPXOKSRHGK-MRXNPFEDSA-N 366.413 4.247 0 1 FIAF CC1(C)CC2=Nc3nc(O)nc(O)c3[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 104082859 VYYUMQCHEFXAJY-ZDUSSCGKSA-N 371.824 4.391 0 1 FIAF CC(=O)O[C@H]1CC[C@H]2[C@H]3CC[C@H]4CN(C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 169368866 YXKNWBJKYNIVOY-YRCTWBNTSA-N 361.526 4.029 0 1 FIAF O=C(O)c1n[nH]c2cc(Cl)c(-c3ccc(C4(CO)CCCC4)cc3)cc12 219330836 CBULJUGDGNALQZ-UHFFFAOYSA-N 370.836 4.386 0 1 FIAF O=C1NCCc2[nH]c(-c3cccc4ccc(Nc5ccccc5)nc34)cc21 222397010 KZEHSLRNNNTFIS-UHFFFAOYSA-N 354.413 4.259 0 1 FIAF CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)C[C@H](C)[C@H]3CC=C(C)C4=CC[C@H]1[C@H]4[C@H]32 238749922 YNTWKKJWHMCMFN-UWWPOUTJSA-N 358.478 4.054 0 1 FIAF CCCCC/C=C\C[C@H](O)[C@H](/C=C/[C@@H]1CC=CCCCC(=O)O1)OC 299806717 NGVOPKDYDKTASH-FEKMBQTGSA-N 350.499 4.487 0 1 FIAF O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(Oc3ccccc3)ccc21 377815877 YXDKCPTYAOHUSC-UHFFFAOYSA-N 361.406 4.251 0 1 FIAF Oc1cccc(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 586897310 ZPXLNSRMBMQHKZ-UHFFFAOYSA-N 357.282 4.103 0 1 FIAF CC(C)C[C@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586901037 MVDOZGXAAQXPFP-JTQLQIEISA-N 367.165 4.304 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1[C@@H](O)C3 586992061 SGBYJONQEMPSNP-IBGZPJMESA-N 365.388 4.408 0 1 FIAF COc1cc(/C=C\c2nc3cncnc3[nH]2)cc(Cl)c1OCC(C)C 587046662 IZVJHXKFCLIHPI-PLNGDYQASA-N 358.829 4.220 0 1 FIAF Fc1c(F)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c(F)c(F)c1S 587134126 IJXYMPMLOUUBIV-UHFFFAOYSA-N 351.687 4.263 0 1 FIAF COc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cn1 587149364 GMGCIHSZJMRLBN-IBGZPJMESA-N 367.355 4.413 0 1 FIAF Cc1c(Br)ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c12 587154750 GKVLRDDWJCERAY-APPDUMDISA-N 360.230 4.114 0 1 FIAF COc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2n1 587159629 RGGRCWOCEFSRRW-UHFFFAOYSA-N 359.364 4.112 0 1 FIAF Fc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(N2CCCC2)n1 587177715 VPVWPZLLPGSKNW-UHFFFAOYSA-N 352.200 4.066 0 1 FIAF C[C@]1(CN2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345926 QTGCVGMEUALHFK-IFMALSPDSA-N 369.436 4.135 0 1 FIAF CCCc1nnc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)o1 587394599 IMDBYHVITQGCMH-GOSISDBHSA-N 363.417 4.286 0 1 FIAF COc1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cn1 587410523 OMLCDPUKOBDEPW-INIZCTEOSA-N 366.442 4.416 0 1 FIAF COc1ccc2c(c1)[C@]1(CCCS2)CC(=O)c2cc(C)cc(N)c2O1 587414964 QATVGEDKZMSEHH-FQEVSTJZSA-N 355.459 4.332 0 1 FIAF COc1cc2c3c(c1)O[C@H](CCc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587420833 HQDKHQPACOSBGI-HZPDHXFCSA-N 362.347 4.463 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccn1)CC2=O 587458121 PXYJWOMDOPWMFY-INIZCTEOSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)N(Cc2ccccc2)C1 587481058 XOQFEGBQCNSCGL-WAIKUNEKSA-N 365.473 4.343 0 1 FIAF O=C1C[C@@]2(CCNc3nc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587499835 NEOOJPCAPQZEBZ-HXUWFJFHSA-N 354.837 4.290 0 1 FIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587558471 SKZHYGBGAPOTEF-GHTZIAJQSA-N 366.344 4.243 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)C1CCC1 587587708 PHPOVLIVDKKYFN-REWPJTCUSA-N 373.408 4.444 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(C2CC2)n1 587615081 VKFMEZUAEJTFEP-LPHOPBHVSA-N 365.410 4.429 0 1 FIAF COc1ccc2[nH]c(C)c(Cc3c(C)[nH]c4cc(F)ccc34)c(=O)c2c1 587636874 NBSDUHBRSYGQFA-UHFFFAOYSA-N 350.393 4.365 0 1 FIAF CC(C)[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587818646 RSFVNZOJKZYUPS-AEDCBLDQSA-N 368.290 4.343 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cc3ccccc3C2=O)N1 587829635 RRTVNHHNBYLHOK-JEOXALJRSA-N 372.237 4.227 0 1 FIAF C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2[C@@H](C)c2ccccc2)CCC[C@H]1C 618007443 UZUZYHUZSFVUQV-QROAFCQGSA-N 356.510 4.070 0 1 FIAF Cc1ccc([C@]2(C)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)nc1 962631364 DULXZRSGXKDUNB-RDGATRHJSA-N 369.512 4.400 0 1 FIAF CO[C@](C)(C1CC1)[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962634224 HYQCINJFECFEEX-OEMFJLHTSA-N 362.517 4.290 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(OC)cc3)[C@H]2O)cc1 1772570673 BGQXRKQECQXVNM-PKTZIBPZSA-N 374.440 4.030 0 1 FIAF COc1cccc(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c1OC 1772639527 YUNVHQSVLSQZCF-INIZCTEOSA-N 369.442 4.434 0 1 FIAF O=C(N=c1[nH]n(Cc2ccc(Cl)cc2)c2ccccc12)c1ccoc1 1857618357 QVSFJSFDIYVKQE-UHFFFAOYSA-N 351.793 4.005 0 1 FIAF CC(=O)N1c2ccc(-c3ccoc3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C 1857762918 LHFQBNJRTJCMRA-SCLBCKFNSA-N 356.422 4.267 0 1 FIAF COc1ccc(OC)c2c1C=C[C@H](C1(C)SCCS1)[C@H]2C(C)=O 5712902 YRAWULGEUZEPKB-XJKSGUPXSA-N 350.505 4.216 0 1 FIAF CSCC[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O 12794396 ONMXFDXZXVBCJI-LBPRGKRZSA-N 369.895 4.005 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@](C)(C(=O)CO)C=C3CC[C@@H]12 14657247 KPLNBGZQVQIMOU-WQIFRTTPSA-N 362.510 4.060 0 1 FIAF biogenic CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26391662 ZOIUUCNFVDJSJK-SGQJWYDZSA-N 374.569 4.039 0 1 FIAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2cccs2)O[C@H]1c1cccnc1 36242425 TZGFTCJPPBRFFT-FKGPONGISA-N 359.447 4.357 0 1 FIAF CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CNC3CCC3)cc2)C1 45364261 SNTYDMTYFDXPJP-HXUWFJFHSA-N 370.924 4.308 0 1 FIAF O=C(COc1ccccc1F)Nc1nnc(-c2ccc3ccccc3c2)o1 66138638 LGWNRJYMCOIIBT-UHFFFAOYSA-N 363.348 4.046 0 1 FIAF COC(=O)c1cccc(NC(=O)/C=C/Oc2ccc(C(C)(C)C)cc2)c1 95580200 DNICDLVWKIPLFK-OUKQBFOZSA-N 353.418 4.302 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 100789649 IWSCITFBDCQRGG-BRSNVKEHSA-N 350.499 4.479 0 1 FIAF C[C@@H](COc1cccc(C(F)(F)F)c1)OC(=O)NCc1ccccc1 103190612 SXOHFGFVGMSJLL-ZDUSSCGKSA-N 353.340 4.399 0 1 FIAF CN(C)c1cccc(-c2cnc3sc(NCc4ccc(F)cc4)nn23)c1 117608386 JEXIXPKIERCDHG-UHFFFAOYSA-N 367.453 4.275 0 1 FIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc2[nH]ccc2c1 167056352 QIHVDBLYIYTUQQ-KSSFIOAISA-N 364.445 4.295 0 1 FIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)cc(C)c2[nH]1 586973043 MLHKJQNLNWBPSA-SFHVURJKSA-N 353.491 4.290 0 1 FIAF Cc1cc(Cc2nc3c(F)cnc(Cl)c3[nH]2)ccc1Br 586975811 FZSDPOSEWQGXEF-UHFFFAOYSA-N 354.610 4.412 0 1 FIAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc3c(cc2[nH]1)OCCO3 587012279 QLAFDZOMNZGKAF-UHFFFAOYSA-N 363.442 4.357 0 1 FIAF O=C(Nc1ccccc1Cl)c1nc2cc(OC(F)(F)F)ccc2[nH]1 587060254 HUXOUYXAXQRIFK-UHFFFAOYSA-N 355.703 4.367 0 1 FIAF Cc1cc(Cl)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587084619 FJGDAEALKZYLMT-UHFFFAOYSA-N 362.264 4.352 0 1 FIAF CCCCOc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1Br 587246408 IJCBGVOUSLYHOG-WDEREUQCSA-N 352.276 4.099 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1F)O2 587386628 VPCHOQCACSTDHH-AWEZNQCLSA-N 350.187 4.185 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCc4cccc(Br)c41)[C@@H](C2)C3=O 587417466 MQLGWXYNLKGGNL-ORAYPTAESA-N 371.230 4.047 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCc4c1c1ccccc1n4C)[C@@H](C2)C3=O 587429267 APJWGRSQPYJVLO-QMHKHESXSA-N 359.425 4.166 0 1 FIAF O=C1C[C@@H](c2cnc3[nH]c(Cl)ncc2-3)Oc2c1ccc1c2CCCC1 587499121 LFSDQXHRAYEMCS-INIZCTEOSA-N 353.809 4.148 0 1 FIAF C[C@@H]1Cc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1 587616679 LVXHMMSNVYEBDO-QPTLAOIZSA-N 374.392 4.419 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2F)N1 587723332 WZNJVBDUYHJPOA-BCTVWOGZSA-N 356.185 4.490 0 1 FIAF CC(C)n1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587762558 FWUNLIOLVYYPNW-DIFFPNOSSA-N 366.278 4.163 0 1 FIAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587768567 DNTIUVQVBFLDAE-BTDLBPIBSA-N 365.246 4.006 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncccc3[nH]2)N1 587801740 HXOBAHGMSGSOFX-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cnccc3[nH]2)N1 587808327 YICQHVVPTSZACY-XYZCENFISA-N 360.230 4.088 0 1 FIAF CCCC[C@H](CO)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587827479 PNCNMXRSXJLPPJ-XTQGRXLLSA-N 358.295 4.136 0 1 FIAF CC(=O)N(C)c1nc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cs1 962665950 RTPOUIJEVQQIHB-HXUWFJFHSA-N 363.486 4.028 0 1 FIAF COc1ccc(N(C(=O)/C=C/c2ccccc2)C2=C[C@@H]3CC[C@H](C2)N3C)cc1 2490090 XMEGHXYPMWYZPW-AIGRFHFRSA-N 374.484 4.492 0 1 FIAF CCCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2 3061142 DBOYNWAECGYMLM-UHFFFAOYSA-N 354.475 4.348 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4055238 LVXVZZJXPLTRPQ-HKUYNNGSSA-N 356.853 4.348 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4Nc5oncc5C[C@]4(C)[C@@H]3CC[C@]12C 5711865 HPKLKMDASAMZLY-NLKQXVMISA-N 358.482 4.186 0 1 FIAF O=C(CCCCC[S@@](=O)c1ccccc1)c1ncc(-c2ccccn2)o1 14980073 WPCBMXLUQSPZRO-SANMLTNESA-N 368.458 4.288 0 1 FIAF N[C@@H](COc1cncc(/C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 37867108 SGHXFHRRWFLILP-KKHYBRAUSA-N 370.456 4.077 0 1 FIAF N[C@H]1CCN(Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)C1 45168587 UUBYDAMQRANIIK-NRFANRHFSA-N 368.484 4.430 0 1 FIAF Nc1nccc(-c2ccc3nc([C@H]4COc5ccccc5C4)sc3c2)n1 49032565 WWVZNRRDWRTNIA-CQSZACIVSA-N 360.442 4.054 0 1 FIAF O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12 63298414 RQJIDUOCLNMUHR-UHFFFAOYSA-N 350.275 4.432 0 1 FIAF O=C1Nc2cccnc2N(C[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21 71282136 ZYWOXGLCZZEQFO-QFBILLFUSA-N 362.477 4.050 0 1 FIAF COc1cccc(Cn2c([C@H](C)N)nc3cc(Cl)c(Cl)cc32)c1 72118107 DENJWZAOOFMNSQ-JTQLQIEISA-N 350.249 4.420 0 1 FIAF CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cncnc4)cc23)CC1 95582159 OMRFHGXPJWNBFO-UHFFFAOYSA-N 369.472 4.292 0 1 FIAF Brc1ccccc1COc1ccc2c(c1)CCc1nccn1-2 95594288 YBIKUXXYUQAORY-UHFFFAOYSA-N 355.235 4.312 0 1 FIAF CCO[C@H]1C=C[C@H]2C/C=C\C[C@H](c3ccc(Cl)cc3)OC(=O)C[C@@H]1O2 96915232 BHYRXNDJECEOBG-HVSUOPIZSA-N 362.853 4.393 0 1 FIAF COc1cc2c(cc1C)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100621329 LGTWDYOCQIWQMQ-NQIIRXRSSA-N 360.457 4.207 0 1 FIAF CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4nccc(C5CC5)n4)c3c2)o1 145441349 YXZSPNLYIYHRNS-UHFFFAOYSA-N 360.421 4.373 0 1 FIAF CCCC/C=C/[S@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O 169729686 FUMUNQLQWYELGF-REXAPNPKSA-N 350.436 4.080 0 1 FIAF CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC/C(C)=C/CO 238757410 OWZUBMHBAHWVRJ-AAMYXKIBSA-N 366.542 4.242 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc3ncccc3c2[nH]1 586963159 LIEGATGZXVVGPS-AWEZNQCLSA-N 351.435 4.159 0 1 FIAF O=C(O)c1cccnc1SCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586967446 XRBJIJBSOLFBLJ-UHFFFAOYSA-N 371.315 4.106 0 1 FIAF CSc1nccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586994630 ZTDGTBSTJVTERU-UHFFFAOYSA-N 371.421 4.331 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Cl)cnc2[nH]1 587201434 MOFMBDHISIRDJC-UHFFFAOYSA-N 352.866 4.192 0 1 FIAF CC[C@@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619034 QHVBEFZBYLTNAM-DNVCBOLYSA-N 353.399 4.116 0 1 FIAF COC(=O)c1cccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)c1 587627201 PMSFQERGGADHPH-UHFFFAOYSA-N 356.809 4.477 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3n2C)N1 587760605 ZFCRTZXVLACHCQ-BMLIUANNSA-N 374.257 4.099 0 1 FIAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587823300 TTYANZQNAOCAEV-VOJFVSQTSA-N 364.258 4.400 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC2CCOCC2)N1 587831882 AJZRYWVMUFPIOS-DIFFPNOSSA-N 356.279 4.154 0 1 FIAF COc1cccc(C2(c3nc4cc5c(cc4[nH]3)NC(=O)CC5)CCCC2)c1 587933590 RUALAAQYDFWPFD-UHFFFAOYSA-N 361.445 4.316 0 1 FIAF CCC(=O)Oc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@H](C)OC2=O 653835449 KOYRVRHKFDDVFR-KVEVGEHQSA-N 374.433 4.189 0 1 FIAF Cc1c([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)[nH]c2c(Cl)cccc12 963022241 IGZDLLUNUQSNPA-QKVFXAPYSA-N 365.864 4.272 0 1 FIAF CC=CC=CC=CC(=O)O[C@@H]1C=C2COC[C@]2(O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356438622 NBSRXDQGLXGTEV-KPUOSGPGSA-N 372.505 4.121 0 1 FIAF CC1(C)[C@H](O)CC[C@@]2(C)[C@@]1(O)CC[C@H]1Cc3c([nH]c4ccccc34)[C@]12C 2356448827 QJRNEHJGTLWRJJ-IEBLQJHXSA-N 353.506 4.310 0 1 FIAF CCCCCCC(=O)Oc1cccc(N=c2[nH]c3ccccc3c(=O)o2)c1 2382251108 PJTFSUNYCCSADH-UHFFFAOYSA-N 366.417 4.229 0 1 FIAF Fc1ccc(-c2[nH]ncc2CN(CC2CCC2)C[C@@H]2CCCO2)c(F)c1 12447039 BWFHIEAKPHCOAC-KRWDZBQOSA-N 361.436 4.136 0 3 FIAF C[C@]1(Oc2cccc(F)c2)CCN(Cc2ccccc2OC(F)F)C1 61929603 LQICVSFTUKUOFA-IBGZPJMESA-N 351.368 4.471 0 3 FIAF O=C1COCc2ccc(-c3cccnc3)cc2N1Cc1cc(F)cc(F)c1 205232524 UHFBQQHGLGKONA-UHFFFAOYSA-N 366.367 4.090 0 3 FIAF CC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2nc(-c3ccccc3C)oc2C)C1 5044272 OTQIQDQSYDVSQM-SJLPKXTDSA-N 369.509 4.085 0 1 FIAF O=C(Nc1nnc(C2CCCCC2)o1)c1ccc(Br)cc1 10881011 QSEDVAMWKCOAEK-UHFFFAOYSA-N 350.216 4.132 0 1 FIAF CCCCc1nc2[nH]cnc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12 13475521 IOICVMMVGWPRCC-UHFFFAOYSA-N 360.343 4.029 0 1 FIAF Clc1ccc([C@@H](CCNCCCc2c[nH]cn2)c2ccccn2)cc1 13490248 JSFCRCOLLFTCQM-LJQANCHMSA-N 354.885 4.203 0 1 FIAF O=C(O)[C@H]1[C@@H]2CCCCC2=C2CCCC[C@@H]2[C@@H]1C(=O)Nc1nccs1 17417826 UAEKMUHPIUFOAJ-FZKCQIBNSA-N 360.479 4.089 0 1 FIAF c1ccc(-c2nc(CCn3c(-c4cscn4)nc4ccccc43)no2)cc1 28245401 WTCQBIRJKVRICI-UHFFFAOYSA-N 373.441 4.453 0 1 FIAF Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 29696973 ITRMZYSEZBCBEC-RBUKOAKNSA-N 372.871 4.240 0 1 FIAF CC(C)(C)N[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 40953787 NHCOMOPJJHSXMA-GHDQWWTDSA-N 363.586 4.118 0 1 FIAF CC[C@@H]1CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1 45340137 LGCIZDYPKPLDMP-CQSZACIVSA-N 358.873 4.444 0 1 FIAF Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3nccs3)cc2)cc1 100093658 YTMJQWBNKRQSRL-XVAYZXCPSA-N 361.514 4.058 0 1 FIAF CCC/N=c1\c(NC(=O)c2ccc(CC)cc2)c(O)oc2ccccc12 103646691 VPUSOCFJMURNHN-PYCFMQQDSA-N 350.418 4.264 0 1 FIAF CSc1nn(-c2ccccc2)c2cc(C(=O)C[C@@H]3CCCN3)ccc12 166560210 NEPBFYSAZWVNRA-HNNXBMFYSA-N 351.475 4.072 0 1 FIAF Cc1cc(C)c2nc(C(F)(F)F)cc([C@H](O)C[C@@H]3CCCCN3)c2c1 169334034 KXGCWJQQFJMQKK-XJKSGUPXSA-N 352.400 4.436 0 1 FIAF O=C(O)[C@@H]1CCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 253868718 FIMFEAXKPOZWDG-DPLHUUCSSA-N 361.485 4.030 0 1 FIAF O=C1O/C(=C\c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc21 586906220 JUHXZAIBDBOXCS-QPEQYQDCSA-N 359.154 4.133 0 1 FIAF Cc1cnc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2c1 586960237 NLRJGCWTJWXWAF-AREMUKBSSA-N 361.470 4.305 0 1 FIAF Cc1cc(C)c2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2c1 587145343 WYXNWOHUUZZQEP-AWEZNQCLSA-N 362.246 4.324 0 1 FIAF O=C(CCc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(F)cc1 587163135 MYJNFSYIWYLUQD-UHFFFAOYSA-N 365.177 4.419 0 1 FIAF CC(=O)c1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587168570 ZXHHBUQSCYMQEZ-SFHVURJKSA-N 366.396 4.274 0 1 FIAF Cc1nc2[nH]c(-c3cc(N)cc4ccccc34)nc2cc1Br 587251264 AHEUKKZWULOPSC-UHFFFAOYSA-N 353.223 4.431 0 1 FIAF Cc1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)co1 587340504 SXNPFPWJCUPGOZ-ICSRJNTNSA-N 353.349 4.102 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(O)c2)N1 587722636 ZCQDHFMWSRJGMH-VPTHRUTESA-N 354.194 4.057 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2cnn3C)N1 587755917 BOLCNGXGHLLOIH-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 587770922 KPAYQJUUXSFENN-XIKOKIGWSA-N 363.274 4.398 0 1 FIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 587784231 GGANVSMQSYRCBH-QWHCGFSZSA-N 371.234 4.269 0 1 FIAF CO[C@@H](C)COC1CCC(c2nc3cc(C(F)(F)F)cnc3[nH]2)CC1 587952320 OSIAVKGWINMORO-ZBOXLXRLSA-N 357.376 4.054 0 1 FIAF Cc1ccc(C)c(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587958449 CXKBOIBVZGMQES-UHFFFAOYSA-N 368.380 4.064 0 1 FIAF COC(=O)c1ccc(-c2cn(-c3cccc(-c4ccccc4)c3)nn2)cc1 2382237579 BLLSOTGHAVNDGF-UHFFFAOYSA-N 355.397 4.388 0 1 FIAF COc1cc(OC)c(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)cc1Cl 2468478 HQNSHDUQDUAOTB-DJJJIMSYSA-N 374.824 4.127 0 1 FIAF COCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 2482112 HCKVYJPWAUMMAU-UHFFFAOYSA-N 362.838 4.100 0 1 FIAF CC(=O)c1ccc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)o1 28769235 PTAHOAOVTRZHFF-UHFFFAOYSA-N 354.406 4.469 0 1 FIAF N[C@@H](CCc1ccccc1)c1csc(Nc2nncc3ccccc23)n1 61897214 LEIUHFGODFCKDR-KRWDZBQOSA-N 361.474 4.463 0 3 FIAF CN(C)CCCN1CCSc2cc(NC(=N)c3cccs3)ccc21 113970969 AIXCRSGMKMJRRJ-UHFFFAOYSA-N 360.552 4.049 0 1 FIAF Cc1cc(O)ccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-] 73170065 VTRTZNUGUTWHFX-UHFFFAOYSA-N 364.351 4.494 0 1 FIAF COc1ccc2nc(-n3ccc4c(OC)c(OC)c(OC)cc43)ccc2c1 72114162 HLZSZPSMLWCZKJ-UHFFFAOYSA-N 364.401 4.213 0 1 FIAF CCC(CC)Nc1c(C)c(Nc2ccc(OC)cc2Cl)nc2ncnn12 72119801 PJNQITGQTBQMIV-UHFFFAOYSA-N 374.876 4.439 0 1 FIAF CCO[C@@H](c1ccc(C(=O)OC)cc1)[C@@H](SC(C)(C)C)n1ccnc1 45366131 PFORGQXALRKXGD-DLBZAZTESA-N 362.495 4.478 0 1 FIAF Cc1cnc2c(Cc3ccc(F)cc3)c(NC(=O)CC3CCCC3)nn2c1 95561229 IWLZLKNDRVCYFU-UHFFFAOYSA-N 366.440 4.286 0 1 FIAF N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@H](NCCCC(F)(F)F)CC1 254051016 KZDLVPSWMDBGSX-SRCQZFHVSA-N 364.402 4.326 0 1 FIAF CC1(C)[C@H]2CC[C@@H](CN3CCC(N4C(=O)Cc5ccccc54)CC3)[C@H]1C2 261176981 VBVYMUJWPFCVLU-CMKODMSKSA-N 352.522 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccccc3F)c1)CC2=O 587467799 SFRFZMKOLLGKIS-FQEVSTJZSA-N 366.392 4.376 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](c3ccnn3C)C1)CC2=O 587473964 AVONIEJPKUSHQO-SZNDQCEHSA-N 354.450 4.140 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2F)N1 587727253 NDBVNWVRRVQKTG-PWJLMRLQSA-N 356.185 4.490 0 1 FIAF O=Cc1ccc(OCc2occc2-c2nc3cc(Cl)ncc3[nH]2)cc1 586900480 KKUVJYGSWDIRCE-UHFFFAOYSA-N 353.765 4.263 0 1 FIAF Cc1ccnc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587802795 NRTUVKGXJZPZLO-QGHHPUGFSA-N 374.257 4.397 0 1 FIAF Nc1cccc(O)c1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587250847 STTGCZLOJUHLAQ-UHFFFAOYSA-N 372.144 4.299 0 1 FIAF Cn1c(=O)sc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587539314 VHQHMOYIJDETOK-GOSISDBHSA-N 365.454 4.185 0 1 FIAF CCCOc1cc2nc(COC(F)(F)F)[nH]c2cc1Br 587123111 GRHKHHKZIUXZEE-UHFFFAOYSA-N 353.138 4.151 0 1 FIAF Clc1cnc2[nH]c(CCNc3ccc(Br)cc3)nc2c1 586995734 NJLIWNGWKFVOCU-UHFFFAOYSA-N 351.635 4.028 0 1 FIAF O=C(c1cc2cccc(F)c2s1)n1ncc2ccc(Cl)cc2c1=O 587652614 WTQRTNVECVQJDD-UHFFFAOYSA-N 358.781 4.092 0 1 FIAF CSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1 587534444 ZHIXCWIZUZYZNV-HNNXBMFYSA-N 360.866 4.437 0 1 FIAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1 587084745 SGBQHJLSHYCIRF-UHFFFAOYSA-N 350.205 4.037 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ncon3)c1)CC2=O 587487263 WFKRERYLESKVIA-SFHVURJKSA-N 350.374 4.101 0 1 FIAF CC(C)Oc1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 587117010 POTWFEWAMKOZOO-UHFFFAOYSA-N 358.751 4.423 0 1 FIAF Cc1cccc2c1[nH]c1nc(-n3nc4cc3Oc3ccc(F)cc3-4)nnc12 587875914 OTJKYGBFVUYSLM-UHFFFAOYSA-N 358.336 3.912 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCC(=O)Nc3ccc(F)cc31)CC2=O 587472399 PQUMOESKBCIUMH-OAQYLSRUSA-N 369.392 4.077 0 1 FIAF COc1cc2c3c(c1)O[C@@H]([C@H](C)c1cccc(Br)c1)[C@@H](C2)C3=O 587417806 MHQXGARSKWEFPH-XAILHKCVSA-N 373.246 4.377 0 1 FIAF CC1(C)CC2(CC(C)(C)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598368 XNSXEBDUFGMDLU-KRWDZBQOSA-N 367.445 4.033 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C=O)cc2)N1 587815500 NBDTYZCROAWGKE-VOJFVSQTSA-N 362.242 4.198 0 1 FIAF O=C1C[C@@H](c2cnc(N3CCCC3)s2)Oc2c1ccc1c2CCCC1 587535472 LCUQWFBEFYARFF-KRWDZBQOSA-N 354.475 4.329 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c3c(c1)OCCCO3)O2 587379326 HWVXBFSMGARNOW-MRXNPFEDSA-N 359.809 4.098 0 1 FIAF Cc1cccc(N)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587750048 REEAGSSUUUDJGT-ZMZPIMSZSA-N 363.274 4.277 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccnc2F)N1 587738014 JGIGIMROXLYUSC-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF Fc1cc(Cl)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 587117227 FMIVZNGUCXLKIZ-UHFFFAOYSA-N 358.726 4.496 0 1 FIAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 587247564 PEJHEQDBKBCSGM-UHFFFAOYSA-N 353.385 4.359 0 1 FIAF CC(C)(C)OC(=O)NCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104893 WPOAVCIIWNJVMU-UHFFFAOYSA-N 360.413 4.471 0 1 FIAF CC[C@H](Oc1ccccc1Cl)c1nc2nc(Br)c[nH]c-2n1 587061438 GQHVBYHDXADTPQ-VIFPVBQESA-N 367.634 4.251 0 1 FIAF Cc1ccc([C@@]2(C(C)(C)C)NCCc3ccc(C(=O)N(C)C)cc32)c(C)c1 962926809 VJXNGJNOJZXJAQ-XMMPIXPASA-N 364.533 4.441 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCC(=O)O)c1ccncc1 963244390 WMYRDCQBTJULSB-VGOFRKELSA-N 352.478 4.237 0 1 FIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](C2CC3(CC3)C2)N1 963184426 PGBXALBBURNZQO-UONOGXRCSA-N 359.775 4.189 0 1 FIAF O=C(O)Cn1cc(Cc2nc3cc(F)c(F)cc3s2)c2ccccc21 11536234 IZFXTCQBFZQKFW-UHFFFAOYSA-N 358.369 4.205 0 1 FIAF Fc1ccc(C(OCCOC2C[C@@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1 12356200 KFPZVRTVZVHBSM-WCRBZPEASA-N 373.443 4.370 0 1 FIAF COc1ccc2c(c1)CC[C@H](CCN1CCN(c3ccccc3)CC1)C2 13760543 JDVVNXKPGXETDT-LJQANCHMSA-N 350.506 4.012 0 1 FIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2)C2=C(O)CCCC2=N1 19770210 AJEZSRMBOINRKV-JXFKEZNVSA-N 367.445 4.217 0 1 FIAF CC1(C)O[C@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@@H]1C(=O)O 1648740 QSPIKFKGKSSIKJ-BCTVWOGZSA-N 357.237 4.375 0 1 FIAF CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@H]3[C@H](O)C[C@]21C 7997868 QTTRZHGPGKRAFB-VGJUFFOZSA-N 370.533 4.497 0 1 FIAF CCSc1nc2sc(CC)c(C)c2c(=O)n1-c1ccc(OC)cc1 28949120 FUXFJWKDEVBCCA-UHFFFAOYSA-N 360.504 4.439 0 1 FIAF CN(CCOc1ccc(-c2ccccc2)cc1-c1cccs1)CC(=O)O 28958313 XNKGZBQFNQDZKQ-UHFFFAOYSA-N 367.470 4.477 0 1 FIAF COc1ccc(-c2nc3ccccc3o2)cc1I 28964902 RCSICSDBDPHWPF-UHFFFAOYSA-N 351.143 4.108 0 1 FIAF CC(=O)Oc1ccc2c(C)cc(=O)oc2c1Cc1c(C)[nH]c2ccccc12 29062830 NOHJDCHBUWPAMY-UHFFFAOYSA-N 361.397 4.407 0 1 FIAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(c3ccccn3)C[C@@H]2C1 36289105 QFURDKZFPGIQLC-JTHBVZDNSA-N 359.517 4.260 0 1 FIAF Cc1[nH]c2cc(NS(=O)(=O)c3ccccc3)ccc2c1-c1ccncc1 36338546 MIVPQDBOVXVFGV-UHFFFAOYSA-N 363.442 4.339 0 1 FIAF O=C1O/C(=C/Br)CN(Cc2ccccc2)[C@H]1c1ccccc1 84690335 PTTCWDFAEMSNJG-YTBHAWNYSA-N 358.235 4.023 0 1 FIAF CCOC(=O)Cc1ccc([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)cc1 89456697 VBKCUHAAVWDGKY-HXUWFJFHSA-N 368.864 4.162 0 1 FIAF COc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)ccc1-n1cnc(C)c1 95558647 LUWKNOZCOHZTLD-APSNUPSMSA-N 365.820 4.335 0 1 FIAF Nc1ccc(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 95595083 JKOKOTLTKNIVJK-UHFFFAOYSA-N 367.619 4.099 0 1 FIAF CC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccncc2)/C1=C(\O)OC(C)C 100030563 RECAQTYPABAFNL-CQGUWYRNSA-N 358.438 4.060 0 1 FIAF [C-]#[N+]c1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 261192709 ZSOBHEWQZLGNHC-XJKSGUPXSA-N 351.410 4.182 0 1 FIAF O=C(N1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1)n1cncn1 299856784 CBZRKCOWJVRBOY-UHFFFAOYSA-N 368.440 4.328 0 1 FIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 586879503 JREMEBXRGXDSPB-UHFFFAOYSA-N 371.396 4.002 0 1 FIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccc(C(N)=O)c3[nH]2)c1 586882170 LDAPATINOWGPDF-UHFFFAOYSA-N 369.424 4.177 0 1 FIAF CCOc1n[nH]c(-c2nc3cccc(C(C)(C)C)c3[nH]2)c1Br 586980418 YEISUCXZOSCUOQ-UHFFFAOYSA-N 363.259 4.412 0 1 FIAF Cc1cc2c(Br)ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2o1 587003237 HUDRBKWRPSKPKL-UHFFFAOYSA-N 369.222 4.331 0 1 FIAF COc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2n1 587123081 QYVLTEXSRDOFDI-UHFFFAOYSA-N 369.368 4.299 0 1 FIAF C[C@@H]1CCCC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355086 SFBDGJMWBKRESO-ZPDQPEGFSA-N 354.377 4.018 0 1 FIAF C[C@@]1(c2cncs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587373041 KRUIQLOAZFSCMK-MJGOQNOKSA-N 355.390 4.262 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1nc4ccccc4n1CC(C)C)[C@@H](C2)C3=O 587433240 WSTJNBOGHDFBKC-BTYIYWSLSA-N 362.429 4.190 0 1 FIAF CCN(CC)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587741766 PATAXSLUMDPQGN-PXAZEXFGSA-N 357.311 4.070 0 1 FIAF Cc1nn(C(C)C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587763770 MHCHDKMTJICCHK-DYZYQPBXSA-N 366.278 4.298 0 1 FIAF CC(C)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)no1 587793854 LVPYHYWHZIXHOJ-JDNHERCYSA-N 353.235 4.323 0 1 FIAF Cc1[nH]c2ncccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587806137 VAYPHUUWWCFHRL-XYZCENFISA-N 374.257 4.397 0 1 FIAF COc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810948 YPFQKWZELHPAPA-ADLMAVQZSA-N 364.258 4.395 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 587820543 AGNIDVCDKDFCAY-LWWVPINZSA-N 374.297 4.096 0 1 FIAF COc1cc(-c2ccccc2)c(OC)n1-c1cnc(C)c(Br)n1 587939373 CGZCFHYUUFBHCU-UHFFFAOYSA-N 374.238 4.022 0 1 FIAF Cn1cc(C(=O)c2nc(-c3cn(C)c4ccc(F)cc34)no2)c2ccccc21 2382256728 JEHLDJWTDNJXBA-UHFFFAOYSA-N 374.375 4.090 0 1 FIAF O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1Cl 4917761 HCFMUVGPKQDWNX-UHFFFAOYSA-N 354.793 4.367 0 3 FIAF COc1cc(C[C@@H](CC(=O)O)C[C@H](C)OCc2ccccc2)cc(OC)c1 7039559 XTQXBGGKYKPJDW-WMZOPIPTSA-N 372.461 4.333 0 3 FIAF C[C@H]1CCCN(C(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)C1 6771956 JOEPWNKHNANQRL-LBPRGKRZSA-N 357.454 4.313 0 1 FIAF O=S(=O)(c1ccc(/C=C/c2ccccc2F)nc1)c1ccccc1F 28889297 AMJJFRAHQZYBJE-MDZDMXLPSA-N 357.381 4.363 0 1 FIAF COc1cc(CCN[C@H](C)COc2c(C)cc(Cl)cc2C)ccc1O 66166916 UIIFVEDLKPJKIY-OAHLLOKOSA-N 363.885 4.271 0 1 FIAF COc1ccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)cc1 73387050 HYOWGHSHZCRQHJ-UHFFFAOYSA-N 369.465 4.492 0 1 FIAF CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccncc1)c1ccccc1 72179804 KLECJQJFEHFTKX-HXUWFJFHSA-N 370.456 4.361 0 1 FIAF CCOc1cccc(-c2nc(CNCCc3ccccc3OC)co2)c1 72186629 WCYWSXMORZUDQA-UHFFFAOYSA-N 352.434 4.081 0 1 FIAF CCCN1CC(=O)N(C)c2ccc(Br)cc2[C@H]1c1ccccc1 1911576806 OQDCJFGZSBZDMF-LJQANCHMSA-N 373.294 4.227 0 1 FIAF O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 49035188 BULPDQLGDINAMU-UHFFFAOYSA-N 351.446 4.290 0 1 FIAF COc1cccc(CNc2cc(Oc3cccc(F)c3)ncn2)c1OC 82067646 GOWLMCCRWYVNCO-UHFFFAOYSA-N 355.369 4.037 0 1 FIAF CCOC(=O)c1c(-c2ccc(OC)cc2)oc2c1[C@H](OC(C)=O)CCC2 95598831 YJRIICGVXPHCMC-OAHLLOKOSA-N 358.390 4.072 0 3 FIAF CCn1cc([C@@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587503577 HSLLGMXKMZEOAN-HXUWFJFHSA-N 360.404 4.216 0 1 FIAF FC(F)(F)Oc1cccc(CSCc2nc3cnc(Cl)[nH]c-3n2)c1 587125680 SLPJNULKSJAZIS-UHFFFAOYSA-N 374.775 4.290 0 1 FIAF Cc1cc(Br)c2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2c1 587158833 XZTHBPWHIACOPA-APPDUMDISA-N 360.230 4.114 0 1 FIAF N[C@@H](Cc1nc2ccnc(Br)c2[nH]1)c1cccc2ccccc12 587258668 INEQADLVTIJLNO-AWEZNQCLSA-N 367.250 4.116 0 1 FIAF O=C1c2ccccc2-c2cc(-c3[nH]nc4ncccc34)nc3ccc(O)c1c23 586989810 QZNJEQRJZUPRID-UHFFFAOYSA-N 364.364 4.090 0 1 FIAF CCCc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409769 WLQALJDYANFULI-JOCHJYFZSA-N 367.445 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C)c(Br)c1)[C@@H](C2)C3=O 587414905 YJRHDZQTJMZRIQ-UGSOOPFHSA-N 359.219 4.255 0 1 FIAF FC(F)(F)CCc1ocnc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587092209 OFVUBWNSZVGIMZ-UHFFFAOYSA-N 350.222 4.127 0 1 FIAF Fc1c(Cl)cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1F 587092608 XGMWYPOVVANEKF-UHFFFAOYSA-N 363.673 4.498 0 1 FIAF Cc1c[nH]c2c1[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804482 RCDDBTBLQAVPEJ-BBATYDOGSA-N 363.274 4.339 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(F)c1O 587554370 DDDCPZSWLZLRIV-OXJNMPFZSA-N 370.307 4.079 0 1 FIAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587529270 MQGNPKKFHWTDNJ-RWGOJESNSA-N 354.446 4.180 0 1 FIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 587075866 NRZMCFVWSOEYQS-QGZVFWFLSA-N 366.812 4.101 0 1 FIAF Cc1cncc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587117711 VIMLPJDLNGHCKA-UHFFFAOYSA-N 369.778 4.255 0 1 FIAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 587078849 CFNTYXQSKOXMBM-ZETCQYMHSA-N 354.744 4.372 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)C[C@H](C)N3C)CC2=O 587475445 LYLSNCOYYAVOHY-YEJXKQKISA-N 351.446 4.432 0 1 FIAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ncc[nH]c-3n2)c(Cl)c1 587158635 IHRKHCDSFUTEKS-OAHLLOKOSA-N 354.772 4.265 0 1 FIAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cncnc3[nH]2)c(Cl)c1 587159038 LJPAGHPYKOSKTH-MRXNPFEDSA-N 354.772 4.314 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nccnc1-c1ccc(Cl)cc1)O2 587379520 JBOZJSSGGVHKJO-KRWDZBQOSA-N 365.820 4.394 0 1 FIAF COc1cccc(C2(c3nc4cc(C(=O)O)c(F)cc4[nH]3)CCCC2)c1 587930026 CDXQEPSEJJIHRU-UHFFFAOYSA-N 354.381 4.269 0 1 FIAF CCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1Cl 116231826 KFELTBOHQLRBBX-UHFFFAOYSA-N 370.188 4.048 0 1 FIAF Cc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)s2)o1 13436245 LJQZWLHYDKWZIL-UHFFFAOYSA-N 353.852 4.435 0 1 FIAF COc1ccc(OC(=O)[C@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@@H]2N3C)cc1 169316577 IUPUVKOJONOTAC-XGARDCMYSA-N 365.473 4.176 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714108 KTLWATLWLZJCED-LNNIFQIBSA-N 372.553 4.174 0 1 FIAF COc1ccc(-c2ncccc2-c2nc3cc(OC)c(OC)cc3[nH]2)cc1 1857619972 QEMIPDBEAOPLBI-UHFFFAOYSA-N 361.401 4.318 0 1 FIAF C[C@H](C(=O)COCc1ccccc1)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C 1861640 YYOPTHXSDWHHKU-SGANQWHYSA-N 367.426 4.263 0 1 FIAF FC(F)(F)c1cccc(-c2ncnn2-c2ccc(Br)nc2)c1 2501425 WCWZPCYJRAAWMG-UHFFFAOYSA-N 369.144 4.111 0 1 FIAF COc1ccc(C[C@@H]2CCCc3c(C=O)nn(-c4ccc(F)cc4)c32)cc1 26574570 FRJPJBMILQXBLD-INIZCTEOSA-N 364.420 4.495 0 1 FIAF COc1cccc(C(=O)[C@](C)(NC(=O)c2cccc(OC)c2C)C(C)C)c1 27547635 ZDWVHARGTDKNRD-JOCHJYFZSA-N 369.461 4.040 0 1 FIAF O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cccc(F)c2)cc1 28386203 RMVIWRMAYPLYSC-HSZRJFAPSA-N 374.459 4.497 0 1 FIAF CC(C)N1C[C@@H](CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21 28571213 QPMKLHVPIXWKHL-GOSISDBHSA-N 367.468 4.115 0 1 FIAF CCCCNC(=O)Oc1cccc(C(=O)c2nc3ccccc3s2)c1 28710796 PPCANPRJKPKREY-UHFFFAOYSA-N 354.431 4.416 0 1 FIAF O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CC3)c1ccc(F)cc1 34648205 VFYQZTSTHAKQER-SFTDATJTSA-N 364.464 4.023 0 1 FIAF O=C(NCC1[C@@H]2CN(CC3CCCC3)C[C@H]12)c1cc(Cl)cc(Cl)c1 66147930 RUZUQFYMMUPIPE-AYHJJNSGSA-N 367.320 4.091 0 1 FIAF CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 73162509 UNZXBJWJOJHCGD-KUQPNYIISA-N 374.521 4.059 0 1 FIAF CCCCCOc1ccccc1-c1cc(C(=O)Nc2nnc(C)s2)no1 96913504 YPNIPNHIAODQPC-UHFFFAOYSA-N 372.450 4.323 0 1 FIAF O=C(CCCN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1)C2)c1ccc(F)cc1 101023302 CPDKHEPGGZULPR-NHCUHLMSSA-N 367.464 4.303 0 1 FIAF Cc1ccoc1CN(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 101151887 BGECMWFZHVFBGB-REPLKXPHSA-N 354.450 4.356 0 1 FIAF CCCCCOC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C 103184282 RYDFYLZRPMLZSI-UHFFFAOYSA-N 369.465 4.310 0 1 FIAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccc(F)c1 103948593 ZKMWLWMKBZPYQW-CYBMUJFWSA-N 357.410 4.257 0 1 FIAF CS(=O)(=O)Nc1ccc(-c2cncc3ccccc23)c(C(F)(F)F)c1 114028090 CXXLHUCGEXWBBU-UHFFFAOYSA-N 366.364 4.292 0 1 FIAF CCCCC[C@H](O)[C@@H](/C=C/[C@@H](O)CCCCCCCC(=O)O)OCC 115330342 IEEBTNFNSJRPDT-ZCLIZIHASA-N 358.519 4.065 0 1 FIAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(CC(F)(F)F)n1 299823018 JJGXXKFMWXTDDS-WCBMZHEXSA-N 374.313 4.491 0 1 FIAF O=C1Nc2ccccc2C[C@]12CCCN2Cc1ccc(C(F)(F)F)cc1 299850258 VEGOYTKRNJZKLS-LJQANCHMSA-N 360.379 4.235 0 1 FIAF COc1cc(/C=C\c2nc3ccc(CCO)cc3[nH]2)ccc1Br 586977439 OWBVOYZKDZFDTM-DAXSKMNVSA-N 373.250 4.039 0 1 FIAF Clc1cnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1Cl 587042684 VYAIHHHKSKNHDR-NEPJUHHUSA-N 365.289 4.211 0 1 FIAF Fc1cnc(Br)c2nc(-c3ccc(OC(F)F)cc3)[nH]c12 587130673 ODUYBMLCXZPKLH-UHFFFAOYSA-N 358.117 4.128 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nn(-c3ccccc3)c1C)O2 587388736 AKZZXNCVSLVNAD-QFIPXVFZSA-N 361.445 4.260 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc4cccnc14)[C@@H](C2)C3=O 587419457 FGFQXOQJBCWXEG-MGPUTAFESA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(Cl)ccc4n1C)[C@@H](C2)C3=O 587423526 UZSREHYQGAANCK-VBKZILBWSA-N 353.805 4.329 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cc(F)cc1OC)CC2=O 587465106 ALXXEGJSUFGNPW-GOSISDBHSA-N 360.381 4.208 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3n1CC)CC2=O 587474787 IMYRMFCLOGTJAJ-IBGZPJMESA-N 350.418 4.421 0 1 FIAF COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](N=O)C2 587506943 PBLFXYOSLXXWQR-IRLDBZIGSA-N 363.413 4.126 0 1 FIAF COc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587511478 GWMWFLYZZNFQKL-OAQYLSRUSA-N 374.440 4.466 0 1 FIAF COC(=O)[C@H]1CCC(C)(C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527528 WCYUDDBVCKELIJ-VGSWGCGISA-N 356.462 4.269 0 1 FIAF CC(C)Cn1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587764788 QXFZOEOCWQCZOE-PIGZYNQJSA-N 366.278 4.064 0 1 FIAF Cc1cccc2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n12 587773483 JCXITYWEUDHXSL-YPMLDQLKSA-N 374.257 4.168 0 1 FIAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587824342 ZTDBCAFGMGYPHF-ZMZPIMSZSA-N 364.258 4.400 0 1 FIAF CCC[C@H](O)[C@]1(CCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587826045 JLGFCPHESSBDBL-YLVFBTJISA-N 358.295 4.279 0 1 FIAF COc1ccc2c(=O)c([C@@H]3c4c(F)cccc4C[C@@H]4CCCN43)coc2c1 963099285 JLMFZPMGEVOHFE-LHSJRXKWSA-N 365.404 4.051 0 1 FIAF C[C@@]1(Cc2c(Cl)cccc2Cl)NCCc2c(C(=O)O)cccc21 963123376 OFYZUYLPKQOFQM-SFHVURJKSA-N 350.245 4.295 0 1 FIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](C2CC3(CC3)C2)N1 963184430 PGBXALBBURNZQO-ZIAGYGMSSA-N 359.775 4.189 0 1 FIAF Cc1ccc(S(=O)(=O)N2N=C3CCC[C@H]3[C@@H]2c2ccc(F)cc2)cc1 1857549494 ORETWNHURJXTFQ-MJGOQNOKSA-N 358.438 4.036 0 1 FIAF CC(C)(C)c1ccc(-c2cnc3cnc(-c4cccc(C(N)=O)c4)cn23)cc1 1857597899 QGJFBRNPUMPPBD-UHFFFAOYSA-N 370.456 4.460 0 1 FIAF CC1=C2C=C3CCCN4CCCC(=C2OC(O)=C1CNC1CCCCC1)[C@H]34 2356827226 HOLJEVHIJSVACA-NRFANRHFSA-N 368.521 4.477 0 1 FIAF COc1cccc(NC(=O)c2cnc3c(Cl)c(C(C)(C)C)nn3c2C)c1 2382243115 GPCNUEVCRBYKCY-UHFFFAOYSA-N 372.856 4.250 0 1 FIAF Cc1c(-c2ccc([C@@H](C)N)cc2)ccc2c3ocnc3c(=O)n(C3CC3)c12 2382247298 SRLGQNFTBJIZTE-CYBMUJFWSA-N 359.429 4.473 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474094 NDVMSTHWOUOSMI-ZWKOTPCHSA-N 364.445 4.261 0 1 FIAF CCCOc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1CN1CCCCC1 13557348 GDCGIHOHEJXVRS-QUCCMNQESA-N 358.526 4.250 0 1 FIAF COc1c2c(cc3c1[C@H](OC)[C@@H](O)[C@@H](c1ccccc1)O3)OC(C)(C)C=C2 14885791 GCEYXEPIXWDBIE-ZVDOUQERSA-N 368.429 4.062 0 1 FIAF biogenic COc1ccc(C(=O)c2c(C)n([C@H]3CCCN(C)C3)c3ccccc23)cc1 26277817 OUKBSTBITAPCNA-SFHVURJKSA-N 362.473 4.456 0 1 FIAF CS(=O)(=O)Nc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 26287026 DTTTZZCMPBDZIE-UHFFFAOYSA-N 366.486 4.265 0 1 FIAF Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(Cl)c(Cl)c2)n1 28003414 PWASGJZOQDMSDD-UHFFFAOYSA-N 358.232 4.104 0 1 FIAF O=C1OCC(Nc2cc(F)cc(F)c2)=C1c1ccc(Br)cc1 72119632 ZJBSCFBLLTWDHQ-UHFFFAOYSA-N 366.161 4.107 0 1 FIAF COc1ccccc1-c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1 72178885 PMLWFIPLCSSXJI-UHFFFAOYSA-N 354.431 4.461 0 1 FIAF CCOC(=O)c1c(O[C@H]2CCC[C@@H](C)C2)cc(Cc2ccccc2)[nH]c1=O 95589833 OTMBEBSONSTDDC-QAPCUYQASA-N 369.461 4.100 0 1 FIAF CN(C)C(=O)Oc1ccc(OCCOc2ccc(C(F)(F)F)cc2)cc1 103205134 IFCZGQQMRKMIHG-UHFFFAOYSA-N 369.339 4.224 0 1 FIAF Cc1ccc(-c2cn(CCCCCn3cccc(O)c3=S)nn2)cc1 103255701 XJIISYNHFPVOKX-UHFFFAOYSA-N 354.479 4.361 0 1 FIAF CC(C)(C)NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 103300919 TZVCWCPZUHJTPD-UHFFFAOYSA-N 362.417 4.046 0 1 FIAF FC(F)(F)c1cc(Nc2ccc([C@H]3CNCCO3)cc2)ncc1Cl 149992141 DBGUEDAIQPJBQO-CQSZACIVSA-N 357.763 4.158 0 1 FIAF C[C@]12CCC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](C(=O)c3ccc[nH]3)CC[C@@H]12 169369989 XGBWNEKVHQUBJF-MQBPJHHZSA-N 368.521 4.335 0 1 FIAF CC(C)Oc1cc2nc(-c3cccc(CO)c3)[nH]c2cc1Br 586894661 ALPURJFKRVTGRE-UHFFFAOYSA-N 361.239 4.272 0 1 FIAF O=C1c2ccccc2-c2c(Cc3ccc(O)cc3)cnc3ccc(O)c1c23 586992445 XAWFGAWWRONCBK-UHFFFAOYSA-N 353.377 4.448 0 1 FIAF Cc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1C 587014210 MQCWIMDXMNOFLA-UHFFFAOYSA-N 358.467 4.328 0 1 FIAF N=C(N)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587015739 JOABEBSNOFNISG-UHFFFAOYSA-N 353.838 4.291 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 587232817 BLBDGUPAHPDLMW-QWHCGFSZSA-N 358.486 4.416 0 1 FIAF Oc1nc(O)c2ccc(-c3ccc(Oc4ccc(F)cc4F)cc3)nc2n1 587368667 UUWHGLDGERPEOG-UHFFFAOYSA-N 367.311 4.174 0 1 FIAF CCOc1cc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587373344 CQZZEZLPYJZFPO-MRXNPFEDSA-N 361.825 4.344 0 1 FIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Br 587377327 MKMFJIYNWGLGEE-HNNXBMFYSA-N 362.223 4.055 0 1 FIAF CC[C@H](C)Oc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587399694 JGRLESHBKQATGA-DJJJIMSYSA-N 355.434 4.470 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4nc1Cl)[C@@H](C2)C3=O 587422287 SRAGJIAAQNXVSV-ORAYPTAESA-N 351.789 4.386 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N1CCCC[C@H]1CC)CC2=O 587477479 RMCMWUCIOJGNJG-IVZQSRNASA-N 373.493 4.250 0 1 FIAF O=C1C[C@H](c2cccc3c2OCCCO3)Oc2c1ccc1c2CCCC1 587536799 WORZNICNLQAQQI-HXUWFJFHSA-N 350.414 4.433 0 1 FIAF CCN(CC)CCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569637 GVHLDQBRXGGFKB-UGKGYDQZSA-N 369.461 4.235 0 1 FIAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587572093 NFRGVICYOHBIKZ-DENIHFKCSA-N 361.397 4.161 0 1 FIAF CCCCn1ccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587758458 XOXZIDSBBFIDOH-BZNIZROVSA-N 366.278 4.208 0 1 FIAF Cc1ccc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2c1 587771197 BPDUYMLLWXOAOM-ZMZPIMSZSA-N 374.257 4.168 0 1 FIAF Cc1cc(O)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587835504 XOLICIDYJMRHAV-VOJFVSQTSA-N 364.258 4.400 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2OCC3)N1 587837043 YYVCLSICRHXFLD-DYZYQPBXSA-N 362.242 4.147 0 1 FIAF CCC1(CC)OC[C@H]([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)O1 587838050 ABTHOQARKGUFTA-GTTSAUCSSA-N 372.278 4.095 0 1 FIAF CC(=O)SCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587847662 UZZKDIRHXKCUMX-VFZGTOFNSA-N 360.292 4.223 0 1 FIAF Oc1cc(C2CCCCC2)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 587946077 JJQKNELHEIQSNY-UHFFFAOYSA-N 367.424 4.456 0 1 FIAF COC(=O)C[C@]1(c2ccc(Cl)cc2)c2c(F)cccc2C[C@H]2CCCN21 963108463 PAXMYXONMAQGFV-UTKZUKDTSA-N 373.855 4.306 0 1 FIAF Nc1ccc2c(c1)C(=C(c1ccccc1)c1nc3ccccc3[nH]1)C(=O)N2 1857624548 VUGNKDMNPGNWRJ-UHFFFAOYSA-N 352.397 4.056 0 1 FIAF O=C(Nc1cccc2cccnc12)N1CCN(c2cccc3[nH]ccc23)CC1 1857766834 RWPOXVOYEGNONC-UHFFFAOYSA-N 371.444 4.070 0 1 FIAF CCCCCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@@H]1CC=CCCC(=O)O1 2356457011 ZMCHHZFBGBLCJE-SSTJLMRISA-N 362.510 4.079 0 1 FIAF CCCn1nc2cc(C(=O)N[C@@H]3CCc4ccccc43)ccc2c1OCC 8628408 LZUPOYCNCCUXDA-LJQANCHMSA-N 363.461 4.262 0 3 FIAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3ccccc3C)cs2)c1 61928396 NFEMSMQIOSTDMV-LJQANCHMSA-N 352.459 4.353 0 3 FIAF S=c1nc2ccccc2c2nc(-c3ccccc3Br)[nH]n12 103880767 SGCZTFQFQKZLFZ-UHFFFAOYSA-N 357.236 4.370 0 3 FIAF Cc1cc(C)c2nc(N3CCC[C@H](C(=O)NCc4ccco4)C3)sc2c1 5107504 NEZHHZPCYBANIF-HNNXBMFYSA-N 369.490 4.039 0 1 FIAF O=C1[C@H]2[C@H]3S[C@H](c4ccc5ccccc5c43)[C@H]2C(=O)N1c1ccccc1 5883320 ZFPGOEXUFNQOHD-NMLBUPMWSA-N 357.434 4.488 0 1 FIAF O=C(NCc1ccc(F)cc1)c1ccc2c(Cl)c3c(nc2c1)CCC3 6738822 HDXFXDSTIIJRHX-UHFFFAOYSA-N 354.812 4.446 0 1 FIAF O=C1C[C@@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ccccc21 12356209 JFVJCLYJXOVMSI-INIZCTEOSA-N 365.448 4.166 0 1 FIAF COc1cc(OC)c(CCC(C)(C)O)c2c1CC[C@@H](c1ccccc1)O2 14614022 LUGSEMDQUBBXEJ-SFHVURJKSA-N 356.462 4.474 0 1 FIAF biogenic S=C1NC2=C(CSC/C2=C\c2ccccc2)[C@H](c2ccccc2)N1 18212753 CSBPYIQKOFCNHJ-FYXHJSOBSA-N 350.512 4.290 0 1 FIAF Cc1ccc2cc(Cn3ccc4c5c(N)nc(N)nc5ccc43)ccc2c1 26187974 JTLIRYUNLKMCEG-UHFFFAOYSA-N 353.429 4.259 0 1 FIAF CC(C)c1noc(-c2ncn3c2CN=C(c2ccccc2)c2ccccc2-3)n1 26391379 ZEPTZKCGFWHZAD-UHFFFAOYSA-N 369.428 4.397 0 1 FIAF O[C@@H]1CCCN(CCCCOc2ccccc2/C=C/c2ccccc2)C1 27714050 QLOAZMJZUITTOX-JXVRESAISA-N 351.490 4.473 0 1 FIAF CSC(=O)C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 27869424 HEHYGLAJNXTTKQ-DWXZBXMZSA-N 360.519 4.347 0 1 FIAF O=C(CN1C(=O)CS[C@@H]1c1ccccc1)Nc1cccc2ccccc12 28384406 DEKCMVJSKDAGGJ-OAQYLSRUSA-N 362.454 4.053 0 1 FIAF CC[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccc(Br)cc1 29416679 IUCOGAQKZSXRAC-FCLJQHQZSA-N 366.299 4.111 0 1 FIAF CC(C)(C)c1ccc(OC(=O)C[C@@H]2CC(c3ccc(O)cc3)=NO2)cc1 34633607 WOLOAMSCBJWWCF-SFHVURJKSA-N 353.418 4.178 0 1 FIAF COc1ccc([C@](O)(Cc2ccccc2)c2ncnc3ccccc23)cc1 39094929 UPHWXBPODBZMAV-HSZRJFAPSA-N 356.425 4.117 0 1 FIAF NC(=S)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccc(Cl)cc1 43018199 VDUIVKIWQRPGRZ-HNNXBMFYSA-N 355.850 4.481 0 1 FIAF O=C(Nc1ncnc2nc(-c3ccc4ccccc4c3)[nH]c12)c1ccccc1 58608569 YLJJCENBZJQBCG-UHFFFAOYSA-N 365.396 4.425 0 1 FIAF CCCCn1c2ccccc2c2ccnc(CNCCN(CC)CC)c21 72118542 MTZWQKDYHGBUDB-UHFFFAOYSA-N 352.526 4.421 0 1 FIAF COc1ccc(CS/C=C\C[S@](=O)Cc2ccc(OC)cc2)cc1 73197641 UWKWFEJGMAIOMN-RJHSGZPESA-N 362.516 4.400 0 1 FIAF CC(C)(C)OCc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)cc1 84730228 YYEDEYQFMRQOSE-UHFFFAOYSA-N 370.474 4.356 0 1 FIAF CCN1CCC[C@H]1CNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 96286366 MIVPAVKZLOYJFK-FQEVSTJZSA-N 371.488 4.446 0 1 FIAF COCO[C@H]1C[C@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@H]1N2C 101038306 VFUQRJKBLCJEIH-MBDNFAEBSA-N 367.489 4.017 0 1 FIAF C[C@@]12CCCC(COC(=O)c3ccc(F)cc3)=C1C(=O)O[C@H]2c1ccoc1 103206632 KNMDFNMQJRASFD-GHTZIAJQSA-N 370.376 4.360 0 1 FIAF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1OC(=O)c1cccc(F)c1 103206849 LBMYFXKOPSUDBH-PLMTUMEDSA-N 370.376 4.359 0 1 FIAF CCCCNc1ncc(-c2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 103242265 OYQORZDLJYKSEI-CALCHBBNSA-N 358.461 4.210 0 1 FIAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@@H]21 104352443 VQHQLBARMFAKSV-KGWSWXIGSA-N 356.462 4.400 0 1 FIAF COc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 139806738 CFHXAIKVABZBSN-UHFFFAOYSA-N 368.440 4.304 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCSCC(=O)O 169338008 XSDONMUCMOXKHQ-PHUDDOSISA-N 370.555 4.457 0 1 FIAF Nc1nc2c(s1)[C@H](C(=O)NCc1ccc(Cl)cc1Cl)CCCC2 220883724 ZOCYHFYCWXDQHC-LLVKDONJSA-N 370.305 4.159 0 1 FIAF COC(=O)[C@]1(/C=C2\c3ccccc3[C@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 299811272 ASIWMRFKVKKMJP-NLIGRHFGSA-N 362.425 4.125 0 1 FIAF Cc1ccc(C)c(Cc2nc3c(C(=O)O)cc(Br)cc3[nH]2)c1 319413645 HIHAQVVUHCELHL-UHFFFAOYSA-N 359.223 4.231 0 1 FIAF COc1ccc(-c2c(C)nn3c(NCc4ccccn4)cc(C)nc23)cc1 473154410 HFDADTUWNICGHC-UHFFFAOYSA-N 359.433 4.029 0 1 FIAF COc1ccc(C=O)c2cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)oc12 586904579 XSWVVGXKHGLTBF-UHFFFAOYSA-N 364.254 4.354 0 1 FIAF COc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1 587018363 WVBLUPDIEDCDAY-UHFFFAOYSA-N 373.441 4.409 0 1 FIAF Clc1ncc2nc(COc3ccccc3C3SCCS3)nc-2[nH]1 587043097 YDNKHBYIZCKXPU-UHFFFAOYSA-N 364.883 4.016 0 1 FIAF Oc1nncc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587140937 JXILCYNQUBWDGH-UHFFFAOYSA-N 370.384 4.296 0 1 FIAF COc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1F 587232007 KSVBZHSBYPKPNL-UHFFFAOYSA-N 351.381 4.260 0 1 FIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cnc(Cl)[nH]c-2n1 587247423 LJNJOEDRBHKATC-UHFFFAOYSA-N 365.824 4.373 0 1 FIAF CC(C)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341191 WPLUORNLJDJLGS-YPTPAPEMSA-N 369.436 4.360 0 1 FIAF CC[C@@]1(C2CCNCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353450 ZHZVGOMYKMLTIN-UNMCSNQZSA-N 369.436 4.039 0 1 FIAF C[C@]1(c2ccns2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370327 AGXIKQBRHCHGAD-IEBWSBKVSA-N 355.390 4.262 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCc4[nH]c5ccc(F)cc5c41)[C@@H](C2)C3=O 587429028 SKVCGYQFHLMTIY-NYHFZMIOSA-N 363.388 4.295 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CC[C@@H](c4ccccc4)C[C@H]1OC)[C@@H](C2)C3=O 587441481 GZMCBQWZJKZHJV-NCTNWIFASA-N 364.441 4.164 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(C(=O)O)c1)CC2=O 587462959 RWTBREUAZTYGFD-QGZVFWFLSA-N 360.793 4.403 0 1 FIAF Cc1c(C(=O)O)[nH]c2c1[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587521115 AFTHLHZCJWIVIZ-JOCHJYFZSA-N 365.429 4.097 0 1 FIAF C[C@]1(c2cc(Cl)ccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545507 GWOOUAXLLJORJM-YLJYHZDGSA-N 367.788 4.318 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N)c(Cl)c2)N1 587694302 LDOYKIVWNSZDLT-ZKANADHPSA-N 369.665 4.447 0 1 FIAF CCSC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587848559 XNCYAQAQZKCPHN-VFZGTOFNSA-N 360.292 4.007 0 1 FIAF CCOC(=O)c1ccc2nc(C/C=C\c3ccc(OC)cc3OC)[nH]c2c1 587928425 BZLBMICPJVBHOZ-WAYWQWQTSA-N 366.417 4.013 0 1 FIAF Oc1ccc2c(c1)[C@](c1ccc(Cl)cc1)([C@H](O)c1ccccc1)NCC2 963343411 VRUNEQGMAIWAMZ-FGZHOGPDSA-N 365.860 4.169 0 1 FIAF CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(Cl)cn2)ccn1 1857649435 VCVRXCQLVOMSMK-UHFFFAOYSA-N 363.808 4.299 0 1 FIAF COC(=O)[C@@H]1CC[C@H]2[C@]3(CC[C@H]4C(C)(C)CCC[C@]42C)[C@@H](OC)OC[C@H]13 2356376009 LAVQAESMCHBXRC-ZZDPHURASA-N 364.526 4.417 0 1 FIAF CC(=O)[C@@H]1[C@H](N(C)C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356580064 KIIFJDKQTHOFGN-HNELQEGVSA-N 359.554 4.055 0 1 FIAF CCCCn1c(-c2cccnc2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21 15936798 ZOFZKOAVKIPGER-UHFFFAOYSA-N 361.449 4.258 0 3 FIAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1 774612 PNIUVIKIRBKIOU-AWEZNQCLSA-N 370.836 4.163 0 1 FIAF CC(C)c1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 2472343 KUNDQOUNLAGZRM-QZTJIDSGSA-N 351.429 4.269 0 1 FIAF CCN(CC)CCCNc1ncc(C)c2c1c1cc(OC)ccc1n2C 5139277 MVYWCDWMIOXEPZ-UHFFFAOYSA-N 354.498 4.187 0 1 FIAF OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1cc(Cl)cc(Cl)c1 7992159 ULBNKSMBQPHNIA-SQNIBIBYSA-N 351.229 4.429 0 1 FIAF COc1cc(O)c2c(c1)C[C@@H](CCCCCCCCCCCO)OC2=O 13460271 ZDPCSIHANCPXFE-QGZVFWFLSA-N 364.482 4.376 0 1 FIAF biogenic CN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2 13606911 XZCXTIFRGDGSBA-KPKJPENVSA-N 351.446 4.432 0 1 FIAF COc1cc(Cl)cc2c1Sc1ccccc1C[C@H]2N1CCNCC1 22459562 HXYCAICFUKZMTG-MRXNPFEDSA-N 360.910 4.002 0 1 FIAF CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)cc1 28363557 UOSTZGUQPUPGOE-UHFFFAOYSA-N 365.429 4.444 0 1 FIAF CC(C)(O)c1ccc([C@]2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1 45348050 HJOCSJIDBUPHMN-DEOSSOPVSA-N 365.517 4.412 0 1 FIAF CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Br)cc1 64415715 IQWYYRYKLGTTQE-KRWDZBQOSA-N 361.214 4.286 0 1 FIAF CCCC[C@]1(CC)CS(=O)(=O)c2ccccc2[C@@H](c2ccccc2)N1 67886737 RUWCWTXHTOBJIA-NHCUHLMSSA-N 357.519 4.492 0 1 FIAF O=C(Nc1cc(Cl)cc(Cl)c1)C1=C(O)[C@@H](c2ccccc2)OC1=O 101456111 YMQTUKGWLPJLEJ-OAHLLOKOSA-N 364.184 4.042 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC=C2c1cncnc1 146053860 YQPCBGGBIYJBGR-KUMSMFJKSA-N 363.505 4.159 0 1 FIAF CN1CCC(c2cc3c(-c4cccc(NCC5CC5)n4)ccnc3[nH]2)CC1 226090367 NGOCBVFPEURUQH-UHFFFAOYSA-N 361.493 4.256 0 1 FIAF CN1[C@H]2C[C@@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]1C[C@@H]2O 253638251 IKLFPVAAXYPLEK-UQVNRYHBSA-N 357.881 4.042 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc3ncccc3c2[nH]1 586917977 VJZWQPMIPALUFR-ZHRRBRCNSA-N 357.413 4.328 0 1 FIAF O=C(O)c1cccnc1SCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586967476 YYYGPGQPLQJRHR-UHFFFAOYSA-N 371.315 4.106 0 1 FIAF Clc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c(Cl)n1 587038618 AZEPJNIZCWOLBH-DGCLKSJQSA-N 365.289 4.211 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc12 587081727 ZHJVRVGATUKDQX-JTQLQIEISA-N 368.593 4.189 0 1 FIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(Br)c(F)c2[nH]1 587086985 AFZZNYYRQLKYAY-ZETCQYMHSA-N 360.177 4.214 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)C1CCCC1 587224158 GAIRNSJIZYSNGA-QGZVFWFLSA-N 373.453 4.090 0 1 FIAF C[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359268 RDXJYKKHMQCFCF-PZJWPPBQSA-N 356.393 4.076 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)N(Cc3ccccc3)[C@H](C)C1)O2 587400043 OBTGHDMGPYDZSI-GPVSGQMNSA-N 364.489 4.354 0 1 FIAF CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587401795 YNNHHJKFVAJWBI-BPXTYHSVSA-N 371.477 4.227 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4cccs4)s1)[C@@H](C2)C3=O 587452941 OIQZFLXIJYANFS-APPDUMDISA-N 355.440 4.369 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2ccc(N)cc21 587468743 DAHLYQDMRWHPAH-QFIPXVFZSA-N 367.445 4.349 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)ccc1OC)CC2=O 587484156 WXZIJOLCCQMLBN-OAQYLSRUSA-N 356.418 4.243 0 1 FIAF Cc1cccc2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n12 587586213 JIXBDAGJQICHDD-SIKLNZKXSA-N 372.380 4.051 0 1 FIAF COC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCCC1 587600198 MUBRKBXCYPACJX-XLIONFOSSA-N 354.402 4.072 0 1 FIAF CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2c(C)cc(Cl)cc12 587627511 ZWOCVHIABFDRMQ-UHFFFAOYSA-N 356.809 4.298 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CF)n2)N1 587721092 VNMRGTVVVTWTSA-JDNHERCYSA-N 353.210 4.076 0 1 FIAF CCOc1ccc(OCC)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587778176 KPKDMUBPFOMCPD-UHFFFAOYSA-N 351.328 4.441 0 1 FIAF Sc1nc(S)c2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 587955449 JXASYFUWDYNCNA-AWEZNQCLSA-N 364.499 4.305 0 1 FIAF CCCCOc1cc2[nH]c(/C=C/C=C/C(=O)O)nc2cc1Br 587964813 CNMRXLLKYJOEAO-YDFGWWAZSA-N 365.227 4.158 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2cccc(Cl)c2)([C@H](C)O)N1 962951911 PHCLWASAXCIWST-QSZISKGPSA-N 354.881 4.370 0 1 FIAF COc1cc([C@@H]2O[C@H](c3cc(O)c(OC)c(OC)c3)[C@H](C)[C@H]2C)ccc1O 2356304915 IEXPORSGDXJAPE-MWRFHTASSA-N 374.433 4.208 0 1 FIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2[C@H](OC)c3occ(C)c3[C@H](O)[C@@]2(C)[C@@H]1C 2356544052 ASJPEAYAKQIGTC-MEUQPWSQSA-N 362.466 4.253 0 1 FIAF C[C@]12CC[C@H]3O[C@@H](Cc4ccccc4)OC[C@]3(C)[C@@H]1CC[C@@H]1OC(=O)C[C@H]12 2356835666 KTVLKRWPABHONN-YPNMBDMMSA-N 370.489 4.119 0 1 FIAF COc1ccc2c(c1)[C@@H](NC(=O)c1ccncc1)[C@H](C)[C@H]2c1ccccc1 199724242 JBODAKVUYRMEGJ-YDFBLROQSA-N 358.441 4.343 0 3 FIAF COc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3ccccc32)cc1 586829 PSXRKZYICVBJMW-UHFFFAOYSA-N 352.434 4.137 0 1 FIAF CCn1c(=O)c(CCC(=O)O)c(-c2cccc(Cl)c2)c2ccc(C)nc21 1494052 XYFVLSWIYKWKTC-UHFFFAOYSA-N 370.836 4.062 0 1 FIAF in-vivo Cc1ccc2c(c1)C(N1CCN(c3ccccc3)CC1)=Nc1cccnc1N2 13492071 LSIKVLMXFWOPEC-UHFFFAOYSA-N 369.472 4.348 0 1 FIAF CCCCC(C(=O)Nc1ccc(O)cc1C)C(=O)Nc1ccc(O)cc1C 27442049 VZBDFVVRAGCYEC-UHFFFAOYSA-N 370.449 4.098 0 1 FIAF CC[C@H]1[C@H](C)C(=O)C[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 29222025 QFHHXPQTADJUKH-JVCFPVPWSA-N 367.533 4.312 0 1 FIAF CC[C@@H](CN(C(C)=O)c1cccc(Cl)c1)OC(=O)NCc1ccccc1 34587406 LBGQLNJXOGXXON-IBGZPJMESA-N 374.868 4.398 0 1 FIAF Cc1cc(-c2cncnc2N2CCC(c3[nH]cnc3C)CC2)ccc1F 36176416 NCYXZCBTHWJATE-UHFFFAOYSA-N 351.429 4.007 0 1 FIAF O=C1NC[C@@H](c2ccc(F)cc2)C12CCN(C1(C3CC3)CCCCC1)CC2 40566112 NAKJFKNFWPTOSL-FQEVSTJZSA-N 370.512 4.234 0 1 FIAF O=C(O)C1=CCN([C@@H]2CC[C@@]3(Cc4ccccc4Cc4ccccc43)C2)CC1 43202668 VFKIKYZNUCGJGD-RCZVLFRGSA-N 373.496 4.341 0 1 FIAF O=C(NC[C@H](c1ccc(Cl)cc1)n1ccnc1)c1cc2ccccc2o1 53294203 RVPUKSFQKZNXOL-QGZVFWFLSA-N 365.820 4.302 0 1 FIAF O=c1c(/C=C2\SC(=S)N=C2O)coc2c(Cl)cc(Cl)cc12 84671413 MIIPKTOSWAPRNE-OQYWKCLKSA-N 358.227 4.429 0 1 FIAF CCCCOc1cc(O)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)CC2=O 95564183 CCSPXDZIHGSYMT-GOSISDBHSA-N 372.417 4.295 0 1 FIAF CN(C)CCCCCCCCCCCC(=O)NC[C@H](O)c1ccccc1 95592345 AKNVGMDAOUHYPC-NRFANRHFSA-N 362.558 4.299 0 1 FIAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1cc(OC)c(F)cc1n2CC[18F] 102894528 QMMGEIMAWWFSFZ-NTLARXFDSA-N 363.439 4.047 0 1 FIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(SC)cc1 104060109 LCXHRMTWEVVOJL-SCDSTIRESA-N 358.467 4.282 0 1 FIAF Cc1noc(C)c1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12 138255365 GEISKBROGLLIKZ-UHFFFAOYSA-N 354.316 4.367 0 1 FIAF CC(C)C[C@@H]1C[N+]2=C(NC[C@H]2C2CCCCC2)N1CC1CCC(C)CC1 141603866 YUFCTXRFOLKQOF-FGGKUVOCSA-O 360.610 4.464 0 1 FIAF Fc1ccc(OCCCCn2c3c(c4cc(F)ccc42)CNCC3)cc1 169350509 VLDUPBUYKBWWCX-UHFFFAOYSA-N 356.416 4.424 0 1 FIAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@@H]13 169368698 BKKGVUYVPORNKS-SKBWYGQNSA-N 372.468 4.239 0 1 FIAF COC(=O)[C@]1(/C=C2/c3ccccc3[C@H](OC)[C@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 195369396 ASIWMRFKVKKMJP-HHIWOAQBSA-N 362.425 4.125 0 1 FIAF Cc1cc(C)nc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 224571983 OEUMSWJKIQZDES-UHFFFAOYSA-N 365.412 4.332 0 1 FIAF CC(C)=CCC/C(=C\CC/C(=C\CC/C(C)=C/CO)C(=O)O)C(=O)O 238733582 CWJILJZJOHIERW-NIBIOVBLSA-N 350.455 4.254 0 1 FIAF CO[P@](C)(=O)OC[C@@H]1[C@H](C=C(C)C)[C@]1(C)CO[P@@](C)(=O)OC 254111168 BSAAHOUPSFVCBI-KWQNLPBFSA-N 354.320 4.177 0 1 FIAF O[C@H]1CC[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)CC1 586897580 BLPOJSKHAKAWJN-OCAPTIKFSA-N 374.076 4.106 0 1 FIAF C[C@@H](O)c1ncc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)s1 587022376 QEFGYTRZKYONMI-GFCCVEGCSA-N 351.431 4.319 0 1 FIAF C[C@@H]1CCc2sc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)cc2C1 587034342 SUJFQGWXYLXSPU-CQSZACIVSA-N 366.534 4.168 0 1 FIAF N=c1[nH]ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587040803 QYOYESBNFIPDJU-UHFFFAOYSA-N 359.458 4.216 0 1 FIAF CS(=O)(=O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587055111 RWTVQOLYKCEAMU-VMPITWQZSA-N 367.257 4.444 0 1 FIAF COC(=O)c1ccnc2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc12 587145148 JNOVGQPHULNQEV-UHFFFAOYSA-N 365.339 4.357 0 1 FIAF Cc1ccc(NC2(c3nc4cc5c(cc4[nH]3)OCC(=O)N5)CCCC2)cc1 587237274 PUTCPCHYTDPOLN-UHFFFAOYSA-N 362.433 4.084 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)COC(C)(C)O4)[C@@H](C2)C3=O 587456769 XZLCJJVVWIXTHT-KSFYIVLOSA-N 366.413 4.003 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCN(c3ccccc3)CC1)CC2=O 587475419 ODADRSZGAKFCQS-UHFFFAOYSA-N 351.446 4.349 0 1 FIAF CCCCOC(=O)[C@@H]1CCC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 587486743 ZTDWMCKEZDUEGC-KKSFZXQISA-N 360.450 4.192 0 1 FIAF Cn1c(Cl)nc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503047 WGCPTUHYACSHBP-CYBMUJFWSA-N 351.233 4.312 0 1 FIAF O=C1C[C@@H](c2cccn2C[C@H]2CCCO2)Oc2c1ccc1c2CCCC1 587512931 PWYUCIHXKLVOMG-IERDGZPVSA-N 351.446 4.252 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(F)ccc32)N1 587731121 KJJZZGLKLROLKV-XTZNXHDOSA-N 364.233 4.451 0 1 FIAF COCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587801698 MZXJHJAINVXBNM-BBATYDOGSA-N 364.258 4.358 0 1 FIAF Cc1cnc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587802311 KZFFVJKYCUKUCD-BMLIUANNSA-N 374.257 4.397 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](C3CC3)C2)N1 587819214 UFJZBDBEDIGZSA-SBOFIZKASA-N 366.274 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(s2)CCC3)N1 587857498 KNPJWQUBYVTMSM-GLEZIHRCSA-N 367.287 4.157 0 1 FIAF Cc1ccc(-c2cnnc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1C 587875988 XEPTWXINTXQZNB-UHFFFAOYSA-N 359.364 4.253 0 1 FIAF Fc1ccc(Nc2nc(NCCN3CCCC3)c3ccccc3n2)cc1 1772607393 HLOSRIXQZNMURF-UHFFFAOYSA-N 351.429 4.020 0 1 FIAF COc1ccc(NC(=O)[C@H]2CCN(c3ncccc3C)[C@@H](C)C2)cc1Cl 1857602588 OFDMCTREFVQJJO-GJZGRUSLSA-N 373.884 4.296 0 1 FIAF CC(=O)N[C@](C)(c1ccccc1)c1nc(-c2cc(F)cc(F)c2)cs1 61896066 XLCPJZXNOFKNKO-LJQANCHMSA-N 358.413 4.488 0 3 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049876 IXVBSMCQCSRJDQ-MJGOQNOKSA-N 374.843 4.487 0 1 FIAF CN(Cc1ccccc1)c1cc(Sc2ccc(Cl)cc2)nc(N)n1 103161062 MXAJWLZKKJVQNL-UHFFFAOYSA-N 356.882 4.500 0 1 FIAF COc1ccc([C@@H]2COc3cc(OCCCC(C)(C)O)ccc3C2)cc1 103292468 SLVGQGBLIOTPEV-SFHVURJKSA-N 356.462 4.344 0 1 FIAF O=C(O)C[C@@H]1COc2cc(OCc3csc(-c4ccccc4)n3)ccc21 59570226 BNZSYMKLXOOXNY-CQSZACIVSA-N 367.426 4.340 0 1 FIAF O=c1[nH]c(CN2CCCCC2)nc2c1C1(CCCCC1)Cc1ccccc1-2 20102874 GNPJUCCHELBILV-UHFFFAOYSA-N 363.505 4.181 0 3 FIAF O=[S@@](CCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1 28338650 ZNUGMJXPFXMIRR-RUZDIDTESA-N 355.463 4.042 0 1 FIAF COc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc(CCC(C)C)c1O 2356440339 XZHAZHRCVXNUJR-SFHVURJKSA-N 356.418 4.402 0 1 FIAF CN(C)CC[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26733127 RCNOMZBGTHQPSF-DEOSSOPVSA-N 371.484 4.192 0 1 FIAF CCC[C@@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 29476507 ILZGABAAVFSXBX-WIQPIVSASA-N 353.506 4.066 0 1 FIAF COc1ccc(C[C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@H](C)[C@H]2C)cc1OC 2356549872 HZLWUWRGPZGQLG-XJWDEFRUSA-N 370.445 4.387 0 1 FIAF CCC(S)(CC)C(=O)C[C@H](Cc1ccc(Br)cc1)C(=O)O 219771045 HJWDHLGHCCMJEG-LBPRGKRZSA-N 373.312 4.140 0 1 FIAF Cc1cc(=O)oc2c1c(OCCCN(C)C)cc1oc3c(c12)CCCC3 84672437 KDRKRZSPMBVDSX-UHFFFAOYSA-N 355.434 4.057 0 1 FIAF CCN1CC[C@@]2(C)c3cc(OC(=O)N[C@H](C)c4ccccc4)ccc3C[C@@H]12 49046267 VONJUQXHNPNBDU-VZPUWSDOSA-N 364.489 4.444 0 1 FIAF CC[C@H](C)NC(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1F 82152340 LDJSSUUDLUYQCA-ZDUSSCGKSA-N 356.445 4.166 0 1 FIAF CC[C@@H](O)c1ccc(Cl)c(-c2nnc3c(C)nc4ccc(C)nc4n23)c1 145720174 TYUHWJNKYDXLGG-MRXNPFEDSA-N 367.840 4.053 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c(O)cccc12 587611368 SNWOYVVGUZOFIX-REWPJTCUSA-N 374.392 4.291 0 1 FIAF Cc1cc(-c2nc3cc(C(N)=O)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880387 YFWASOUQFMRTDO-UHFFFAOYSA-N 371.396 4.002 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(C)(C)CC(=O)O)N1 587830658 VYFZFCYDJXKOOT-BMLIUANNSA-N 372.278 4.229 0 1 FIAF Cc1ncc(-n2c(OC(C)(C)C)cc(C(C)C)c2O)nc1Br 587939130 ANMXRFXKLUXSMI-UHFFFAOYSA-N 368.275 4.345 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(O)CCCCC2)N1 587822536 PCEZYBLAQCIXCE-BDJLRTHQSA-N 356.279 4.033 0 1 FIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587163307 KIOFNCNXXAXTSW-OAHLLOKOSA-N 353.319 4.252 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3scnc32)N1 587859923 YYLKFMOVQDULMY-ABKXIKBNSA-N 367.287 4.159 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(OC)c(OC)c1O)CC2=O 587480174 NVNCOPJQYJXFGB-INIZCTEOSA-N 372.417 4.082 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)C(=O)C2)N1 587823278 OVMSWGPDTQGIIS-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF CCOc1cc2c(cc1[C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)CCC2 587445380 YKZFTOWPPQPGBA-VGSWGCGISA-N 350.414 4.071 0 1 FIAF CCCCC[C@H](O)/C=C/CCCC(=O)N(C)CCCCCCC(=O)O 169322020 MIQRILKTNZHQTM-MXHVWWQHSA-N 355.519 4.148 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21CCCC[C@@H]1N1CCSCC1 963094726 CXLNROQAUPMSAZ-JBACZVJFSA-N 360.542 4.033 0 1 FIAF Cc1cc(Cl)ccc1O[C@@H](C)[C@@]1(C)NCCc2c(C(=O)O)cccc21 963135049 WAGVGDZXUSUIIE-RNODOKPDSA-N 359.853 4.175 0 1 FIAF COc1ccc2[nH]c(C(=O)N3CCC(n4cnc5ccccc54)CC3)cc2c1 14976932 ZTWRYQYSGZSPLJ-UHFFFAOYSA-N 374.444 4.004 0 1 FIAF Cn1c(=O)n(CCOc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c21 169310418 HPGSOYFUFDRYCA-UHFFFAOYSA-N 371.651 4.379 0 1 FIAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(-c5cccc(F)c5)n4)c3c2)o1 204761366 WCLBXMSWYPPACJ-UHFFFAOYSA-N 372.363 4.063 0 1 FIAF OCCCCCN1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1 1857555518 MMINMXZNNZZXES-UHFFFAOYSA-N 365.477 4.232 0 1 FIAF Nc1ccccc1Cn1cncc1-c1cc2cc(Br)ccc2[nH]1 1857747463 YQRYZEWQRMCGNE-UHFFFAOYSA-N 367.250 4.424 0 1 FIAF CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)nc3sccn23)cc1 838698 IXJJAPZCYPSAJH-UHFFFAOYSA-N 372.446 4.272 0 1 FIAF OC1C[C@@H]2CC[C@H](C1)N2CCOC(c1ccc(F)cc1)c1ccc(F)cc1 4167560 LFAYUMBLJCKKFH-WCRBZPEASA-N 373.443 4.059 0 1 FIAF COc1ccc(CNc2ncnc3ccc(-c4cccnc4)cc23)c(OC)c1 4258351 LNAWZQPISHMMII-UHFFFAOYSA-N 372.428 4.321 0 1 FIAF O=C(NCc1cccnc1)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4885271 KYIQJLQPZMKBPM-UHFFFAOYSA-N 351.837 4.092 0 1 FIAF COc1cccc(-c2nn(C)c3sc(C(=O)N4CCC[C@@H](C)C4)cc23)c1 6771373 FYVMDMQVIYMXOL-CYBMUJFWSA-N 369.490 4.183 0 1 FIAF CCc1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccc(C)cc2)cc1 6900947 NIDMFHKPCIQUTE-UHFFFAOYSA-N 370.456 4.473 0 1 FIAF Clc1cc(Cl)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1 13582606 KIJWMPSSOUHQTQ-UHFFFAOYSA-N 357.204 4.237 0 1 FIAF Cc1ccccc1S(=O)(=O)Nc1sc(-c2ccccc2)cc1C(=O)O 13589566 KWYHVHVYBREZJX-UHFFFAOYSA-N 373.455 4.223 0 1 FIAF O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccsc2)c1 28377465 KKPAMHAGPCJOBO-NRFANRHFSA-N 362.498 4.419 0 1 FIAF O=c1cc(N2CCOCC2)oc2cc(-c3cccc4ccccc34)ccc12 28530000 CRJPEFPZUBQFQL-UHFFFAOYSA-N 357.409 4.450 0 1 FIAF CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O 40404539 MSJCAWWJIHDUAU-OSTNNTLRSA-N 361.310 4.436 0 1 FIAF CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1cccc(Cl)c1 49067253 WYXQXKWJNPAUPH-NRFANRHFSA-N 371.864 4.007 0 1 FIAF O=S1(=O)CCCN1c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 139413220 CLJWGCRZFCQTOP-UHFFFAOYSA-N 364.426 4.188 0 1 FIAF COc1c2c(c3ccoc3c1OC)O[C@@H](c1ccccc1)[C@H](OC)[C@H]2OC 238783376 CJDWWGLVOLCWPW-QSFXBCCZSA-N 370.401 4.286 0 1 FIAF C[C@]12Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C=C1CCC2=O 586991929 XZTMSKYCCXHMEQ-DEOSSOPVSA-N 367.404 4.461 0 1 FIAF COC(=O)c1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cn1 587065918 FDNREYLJBMJAPE-UHFFFAOYSA-N 366.808 4.164 0 1 FIAF Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1F 587125744 SWASLSRTDREMDI-ISVAXAHUSA-N 353.323 4.181 0 1 FIAF CCOc1cc(/C=C/c2nc3ccc(CO)cc3[nH]2)ccc1OC(F)F 587131025 TXJZQMLPUARWIS-VMPITWQZSA-N 360.360 4.226 0 1 FIAF COC(=O)c1cc2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc2cc1OC 587131916 WXRBYKBRAVLECX-UHFFFAOYSA-N 372.371 4.240 0 1 FIAF Cc1ccc(C)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12 587161165 KYUYMBDPONZKKB-UHFFFAOYSA-N 355.804 4.279 0 1 FIAF O=c1c(-c2nc3c(Cl)ccnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172122 WGNURROZEPXPFF-UHFFFAOYSA-N 372.762 4.206 0 1 FIAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(F)cc(Br)c3[nH]1)O2 587175238 WJSXBDYIXZXKFB-ZDUSSCGKSA-N 351.150 4.280 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587232997 FLYKUAFVHZKTPJ-WCBMZHEXSA-N 371.268 4.426 0 1 FIAF CC(=O)NC1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCC(C)CC1 587234573 PMVNCMWIKOHORO-UHFFFAOYSA-N 355.360 4.003 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2OC2CCC2)[C@@H]1c1ccc(F)cc1 587352497 JSEQNRLAGLLCKB-VWPQPMDRSA-N 368.404 4.361 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CCN3CC)CC2=O 587475546 PKPQQOBQOSFCBH-OAQYLSRUSA-N 351.446 4.434 0 1 FIAF C[C@@]1(c2nc3ccccc3[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587074 FKRSAVCHMADXSO-XMSQKQJNSA-N 372.380 4.146 0 1 FIAF CC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587612727 MSGWMILCQSZTJW-PXNSSMCTSA-N 366.394 4.359 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cnn(C)c23)N1 587762210 XMXVCYIXHPKTSK-DYZYQPBXSA-N 374.257 4.099 0 1 FIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587784733 IMJLVZXUHOGQHD-UWVGGRQHSA-N 364.298 4.063 0 1 FIAF COc1ccc2c(c1)CCC=C2Cc1nc2c(Br)ccnc2[nH]1 587934242 GERYEJPBLMIVQJ-UHFFFAOYSA-N 370.250 4.301 0 1 FIAF Cc1c(F)ccc2c1[C@@](COC(F)(F)F)(c1ccccc1F)NCC2 962144528 LHINRPFCGLLQOK-QGZVFWFLSA-N 357.322 4.199 0 1 FIAF CCC[C@H](C)[C@@]1(CC)NCC2(CCOCC2)c2cc(OC)c(OC)cc21 963196358 WUGMNQJVIUEQJX-KSFYIVLOSA-N 361.526 4.397 0 1 FIAF CC(=O)Nc1cccc(Nc2nc(-c3ccccc3)nc3ncccc23)c1 1772602472 HLNOEIZQSMYUEH-UHFFFAOYSA-N 355.401 4.394 0 1 FIAF Cc1cc(/C=C2\C(=O)Nc3ccc(C(=O)c4ccco4)cc32)cc(C)c1O 1857540733 ZKTVLVADPQRHDS-YVLHZVERSA-N 359.381 4.326 0 1 FIAF CCCOc1c(-c2ccc(OC)c(OC)c2)oc2cc(OC)ccc2c1=O 1857765895 AFKYNNNOFHPGDB-UHFFFAOYSA-N 370.401 4.275 0 1 FIAF COc1c(C)c2c(c(O)c1CC=C(C)CCC[C@H](C)C(C)=O)C(=O)OC2 2356718835 HRYHMFTVUSXJPA-ZDUSSCGKSA-N 360.450 4.264 0 1 FIAF CC(C)c1ccc(NC(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)cc1 20137369 ABGPNMHIPBAKTN-UHFFFAOYSA-N 373.456 4.406 0 1 FIAF O=C1Cc2c(OCCNc3ccc4ccccc4c3)ccc(Cl)c2N1 26168210 FDCFNYCBHMWNKL-UHFFFAOYSA-N 352.821 4.479 0 1 FIAF CCS(=O)(=O)N(Cc1cccnc1)c1ccc(Cc2ccccc2)cc1 26835429 UQFURWWVDJVTGD-UHFFFAOYSA-N 366.486 4.029 0 1 FIAF CC(C)(C)[C@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 36126648 SGSKDJMEPQTYQW-VQTJNVASSA-N 370.443 4.305 0 1 FIAF COc1ccc([C@@H]2CC(c3cc(OC)c4occc4c3OC)=NO2)cc1 36519491 UIRRBDRPIVSGES-KRWDZBQOSA-N 353.374 4.324 0 1 FIAF O=c1c(CSC(=S)N2CCCCC2)coc2cc(Cl)ccc12 42966734 ZAYQUUZGDRJRGA-UHFFFAOYSA-N 353.896 4.450 0 1 FIAF CCOC(=O)c1cc(-c2cccc(OCc3ccc(F)c(F)c3)c2)[nH]n1 45254622 ZADSAXBXZCOAFU-UHFFFAOYSA-N 358.344 4.111 0 1 FIAF C[C@@]1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NCc2ccccc2)=NO1 45319564 XWXVIHWBOYDKDN-VIZSFHNOSA-N 362.473 4.411 0 1 FIAF c1ccc(-c2nc3ncnc(NC[C@@H]4CCCO4)c3n2-c2ccccc2)cc1 84740324 MUEGQYXBUWHEQT-SFHVURJKSA-N 371.444 4.073 0 1 FIAF COc1cc(C)cc2c(-c3ccc4c(c3)[C@](C)(O)N[C@H](C)C4)ccc(O)c12 95486204 JEHKHSWADGIQQX-FATZIPQQSA-N 363.457 4.229 0 1 FIAF biogenic,in-vitro CCCCO[P@@](=O)(NCCC)[C@H](C)NC(=O)OCc1ccccc1 101589589 IOYMPWQDMZBKRA-OYLFLEFRSA-N 356.403 4.268 0 1 FIAF Cc1ccc(C2=NOC3=c4ccccc4=CSC3=C2c2ccccc2)cc1 103198025 GCPJOLCCEKQCEA-UHFFFAOYSA-N 367.473 4.434 0 1 FIAF CC(=O)C(=O)N(c1ccccc1Cc1ccccc1)c1ccccc1C(=O)O 103222607 PIARYCZBLKOBDS-UHFFFAOYSA-N 373.408 4.229 0 1 FIAF CN1CCC[C@](NC(=O)c2ccc(Cl)cc2Cl)(c2ccccc2)C1 140007514 OFBDCHBDDZEHBY-LJQANCHMSA-N 363.288 4.344 0 1 FIAF Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccccc2F)nc1 207714649 SLHMKIFZLKLVFR-UHFFFAOYSA-N 350.319 4.252 0 1 FIAF Cc1cc(-c2cccc(Cl)c2)nc(NC[C@H]2CC[C@H](C(=O)O)CC2)n1 299819319 BWJQBGYTLRKQDE-HDJSIYSDSA-N 359.857 4.408 0 1 FIAF Fc1cc(Br)ccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 314112752 KMEQCXHATUYAET-UHFFFAOYSA-N 363.186 4.293 0 1 FIAF CCCCNCc1ccc(-c2cc3[nH]cc4c(O)nnc(O)c(c2)c34)cc1 473083447 OBMAFOSIVNPHRQ-UHFFFAOYSA-N 362.433 4.079 0 1 FIAF CCOC(=O)Cc1ccc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c1 586911676 KTKIQXXVCIRZMV-UHFFFAOYSA-N 350.418 4.006 0 1 FIAF Cc1nn(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)c(C)c1Br 586978691 BRDGPAQWDPEHHS-UHFFFAOYSA-N 361.287 4.485 0 1 FIAF Cn1nccc1/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986339 AKXLKFWCRTZQPU-VOTSOKGWSA-N 353.381 4.056 0 1 FIAF O=C(O)c1cc(F)cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135139 TZHRHVBACQNXKF-OWOJBTEDSA-N 372.224 4.266 0 1 FIAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cccnc4[nH]3)c(F)c2)c1 587138561 MZJRMODMITZWTP-UHFFFAOYSA-N 351.312 4.268 0 1 FIAF CCCCCC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400498 QCFWQDIECPWPQU-KKSFZXQISA-N 361.482 4.451 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c3nccc(C)c13)CC2=O 587474086 AUXABMTWAFGVOG-GOSISDBHSA-N 350.418 4.246 0 1 FIAF O=C1C[C@](Cc2ccc(Cl)cc2)(C(=O)O)Oc2c1ccc1c2CCCC1 587503357 UEMFXZXZVAPZKX-OAQYLSRUSA-N 370.832 4.250 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H](O)c1ccccc12 587605559 BBDWENAELMSWRT-DHJUGAMNSA-N 374.392 4.077 0 1 FIAF CC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587614330 RWHQIPLQSXOQCV-FXAWDEMLSA-N 366.394 4.359 0 1 FIAF Cc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615307 WBCYJUMQZFULGV-CRAIPNDOSA-N 353.399 4.168 0 1 FIAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cc(F)ccc1F 587628776 AJVWBZQXKRKDIO-UHFFFAOYSA-N 367.710 4.256 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc(Cl)c2)N1 587703273 GPAQSNUHKQXNAX-FVMDXXJSSA-N 369.665 4.434 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ncccc23)N1 587801672 HSFGONMTNDUTQO-JDNHERCYSA-N 360.230 4.088 0 1 FIAF O=C(c1cc(-c2cccs2)on1)n1nc2cc1Oc1ccc(F)cc1-2 587875702 GZNAMFDNSZYMDF-UHFFFAOYSA-N 353.334 4.200 0 1 FIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(F)cc(C(F)(F)F)c4[nH]1)(C3)C2 587968919 INYPKMLUAAGCFQ-JIIRDLKHSA-N 352.331 4.368 0 1 FIAF COc1cccc(-c2cc(N[C@@H](C)c3cccc(O)c3)nc(C)n2)c1F 653672854 FAMSKNUOXWISFQ-LBPRGKRZSA-N 353.397 4.478 0 1 FIAF O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1O 1857568226 AVPCNTBPQZAKSL-UHFFFAOYSA-N 366.398 4.001 0 1 FIAF COc1ccc(-c2cc(F)ccc2NC(=O)OCC2CCNCC2)cc1 1911580267 AUHCHCMUODVFLL-UHFFFAOYSA-N 358.413 4.049 0 1 FIAF COCc1cccc(-c2csc([C@](C)(NC(C)=O)c3ccccc3)n2)c1 61907551 OQTRJGWQATXXIE-OAQYLSRUSA-N 366.486 4.356 0 3 FIAF CNC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1 585856 KLCHTKOUSMEYSS-UHFFFAOYSA-N 368.462 4.225 0 1 FIAF CC[C@H](O)CCCCCCCC[C@H](Cc1cc(O)cc(O)c1)OC(C)=O 14772405 NNSXNUFHPOAPLQ-GHTZIAJQSA-N 366.498 4.464 0 1 FIAF biogenic CC(=O)O[C@@H]1CCC(C)(C)[C@@]2(O)CCc3c(cc4occc4c3C)[C@@]12C 14883748 HXWQDWYRBCPQLK-HJNYFJLDSA-N 356.462 4.428 0 1 FIAF biogenic COc1cc(CN2CCC(Nc3nc4ccccc4s3)CC2)ccc1O 28827106 LILTUBMNBVWQFU-UHFFFAOYSA-N 369.490 4.087 0 1 FIAF Cc1cc(=O)oc2cc(OCCCN(C)C)c3c4c(oc3c12)CCCC4 38238207 XSOWNWDDKXPDIH-UHFFFAOYSA-N 355.434 4.057 0 1 FIAF O=C(CCCN1C[C@@H]2CC[C@H](C1)N2c1ccccc1)c1ccc(F)cc1 40915685 OWMYGKYXZFSRMD-OYRHEFFESA-N 352.453 4.142 0 1 FIAF CCCCCC(=O)c1cc2c3c([nH]c2cc1OC)[C@H](C)N(C(C)=O)CC3 85950868 DHHZYPMWKCANEU-ZDUSSCGKSA-N 356.466 4.405 0 1 FIAF biogenic COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100912705 RQTWPNKOATVIPT-GNPFNHGDSA-N 352.261 4.033 0 1 FIAF C[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3 223658597 LGRLZRTYYCIMPZ-CYBMUJFWSA-N 367.522 4.171 0 1 FIAF COc1c([C@@H](O)CC(C)C)ccc2c1Oc1c(O)cc(C)cc1COC2=O 238740507 WTPJMCRVDYJMNT-INIZCTEOSA-N 372.417 4.251 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc1-2 586883448 JTPGIPHHFMKKQT-GKINPVFPSA-N 356.779 4.445 0 1 FIAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc3ncccc3c2[nH]1 586983353 BEIWPDRJIAIUOY-AWEZNQCLSA-N 367.250 4.116 0 1 FIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cc3cn[nH]c3cc2[nH]1 587116006 JIHRHNRVPZFYRG-UHFFFAOYSA-N 354.295 4.068 0 1 FIAF O=C(/C=C\c1nc2cc(Cl)nc(Cl)c2[nH]1)Nc1ccc(F)cc1 587166483 DDEIBZROHLQLTA-WAYWQWQTSA-N 351.168 4.056 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(Cl)nc2[nH]1 587234232 XYSFFAUMMADFFT-GHMZBOCLSA-N 350.850 4.162 0 1 FIAF COC(C)(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352791 XQJBYQTWDOLFFX-NQIIRXRSSA-N 358.409 4.464 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1ccc(F)c(C)c1)O2 587381041 FRDYOWNKYJMKLJ-QFIPXVFZSA-N 362.404 4.329 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCc4ccc(C(F)(F)F)cc41)[C@@H](C2)C3=O 587419660 DLYDHGTWZSHIIG-HNAYVOBHSA-N 360.331 4.303 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(C)ccc1N)[C@@H](C2)C3=O 587433576 SIXUXLXRONNGOA-YADARESESA-N 371.436 4.277 0 1 FIAF CCOc1cc(OCC)cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587443659 XCRGLASPGIVSGC-XMSQKQJNSA-N 368.429 4.155 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ncccn1)CC2=O 587492773 XBNUDLYFPYIBRE-QHCPKHFHSA-N 374.440 4.352 0 1 FIAF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)n1 587510746 XXMGSWWFXBBVIR-OAHLLOKOSA-N 350.340 4.024 0 1 FIAF COc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599005 DDCYWIWULPNRKE-KNQAVFIVSA-N 362.381 4.278 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1ccc(O)cc12 587608284 KUJMLZFQSCWARZ-OFNKIYASSA-N 374.392 4.291 0 1 FIAF O=C(O)Cc1c(-c2cc(Br)ccc2O)[nH]c2cccc(F)c12 587632063 CPXXSOMTIMCUGV-UHFFFAOYSA-N 364.170 4.069 0 1 FIAF Cc1cc(N)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747903 SRTFOLHIZCQXCB-BBATYDOGSA-N 363.274 4.277 0 1 FIAF CCCn1nc(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587761382 AYWLNYPLMIOAKL-QGHHPUGFSA-N 366.278 4.127 0 1 FIAF COc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806589 KDTQOSJDTBCOHA-VOJFVSQTSA-N 364.258 4.395 0 1 FIAF CCCCCC[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587830173 TVLDMRWFMZZONH-DIFFPNOSSA-N 372.278 4.373 0 1 FIAF CC(=O)c1ccc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874069 UBJAGJLSBYNWOF-LBPRGKRZSA-N 366.348 4.105 0 1 FIAF COc1ccc(-c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)cc1 587936059 QPWFLWCZWJZMAD-UHFFFAOYSA-N 366.471 4.273 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CC(C)(C)Cc2[nH]cc(C)c21 963607379 JTDPUSOCHSIXGC-FPTDNZKUSA-N 354.494 4.091 0 1 FIAF COc1ccc2c(c1F)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)[C@H]2C 1772623004 NMQFVQXXSVFZTQ-GJZGRUSLSA-N 370.468 4.151 0 1 FIAF CC[C@H]1C(c2ccc(C(F)(F)F)cc2)=C(O)C(=O)N1Cc1ccncc1 1857652047 NYBHFXSQXDWEIP-HNNXBMFYSA-N 362.351 4.191 0 1 FIAF C=CC(=CC(=COC)OC)[C@@H](O)[C@@H](C)Oc1ccc(C=CC)cc1OC 2356474968 KZJSYJDWHQFBFZ-VFNWGFHPSA-N 360.450 4.103 0 1 FIAF CC1=C[C@H](CN(C)Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356709243 UXHLQCSYSLXQGJ-HBMCJLEFSA-N 368.525 4.302 0 1 FIAF NC(=O)N1c2ccccc2C[C@H](OC(=O)c2ccccc2)c2ccccc21 580314 SENYQANOFJWAII-FQEVSTJZSA-N 358.397 4.358 0 1 FIAF CCn1c(=O)c2cc(C(=O)N(C)Cc3ccco3)sc2c2ccccc21 4939259 ONAAUXYWQUBKGI-UHFFFAOYSA-N 366.442 4.101 0 1 FIAF CCCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)C1=O 5783583 SZYDQVLZIFYHKM-UGTOYMOASA-N 369.505 4.317 0 1 FIAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CNC(=O)CCP(=O)(O)O 13742374 VOWNMXBKFOZULD-BTMZFSHUSA-N 357.431 4.090 0 1 FIAF COc1ccc(/C=C(\CO)C/C=C/c2ccc(OC)c(OC)c2)cc1OC 15117499 PKMAEVZFZPIKTR-VAZLAWSESA-N 370.445 4.200 0 1 FIAF O=C1N(c2ccccc2)c2ccccc2[C@]1(CCCO)Cc1ccncc1 26733241 XYRSPZARJAGSQU-QHCPKHFHSA-N 358.441 4.013 0 1 FIAF c1ccc(C(CCNC2=NCc3ccccc3CN2)c2ccccc2)cc1 27179810 CKTRIARPBUMFAC-UHFFFAOYSA-N 355.485 4.458 0 1 FIAF CCCCN(CC)c1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12 40404547 QQGJRPUMVFOJSV-UHFFFAOYSA-N 367.497 4.352 0 1 FIAF COc1ccc2c(C)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1 45348760 RWMQANILMLFZIC-UHFFFAOYSA-N 356.374 4.007 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H]4OC(=O)C(C)=C4C=C3CC[C@@H]2C1(C)C 49785076 JLHBPOUWGMGEPC-CMXRIWHBSA-N 358.478 4.343 0 1 FIAF COc1ccc2c(c1)[nH]c1c(C(=O)c3c(O)[nH]c4ccccc34)nccc12 73295365 KXSXMTWFKGXALP-UHFFFAOYSA-N 357.369 4.143 0 1 FIAF biogenic CSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccncc1 103671535 PGAZLOHEEMRMOG-CYBMUJFWSA-N 367.478 4.026 0 1 FIAF O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccc(-c2ccccc2)cc1 113894395 HEXVNBQITIFOKU-HXUWFJFHSA-N 368.396 4.027 0 1 FIAF CN(Cc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cc1)C1CCCCC1 168538239 XBPDIAGNMZUSQT-UHFFFAOYSA-N 365.521 4.004 0 1 FIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCCO)c(F)c3)cc12 216014908 RSWXZRKCSRMYCX-UHFFFAOYSA-N 363.772 4.087 0 1 FIAF O=C1C[C@]2(N3CCCC3)C[C@@H](c3ccccc3)[C@H](N1)[C@@H](c1ccccc1)C2 299807214 JQAFGLIAXMGYMK-NDFUXWATSA-N 360.501 4.071 0 1 FIAF Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 473104063 OCFSDAJLTQKCRZ-OAHLLOKOSA-N 365.408 4.131 0 1 FIAF C[C@H](Sc1ncccn1)c1nc2cc(Br)c(F)c(F)c2[nH]1 586963168 XVTAROCPCMOJNR-LURJTMIESA-N 371.210 4.247 0 1 FIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 587026544 FPCKRSRYSIQTDI-UHFFFAOYSA-N 357.366 4.016 0 1 FIAF NC(=O)c1cccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083427 SZZIWRYRQYFPOF-UHFFFAOYSA-N 357.200 4.184 0 1 FIAF CCOC(=O)Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587109483 LKVWUUAPONXHDI-UHFFFAOYSA-N 366.314 4.493 0 1 FIAF COc1cc2nc(Cc3cccc(-c4ccc(F)cc4OC)c3)[nH]c2cn1 587158411 DSYKHRGBNJKGKA-UHFFFAOYSA-N 363.392 4.372 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)nc1Cl)[C@@H](C2)C3=O 587420922 IDLJVZOQSJNLHM-BONVTDFDSA-N 369.726 4.251 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c(-c3ccc[nH]3)cc1OC)CC2=O 587480109 CGJXRELZVWNZHH-IBGZPJMESA-N 366.417 4.383 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCC)CC2=O 587483227 VZKJSSHNLVHZJC-IBGZPJMESA-N 356.418 4.459 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(OCC)cc31)CC2=O 587491835 QBHDFXSXVQIHTP-JOCHJYFZSA-N 368.429 4.387 0 1 FIAF O=C1C[C@](c2ccccc2)(C2CCNCC2)Oc2c1ccc1c2CCCC1 587524628 KZCYUTIYSADFSF-DEOSSOPVSA-N 361.485 4.426 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(Cl)c1 587549273 ZEUUAMMZPUNBTL-XLIONFOSSA-N 368.772 4.454 0 1 FIAF C[C@@]1(c2coc(C3CC3)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584514 AQKPMQMRVGMEPA-UWJYYQICSA-N 363.369 4.135 0 1 FIAF CC(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 587587288 NKBPSTJUZUGFNH-XLIONFOSSA-N 351.358 4.207 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCNc1ccccc12 587595851 PBVAVRXYNGRQNT-DENIHFKCSA-N 359.381 4.065 0 1 FIAF CCc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587608558 LOFSQPZXBRMBPT-DENIHFKCSA-N 362.381 4.363 0 1 FIAF CC(=O)c1c(-c2cc(Br)ccc2O)[nH]c2c(C(=O)O)cccc12 587636891 OHAOZSVYSSDNIN-UHFFFAOYSA-N 374.190 4.204 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Cl)cc2F)N1 587731367 ZCQIHQDVDPXOKL-ZIDLFYJRSA-N 373.628 4.399 0 1 FIAF CCOc1ccc(OCC)c(-c2nc3ccc(Br)nc3[nH]2)c1 587777815 DZYIRXPMTLIIPS-UHFFFAOYSA-N 362.227 4.185 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3[nH]ncc3c2)N1 587799105 WGOKBSXYOAADAZ-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccccc32)N1 587836357 SZAKPHXDRCVRQX-ADLMAVQZSA-N 362.242 4.149 0 1 FIAF CCc1csc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587856671 YPSHKDXXCFGQEM-XLKFXECMSA-N 355.276 4.231 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)NC1CCCC1 587862766 IEHZHOIHUDEOQF-UHFFFAOYSA-N 353.344 4.078 0 1 FIAF CN(Cc1ccc(Cl)cc1)c1cc(C(=O)Nc2ccccc2)ncn1 1772609045 IUARCUDRPARYTP-UHFFFAOYSA-N 352.825 4.019 0 1 FIAF CC/C=C/C(=O)Nc1cc2c(N3CCc4ccccc43)ncnc2cc1OC 1857634219 QIHUWGQYPLGFPI-RUDMXATFSA-N 374.444 4.237 0 1 FIAF COc1cc2c(N3CCCCC3)nc(N(C)C)nc2cc1OC1CCCC1 1857653519 KMQMRXRYXCUHLZ-UHFFFAOYSA-N 370.497 4.016 0 1 FIAF Cc1ccc2nc(C)c(C(=O)NCCNc3ccc(C(C)(C)C)cc3)n2c1 1857752618 HVJSIGWIZCKAJC-UHFFFAOYSA-N 364.493 4.091 0 1 FIAF Fc1cccc(-c2cnc([C@H]3COCCN3Cc3ccc(Cl)cc3)[nH]2)c1 2356302048 KPVXGTPODFCGFP-LJQANCHMSA-N 371.843 4.443 0 1 FIAF CCCCC[C@@H](O)C=CC=CCC=CCC=CCCCC(=O)NCCO 2356603100 XZQKRCUYLKDPEK-OAQYLSRUSA-N 363.542 4.211 0 1 FIAF CCNC(=O)[C@]1(C)CCCN(Cc2ccc(Oc3ccccc3)cc2)C1 61907576 GCZYPTUAIXKAKP-JOCHJYFZSA-N 352.478 4.217 0 3 FIAF CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1oc2ccccc2c1C 61928932 YQZPLNSFMKFNPA-OAQYLSRUSA-N 356.466 4.042 0 3 FIAF CCN(C(=O)c1c(-c2ccc(F)cc2)noc1[C@@H](C)O)C1CCCCC1 2356303385 SZHXGGMUARQYDR-CYBMUJFWSA-N 360.429 4.329 0 1 FIAF CCOc1ccccc1N(C)C(=O)CCc1nc(-c2ccc(C)cc2)no1 4920965 NFNMVDXGPSEGPU-UHFFFAOYSA-N 365.433 4.039 0 1 FIAF Cn1c(=O)[nH]c([C@H]2CC[C@@H](c3ccccc3)CC2)c(Cc2ccccc2)c1=O 101598364 RZWVLFBRJYIAKV-MXVIHJGJSA-N 374.484 4.106 0 1 FIAF O=c1c2ccccc2nc(-c2ccccc2)n1-c1nc2c(O)cccc2s1 103218535 APSQGQXZLJNNJY-UHFFFAOYSA-N 371.421 4.368 0 1 FIAF CC(C)C(=O)N[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917914 YJOHLCCYNVHKKI-HKZQYKGFSA-N 359.554 4.451 0 1 FIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2c1cccc2C(F)(F)F 28964781 OXMKYONMECXXGJ-OAHLLOKOSA-N 360.339 4.391 0 1 FIAF Cc1ccccc1-c1cn(CCCCCn2cccc(O)c2=S)nn1 103255706 ZZQIKZUTAYUCEC-UHFFFAOYSA-N 354.479 4.361 0 1 FIAF Clc1cc(Cl)cc(COC[C@@H](c2ccccc2)N2CCNCC2)c1 22926752 PYMMFZHBPNJQOD-IBGZPJMESA-N 365.304 4.157 0 1 FIAF COC(C)(C)[C@H](O)CC[C@H](C)[C@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21 2356837229 LIILIPZHPPPYFU-YRWGSWDYSA-N 364.482 4.274 0 1 FIAF OCc1cc(-c2ccc(Cl)cc2)nn1C[C@@H](O)c1ccc(Cl)cc1 66252039 PAXJAGQRVCVAMH-GOSISDBHSA-N 363.244 4.083 0 1 FIAF Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(F)c3)=N2)cc1 34030026 JBWHBWOYCJNXRA-UHFFFAOYSA-N 352.359 4.398 0 1 FIAF COc1ccc(C(=O)NC[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 43016866 FXDOSFXZPGXSNT-QGZVFWFLSA-N 373.452 4.460 0 1 FIAF CC[C@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1 82140915 IGOLOPIVXNWEIY-HNNXBMFYSA-N 370.472 4.047 0 1 FIAF Cc1nc(C(=O)NCc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1 43131863 RITJZSQTXIWOPC-UHFFFAOYSA-N 373.378 4.438 0 1 FIAF COC(=O)C1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O 137753270 PCYSFZDXGZBRMA-KUNMCDETSA-N 358.434 4.200 0 1 FIAF COc1ccc(/C=C\c2cc(Br)c(OC)c(OC)c2)cc1O 40860822 LDMARZLQOPWXCV-PLNGDYQASA-N 365.223 4.351 0 1 FIAF O=C(O)Cc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1 89469973 NJBQKKJYWPPLNC-UHFFFAOYSA-N 354.797 4.244 0 1 FIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2ccn[nH]2)c1 224350486 PBMXJBNUKOKAQZ-UHFFFAOYSA-N 365.286 4.367 0 1 FIAF C[C@H](O)c1ccc(-c2ccc3[nH]c4c(c3c2)-c2nc(N)ncc2CCC4)cc1 95586396 OAKIUVMSKQRXES-ZDUSSCGKSA-N 370.456 4.416 0 1 FIAF O=c1cc(C(F)(F)F)n(C/C=C/CN2CCCCC2)c2ccc(F)cc12 96909950 UAPXSGOOQINMCN-SNAWJCMRSA-N 368.374 4.202 0 1 FIAF O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1 253684401 LDQTVSTXBDCFCN-IBHRTIHJSA-N 374.484 4.329 0 1 FIAF CCOC(=O)[C@@H]1[C@H](c2ccc(-c3cccn3CC)cc2)C[C@H]2CC[C@H]1N2C 253693408 ZEBKVNWXQZNPAB-NPDDRXJXSA-N 366.505 4.304 0 1 FIAF Cc1c(-c2ccc3n[nH]cc3c2)ccc2c3ocnc3c(=O)n(C3CC3)c12 2382227806 NEKWFDJGOJYYGJ-UHFFFAOYSA-N 356.385 4.329 0 1 FIAF CCOc1ccc(-c2[nH]c(=Nc3ccc(Cl)cn3)sc2Cl)nc1 473135507 IWKHRPZHYYMCMT-UHFFFAOYSA-N 367.261 4.471 0 1 FIAF Cc1c(F)cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1F 587132913 LLOSYYPIDVRVAE-UHFFFAOYSA-N 367.149 4.277 0 1 FIAF COC[C@]1(C2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792633 LSRGVQGALYMHEK-APPDUMDISA-N 356.279 4.154 0 1 FIAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)Cl)c(Cc3ccccc3)c2c1 587650128 YAHZYSSCOMGIFQ-UHFFFAOYSA-N 369.820 4.450 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(Br)c1F)O2 587385843 QRNYEPQAXTXKJA-KRWDZBQOSA-N 364.214 4.359 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nccnc23)N1 587776503 DIMLXXFBKQRARX-YPMLDQLKSA-N 372.241 4.155 0 1 FIAF CSc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586996179 ARTNVXGDFGWLGY-CYBMUJFWSA-N 362.296 4.290 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(CN(C)C)CCCC2)N1 587739433 GWLJHZOGSMPUQC-SJCJKPOMSA-N 369.322 4.286 0 1 FIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587163306 KIOFNCNXXAXTSW-HNNXBMFYSA-N 353.319 4.252 0 1 FIAF Nc1cccc(O)c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587250783 RPLDVSSPSQVGRR-UHFFFAOYSA-N 372.144 4.299 0 1 FIAF Cc1c(Br)cc2[nH]c(-c3ccc(NC(N)=O)cc3)nc2c1C 587243632 HARKWLLUENGYAK-UHFFFAOYSA-N 359.227 4.100 0 1 FIAF CS(=O)(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(F)ccc12 587634100 SDLUCFPVIQHAQA-UHFFFAOYSA-N 357.328 4.396 0 1 FIAF Cc1cc(C)n(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587763332 JIXQBZSGXFGVDH-BMLIUANNSA-N 366.278 4.067 0 1 FIAF O=C1C[C@H](c2c(Cl)cnc3c2OCCO3)Oc2c1ccc1c2CCCC1 587496281 BAWJOJIJIPQVHW-MRXNPFEDSA-N 371.820 4.092 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Cl)cn1 587655401 FWLLSCSXLWYHCW-UHFFFAOYSA-N 369.758 4.379 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C(F)F)N1 587719339 QFLLBJAKMSVBLT-CLAHSXSESA-N 359.189 4.408 0 1 FIAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(C(=O)O)CC2=O 587462841 QWQCDZMDEXAWLF-FQEVSTJZSA-N 374.820 4.029 0 1 FIAF CC(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587816421 XXPFJEBFBMTSNU-XTZNXHDOSA-N 362.242 4.414 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cccc(C)c1 587870581 MLMDJPJRQXPALB-UHFFFAOYSA-N 354.381 4.116 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(C)(C)C(=O)O)N1 587826827 JLOXAGUZDATVAJ-BMLIUANNSA-N 372.278 4.229 0 1 FIAF C[C@@H]1CN(Cc2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518081 ZYNUPVPQIKEIFD-OSPHWJPCSA-N 361.485 4.421 0 1 FIAF Cc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586881645 XDWBFSMIZSQBKV-UHFFFAOYSA-N 371.396 4.002 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(O)c2F)N1 587716748 DTGCAQVWJQGSNT-KWKYVRJSSA-N 372.184 4.196 0 1 FIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(c4ccc(F)cc4C[C@@H]4CCCN41)[C@H](C3)C2 963088294 DNMODDBXVHZYNG-JCMUSXABSA-N 369.480 4.041 0 1 FIAF COc1c(F)cc(F)c([C@@H]2c3c(F)cccc3C[C@H]3CCCN23)c1F 963117464 WSYLPNXDLUVVBJ-ZMZPIMSZSA-N 351.343 4.362 0 1 FIAF Cc1nc(Cl)n(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1 13525143 NAUBUHLGUBYXRS-UHFFFAOYSA-N 364.829 4.044 0 1 FIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](COC(=O)C3CC3)CN(C)[C@@H]1C2 13793956 WAFXAEGTAKCBCH-QFIXIFRTSA-N 366.505 4.135 0 1 FIAF O=C(CCCC[C@H](O)Cc1ccccc1)c1ncc(-c2ccccn2)o1 14980116 WZLKAAQFNVCYKK-KRWDZBQOSA-N 350.418 4.083 0 1 FIAF CC(C)c1ccc(C(=O)C[C@H](C(=O)NC2CCCCC2)n2ccnc2)cc1 169333782 YDXAQNHUFBFXQQ-HXUWFJFHSA-N 367.493 4.270 0 1 FIAF O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)C1CCCC1 164779604 YXDMILIUPVSAIQ-UHFFFAOYSA-N 372.432 4.144 0 1 FIAF COc1ccc(OC)c(CC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c1 1857579524 UEVCIOKXOLQMMW-UHFFFAOYSA-N 368.429 4.322 0 1 FIAF COc1nc2sc(C)cn2c1/C=C1/C(=O)Nc2c1ccc1ccccc21 1857583076 ZZWBPDMKIRAWQA-OQLLNIDSSA-N 361.426 4.359 0 1 FIAF CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 9433681 PGJZKIXYTBMZNT-RBUKOAKNSA-N 368.502 4.108 0 1 FIAF CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(CCO)n1 26171731 TYJWICLQOOJZIZ-UHFFFAOYSA-N 371.268 4.124 0 1 FIAF COc1c(-c2nc(C)c(-c3cccnc3)[nH]2)cc2nc(C)[nH]c2c1Cl 27523164 CLAVLZBWIQBFSV-UHFFFAOYSA-N 353.813 4.294 0 1 FIAF NCCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28467835 LRRARKXBWLYEDH-UHFFFAOYSA-N 364.468 4.021 0 1 FIAF O=C(Nc1nccs1)c1c(C(F)(F)F)nc2cc(Cl)ccc2c1O 29236530 ATNKIIRMFNXBFM-UHFFFAOYSA-N 373.743 4.321 0 1 FIAF O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccccc1F 95576758 BEWDETUHGMEKLL-UHFFFAOYSA-N 370.255 4.434 0 1 FIAF COc1c2ccoc2c(-c2ccc(/C=C/C(=O)O)cc2)c2oc(=O)ccc12 95595812 VAEANOQUTQTZKR-XBXARRHUSA-N 362.337 4.313 0 1 FIAF COc1cccc(-c2nn(Cc3nnc(C(C)(C)C)o3)c3ccccc23)c1 95755510 LPZAWPSKQONUHD-UHFFFAOYSA-N 362.433 4.441 0 1 FIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccsc2)C2=C(O)CCCC2=N1 100639913 JLKRBWJEVMIQHP-KBXCAEBGSA-N 373.474 4.279 0 1 FIAF CCc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC)cc1 100704180 HSTYCDOQYNXZPC-HXUWFJFHSA-N 369.461 4.247 0 1 FIAF COc1ccc(-c2cccc(-c3ccc(OC)cc3OC)n2)c(OC)c1 169312262 PIMGIQWLAACBFJ-UHFFFAOYSA-N 351.402 4.450 0 1 FIAF Cc1cccc(N2CCN(Cc3coc(-c4ccc(O)cc4)n3)C[C@H]2C)c1 195320267 FGRZEGSXAJTYQX-QGZVFWFLSA-N 363.461 4.066 0 1 FIAF Nc1cnc(-c2ccc(-c3cccnc3OC3CCCC3)cc2F)cn1 224742121 UKKOTTZPCOMVDQ-UHFFFAOYSA-N 350.397 4.248 0 1 FIAF C[C@@H](O)c1ncc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)s1 587022372 QEFAZMVIKUYTEO-GFCCVEGCSA-N 351.431 4.319 0 1 FIAF Fc1ccccc1CCc1nc2cccc(I)c2[nH]1 587148673 DCCHUTCBULYFQH-UHFFFAOYSA-N 366.177 4.092 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 587232716 ARUPBGQDVWQMLB-WPRPVWTQSA-N 371.268 4.426 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CC=C(Br)CC1)O2 587371939 IIZRKBDGNUVCJG-APPDUMDISA-N 350.256 4.380 0 1 FIAF CCOC(=O)[C@H](CC)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399923 MZXIXNJXMJGQPA-HTAPYJJXSA-N 367.445 4.027 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(OC)cccc1OC)CC2=O 587478981 LGNDXFSQHAVSKJ-NRFANRHFSA-N 356.418 4.243 0 1 FIAF CC(C)[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587638 NQPFFZQSFZKIBU-SIKLNZKXSA-N 361.397 4.300 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2Cl)N1 587706964 TYCLCRZCGCEJEO-ABKXIKBNSA-N 369.665 4.434 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ocnc3c2)N1 587777873 DOUAQNOFZJVDIS-VVVCHXIZSA-N 361.214 4.353 0 1 FIAF Cc1cccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n[nH]c12 587792267 HQEVFVHCHWSBHT-BMLIUANNSA-N 374.257 4.397 0 1 FIAF CC(C)[C@@H]1C[C@@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587833467 NHTLEMZBBWNOJF-HYSWKAIVSA-N 356.279 4.153 0 1 FIAF COc1cc(C2(c3nc4ccc(Br)c(O)c4[nH]3)CC2)ccc1C 587925060 JNMPQYIPJJJFBX-UHFFFAOYSA-N 373.250 4.428 0 1 FIAF COC(=O)c1ccccc1-c1ccc([C@@H]2NCCc3ccc(O)cc32)cc1 963352637 MUMWDQGXYXKAQH-QFIPXVFZSA-N 359.425 4.081 0 1 FIAF O=C(c1ccc(F)cc1)N1CCC[C@H](c2cc3nc(Cl)ccc3[nH]2)C1 1857575571 ZXIFSIFTYUWNHM-ZDUSSCGKSA-N 357.816 4.375 0 1 FIAF Cc1cc2ncccc2cc1[C@@H](C)n1cnc2ncc(-c3ccncc3)nc21 1857617990 BTEUNJHHSXFPQB-OAHLLOKOSA-N 366.428 4.354 0 1 FIAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H](C)[C@@H]1OC(C)=O 2356480794 QGJOZBRXAVBQQO-RPOJGZRZSA-N 374.477 4.159 0 1 FIAF C[C@]12CC[C@@H]3c4c(Br)cc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2O 2356610631 RFIKGEXHGJJIHW-FEZYCPBGSA-N 351.284 4.372 0 1 FIAF C[C@](O)(c1cccnc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61926120 VQJQVEBYRZAWKC-INIZCTEOSA-N 350.365 4.480 0 3 FIAF CCN(CC)Cc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 1860405 RHPIPYDMGPJCPC-UHFFFAOYSA-N 367.518 4.168 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 5166202 PTGGVIKFNQSFBY-WPOGFBIBSA-N 358.478 4.210 0 1 FIAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cc3ccccc3o2)cc1 13525266 GPXRCKZFHKYHJT-UHFFFAOYSA-N 372.833 4.342 0 1 FIAF Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nccnc12 28822244 GGLNNJXYNFYSSQ-UHFFFAOYSA-N 366.787 4.326 0 1 FIAF CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](O)CO 29045450 XQBHBEXBUZDCRY-ZJVPVJIZSA-N 352.515 4.472 0 1 FIAF CN1[C@@H]2CC[C@@H](OC(=O)C(Cl)(c3ccccc3)c3ccccc3)[C@H]1CC2 29478722 QYFGNSZBWRHVCX-XUVXKRRUSA-N 369.892 4.337 0 1 FIAF COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O 43016485 FSUVRTLZOIFIJT-HNNXBMFYSA-N 361.873 4.163 0 1 FIAF Fc1ccc(-n2c(=S)sc3c2ncn2nc(-c4ccco4)nc32)cc1 49072968 VQKFHYCWGRTRIE-UHFFFAOYSA-N 369.406 4.258 0 1 FIAF CCOc1ccc(-n2nc3c(N4CCCCCC4)nnc(C)c3c2C)cc1 72109026 XEPFWAFMPMLXAM-UHFFFAOYSA-N 365.481 4.211 0 1 FIAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(SC)cc1 104060248 PBLUERFOJWNDKA-UYTDBDHRSA-N 373.482 4.067 0 1 FIAF O=C(Nc1ccccc1)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3C2)cc1 169721965 LEELBCVWRZWEHN-GJZGRUSLSA-N 358.397 4.282 0 1 FIAF CCCN1CCc2cc(OC)cc3c2[C@@H]1Cc1cccc(OC(C)=O)c1-3 213173946 ICIICPHBNXIOKJ-IBGZPJMESA-N 351.446 4.153 0 1 FIAF in-vitro COc1ccc(CN[C@@H]2CCCn3nc(COc4ccccc4)cc32)cc1 299840479 XHMRZQHOLDKOFK-OAQYLSRUSA-N 363.461 4.095 0 1 FIAF C[C@@]12Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C=C1CCC2=O 586991938 XZTMSKYCCXHMEQ-XMMPIXPASA-N 367.404 4.461 0 1 FIAF Cc1onc(-c2nc3cc(CO)ccc3[nH]2)c1COc1ccc(Cl)cc1 587075468 JAYRLNFLXJWKRC-UHFFFAOYSA-N 369.808 4.251 0 1 FIAF Cc1cnc(Cl)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 587127030 KWFCBASMDIQNQV-UHFFFAOYSA-N 367.718 4.362 0 1 FIAF CCOc1cc(/C=C\c2nc3nc(Cl)c[nH]c-3n2)ccc1OC(F)F 587131364 ZBICNJWXUXQYJU-XQRVVYSFSA-N 366.755 4.128 0 1 FIAF Cc1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1Br 587176596 XGCXXGOTFJSSRV-UHFFFAOYSA-N 354.610 4.412 0 1 FIAF C[C@@H]1CCCC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355085 SFBDGJMWBKRESO-SIJSFFJVSA-N 354.377 4.018 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccccc1Br)O2 587375546 DKCOWZUHJQZBJC-GOSISDBHSA-N 360.251 4.306 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)ccnc1Cl)[C@@H](C2)C3=O 587422280 SPAHIGWLVCVTNP-VFZGTOFNSA-N 369.726 4.251 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ncccn1)CC2=O 587492771 XBNUDLYFPYIBRE-HSZRJFAPSA-N 374.440 4.352 0 1 FIAF O=C1C[C@@H]([C@H]2CCN(Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587512822 FWAWGUACDGZKQG-CVDCTZTESA-N 361.485 4.421 0 1 FIAF CC[C@H](C)n1nccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580860 JNZDJAIUWLVFTA-FPSMJMQUSA-N 364.401 4.263 0 1 FIAF Cc1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587773899 RZBDBLUJUKJIQB-XIKOKIGWSA-N 363.274 4.284 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCCCO 587858961 QUUJXGLEEYJHLA-UHFFFAOYSA-N 371.264 4.449 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(SC)n1 587864339 XVVDQMJUUPOPNJ-UHFFFAOYSA-N 366.368 4.079 0 1 FIAF COc1ccc([C@@H](c2ccccc2)c2nc3cccc(C(=O)O)c3[nH]2)cc1 587934174 BUIVTXCVWZJYRJ-LJQANCHMSA-N 358.397 4.450 0 1 FIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587938349 VFRSTAZJLXSGHC-QLJPJBMISA-N 366.339 4.307 0 1 FIAF COc1ccc(CN2C(=O)C(=O)c3cccc(-c4ccc(OC)cc4)c32)cc1 1857655227 KJMXSEPFRYQXMC-UHFFFAOYSA-N 373.408 4.100 0 1 FIAF COc1cc(O)c(-c2coc3cc(O)cc(O)c3c2=O)cc1CC=C(C)C 2356782457 FFGIPXWXGSGFJA-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF COc1ccccc1-c1csc([C@H](NC(C)=O)c2cccc(F)c2)n1 61908228 FXOLTCPCAUXHLM-GOSISDBHSA-N 356.422 4.183 0 3 FIAF CCC[C@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@@H](C)O3 29133801 PGLJHEPEFVKHBP-YPMHNXCESA-N 354.402 4.283 0 1 FIAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(Cl)nc2ccc(OC)cc12 32176984 XJIBDOHIONJNPE-ZLSUJJLUSA-N 360.885 4.051 0 1 FIAF CO[C@@H](c1ccccc1)c1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 38330752 FGNKOPGSGPMEJL-FQEVSTJZSA-N 357.413 4.065 0 1 FIAF Cc1cc(C)c(-c2nnc(NC(=O)c3ccc4c(c3)CCO4)s2)c(C)c1 43069861 LOUALGVBZHIPTI-UHFFFAOYSA-N 365.458 4.318 0 1 FIAF COc1ccc(-c2c(Cl)cccc2C(F)(F)F)cc1OC1CNC1 96175877 YORIPPMTKDXBCP-UHFFFAOYSA-N 357.759 4.385 0 1 FIAF COc1cc(C(=O)c2sc3ccc(N)cc3c2C)cc(OC)c1OC 103233957 FSOVQIYNJUPVFU-UHFFFAOYSA-N 357.431 4.049 0 1 FIAF COc1cc2c(c(OC)c1OC)[C@H](c1cc(Cl)ccc1F)OC(=O)N2 143820042 CZTSRFAXSZENOT-AWEZNQCLSA-N 367.760 4.156 0 1 FIAF CC1(C)CC(=O)[C@H]2C(=Nc3nc4c(c(N)c3[C@@H]2c2ccncc2)CCCC4)C1 169720990 NEJAUGQGKHCLHV-RTBURBONSA-N 374.488 4.161 0 1 FIAF CNc1nc(Nc2ccc(C(F)(F)F)cc2OC)ncc1C(F)(F)F 205928676 UXPFYXIRCFAXSK-UHFFFAOYSA-N 366.265 4.308 0 1 FIAF O=c1ccc2cc(-c3nc4cc(F)c(Br)cc4[nH]3)ccc2o1 586918260 MLIFHRXOSJIKNT-UHFFFAOYSA-N 359.154 4.238 0 1 FIAF CC(C)(C)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2n1 587085514 XHZBHELSTRLXDX-UHFFFAOYSA-N 370.888 4.083 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(F)c(F)c2[nH]1 587201499 OWELRMHRLSAFDX-UHFFFAOYSA-N 353.413 4.422 0 1 FIAF C[C@@]1(CCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350401 HSJMACFEHFJBCA-FPOVZHCZSA-N 372.392 4.294 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@@]1(c3cccc(F)c3)CCOC1)CC2=O 587465095 AILPVVGYWHBLKO-IRLDBZIGSA-N 370.420 4.176 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(F)cc(F)cc31)CC2=O 587471719 MRATWZFBMFIJEF-FQEVSTJZSA-N 360.356 4.266 0 1 FIAF O=C1C[C@](Cc2cnccn2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587516010 SXLZVBUULBMHPT-XMMPIXPASA-N 370.452 4.459 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccccc1F 587569921 SYXWVEHOLAASDT-OALUTQOASA-N 350.345 4.104 0 1 FIAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)n1 587589624 WDJRTJHSCXPUSP-UGKGYDQZSA-N 361.397 4.281 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)n[nH]2)N1 587799793 YQLDXIDQBSAFGM-XXFAHNHDSA-N 366.278 4.232 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C=O)c2)N1 587813779 DVTWNLARWPVVQG-ADLMAVQZSA-N 362.242 4.198 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccco2)N1 587828433 NIXCTFCGEQRVPE-DYZYQPBXSA-N 366.230 4.204 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)COC3)N1 587834205 JXDOUAZCJMGPDJ-XTZNXHDOSA-N 362.242 4.242 0 1 FIAF COc1cc(C)ccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587925061 JPVKIPIAFRPBAU-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF CCCC(=O)[C@@H]1C(=O)CC[C@H](c2cccc(Oc3ccccc3)c2)C1=O 957811105 UKDMTZGUPNXVMS-WIYYLYMNSA-N 350.414 4.480 0 1 FIAF Cc1cc(C)nc(-n2cccc2[C@@H]2NCCc3c(Cl)cc(Cl)cc32)n1 963105394 IXDZXIALZKNUDI-GOSISDBHSA-N 373.287 4.426 0 1 FIAF Cc1occc1C(=O)N=c1[nH]n(Cc2ccc(Cl)cc2)c2ccccc12 1857535545 ILKLARYZGQEUSK-UHFFFAOYSA-N 365.820 4.314 0 1 FIAF CN(C)Cc1cccc(-c2cc3c(-c4ccc(C(N)=O)cc4)ccnc3[nH]2)c1 1857753045 QFHPSDWMERSJDZ-UHFFFAOYSA-N 370.456 4.057 0 1 FIAF F[C@H]1CN(Cc2c[nH]c3ccccc23)C[C@@H]1OCc1nc2ccccc2o1 2356302453 VUWJMARBVQJSLW-JXFKEZNVSA-N 365.408 4.048 0 1 FIAF COC(C=CC(=O)O)=CC(C)=C[C@@H]1CCC[C@H]2Oc3ccc(O)cc3[C@H]12 2356340924 BIFOIGIRZDSYFB-ZKYUUJBMSA-N 356.418 4.154 0 1 FIAF CC(=CCCC1=CCOC1=O)CC=C[C@]1(C)CC[C@H]([C@@]2(C)CCC(=O)O2)O1 2356651636 UWXJDRWZPZOIOX-STZQEDGTSA-N 374.477 4.176 0 1 FIAF Cc1ccc(CSc2nnc(-c3ccncc3)n2C[C@H]2CCCO2)cc1 4130587 VRZXJGJTTAAZRH-GOSISDBHSA-N 366.490 4.120 0 3 FIAF FC(F)(F)c1cccc(C2=Nn3c(nnc3-c3ccccc3)SC2)c1 3911150 WZGVETPLTHZLLU-UHFFFAOYSA-N 360.364 4.322 0 1 FIAF CNC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl 27411912 MQTOXEPPSPJOBV-UHFFFAOYSA-N 362.220 4.058 0 1 FIAF O=C1Nc2c(Cl)cccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 28884164 XVIIPQCOOMCLNT-UHFFFAOYSA-N 351.789 4.038 0 1 FIAF O=C(Nc1ccc(C(=O)O)cc1)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1 103236466 GVMGPQHXRIFVME-MAEOIBBWSA-N 372.396 4.036 0 1 FIAF Cc1cc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)ccn1 28570861 QGJKIWOORSAWIP-UHFFFAOYSA-N 367.405 4.161 0 1 FIAF COP(=O)(OC)O[C@@H](c1cc(C)ccc1C)P(=O)(OC)OC 29228050 XBOXDYUQUAKDPZ-CYBMUJFWSA-N 352.260 4.205 0 1 FIAF O=C(O)CCCCCC[C@H]1C(=O)CC[C@@H]1/C=C/[C@H](O)COc1ccccc1 60027301 NZGFSDWJUZOAAX-LBMWOWTPSA-N 374.477 4.003 0 1 FIAF C[C@@H]1[C@H](Cc2ccc3c(c2)OCO3)O[C@H](c2ccc3c(c2)OCO3)[C@@H]1C 2356721022 QPBYXPLUADJZPQ-JSNIETQYSA-N 354.402 4.099 0 1 FIAF C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 39310115 RRHHMFQGHCFGMH-GBMIIZCJSA-N 354.490 4.450 0 1 FIAF Cc1ccccc1-c1nc(CN2CCN(C/C=C/c3ccccc3)CC2)co1 72179945 BJRCLJSYOYZJDX-YRNVUSSQSA-N 373.500 4.481 0 1 FIAF CC(C)n1c(Nc2ccc(Br)cc2)nc2cc(C(N)=O)ccc21 82191546 HFZKOKBNSBQNNM-UHFFFAOYSA-N 373.254 4.222 0 1 FIAF CN(c1cc(C(=O)Nc2ccnc3ccccc23)ncn1)C1CCCCC1 144837086 VTJGRAWDHPTQTQ-UHFFFAOYSA-N 361.449 4.046 0 1 FIAF C[C@@H](Sc1ccc2nnc(-c3cccc(Cl)c3)n2n1)c1ccn[nH]1 95603490 BYVKSUZLHSOAJT-SNVBAGLBSA-N 356.842 4.021 0 1 FIAF COc1ccccc1[C@@H](c1cccnc1)c1cc2c3c(c1)CCN3C(=O)CC2 95595936 ZFAYMNZFQOEKNJ-QHCPKHFHSA-N 370.452 4.106 0 1 FIAF C[C@H](CF)OC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N(C)C2 253714312 ZSLWUVZDXDAKIP-GPYXMWEOSA-N 353.865 4.055 0 1 FIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N(C)C4CCCCC4)ncc23)ccn1 261145809 NVAZXBMLBYRTOG-UHFFFAOYSA-N 364.453 4.125 0 1 FIAF Cc1c(Br)ccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c12 587245416 YCRUYBRMJVHLFE-MDZDMXLPSA-N 356.223 4.286 0 1 FIAF CC[C@H](CCC(=O)OC)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587804640 DUJSNZUYSKXZKQ-CZIZLABSSA-N 372.278 4.143 0 1 FIAF CCCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587762012 CKWPGHOFTPRHRU-BMLIUANNSA-N 366.278 4.127 0 1 FIAF COC(=O)c1cccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587135907 HUFUSFROVBYINE-UHFFFAOYSA-N 367.149 4.057 0 1 FIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cncc(Cl)c3[nH]2)c1 587202821 HUBVVRYIHYVOJP-UHFFFAOYSA-N 371.828 4.128 0 1 FIAF Nc1c(Br)cccc1-n1c(O)cc(C2CCCCC2)c1O 587935482 ASKFIMYCDATICB-UHFFFAOYSA-N 351.244 4.281 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2OCC3)N1 587837041 YYVCLSICRHXFLD-BMLIUANNSA-N 362.242 4.147 0 1 FIAF COc1ccc(-n2cccn2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587517592 QKIFKEHNKZVBQU-JOCHJYFZSA-N 374.440 4.466 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccoc1Br)CC2=O 587458747 LDWMILRXVAOAHH-AWEZNQCLSA-N 351.196 4.407 0 1 FIAF Brc1cncc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587951505 WSOXOTDOQOQKHM-UHFFFAOYSA-N 362.271 4.206 0 1 FIAF CCCc1c(O)ccc2c1O[C@](/C=C(\C)N(C)C)(c1nccs1)CC2=O 587492521 ALXSXBZDLMINHC-RPAADVPWSA-N 372.490 4.127 0 1 FIAF Cc1cc(-c2nc3cc(N)c(N)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878736 JHDHTGQUPPQDGM-UHFFFAOYSA-N 358.401 4.068 0 1 FIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587052755 LDZLFPJKNQFSRW-LLVKDONJSA-N 356.640 4.471 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3c1cnn3C(C)(C)C)O2 587391685 ODOLDKGOPMPETH-QFIPXVFZSA-N 367.493 4.362 0 1 FIAF O=C1CC(c2ccncc2)(c2ccncc2)Oc2c1ccc1c2CCCC1 587513248 BQEHZJARANJFBE-UHFFFAOYSA-N 356.425 4.264 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(C)(C)CCC(=O)O)N1 587826134 GRJVBMIVGRCALS-BTDLBPIBSA-N 372.278 4.229 0 1 FIAF O=C1O/C(=C\c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc21 586905887 FXXNACRZQAUPBV-AUWJEWJLSA-N 359.154 4.133 0 1 FIAF COc1cccc(C2(c3nc4cc(F)cc(C(=O)O)c4[nH]3)CCCC2)c1 587929915 ALIGEMMQKRPNSF-UHFFFAOYSA-N 354.381 4.269 0 1 FIAF C[C@@]1(Cc2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607906 IRMJRCBKVQTIHS-UGKGYDQZSA-N 362.381 4.061 0 1 FIAF CC(C)(C)n1cc(O)c([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)n1 962666628 KXFQIBNVQMTJJO-QHCPKHFHSA-N 361.489 4.420 0 1 FIAF CCOC(=O)[C@@H]1CCCC[C@@]12c1ccsc1CCN2Cc1cccn1C 962398733 NWVDFNXANUCUFL-GHTZIAJQSA-N 372.534 4.094 0 1 FIAF Cc1noc(C)c1-c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1 13828617 WNVUAYHCRBSSSL-UHFFFAOYSA-N 374.400 4.242 0 1 FIAF Cc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CCN1CCOCC1 14975837 KHIQQNMDIZNDBU-UHFFFAOYSA-N 368.521 4.147 0 1 FIAF CCOC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2c3ccccc3C[C@H]12 15952430 PTCKNXLVCDVUGX-SZMVWBNQSA-N 361.363 4.367 0 1 FIAF CC(C)c1ccc(C(=O)C2CCN(C(=O)c3cccc(O)c3)CC2)cc1 1857534847 HDLDYSDNTPFALY-UHFFFAOYSA-N 351.446 4.251 0 1 FIAF COc1cc2c(cc1OC)C(=O)C[C@H](c1cccc(CN3CCCC3)c1)O2 1857657056 VOBDWWMRAWTVTL-LJQANCHMSA-N 367.445 4.006 0 1 FIAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1Cl 4902804 UXQYGQOWXBPPRQ-SGTLLEGYSA-N 374.843 4.091 0 1 FIAF Cc1cc(C)c(NC(=O)c2cnc(Nc3cc(C)nc(C)n3)s2)c(C)c1 14952187 FNNHXGMYXKDQCH-UHFFFAOYSA-N 367.478 4.471 0 1 FIAF COc1cccc(C(=O)N[C@@](C)(C(=O)c2ccc(F)c(C)c2)C(C)C)c1C 27525038 QEHNDYIWOVNHGK-JOCHJYFZSA-N 371.452 4.479 0 1 FIAF Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)O)CCCC3)cc2)c1 28219430 MFGJUSZYYXRBNN-UHFFFAOYSA-N 367.445 4.261 0 1 FIAF CCNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)N(CC1CC1)CC3 28709210 RVWFZRGYOXCUSN-RRPUWOKSSA-N 368.521 4.263 0 1 FIAF CN(C)c1ccc([C@@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 28978530 JOPUNRLKCLQDOT-GOSISDBHSA-N 363.244 4.152 0 1 FIAF CCCCCCc1ccc(Oc2ccc(NC(=O)C(=O)O)cc2)c(O)c1 29049733 AFXKFWYRKGBORO-UHFFFAOYSA-N 357.406 4.330 0 1 FIAF N=C(N)c1ccc2[nH]c(-c3ccc4nc(-c5ccc(F)cc5)[nH]c4c3)nc2c1 45484096 MVKYDYZAFUBCME-UHFFFAOYSA-N 370.391 4.196 0 1 FIAF CCCCOC(C)(C)[C@@H](O)COCc1c2ccoc2cc2oc(=O)ccc12 59589133 YRBXEIZZSULQFM-IBGZPJMESA-N 374.433 4.012 0 1 FIAF biogenic,in-vitro Clc1ccc(-n2ccc(OCCCN3CCCCC3)n2)cc1Cl 95554461 OCLGDDRKWUPSAM-UHFFFAOYSA-N 354.281 4.434 0 1 FIAF C[C@@H](SC1=NS(=O)(=O)c2cccc(Cl)c2N1)c1ccccc1 95584998 QPHQPIOOQBSGRD-SNVBAGLBSA-N 352.868 4.305 0 1 FIAF COCCOc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 95589108 ANDINJSVEXTMCP-UHFFFAOYSA-N 372.428 4.461 0 1 FIAF Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1 101102242 IMYPSTHZBIWMNA-OQIWPSSASA-N 373.449 4.135 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 101201219 IWSCITFBDCQRGG-RKYNHSPNSA-N 350.499 4.479 0 1 FIAF CN(C)C(=O)n1s/c(=N/c2ccc(Cl)cc2)nc1-c1ccccc1 103185212 AHEACIVXFXFLHV-KNTRCKAVSA-N 358.854 4.027 0 1 FIAF O=C(Nc1ccccc1)c1c(NO)cc(-c2ccc(Cl)cc2)oc1=O 103238572 NWOFATKHTOVQGY-UHFFFAOYSA-N 356.765 4.014 0 1 FIAF O=S(=O)(c1cccc(Cl)c1)c1ccc2c3c(oc2c1)C[C@H]1CC[C@H]3N1 143282206 XCPJZNCXKVYSEJ-MLGOLLRUSA-N 373.861 4.268 0 1 FIAF CN1C(=O)[C@H](c2[nH]c3ccccc3c2N=O)c2ccc(Br)cc21 169685097 LLBYZFGYKBAKSL-AWEZNQCLSA-N 370.206 4.437 0 1 FIAF Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccsc1)[C@H]1C(=O)CCCC1=N2 169690524 DQUQBMQRDYUDDO-RTBURBONSA-N 362.458 4.224 0 1 FIAF CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14[C@@H](CC[C@@H]1[C@](C)(C(=O)O)CCC[C@]14C)C[C@@]32C 238737060 DKYREMSYQADEHR-XRWTTWOFSA-N 360.494 4.272 0 1 FIAF CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CCC(C)=CCC[C@@]1(C)O[C@@H]1C2=O 253637846 KPUMXAQMXKZBRD-OORRDAJDSA-N 362.510 4.465 0 1 FIAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 586891385 QHCNINJSIZNWND-DJJJIMSYSA-N 350.397 4.033 0 1 FIAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)C(C)C 586933029 LSCRJYGTMGSFRZ-QGZVFWFLSA-N 365.543 4.277 0 1 FIAF O=C(CCc1nc2ccc(Br)cc2[nH]1)Nc1cccc(F)c1 587163409 QKGVEONCGNCJSZ-UHFFFAOYSA-N 362.202 4.036 0 1 FIAF Nc1c(-c2nc3c(F)cnc(Br)c3[nH]2)ccc2ccccc12 587253552 LRPGGSDTBRDYAN-UHFFFAOYSA-N 357.186 4.262 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cncc(C)n3)cc1)O2 587393273 DSFIKAXOHGXTQZ-LJQANCHMSA-N 361.401 4.174 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc(C(=O)O)cc21 587410278 ZHVVMHAAGUQGPE-HSZRJFAPSA-N 371.392 4.165 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)c(OC)cc31)CC2=O 587471290 KTGBENKMYRQNDB-NRFANRHFSA-N 356.393 4.299 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(F)ccc(F)c31)CC2=O 587472820 VQHWRSCLDSSVCO-HXUWFJFHSA-N 360.356 4.266 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](c3ccnn3C)C1)CC2=O 587473961 AVONIEJPKUSHQO-QKKBWIMNSA-N 354.450 4.140 0 1 FIAF CN[C@H](C)[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508259 AGUYAMWDLWMZFV-CMJOXMDJSA-N 365.473 4.043 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(O)cc1F 587557164 MCNJSPUDQQGQPJ-XLIONFOSSA-N 370.307 4.079 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cnc1Cl 587572463 VFSAXJRJWRZRLU-MAUKXSAKSA-N 371.751 4.283 0 1 FIAF Nc1cccc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574641 GDEUOOOGKICAQY-NFBKMPQASA-N 373.408 4.168 0 1 FIAF Cc1cc(O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611329 SEYLHFITCGMAIF-SIKLNZKXSA-N 362.381 4.283 0 1 FIAF Cc1c(-c2c(C)n(CC(=O)O)c3ccccc23)[nH]c2c(C(=O)O)cccc12 587637702 GLQLUUITJUBNOP-UHFFFAOYSA-N 362.385 4.189 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N)c(Cl)c2)N1 587694299 LDOYKIVWNSZDLT-PWJLMRLQSA-N 369.665 4.447 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(F)c32)N1 587738270 MHXXRELFYNUIPQ-XTZNXHDOSA-N 364.233 4.451 0 1 FIAF CNc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587741436 HBXCZUYOPOBCGF-ZMZPIMSZSA-N 363.274 4.428 0 1 FIAF Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 587769545 GQBOOTSAMMCOIE-MGNBDDOMSA-N 374.257 4.168 0 1 FIAF FC(F)(F)c1c(Br)ccc2nc(CCOCC3CC3)[nH]c12 587783958 KBVYGPZNYSCIEK-UHFFFAOYSA-N 363.177 4.313 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c[nH]nc3c2)N1 587795712 OHJYZCAZSNMAOT-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ncccc23)N1 587801651 HQBCZXLHVWRHFV-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C=O)c2)N1 587815712 OZJIGQOVDDHJTA-BBATYDOGSA-N 362.242 4.198 0 1 FIAF CN1CCC(N(C(=O)c2ccc(Oc3ccccc3)cc2)C2CC2)CC1 621477665 HGHNWWMIPKURQB-UHFFFAOYSA-N 350.462 4.178 0 1 FIAF CC1=C(C(=O)OC(C)C)[C@H](c2ccsc2)N2C(=N1)Nc1ccccc12 653720240 FLDPOALIHQWAGV-KRWDZBQOSA-N 353.447 4.317 0 1 FIAF CCOC(=O)[C@]1(c2ccc3ccccc3c2)NCCc2cc(C)c(F)cc21 962144467 LENFMZYFFAMCEI-HSZRJFAPSA-N 363.432 4.240 0 1 FIAF CCc1cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)no1 962643256 PYTJJWMTDBVLNC-XXBNENTESA-N 359.473 4.073 0 1 FIAF Cc1sc2c(c1C)CCN[C@@]21CN(Cc2ccccc2)C[C@@H](C)[C@H]1C 963018499 GFWGBNGGPOLHBJ-ZDPZECHZSA-N 354.563 4.494 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@]12C(=O)Nc1cc(F)c(Cl)cc12 963242963 QTWALWHSILLOIC-ODXCJYRJSA-N 358.844 4.331 0 1 FIAF Cc1nc(-c2cccc3ccccc23)sc1C(=O)N(CCO)C(C)C 1772619782 CDLNQUHBEVLBIP-UHFFFAOYSA-N 354.475 4.115 0 1 FIAF Clc1cccc(C[C@]2(COc3cccnc3)CCCNC2)c1Cl 1857567039 FKQDFHYODLXLCO-GOSISDBHSA-N 351.277 4.380 0 1 FIAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 2356316007 WBBBSXCZAMJSLC-NSHGMRRFSA-N 369.509 4.192 0 1 FIAF CC1=CCC[C@@H](C(=O)O)CCC[C@H](C(=O)O)[C@H]2C[C@@H](CC1)C(C)(C)O2 2356392652 KWEBFCAMVUQYNP-WCXIOVBPSA-N 352.471 4.262 0 1 FIAF CC(=O)OC[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@@H]3C(=O)OC[C@@H]3[C@@H]12 2356643539 VZBPCACFUSYFQW-TVVBOSTDSA-N 362.510 4.217 0 1 FIAF C[C@@H]1CCCCN1c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 6750588 BBBMRRQYOKOGDC-SNVBAGLBSA-N 351.863 4.214 0 1 FIAF CN(C)C[C@H]1C[C@H]2c3cc(C(F)(F)F)ccc3Cc3ccccc3N2O1 13437244 WPLHYZJLPBROHU-APWZRJJASA-N 362.395 4.423 0 1 FIAF COC(=O)[C@@H]1CC[C@H]2c3cc(OC)c4cc(OC)ccc4c3CC[C@@]12C 17326407 RJVUHVSRJUDNRA-CNNODRBYSA-N 354.446 4.476 0 1 FIAF biogenic CN(C)CCCOc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12 26578071 UFYFFYMTGZFKBS-UHFFFAOYSA-N 356.853 4.179 0 1 FIAF O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CCCN(C2CCC2)C1 45168302 CPVGQZIJTLJEMH-QGZVFWFLSA-N 374.488 4.433 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2)n1 82214726 MVJAVIVNGMSDCN-ULQDDVLXSA-N 366.509 4.472 0 1 FIAF COc1ccc2c(c1N)CCCC=C2c1cc(OC)c(OC)c(OC)c1 103291486 SYYBLRUEWHUFHM-UHFFFAOYSA-N 355.434 4.071 0 1 FIAF CC1(C)CC(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)=CCO1 139327306 VXEYHEVCUFBTHK-UHFFFAOYSA-N 372.472 4.211 0 1 FIAF Cc1cccc(C#CC=C2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)n1 141378916 FNHKUHMKWHDZML-IBGZPJMESA-N 359.473 4.235 0 1 FIAF CCCCC[C@](C)(O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCSCC(=O)O 169337982 KCPJHQSGNZDCMD-LUXMMRJESA-N 370.555 4.457 0 1 FIAF Cc1ccc2c(c1)[C@H](O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2 169346079 MHEIWXRPTRFLOS-QFIPXVFZSA-N 357.453 4.452 0 1 FIAF Nc1cnc(-c2ccc(C3CCCCC3)c(Oc3ncccn3)c2F)cn1 224558603 IUSNNDBMWNKGGJ-UHFFFAOYSA-N 365.412 4.495 0 1 FIAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2cccc(F)c2)n(CC(F)(F)F)n1 299824571 LKMCYAKQUCOEKN-JOYOIKCWSA-N 356.323 4.352 0 1 FIAF Fc1cnc(Cl)c2[nH]c(-c3ccnc(Cl)c3Br)nc12 586979833 WOZAUJRXYQHRON-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF Nc1c(F)c(F)cc(-c2nc3ccc(Br)c(F)c3[nH]2)c1F 587136810 NMFCMYPUECFKOB-UHFFFAOYSA-N 360.108 4.131 0 1 FIAF COc1cc(F)ccc1-c1cccc(Cc2nc3cncc(OC)c3[nH]2)c1 587159754 WYADGDQVOKELEO-UHFFFAOYSA-N 363.392 4.372 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4cccc5c4c(c3CC[C@@H]21)CC5 587211506 FWZDAPQOEYAUGP-WMZOPIPTSA-N 350.462 4.373 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(F)c1)O2 587386922 XUOFFNILNZVKMO-OAHLLOKOSA-N 350.187 4.185 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](O)c1ccccc1)O2 587404442 QGYOCLMKIDRKIR-XZOQPEGZSA-N 359.425 4.172 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(F)cc(C(F)(F)F)cc1F)[C@@H](C2)C3=O 587418904 DYXVKXWCTNXKCO-BTDLBPIBSA-N 370.273 4.481 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1F)[C@@H](C2)C3=O 587426134 LPAWHASMPHWMRX-YVEFUNNKSA-N 363.182 4.086 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(Cl)c1 587549271 ZEUUAMMZPUNBTL-PXNSSMCTSA-N 368.772 4.454 0 1 FIAF O=CNc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622382 AKQDFOCYWVXQRC-UHFFFAOYSA-N 355.195 4.042 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H]2CCCCC2=O)N1 587818470 DMYPQQWMOHIPBM-SUFBMKPHSA-N 368.290 4.487 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@H]1C[C@H]4[C@H]3[C@H]12 587820553 AGNIDVCDKDFCAY-YPGCMTNJSA-N 374.297 4.096 0 1 FIAF COc1ccsc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587844168 MYGOGWRVTPISRQ-FVMDXXJSSA-N 370.287 4.456 0 1 FIAF CC(C)Oc1cc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2cc1Br 587961931 HGRUOWDYPVCOMY-MNOVXSKESA-N 365.271 4.270 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(OC)c2oc(N)nc2c1 963229638 ONBMACYGJDSBFA-DJJJIMSYSA-N 351.450 4.165 0 1 FIAF O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(O)cc1 1857558136 MCFVAJQSSWIGSN-UHFFFAOYSA-N 366.398 4.001 0 1 FIAF Cn1ccc2cc(-c3cn4c(-c5cccc(CO)c5)cnc4cn3)ccc21 1857575635 YXPZVYJDDZGZCE-UHFFFAOYSA-N 354.413 4.047 0 1 FIAF Cc1ccc([C@H]2c3c(n[nH]c3C)Oc3nc4c(c(N)c32)CCCC4)c(C)c1 1857750677 BPWNIPZCXDIMFG-SFHVURJKSA-N 360.461 4.477 0 1 FIAF COc1cc(C[C@H](CC(=O)O)C[C@H](C)OCc2ccccc2)cc(OC)c1 7039568 XTQXBGGKYKPJDW-FUHWJXTLSA-N 372.461 4.333 0 3 FIAF O=C(NCC1CCCCC1)c1nc(C(F)(F)F)[nH]c1-c1ccccc1 72136161 WGGULNYFFBDSBD-UHFFFAOYSA-N 351.372 4.406 0 3 FIAF CC[C@@H]1CC[C@H](C)N(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 3955306 LBQBVEOMGIXIIR-JKSUJKDBSA-N 362.477 4.336 0 1 FIAF CC(=O)Oc1ccc2c(c1)O[C@@H]1c3ccc4c(c3OC[C@@H]21)C=CC(C)(C)O4 2356422840 KNGZVZWMGYZZIN-LAUBAEHRSA-N 364.397 4.406 0 1 FIAF CC1=NN=C(N)N/C1=C/[C@H](Sc1ccc(Cl)cc1)c1cccs1 102958587 RUHVYEWVBWKGEC-GLNPCMGASA-N 362.911 4.413 0 1 FIAF CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4COC[C@@]4(CCC(=O)O)C3=CC[C@]12C 2356324882 LTMONJJANNHFRQ-FYLZUWAUSA-N 358.478 4.156 0 1 FIAF O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 63539287 KLZLCOULUPUMAI-UHFFFAOYSA-N 366.244 4.089 0 1 FIAF Fc1nc(NCc2ccc(Cl)cn2)ccc1Cc1c[nH]c2ncccc12 117422465 WSVABZVBVLNZQU-UHFFFAOYSA-N 367.815 4.348 0 1 FIAF CCCC[C@H](c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1 28817195 OCQQXUAEVBSCMZ-JOCHJYFZSA-N 352.522 4.360 0 1 FIAF C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 66139816 CUNXRJULRVVRTI-CQSZACIVSA-N 363.417 4.021 0 1 FIAF CCCCN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 27861586 LSOMCXBDJUJJMU-ROUUACIJSA-N 365.429 4.141 0 1 FIAF COc1cc(F)ccc1-c1csc([C@H](NC(C)=O)c2cccc(F)c2)n1 61905267 PAHNJBHUPIPAOQ-GOSISDBHSA-N 374.412 4.322 0 3 FIAF NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)c(C(F)(F)F)c1 34985047 IREONPSESQLMFQ-UHFFFAOYSA-N 372.346 4.267 0 1 FIAF Cn1cc([C@@H](CN)c2cncc(/C=C\c3ccncc3)c2)c2ccccc21 37867092 SJDGHXXYFFXVPE-NGXITPROSA-N 354.457 4.229 0 1 FIAF COc1cc(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)cc1O)CC2=O 14762612 KRZULWISCLYGBT-LJQANCHMSA-N 370.401 4.027 0 1 FIAF biogenic COC(=O)[C@@H](C)[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 45300532 JABZAHXSNKLWRQ-XDLOIZJZSA-N 373.537 4.051 0 1 FIAF CCOc1ccccc1CNc1cc(-c2cc(F)ccc2OC)ncn1 82160415 VJJRSXDCKCGMGM-UHFFFAOYSA-N 353.397 4.302 0 1 FIAF CCOc1cccc(-c2cc(NCc3ccc(OC)c(OC)c3)ncn2)c1 82162177 XJYHRYVMWVPEEK-UHFFFAOYSA-N 365.433 4.172 0 1 FIAF CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3cccc(F)c3)n2)C1 82068880 JRPFBMYBYZBGRP-MGPUTAFESA-N 359.445 4.397 0 1 FIAF COC(=O)CCc1sc(Nc2cccc(C)c2)nc1-c1ccncc1 45321244 PRFIRKZNKPTMBD-UHFFFAOYSA-N 353.447 4.363 0 1 FIAF CC(=O)OC/C=C(\C)CC[C@H]1C(C)=CC[C@H]2[C@@](C)(CO)C[C@H](O)C[C@]12C 238739163 WZZRZMFFZNXNGP-KXDPKLCFSA-N 364.526 4.018 0 1 FIAF CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C 95553315 QYTYCKLIPDRLNJ-UHFFFAOYSA-N 370.537 4.293 0 1 FIAF COc1c2c(cc3c1[C@H](OC)[C@@H](O)[C@H](c1ccccc1)O3)OC(C)(C)C=C2 86005093 GCEYXEPIXWDBIE-ZJOUEHCJSA-N 368.429 4.062 0 1 FIAF biogenic COc1ccc(CCCCN2CCn3c(nc4ccccc43)C2)c(F)c1 2382252050 PRWJQIDAPSMDMT-UHFFFAOYSA-N 353.441 4.023 0 1 FIAF COC(=O)[C@@H]1CCCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993603 YJNJUFOWZUZKPI-OAHLLOKOSA-N 373.408 4.135 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3cccnc3c2)N1 587779637 VBYXYFPFQNLZIC-YPMLDQLKSA-N 372.241 4.155 0 1 FIAF CC(C)(C)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2n1 587091221 GYQDWZHGAOVFNR-UHFFFAOYSA-N 350.344 4.259 0 1 FIAF CCCCc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587796054 ZUXVYCUCIFSYEC-DYZYQPBXSA-N 366.278 4.278 0 1 FIAF CCc1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1 587243928 CPYZUZCBABSPFE-UHFFFAOYSA-N 360.417 4.265 0 1 FIAF CC[C@]1([C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357374 NIWREGZVTXXKKB-UQIDSAAFSA-N 356.393 4.076 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Cl)cn1)[C@@H](C2)C3=O 587421856 NSBCWOSADVLVDT-VBKZILBWSA-N 366.804 4.023 0 1 FIAF COCC[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350841 SJFXSWQHYIDHMS-FPOVZHCZSA-N 358.409 4.322 0 1 FIAF CCOc1n[nH]c(-c2nc3cc(C)c(Br)cc3[nH]2)c1Cl 587065682 XOOOCNAPNXYMKF-UHFFFAOYSA-N 355.623 4.076 0 1 FIAF COC(=O)c1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006490 ONGMQDPKTSRICH-UHFFFAOYSA-N 370.206 4.032 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1C[C@H](CC(=O)O)C1(C)C)CC2=O 587491461 WCWDZABRXHJDFD-LAECCNGNSA-N 360.450 4.206 0 1 FIAF CCS(=O)(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587967221 MQIGYYANYZSHPX-UHFFFAOYSA-N 356.491 4.196 0 1 FIAF O=C(NCc1nc2cnc3ccccc3c2[nH]1)c1cccc(C(F)(F)F)c1 587112203 QTVNUNPVPAHFKL-UHFFFAOYSA-N 370.334 4.060 0 1 FIAF O=C(N[C@@H](c1ccccc1)c1nc2cncc(Cl)c2[nH]1)c1ccccc1 587221969 XDZMNHYOSGRLQF-KRWDZBQOSA-N 362.820 4.131 0 1 FIAF COCC[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587794744 PTYLPFVICAFOSM-ZUCKAHLUSA-N 356.279 4.154 0 1 FIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587558474 SKZHYGBGAPOTEF-WIYYLYMNSA-N 366.344 4.243 0 1 FIAF Cc1nc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587852423 KXKFOZJVPALLFB-VPTHRUTESA-N 369.303 4.459 0 1 FIAF Cc1csc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587852886 NXQLWWNVSSXUPB-ANRSDYALSA-N 355.276 4.151 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCCC[C@@H]2O)N1 587834106 QVKPOJNYLRVVMB-NVGVWMPQSA-N 356.279 4.033 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2N)N1 587693837 FTKHWNHVEWCSRH-ZKANADHPSA-N 369.665 4.447 0 1 FIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 587926110 HPXCXEYYURKDSL-CQSZACIVSA-N 368.433 4.283 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)sc2C=O)N1 587738644 PTEGXZXLIMJSKP-ZIDLFYJRSA-N 372.234 4.225 0 1 FIAF Fc1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1F 587127108 MGBJCLLGKNEJBO-UHFFFAOYSA-N 354.238 4.283 0 1 FIAF FC(F)(F)c1cnc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587075034 BOVFFKDKTQXMPJ-CYBMUJFWSA-N 366.730 4.247 0 1 FIAF O=C(O)C[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587529610 QEGYQUVLXQBEFT-NPMXOYFQSA-N 362.425 4.388 0 1 FIAF CC(C)[C@H]1C[C@@]2(CS1)NC1(CC1)Cc1ccc(Br)cc12 961615605 QJIJSBFIWSRGKA-WBVHZDCISA-N 352.341 4.484 0 1 FIAF Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31NC[C@@H]2CC(=O)N(C)c3cccc1c32 963031650 RESJYJDLPCNRSM-OWJWWREXSA-N 371.484 4.110 0 1 FIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2c[nH]c3c2ccc2ccccc23)N1 962922097 OUUGVVCAKYCSLQ-RXVVDRJESA-N 360.388 4.149 0 1 FIAF CN1[C@H]2CC[C@@H](OC(=O)C(Cl)(c3ccccc3)c3ccccc3)[C@H]1CC2 169296410 QYFGNSZBWRHVCX-VAMGGRTRSA-N 369.892 4.337 0 1 FIAF CC(=O)c1cccc(-c2ccc(C[C@@]3(C)SC(=O)[C@H](C)C3=O)cc2)c1 169720209 HELNUCPCXSQUQA-LRTDBIEQSA-N 352.455 4.336 0 1 FIAF CC=C1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OCCCC)cc12 1857542198 WMSPUBUUTSNSNU-PDIWNELESA-N 366.505 4.488 0 1 FIAF N=c1[nH]c(CCCCOc2ccccc2)c(-c2cccc(Cl)c2)c(=N)[nH]1 1857603001 OLHPUVLKDMJXEA-UHFFFAOYSA-N 368.868 4.024 0 1 FIAF Cn1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc2c(F)c(Cl)ccc21 1857774520 CWRZVFYKDOGAFA-UHFFFAOYSA-N 365.880 4.010 0 1 FIAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@H](C1CCCCC1)C2 39220335 PEMAXPHUHOGZQE-NSHDSACASA-N 357.233 4.392 0 1 FIAF CN(C)CCCCN1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1 1887579 JMLZYVMMUDKHMM-FQEVSTJZSA-N 372.940 4.377 0 1 FIAF CCCN(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)c1cccnc1 3937749 SDOVHKUEMQAISV-SFHVURJKSA-N 353.293 4.377 0 1 FIAF COc1c(O)ccc2c1OC[C@@H]1c3ccc4c(c3O[C@H]21)C=CC(C)(C)O4 14650506 JQFXBCOZQHXLQX-RDTXWAMCSA-N 352.386 4.195 0 1 FIAF endogenous,in-man C/C(=C\CC/C(C)=C/CC/C(=C/Cc1cc(O)ccc1O)C(=O)O)CO 15251935 YMBZMWGZXRRFEN-KPJMVHGFSA-N 360.450 4.097 0 1 FIAF CN(CC[C@H](Oc1cccc(C(F)(F)F)c1)c1ccccc1)CC(=O)O 26155190 PTESONWRHLYVBY-KRWDZBQOSA-N 367.367 4.232 0 1 FIAF O=C(O)CCCc1ccc(NC(=O)c2ccccc2OC(F)(F)F)cc1 26575613 NBDCVASIGZQKRZ-UHFFFAOYSA-N 367.323 4.245 0 1 FIAF CCCC[C@@H](O)CSC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28097273 HUOIPUKSNAXOPY-VVNQDFGSSA-N 370.555 4.266 0 1 FIAF O=C1NC(=O)[C@@H](c2cc(Cl)ccc2SCc2ccc(Cl)cc2)N1 28227980 SPLMGGIJFIXMGO-CQSZACIVSA-N 367.257 4.166 0 1 FIAF O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1cccc(F)c1 28889285 GEDVVWSAYINLFO-RMKNXTFCSA-N 357.381 4.363 0 1 FIAF Cc1ccc(Cl)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1 28950535 UJEWVYVKAAISMF-UHFFFAOYSA-N 353.813 4.025 0 1 FIAF Cc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1 29047630 KOVDKSVXCYRFIA-UHFFFAOYSA-N 351.083 4.138 0 1 FIAF CCCCC[C@H](O)[C@@H](/C=C/[C@@H](CCCCCCCC(=O)O)OC)OC 33820469 NMFUHXXKMLKRGE-KZCHHRLSSA-N 358.519 4.329 0 1 FIAF Cc1cccc(Nc2nc(-c3ccncc3N3CCN(C)CC3)cs2)c1 72114211 UUQVBRSMVSLTSN-UHFFFAOYSA-N 365.506 4.009 0 1 FIAF CC(=O)c1c(Nc2cc(F)cc(F)c2)[nH]c2c(F)ccc(F)c2c1=O 84603408 CTODFIISQNHUKK-UHFFFAOYSA-N 350.271 4.031 0 1 FIAF CSc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1 95602136 ZUZQTKJXIWLYMU-UHFFFAOYSA-N 362.451 4.008 0 1 FIAF O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3ncccc23)cc1 96923887 AGEJQGZNRHFFFV-UHFFFAOYSA-N 356.385 4.063 0 1 FIAF Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4n[nH]c(=S)n4C=N[C@@H]32)cc1 98084926 PISARBHCSOYSAU-QZTJIDSGSA-N 359.458 4.110 0 1 FIAF O=C(OC1[C@@H]2CC[C@@H]1[C@H]1CN(CCc3ccccc3)C[C@@H]12)c1ccccc1 103128748 MWVAYBRVMWOVBX-GXRSIYKFSA-N 361.485 4.043 0 1 FIAF CC(C)Oc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1 169326610 CLOVICBVGBJXBZ-UHFFFAOYSA-N 368.462 4.314 0 1 FIAF CC(=O)O[C@@H]1C[C@@H](/C(C)=C\CC=C(C)C)[C@H]2[C@@H]3C(=O)C[C@H](OC[C@@H]12)[C@H]3C 197682935 KKDFVJMHBWOJRT-IHAZEVLTSA-N 360.494 4.097 0 1 FIAF CC(C)[C@@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F)[C@H](C)O 204414775 VGVBWBRPZZTQOQ-KPZWWZAWSA-N 370.390 4.402 0 1 FIAF Cc1cc(NCCCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1 473160544 YGVOQUMIGUWBLV-UHFFFAOYSA-N 357.461 4.453 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CCC(=O)[C@H](C3)C1 586989512 ABYBOLDQEKLGBV-NEPJUHHUSA-N 355.393 4.161 0 1 FIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1nccs1 586994502 VOOZIARMJSFEFF-UHFFFAOYSA-N 372.405 4.034 0 1 FIAF O=C1CSc2ccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2N1 587044128 PFPDBJXCLYQGDC-UHFFFAOYSA-N 367.327 4.432 0 1 FIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 587076617 XVGHPAZXOHLQCC-UHFFFAOYSA-N 366.808 4.149 0 1 FIAF N[C@@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@H]1c1ccccc1F 587154738 GHAKHVQRDLREBD-QFYYESIMSA-N 353.294 4.201 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 587232764 AQKSGKHTXKZBAZ-DTWKUNHWSA-N 371.268 4.426 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587233650 SBSMEYQWSMBTNX-WCBMZHEXSA-N 355.360 4.141 0 1 FIAF C[C@@]1(c2ccnc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331845 CAYPVQNDVRTFPV-FPOVZHCZSA-N 367.351 4.340 0 1 FIAF CC(C)CC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353073 KZGIRYASIUREIY-TZIWHRDSSA-N 356.393 4.264 0 1 FIAF CO[C@]1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C 587353659 RPTREOJIODQMLP-BWAGFHJFSA-N 370.420 4.464 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(C(=O)O)cc1)O2 587408531 OLBKDEXQDGPZNP-QHCPKHFHSA-N 373.408 4.184 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(SC(C)C)nc3sccn13)O2 587415811 YFLJGOHNERVWAQ-AWEZNQCLSA-N 373.503 4.493 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(CN4CCCC4)cs1)[C@@H](C2)C3=O 587452248 NRLRBKOCJLXIKK-HRAATJIYSA-N 369.486 4.015 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(OC)c1O)CC2=O 587461622 LGQYMLUIUATGDG-INIZCTEOSA-N 362.809 4.419 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1[nH]c(C)c(C(C)=O)c1C)CC2=O 587480846 FWWSNGFEYBRQON-NRFANRHFSA-N 355.434 4.373 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1C)OCCO3)CC2=O 587491834 QAXMMYSMCBJOPB-SFHVURJKSA-N 354.402 4.131 0 1 FIAF Cc1cc(Cl)ncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553232 ULIUSTMGSXERTF-YLJYHZDGSA-N 367.788 4.452 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2F)N1 587721425 VHNMGZXFSJIQTH-VPTHRUTESA-N 354.194 4.057 0 1 FIAF CCCn1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587757378 VBOLVDLBKPYYPD-PIGZYNQJSA-N 351.263 4.423 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CC3(CCC3)C2)N1 587817014 HFXPBMCLCPAHGA-ZMZPIMSZSA-N 366.274 4.241 0 1 FIAF COc1ccc(/C=C\Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(OC)c1 587928995 JBIYDVOBZVMRSH-ARJAWSKDSA-N 374.343 4.158 0 1 FIAF COc1ccc(C2(c3nc4nc(Cl)c[nH]c-4n3)CC3(CCC3)C2)cc1 587934073 AOTRUXQVPMLQKD-UHFFFAOYSA-N 354.841 4.217 0 1 FIAF CC(C)(CCCOc1ccc(-n2nc3ccc(Cl)cc3n2)cc1)C(=O)O 653760662 MUQHPKDBUUTSLZ-UHFFFAOYSA-N 373.840 4.344 0 1 FIAF Cn1cccc1CN1CCc2sccc2[C@@]12CCc1cccnc1CC2 962401092 VFGXXHKNJWPXDZ-QFIPXVFZSA-N 363.530 4.314 0 1 FIAF Cc1ccc2oc([C@@]3(C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)cc2n1 962765074 LYOFRBVANYHOQF-BEFAXECRSA-N 374.362 4.045 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cnc(SC)nc2C)N1 962943334 GQDXMCFCALOKQQ-RBZFPXEDSA-N 352.507 4.176 0 1 FIAF Cc1ccc(Cc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1 1857634243 YMPHYNAKUYDKID-UHFFFAOYSA-N 359.425 4.153 0 1 FIAF COc1ccc(Cl)c(-c2ccc(NC(=O)C3CCN(C)CC3)cc2)c1 1857760703 ORPDNJKSNBDZPM-UHFFFAOYSA-N 358.869 4.296 0 1 FIAF CC=C(C)C(=O)OC[C@H](O)COC(=O)CCCCCCCCC(C)C 2356387783 HNPJJKNQIKKJJL-GOSISDBHSA-N 356.503 4.177 0 1 FIAF COc1ccc(-c2nnc(C[C@@H]3C[C@H](C(C)C)[C@@H](CO)C=C3C)o2)cc1 2356574368 XQJHZSOKBXQFEE-YQVWRLOYSA-N 356.466 4.135 0 1 FIAF COc1ccccc1C1=NO[C@@](C)(c2nnc(-c3cccc(Cl)c3)o2)C1 12477994 FWEDUAWAWWNMPC-LJQANCHMSA-N 369.808 4.438 0 3 FIAF CCCCO[P@@](C)(=O)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F 1644553 NOJKENVRJDSSCH-HSZRJFAPSA-N 373.230 4.278 0 1 FIAF COc1cc(OC)c2c(c1)O[C@@H](c1cccnc1)[C@@H](c1ccccc1)C2=O 13220539 FSMNLYWDBIFGPC-UGKGYDQZSA-N 361.397 4.199 0 1 FIAF CC[C@H](CCc1ccc(O)c(OC)c1)OC(=O)NCCc1ccccc1 13489525 CHCHVSVVTCRTAN-GOSISDBHSA-N 357.450 4.081 0 1 FIAF O[C@@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12 14957657 WYLVFMBGPRCDQF-RRFGBZISSA-N 371.440 4.111 0 1 FIAF CCCN(c1c(CC)cccc1CC)S(=O)(=O)c1ccc(O)c(C)c1 28568908 OQSPUFMFVJYHSB-UHFFFAOYSA-N 361.507 4.431 0 1 FIAF Cc1ccc([C@]2(Cn3ccnc3)OC[C@H](c3ccccc3Cl)O2)cc1 28768395 NRXCPFBHZMFIAH-WOJBJXKFSA-N 354.837 4.486 0 1 FIAF C[C@H]1CCC[C@@H](C)N1C[C@H](O)COC(c1ccccc1)c1ccccc1 40631554 JGCOVNBZGICBIO-JQVVWYNYSA-N 353.506 4.416 0 1 FIAF COc1cc(Nc2cncc(Oc3ccccc3)n2)cc(OC)c1OC 40938578 JGFQXZNMHKPSME-UHFFFAOYSA-N 353.378 4.038 0 1 FIAF C[C@H](CC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1)C(F)(F)F 71319432 WIMUGMJHEBUWGZ-SNVBAGLBSA-N 373.400 4.093 0 1 FIAF COCCO[C@@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 95590156 SXVNZFOIDCRHRH-WWFGTJDESA-N 369.505 4.344 0 1 FIAF O[C@H](CN1CCCCC1)[C@H]1Oc2ccccc2[C@H]1CCc1ccccc1 96902510 WXYWDEZLAOBARR-XPNTWCBSSA-N 351.490 4.011 0 1 FIAF COc1cc(C[C@@H]2C=C(c3ccccc3)CCN2C)cc(OC)c1OC 169320223 VDEWLNRSEGMADL-LJQANCHMSA-N 353.462 4.043 0 1 FIAF CCCCn1c(=O)c2c(c3cc(C(=O)N4CCCC4)ccc31)CCCCC2 169328422 QGJAJDMJCOAHBH-UHFFFAOYSA-N 366.505 4.307 0 1 FIAF CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3ccc(F)cc23)CC1 205024281 HKVKCOAWOFYATE-UHFFFAOYSA-N 371.500 4.138 0 1 FIAF Cc1nc2nc(-c3ccc(OC(F)F)cc3)[nH]c2cc1Br 404576179 LHBUONLZXDXIMU-UHFFFAOYSA-N 354.154 4.297 0 1 FIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(C)cnc(Cl)c2[nH]1 586972228 FLACYRUHAPKVRP-AWEZNQCLSA-N 374.897 4.030 0 1 FIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3ccc(F)c(F)c3[nH]2)c[nH]1 587060685 LVGWQFFIJWXSCS-UHFFFAOYSA-N 357.751 4.031 0 1 FIAF COc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1F 587147975 WJNQJMYXIMCRRB-UHFFFAOYSA-N 358.323 4.056 0 1 FIAF COc1cncc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c12 587164634 YHLWSFRZILOUEB-UHFFFAOYSA-N 362.364 4.025 0 1 FIAF CCc1ccccc1NC(=O)c1nc2cc(-c3ccc(N)c(N)c3)ccc2[nH]1 587240292 BGRNKECEBGHTAE-UHFFFAOYSA-N 371.444 4.209 0 1 FIAF CCCCOc1cc2nc(-c3cncc(N)c3)[nH]c2cc1Br 587254663 UJLNRLGLQCIUMX-UHFFFAOYSA-N 361.243 4.149 0 1 FIAF C[C@]1(Cc2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334482 FFTNUVZBCPAGSV-IFMALSPDSA-N 363.388 4.287 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCc3cc[nH]c32)[C@@H]1c1ccc(F)cc1 587344930 HWHKBLOSOMAYRA-DENIHFKCSA-N 363.388 4.450 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(OC)cc1OC)[C@@H](C2)C3=O 587424355 ZOSMBSMEYXNTDP-RNODOKPDSA-N 374.820 4.029 0 1 FIAF CCCc1c(O)ccc2c1O[C@](Cc1ccccn1)(c1cccnc1)CC2=O 587488809 KDKKAYSJPKZSHU-QHCPKHFHSA-N 374.440 4.238 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587513845 USJGHUKMKZXAPK-GCJKJVERSA-N 371.477 4.347 0 1 FIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525046 PGKGDZWRAHBBFH-JVJLVOBOSA-N 356.462 4.269 0 1 FIAF CCC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585565 DPBAIPPBTXLJGO-DENIHFKCSA-N 361.397 4.444 0 1 FIAF CCC[C@@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617086 OTZXHJVTIGROQI-IBZMOEQTSA-N 354.402 4.072 0 1 FIAF Cc1[nH]c2c(C(=O)O)cccc2c1N1C(=O)c2ccccc2N/C1=C/Cl 587638807 QQXMLYCBEGLVIS-DHDCSXOGSA-N 367.792 4.285 0 1 FIAF Cc1cccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587768908 DQGMTIAGJGEDAN-KPZWWZAWSA-N 363.274 4.284 0 1 FIAF CCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587775067 YSAQRKOUTXHFEW-DYZYQPBXSA-N 365.246 4.006 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cc3ccccc3OC2)N1 587832275 BFSGKOHOBXOXDN-HXPMCKFVSA-N 374.253 4.424 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3ccccc32)N1 587841068 LWMUASGRJNEVPJ-BBATYDOGSA-N 360.226 4.272 0 1 FIAF CCOC(=O)c1cccc(C[C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)c1 963102907 GKDBSBZPIGAQKO-AUSIDOKSSA-N 367.464 4.481 0 1 FIAF Cc1ccc(F)cc1-c1cccc([C@@]2(c3ccccc3)NC(=N)N(C)C2=O)c1 1857534116 OHEKMGYANKEYGO-HSZRJFAPSA-N 373.431 4.041 0 1 FIAF c1ccc(-c2nnn3c2[C@H]2c4ccccc4CCN2Cc2ccccc2-3)cc1 1857554353 VPTJNXMKLVQWHQ-HSZRJFAPSA-N 364.452 4.395 0 1 FIAF C[C@H](C[C@@]1(C(=O)O)[C@H]2CCC=C3C(=O)OC[C@]32CC[C@H]1C)c1ccoc1 2356463892 QJSXPJCSCZFGGZ-NBCZGMCQSA-N 358.434 4.154 0 1 FIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1C3=CC=C(C4=CC(=O)OC4)[C@]3(C)CC[C@@H]12 3897194 CJAOKHQEBDVGKO-WFHIMZCYSA-N 354.490 4.330 0 1 FIAF biogenic COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN(C)C12CC3CC(CC(C3)C1)C2 3975587 WDAORISNIKINDU-DJPSOOTJSA-N 353.506 4.018 0 1 FIAF C/C=C\[C@@H]1[C@@H](C(=O)OCc2c(F)c(F)c(COC)c(F)c2F)C1(C)C 11616677 KVIZNNVXXNFLMU-DUVUQDDDSA-N 360.347 4.281 0 1 FIAF in-vitro CC1=C[C@@H](C/C(C)=C\COc2c3ccoc3cc3oc(=O)ccc23)OC1=O 13360945 CCBYKOUIUXULII-WTKLMOFPSA-N 366.369 4.126 0 1 FIAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3[C@H](O)[C@H](C)[C@H]2C)cc1OC 14641121 WBRPUFHEMGUPKR-DOAMHWHOSA-N 372.461 4.172 0 1 FIAF biogenic O=C(Nc1ccc(Cl)c(Cl)c1)c1scnc1CCc1cnoc1 14946558 KNWXVPAOUWNWFO-UHFFFAOYSA-N 368.245 4.475 0 1 FIAF Cn1c(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)nn2c1=S 26816228 OSKSMHSZVXZJSM-UHFFFAOYSA-N 353.838 4.180 0 1 FIAF O=C1O[C@@H](COc2ccccc2)CN1c1ccc(C2=CCOCC2)c(F)c1 27417893 ADPSFOQJJBSKGM-GOSISDBHSA-N 369.392 4.034 0 1 FIAF CCc1ccc(/C(=C\C[C@H](N)C(=O)O)c2ccc(F)cc2F)cc1CC 28768815 WNTAPKFMXVBWHD-ZUNINTSYSA-N 359.416 4.323 0 1 FIAF CC(=O)CCCNc1c(OCc2ccccc2)ccc2c(C)cc(=O)oc12 35000904 KPXVNRISGFBKPN-UHFFFAOYSA-N 365.429 4.462 0 1 FIAF CCCC(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc3c2c1O[C@H](C)C3 42890403 IREJUXFEISIADM-GFCCVEGCSA-N 356.418 4.314 0 1 FIAF biogenic CCO[C@@H](c1ccc(Cl)cc1)[C@H](n1ccnc1)S(=O)(=O)C(C)(C)C 45365847 LEBRSRSANYGCEZ-JKSUJKDBSA-N 370.902 4.026 0 1 FIAF COc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1 58575778 BTKBSAYJTCJZMD-UHFFFAOYSA-N 355.459 4.190 0 1 FIAF NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 66251361 ZYRYBBGMNLVUJU-LJQANCHMSA-N 373.460 4.094 0 1 FIAF O=C(C1CCCCCC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 95589297 VAPXQZBCNBUKCY-SFHVURJKSA-N 353.466 4.413 0 1 FIAF O=C(Cc1ccccn1)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 116814664 AXHWFMNIDPYRFF-UHFFFAOYSA-N 358.445 4.203 0 1 FIAF O=C(Nc1ccc([C@H]2CCCNC2)cc1Cl)c1ccc(Cl)nc1 149968295 FDBQPLAFEKIJDZ-LBPRGKRZSA-N 350.249 4.108 0 1 FIAF O=C(Nc1ccc(-c2ccc(NC(=O)c3ccco3)cn2)cc1)c1ccco1 169312963 RTXMIRNUBGYGGV-UHFFFAOYSA-N 373.368 4.439 0 1 FIAF CC[C@H](C)[C@@H](CO)NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 204415584 KWKOKGWQTHGXHH-SCLBCKFNSA-N 352.400 4.264 0 1 FIAF O=C1c2cc(Br)ccc2O[C@@H]2c3[nH]c4ccccc4c3CCN12 473094785 WDRMYDKQIKREMB-GOSISDBHSA-N 369.218 4.020 0 1 FIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccnc(Cl)c3[nH]2)c1 586916276 XLAWJSBSSXCDHH-UHFFFAOYSA-N 365.776 4.380 0 1 FIAF Cc1c(Br)cnc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc12 587015778 BBFIYIKSXITCOL-JTQLQIEISA-N 365.256 4.004 0 1 FIAF Cc1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1Br 587060016 YFDFERGMMONJEM-CQSZACIVSA-N 351.631 4.369 0 1 FIAF CC(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587168701 MRVSKJZQQNOTFD-UHFFFAOYSA-N 361.380 4.030 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)F)c(F)c1)O2 587383573 SSHBUHXYTJKGCW-OAHLLOKOSA-N 355.287 4.321 0 1 FIAF COC(=O)C[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525752 RVLQBVUAGNVQGU-HSZRJFAPSA-N 364.441 4.075 0 1 FIAF CCOC(=O)c1ccc2nc(COc3cccc(OCC(C)C)c3)[nH]c2c1 587566115 VZGNQQCSRICBGT-UHFFFAOYSA-N 368.433 4.353 0 1 FIAF CCO/C=C\[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587721359 PMXYRZSSKURETK-TVGAQUQFSA-N 364.205 4.133 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)C2(C)C)N1 587817084 HZBLDHLNGHSRBC-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2OCC3)N1 587837044 YYVCLSICRHXFLD-QGHHPUGFSA-N 362.242 4.147 0 1 FIAF COc1cccc([C@@H](C)Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587932988 XVOAPZLLDRYNCU-QMMMGPOBSA-N 370.762 4.332 0 1 FIAF Cc1cccc(N2CCN(Cc3ccccc3-c3ccnn3C)CC2)c1C 621476382 KDKGBQUPFSBXCQ-UHFFFAOYSA-N 360.505 4.026 0 1 FIAF COc1ccc([C@]2(Cc3cccc(F)c3)NCCc3c(C)ccnc32)cc1 963083526 CPSFJLOKEISMBN-QHCPKHFHSA-N 362.448 4.170 0 1 FIAF Cc1ccc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c(F)c1 1857572229 AHRDHDBNZVWQLM-HSZRJFAPSA-N 373.431 4.041 0 1 FIAF CN1C(=O)C[N@]2C(Cl)(Cl)[C@]2(c2ccccc2)c2cc(Cl)ccc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c1ccccc1-c1ccccc1 74388084 XHHMBKVTLCIYMW-QHCPKHFHSA-N 350.506 4.480 0 3 FIAF Cc1ccc(F)cc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 201474160 BRNKOHWVACZXSB-ZDUSSCGKSA-N 371.437 4.265 0 3 FIAF COC(=O)[C@H]1C[C@]2(C/C=C(\C)CCC=C(C)C)c3ccccc3N[C@H]2N1 205718211 NSBMZJHHFBDUDR-ZMWMSLCOSA-N 354.494 4.294 0 3 FIAF COc1ccc(CN2C(=O)[C@@H](n3c(C)ccc3C)c3cc(F)ccc32)cc1 206028843 UQGWBWHTVLKOHJ-NRFANRHFSA-N 364.420 4.389 0 3 FIAF CC(C)(C)c1cc(S(=O)(=O)O)c2oc(-c3ccccc3)cc(=O)c2c1 1646822 JKHUETDUPIETJJ-UHFFFAOYSA-N 358.415 4.004 0 1 FIAF Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CCCCC1)CC(=O)N2 3660392 KNTVQSSEFOTYHS-QFIPXVFZSA-N 362.473 4.445 0 1 FIAF COc1ccc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)cc1 13311944 QJSPPBAASCPSJB-UHFFFAOYSA-N 350.370 4.358 0 1 FIAF biogenic,in-vitro C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Cc1ccncc1)[C@@H]2O 13681733 HTDAGQQNWZEQOG-GSVDHGKISA-N 363.501 4.473 0 1 FIAF in-vivo Nc1ccc2cccc(OCCCNC(=O)Nc3cccc(Cl)c3)c2n1 28383214 OYPLJTKBROYZGQ-UHFFFAOYSA-N 370.840 4.061 0 1 FIAF CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(F)cccc1C(F)(F)F 40974888 ULFUJAQEYUFVSH-HOTGVXAUSA-N 355.331 4.083 0 1 FIAF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 64475030 SIIKMWIKTHGADB-KRWDZBQOSA-N 357.369 4.412 0 1 FIAF Cc1c(/C=C/c2cc3cc(C(=N)N)ccc3o2)oc2cc(C(=N)N)ccc12 66157456 SLDYOACYQUZGSX-QPJJXVBHSA-N 358.401 4.226 0 1 FIAF CCCCCC[S@@](=O)C[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101364298 DXUUKSQGPDLBMH-ZVVPARODSA-N 370.555 4.310 0 1 FIAF CS(=O)(=O)Nc1ccc(-c2cnccc2C2CC2)c(C(F)(F)F)c1 114027290 VGPPLDQBDHQDMK-UHFFFAOYSA-N 356.369 4.016 0 1 FIAF Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(CO)nc3)cc12 114711183 NHTCKFAORVDQCA-UHFFFAOYSA-N 370.478 4.051 0 1 FIAF O=C(NC1CCC(NCc2c[nH]c3ccccc23)CC1)c1ccc(F)cc1 169350911 KUHPLHLNZSKDDK-UHFFFAOYSA-N 365.452 4.138 0 1 FIAF COc1cc2cncc(Cc3coc4ccc(F)cc4c3=O)c2cc1OC 205657076 SOFMZSPVRSIXJL-UHFFFAOYSA-N 365.360 4.088 0 1 FIAF O=C1C[C@H](CCc2cccnc2)Oc2c(Br)cc(Cl)cc21 299841138 YDXRWQYUVIAKSB-LBPRGKRZSA-N 366.642 4.464 0 1 FIAF COc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1F 587005655 OTUPYJKUZSYYJV-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF COc1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587011855 DGSBNVTYBOTSKM-UHFFFAOYSA-N 350.241 4.335 0 1 FIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587050224 WNJDUMIHVZIAIJ-UHFFFAOYSA-N 353.813 4.354 0 1 FIAF COc1cc2nc(C(F)(Br)Br)[nH]c2cc1Cl 587087991 HQHPTKXQKZDNTD-UHFFFAOYSA-N 372.419 4.095 0 1 FIAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cnc4ccccc4c3[nH]2)n1 587117883 JQYLGPWCTJDGDR-UHFFFAOYSA-N 357.339 4.252 0 1 FIAF COc1nccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587149563 IAYKSVPYKRLXEC-GOSISDBHSA-N 367.355 4.413 0 1 FIAF Cc1c(Br)ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c12 587164164 RNCQAUIEALZOQS-MRXNPFEDSA-N 362.246 4.424 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncc3nc(C(C)(C)C)oc13)O2 587394540 HAZVQWNVPFSNHO-MRXNPFEDSA-N 351.406 4.117 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1CO[C@@H]1CCCCO1)O2 587407566 CPZFSNHWSOYXKG-LEWJYISDSA-N 367.445 4.327 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)cc1Cl)[C@@H](C2)C3=O 587418032 GPHLXQHQEFNZJB-KKSFZXQISA-N 369.848 4.438 0 1 FIAF Cc1ccc(Cn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nn2)cc1 587517582 PXKFIEAQLPWQCS-JOCHJYFZSA-N 373.456 4.220 0 1 FIAF CC(=O)COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523770 PMCSXQTYNYYATO-OAQYLSRUSA-N 350.414 4.240 0 1 FIAF Cc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCCO2 587535557 KTMBRQMYIPKLCF-LJQANCHMSA-N 350.414 4.352 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(C(C)(C)C)c2)N1 587761443 UIIJNCCVPMNNLZ-HWPZZCPQSA-N 366.278 4.163 0 1 FIAF Cc1cccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587769465 GGXZQIDSHCAANU-KZULUSFZSA-N 363.274 4.284 0 1 FIAF CCOc1ccnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587769488 GIJMRFZDAPRPAJ-QGHHPUGFSA-N 365.246 4.006 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccncc23)N1 587801483 GXUSALRYIYCECB-HUTHGQBESA-N 360.230 4.088 0 1 FIAF Cc1cc(O)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587835726 XRZPBCIIPCKFMC-BTDLBPIBSA-N 350.231 4.226 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(=O)OC)ccc1C 587872414 XMTOSSQBASUVFZ-UHFFFAOYSA-N 354.381 4.172 0 1 FIAF COc1ccc2c(c1)[C@H]([C@H]1CCCN1C(=O)OC(C)(C)C)N(C(C)C)CC2 962095493 ZFDBMVGAEHDYHN-WOJBJXKFSA-N 374.525 4.402 0 1 FIAF COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3n2CCOCC3)ccc1C 1772612634 LDKBGYQSQSCXNB-UHFFFAOYSA-N 363.461 4.119 0 1 FIAF Fc1ccc(-c2n[nH]c3cc(NC4CCN(CC5CC5)CC4)cnc23)cc1 1857628572 MZBAUWHFVTWOCF-UHFFFAOYSA-N 365.456 4.050 0 1 FIAF O=c1c2cc(Cl)ccc2ncn1Cc1csc(/C=C/c2ccco2)n1 2382218899 QHXNMUMFXXJUKB-GQCTYLIASA-N 369.833 4.318 0 1 FIAF O=C1c2ccccc2[C@@H](Nc2ccc3c(c2)OCCO3)N1Cc1ccccc1 4960478 FSNCVOSWFWHNFL-QFIPXVFZSA-N 372.424 4.225 0 3 FIAF CC1(C)Cc2c(sc3nc(=S)n(Cc4ccccc4)c(O)c23)CO1 239433374 XPDBGUPLSPKXPM-UHFFFAOYSA-N 358.488 4.432 0 3 FIAF C=CC(=O)Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1 1488274 YGFCGWOZJQMOOG-UHFFFAOYSA-N 369.222 4.260 0 1 FIAF COc1ccc2sc3c(c2c1)N(Cc1ccccc1Cl)CCNC3=O 3647054 JQHWBJCSGHHAOJ-UHFFFAOYSA-N 372.877 4.313 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccccc1 4152638 AIOKMVNCPJIMSZ-TZIWHRDSSA-N 366.461 4.093 0 1 FIAF C[C@H]1CCCCN1c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 6750589 BBBMRRQYOKOGDC-JTQLQIEISA-N 351.863 4.214 0 1 FIAF COc1cc(CCCOC(C)=O)cc2cc(-c3ccc4c(c3)OCO4)oc12 12153383 KOUYRIXNPBTZIN-UHFFFAOYSA-N 368.385 4.333 0 1 FIAF biogenic,in-vitro COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(-c4c[nH]cn4)cc3)c1C2 28954379 VYOZQJJOPAZQKH-UHFFFAOYSA-N 358.401 4.055 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 29322038 IWSCITFBDCQRGG-XDTOGUJOSA-N 350.499 4.479 0 1 FIAF COc1ccc(/C=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)cc1 29485710 REYBNWBLZHXGFK-GHYOJJGLSA-N 350.462 4.187 0 1 FIAF O[C@]1(Cc2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc2C2=NCCN21 34821414 UKUPAGWAVJKRQW-QGZVFWFLSA-N 367.663 4.110 0 1 FIAF Nc1ncccc1-c1cc(Cc2ccc(OCc3ccccc3)cc2)no1 34962217 COQNWQUUKPZYHY-UHFFFAOYSA-N 357.413 4.489 0 1 FIAF CCCCOC(=O)c1cc(/C=C/c2ccnc3ccc(OC)cc23)on1 45245625 GRSWBKWURORVSC-AATRIKPKSA-N 352.390 4.359 0 1 FIAF O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1COCc1ccccc1 66074366 YDFGOBGLNCXTEF-NRFANRHFSA-N 356.425 4.062 0 1 FIAF CCOc1cccc(-c2nc(Cn3cc(CCN)c4ccccc43)co2)c1 72186230 BQUUBHAGWILXJL-UHFFFAOYSA-N 361.445 4.245 0 1 FIAF CCCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(F)cc2)n1 82136284 FCRBMWQKHLYYOE-UHFFFAOYSA-N 358.461 4.223 0 1 FIAF Cc1noc(C)c1COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 101641085 CMYCIQGOXFZHBA-SCQRFTTHSA-N 368.271 4.069 0 1 FIAF Cc1nc2ccc(F)c(-c3cc4c(=O)[nH]ccc4[nH]3)c2nc1NC(C)(C)C 222332457 XKEPASMYHMOCPP-UHFFFAOYSA-N 365.412 4.124 0 1 FIAF c1c(Nc2nc(N3CCCCCCC3)nc3c2CCC3)n[nH]c1C1CC1 299871888 ZJNPFIHXTPRFAO-UHFFFAOYSA-N 352.486 4.080 0 1 FIAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 586922455 NLPBJQFFDXLCHW-UHFFFAOYSA-N 369.273 4.254 0 1 FIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(C(F)(F)F)c2[nH]1 587173943 DKLJQRDPLYTWDR-ZDUSSCGKSA-N 362.330 4.445 0 1 FIAF CCOC(=O)CNc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 587227417 MGUKWVACIWYZCH-UHFFFAOYSA-N 363.339 4.224 0 1 FIAF CC(C)(C)[C@H](N)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587257650 IOFVXLPFLGRRIK-SNVBAGLBSA-N 366.181 4.270 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(=C/N(C)C)c1ccc(Cl)cc1)O2 587378365 NVKSIUZZLALVTN-KZIRBZLESA-N 356.853 4.167 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(NC(=O)OC(C)(C)C)nc1)O2 587388377 BIOPTSOYMGACQN-MRXNPFEDSA-N 369.421 4.026 0 1 FIAF CCn1cc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 587390272 LRQFQTVGQRJALY-QFIPXVFZSA-N 361.445 4.011 0 1 FIAF COc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444117 SFWZFMORIRBYEU-YKSBVNFPSA-N 372.420 4.395 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccn(C)n3)c1)CC2=O 587474118 BIYIGLXJQNPFEU-NRFANRHFSA-N 362.429 4.452 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCC(F)(F)F 587547481 LOWWQELJQIALOP-HIFRSBDPSA-N 352.308 4.455 0 1 FIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587553812 HLICDMOCVXCPEC-RXVVDRJESA-N 366.344 4.243 0 1 FIAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)o1 587616881 NKTNAEXUHVUFCV-GHTZIAJQSA-N 350.370 4.479 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(CN(C)C)CCCC2)N1 587739955 IVOFZXNXMNBLAZ-SJKOYZFVSA-N 369.322 4.286 0 1 FIAF CCCn1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587762105 DHUDNOMHYRWILU-BTDLBPIBSA-N 366.278 4.127 0 1 FIAF Cc1[nH]c2ncccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587803463 PZVVZYABODSTGS-VVVCHXIZSA-N 374.257 4.397 0 1 FIAF Cc1ccc(O)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587833494 NXCGNLVNJFWQRK-BTDLBPIBSA-N 350.231 4.226 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3occc32)N1 587834774 SQPHILGWVFWFGO-QGHHPUGFSA-N 350.231 4.295 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2nc(Br)c[nH]c-2n1 587950999 FYTJJCJZOYXPCY-AXFHLTTASA-N 353.264 4.113 0 1 FIAF CC(C)c1cccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)c1 621430206 MHIDFHJJCQYAMA-OAQYLSRUSA-N 363.457 4.403 0 1 FIAF O=C1[C@@H]2C=CC=C[C@@H]2[C@H](c2cc(F)cc(F)c2)N1c1ccc2nc[nH]c2c1 1772611410 VNSIXYYNRQNFCG-QKLQHJQFSA-N 363.367 4.287 0 1 FIAF CO[C@@H]1C=C(CC[C@]2(C)[C@H](C(=O)O)CC[C@@]3(C)C(C)=CCC[C@H]23)C(=O)O1 2356733381 RBOVBGSBFUZCEO-YRJWVXGYSA-N 362.466 4.086 0 1 FIAF COc1cc(CN2CCN([C@H]3CC[C@@H](C(C)(C)C)CC3)CC2)ccc1O 2382228059 QVHBVDBXNHUCSR-KDURUIRLSA-N 360.542 4.123 0 1 FIAF CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccsc3)ccc21 2382250271 GMEPSDDJIZYOME-UHFFFAOYSA-N 356.491 4.003 0 1 FIAF Cc1noc2nc(-c3cccs3)cc(-c3nnc4n3CCCCC4)c12 2659886 GMIDSWYHKMBWJE-UHFFFAOYSA-N 351.435 4.245 0 3 FIAF Cn1cc([C@]2(O)C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21 95567831 MPWGEGJNTZBVTN-QHCPKHFHSA-N 354.409 4.093 0 3 FIAF CCc1nc(-c2cc(C)c(OCCCc3cc(COC)no3)c(C)c2)no1 1535253 MBVOPSXUGCUXFJ-UHFFFAOYSA-N 371.437 4.062 0 1 FIAF CCOc1ccc(Nc2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1 2479222 YDLIJUFGIPCGRH-KRWDZBQOSA-N 364.449 4.363 0 3 FIAF CN1CCN(c2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)CC1 2701525 OLPKXXCSCHAUBL-UHFFFAOYSA-N 370.456 4.309 0 1 FIAF CN[C@H]1CC[C@@H](N2CCc3ccc(NC(=N)c4cccs4)cc32)CC1 101472611 HGVUTNMCDMGTOE-JCNLHEQBSA-N 354.523 4.079 0 1 FIAF COc1ccc(OC(=O)[C@H]2[C@@H]3CC[C@@H](C[C@H]2c2ccc(C)cc2)N3C)cc1 100728368 IUPUVKOJONOTAC-AGOPTVSRSA-N 365.473 4.176 0 1 FIAF CCCCOC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl 103272161 FTYDTPAPGJGSTL-UHFFFAOYSA-N 361.825 4.041 0 1 FIAF CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc2sccc2c1 61904723 DXMDOFXGSSXLCV-FQEVSTJZSA-N 358.507 4.202 0 3 FIAF CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](O)CO 32840908 YICVZGXPPMTJCG-LIYQNMAISA-N 350.499 4.248 0 1 FIAF endogenous,in-man CCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2)n1 82133172 RTMNGWCWGNSQSB-IRXDYDNUSA-N 366.509 4.474 0 1 FIAF C[C@@]12CCC[C@@H]3C[C@@]([C@H]4CCC[C@@H](Cc5ccc(N)nc5)C4)(C[C@H](N)[C@@H]31)O2 85543286 AYQIYMYUYUADHZ-NGQOLSHVSA-N 369.553 4.078 0 1 FIAF biogenic,in-vitro Cn1cc(-c2cc(C(=O)O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O 146671810 FIMDIPNIURCNGB-UHFFFAOYSA-N 360.369 4.024 0 1 FIAF COc1cc(NCCCN)c2nccc(C)c2c1Oc1cccc(F)c1 299837722 KMFPOALJNSFVLL-UHFFFAOYSA-N 355.413 4.244 0 1 FIAF CON1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@@H]1c1cccc(O)c1 653869281 WFVCDMQYDODBGI-AKIFATBCSA-N 372.424 4.465 0 1 FIAF CO[C@@H]1[C@H](C)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C 587356544 QUUWJSNLRVXYNJ-AGNABFBISA-N 370.420 4.320 0 1 FIAF CC[C@@]1(c2nccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587851096 AEPRWFBITGKQCI-BJOHPYRUSA-N 355.276 4.233 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(O)cc2F)N1 587721954 XFCPDYMHSKNDCR-GYKQLYQFSA-N 372.184 4.196 0 1 FIAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccccc2)c1O 587946554 WHOWDKJEBWAZMR-INIZCTEOSA-N 360.316 4.189 0 1 FIAF CCOc1ccc(OCC)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587439341 ABVLYALLNVQQDK-VGSWGCGISA-N 368.429 4.155 0 1 FIAF CC(=O)Nc1ccc2c(c1)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511326 JXWDUZOWFBUISW-HSZRJFAPSA-N 361.441 4.331 0 1 FIAF COc1ccccc1CC(=O)c1nc2c(C)c(C)c(Br)cc2[nH]1 587929505 KIUNVJLGTVHHHP-UHFFFAOYSA-N 373.250 4.376 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(CC)cc1 587870301 DQRVBKALNBKTRL-UHFFFAOYSA-N 368.408 4.370 0 1 FIAF Cc1cccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n[nH]c12 587792269 HQEVFVHCHWSBHT-BTDLBPIBSA-N 374.257 4.397 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052519 DJBFRQYTFPIFTQ-UHFFFAOYSA-N 371.849 4.078 0 1 FIAF CC1(C)CC(=O)C(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C1 587521831 DIGQMLOAHOSSCH-QHCPKHFHSA-N 368.473 4.254 0 1 FIAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1cccc2ccccc12 587653677 DFRIGOUWWIQLNW-UHFFFAOYSA-N 365.845 4.448 0 1 FIAF Cc1c[nH]c2c1[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587804484 RCDDBTBLQAVPEJ-ZMZPIMSZSA-N 363.274 4.339 0 1 FIAF COCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523656 OFCXNLUQKUMSJO-OAQYLSRUSA-N 352.430 4.297 0 1 FIAF CC(C)[C@@H]1C[C@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587833472 NHTLEMZBBWNOJF-WHCBVINPSA-N 356.279 4.153 0 1 FIAF COc1c(F)cc(F)c([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1F 963117461 WSYLPNXDLUVVBJ-VOJFVSQTSA-N 351.343 4.362 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccccc1)C(F)(F)Cl 963045481 GEXJAQOXTLFFBQ-LJQANCHMSA-N 374.818 4.464 0 1 FIAF O=c1c2cnc3cc(OCc4ccccc4)ccc3c2[nH]n1-c1ccccc1 13740700 NMUDIPITESHDMI-UHFFFAOYSA-N 367.408 4.446 0 1 FIAF COC(=O)C[C@H](Sc1nc2ccccc2[nH]1)C(=O)c1ccc(Cl)cc1 169335490 HUPNVHDGKCDLFZ-HNNXBMFYSA-N 374.849 4.123 0 1 FIAF O=Cc1ccc(OCc2nnc(-c3cc4c(cn3)[nH]c3ccccc34)o2)cc1 1857631033 SYLVQTMTBFTKJV-UHFFFAOYSA-N 370.368 4.158 0 1 FIAF COc1ccc([C@H](C)C(=O)c2ccc(N3CCCC3)cc2OC)cc1OC 1857753846 OIDMAIVMDMYADI-HNNXBMFYSA-N 369.461 4.299 0 1 FIAF CCc1nnc(SCC(=O)Nc2ccccc2)c2cc3sccc3n12 1857758260 ZFPQEDIKXIZBHH-UHFFFAOYSA-N 368.487 4.237 0 1 FIAF CCN(CC)c1ccc2cc(C3=NN[C@@H](c4ccccc4)C3)c(=O)oc2c1 1857759561 GGLXANLCYJRDTG-LJQANCHMSA-N 361.445 4.078 0 1 FIAF C=C[C@](C)(O)CC[C@]1(C)C2=C([C@H](O)[C@@H](OC(C)=O)[C@H]1C)C(C)(C)CCC2 15266502 XKQBKQUOQCQQBX-ZLICUJJFSA-N 364.526 4.159 0 1 FIAF biogenic CN(C(=O)Cc1c(Cl)cccc1Cl)[C@H]1CCCC[C@@H]1N1CCCC1 26837809 FYKYWEMMAMBGMQ-ROUUACIJSA-N 369.336 4.401 0 1 FIAF CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc1 27417541 PFGOEZNEZWUAPO-UHFFFAOYSA-N 374.506 4.432 0 1 FIAF CCC(=O)[C@H](c1ccc(O)cc1)C1CCN(CCc2ccccc2)CC1 27859851 YEPBUCSLPCXDGL-HSZRJFAPSA-N 351.490 4.410 0 1 FIAF CCC/C=C/C=C/C=C/CCCOC[C@H](CO)OC(=O)c1ccc(O)cc1 34285701 HDFSCPGSKMWCOJ-JUZBPIOXSA-N 374.477 4.175 0 1 FIAF Cc1cc(OC(C)C)ccc1C(=O)Nc1ccc2sc(CO)nc2c1 35858461 MECQGLMDNYLKGI-UHFFFAOYSA-N 356.447 4.137 0 1 FIAF Cc1ccc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)cc1 64637937 SMWLZUPIFSAOOV-GOSISDBHSA-N 352.434 4.300 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]21C 85993552 IEAUFJOLHRNYMW-BMCMLLRISA-N 364.526 4.015 0 1 FIAF in-man CC(C)(C)Nc1c(-c2c(F)cc(F)cc2F)c(F)nc2nccnc12 103171123 STCBAXFBOINVFI-UHFFFAOYSA-N 350.319 4.459 0 1 FIAF Cc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1Cl 103266650 WYVGTVJHYRLPIO-UHFFFAOYSA-N 365.764 4.049 0 1 FIAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(Oc2ccc(Cl)cc2)CC1 103269139 HZWXXLBIQQTMLD-UXHICEINSA-N 370.880 4.449 0 1 FIAF Cc1cc2ncc(-c3cccc(NC(=O)NCC(F)(F)F)c3)n2cc1C 139536323 RPXLWISPHFODGH-UHFFFAOYSA-N 362.355 4.302 0 1 FIAF COc1nc(-c2ccccc2Cl)cc2cnc(NC(=O)C3CC3)cc12 144378427 VFXBZYUJHDYFJV-UHFFFAOYSA-N 353.809 4.307 0 1 FIAF Cc1cc(C)c(CNC(=O)c2ccc([C@H](C)c3ccccc3)cc2)c(O)n1 146975197 KPGCNDYXBLQTHL-QGZVFWFLSA-N 360.457 4.486 0 1 FIAF CC1(C)CC(=O)[C@@H]2C(=Nc3nc4c(c(N)c3[C@H]2c2ccncc2)CCCC4)C1 169720991 NEJAUGQGKHCLHV-OALUTQOASA-N 374.488 4.161 0 1 FIAF Cc1cc2c(Br)ccc(-c3nc4cccc(C(N)=O)c4[nH]3)c2o1 587004352 RMJIXHNKTIATDP-UHFFFAOYSA-N 370.206 4.146 0 1 FIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(C(C)(C)C)nc2[nH]1 587116311 CNHZDCYQQKCXPI-UHFFFAOYSA-N 357.767 4.328 0 1 FIAF Nc1c(F)c(F)cc(-c2nc3ccc(F)c(Br)c3[nH]2)c1F 587136073 BIWZTVNPQCABHC-UHFFFAOYSA-N 360.108 4.131 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cc(OC(C)(C)C)c(F)cc3N)nc2c1 587136326 NOBXNKBVRQJVFI-UHFFFAOYSA-N 359.401 4.146 0 1 FIAF Cc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1F 587160547 DDHXPFMZJQIODE-UHFFFAOYSA-N 359.767 4.110 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1C[C@@H](C(=O)O)C[C@H]31 587205716 CZPVPMSYPWTWCH-OZVIIMIRSA-N 355.393 4.197 0 1 FIAF C[C@@H]1CCC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587353841 PEKRZBNCWQIBBD-NWXLUKJOSA-N 354.377 4.018 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O 587420271 ICPNXYXSHLEIAG-XOBRGWDASA-N 353.805 4.493 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCc4c1[nH]c1ccc(Cl)cc41)[C@@H](C2)C3=O 587424198 XQZZYOAGVVGUAJ-BTYIYWSLSA-N 365.816 4.419 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(C)cc1)CC2=O 587485525 XIAKFPOJNZDDQP-QFIPXVFZSA-N 368.429 4.077 0 1 FIAF CCn1cnc(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587707216 UWWGWPUGQYBZAP-SDBXPKJASA-N 372.669 4.082 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2F)N1 587720693 TZEGXENAXDEKFF-VPTHRUTESA-N 356.185 4.490 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc3cnccc23)N1 587776793 DMYRWFNLZRSYCQ-YPMLDQLKSA-N 372.241 4.155 0 1 FIAF COc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)c(OC)c1C 587786058 BTKBUFAZNGKQJW-UHFFFAOYSA-N 365.202 4.457 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3[nH]2)N1 587801464 GRIKJWSWUHUELT-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF CCOC(=O)c1ccc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 587926769 PECICYOYHARPGA-CYBMUJFWSA-N 368.433 4.103 0 1 FIAF Cc1c(Br)cc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1C 587962682 VSCWCIYAQJORRP-UHFFFAOYSA-N 373.250 4.160 0 1 FIAF Cc1c(F)ccc2c1[C@@](C[C@@H](C)C(=O)O)(c1ccc(Cl)cc1)NCC2 962095838 XSPUBMXUIVMQPB-MPBGBICISA-N 361.844 4.288 0 1 FIAF C[C@@]1(c2cnc3cccnc3c2)c2ccsc2CCN1Cc1cccnc1 963011900 OVENQDCUWIVPHT-JOCHJYFZSA-N 372.497 4.408 0 1 FIAF CC[C@@]1(c2ccc(Cl)c(N)c2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963581769 OUYOUACBFWYSQQ-ODXCJYRJSA-N 360.885 4.127 0 1 FIAF COc1ccc2[nH]cc(CCNCc3ccc(-c4cccc(O)c4)o3)c2c1 1857534947 NKHBMDXLAKMZHD-UHFFFAOYSA-N 362.429 4.474 0 1 FIAF Cc1nn2c(=O)cc(-c3ccc(F)cc3)[nH]c2c1-c1ccc(Cl)cc1 1857589080 KFXVSMZLHJIURU-UHFFFAOYSA-N 353.784 4.458 0 1 FIAF COc1ccc(-c2nc(CN(C)[C@@H](C)c3ccon3)c(C)o2)c(C)c1C 13593531 WWTBGDHHAMEQDE-AWEZNQCLSA-N 355.438 4.456 0 3 FIAF COc1cccc(NC(=O)[C@@]2(C)CCN2Cc2ccc(SC)cc2)c1 61905929 XAFVFFNAGXNBOD-HXUWFJFHSA-N 356.491 4.020 0 3 FIAF COc1cc2c(cc1O)O[C@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@@H]21 14819654 CVUYVQZALVRDIK-BTYIYWSLSA-N 354.402 4.225 0 1 FIAF biogenic COCOc1ccc2c(c1)[C@@H]1OC(=O)O[C@]13CCC(C)=C(COC2)C3(C)C 28521242 HZEWWHWJWXZJFT-GHTZIAJQSA-N 374.433 4.283 0 1 FIAF CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2[C@@H]1O3 29567639 GVRIVFLIGBHYRA-NRFANRHFSA-N 362.429 4.102 0 1 FIAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/N3CCCC3)C[C@H]12 38150997 BLPWZFDTYUVONX-NAAZHFNVSA-N 369.549 4.469 0 1 FIAF CCc1c(Sc2cc(C)cc(C)c2)n(CC2CCCC2)c(=O)[nH]c1=O 42964856 DGPHZPWHJQRFAV-UHFFFAOYSA-N 358.507 4.057 0 1 FIAF CN(C)c1cccc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)c1 45484769 ODNIVPPJGAHLKV-UHFFFAOYSA-N 358.401 4.208 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[C@@H](C)[C@H](C)C2=O 45495123 AQILVQJBVWGDOL-JOOBJXAISA-N 354.402 4.033 0 1 FIAF biogenic,in-vitro CN1CCC[C@H]1CCNCc1coc(-c2ccc(OC3CCCC3)cc2)n1 72180641 KCKPNHWNQMLTHD-IBGZPJMESA-N 369.509 4.237 0 1 FIAF O=C(C[C@@H](SC(=S)N1CCOCC1)c1ccccc1)c1ccccc1 84596792 OJVMSXSOQMQEPM-LJQANCHMSA-N 371.527 4.351 0 1 FIAF Cc1ccnc(NC(=S)N2CCc3cc(C(F)(F)F)ccc3C2)c1 95564916 FHWZXFUJQRVROH-UHFFFAOYSA-N 351.397 4.164 0 1 FIAF CCc1ccnc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1 96938958 KVHXWHWQVXJKNK-UHFFFAOYSA-N 354.797 4.132 0 1 FIAF CCCC[C@H](O)CSC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101364533 HUOIPUKSNAXOPY-NIBMFCHMSA-N 370.555 4.266 0 1 FIAF CCc1nnc2sc(-c3c[nH]nc3-c3ccc(Cl)cc3Cl)nn12 103206444 BOVPOCJTZWTFMC-UHFFFAOYSA-N 365.249 4.112 0 1 FIAF CC(=O)Nc1ccc(CN2CCC[C@@H](Nc3cccc4cnccc34)C2)cc1 114031567 LBXZGQULVZGSNR-OAQYLSRUSA-N 374.488 4.270 0 1 FIAF Cn1cc([C@@H]2c3ccc(Cl)cc3C=Cc3scnc32)c(=S)[nH]c1=O 139311664 ZDHQVQVNOIWLNX-AWEZNQCLSA-N 373.890 4.217 0 1 FIAF in-vitro Cn1cc(-c2cc(-c3cccnc3)ccc2OCC2CC2)c2cc[nH]c2c1=O 146406547 FITRCCRSCRRBRL-UHFFFAOYSA-N 371.440 4.384 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H](OCC)[C@@H](O)CCCCCCCC(=O)O 231929905 BHDZXVBBVBHNKG-HLMIDSFGSA-N 358.519 4.065 0 1 FIAF CO[C@@H]1C=C(CCC[C@@H](C)/C=C/[C@H]2C(C)(C)CCC[C@]2(C)O)C(=O)O1 238748272 GDBZCCRSKXSHMI-UCZJKEKOSA-N 350.499 4.382 0 1 FIAF Nc1c(-c2nc3cc(F)cnc3[nH]2)sc2cc(Br)ccc12 587031009 KQESWPOKFPEJNE-UHFFFAOYSA-N 363.215 4.323 0 1 FIAF Cc1c(-c2nc3cc4c(cc3[nH]2)OCO4)cnn1-c1ccc(Cl)cc1 587075915 ONPOIBIPRGMVNM-UHFFFAOYSA-N 352.781 4.106 0 1 FIAF C[C@@H](c1nc2cc(F)cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128581 BRMUKDHWZHOCRN-BYPYZUCNSA-N 365.693 4.431 0 1 FIAF COc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1OC 587136147 KIPHLHAVQBNHAA-UHFFFAOYSA-N 359.401 4.146 0 1 FIAF CCN(CC)Cc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587384982 ASLOCTCCHWTMIU-OAQYLSRUSA-N 368.477 4.134 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC)c(N)c1)CC2=O 587473657 YUWNSDWJMXKHNO-NRFANRHFSA-N 355.434 4.206 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C3(C)COC3)cc1)CC2=O 587493826 WHRZGUWIVYXDGQ-HXUWFJFHSA-N 352.430 4.339 0 1 FIAF O=C1C[C@@]2(CCC(=O)N3CCc4cccc2c43)Oc2c1ccc1c2CCCC1 587525080 MBAJDTJUKVJLLS-XMMPIXPASA-N 373.452 4.109 0 1 FIAF CCCCn1nccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578827 BGFUZZXIMCLTST-WIYYLYMNSA-N 364.401 4.092 0 1 FIAF COc1ccc(OC)c(-c2nc3ccc(Br)cc3[nH]2)c1OC 587799368 YFCJXHDWGGROOR-UHFFFAOYSA-N 363.211 4.018 0 1 FIAF CCCCCC[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587826815 JJPPPAZAWVSBHU-APPDUMDISA-N 372.278 4.373 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(O)ccc32)N1 587831575 ICJDMNSXWNLJFQ-YPMLDQLKSA-N 362.242 4.018 0 1 FIAF CC1=C(c2ccc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c3c2)NNC(=O)C1 587966628 JXRFUQPOSQUGLN-UHFFFAOYSA-N 374.488 4.158 0 1 FIAF Cc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Br 587969293 KZNLUMZMFXWIME-DIPXRFRJSA-N 359.267 4.281 0 1 FIAF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1cc[nH]c1)N(C)[C@H](C)C2 962574995 VDMHAZWIIJOLMV-WAIKUNEKSA-N 362.473 4.200 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cccc(-c2ccccn2)c1 963604943 GCPJDZARCHSGNE-CMJOXMDJSA-N 360.457 4.389 0 1 FIAF Cc1ncoc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963830472 AZYXMSJVZMRXQH-NRFANRHFSA-N 359.429 4.278 0 1 FIAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@@H]1CC=CCCCC(=O)OC 2356376483 TWECVLQAVWUYGO-GBESFXJTSA-N 350.499 4.369 0 1 FIAF C=CC(=CC(=COC)OC)[C@H](O)[C@H](C)Oc1ccc(C=CC)cc1OC 2356474969 KZJSYJDWHQFBFZ-YCRPNKLZSA-N 360.450 4.103 0 1 FIAF CCOC(=O)CSc1nc2cccnc2n1-c1cccc2ccccc12 2382224946 GHRKTCJCNUTEAI-UHFFFAOYSA-N 363.442 4.229 0 1 FIAF O=c1cc(-c2ccccc2)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12 100487496 OOAHQJLYDSAULT-UHFFFAOYSA-N 355.319 4.375 0 3 FIAF CC(C)Oc1c(-c2ccc(F)cc2)c(O)c2c3c1oc(=O)n3C=C[C@@H]2C 1650069 LVPNVIISRGWEEU-NSHDSACASA-N 355.365 4.481 0 1 FIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CN1CC=CCC1 3795671 ADAPJJJJIQWICU-MRXNPFEDSA-N 367.320 4.179 0 1 FIAF CC[C@H](CO)Nc1cc(-c2[nH]c(SC)nc2-c2ccc(F)cc2)ccn1 40936058 MVGCHYPFKGXJLN-OAHLLOKOSA-N 372.469 4.183 0 1 FIAF Cc1ccccc1CC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 71296579 RVGBNALSIXWKMJ-UHFFFAOYSA-N 367.474 4.055 0 1 FIAF CC(=O)Nc1nc2ccc(-c3ccnc(Cc4ccccc4)n3)cc2s1 71296625 GAIUSUOTDDXAJO-UHFFFAOYSA-N 360.442 4.303 0 1 FIAF CCOc1ccc(-c2nc(CNCCCN(C)c3ccccc3)co2)cc1 72100981 DJHAQJJXCPPZAQ-UHFFFAOYSA-N 365.477 4.356 0 1 FIAF CCOc1ccc(-n2nc3c(C)nnc(NCc4ccccc4)c3c2C)cc1 84731968 IFIRTHBPZWZTIS-UHFFFAOYSA-N 373.460 4.443 0 1 FIAF C[C@@H]1CC[C@@H]2CC3=C(C(=O)O)CC[C@@]31[C@]2(C)CNC(=N)NC1CCCCC1 85549124 DKLWFBLWXKNSOB-ROFQSWJRSA-N 373.541 4.051 0 1 FIAF biogenic,in-vitro O=C(CC[C@H]1CCC(=O)[C@H]1CCCCCCCO)COc1ccccc1 95564789 CQGDJYVHVNYIMQ-RXVVDRJESA-N 360.494 4.343 0 1 FIAF in-man C[C@@H]1Oc2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)ccc2NC1=O 96274152 IOEFGYJFRPPBNM-AWEZNQCLSA-N 368.864 4.349 0 1 FIAF O=c1[nH]c(O)c(Cc2ccc(Oc3cc4ccccc4cn3)cc2)s1 169722716 ACNDVDAOPITCDS-UHFFFAOYSA-N 350.399 4.073 0 1 FIAF O=C(O)c1cnc2c(Cl)nn(Cc3c(Cl)cccc3Cl)c2c1 203425277 QUODMFUSKPAJBO-UHFFFAOYSA-N 356.596 4.138 0 1 FIAF CSc1cccc(N=c2[nH]c(-c3cccc(OCC(=O)O)c3)cs2)c1 473090693 XDYDSIIVNKUYSH-UHFFFAOYSA-N 372.471 4.161 0 1 FIAF COC(=O)C1(c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)CCC1 586993208 UWQIFQDXTLNZPV-UHFFFAOYSA-N 373.408 4.055 0 1 FIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587070117 PVLOQOYXGASZEU-SECBINFHSA-N 354.797 4.175 0 1 FIAF COc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2n1 587137712 HPGUKCLFJJDIMX-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF O=C(/C=C\c1nc2c(Cl)c(Cl)cnc2[nH]1)Nc1ccc(F)cc1 587167200 PGFYSLUGYJHTGT-WAYWQWQTSA-N 351.168 4.056 0 1 FIAF C[C@@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173604 GDJZPGVYBPQBAN-KRWDZBQOSA-N 366.726 4.262 0 1 FIAF Fc1cc2[nH]c(Cc3c(F)cncc3Cl)nc2cc1Br 587176592 XEPJJSCOFHNQFA-UHFFFAOYSA-N 358.573 4.243 0 1 FIAF Nc1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1CC(=O)O 587248878 AKPVQZDFTCJTAF-UHFFFAOYSA-N 369.730 4.111 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)cnc1Cl)O2 587383182 RLBLUVRGTOTHLT-CYBMUJFWSA-N 356.731 4.351 0 1 FIAF CC[C@@H]1c2cc(OC)ccc2CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443758 RRFNEIFHTIKPKW-DNVFCKCGSA-N 364.441 4.330 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(CCC(=O)O)oc1C)CC2=O 587485998 WJDKOMMEIKGVNE-OAQYLSRUSA-N 372.417 4.144 0 1 FIAF CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C)C1 587524375 NGLRRWLESLRZAM-YGHRGLEHSA-N 356.462 4.269 0 1 FIAF COc1cc(C)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596936 XKZMOJJLRZBWCK-SIKLNZKXSA-N 362.381 4.412 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1ccccc12 587612900 WLBLYRVJAHLJFP-OFNKIYASSA-N 374.392 4.422 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(C2CC2)n1 587615083 VKFMEZUAEJTFEP-QFBILLFUSA-N 365.410 4.429 0 1 FIAF Cc1nn(C(C)C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587763914 NILZVQXMJWLTRC-DYZYQPBXSA-N 366.278 4.298 0 1 FIAF CC(C)[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587768988 FRNGFPWLHRHJDU-SGTLLEGYSA-N 363.274 4.417 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccccc3n2)N1 587779660 VHKSWRRYEGJRGW-YPMLDQLKSA-N 372.241 4.155 0 1 FIAF C[C@H]1CC(C)(C)CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822685 LYFXRHUQKVUWLC-PISHQANHSA-N 368.290 4.343 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1CCCO[C@@H]1C2(C)C 587840959 LABVDNSERCBRTI-BGKXCIEUSA-N 368.290 4.153 0 1 FIAF COc1ccc(OC(C)(C)C)n1NCc1ccccc1Br 587940300 JBRMCORUBISULN-UHFFFAOYSA-N 353.260 4.180 0 1 FIAF Brc1c[nH]c2nc(Cc3ccccc3-c3ccccc3)nc-2n1 587959791 VYJLZHCUWSRORH-UHFFFAOYSA-N 365.234 4.325 0 1 FIAF O=C(O)CCC[C@@]1(c2c(F)cccc2F)NCCc2cc(Cl)ccc21 963389506 BBRWXODJRONITO-LJQANCHMSA-N 365.807 4.262 0 1 FIAF COc1c(CC=C(C)C)cc(C=CC(=O)O)cc1CC=C(C)COC(C)=O 2356382565 FXYBEMLBGFMRJR-UHFFFAOYSA-N 372.461 4.354 0 1 FIAF COc1cccc(NC(=O)[C@]2(C)CCN2Cc2ccc(SC)cc2)c1 61905930 XAFVFFNAGXNBOD-FQEVSTJZSA-N 356.491 4.020 0 3 FIAF Cc1ccc(N2C(=S)N(C(=O)OC(C)C)C(=O)C23CCCCC3)cc1 95872971 XRDDZPFOUJWNDG-UHFFFAOYSA-N 360.479 4.176 0 3 FIAF COc1ccc(Oc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1 1663403 LZKMWNMQYDZUOZ-UHFFFAOYSA-N 358.401 4.262 0 1 FIAF COc1ccc2c(c1)C[C@H](CCN1CCN(c3ccccc3)CC1)CC2 13760545 VHTJFANFSJSTEZ-IBGZPJMESA-N 350.506 4.012 0 1 FIAF CN1C[C@H](COC(=O)C2CCCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21 13793941 NHINDOWVGVTFBF-QVKFZJNVSA-N 364.489 4.161 0 1 FIAF in-vitro O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1 13814639 HYVDSMGJEYQZQA-UHFFFAOYSA-N 369.652 4.420 0 1 FIAF COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(SC)cc32)cc1OC 26670292 NUTKQVLYNINLFX-GOSISDBHSA-N 368.502 4.337 0 1 FIAF C[C@H]1CN(c2cccc([C@H](C)NC(=O)/C=C/c3ccccc3)c2)C[C@H](C)O1 26733591 HEGKZKAFNJXIBL-PSKHUQCOSA-N 364.489 4.191 0 1 FIAF O=c1[nH]c([C@@H]2CC[C@@H](N3CCC(c4ccccc4)CC3)C2)nc2ccccc12 28898944 LJIFLONRFXAXBZ-WOJBJXKFSA-N 373.500 4.439 0 1 FIAF CCNCc1c(C)[nH]c2ccc(OC)cc2c1=Nc1cccc(Cl)c1 32270093 PONSYTZRMYUVSK-UHFFFAOYSA-N 355.869 4.480 0 1 FIAF Cc1cc(NCCc2ccccc2)nc(NC(=N)Nc2cccc(F)c2)n1 45194401 KXDGMBRQRFJICV-UHFFFAOYSA-N 364.428 4.037 0 1 FIAF O=C(O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1O 95556678 NJMJSHFPMPOALJ-UHFFFAOYSA-N 356.769 4.021 0 1 FIAF O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2CSC3)cc1 96923875 NBLRKWUABXQBSO-UHFFFAOYSA-N 363.442 4.261 0 1 FIAF O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1 100391882 LDQTVSTXBDCFCN-ZEFBCVDJSA-N 374.484 4.329 0 1 FIAF CC1=CS[C@@](O)(c2ccc3c(c2)Nc2ccccc2S3)CN1C=O 169307117 WOFQMTUYDHXBLJ-GOSISDBHSA-N 356.472 4.106 0 1 FIAF Cc1cc(-c2nc3nc(Cl)ncc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878731 JFXJATILRBKPAI-UHFFFAOYSA-N 364.792 4.347 0 1 FIAF CCCc1sc(=N)[nH]c1-c1nc2ccc(Br)c(C)c2[nH]1 587013622 UTKIFGZXAARFDA-UHFFFAOYSA-N 351.273 4.122 0 1 FIAF Clc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2nc1Cl 587041424 NPCPJVMDTIOQGQ-STQMWFEESA-N 365.289 4.211 0 1 FIAF COc1cc(/C=C/c2nc3cc(=N)[nH]cc3[nH]2)cc(Cl)c1OCC(C)C 587047648 ZOZRALSFFVLXCV-SNAWJCMRSA-N 372.856 4.238 0 1 FIAF Cc1c(NC(N)=O)cccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587240780 WQKZMKLUOCUZMZ-UHFFFAOYSA-N 352.291 4.187 0 1 FIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587241538 FMXAZIIRMXRWJZ-UHFFFAOYSA-N 365.393 4.159 0 1 FIAF Cc1c(C(=O)c2coc3ccc(Cl)cc23)nnn1Cc1ccccc1 587278487 OPQHJKOZTUTCMF-UHFFFAOYSA-N 351.793 4.265 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C)C(=O)O)(c1ccc(Cl)cc1)O2 587376459 CZSSQSRSTNAHJU-YUNKPMOVSA-N 373.836 4.202 0 1 FIAF CCOC(=O)[C@@]1(c2ccc(C(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587400841 RROSRZQKAZLFQW-QFIPXVFZSA-N 367.445 4.124 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(C(=O)OC(C)(C)C)c1)[C@@H](C2)C3=O 587440809 QQWYCVHLFLHUHK-OXJNMPFZSA-N 366.413 4.139 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)NC(C)C)cc1)CC2=O 587469698 JUPIKJKIIPZJRO-HXUWFJFHSA-N 367.445 4.189 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](CCc1cnc(OC)cc1C)CC2=O 587483916 FJVOCZXXXOZXSI-HNNXBMFYSA-N 355.434 4.023 0 1 FIAF O=C1C[C@]2(CCc3cc4c(cc32)OCCO4)Oc2c1ccc1c2CCCC1 587535709 NLHOQDPKIQBUPH-QHCPKHFHSA-N 362.425 4.144 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCN(C)C)N1 587738552 BBQLGRAWLNPKPF-SJCJKPOMSA-N 357.311 4.070 0 1 FIAF CCc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587851535 CGFYQUDRXOUMRT-ANRSDYALSA-N 355.276 4.231 0 1 FIAF COC(=O)c1ccc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c2c1 587933807 VOPPPBQDYWYNLU-UHFFFAOYSA-N 374.396 4.398 0 1 FIAF CC(C)[C@@H]1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O 618007425 HLXWYTBVKNZZLN-KRWDZBQOSA-N 367.449 4.374 0 1 FIAF OC[C@@]1(c2c[nH]c3ccccc23)NCCc2cccc(-c3ccccc3)c21 962657711 CUJQUZAJUKNUFA-DEOSSOPVSA-N 354.453 4.217 0 1 FIAF CCOC(=O)[C@@H](C)CCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 1857539909 AUGQBVXMRUMYDR-MGPUTAFESA-N 365.901 4.247 0 1 FIAF CCNC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1 1857589242 JVXQRNFQFHAYOW-UHFFFAOYSA-N 355.478 4.238 0 1 FIAF C=CC(=CC(=COC)OC)[C@H](O)[C@@H](C)Oc1ccc(C=CC)cc1OC 2356474967 KZJSYJDWHQFBFZ-QVKFZJNVSA-N 360.450 4.103 0 1 FIAF COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H](CCc3cc(O)ccc3C)C(=O)CC[C@@]12C 2356639123 FQTXLEJDKGILIT-AUJACXKFSA-N 372.505 4.454 0 1 FIAF O=C(CCCSc1nc2ccccc2[nH]1)NCc1ccc(Cl)cc1 12486536 MEXLMFKBKYBOCG-UHFFFAOYSA-N 359.882 4.405 0 3 FIAF CN(C)c1ccc(-c2csc([C@](C)(O)c3ccc(F)c(F)c3)n2)cc1 61929300 PHWDFGIENUNJSU-LJQANCHMSA-N 360.429 4.410 0 3 FIAF CCN(CC)C1=N/C(=C\c2ccccc2)C(=O)N1c1cccc(Cl)c1 4664710 LFCFNHRVKIARRV-AQTBWJFISA-N 353.853 4.426 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)C[C@H](O)C=C(C)C[C@@H](O)[C@H]12 2356521453 YVXKBXZXMGSJNO-JTPGIBLYSA-N 364.526 4.015 0 1 FIAF CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccc(Br)cc3N2O1 26508259 BGGSRICBOHRXMJ-QFBILLFUSA-N 373.294 4.167 0 1 FIAF CC(C)C[C@@](CCN(C(C)C)C1CCCCC1)(C(N)=O)c1ccccn1 27521522 YHBMSCSULYFOAL-JOCHJYFZSA-N 359.558 4.284 0 1 FIAF CC(=O)N[C@@](C)(c1ccccc1)c1nc(-c2ccc(N(C)C)cc2)cs1 61926267 JTMABANTRIHXNJ-NRFANRHFSA-N 365.502 4.276 0 3 FIAF CCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-c3ccccc3)cc2)C1 61907729 DVYGGEJYRWKRAJ-QHCPKHFHSA-N 350.506 4.482 0 3 FIAF COc1ccc(C)c2sc(NS(=O)(=O)c3ccc4occc4c3)nc12 84688775 FVBMNUOADMIYFG-UHFFFAOYSA-N 374.443 4.160 0 1 FIAF CN1CCC=C([C@@H]2SCC(=O)N2c2ccc(Nc3ccccc3)cc2)C1 45299919 MPQZILZHYZIGDB-NRFANRHFSA-N 365.502 4.098 0 1 FIAF FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccncc4)n3n2)c1 95602981 HYHMMLICYDEWBR-UHFFFAOYSA-N 373.363 4.356 0 1 FIAF CC[C@@]12C=C(COC(=N)O)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 2382227036 JRMHAPHSFCXBRS-CTNGQTDRSA-N 351.450 4.095 0 1 FIAF Cc1ccc(C2=C[C@H](c3ccc(F)cc3)N(C(=O)c3ccncc3)N2)cc1 2382247681 YOVRWGDZBSXUPG-OAQYLSRUSA-N 359.404 4.272 0 1 FIAF Clc1cnc2[nH]c(CCCOc3cnc(Cl)c(Cl)c3)nc2c1 2382254290 HNVFNJIXFYOHNH-UHFFFAOYSA-N 357.628 4.325 0 1 FIAF COc1cc(-c2ccsc2)cc2c1OCCN(Cc1cccnc1)C2 473132690 UIWKWDOKMPFHQO-UHFFFAOYSA-N 352.459 4.213 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cc3ccccc3OC2)N1 587832273 BFSGKOHOBXOXDN-CWTRNNRKSA-N 374.253 4.424 0 1 FIAF Fc1ccc(-c2cnn(Cc3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cc1 587164841 CPOSJQZAOWPNPG-UHFFFAOYSA-N 362.195 4.316 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Cl)nc1 587655442 HIQASUQHMGIAIT-UHFFFAOYSA-N 369.758 4.379 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2N)N1 587731941 MCKXIEDZHNPLQR-VVVCHXIZSA-N 367.237 4.107 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1sccc12 587618581 OTUSIFDYYWCTHM-FXAWDEMLSA-N 350.395 4.257 0 1 FIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 587241393 BYPGPIOGSYRNOU-UHFFFAOYSA-N 365.433 4.376 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)c(Br)c1)O2 587381330 HCFJFJJRJGQKJY-QGZVFWFLSA-N 364.214 4.359 0 1 FIAF CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517103 HCANMBNSWQYXRV-UZUQRXQVSA-N 369.505 4.471 0 1 FIAF CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2ccc([C@@H](C)CC)cc12 587643268 CISYOQGIZXBBIP-ZDUSSCGKSA-N 350.418 4.489 0 1 FIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(Cl)ncc2[nH]1 587120658 RVOSGQHYXNVZIC-UHFFFAOYSA-N 355.629 4.039 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(C1CCNCC1)O2 587379380 UKTHUFWUUFJDSK-NRFANRHFSA-N 370.880 4.091 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)cc1OC 587870697 GTLDXIIGLZWQOZ-UHFFFAOYSA-N 374.799 4.438 0 1 FIAF Nc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1N 587109256 DTAWDBJKQXJKGD-UHFFFAOYSA-N 374.288 4.356 0 1 FIAF Fc1cc(F)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 587115951 GTLNADJHWMTYMU-UHFFFAOYSA-N 350.250 4.470 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(F)c1O 587555193 FUTVCVCOJQAAFH-OXJNMPFZSA-N 370.307 4.079 0 1 FIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)c(Cl)cc12 587510822 WZWRQMFTQUUZMQ-HXUWFJFHSA-N 371.795 4.171 0 1 FIAF CC(C)[C@@H]1C[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCO1 587614080 BKMFKWMPSQTHOJ-XFIWCOJDSA-N 368.429 4.174 0 1 FIAF FC(F)(F)Oc1cccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587017502 XHCIVYJLUJEOJJ-NSHDSACASA-N 355.341 4.437 0 1 FIAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587847272 KAFROQDNTWLCFM-ANRSDYALSA-N 356.260 4.282 0 1 FIAF CCOC(=O)C[C@@]1(c2cccc(F)c2)c2c(F)cccc2C[C@@H]2CCCN21 963102550 KRIROOGDTKXCFG-PGRDOPGGSA-N 371.427 4.182 0 1 FIAF Cc1ccnc2c1CCN[C@@H]2c1ccn(-c2ccc(Br)cc2)c1 963087050 KWNWJDQBEICYOX-GOSISDBHSA-N 368.278 4.178 0 1 FIAF COC(=O)/C1=C/C=C\C[C@@]2(C)C[C@H](c3ccoc3)OC(=O)[C@@H]2CC[C@H]1C 5839418 LDIUDVOTXDYTPG-NFCONZSJSA-N 358.434 4.366 0 1 FIAF COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2cnc(C)s2)C1 19792998 MKZLUAVLJPHTCA-CYBMUJFWSA-N 364.898 4.208 0 3 FIAF O=c1oc2ccc(OCCc3ccc(F)cc3)cc2cc1Br 169303306 HVXFJYLSVHLWBR-UHFFFAOYSA-N 363.182 4.316 0 1 FIAF Nc1nc(-c2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2)c[nH]1 169325410 OUTBSWPQQLHFGR-UHFFFAOYSA-N 351.797 4.046 0 1 FIAF COc1cc(OC)n2cc(-c3ccc(NCc4ccccc4)cc3)nc2n1 169350227 LYTWWFALGJUROX-UHFFFAOYSA-N 360.417 4.026 0 1 FIAF NCCNC(=O)c1cccc2nc(-c3ccc(-c4ccccc4)cc3)ccc12 1857545052 BBOLDCISBOVEGM-UHFFFAOYSA-N 367.452 4.257 0 1 FIAF C[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccco3)=NN2C1=O 1857643808 QUKRSZPVALXQPI-OQPBUACISA-N 351.189 4.045 0 1 FIAF CCN(CCN(CC)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 1654349 NVNBATZARGQNDR-UHFFFAOYSA-N 354.454 4.094 0 1 FIAF O=c1[nH]c2ccc(N3CCC[C@H]4CCCC[C@@H]43)nc2nc1Cc1ccccc1 4048877 PBPKWKPTVJYQDW-XLIONFOSSA-N 374.488 4.068 0 1 FIAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)CN3CCC[C@@H]3C2)cc1 14696009 ZICIMKCNGGNJIZ-GOSISDBHSA-N 365.473 4.491 0 1 FIAF biogenic COc1c(S(=O)(=O)c2ccc(C)c(F)c2)cnc2ccc(Cl)cc12 15828983 RQLAEWBBWCKWSH-UHFFFAOYSA-N 365.813 4.177 0 1 FIAF CCC(CC)CN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1 28825044 XCXGXHLAQVJAAR-UHFFFAOYSA-N 367.493 4.157 0 1 FIAF Cc1ccc(-c2nnc(NC(=O)COc3ccccc3Cl)o2)cc1C 66147938 KHDLJESGMRJXHU-UHFFFAOYSA-N 357.797 4.024 0 1 FIAF CC(=NC(=N)Nc1nc2ccccc2s1)c1cc2ccccc2oc1=O 68601369 ABCYUZADHMMXDX-UHFFFAOYSA-N 362.414 4.259 0 1 FIAF biogenic CC[C@H](CCc1ccc(C[C@H]2C=C(C)[C@@H](O)C[C@@H]2C(C)(C)O)cc1)OC 85510778 CLHYVNSCCZEHLX-CZYKHXBRSA-N 360.538 4.301 0 1 FIAF biogenic,in-vitro C[C@@H](Nc1nc(-c2cccc(C(=O)O)c2)cnc1N)c1ccc(Cl)cc1 96284810 QSCTUHMIAWVPOA-LLVKDONJSA-N 368.824 4.251 0 1 FIAF CCCCN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 101344888 LSOMCXBDJUJJMU-HDICACEKSA-N 365.429 4.141 0 1 FIAF Cc1ccnc(C)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)CN2C 140588255 VKDBOCQXGUSYGG-JRSYVHTFSA-N 363.505 4.044 0 1 FIAF O=C(O)CCCNC(=O)c1ccccc1NCc1ccc2ccccc2c1 169333683 ORFNVYCXZAYSLY-UHFFFAOYSA-N 362.429 4.047 0 1 FIAF O=C(N[C@@H]1CCCC[C@@H]1NCCCc1ccccc1)c1ccc(F)cc1 169350877 UJHWCJUZWHHXMI-LEWJYISDSA-N 354.469 4.089 0 1 FIAF Cc1nn(-c2ccccc2Cl)c2nc(C[C@@H](C)C(F)(F)F)nc(O)c12 299841544 ULJBXGVAQXFNFY-MRVPVSSYSA-N 370.762 4.224 0 1 FIAF investigational CN1CCC(NC(=O)c2cc(C3CCCCC3)nc3ccccc23)CC1 299852406 RJGWGLOIHDUEAH-UHFFFAOYSA-N 351.494 4.107 0 1 FIAF CC(C)(C)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2n1 586912927 HVHWREZPVFOBMC-UHFFFAOYSA-N 351.450 4.058 0 1 FIAF CSc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085035 MSQAEWVAUFZWMQ-UHFFFAOYSA-N 359.886 4.112 0 1 FIAF Fc1c(Br)cc2nc(C(F)(F)c3ccccn3)[nH]c2c1F 587089569 DPNLIJDIYJPIQE-UHFFFAOYSA-N 360.108 4.139 0 1 FIAF Cc1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2n1 587190807 ONLUWUXZKKBXDZ-INIZCTEOSA-N 352.438 4.223 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](C)c1cccc(Br)c1)O2 587378934 WYJNLKZNBAKYSN-PIGZYNQJSA-N 360.251 4.477 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1cc(F)ccc1F)O2 587380664 BJKKGKDHAHZOQW-NRFANRHFSA-N 366.367 4.159 0 1 FIAF C[C@]1(c2c(N)sc3c2CCOC3)CC(=O)c2ccc3c(c2O1)CCCC3 587536344 UZYSXWGANYIWGG-OAQYLSRUSA-N 369.486 4.162 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cccc(O)c12 587586730 DDWRIFCJXFHRJM-UGKGYDQZSA-N 373.364 4.282 0 1 FIAF Cc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613429 XXRADZHSVHHDOU-OFNKIYASSA-N 374.392 4.340 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2F)N1 587721453 VUHAMAQTMKAXNR-VPTHRUTESA-N 356.185 4.490 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2N)N1 587726654 KDZRXMBXRHYFBZ-HUTHGQBESA-N 367.237 4.107 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2n[nH]c3ccccc23)N1 587792196 HBIQWPPSKUOPIP-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF CCc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587851118 AHMNYZGPQBZBRB-XLKFXECMSA-N 355.276 4.231 0 1 FIAF Cc1ccccc1-c1ccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587959524 OMYOJQUGXUVUCY-UHFFFAOYSA-N 366.428 4.105 0 1 FIAF O=C(OCCCc1ccccc1)N(c1ccccc1)[C@@H]1CN2CCC1CC2 1857545365 BDKHSETYUSIWLB-JOCHJYFZSA-N 364.489 4.357 0 1 FIAF CCCCCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 2356439540 USJVWURFAMIZKS-XIYVOTBMSA-N 364.526 4.303 0 1 FIAF CC(=CCCC1=C[C@H](c2cc(O)ccc2O)OC1=O)CCC(=O)C(C)C 2356732870 CEINAMXDMPYDMG-HXUWFJFHSA-N 358.434 4.354 0 1 FIAF COc1ccc(NC(=O)N[C@@H]2CSc3ccc(F)cc3C2)cc1Cl 2382219522 UENOUPVSZYKLRD-ZDUSSCGKSA-N 366.845 4.326 0 1 FIAF COc1ccc(C2=NN(C3CCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1Cl 3990008 HZXQJGPDTRZCNX-JKSUJKDBSA-N 358.869 4.420 0 1 FIAF O=C1CCCC2=NC(Nc3nc4ccccc4o3)=NC3(CCCCC3)[C@H]12 9348912 YYGMBSSIMDCWLX-KRWDZBQOSA-N 350.422 4.122 0 1 FIAF COc1cc2c(cc1O)[C@@H](c1ccc(OC)c(OC)c1)[C@H](C)[C@@H](C)C2=O 14726869 ZXAFNDDXODHVOJ-FKANQGBASA-N 356.418 4.018 0 1 FIAF biogenic,in-vitro COc1cc(C(C)(C)C)ccc1C(=O)Nc1ccc2c(c1)CN(C)CC2 26731666 JXXWIJHRAQTGNN-UHFFFAOYSA-N 352.478 4.233 0 1 FIAF CC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc3cc(F)ccc3c12 27328411 KZZGYVOWHLVCTA-UHFFFAOYSA-N 350.324 4.199 0 1 FIAF CS(=O)(=O)c1ccc(-c2[nH]c(F)c(F)c2-c2ccc(F)cc2)cc1 28014733 XAWRGKXHALTKNV-UHFFFAOYSA-N 351.349 4.170 0 1 FIAF Cc1ccc(Sc2ccccc2N2C[C@H](C)N(CC(=O)O)C[C@@H]2C)cc1 28364065 LYXNCDUSNBFCIB-IRXDYDNUSA-N 370.518 4.130 0 1 FIAF C[C@H]1CCO[C@]2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1 28523609 UFBTXBXBMIBAIJ-SZFUDVHCSA-N 354.425 4.273 0 1 FIAF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 28820533 MSOXFKWHWFYDCY-HNNXBMFYSA-N 370.518 4.375 0 1 FIAF O=C1NC(=O)[C@H](Sc2ccc3ccccc3c2Br)S1 29216425 HFPNSALLRUGPJS-GFCCVEGCSA-N 354.250 4.004 0 1 FIAF C1=C(c2cccc(CNCCOc3cccc4c3OCCO4)c2)CCC1 35259214 PTSYEFRBIUQVOF-UHFFFAOYSA-N 351.446 4.194 0 1 FIAF COc1cc2c(cc1OC)[C@H](O)[C@H](CC1CCN(c3ccccc3)CC1)C2 49045500 SSBYUQPQURUNFB-WZONZLPQSA-N 367.489 4.216 0 1 FIAF COc1ccc2sc(C(=O)c3cc(OC)c(OC)c(OC)c3)cc2c1 53230713 PCJJZIGGLVSMGA-UHFFFAOYSA-N 358.415 4.167 0 1 FIAF CC(C)CCC(=O)N1CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 71329195 PYWFHTUNNRTQNT-UHFFFAOYSA-N 373.541 4.487 0 1 FIAF CCN(CC)C(=O)[C@H]1CCCc2c1c1cc(F)c(OC)cc1n2CCF 73197025 FGDKXQIJZSPQHK-ZDUSSCGKSA-N 364.436 4.047 0 1 FIAF O=C(NC1CCCCC1)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82197835 PTMYNASTBKMZDU-SFHVURJKSA-N 373.497 4.367 0 1 FIAF CCc1c(C)sc(N(C)C(=O)c2ccc(Cl)cc2)c1C(=O)OC 95603220 NAJAFKZHWRTTIB-UHFFFAOYSA-N 351.855 4.336 0 1 FIAF CC(C)C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1 96282855 HKQHWWQCRDXFGC-UHFFFAOYSA-N 352.221 4.235 0 1 FIAF CC(=O)Oc1cc(CC(=O)c2ccccc2)cc2oc(C(C)C)cc(=O)c12 96929675 QISHYLXFRFWDTK-UHFFFAOYSA-N 364.397 4.267 0 1 FIAF biogenic COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(OC)c3)cc2)C[C@H]2CC[C@H]1N2C 137679356 YAWYTOJUXFKJAW-NMIHRBCNSA-N 365.473 4.102 0 1 FIAF COC(=O)CCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 144785795 AAZRUJBRNBEHMO-GOSISDBHSA-N 351.490 4.486 0 1 FIAF N[C@H](CO)Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12 146709048 CJSKCQZISCGSQU-SFHVURJKSA-N 358.441 4.285 0 1 FIAF Cc1ccc(N(CC2CC2)C(=O)N2CCN(c3ccccc3C)CC2)cc1 169304041 ULGALKCGYKUWBQ-UHFFFAOYSA-N 363.505 4.462 0 1 FIAF O=C1N=Nc2nc(CN3CCC(Cc4ccccc4)CC3)nc3cccc1c23 169710133 ZOXOYDKOVSDSCM-UHFFFAOYSA-N 371.444 4.322 0 1 FIAF CN1CC=CCOCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)C1 254120977 VNUICWVLRHUNJF-UHFFFAOYSA-N 372.472 4.405 0 1 FIAF C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 299819552 GQECVTUOELTXTC-WIBHACHGSA-N 359.510 4.312 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2C(C)=O 299849562 CLPHRXGNIWYRJV-PDFLQEANSA-N 374.521 4.347 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896007 GDANZIWDPIEHDB-UHFFFAOYSA-N 357.413 4.304 0 1 FIAF COc1ccc(C=O)c2cc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)oc12 586902626 ASOULAGXQPIWGN-UHFFFAOYSA-N 361.279 4.211 0 1 FIAF COC(=O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006817 SWLSETUBWGVSNX-UHFFFAOYSA-N 370.206 4.032 0 1 FIAF Cc1c(Br)ccc2nc([C@H](O)c3ccccc3Cl)[nH]c12 587059455 QORBKZFBZXLABF-CQSZACIVSA-N 351.631 4.369 0 1 FIAF COc1cncc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c12 587121822 MIGVHNKRXZPUKQ-UHFFFAOYSA-N 374.322 4.389 0 1 FIAF CCCOc1cc2nc(C3CCC(N)CC3)[nH]c2cc1Br 587256699 NXMSMBXPZRRDOV-UHFFFAOYSA-N 352.276 4.099 0 1 FIAF COc1cc(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587377552 NMAHVBXUCUYNFP-INIZCTEOSA-N 362.223 4.055 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(Cl)n1)O2 587377944 QNWDNLBANKIUOS-CYBMUJFWSA-N 367.630 4.095 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)cc(Br)c1)O2 587384426 CYDAUIMFBVEGLN-QGZVFWFLSA-N 364.214 4.359 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(C(C)(C)c1cccnc1)O2 587396320 ZDTNARJLFPNTNI-QHCPKHFHSA-N 373.456 4.206 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCC(C)CC1)CC2=O 587473642 AUSJINVPWLJKDK-HXUWFJFHSA-N 359.510 4.437 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CF)c1ccccc1 587555666 LOQAKAZOUJYXFA-RXVVDRJESA-N 350.345 4.219 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(F)c1 587556635 YORQGGSPVURMAW-FXAWDEMLSA-N 354.308 4.373 0 1 FIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2c1 587648722 ADLKTUKTKQHNDQ-UHFFFAOYSA-N 366.417 4.440 0 1 FIAF Cc1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587773897 RZBDBLUJUKJIQB-KZULUSFZSA-N 363.274 4.284 0 1 FIAF CC[C@]1(Cc2nc3cc(OC)c(OC)cc3[nH]2)CC(=O)c2ccccc2C1 587958915 AAGHUNAPDHAEAG-JOCHJYFZSA-N 364.445 4.348 0 1 FIAF CCN(CC)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 1857564544 ABHDCLDAAZIPMQ-XGAFWQRZSA-N 357.542 4.045 0 1 FIAF COC(=O)[C@H](C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)OC)CCC[C@]21C 2356421395 IKWAALBTQGUXKJ-SHYZFUQISA-N 358.478 4.146 0 1 FIAF Cc1nc(-c2ccccc2)c(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)s1 2356496900 RASUIWFLIAJZBN-QZTJIDSGSA-N 369.534 4.113 0 1 FIAF Cc1cnc(NC(=O)N2CC[C@@H](Nc3ccc(Cl)c(C)c3)C2)s1 2382259013 NIHIHADVFOFNPM-CYBMUJFWSA-N 350.875 4.132 0 1 FIAF COc1ccc([C@H]2C[C@H](c3ccccc3OC(F)F)Nc3ncnn32)cc1 2919716 KKMFBYMQGPDOBM-HZPDHXFCSA-N 372.375 4.034 0 1 FIAF N[C@H](CCc1ccccc1)c1csc(NC(=O)NCC2CCCCC2)n1 61928287 PCRKVVCIVQTBPV-QGZVFWFLSA-N 372.538 4.478 0 3 FIAF COc1ccc(OC)c(C(=S)NCc2ccc(C(F)(F)F)cc2)c1 66157613 DHXLYFJASXNNQV-UHFFFAOYSA-N 355.381 4.188 0 1 FIAF CCCC[C@H]1OC(=O)O[C@]1(Cn1cncn1)c1ccc(Cl)cc1Cl 26010294 ULKDAHCLYKIVDI-GDBMZVCRSA-N 370.236 4.206 0 1 FIAF Cc1noc(C)c1-c1cc(N2C(=O)CC[C@@H]2C)c2nc(C3CC3)[nH]c2c1 219426441 BPVVDSOJWDYUJO-JTQLQIEISA-N 350.422 4.227 0 1 FIAF Cc1cccc(N2CCN(Cc3coc(-c4ccc(O)cc4)n3)C[C@@H]2C)c1 72183944 FGRZEGSXAJTYQX-KRWDZBQOSA-N 363.461 4.066 0 1 FIAF CCCCCn1c2ccccc2c2cc(C(=O)N3CCN(C)CC3)ccc21 96938071 JTSCTLNYUWJURQ-UHFFFAOYSA-N 363.505 4.372 0 1 FIAF O=C(CSc1nncnc1-c1cccc2ccccc12)Nc1ccccc1 95559442 BUWOTAKQHJZMMF-UHFFFAOYSA-N 372.453 4.423 0 1 FIAF Cc1cccc(-n2nnc(CCC(C)C)c2-c2ccc3nccnc3c2)n1 95585104 PAXZFQGPAKOPRA-UHFFFAOYSA-N 358.449 4.170 0 1 FIAF CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)cn1 95595408 WFUALLAHVBHOCP-UHFFFAOYSA-N 373.460 4.389 0 1 FIAF CO[P@](C)(=O)OC[C@@H]1[C@H](C=C(C)C)[C@@]1(C)CO[P@@](C)(=O)OC 254111172 BSAAHOUPSFVCBI-QGYOFUSLSA-N 354.320 4.177 0 1 FIAF C[C@H]1c2c3c(c(Cl)c(Cl)c2C(=O)[C@H]1C1CCCC1)O[C@@H](C(=O)O)C3 299818065 DQFOSDZUPRONCV-AVPPRXQKSA-N 369.244 4.488 0 1 FIAF CSc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1F 2382231634 MBVVAHWIXVFNDQ-UHFFFAOYSA-N 366.464 4.396 0 1 FIAF Cc1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587570694 XFWZCIVHVJTXQR-UWJYYQICSA-N 366.344 4.248 0 1 FIAF O=C(O)/C=C/c1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 586881640 XYRNSNRAKOJJMI-AATRIKPKSA-N 361.170 4.229 0 1 FIAF COc1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 587394356 UNTCKGQXEUSRDQ-OAQYLSRUSA-N 360.413 4.354 0 1 FIAF Fc1ccccc1CCc1nc2c(Br)cnc(Cl)c2[nH]1 587151414 YCQQYSULINHMMM-UHFFFAOYSA-N 354.610 4.298 0 1 FIAF CC(C)N(C)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332221 CQJXEPFXMAEMTK-UNMCSNQZSA-N 371.452 4.379 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)c(O)nc1C)CC2=O 587462927 SSVISCWFFBEDAQ-IBGZPJMESA-N 361.825 4.288 0 1 FIAF Clc1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1 587041477 ZVOPTHFMKHNWNE-UHFFFAOYSA-N 367.659 4.279 0 1 FIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cnccc4[nH]3)cc2)cc1F 587147413 LSPHDUYXQVQRSA-UHFFFAOYSA-N 374.419 4.105 0 1 FIAF CCn1ncc(Br)c1C(=O)c1coc2ccc(Cl)cc12 587275684 DPTATLRYJLVPIQ-UHFFFAOYSA-N 353.603 4.296 0 1 FIAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(C(N)=O)cc4[nH]3)c2)c1 587160264 OKQGVPXDQFOUAW-UHFFFAOYSA-N 361.376 4.144 0 1 FIAF C[C@@H]1COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587619424 XTBNDWCOMPVZQW-HCVAFPHWSA-N 374.392 4.278 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCC23CCOCC3)[C@H]1c1ccc(F)cc1 587355699 FWYWPSNUBALZAP-UGKGYDQZSA-N 368.404 4.220 0 1 FIAF Cc1onc(-c2nc3cc(O)ccc3[nH]2)c1COc1ccc(Cl)cc1 587076826 VKSKUBXEORGHBQ-UHFFFAOYSA-N 355.781 4.464 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccc(F)cc4)n1)[C@@H](C2)C3=O 587429774 WXCHOJGOKSRDQB-IFXJQAMLSA-N 367.401 4.447 0 1 FIAF Cc1c(Br)cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1C 587157930 VWVPHTKTAOTUPH-KPZWWZAWSA-N 374.257 4.423 0 1 FIAF O=C(O)c1cc(F)cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587068201 LJVWMCGJXQSGQL-UHFFFAOYSA-N 356.744 4.111 0 1 FIAF CC1(NC(=O)OC(C)(C)C)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587513412 SIHWEWDVXCGZBV-UHFFFAOYSA-N 371.477 4.347 0 1 FIAF CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 587813978 XAKTYNLFXVOAOT-UCMVZMLTSA-N 368.290 4.297 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccc(C(C)C)cc1)(C(C)(C)O)[C@@H](C2)C3=O 587450665 NYTJIFWECSFFFM-MBSDFSHPSA-N 366.457 4.232 0 1 FIAF O=C1CCC(c2ccccc2)(c2nc3cc4c(cc3[nH]2)OCCCO4)CC1 586877467 AMPQNATXPREENP-UHFFFAOYSA-N 362.429 4.153 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccc(Cl)cc4)on1)[C@@H](C2)C3=O 587420498 IICNSTTWESCRLS-VBKZILBWSA-N 367.788 4.492 0 1 FIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(Cl)cnc2[nH]1 587120390 HFLMDVLWLCDPSP-UHFFFAOYSA-N 355.629 4.039 0 1 FIAF Cc1c(-c2c[nH]c(C(=O)O)c2)nc2cccc3c2c1-c1ccccc1C3=O 587106743 MKMOENIMPDNAQP-UHFFFAOYSA-N 354.365 4.448 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)cc1Br)[C@@H](C2)C3=O 587429024 RLDUJHMKKXEKSJ-SJCJKPOMSA-N 363.182 4.086 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCOC1CCCC1 587602467 XZEPEXINRIHOGC-HKUYNNGSSA-N 354.402 4.072 0 1 FIAF O=C(c1ccc2c(c1)OCCO2)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587634004 SSERAFOXCOCOAQ-UHFFFAOYSA-N 365.282 4.328 0 1 FIAF COc1cncc(N)c1-c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 587253934 HNBKBVOWOJYYSG-UHFFFAOYSA-N 373.441 4.492 0 1 FIAF C[C@@]1(c2ccc3c[nH]nc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595015 MFRHAQIQNWWKOJ-UGKGYDQZSA-N 372.380 4.146 0 1 FIAF COc1ccc(Nc2nc(Nc3ccccc3)nc(NC(C)C)n2)cc1 1772580617 SCKJRILJHCVXPN-UHFFFAOYSA-N 350.426 4.188 0 1 FIAF COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@@]12Cc1cc(C)cc(C)c1C2=O 5539760 XRYCDSHAJGVWQP-JTSKRJEESA-N 362.429 4.126 0 1 FIAF COCCN(Cc1c[nH]nc1-c1ccc2cc(OC)ccc2c1)C(C)C 11663760 OSJWFIPQTSZRPL-UHFFFAOYSA-N 353.466 4.095 0 3 FIAF Nc1cccc(-c2ccc(OC[C@@H]3CC4CCN3CC4)c3ccccc23)n1 13559829 LVAYROCXCGELAH-KRWDZBQOSA-N 359.473 4.347 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1ccc[nH]1 169369990 XGBWNEKVHQUBJF-NSRWFMRTSA-N 368.521 4.335 0 1 FIAF Cc1nnc(Nc2ccc3c(c2)nnn3-c2ccccc2)c2ccccc12 200651933 JUFXKHWOZVWPRB-UHFFFAOYSA-N 352.401 4.416 0 1 FIAF O[C@]1(c2ccc(Cl)cc2)c2ccccc2C2=NCc3ccccc3CN21 1861988 DGLUIONDYMRDKN-JOCHJYFZSA-N 360.844 4.309 0 1 FIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)CCO2 3794806 NEXAKWOSJPQGTH-IBGZPJMESA-N 351.490 4.225 0 1 FIAF CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccccc1 28823156 UPDUYUXEJPRPQP-CQSZACIVSA-N 367.898 4.216 0 1 FIAF COc1ccc2nc(/C=C/[C@@H]3c4ccccc4C[C@H]4C(=O)OC[C@@H]34)ccc2c1 28823268 RXMYLZVQPHYFRX-MFHMPTHUSA-N 371.436 4.386 0 1 FIAF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)cn1 96172840 MRHFKWOAUMBYFN-MRXNPFEDSA-N 368.477 4.221 0 1 FIAF CC12CCCc3cc(C(=O)Nc4ccc(C(=O)O)c(O)c4)cc(c31)CCC2 96907125 AVPRBWASVWKWES-UHFFFAOYSA-N 365.429 4.273 0 1 FIAF CCc1ccc(-c2ccc(C(=O)NCC(=O)NC3CCCCC3)cc2)cc1 148540283 QPRGQOPSXNLAJM-UHFFFAOYSA-N 364.489 4.095 0 1 FIAF C[C@H]1CCCN(C(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)C1 166039388 ITYFKOXNXBAEDA-INIZCTEOSA-N 363.461 4.106 0 1 FIAF O=C(Nc1ccccc1)N[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169324221 POAZDHDULAOKDH-UZLBHIALSA-N 360.461 4.051 0 1 FIAF COc1c(-c2ccccc2)oc2c(c(O)cc3oc(C(C)(C)O)cc32)c1=O 238781788 WEEZFSYQQWKODU-UHFFFAOYSA-N 366.369 4.148 0 1 FIAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1 261183529 WRBZABSLXIGYJG-UWJYYQICSA-N 355.526 4.268 0 1 FIAF CCCCc1cc(=O)oc2cc(OCc3nc4c(C)nccc4[nH]3)ccc12 586918530 NQOGAZJOPSABSV-UHFFFAOYSA-N 363.417 4.294 0 1 FIAF Cc1ccc(-n2cnnc2SCc2nc3ccc(O)cc3[nH]2)cc1Cl 586967590 BHYYELGNINVSPM-UHFFFAOYSA-N 371.853 4.103 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3ccc(F)c(F)c3[nH]2)cc1 586970258 JWHOEXZRECYEPR-UHFFFAOYSA-N 361.417 4.064 0 1 FIAF CCc1ccc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2c1 586971521 YPHCBGCEXAZSAN-UHFFFAOYSA-N 353.491 4.348 0 1 FIAF COc1cc(-c2nc3cccc(C(N)=O)c3[nH]2)cc(Cl)c1OCC(C)C 587046161 LMPBGMLSZPZAEA-UHFFFAOYSA-N 373.840 4.026 0 1 FIAF COC(=O)Nc1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 587243438 LKRNSXLJWSFYGD-UHFFFAOYSA-N 373.416 4.240 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c3c(c1)OCCCO3)O2 587379324 HWVXBFSMGARNOW-INIZCTEOSA-N 359.809 4.098 0 1 FIAF CSc1ccc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(O)nc2c1 587409750 JIHJJCAVMKLXQL-SFHVURJKSA-N 366.442 4.259 0 1 FIAF CCCc1c(O)ccc2c1O[C@](COC)(c1ccc(F)c(F)c1)CC2=O 587465108 ARVUHWCFLWDRDD-HXUWFJFHSA-N 362.372 4.130 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)O)c(C)cc1C)CC2=O 587491358 UIRPJEFHNCFZPH-IBGZPJMESA-N 354.402 4.366 0 1 FIAF Cc1c(Cl)ccc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587509594 VKCHWSRNHWHCLT-OAQYLSRUSA-N 367.832 4.340 0 1 FIAF COC(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533484 VSWXCBDNXWCJHA-HXUWFJFHSA-N 356.443 4.294 0 1 FIAF Cc1ccn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc2c1 587585617 FJZTZYWOVOKMBV-DENIHFKCSA-N 372.380 4.051 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1scnc1Cl 587619761 VAJBINZNDUYNHX-WFASDCNBSA-N 359.790 4.205 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(F)c2)N1 587726400 XBPZRLPSRUMSFE-BCTVWOGZSA-N 354.194 4.057 0 1 FIAF CC(=O)CC[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814905 WRFJWAQQCPBEQJ-GTNSWQLSSA-N 356.279 4.343 0 1 FIAF O=C(NC(=O)c1ccccc1F)N[C@@H]1c2ccccc2[C@H]2CCCC[C@@H]21 653794438 TVGZSLJCOFSACN-SIXWZSSISA-N 352.409 4.294 0 1 FIAF Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)ccn1 653847650 NSACRYWZPSMHSV-UHFFFAOYSA-N 370.380 4.089 0 1 FIAF CC(C)(C)c1n[nH]cc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962700792 KMWDSYQYQYVLAX-FZKQIMNGSA-N 359.514 4.299 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2C12[C@H]1CC3C[C@H]2CC(NC(C)=O)(C3)C1 963235129 FYJPVDLSVKEMIW-AHHYKCDSSA-N 366.549 4.253 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC)[C@H](CC(=O)OC)C(=O)CC 963242921 QRHOFVAWDLJYHZ-PERKRYKHSA-N 359.510 4.107 0 1 FIAF C[C@H](COc1ccccc1)COc1ccn(-c2ccc(F)cc2)c(=O)c1 1857547258 AWLSYGBVBZUGBY-MRXNPFEDSA-N 353.393 4.071 0 1 FIAF O=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1ccco1 2930850 DROVBNZYTKPDMC-UHFFFAOYSA-N 359.385 4.367 0 3 FIAF CC(C)C[C@H]1O[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2N1C 263590465 JMSKTLHYINJDLZ-KCJGJZAOSA-N 367.537 4.178 0 3 FIAF CCc1ccc(CCNC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3C)cc1 263590621 CRALXFFSZDYBLB-GVJIXFOXSA-N 370.537 4.169 0 3 FIAF C[C@@]12C(=O)N(c3ccccc3Cl)C(=O)N1CCc1c2[nH]c2ccccc12 2111673 KTVKZVBJFDGXCT-HXUWFJFHSA-N 365.820 4.061 0 1 FIAF biogenic COC(=O)c1cc(C)ccc1[C@@H]1CN=N[C@]12Cc1c(C)cc(C)cc1C2=O 5539781 KLKQGXZLJBEEQM-SIKLNZKXSA-N 362.429 4.126 0 1 FIAF CC(C)Oc1c(-c2ccc(F)cc2)c(O)c2c3c1oc(=O)n3C=C[C@H]2C 5831519 LVPNVIISRGWEEU-LLVKDONJSA-N 355.365 4.481 0 1 FIAF O=C(O)C1=Cc2c([nH]c3ccccc23)C(C(=O)O)=Cc2c1[nH]c1ccccc21 13459108 JYSFAFDJULVEED-UHFFFAOYSA-N 370.364 4.213 0 1 FIAF biogenic Oc1ccc(Br)cc1Oc1cc(Br)ccc1O 13529719 NOYUGZQYXSSHCL-UHFFFAOYSA-N 360.001 4.415 0 1 FIAF C[P@](=O)(O)[C@H](CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O 13742078 VGENPYWOFIUGGK-KRWDZBQOSA-N 368.306 4.080 0 1 FIAF O=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1 14658848 XAJFCGSSMHQTIO-UHFFFAOYSA-N 355.353 4.127 0 1 FIAF biogenic COc1cc2c(cc1O)[C@@]1(CC=C(C)C)COc3cc(O)ccc3[C@H]1O2 14819585 WLDDYRDGRVNYEY-NHCUHLMSSA-N 354.402 4.227 0 1 FIAF biogenic O=c1c2ccc(F)cc2nc(-c2ccccc2O)n1CCc1ccccc1 28130835 KWHYVBAASFOQKW-UHFFFAOYSA-N 360.388 4.151 0 1 FIAF CCCCN1C[C@H](C(=O)N(CC)CC)C=C2c3cccc4[nH]cc(c34)C[C@H]21 28252080 VTVHSIXDKKKTMT-DYESRHJHSA-N 365.521 4.076 0 1 FIAF CC(C)N1C[C@@H](CNCCCc2c[nH]c3ccccc23)Oc2ccccc21 28571896 VKCUQIFDZDDWJX-LJQANCHMSA-N 363.505 4.366 0 1 FIAF O[C@@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1cncnc1 28768050 YNWYQQUQEXUBNN-QGZVFWFLSA-N 364.754 4.433 0 1 FIAF COc1cc([C@H]2OC[C@@H](CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)O2)ccc1O 34055472 ZOGKSXQLOOQXFG-YSGAUUIYSA-N 364.482 4.292 0 1 FIAF in-man Cc1ccc([C@@H]2OC(=O)O[C@@]3(c4ccc(C)cc4)CCN(C)C[C@H]23)cc1 36177287 BGZGKVAVORWNIY-RZUBCFFCSA-N 351.446 4.359 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@]12O 38697628 ALHFWFVPZTXDOE-WKPPJLGDSA-N 360.494 4.455 0 1 FIAF Cc1nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)no1 58581651 WVBMLCFPIVQVSC-UHFFFAOYSA-N 352.375 4.014 0 1 FIAF Cc1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)c1O 64526456 WTRGZQWCALKIIF-UHFFFAOYSA-N 357.207 4.264 0 1 FIAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)C4CCCC4)n3)ccc21 95755355 QEJGQECVPZBFQI-UHFFFAOYSA-N 369.490 4.238 0 1 FIAF Oc1ccc(OCCN(CCOc2ccc(O)cc2)c2ccccc2)cc1 96909378 IUVGEKJGVDLZDC-UHFFFAOYSA-N 365.429 4.062 0 1 FIAF Cc1cnc(N2C(=O)CS[C@@H]2c2cc3ccccc3nc2S)s1 103175752 OJCFWNQQGQKQAI-OAHLLOKOSA-N 359.501 4.067 0 1 FIAF CC1=C(C(=O)Nc2ccccc2Cl)[C@@H]([C@@H](C)c2ccccc2)NC(=O)N1 103196570 FYCUDLOVPMWADZ-KPZWWZAWSA-N 369.852 4.038 0 1 FIAF CCOC(=O)/C(=C/c1cccc(Cl)c1)CSc1nc(C)cc(C)n1 169308083 BTCLPNFZFNORBW-OQLLNIDSSA-N 362.882 4.486 0 1 FIAF O=C(NCc1c(Cl)cc(Cl)cc1C1CC1)[C@@H]1COc2ncccc21 205615907 WWPUQDAHZIEYBE-OAHLLOKOSA-N 363.244 4.058 0 1 FIAF O=C(N[C@@H]1CCc2cc(Cl)cc(Cl)c21)[C@H]1CCOc2ncsc21 223965795 OLPOMNJRPMMVAZ-CMPLNLGQSA-N 369.273 4.120 0 1 FIAF CCCC[C@H](O)CSC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 253685130 HUOIPUKSNAXOPY-QKXMGWPDSA-N 370.555 4.266 0 1 FIAF COC(=O)c1ccnc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 587015366 BHHHMAXDNYBTIV-UHFFFAOYSA-N 370.821 4.188 0 1 FIAF Brc1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2n1 587021985 MYICMPQTNDGTIU-UHFFFAOYSA-N 371.263 4.435 0 1 FIAF Cc1ccc(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1C(F)(F)F 587095624 NLKLDCIAKQUPPC-UHFFFAOYSA-N 361.367 4.183 0 1 FIAF N=c1[nH]c2nc(/C=C\c3ccc(SC(F)(F)F)cc3)nc-2c(Cl)[nH]1 587126305 XDJMCPINJWLOSX-UTCJRWHESA-N 371.775 4.153 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc4ccccc4c3N)nc2c1 587253537 BVXJYRGHEUCISF-UHFFFAOYSA-N 351.793 4.405 0 1 FIAF CC(C)N(C)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332214 CQJXEPFXMAEMTK-IFMALSPDSA-N 371.452 4.379 0 1 FIAF COc1c(Br)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587374956 ANSNXSMHNPDABU-HNNXBMFYSA-N 362.223 4.055 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3cc4c(cc31)CCCC4)O2 587407540 CGMLKCXLHFFUKI-HSZRJFAPSA-N 363.457 4.489 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2c(C(=O)O)cccc21 587408967 RWWIEZMGBZYRCF-QHCPKHFHSA-N 371.392 4.165 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)nn1CC)CC2=O 587464770 XXKFTGGUDGZLAD-OAHLLOKOSA-N 368.355 4.286 0 1 FIAF CC1(C)c2ccccc2-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc21 587562283 UUXOFEOWNJMBEE-UHFFFAOYSA-N 355.397 4.409 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCc1ccccn1 587585616 FGZQRTRHYBCRPN-UYAOXDASSA-N 361.397 4.140 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCCc1c[nH]cc12 587586690 CTKNBMSXHFLCEA-KNQAVFIVSA-N 361.397 4.304 0 1 FIAF CCc1cccnc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587940 OSCASWFPRUHIOH-XMSQKQJNSA-N 361.397 4.227 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCO2 587612477 UXMNKYCRINGHKG-SIKLNZKXSA-N 360.365 4.030 0 1 FIAF COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2ccc(F)c(Cl)c12 587629638 VETAQUWFHIEQSH-UHFFFAOYSA-N 367.710 4.261 0 1 FIAF CC(C)CC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814930 WVJUVVHQBVWGMA-PIGZYNQJSA-N 356.279 4.343 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H]2CCCCC2=O)N1 587824216 VOBVHHGZMXMOME-SOZUMNATSA-N 368.290 4.487 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC2CCOCC2)N1 587835505 PEVPJRNJOAEURS-PIGZYNQJSA-N 356.279 4.370 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Cl)s2)N1 587851836 CUSKCERHXXKWSX-INWYIAFRSA-N 361.667 4.322 0 1 FIAF COc1cc(O)cc(-c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)c1 587931252 GIUPIYZHPIPDAI-UHFFFAOYSA-N 352.781 4.055 0 1 FIAF CC1(C)CC(NCc2ccccc2)=C[C@]2(C1)NCCc1nc3ccccn3c12 962982698 JFYCNNKQZYDVKL-XMMPIXPASA-N 372.516 4.169 0 1 FIAF Cc1ccc(-c2ccc3c(c2)c(C(=O)C(=O)N2CCCCC2)cn3C)cc1 1772579338 NCGVANWQSJTSTK-UHFFFAOYSA-N 360.457 4.349 0 1 FIAF Cc1noc(-c2cccc(-c3csc(=Nc4ccccc4F)[nH]3)c2)n1 2382217125 NKXKABIEHPIKKY-UHFFFAOYSA-N 352.394 4.473 0 1 FIAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4206746 WVMBXRADAGOVKS-PKOBYXMFSA-N 356.853 4.348 0 1 FIAF COc1ccc([C@H]2C(=O)c3ccc(OC)cc3O[C@@H]2c2cccnc2)cc1 13220585 QBKCEPIJQDHOSD-RBBKRZOGSA-N 361.397 4.199 0 1 FIAF FC(F)(F)n1cnc2c(NCc3ccc(Cl)cc3)nc(Cl)nc21 26643911 QPIGTBOGQNPCIF-UHFFFAOYSA-N 362.142 4.222 0 1 FIAF N=C(N)c1ccc2oc(/C=C/C=C/c3cc4cc(C(=N)N)ccc4o3)cc2c1 27888341 XPVCJOTUAVNCMD-ZPUQHVIOSA-N 370.412 4.474 0 1 FIAF COc1cc(C(=O)c2c[nH]c3cc(OC(C)C)ccc23)cc(OC)c1OC 28456838 XTMDNJLCSUKATI-UHFFFAOYSA-N 369.417 4.212 0 1 FIAF CCC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 29039037 NXJWSNFSZYTHBC-UHFFFAOYSA-N 373.456 4.214 0 1 FIAF O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)nn(-c2ccccc2)c1O 40914476 CLALXIQFLZLEPX-UHFFFAOYSA-N 366.726 4.481 0 1 FIAF CS(=O)(=O)Nc1cc(-c2ccncc2)cc(-c2cccc3[nH]ccc23)c1 59259412 KYMKSLJNTFZZCV-UHFFFAOYSA-N 363.442 4.268 0 1 FIAF Cc1nc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n(C)n1 64235697 GMDHUVZYMRKGIE-UHFFFAOYSA-N 362.458 4.186 0 1 FIAF Cc1cccc(C)c1Nc1nnc([C@H](O)c2cc(F)c(F)c(F)c2)s1 82078544 IZPIIXHUADGMOZ-OAHLLOKOSA-N 365.380 4.398 0 1 FIAF CCN(Cc1ccccc1)C(=O)c1cnc(N(C)CC)nc1-c1ccccc1 82134286 PPULJYSYPLMCMM-UHFFFAOYSA-N 374.488 4.262 0 1 FIAF CC(=O)c1c(Nc2ccc(F)cc2F)[nH]c2c(F)ccc(F)c2c1=O 84603410 WRYLOXZGRBUUOE-UHFFFAOYSA-N 350.271 4.031 0 1 FIAF COc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1CC2 100620755 IETKKGQMIGSURM-DENIHFKCSA-N 360.457 4.288 0 1 FIAF O=C1[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)CCCN1Cc1ccccc1 103282705 JUCFSJPYMAGOEA-MAUKXSAKSA-N 364.272 4.466 0 1 FIAF CN(CCCCCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1 169339966 GPZXZNYCPRXELC-UHFFFAOYSA-N 367.537 4.211 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C(Br)=CC3 586984971 CJFORZMBCXEFJU-UHFFFAOYSA-N 364.198 4.444 0 1 FIAF Cn1ncc(Cl)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985442 HKQCCHNDJDCECB-UHFFFAOYSA-N 361.788 4.206 0 1 FIAF Nc1c(F)c(F)cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1F 587136512 JRKSURVSXHOXAK-UHFFFAOYSA-N 367.330 4.460 0 1 FIAF O=C(CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)Nc1cccc(F)c1 587161809 FBFAINGKLFWDFJ-UHFFFAOYSA-N 369.293 4.431 0 1 FIAF Fc1ncc(Br)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587178014 LWUKIUWBTPWDGY-UHFFFAOYSA-N 364.071 4.083 0 1 FIAF COC(=O)c1cccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587243820 IULAJWPQNATCOY-UHFFFAOYSA-N 371.396 4.269 0 1 FIAF CCOC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346463 BWFMPTZOAPCWIA-LVWPNOBMSA-N 370.420 4.466 0 1 FIAF C[C@]1(C[C@@H]2CCCCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351215 ZGSCRNKKMJCMIQ-XUEUYAKLSA-N 369.436 4.181 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](OCc3ccccc3)C[C@@H]1F)O2 587383371 SHDBOXDBPDVPOH-XUEUYAKLSA-N 369.436 4.389 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccccc1C(C)C)O2 587387649 QZBCZWSMZVLMQJ-QFIPXVFZSA-N 366.461 4.453 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCSc4ccc(Cl)cc41)[C@@H](C2)C3=O 587454555 YOORXWZGNKEVRW-IFXJQAMLSA-N 358.846 4.487 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](c3ccnn3C)C1)CC2=O 587473960 AVONIEJPKUSHQO-LHSJRXKWSA-N 354.450 4.140 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc(N3CCCC3)c1)CC2=O 587475418 OCSXBTYRWBYSBA-LJQANCHMSA-N 352.434 4.046 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CP(=O)(OCC)OCC)CC2=O 587489439 UYCBTMAXFOXCSR-SFHVURJKSA-N 370.382 4.335 0 1 FIAF COc1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587571346 NDAJACUXJXXSGD-WIYYLYMNSA-N 366.344 4.243 0 1 FIAF CC(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)co1 587587963 QTAIAQDFMJBGIQ-QFBILLFUSA-N 351.358 4.207 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(F)cc32)N1 587734893 SKAUQCKCGQLAOI-MGNBDDOMSA-N 364.233 4.451 0 1 FIAF CCCC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587815915 RFQGZPQOJZVZCO-ADLMAVQZSA-N 368.290 4.487 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCOC3)CC2)N1 587836348 SVBCPWNYHMXKKP-RGZNSWCXSA-N 368.290 4.298 0 1 FIAF CCOc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587856742 XPMOQCAMVNDFES-RTHLEPHNSA-N 371.275 4.067 0 1 FIAF COCCn1c(C)c(C)c([C@H]2c3cc(OC)ccc3CCN2C(C)C)c1C 962089483 JUIYJWVSZRELGS-HSZRJFAPSA-N 370.537 4.424 0 1 FIAF O=C(O)c1cccc(Cc2c(-c3cccs3)nn3cc(Cl)ccc23)n1 1772601421 JWQTXWDAUYQZIY-UHFFFAOYSA-N 369.833 4.400 0 1 FIAF COC1CCN(Cc2cc(-c3ccc(C)nc3)n(C3CCCCC3)n2)CC1 1857590101 RFNPVVLDPCWOES-UHFFFAOYSA-N 368.525 4.370 0 1 FIAF Cn1cc(C(=O)Nc2ccc3n[nH]cc3c2)c2ncc(-c3ccccc3)cc21 1857617386 OCRAROWOEILBMO-UHFFFAOYSA-N 367.412 4.369 0 1 FIAF CC(C)c1cc2cccc(-c3nnc(C4CCN(C(C)C)CC4)o3)n2n1 1857761598 AHDPHZHUFJVOFR-UHFFFAOYSA-N 353.470 4.096 0 1 FIAF COc1cc(C=CC(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1OC 2356645167 HOEXVZGRLZDKIW-FXCLAUTBSA-N 374.477 4.484 0 1 FIAF O=C(c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1)N1CCOCC1 6798778 LQINJUZQERTMGM-UHFFFAOYSA-N 372.877 4.445 0 1 FIAF CNCCC(=O)N1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@H]1C 28771240 YCLPCWPHUSRTMT-CYBMUJFWSA-N 355.869 4.051 0 1 FIAF COc1cc2c(cc1OC)-c1n[nH]c(-c3cnc(Cl)c(Cl)c3)c1C2 28954416 KQVLVCFNFVOFNV-UHFFFAOYSA-N 362.216 4.367 0 1 FIAF COc1ccc(C[C@@H]2CCCCN2C(=O)c2cc3ccc(O)cc3[nH]2)cc1 35259669 IWGJPRKQGUYSRA-KRWDZBQOSA-N 364.445 4.120 0 1 FIAF Cc1ccc([C@H]2OC(=O)O[C@@]3(c4ccc(C)cc4)CCN(C)C[C@H]23)cc1 36177281 BGZGKVAVORWNIY-KCZVDYSFSA-N 351.446 4.359 0 1 FIAF CCCc1cc(OC)c(C[C@@H]2c3cc(O)c(C)cc3CCN2C)cc1OC 45335138 GDOQYCOTOFAPGF-HXUWFJFHSA-N 369.505 4.442 0 1 FIAF C[C@@H]1CN(Cc2cccn2-c2cccnc2)Cc2cc(Cl)ccc2O1 67820168 RZYZMYIBQGGOSD-OAHLLOKOSA-N 353.853 4.309 0 1 FIAF COc1ccc(CS/C=C/C[S@@](=O)Cc2ccc(OC)cc2)cc1 73197642 UWKWFEJGMAIOMN-YCDBXGQUSA-N 362.516 4.400 0 1 FIAF N[C@H]1CCC[C@@H](N(C(=O)c2ccccc2OCc2ccccc2)C2CC2)C1 96286347 UBPMUVUPPLAPAB-AZUAARDMSA-N 364.489 4.140 0 1 FIAF COc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccc(F)cc1)S3 98082445 QURHTZRLFFSFSI-UHFFFAOYSA-N 352.394 4.290 0 1 FIAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2ccc(C)o2)C[C@H]1C 104107147 GHRDEVMKZMPGFZ-XTDINYQCSA-N 366.417 4.468 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC=C2n1ccnc1 146035561 NLDGLVBSROWOEB-SPAGYVKCSA-N 351.494 4.023 0 1 FIAF Cc1ccc(-c2csc3ncc(C(=O)NCCc4ccccc4)n23)cc1 299837289 PVQNXAVFYDSVKV-UHFFFAOYSA-N 361.470 4.344 0 1 FIAF CCOC(=O)c1oc2ccccc2c1Nc1cc(OC)c(OC)c(OC)c1 299851389 FXNMKGWBAZMJBR-UHFFFAOYSA-N 371.389 4.379 0 1 FIAF O=C(O)c1cc(Cc2ccc(O)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 299860918 JYDFQYKUUSMRDX-UHFFFAOYSA-N 363.200 4.174 0 1 FIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccc(Cl)nc3[nH]2)c1 586916214 WWSJDGJUGAOBLY-UHFFFAOYSA-N 365.776 4.380 0 1 FIAF COc1ccc2c(C)c(CCc3nc4cccc(C)c4[nH]3)c(=O)oc2c1C 586917410 BGUYJQHXHUPIRY-UHFFFAOYSA-N 362.429 4.388 0 1 FIAF O=C(c1ccccc1)c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 586918444 MSNJFWKQRKUYME-FQEVSTJZSA-N 356.381 4.306 0 1 FIAF Cc1ccncc1Cc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586988698 WNLXZUYQQGGZSL-UHFFFAOYSA-N 352.393 4.446 0 1 FIAF Nc1ncc(Cl)nc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587086382 HZSAKPBSLIUQCZ-UHFFFAOYSA-N 353.838 4.407 0 1 FIAF N[C@H]1CC[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587246741 MJSNHSBRNFPACI-JSGCOSHPSA-N 372.266 4.109 0 1 FIAF NC1CCC(c2nc3c(Br)ccc(Br)c3[nH]2)CC1 587256239 CMCATPQNISXRJX-UHFFFAOYSA-N 373.092 4.073 0 1 FIAF O=C(CCC1CCCC1)c1c(CO)oc2cc(Br)cnc12 587273601 MOJAOIJSTRVNLB-UHFFFAOYSA-N 352.228 4.236 0 1 FIAF CO[C@]1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C 587353668 RPTREOJIODQMLP-STZQEDGTSA-N 370.420 4.464 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1N1C[C@H](C)C[C@@H](C)C1)O2 587396274 RIDPTMDOTNLDRF-ZDRLFVKYSA-N 356.510 4.202 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1csc(Br)n1)CC2=O 587493755 HQXXJILOBOGGPW-CYBMUJFWSA-N 368.252 4.270 0 1 FIAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC(C)=O 587522099 DXMSTYWPYYDEET-HXUWFJFHSA-N 366.413 4.206 0 1 FIAF C[C@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591629 DFZYPNHKGFUXKV-SIKLNZKXSA-N 362.381 4.192 0 1 FIAF COc1ccc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587598055 AGPKUNFRINBVFH-UGKGYDQZSA-N 362.381 4.412 0 1 FIAF CC(C)(CCC(=O)O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603304 LTPJREGDHSBDAJ-UTKZUKDTSA-N 370.401 4.004 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(C2CC2)N1 587769516 GOIWDCVBNUDNOR-ADLMAVQZSA-N 361.258 4.171 0 1 FIAF CCCCc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790213 IFGVFKPNGUBRIM-BTDLBPIBSA-N 366.278 4.278 0 1 FIAF CC(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587813109 ASFVQEBRIQVEPS-XTZNXHDOSA-N 362.242 4.414 0 1 FIAF Cc1ccccc1C(=O)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587816112 UNYZXUGWLCPFLV-DIFFPNOSSA-N 362.242 4.355 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CCC2(C)C)N1 587818692 FGOVANVJIOAGSF-BMLIUANNSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCSCC2)N1 587857991 NRPVQQNREHZQKP-QLJPJBMISA-N 358.320 4.481 0 1 FIAF CCCCNS(=O)(=O)c1ccc2nc([C@H](CCC)C(C)C)[nH]c2c1 587955876 LPTURUJJAMMHTI-OAHLLOKOSA-N 351.516 4.181 0 1 FIAF CC[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 1772603754 OXEPCEKHFXSYBU-QJPTWQEYSA-N 374.433 4.144 0 1 FIAF Nc1nccc(-c2c[nH]c3ncc(-c4ccc(C(F)(F)F)cc4)cc23)n1 1772631501 AJXGHWYKQWIXBJ-UHFFFAOYSA-N 355.323 4.288 0 1 FIAF CC[C@@H](C)NC(=O)c1c(-c2cc(Cl)c(OC)c(Cl)c2)noc1C 3030961 SBQZGUJLKHCUAP-MRVPVSSYSA-N 357.237 4.494 0 3 FIAF CN1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1cccc(Oc2ccccc2)c1 4563478 HAYXKGQPAYZVIE-LEWJYISDSA-N 373.408 4.474 0 1 FIAF CC1=C(C(=O)Nc2ccccc2Cl)[C@H]([C@@H](C)c2ccccc2)NC(=O)N1 103196568 FYCUDLOVPMWADZ-SGTLLEGYSA-N 369.852 4.038 0 1 FIAF Cc1cnc(N2C(=O)CS[C@H]2c2cc3ccccc3nc2S)s1 103175751 OJCFWNQQGQKQAI-HNNXBMFYSA-N 359.501 4.067 0 1 FIAF C[C@@]12CCCC(COC(=O)Cc3ccccc3)=C1C(=O)O[C@H]2c1ccoc1 103206619 IGNHEUSECLLHOA-RBBKRZOGSA-N 366.413 4.150 0 1 FIAF Nc1ccc(-c2nc3ccccc3s2)c(I)c1 27080686 TVBJRQQWAZVBAA-UHFFFAOYSA-N 352.200 4.150 0 1 FIAF COCc1cccc(-c2csc([C@@](C)(O)c3ccc(OC)cc3)n2)c1 61904447 QOQCRNSZNFPIIG-FQEVSTJZSA-N 355.459 4.221 0 3 FIAF O=C1C[C@@H]2c3ccccc3O[C@@H]3c4ccc(O)cc4-c4c(O)cc(O)c1c4[C@H]23 2356480143 QPKCEEFQPFTYIX-ODMCQALKSA-N 372.376 4.371 0 1 FIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H](C)[C@@]23CCC(=CC(=O)O)O3)C1(C)C 2356571967 LLSQOJBRINBUMN-LXSQJYLVSA-N 364.482 4.308 0 1 FIAF CC(C)[C@H](c1ccc2cc(OCC(F)(F)F)ccc2c1)n1ncnn1 72315633 AIOINVRWUCXVAK-MRXNPFEDSA-N 350.344 4.013 0 1 FIAF N=C(N)SCc1cccc2sc3cccc(CSC(=N)N)c3c12 84690751 DVMHUQSGVOMRKB-UHFFFAOYSA-N 360.533 4.308 0 1 FIAF C/N=c1\[nH]c2cnc(Nc3ccc(F)c(Cl)c3)cc2n1Cc1ccco1 82083247 HQXOHSCYITVDMX-UHFFFAOYSA-N 371.803 4.072 0 1 FIAF O=C(c1ccccc1-c1cccnc1)N1CCc2c([nH]c3ccccc23)C1 40848169 JERHCSTUGOSPGN-UHFFFAOYSA-N 353.425 4.428 0 1 FIAF c1ccc(CN2CCC(Nc3ncnc4c3Cc3ccccc3O4)CC2)cc1 49807578 XOSDLGHUOOXINO-UHFFFAOYSA-N 372.472 4.250 0 1 FIAF COc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)c(OC)c1 225190039 JVCYLDCJOWYKOA-UHFFFAOYSA-N 368.477 4.417 0 1 FIAF O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 261112145 IFUDRLSXETXJHT-BBTUJRGHSA-N 352.522 4.399 0 1 FIAF Fc1cccc(CN[C@H]2CCCn3nc(COc4ccccc4)cc32)c1 299834641 BTTNJTKXLSHRFB-FQEVSTJZSA-N 351.425 4.226 0 1 FIAF CCCC/C=C/c1cn2c(NC(=O)Cc3cccc(OC)c3)cnc2cn1 653665399 SCNQHBDGIBNBPM-RMKNXTFCSA-N 364.449 4.123 0 1 FIAF COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587805818 GFKBJFWATWENFA-DYZYQPBXSA-N 350.231 4.220 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC4CCCC4)cc1O)[C@@H](C2)C3=O 587442564 LSWPQJLBMNURBL-HTAPYJJXSA-N 366.413 4.211 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3=O)cc1)CC2=O 587473904 CUEHKXGTBMFYJU-HXUWFJFHSA-N 365.429 4.178 0 1 FIAF CCOc1n[nH]c(-c2nc3cc(C)cc(Br)c3[nH]2)c1Cl 587064994 JVWXCDJXQUQCSO-UHFFFAOYSA-N 355.623 4.076 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(C(C)(C)c1cccnc1)O2 587396319 ZDTNARJLFPNTNI-HSZRJFAPSA-N 373.456 4.206 0 1 FIAF COc1cc(F)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587727070 AAQXNLZPBQSFOC-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3ccccc23)N1 587792276 HRKCYFAYGBXMIM-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF CCOc1cc(/C=C\c2nc3c(Cl)ncnc3[nH]2)ccc1OC(F)F 587129670 FIGPXWSLCOOFNQ-XQRVVYSFSA-N 366.755 4.177 0 1 FIAF CO[C@]1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C 587353671 RPTREOJIODQMLP-VLCRHTCISA-N 370.420 4.464 0 1 FIAF O=S(=O)(O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587054247 NNCKDPZDSJKTHI-QPJJXVBHSA-N 369.229 4.287 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4cccc5c4c(c3CC[C@H]21)CC5 587211502 FWZDAPQOEYAUGP-FUHWJXTLSA-N 350.462 4.373 0 1 FIAF C[C@@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)C=C(c2ccccc2F)NO1 587156075 LOPIGMZYTHUEKZ-INIZCTEOSA-N 365.195 4.195 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@]2(C(=O)O)CC[C@@]1(C)C2(C)C 587489593 OEYHNTUDIPRTBE-BHDDXSALSA-N 372.461 4.350 0 1 FIAF O=S(=O)(O)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587967413 HQWUBNRRNGXVHL-FLIBITNWSA-N 350.399 4.133 0 1 FIAF COC(=O)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587049484 LYMPNXMQKSLDGC-BDAKNGLRSA-N 362.216 4.322 0 1 FIAF COc1ccc(-c2noc(C)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587396182 XJBCXDYZJPJYJC-SFHVURJKSA-N 364.401 4.256 0 1 FIAF O=C1C[C@H](c2ccc(Br)cn2)Oc2c1ccc1c2CCCC1 587495924 GWQWNDHYHDXRJG-QGZVFWFLSA-N 358.235 4.429 0 1 FIAF COc1cc(C)c(N)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 587249571 OLEAWJIQGMGFHU-UHFFFAOYSA-N 350.191 4.031 0 1 FIAF O=C(O)c1cccc2c1CCN[C@@H]2c1cc(-c2ccccc2)cnc1Cl 963124407 QFCFREJNMFPKLR-IBGZPJMESA-N 364.832 4.335 0 1 FIAF COc1ccc2c(c1)[C@H](c1cncc(C)n1)N(Cc1ccc(F)cc1)CC2 963304712 VEYWZJASFOLFKZ-JOCHJYFZSA-N 363.436 4.080 0 1 FIAF CC(C)(CCO)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12 202490600 AOCAWQPFJXXOHX-UHFFFAOYSA-N 355.869 4.123 0 1 FIAF Cc1nc(C(=O)NCCC(C)C)sc1[C@]1(C)CC(c2ccccc2)=NO1 13478254 SRAYPXCUTOEYLC-FQEVSTJZSA-N 371.506 4.267 0 3 FIAF CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2C)cc1 775268 AYAVKBLXBWOERO-UHFFFAOYSA-N 368.408 4.160 0 1 FIAF CCC=CCC=CC[C@@H](O)[C@H](O)C=CC=CC=CCC=CCCC(=O)O 2356339877 ALWYOLKNLLFCAY-NHCUHLMSSA-N 360.494 4.491 0 1 FIAF CSC=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3[C@@H](O)[C@H]2C1 2356376230 PCGQGFYOHXONPG-KUPRSHKKSA-N 350.480 4.018 0 1 FIAF CC[C@H]1[C@@H]2[C@H]3Cc4ccc(OC)cc4[C@]2(CCN3CC2CC2)CC(=O)[C@@H]1C 101800535 OQUJWCCEFSDNKI-YQUYRBCTSA-N 367.533 4.225 0 1 FIAF O=S(=O)(c1ccccc1)N1N=C2CCCC[C@@H]2[C@H]1c1ccc(F)cc1 58603151 ZSNSJUREWIYXSW-PKOBYXMFSA-N 358.438 4.118 0 1 FIAF COc1ccc2c(C)c(C(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1 53298591 CXXYTAUOLQTQDS-UHFFFAOYSA-N 372.442 4.475 0 1 FIAF Oc1ccc2[n+](c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2ccccc21 100722014 ZIZMWGCEYKQJEU-VXKWHMMOSA-O 356.401 4.290 0 1 FIAF CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]2C(=O)O 104701331 QPQWEZDEJJESTO-UGQVUOCMSA-N 367.367 4.337 0 1 FIAF Nc1ccc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)cc1 28571992 JYDZVUWVVASPRQ-UHFFFAOYSA-N 367.405 4.040 0 1 FIAF O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1ccccc1F 28889289 HCQGGYRWBPHDIG-JXMROGBWSA-N 357.381 4.363 0 1 FIAF COc1cc([C@@H](O)c2nc(-c3ccc(N(C)C)cc3)cs2)ccc1F 61904197 HBWBLYCZCHOALR-GOSISDBHSA-N 358.438 4.106 0 3 FIAF COc1cccc(Nc2cc(C(F)(F)F)nc([C@H]3CCCCN3)n2)c1 34021827 CVAQEZWZWFONDL-CYBMUJFWSA-N 352.360 4.062 0 1 FIAF CC(C)CCn1cc(C2=NS(=O)(=O)c3ccccc3N2)c2ccccc21 73351244 VIAVCJSHFBGZPS-UHFFFAOYSA-N 367.474 4.248 0 1 FIAF NC(=O)c1cccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)c1 144728334 XGBUELJHDFTPHV-FQEVSTJZSA-N 369.342 4.231 0 1 FIAF C[C@H](C(=O)N[C@H]1COc2ncccc21)c1cccc(C(F)(F)F)c1Cl 146504015 CGZWZKJDTFHJQE-ZANVPECISA-N 370.758 4.107 0 1 FIAF C[C@@H]1CC[C@@H]2[C@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32O4 253683640 CEQYMIBPHSHBNB-DPMBFAGESA-N 356.462 4.076 0 1 FIAF CO[C@H]1CC[C@H](C(=O)N2CC[C@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 473183113 MQTTVQMAXLFPBX-VPTAFFCTSA-N 355.522 4.333 0 1 FIAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587951147 JOEFEAOSPCZLBP-UHFFFAOYSA-N 350.418 4.267 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC2CCOCC2)N1 587833355 GCGZREPFVUETAJ-XHDPSFHLSA-N 356.279 4.370 0 1 FIAF COc1ccc(OC)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525562 PXHPTTZHTVBOPT-QFIPXVFZSA-N 352.430 4.463 0 1 FIAF O=C1CCC(c2ccccc2)(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 587971227 WQBKGZJHEBNGJU-UHFFFAOYSA-N 370.355 4.314 0 1 FIAF CCCCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587441678 LUQIPKUVPZRQQW-ZHRRBRCNSA-N 368.429 4.371 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(Cl)ncn1 587864063 CBCBBKMXZAXDIW-UHFFFAOYSA-N 368.746 4.400 0 1 FIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Cl)nc3[nH]2)cs1 587019825 XDQQDYZUPSSQJV-UHFFFAOYSA-N 365.846 4.006 0 1 FIAF CCOCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587826894 GNVPKIKEMHMCNX-DYZYQPBXSA-N 368.246 4.341 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nc[nH]c3c2)N1 587803366 PODRUAPMUJGBFU-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF COc1cc(Cl)ccc1-c1nc2ccc(Br)c(O)c2[nH]1 587066159 GMPBBTBZLZAOQR-UHFFFAOYSA-N 353.603 4.360 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@H]1C(=O)OCC)CC2=O 587482607 UQCKDBGHMFJFDF-HRAATJIYSA-N 360.450 4.192 0 1 FIAF Oc1nc2cc3nc(CN(Cc4ccccc4)c4ccccc4)[nH]c3cc2[nH]1 587196062 NQVCEJLIGWUOEJ-UHFFFAOYSA-N 369.428 4.352 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N(CC)CC)s1)CC2=O 587494558 KUJOLHASJOXDPZ-INIZCTEOSA-N 360.479 4.354 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2ccccc2F)N1 587729618 WDDBGLCZWOWTSC-QMTHXVAHSA-N 368.221 4.382 0 1 FIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Cl)ccc(F)c12 587510854 XPBALYSSNRPBHJ-FQEVSTJZSA-N 371.795 4.171 0 1 FIAF COc1ccc(OC(C)(C)C)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587945149 LHPMVCVYFIIRGU-AWEZNQCLSA-N 354.353 4.296 0 1 FIAF N[C@@H](Cc1cccc(Br)c1)c1nc2cnc3ccccc3c2[nH]1 586983363 BFTPXAVPBBLSEA-AWEZNQCLSA-N 367.250 4.116 0 1 FIAF Cc1cc(Br)cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 587153839 ANPDXWXBXPYZHK-PXAZEXFGSA-N 360.230 4.114 0 1 FIAF O=C1CC2(CC2)C[C@@]2(C1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962626358 GVFJYYPEFFUWEM-OFVILXPXSA-N 372.512 4.162 0 1 FIAF C[C@H](C[C@@]1(c2ccccc2)c2c(F)cccc2C[C@H]2CCCN21)C(=O)O 963106809 NQWANKKPMLGBGB-YBOAYWMSSA-N 353.437 4.201 0 1 FIAF Oc1ccccc1Cc1cccc(-c2ccc(OCC(F)(F)F)nc2)n1 1772592684 NUZAGLSNHOZAOC-UHFFFAOYSA-N 360.335 4.381 0 1 FIAF CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 13302725 MVSNOMINTBGJOH-STZQEDGTSA-N 372.461 4.220 0 1 FIAF biogenic,in-vitro O=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccccc3)cc1n2C1CC1 13980363 IGLVERVMCZAZHD-UHFFFAOYSA-N 352.390 4.046 0 1 FIAF C[C@H](C[18F])OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N(C)C2 169292584 ZSLWUVZDXDAKIP-FRTKIIGSSA-N 352.868 4.055 0 1 FIAF CCN(CC)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ccc2c1 205431354 DDUXHCSLCIVKQU-UHFFFAOYSA-N 360.417 4.323 0 1 FIAF CC[C@@H]1C(c2ccc(C(F)(F)F)cc2)=C(O)C(=O)N1Cc1ccncc1 1857652048 NYBHFXSQXDWEIP-OAHLLOKOSA-N 362.351 4.191 0 1 FIAF CCCC(=O)c1cnc2c(CO)cccc2c1Nc1ccc(O)cc1C 603455 ZKYFHAWQHKYTSK-UHFFFAOYSA-N 350.418 4.468 0 1 FIAF CC1(C)c2ccccc2C(C)(C)[C@H](C(=O)Nc2ccccc2)[C@H]1C(=O)O 1619898 HDLLAELPXJDNCH-ROUUACIJSA-N 351.446 4.211 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OCC)cc1 4049543 UIQLNZVJILJJRQ-FPOVZHCZSA-N 366.461 4.093 0 1 FIAF CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NC1CCCCC1 5414284 BYCCHNRJBJTSNX-WMZOPIPTSA-N 374.500 4.153 0 1 FIAF biogenic CCc1c(Sc2ccccc2)n(C/C=C/c2cccs2)c(=O)[nH]c1=O 6424970 LGBXPEBWNHODMP-UXBLZVDNSA-N 370.499 4.025 0 1 FIAF Fc1ccccc1-c1nnc(CN2CCC(Cc3ccccc3)CC2)o1 6823403 GJPWJMVQVKYIMP-UHFFFAOYSA-N 351.425 4.330 0 1 FIAF C[C@H]1CC[C@H](C)N1CCCNC(=O)C(c1ccccc1)c1ccccc1 13755518 QTFOYIFTXHRBDC-OALUTQOASA-N 350.506 4.198 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3c([nH]c4ccc(Cl)cc4c3=O)C2)cc1 27086863 RDWTVRKFPURDIF-LBPRGKRZSA-N 353.805 4.103 0 1 FIAF CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1 27187476 AAYTUXCYPCIBAM-UHFFFAOYSA-N 358.873 4.213 0 1 FIAF CC[C@@H](Oc1ccc(CC(=O)Nc2cc(C)cc(Cl)c2)cc1)C(=O)O 27524960 FMKUWRHBFCVKLB-QGZVFWFLSA-N 361.825 4.072 0 1 FIAF CN1C(=O)CN2C(Cl)(Cl)[C@@]2(c2ccccc2)c2cc(Cl)ccc21 31851204 MBDAGNNYSNKUSM-XESZBRCGSA-N 367.663 4.007 0 1 FIAF CC(C)c1cccc(Nc2nnc([C@H](O)c3ccc4c(c3)OCO4)s2)c1 82082887 YGPIZUSMBAOQCP-QGZVFWFLSA-N 369.446 4.216 0 1 FIAF OCc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1 143187043 OZNYKUWGKVIPAK-UHFFFAOYSA-N 367.412 4.409 0 1 FIAF CNC[C@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 164862905 YOVKJYDIJCCSOV-LBPRGKRZSA-N 364.470 4.438 0 1 FIAF O=C1NCCc2[nH]c(-c3cccc4ccc(Oc5ccccc5)nc34)cc21 222402680 KYVNDWJWKGXGDI-UHFFFAOYSA-N 355.397 4.308 0 1 FIAF CC(=O)OC[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(C)=O 253654178 ZJNYSXYHIAEESM-YEIMGMBMSA-N 374.521 4.059 0 1 FIAF C=C1CC[C@H]2C(=O)O[C@H](c3ccoc3)C[C@]2(C)CC=CC=C1C(=O)OC 299814160 LXCZVMFGPWLGIO-WFXMLNOXSA-N 356.418 4.286 0 1 FIAF Oc1ccc(C2(c3nc4cccc(Br)c4[nH]3)CCOCC2)cc1 586912552 GWCLROMCJHZDHX-UHFFFAOYSA-N 373.250 4.128 0 1 FIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 586914568 UNNCIOIGUQTYAD-UHFFFAOYSA-N 370.368 4.208 0 1 FIAF O=C(O)c1cc(F)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006361 LIFGWGVVCDUQJL-UHFFFAOYSA-N 374.169 4.082 0 1 FIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F 587381236 DJWUQWRYAJMPNJ-INIZCTEOSA-N 363.360 4.284 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OC)c(Cl)c1)[C@@H](C2)C3=O 587421886 NSIKNGOAWUEUPD-APPDUMDISA-N 365.212 4.499 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1C(C)C)[C@@H](C2)C3=O 587433169 VPNXFHZGTCAZQH-GAJHUEQPSA-N 374.440 4.493 0 1 FIAF COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587506096 OZEKNLDKCSFPKA-LJQANCHMSA-N 354.377 4.198 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ncccc2o1 587589968 ZALIOAYAHYLPCH-GHTZIAJQSA-N 359.337 4.236 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2F)N1 587725212 CFZYLZDXVJUXGA-BCTVWOGZSA-N 356.185 4.490 0 1 FIAF Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587790047 GHGQLYWGAQTVNM-APPDUMDISA-N 351.263 4.331 0 1 FIAF CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 587807526 DKOIYBHGEFEKME-XNAIMREJSA-N 368.290 4.297 0 1 FIAF CC(C)[C@H]1C[C@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587829363 BZUJYVHLKPQBOI-LQAWEQHXSA-N 356.279 4.153 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCO3)N1 587834902 NJGQAMOZRLPOQT-MLCYQJTMSA-N 362.242 4.147 0 1 FIAF Cc1cc(=N)[nH]c2cc(-c3ccc(OCc4cccnc4)c(CN)c3)ccc12 1857597652 RSZQDXJFSPTWRD-UHFFFAOYSA-N 370.456 4.055 0 1 FIAF O=C(Nc1ccc(Cl)cc1)N1CCc2[nH]nc(-c3ccccc3)c2C1 2382234174 BXVVORDGDUNSPV-UHFFFAOYSA-N 352.825 4.320 0 1 FIAF Cc1ccccc1N1CCN(C(=O)N2CCCc3cc(Cl)ccc32)CC1 2382236737 IMMDJFFGIHKYFC-UHFFFAOYSA-N 369.896 4.343 0 1 FIAF COc1ccc([C@@](O)(c2ccc(C(F)(F)F)cc2)c2ccccn2)cc1 2382260194 ATAIQCHMXFWMDZ-IBGZPJMESA-N 359.347 4.393 0 1 FIAF Oc1cccc(-c2csc([C@](O)(c3ccccc3)C(F)(F)F)n2)c1 61896866 FBQDBTOQLBTYAW-MRXNPFEDSA-N 351.349 4.314 0 3 FIAF Oc1cccc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)c1 61896867 FBQDBTOQLBTYAW-INIZCTEOSA-N 351.349 4.314 0 3 FIAF Cc1ccc(CN2C(=O)COCc3cc(-c4cccc(CO)c4)ccc32)cc1 206017656 JQWASPDNYZNPKH-UHFFFAOYSA-N 373.452 4.218 0 3 FIAF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1 1494111 FRQKYYNHZICJDA-UHFFFAOYSA-N 363.465 4.347 0 1 FIAF C[C@@H]1CCC[C@@H](C)N1CCC(C(N)=O)(c1ccccc1)c1ccccc1 1655391 PSQWUJYJGGAOTN-RTBURBONSA-N 350.506 4.111 0 1 FIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCN(CC)CC 4212536 QLSHMMROZWYTAD-NHCUHLMSSA-N 373.541 4.159 0 1 FIAF COC(=O)c1cccc(C)c1[C@@H]1CN=N[C@@]12Cc1cc(C)cc(C)c1C2=O 5539655 JLDKIRQNTVTZJM-JTSKRJEESA-N 362.429 4.126 0 1 FIAF O=C([C@H]1[C@H]2CCCC[C@@H]2C=C[C@H]1c1ccc2c(c1)OCO2)N1CCCC1 6528370 QXSFPRUSCMGQOM-NKMKZGIRSA-N 353.462 4.114 0 1 FIAF biogenic COc1ccc(Oc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 13580941 UJFBIZDVIYZHRT-UHFFFAOYSA-N 354.410 4.113 0 1 FIAF CCCCCC[S@@](=O)C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28018868 DXUUKSQGPDLBMH-YKEVZQLOSA-N 370.555 4.310 0 1 FIAF CCc1c(F)c(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)CC3=O 29133198 DEZJJEIHHMAHCJ-VIFPVBQESA-N 358.365 4.032 0 1 FIAF C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)cc(CCC)c4c2O1)C(=O)[C@H](C)CO3 29133744 UIJRPYBDNDLRCA-FROLJDDGSA-N 366.413 4.307 0 1 FIAF CC[C@H](CN(C(C)=O)c1cccc(Cl)c1)OC(=O)NCc1ccccc1 34587408 LBGQLNJXOGXXON-LJQANCHMSA-N 374.868 4.398 0 1 FIAF Cc1cc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)nc(C)n1 40866487 OJVNIFZFJLCPRH-JCFBCRGFSA-N 357.523 4.106 0 1 FIAF Cc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1 40951365 KSZCLJVWTZYNHV-UHFFFAOYSA-N 358.275 4.333 0 1 FIAF Cc1cc2c(c(=O)[nH]1)-c1[nH]c3ccccc3c1CCN2CCc1ccccc1 43072330 BWGKFZUZSRUEHZ-UHFFFAOYSA-N 369.468 4.437 0 1 FIAF c1ccc(-c2ccc3[nH]cc(-c4ccc(N5CCNCC5)cc4)c3c2)nc1 73138054 QJWZUPUNSIBASL-UHFFFAOYSA-N 354.457 4.307 0 1 FIAF CC(C)Cn1ncn(-c2nc3c(s2)[C@H](C)Sc2sccc2-3)c1=O 73195693 JMPKGOWMQZZMAR-VIFPVBQESA-N 364.521 4.042 0 1 FIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3nc4ccccc4o3)C2)cc1 96172922 OJXVHYSVZYTFHY-CQSZACIVSA-N 350.418 4.178 0 1 FIAF COc1ccc(OC(=O)[C@@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@@H]2N3C)cc1 100728370 IUPUVKOJONOTAC-KVJIRVJXSA-N 365.473 4.176 0 1 FIAF Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@@]23CCN1CC[C@@H](O)c1ccco1 100895350 QKTRBTWYSXCKTF-ZZLPTCMGSA-N 367.489 4.167 0 1 FIAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@@]2(C)CO[C@H](O3)O2)cc1 101364389 NGUSEKDHYWDTPQ-WOJBJXKFSA-N 355.390 4.359 0 1 FIAF O=C(c1ccncc1)N1N=C(c2ccccn2)C[C@@H]1c1ccccc1Cl 102232438 UESKQQRJTYTMNI-LJQANCHMSA-N 362.820 4.122 0 1 FIAF COc1ccc2c(c1)CCCN(C(=S)NCCc1ccc(Cl)cc1)C2 140594698 VPDQABIDCZDNOE-UHFFFAOYSA-N 374.937 4.214 0 1 FIAF COc1cccc(-c2ccnc3nn(-c4ccc(Cl)cc4)c(O)c23)c1 226854572 DDVSZCQGRREZSC-UHFFFAOYSA-N 351.793 4.455 0 1 FIAF COc1ccccc1[C@]1(C)CCn2nc(COc3ccccc3)cc2C1=O 299838619 NDYXDJVELNSTTR-QFIPXVFZSA-N 362.429 4.015 0 1 FIAF CC(=O)c1ccc(-c2cccc(-c3nc4cccc(C(N)=O)c4[nH]3)c2)cc1 586881442 WLBZGRZSPSECFX-UHFFFAOYSA-N 355.397 4.198 0 1 FIAF Cc1ncn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C 586987706 RCLVIUBTNCRRMV-UHFFFAOYSA-N 355.397 4.013 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@@H]3SCCc4sccc43)nc12 587036580 GQVTUPFVWYCYDS-GFCCVEGCSA-N 366.309 4.469 0 1 FIAF COC(=O)[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587098760 UBNHTLZMDGLPQJ-ZDUSSCGKSA-N 357.409 4.033 0 1 FIAF COc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cn1 587125011 ZKHAHGFVFWEVRG-UHFFFAOYSA-N 369.368 4.299 0 1 FIAF N=c1cc(-c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc2[nH]1 587254263 QJVLZISALWOLDD-UHFFFAOYSA-N 357.186 4.092 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(Cc3ccccn3)c1C)O2 587389662 MPUFHFIFRZCCFD-OAQYLSRUSA-N 361.445 4.145 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1N1C[C@@H](C)C[C@@H](C)C1)[C@@H](C2)C3=O 587438562 QFXISERGZBFJQW-BLSLIUFWSA-N 369.505 4.102 0 1 FIAF COc1cc2c3c(c1)O[C@](c1c(N)sc(C)c1C)(C1CC1)[C@@H](C2)C3=O 587449868 FAVXPAWSJIUDAB-VBKZILBWSA-N 355.459 4.009 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3cn(C)nc3c1)CC2=O 587479758 USGMCEBNSNQLGF-OAQYLSRUSA-N 350.418 4.112 0 1 FIAF COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](N=O)C2 587506947 PBLFXYOSLXXWQR-UNMCSNQZSA-N 363.413 4.126 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587509402 CMZDVYPTIOLJFG-IVZQSRNASA-N 371.477 4.347 0 1 FIAF CCOC(=O)c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587515760 QVHSEYRPTUIVLL-JOCHJYFZSA-N 365.429 4.018 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3[nH]ncc3c2)N1 587794339 MKUQDIXVONGOKL-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF CCC[C@H](O)[C@]1(CCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587828772 VGFNDIFHKWCQQG-MZPVMMEZSA-N 358.295 4.279 0 1 FIAF Cc1ccc(O)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587834390 RUGIVXQSSQLZMW-BMLIUANNSA-N 350.231 4.226 0 1 FIAF Cc1ncsc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587852995 KBOWTWKILKORLW-VXJOIVPMSA-N 355.276 4.151 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1ccc(N3CCCC3)s1)N(C)[C@H](C)C2 962571946 PHQWBSXEPVWRPZ-SPLOXXLWSA-N 372.534 4.331 0 1 FIAF COc1cc2c(cc1OC)[C@@](C)(CCc1ccc(O)c(F)c1)N(C)[C@H](C)C2 962631961 OICYZQGFRMHWTE-JLCFBVMHSA-N 373.468 4.273 0 1 FIAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@]34CCCc3[nH]ccc34)C2)cc1 962640926 MLUZXPQDOWFRJW-SQJMNOBHSA-N 369.512 4.342 0 1 FIAF c1cncc(CN2CCc3sccc3[C@H]2c2cccc(-c3ncon3)c2)c1 962993545 CFXVWRMFOWBXAJ-HXUWFJFHSA-N 374.469 4.341 0 1 FIAF CCn1nccc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(F)c2)cs1 1857608693 QJVFENDDASKQHL-UHFFFAOYSA-N 368.441 4.403 0 1 FIAF CC(=O)Oc1ccc([C@@H]2c3cc(OC(C)=O)ccc3C[C@@H](C)[C@@H]2C)cc1 2356337830 DQNBPZNXXFZFRR-ALLJEULLSA-N 352.430 4.497 0 1 FIAF CC[C@@H](Cc1ccccc1)NC(=O)c1nnc(Cc2ccccc2Cl)o1 6822436 SJUWHQIJIFRQMD-INIZCTEOSA-N 369.852 4.065 0 1 FIAF O=c1cc(-c2cccc(-c3cccs3)c2)sc(N2CCOCC2)c1 101400042 PYHLOGZDWYXMOP-UHFFFAOYSA-N 355.484 4.340 0 1 FIAF O=C(Nc1ccccc1Cl)C1CCN(c2nc3ccccc3[nH]2)CC1 8599497 FEPGVXULKFXEMU-UHFFFAOYSA-N 354.841 4.071 0 1 FIAF CC(=O)Nc1cccc(-c2csc([C@@](C)(O)c3cccc(F)c3)n2)c1 61926797 HGCUQQIVSAXFIF-IBGZPJMESA-N 356.422 4.163 0 3 FIAF CCCc1cc2c(NC)nc(N)nc2nc1-c1ccccc1C(F)(F)F 34844256 OCEGXBRUTWPKCG-UHFFFAOYSA-N 361.371 4.287 0 1 FIAF Brc1cc2[nH]cc(Br)c2cc1Br 14769622 QCPDWZFQNHLYHX-UHFFFAOYSA-N 353.839 4.455 0 1 FIAF biogenic COc1cccc(-c2nccnc2C2CN(c3nc4ccccc4s3)C2)c1 140187272 AHZFRRBULGKLML-UHFFFAOYSA-N 374.469 4.366 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](OC(C)=O)[C@H](O)[C@]1(C)O 238741107 COFSRJDBTTZNBZ-FIHFBPNYSA-N 364.526 4.015 0 1 FIAF C[C@@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171893 BWXGBKYOWHQSJP-INIZCTEOSA-N 366.179 4.032 0 1 FIAF COc1ccc(C)cc1C(=O)CCc1nc2cc(C(F)(F)F)cnc2[nH]1 587787616 OXKOWPFDCIPUEH-UHFFFAOYSA-N 363.339 4.109 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)c4ccccc14)[C@@H](C2)C3=O 587430896 WPLNJUJLQWUMPK-FDDCHVKYSA-N 359.425 4.403 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1[nH]nc(C(F)(F)F)c1C)CC2=O 587464421 PVUMDEDABISXDZ-ZDUSSCGKSA-N 354.328 4.102 0 1 FIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cnccc2[nH]1 587035685 YFMXEPUHJBGFLV-CQSZACIVSA-N 350.447 4.444 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccccn2)N1 587772030 MYDYIPRSTHSCQB-DAWCXUDSSA-N 361.258 4.446 0 1 FIAF O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586997681 QJHBGVVIZUPJCJ-SNVBAGLBSA-N 373.037 4.109 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1OC)[C@@H](C2)C3=O 587445161 ZNYAJQMVLALWFY-YADARESESA-N 372.420 4.395 0 1 FIAF Nc1ccc(-c2ccc3nc(/C=C/C(=O)Nc4ccccc4)[nH]c3c2)cc1N 587243196 CZXKKXICCVZLGG-ZHACJKMWSA-N 369.428 4.046 0 1 FIAF CC[C@H](CCC(=O)OC)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587804633 DUJSNZUYSKXZKQ-AGKHESDQSA-N 372.278 4.143 0 1 FIAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(CCO)ccc3[nH]2)cc1 587159342 ZAIBJMZXSRAESI-UHFFFAOYSA-N 360.388 4.383 0 1 FIAF O=C1C[C@]2(CCCC[C@@H]2N2CCSCC2)Oc2c1ccc1c2CCCC1 587537644 JLIQCAJRZXNLEA-UNMCSNQZSA-N 371.546 4.261 0 1 FIAF Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1F 587125743 SWASLSRTDREMDI-AMIZOPFISA-N 353.323 4.181 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2F)N1 587725133 BMTAEOAUWMNHBY-HUTHGQBESA-N 368.221 4.231 0 1 FIAF COc1cc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2cc1OC 587244904 RGFQUJUSRGAIFG-UHFFFAOYSA-N 373.412 4.499 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1C[C@H](CC(=O)O)C1(C)C)CC2=O 587491463 WCWDZABRXHJDFD-ZXNZOMRRSA-N 360.450 4.206 0 1 FIAF Cc1ccccc1C(C)(C)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587954766 FQDYMDIZRUFNNA-UHFFFAOYSA-N 373.460 4.257 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2scnc2Cl)N1 587855833 WGAFDZSNUGWENK-KBUNVGBDSA-N 361.667 4.322 0 1 FIAF COc1cc(OC)c2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1 587134786 OOICJHRUABZAOD-ONEGZZNKSA-N 370.277 4.446 0 1 FIAF CCCCCOc1cc2nc([C@H](N)C3CC3)[nH]c2cc1Br 587255398 GOOWHQAGLFKQIK-OAHLLOKOSA-N 352.276 4.304 0 1 FIAF O=C1C[C@](c2ccncc2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 587515143 LGFLWPDIZMZLMF-QHCPKHFHSA-N 363.457 4.248 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3n[nH]cc3c2)N1 587799781 YLVAWEOPHWNGKY-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF Cc1cc2c(o1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617471 PUBYCTJRWASYOP-SIKLNZKXSA-N 362.381 4.487 0 1 FIAF COC(=O)c1csc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529695 BDIFVKUJTHHECA-HXUWFJFHSA-N 356.443 4.294 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cnc(SC)nc2C)N1 962943345 GQDXMCFCALOKQQ-XCLFUZPHSA-N 352.507 4.176 0 1 FIAF Cc1cc2c(cc1F)[C@](CNC(=O)OC(C)(C)C)(c1ccccc1)NCC2 962089614 HMLJMFKDPVOYFH-QFIPXVFZSA-N 370.468 4.048 0 1 FIAF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccc(F)cc1Cc1ccccc1 13651715 FGWXBFMIKXFZFY-UHFFFAOYSA-N 365.404 4.379 0 1 FIAF O=C(Nc1ccc2ncccc2c1)N1CCN(c2cccc3[nH]ccc23)CC1 1857651936 DPTRTDDUZBATOD-UHFFFAOYSA-N 371.444 4.070 0 1 FIAF O=C(c1cc2ccc(O)cc2[nH]1)N1CCC(Cc2ccc(F)cc2)CC1 594892 GIPXBWDOUUEQLT-UHFFFAOYSA-N 352.409 4.108 0 1 FIAF CC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2nc(-c3ccccc3C)oc2C)C1 5044280 OTQIQDQSYDVSQM-AEFFLSMTSA-N 369.509 4.085 0 1 FIAF CC[C@H](C1=CC(=O)OC1)[C@@]1(C)CC[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1=O 26826900 RXAQOPSWCQZTHW-IPONSJIBSA-N 374.521 4.059 0 1 FIAF COc1c(OC)c(OC(=O)C(C)C)c2c(C)cccc2c1OC(=O)C(C)C 29310453 VNIXTNMANFWREX-UHFFFAOYSA-N 374.433 4.288 0 1 FIAF O=C(C1=NS(=O)(=O)c2ccccc2S1)c1ccc(Cl)c(Cl)c1 40860347 JBDJOGROUBGBSM-UHFFFAOYSA-N 372.254 4.069 0 1 FIAF O=C(O)c1cnc2c(cnn2/C=C/c2ccccc2)c1NCc1ccccc1 40896029 PQJWRSWFIWSZAV-VAWYXSNFSA-N 370.412 4.370 0 1 FIAF CC[C@H](C)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12 73224923 XYYXFQJAJGJUFD-LBPRGKRZSA-N 353.466 4.147 0 1 FIAF O=C1/C(=C(/O)c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 100767011 KTGQNFMVQVLMEB-QZQOTICOSA-N 355.393 4.296 0 1 FIAF CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccco1 103266137 WZWOXSHMGNMAOP-UHFFFAOYSA-N 360.885 4.307 0 1 FIAF COc1ccc2c(NCc3ccc(F)cc3)nc(N3CCCCC3)nc2c1 299830338 IIPZASDPXJBRDE-UHFFFAOYSA-N 366.440 4.380 0 1 FIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Br)c(O)c3[nH]2)cc1 586889355 MQPBCTYPXFDWPN-MEBBXXQBSA-N 361.239 4.177 0 1 FIAF COC(=O)c1cccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586894773 CUSDVZHCXNBFRV-UHFFFAOYSA-N 358.397 4.176 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CCC(=O)[C@@H](C3)C1 586989513 ABYBOLDQEKLGBV-NWDGAFQWSA-N 355.393 4.161 0 1 FIAF Cc1c(-c2nc3ccc4ncccc4c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073539 JSCWGCJMTWCABW-UHFFFAOYSA-N 374.835 4.380 0 1 FIAF COC(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587091413 KRLSCVHXBQPRJD-UHFFFAOYSA-N 367.352 4.066 0 1 FIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(Cl)c4[nH]3)cc2N1 587125998 IQACSQGLARXCST-RDDDGLTNSA-N 355.751 4.387 0 1 FIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 587242766 ZHRNKIUYJURVLA-UHFFFAOYSA-N 369.396 4.442 0 1 FIAF Cc1c(Br)cnc2[nH]c(-c3ccc4ccccc4c3N)nc12 587254899 YAHKNSXOLYZMRI-UHFFFAOYSA-N 353.223 4.431 0 1 FIAF C[C@]1(C[C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356413 JRASYXJQCDBBPT-LDQXTDLNSA-N 356.393 4.218 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccccc1Br)[C@@H](C2)C3=O 587411629 FPUTYAJSSSQRHJ-IFXJQAMLSA-N 373.246 4.207 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(F)cc1F)[C@@H](C2)C3=O 587426738 PNLMUIMWBVRKFF-QKKBWIMNSA-N 367.351 4.253 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Cl)ccc(C)c21 587460821 IKWIUCZEVPUEQP-FQEVSTJZSA-N 371.820 4.119 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]1OCc1ccccc1)CC2=O 587479005 LPYUSYIQRVKKAZ-IRLDBZIGSA-N 352.430 4.428 0 1 FIAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)nn1C 587508251 OISYHGJRADOSPY-HNNXBMFYSA-N 364.367 4.333 0 1 FIAF O=C(O)CC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531282 XVLLDCUHICCFEE-QFIPXVFZSA-N 350.414 4.291 0 1 FIAF CC(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 587587285 NKBPSTJUZUGFNH-FXAWDEMLSA-N 351.358 4.207 0 1 FIAF CC[C@H](C)c1ccc2[nH]c(-c3c(C)nn(C)c3C)c(C(=O)C(=O)OC)c2c1 587642366 LQJQKLSDLXQMSO-NSHDSACASA-N 367.449 4.054 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cncc(F)c2)N1 587736744 WULGEPUUUBMEBN-BMLIUANNSA-N 367.237 4.330 0 1 FIAF CCN(CC)CCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587739199 GNLNXILLOFDNMD-FZKQIMNGSA-N 371.338 4.460 0 1 FIAF Cc1cc2c(cn1)[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587779578 UJKDQGDEBZTFLM-BBATYDOGSA-N 361.258 4.016 0 1 FIAF COc1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(OC)c1O 587786979 ZBCDHTPXRVYKHE-UHFFFAOYSA-N 356.275 4.111 0 1 FIAF CC[C@H](C)OC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798267 ZFTLIAVQHURIQZ-VGTOOOLASA-N 372.278 4.069 0 1 FIAF COCc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587802462 SFIHCTVAYYYJNP-ZMZPIMSZSA-N 364.258 4.358 0 1 FIAF Cc1cc2c(cc1F)[C@@](c1ccccc1)(c1ccc(C(=O)O)cc1)NCC2 962303862 XOTFGCPMLSBWLK-HSZRJFAPSA-N 361.416 4.270 0 1 FIAF O=C([C@@H]1Cc2ccccc2[C@H](c2cc(F)cc3cccnc23)N1)C(F)(F)F 962764324 LORVEOWXGPWAIE-FUHWJXTLSA-N 374.337 4.109 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cccnc1-c1ccsc1 963636643 RKSPPUWNCBFDQO-ASSNKEHSSA-N 366.486 4.451 0 1 FIAF CCOc1ccc(-c2n[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1 1857548573 DHUPGVSAAHYYIF-UHFFFAOYSA-N 354.406 4.168 0 1 FIAF COc1ccc([C@H](C)Nc2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1 1857630668 ODJTYSRQAXYBFD-GJZGRUSLSA-N 365.477 4.202 0 1 FIAF CSc1nc2ccccc2n1-c1csc(NC(=O)c2ccccc2)n1 1911571062 JTDKLSIWEKINCX-UHFFFAOYSA-N 366.471 4.456 0 1 FIAF CC=C([C@H](C)C1=CCCC(C)(C)C1)[C@@H]1[C@H](OC(C)=O)O[C@@H]2OC(=O)C[C@H]21 2356806916 WAKWQRLYHBSGJG-FWVWYFKPSA-N 362.466 4.130 0 1 FIAF Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)c1ccncc1 12473332 SHVFGYNMRWSMOM-SFHVURJKSA-N 360.461 4.019 0 3 FIAF CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 1494258 GMCCBRBEVQXKMD-UHFFFAOYSA-N 373.497 4.108 0 1 FIAF CCOc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1 8075995 KXSIZFAAHYGWCK-UHFFFAOYSA-N 367.474 4.440 0 1 FIAF O=C(Nc1ccccc1)[C@H]1C(=O)N2c3ccccc3CCc3cccc1c32 26168309 HALXFYIRKKGGGV-FQEVSTJZSA-N 354.409 4.186 0 1 FIAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](C(=O)c3ccc[nH]3)CC[C@@H]12 26390291 VZUZYJRNXGEFQV-MQBPJHHZSA-N 366.505 4.111 0 1 FIAF Cc1sc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccccc1 27639160 WIWLHMZABOLRPC-VEUZHWNKSA-N 374.502 4.447 0 1 FIAF NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1 28825841 SSWQLAMCYLIZNN-UXBLZVDNSA-N 358.485 4.273 0 1 FIAF CC(C)=CCn1cc2c(c1)S(=O)(=O)c1cc(Cl)ccc1NC2=S 33818775 YYMNXAKNFSJMMP-UHFFFAOYSA-N 366.895 4.042 0 1 FIAF O=C1Nc2ccccc2/C1=C\c1cccc(/C=C2/C(=O)Nc3ccccc32)n1 33917632 PMZOKGKZIAJGIK-KLCVKJMQSA-N 365.392 4.067 0 1 FIAF CCOC(=O)c1ccc2nc(/C=C/C=C\c3ccc(O)c(OC)c3)oc2c1 38150778 ZGPOUJXMGXSIGA-XGXWUAJZSA-N 365.385 4.445 0 1 FIAF COc1ccc(C(=O)c2c(/C=C/N(C)C)oc3ccc(OC)cc23)cc1 68705507 WUTDGJJRZBZWST-VAWYXSNFSA-N 351.402 4.213 0 1 FIAF O=C1C[C@H](COc2cc(Cl)cc(Cl)c2)CN1Cc1ccccc1 95554417 YGUHHSIWJUGZDZ-AWEZNQCLSA-N 350.245 4.421 0 1 FIAF CCN(CC)CCCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1 145339666 VEQUDOUBQGYBMQ-UHFFFAOYSA-N 358.869 4.445 0 1 FIAF CN(C)CCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 164901776 NBBMWGADQAERGA-UHFFFAOYSA-N 364.470 4.220 0 1 FIAF Cc1c(O)c2ccccc2c2c1sc(=NC1CCCCC1)n2CCO 377807773 CKAMZWSFIAOQTB-UHFFFAOYSA-N 356.491 4.096 0 1 FIAF COC(=O)c1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587050559 PRFLXBARQBIKGR-BDAKNGLRSA-N 362.216 4.322 0 1 FIAF C[C@@H]1CCCCN1C(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105317 YEHCCOBMXLANMZ-OAHLLOKOSA-N 370.452 4.390 0 1 FIAF Nc1ncnc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c12 587111382 GDRZXHRMALQYMX-UHFFFAOYSA-N 371.322 4.413 0 1 FIAF CC[C@@H](Oc1ccccc1F)c1nc2c(Br)ccnc2[nH]1 587155950 OYXOYXYICSYIHX-LLVKDONJSA-N 350.191 4.390 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)nc1Cl)[C@@H](C2)C3=O 587420927 IDLJVZOQSJNLHM-ZUZCIYMTSA-N 369.726 4.251 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(O)ccc(Cl)c1Cl)[C@@H](C2)C3=O 587421523 MVDTWKKNBXTHMO-HUTHGQBESA-N 351.185 4.196 0 1 FIAF CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Oc2ccccc2)cc1 587561448 QGMQVOXNXGKUIC-UHFFFAOYSA-N 359.385 4.458 0 1 FIAF C[C@@]1(c2cccc3ncoc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586984 MQMNXFSZCUBVNW-GCJKJVERSA-N 373.364 4.410 0 1 FIAF Cc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613427 XXRADZHSVHHDOU-NFBKMPQASA-N 374.392 4.340 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2ccsc12 587662640 PHZILPNBBXQTKZ-UHFFFAOYSA-N 374.400 4.197 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3ncccc23)N1 587794351 MBLVCJVPIAVGSE-BMLIUANNSA-N 372.241 4.155 0 1 FIAF Cc1c[nH]c2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 587800133 AFKRDUOFKNUWFD-QGHHPUGFSA-N 374.257 4.397 0 1 FIAF CCOC[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587809384 RGZCFKHNDVENLG-BNLOLNQZSA-N 356.279 4.154 0 1 FIAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]2Cc3occc3[C@@H](C)[C@H]2[C@H]1O 2356472454 YFPBRZZBJVPWPJ-UYVVSTRPSA-N 360.494 4.310 0 1 FIAF CCCCNC(=O)c1nc(-c2cnc(C)cn2)oc1-c1ccc(Cl)cc1 95605454 NNGAVHHQMXDBKF-UHFFFAOYSA-N 370.840 4.290 0 3 FIAF CCCCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccc(F)cc1 2724142 GEBVUCWFYQSIAZ-NRFANRHFSA-N 354.425 4.194 0 1 FIAF COc1cc2[nH]c(=S)n([C@H]3CCCc4ccccc43)c(=O)c2cc1OC 2974254 YVQBWZODVNNESY-INIZCTEOSA-N 368.458 4.002 0 1 FIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(SC)cc1 104060115 LCXHRMTWEVVOJL-CFBLSMTOSA-N 358.467 4.282 0 1 FIAF [18F]CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 102898484 YFYQVXWMNGBWTJ-VNRZBHCFSA-N 367.455 4.099 0 1 FIAF COc1ccc(NC(=O)c2ccc(-c3c(C)noc3C)c3ccoc23)cn1 61905998 SIHGOFDVITYKDB-UHFFFAOYSA-N 363.373 4.361 0 3 FIAF CC(C)(C)COC(=O)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@H]2[C@H]1O 66058949 ZUULTBBYUDMOAY-HUJIQXBTSA-N 372.505 4.035 0 1 FIAF O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(-c2ccccc2)c1 34044219 AANWVQVQZDEWDD-UHFFFAOYSA-N 360.369 4.044 0 1 FIAF CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@@]1(C)Cc2cc(F)ccc2C1=O 40753761 MWXTYSXTINEBFY-ZXYDRDQISA-N 364.420 4.294 0 1 FIAF O=c1ccc(Cc2cc(Cc3cccc(Cl)c3)c3occc3c2)n[nH]1 40980145 RJWYZBZWLAFKBF-UHFFFAOYSA-N 350.805 4.351 0 1 FIAF Cc1ccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)cn1 40847822 XPNAKCUGLOGORW-ZDUSSCGKSA-N 367.840 4.259 0 1 FIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)ccc2S[C@H]31 220422345 BQAQRZXLSOPKCM-LJQANCHMSA-N 354.406 4.118 0 1 FIAF C[C@@]1(c2cccc(N[C@@H]3CCc4cc(Cl)ccc43)c2)COCC(N)=N1 142995811 BIQLWJAOBRCFDO-QUCCMNQESA-N 355.869 4.042 0 1 FIAF c1ccc2ncc(CNc3ccnc(-c4ccc5c(c4)OCO5)n3)cc2c1 96271447 NRDOHGOYRQETBJ-UHFFFAOYSA-N 356.385 4.033 0 1 FIAF Nc1nc2[nH]c3cccc(Sc4cccc5ccccc45)c3c2c(=O)[nH]1 98208031 NSASWBYEPOLHJW-UHFFFAOYSA-N 358.426 4.291 0 1 FIAF in-vitro CC(=O)O[C@H]1C[C@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@H]2C[C@@H]3[C@@H]4C[C@]12C[C@@]43C 238762114 GTVZKXBUEWHMES-ZRVGBPCUSA-N 360.494 4.272 0 1 FIAF COc1ccc(-c2cnn(C)c2NC(=O)O[C@H](C)c2ccccc2)cc1 95578514 XJCSFLIWXAMLCJ-CQSZACIVSA-N 351.406 4.405 0 1 FIAF CC(C)OC(=O)C1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CC(F)(F)C1 587130381 IRNQEYWIOJJTOC-UHFFFAOYSA-N 363.191 4.488 0 1 FIAF Oc1cccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586975823 KDJROWZKDMWKOP-UHFFFAOYSA-N 353.603 4.263 0 1 FIAF O=C1C[C@@H](C[C@H]2CCCCC23OCCO3)Oc2c1ccc1c2CCCC1 587534600 FHUGZUIBICIXQJ-IAGOWNOFSA-N 356.462 4.223 0 1 FIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 587051696 SYJRQLULCQQQEJ-UHFFFAOYSA-N 357.797 4.176 0 1 FIAF CC[C@]1(c2cccc(N)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587747044 OUKYHSMJPABGAA-ADLMAVQZSA-N 363.274 4.358 0 1 FIAF COc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)c(OC)c1C 587788251 SWAUSWFHTZKOBS-UHFFFAOYSA-N 363.211 4.024 0 1 FIAF CCCn1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587753809 JRRJASLYEGLCGM-APPDUMDISA-N 351.263 4.423 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1csc(-c4ccc(F)cc4)n1)[C@@H](C2)C3=O 587429778 WXCHOJGOKSRDQB-LIRRHRJNSA-N 367.401 4.447 0 1 FIAF c1ccc(CN(Cc2nc3cc4c(cc3[nH]2)OCO4)c2ccccc2)cc1 587196886 YHQSARUEOGMLAK-UHFFFAOYSA-N 357.413 4.498 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(F)c32)N1 587738269 MHXXRELFYNUIPQ-MLCYQJTMSA-N 364.233 4.451 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3cnccc3nc1C)CC2=O 587489502 MKZGKRZCAKEPCQ-QFIPXVFZSA-N 362.429 4.477 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3cccc(Cl)c3[nH]2)cc1 586970672 NTUAJZBCUYLERL-UHFFFAOYSA-N 359.882 4.439 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc(F)c(F)c1)CC2=O 587466500 MDNHMPJLAKRJSJ-HXUWFJFHSA-N 362.372 4.426 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1Cl 587546989 RQYKRJQKFXFLSF-XLIONFOSSA-N 368.772 4.454 0 1 FIAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587529268 MQGNPKKFHWTDNJ-CUJSYCCXSA-N 354.446 4.180 0 1 FIAF CN(C)/C=C/[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338537 QHUXAYXGINDSAO-YPTPAPEMSA-N 367.420 4.114 0 1 FIAF CCOC(=O)C[C@]1(c2cccc(F)c2)c2c(F)cccc2C[C@@H]2CCCN21 963102547 KRIROOGDTKXCFG-AVRDEDQJSA-N 371.427 4.182 0 1 FIAF c1ccc(-c2nnn(CCCSc3nc4ccccc4s3)n2)cc1 1772655932 XIPVYTAGLZPBFA-UHFFFAOYSA-N 353.476 4.132 0 1 FIAF Cc1ccc(-c2nnn(CCCSc3nc4ccccc4s3)n2)cc1 1772649839 GFPDVKUXOWYNPT-UHFFFAOYSA-N 367.503 4.441 0 1 FIAF O=C1Nc2ccc(F)cc2[C@H](O)C1(Cc1ccccc1)Cc1ccccc1 169346070 GFIREDFCTVLONQ-NRFANRHFSA-N 361.416 4.283 0 1 FIAF O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccs1 1857545053 BJJOAJSCOVTVOO-UHFFFAOYSA-N 356.428 4.357 0 1 FIAF O[C@]1(Cc2ccccc2Cl)c2c(Cl)ccc(Cl)c2C2=NCCN21 1857545294 JQLANYIWWKNBRG-QGZVFWFLSA-N 367.663 4.110 0 1 FIAF Cc1ccc(N2C(=O)C(O)=C(C(=O)OC(C)C)[C@@H]2C2CCCCC2)cc1 1857588680 RCMGMFMDNDLSMJ-SFHVURJKSA-N 357.450 4.054 0 1 FIAF COc1ccc(CN2C(=O)C(=O)c3cc(-c4cccc(OC)c4)ccc32)cc1 1857648522 PDUSYNMFTDGWTI-UHFFFAOYSA-N 373.408 4.100 0 1 FIAF CCCN(CCc1ccc(OC)cc1)C1Cc2cc(OC)c(OC)cc2C1 13471430 LVJNVXHDJDZJGN-UHFFFAOYSA-N 369.505 4.134 0 1 FIAF CC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 13580930 FOHASMFFKOFDCL-UHFFFAOYSA-N 365.437 4.258 0 1 FIAF Cc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn12 13801494 LBSNJEFMMCZCMM-UHFFFAOYSA-N 356.473 4.118 0 1 FIAF COc1ccc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)cc1 14819503 JQNSUDIGIIGIOL-UHFFFAOYSA-N 352.386 4.389 0 1 FIAF endogenous,in-man FC(F)(F)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 22442017 UREZEIFIEYLVGN-WMZOPIPTSA-N 350.384 4.168 0 1 FIAF C[C@H](CO)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=S)OC[C@@]4(C)[C@@H]3CC[C@@]12C 27897713 JIAXPKPFEUBJEA-KGRLHAKYSA-N 365.583 4.089 0 1 FIAF CCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)s1 29046185 VDVPSIREDHINBU-UHFFFAOYSA-N 366.490 4.144 0 1 FIAF CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(Br)cc12 49114199 RDPYDEGIIXRWPN-UHFFFAOYSA-N 374.238 4.437 0 1 FIAF COc1ccc(-c2nc3cnc(Nc4ccccc4)cc3n2C)cc1OC 74388320 JEGUIOMZRLTZDX-UHFFFAOYSA-N 360.417 4.396 0 1 FIAF CCN(CC)CCC[C@@H](C)Nc1cc(-c2cc(F)ccc2OC)ncn1 82161859 LWZYBKHHMUSQLC-OAHLLOKOSA-N 360.477 4.214 0 1 FIAF Oc1ccc2c(c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21 100722135 SIAPMUSRZHXEFY-FGZHOGPDSA-O 356.401 4.290 0 1 FIAF COc1ccc2nc3c(O)n(CCc4ccc(Cl)cc4)cnc-3c2c1 103533955 IURJMDBQBSLFMN-UHFFFAOYSA-N 353.809 4.146 0 1 FIAF C[C@@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 116230479 DZRUCRKWBXDZRX-GFCCVEGCSA-N 351.381 4.123 0 1 FIAF CC[C@H](C)CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2cc(Cl)cc(Cl)c2)C1 169352362 XNSDAFDBNJBZTP-RPLLJCPNSA-N 369.336 4.480 0 1 FIAF C/C=N/N(c1ccccc1)c1cc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 221488551 XOXGLKNENPYRRC-LTGYVZTRSA-N 358.401 4.066 0 1 FIAF COc1cc(/C=C\c2nc3cc[nH]c(=N)c3[nH]2)cc(Cl)c1OCC(C)C 587046792 MJGPOKPURBBJHK-PLNGDYQASA-N 372.856 4.238 0 1 FIAF COc1c(F)ccc(F)c1-c1nc2c(Br)cnc(Cl)c2[nH]1 587132653 HKXQMTOTMPMPSV-UHFFFAOYSA-N 374.572 4.328 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](O)c1ccccc1)O2 587404441 QGYOCLMKIDRKIR-PKTZIBPZSA-N 359.425 4.172 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc([C@H]4CCCCO4)s1)[C@@H](C2)C3=O 587449713 GPZUXKCICSXRTB-MNVSYLFESA-N 356.443 4.487 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)nc(N3CCCC3)c1)CC2=O 587472615 SDLHFDOROBPOAB-SFHVURJKSA-N 370.424 4.186 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)CCCCC(=O)OC)CC2=O 587477811 HESNRQWUVSUYPR-SPLOXXLWSA-N 362.466 4.438 0 1 FIAF C[C@]1(Cc2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567357 GTJHRAZZXRQRDR-SIKLNZKXSA-N 364.372 4.494 0 1 FIAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)s1 587637074 BQMKMJSYMFXVEQ-UHFFFAOYSA-N 353.321 4.486 0 1 FIAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587726751 ZLXIMPDSCRDUJH-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF COC(=O)Cc1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587783060 FIMHMEKSXQKUDA-UHFFFAOYSA-N 352.287 4.103 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3ccccc32)N1 587790350 CGBJKPAYBZXFIC-ZMZPIMSZSA-N 361.258 4.182 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(Cl)n2)N1 587851702 ISDYCNXDPITPHI-INWYIAFRSA-N 361.667 4.322 0 1 FIAF Cc1ccccc1-c1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O 587945044 KDSZEBFESICLOT-QGZVFWFLSA-N 374.343 4.497 0 1 FIAF O=c1/c(=C/c2cccc(Cc3ccccc3)c2)sc2nc3ccccc3n12 653899211 IAEARNVFYMPXLU-QNGOZBTKSA-N 368.461 4.048 0 1 FIAF CCc1ccc([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)o1 963199134 WCOCFKGTDXGMQI-HIFRSBDPSA-N 373.758 4.203 0 1 FIAF COc1ccc2[nH]cc(CCNCc3ccc(-c4ccc(O)cc4)o3)c2c1 1857615948 NLWFTNQISOBUDF-UHFFFAOYSA-N 362.429 4.474 0 1 FIAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@@H](C)[C@]12C 2356764851 QFRZIEHLMQVWOP-LGZVPWNVSA-N 360.450 4.138 0 1 FIAF Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cccn2-c2ccccn2)C1 55099040 WDFRSZHHKIQHQO-QGZVFWFLSA-N 365.502 4.337 0 3 FIAF COc1cc2c(O)c3c(c(-c4ccc(C)cc4)c2cc1OC)C(=O)OC3 103187907 HANMGMAKOOBPNB-UHFFFAOYSA-N 350.370 4.208 0 1 FIAF CC1(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)CC(=O)C1 102895054 SAXDJPVVQNFQET-UHFFFAOYSA-N 368.273 4.431 0 1 FIAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccc(Cl)c1Cl)CN32 100912932 QJUURDMOAUOHOG-LTKCRABHSA-N 352.261 4.033 0 1 FIAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C(=O)C[C@@]2(C)C1 2356317874 XJADJSSOKJQZDB-XXYOBINVSA-N 360.494 4.099 0 1 FIAF COP(=O)(OC)C(Cc1ccc(Cl)cc1)P(=O)(OC)OC 29225071 AZSXDAWBCWWADI-UHFFFAOYSA-N 356.679 4.180 0 1 FIAF O=c1[nH]c2ccccc2nc1-c1cccc2c(=O)n(C3CCCC3)sc12 36188426 IWNSRJDVPQNPCB-UHFFFAOYSA-N 363.442 4.082 0 1 FIAF CCO[C@H](C)c1cncc2c(=O)n3c(cc12)-c1[nH]c2ccccc2c1CC3 13360199 PXNLFQYEEDVRBA-CYBMUJFWSA-N 359.429 4.198 0 1 FIAF biogenic COc1cc(OCC=C(C)C)cc2c1[C@@H]1Oc3cc(O)ccc3[C@H]1CO2 14820432 BFYZUNBXRVPQIE-IIBYNOLFSA-N 354.402 4.356 0 1 FIAF biogenic O=C(Nc1cc(-c2cn(-c3ccccc3)c3cnccc23)ccn1)C1CC1 1911586320 QVIIMXQIBJRPFS-UHFFFAOYSA-N 354.413 4.436 0 1 FIAF COc1cc(Nc2cc(Oc3cccnc3C)ccn2)cc(OC)c1OC 45286646 PBSZPICVYFKXCZ-UHFFFAOYSA-N 367.405 4.347 0 1 FIAF CC(C)CN(C)C(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1 82132323 BUCFLONPIUDDKZ-UHFFFAOYSA-N 352.482 4.226 0 1 FIAF CC(=O)c1ccc([C@H](O)C(F)(F)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 95582312 OFQJHTJHABTKNR-ITOSSNOYSA-N 362.416 4.343 0 1 FIAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)C1 261129695 KWGIXLKUUUKGLB-BORKMBCGSA-N 367.537 4.124 0 1 FIAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccc(O)c1 618005081 QKPJYDOCHSJTMR-AWEZNQCLSA-N 369.446 4.214 0 1 FIAF CC[C@]1(c2ccc3c(c2)cc(O)n3C)CC(=O)c2cc(C)cc(N)c2O1 587392316 YPARFBPKYLIYTP-OAQYLSRUSA-N 350.418 4.045 0 1 FIAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1 587581995 YHAAVVDLQICNMS-DENIHFKCSA-N 361.397 4.160 0 1 FIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 586908699 UBNLMXFGCZDBPL-SECBINFHSA-N 350.296 4.042 0 1 FIAF O=C1C[C@](c2cnoc2)(c2ccccc2O)Oc2c1ccc1c2CCCC1 587528318 WWDCFYMBQXHUCR-QFIPXVFZSA-N 361.397 4.168 0 1 FIAF CC(C)COCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593319 IRRUNKAKVVNORZ-WIYYLYMNSA-N 356.418 4.175 0 1 FIAF C[C@H](Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587521045 HYGQYPLCIPJWRC-RNODOKPDSA-N 366.413 4.124 0 1 FIAF CO[C@@H]1[C@H](C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 587807926 FLQBUSOAKPJUOR-CCVPWINHSA-N 368.290 4.153 0 1 FIAF Cc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 587634998 GFPLZJFYFPAAIK-UHFFFAOYSA-N 351.381 4.216 0 1 FIAF Fc1cc(Cl)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587120351 ZNENKPDTXYIFFQ-UHFFFAOYSA-N 372.753 4.498 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(Cl)c1)[C@@H](C2)C3=O 587420200 DZUYTMQQRBKAHM-GTNSWQLSSA-N 366.747 4.439 0 1 FIAF N[C@@H](N=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587061601 WCKLZBQBZNYOPI-HNNXBMFYSA-N 353.769 4.262 0 1 FIAF COC(=O)c1cc2[nH]c(-c3csc(-c4ccc(C)o4)n3)nc2cc1OC 587016000 DLHMOZIHZCFMCV-UHFFFAOYSA-N 369.402 4.050 0 1 FIAF Cn1ccnc1[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587105135 PPWUCBJQCGYYIN-CQSZACIVSA-N 365.436 4.452 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2F)N1 587721454 VUHAMAQTMKAXNR-ZKANADHPSA-N 356.185 4.490 0 1 FIAF C[C@@]1(c2ccc(CC(=O)O)s2)NCCc2cccc(-c3ccccc3)c21 962662820 GDAIIYGQXLPAKT-QFIPXVFZSA-N 363.482 4.451 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@](C)(c3ccc(F)c4ccccc34)c3cccc1c32 963038576 WIJQLQUEOJGKJA-QKFKETGDSA-N 360.432 4.296 0 1 FIAF CC[C@]1(c2cc(C(=O)O)ccc2F)c2ccc(F)cc2C[C@H]2CCCN21 963113193 SGHIWISWVWAVCB-IIBYNOLFSA-N 357.400 4.337 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCOc3c(F)ccc(F)c32)N1 962944766 FEYSAROXEWYQDG-GTJPDFRWSA-N 354.400 4.397 0 1 FIAF CC[C@@]1(c2ccc3c(c2)CCCO3)NCCc2cc3cccc(OC)c3nc21 963041551 XRZIPZYXGBSEHE-DEOSSOPVSA-N 374.484 4.368 0 1 FIAF CCc1nn(C)c(Cl)c1[C@H]1c2ccsc2CCN1Cc1cccnc1 962993487 JBMDHXVIJHTHPG-GOSISDBHSA-N 372.925 4.240 0 1 FIAF O=C1CC2(CC2)C[C@]2(C1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962626367 GVFJYYPEFFUWEM-PXDATVDWSA-N 372.512 4.162 0 1 FIAF CC(=O)N(C)c1nc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cs1 962665949 RTPOUIJEVQQIHB-FQEVSTJZSA-N 363.486 4.028 0 1 FIAF CN(C)CCNc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1 1772624603 ILKZVQYPNISSAH-UHFFFAOYSA-N 352.869 4.438 0 1 FIAF CC(C)C[C@@H](/N=C(\O)c1cccc(OCc2ccc(F)cc2)c1)C(=O)O 12993164 YJVVBGSMOIYBSS-GOSISDBHSA-N 359.397 4.209 0 1 FIAF COc1ccc2c(c1)[C@H](CCCN1CCN(C3=NCCCC3)CC1)CCC2 13745351 NJMGAOHDZNCSFN-IBGZPJMESA-N 369.553 4.095 0 1 FIAF N=C(N)Nc1ccc(Oc2cccc(NC(=N)Nc3ccccc3)c2)cc1 169327263 NHHXMRNNEVKHBA-UHFFFAOYSA-N 360.421 4.243 0 1 FIAF O=C(c1ccc(Cl)cc1)c1nc(SCc2ccccc2)nc(O)c1O 1857581765 YBBPPHIBVRASCQ-UHFFFAOYSA-N 372.833 4.065 0 1 FIAF CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)CCCC=CC[C@@H]21 253632361 ABTCSIQGTDHHEP-WUJAHAMISA-N 364.526 4.159 0 1 FIAF CN(C)CCCN1C(=O)N(C)c2ccc(Cl)cc2[C@H]1c1ccccc1 13553539 JFENRDVPMSZMQD-LJQANCHMSA-N 357.885 4.253 0 1 FIAF O=C1O[C@@H](Cn2cnc3ccccc32)CC1(c1ccccc1)c1ccccc1 13651136 BCSRWVPYXSEJDT-HXUWFJFHSA-N 368.436 4.338 0 1 FIAF CCCCCn1cc(C(=O)NCCc2ccccc2)c(=O)c2ccccc21 13678311 YKNYSDQHAPRCJG-UHFFFAOYSA-N 362.473 4.164 0 1 FIAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccc(Cl)cc4)ccc3N(C)[C@H]12 27517721 FAEIGAUSWCZPCA-ICSRJNTNSA-N 371.868 4.320 0 1 FIAF Nc1nc(-c2ccco2)c2ncn(Cc3c(Cl)cccc3Cl)c2n1 28523818 JTYVCSYDVGSSFY-UHFFFAOYSA-N 360.204 4.024 0 1 FIAF O=C(O)/C(=C\c1ccccc1)c1cc(C(=O)c2cccs2)ccc1O 29397925 JUPUDVMUFQZIKM-WJDWOHSUSA-N 350.395 4.310 0 1 FIAF COc1ccc2c(c1)OC1(CCN(Cc3ccccc3C)CC1)CC2=O 39227081 QGUQGZNOUJOSGS-UHFFFAOYSA-N 351.446 4.004 0 1 FIAF CSc1ccc(Cc2nnc3sc(Cc4ccccc4)nn23)cc1 40952469 UGJKSYQUZQTKTB-UHFFFAOYSA-N 352.488 4.089 0 1 FIAF O[C@@H](CCN1CCN(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 59260745 GYDAXTHZSDJWEE-QHCPKHFHSA-N 364.464 4.225 0 1 FIAF CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(C(=O)C1CCCCC1)CC2 66123286 ABYPCYIQSWYGSA-MRXNPFEDSA-N 370.537 4.350 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccco2)n1 82142674 AFFQRRIKLOROGT-AWEZNQCLSA-N 356.470 4.352 0 1 FIAF CS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1 89469988 ISYIJSJVYFOFPY-UHFFFAOYSA-N 374.853 4.021 0 1 FIAF CCc1nnc(C2CCN(c3ccccc3)CC2)n1-c1ccccc1F 96283520 NWONMQTVCXNTJJ-UHFFFAOYSA-N 350.441 4.353 0 1 FIAF O=C(Cc1ccc(C(=O)O)cc1)SCc1ccc(Br)cc1 138527503 WNRAZBQZTFTFOT-UHFFFAOYSA-N 365.248 4.150 0 1 FIAF in-vivo CCc1cnc(-c2ccc(-c3ccc(OCC(C)(C)C(=O)O)cc3)nc2)[nH]1 205343816 DASYKYGVCIWYAE-UHFFFAOYSA-N 365.433 4.191 0 1 FIAF CC(C)N1Cc2cc(-c3cc(-c4ccc(Cl)nc4)no3)ccc2C1=O 299854783 BQEOAJIEUAFPMX-UHFFFAOYSA-N 353.809 4.421 0 1 FIAF Cc1ccc(CSCCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 586970624 HPOMRHUEVIAOEH-UHFFFAOYSA-N 351.475 4.232 0 1 FIAF COc1cc(/C=C/c2nc3ccc(CCO)cc3[nH]2)ccc1Br 586977444 OWBVOYZKDZFDTM-QPJJXVBHSA-N 373.250 4.039 0 1 FIAF COc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586998434 JVNXEMRTMDUOGP-DJWKRKHSSA-N 373.206 4.233 0 1 FIAF Brc1c(OCc2nc3cnccc3[nH]2)ccc2ccccc12 587001232 MGJZPVQRJRDNRH-UHFFFAOYSA-N 354.207 4.453 0 1 FIAF Fc1cnc(Br)c2[nH]c(CCc3ccccc3Cl)nc12 587059315 OIDHSQVMILPBIC-UHFFFAOYSA-N 354.610 4.298 0 1 FIAF O=C(Nc1ccccc1Cl)c1nc2c(OC(F)(F)F)cccc2[nH]1 587060936 WXRWUCJEYRWSDJ-UHFFFAOYSA-N 355.703 4.367 0 1 FIAF COC(=O)C[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587096359 DGLMDGVSMQVIBR-CQSZACIVSA-N 371.436 4.423 0 1 FIAF O=C1CCc2cc3nc(C4CC(F)(c5cccc(F)c5)C4)[nH]c3cc2N1 587131768 SVLIBICJYQIYQD-UHFFFAOYSA-N 353.372 4.329 0 1 FIAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c(Cl)ncnc2[nH]1 587149895 OFEJTBMMUOAJKO-AWEZNQCLSA-N 353.788 4.347 0 1 FIAF Cc1nc(N(C)C)ncc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587195010 QLAUCTSYGRAFSZ-UHFFFAOYSA-N 353.373 4.006 0 1 FIAF CC(C)(C)OC(=O)N(Cc1nc2ccc(Cl)cc2[nH]1)C[C@H]1CCCO1 587197489 PPTYSZVPXMPXHT-CYBMUJFWSA-N 365.861 4.132 0 1 FIAF COc1cccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587221646 GRPXMTOYPJMXLI-LJQANCHMSA-N 357.413 4.091 0 1 FIAF CC[C@]1([C@H]2CCCNC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346329 MAFFDIQSGVMMDA-ZAOYMGCJSA-N 369.436 4.039 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc(C)c(C)c1)O2 587388082 VSYRNVNONIHQFH-UVIRAJKCSA-N 350.462 4.130 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2NC(=O)c2ccccc21 587400279 METBISXXSFOGLI-QHCPKHFHSA-N 370.408 4.052 0 1 FIAF COc1cc2c3c(c1)O[C@@H](/C(=C\N(C)C)c1cccc(Cl)c1)[C@@H](C2)C3=O 587418558 JCTRSKHHTXZHBH-OSZUCUMASA-N 369.848 4.067 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCOc4c(Cl)cc(C)cc41)[C@@H](C2)C3=O 587424190 XNEIEXLUEVUINO-LHSJRXKWSA-N 370.832 4.473 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cnn3C(C)C)CC2=O 587475466 MDSNBJKNEGMOFX-OAQYLSRUSA-N 354.450 4.319 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)OC)(c1ccccc1)CC2=O 587476368 CCMYPHXKBCQDSW-QFIPXVFZSA-N 368.429 4.159 0 1 FIAF C[C@@H](O)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587524958 MTWJSRCMPRRQKV-FATZIPQQSA-N 361.441 4.288 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(F)c(F)c1 587558789 UOJWMTLRGIPKSY-JXFKEZNVSA-N 370.307 4.079 0 1 FIAF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)O1 587616493 KTZSIVQUSYXYNO-IIBYNOLFSA-N 354.402 4.070 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CF)(c2ccccc2)N1 587713014 BTSALKCWWCJBIO-PIGZYNQJSA-N 352.222 4.336 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2F)N1 587725545 QWBDCPZQAMNVQB-PWJLMRLQSA-N 354.194 4.057 0 1 FIAF O=C(Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)OCc1ccccc1 587781935 GCRGLNAVKOQQJE-UHFFFAOYSA-N 372.424 4.428 0 1 FIAF COc1ccc(C=O)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587787161 KLNISNJNIGEPNF-UHFFFAOYSA-N 365.614 4.467 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(O)cc32)N1 587834047 QJTKYXOGRBNBQM-YPMLDQLKSA-N 362.242 4.018 0 1 FIAF Cc1nc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587856105 XYCXVYYPRFUOQM-AYVTZFPOSA-N 355.276 4.151 0 1 FIAF CCc1nc2ccccc2n1CC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874695 ICSAGWOPDPVVJL-UHFFFAOYSA-N 362.364 4.047 0 1 FIAF COc1ccc(CNc2c(-c3ccccc3O)nc3cccc(F)n23)cc1 653719097 MHEDZIYFQFWRMO-UHFFFAOYSA-N 363.392 4.467 0 1 FIAF COc1ccc(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c(OC)c1 1772636623 KECIHTVPGCBKRH-KRWDZBQOSA-N 369.442 4.434 0 1 FIAF CN(C)CCCNc1nc2ccccc2nc1-c1nc2ccccc2s1 1857593147 ZBWRBOGGUHDEKA-UHFFFAOYSA-N 363.490 4.270 0 1 FIAF Cc1cc(-c2ccc3nc(=N[C@H](C)c4ccccc4)[nH]n3c2)cc(C)c1O 1911586014 KBGPVDCWIZHPHV-MRXNPFEDSA-N 358.445 4.314 0 1 FIAF CC(=O)O[C@@H]1C[C@]2(O)C(C)(C)CCC[C@]2(C)[C@@H]2Cc3occc3[C@H](C)[C@@H]12 2356417639 HOCAOPOBPZNWHL-UGKJOZFFSA-N 360.494 4.455 0 1 FIAF Fc1ccc(OCCCN2CCn3c(nc4ccccc43)C2)cc1Cl 2382237946 YDBPGCSAJRYRAW-UHFFFAOYSA-N 359.832 4.114 0 1 FIAF O=S(=O)(Nc1ccccc1F)c1ccc2[nH]c(-c3ccccc3)nc2c1 2467973 NBPQJXDRYVUFDB-UHFFFAOYSA-N 367.405 4.170 0 1 FIAF CCN1c2ncc(CCc3ccccc3C)cc2C(=O)N(C)c2cccnc21 5842302 JFFZDHWSXQDFFY-UHFFFAOYSA-N 372.472 4.318 0 1 FIAF COc1cc(OC)c2c(c1)O[C@@H](c1cccnc1)[C@H](c1ccccc1)C2=O 13220543 FSMNLYWDBIFGPC-KNQAVFIVSA-N 361.397 4.199 0 1 FIAF O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccccc1 13725178 CQXOQBCTEPZRNB-UHFFFAOYSA-N 367.493 4.263 0 1 FIAF CN(CCc1ccccc1)C(=O)Cc1ccc(-c2ccccc2)c(C(=O)O)c1 13758643 WQBQLOFLKMADJW-UHFFFAOYSA-N 373.452 4.295 0 1 FIAF COc1ccc(CCCCNCCOc2c(F)ccc3c2OCCC3)cc1 13761782 TVNIVNPKPOOYNO-UHFFFAOYSA-N 373.468 4.151 0 1 FIAF COc1ccc(C(=O)[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)cc1OC 14646620 REESMTMKWHNVKU-ZIAGYGMSSA-N 356.418 4.130 0 1 FIAF biogenic CCCCC[C@H](O)/C=C/[C@@H](OCC)[C@H](O)CCCCCCCC(=O)O 33820375 BHDZXVBBVBHNKG-KUUUERKLSA-N 358.519 4.065 0 1 FIAF Cc1ccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)cc1 35075215 ZWDRGROQJMUOOH-BPUDTRNYSA-N 364.533 4.185 0 1 FIAF CCNc1ccnc2sc3c(=O)n(-c4ccc(OC)cc4)ccc3c12 35284357 XJRFQZOVADRNBO-UHFFFAOYSA-N 351.431 4.041 0 1 FIAF O=C(CCCCN1CCN2c3ccccc3CC[C@@H]2C1)c1ccc(F)cc1 36093094 HNVLTQZTSZKWJM-OAQYLSRUSA-N 366.480 4.316 0 1 FIAF CCCCN1CCN(C2=Nc3ccccc3Cn3c2cc2ccccc23)CC1 40465536 SVZIFKPWWYROHU-UHFFFAOYSA-N 372.516 4.499 0 1 FIAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccncc2)c1 43064742 JGLSXUYFUCPQGV-UHFFFAOYSA-N 350.466 4.253 0 1 FIAF CC(=O)N1N=C(Nc2nc3ccc(C)cc3s2)C[C@H]1c1ccc(O)cc1 45300357 XXEWJJPSXIBWSF-INIZCTEOSA-N 366.446 4.029 0 1 FIAF CC(C)=CCC[C@]1(C)Oc2c(c(O)c(C)c(O)c2C(=O)C(C)C)C[C@H]1O 58592888 QYKLLVVSXTWHIV-VFNWGFHPSA-N 362.466 4.046 0 1 FIAF biogenic O=C(CSc1nncnc1-c1ccccc1Cl)Nc1ccccc1F 95560599 IPECRGNVXWDRCX-UHFFFAOYSA-N 374.828 4.062 0 1 FIAF O[C@H](CN1CCCCC1)[C@@H]1Oc2ccccc2[C@@H]1CCc1ccccc1 96902513 WXYWDEZLAOBARR-QZNHQXDQSA-N 351.490 4.011 0 1 FIAF COC1=CC[C@H]2C(=C1)[C@@H]1c3cc(OC)ccc3C[C@@H]2N(CC2CC2)[C@@H]1C 101966545 MKXNFBCGAIGPNB-ONUFPDRFSA-N 351.490 4.294 0 1 FIAF O=C(O)c1ccnc(-n2nccc2O[C@@H]2CCCc3cc(Cl)ccc32)c1 146922345 MYEIDQDVSWLKKZ-MRXNPFEDSA-N 369.808 4.075 0 1 FIAF CC(C)[C@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167365073 ZEMVEISEORCVQS-HNNXBMFYSA-N 351.450 4.009 0 1 FIAF C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@@H](N)C[C@@]1(c1cccc(O)c1)C2 253637777 DBPFGWTUHBQYTM-UWSZBUKDSA-N 364.533 4.094 0 1 FIAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)C1 261191115 ZFXGNBOXQNGCFE-UWJYYQICSA-N 370.541 4.204 0 1 FIAF COc1cc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cc(Cl)c1O 299836017 XTUDBBMWTYZCIQ-NSCUHMNNSA-N 361.869 4.152 0 1 FIAF C[C@@H](Cn1nc(-c2ccc3[nH]ccc3c2)c2c(N)ncnc21)c1ccccc1 473135065 FIBSJIPNOBLFML-AWEZNQCLSA-N 368.444 4.361 0 1 FIAF O=C(Nc1cccc2ccccc12)c1ccc2c(C(=O)O)ccc(O)c2n1 473149734 KIFWIALMBKLQDD-UHFFFAOYSA-N 358.353 4.044 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586962563 GHKGNTLBHFBYFH-ZCFIWIBFSA-N 372.347 4.167 0 1 FIAF N[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)cc1 586996655 ISQIVDQPFXLNIO-GFCCVEGCSA-N 368.637 4.360 0 1 FIAF Cc1cc(Cl)cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 587039134 QDARYJIGBIDPJH-UHFFFAOYSA-N 365.846 4.390 0 1 FIAF COc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(Cl)n1 587084311 XZFVNOSETZVJJI-UHFFFAOYSA-N 374.572 4.328 0 1 FIAF COc1nccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c12 587122558 UUEDGZLIUJZKKO-UHFFFAOYSA-N 374.322 4.389 0 1 FIAF O=C(O)Cc1c(-c2ccc(Br)cc2)nc2cccc3c2c1CC3 587208327 QAIXTBUKLRHHFL-UHFFFAOYSA-N 368.230 4.390 0 1 FIAF C[C@@]1(c2ncccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328471 ASGNGGUOPBXYPP-GHTZIAJQSA-N 367.351 4.340 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(SC(=O)N(C)C)c1)O2 587409577 INYMCYHFUKEERK-KRWDZBQOSA-N 356.447 4.057 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(OC)cc(F)c31)CC2=O 587472663 UIFMLQONIHGQIY-NRFANRHFSA-N 356.393 4.299 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(O)c(OC)c1)CC2=O 587475609 BDVSEWOQDREILR-NRFANRHFSA-N 356.418 4.026 0 1 FIAF Cc1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N(C)C)n1 587497007 DNKDOXZFFNAQSM-INIZCTEOSA-N 371.868 4.090 0 1 FIAF O=C1C[C@@](c2cccnc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587514637 ITJVTQOBFYIOBY-HSZRJFAPSA-N 356.425 4.264 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(CN(C)C)CCCC2)N1 587739954 IVOFZXNXMNBLAZ-SJCJKPOMSA-N 369.322 4.286 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN2CCCCC2)N1 587766000 LUJQYHHEEOUNAK-ACJLOTCBSA-N 369.322 4.214 0 1 FIAF Cc1ccc(-c2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n[nH]2)cc1 587875837 NXGMGCSCKXPLFV-UHFFFAOYSA-N 360.348 4.182 0 1 FIAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(Cc2ccccc2)c1O 587944750 IMMPFVXWCHYQHJ-KRWDZBQOSA-N 374.343 4.112 0 1 FIAF Cc1c([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)[nH]c2c(Cl)cccc12 963022245 IGZDLLUNUQSNPA-XUSGNXJCSA-N 365.864 4.272 0 1 FIAF CCn1cnc2c(oc3nc(-c4cccs4)cc(C(F)(F)F)c32)c1=O 1857638042 BKDMDKHGFTVWGM-UHFFFAOYSA-N 365.336 4.305 0 1 FIAF CC(=CCCC1=CC(=O)O[C@@H]1O)CCC=C(C)CCC[C@@H](C)C(=O)O 2356787864 BRWKDBAXWVCQIQ-UZLBHIALSA-N 350.455 4.132 0 1 FIAF COc1cccc(-c2ccc3ncnc(NCc4cnc(C)cn4)c3c2)c1 4264599 HWQKXWWKSLBGGN-UHFFFAOYSA-N 357.417 4.016 0 1 FIAF CCOC(=O)[C@H]1Cc2c(sc3ccccc23)CN1C(=O)c1ccccc1 26832474 UOCMRVVPXMPAEO-QGZVFWFLSA-N 365.454 4.032 0 1 FIAF O=C(Nc1ccccn1)c1ccccc1Nc1ccnc(C(F)(F)F)c1 28394617 NQLSQWVYKIDIEP-UHFFFAOYSA-N 358.323 4.491 0 1 FIAF CSc1ccc(OCc2nnc3sc(-c4ccc(C)cc4)nn23)cc1 28708993 NCAJDNSPRSJEMP-UHFFFAOYSA-N 368.487 4.462 0 1 FIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2cc(Br)ccc21 28964604 NAEMZEHAVXOQSK-HNNXBMFYSA-N 371.238 4.134 0 1 FIAF CCOc1c(C(=O)O)oc2c3cc(OC)ccc3n(-c3ccccc3)c12 29390787 VFWAJXMRCXLCOW-UHFFFAOYSA-N 351.358 4.482 0 1 FIAF COc1ccc([C@H]2[C@@H](C)C(=S)N2c2cc(OC)c(OC)c(OC)c2)cc1 66259801 NAPVLQUURFIQJL-KZULUSFZSA-N 373.474 4.246 0 1 FIAF COc1cc2nc(N3CCCCCC3)nc(NCCC(C)C)c2cc1OC 82130972 IPDHWTPIDLLJNH-UHFFFAOYSA-N 372.513 4.485 0 1 FIAF CC(C)CN(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82132820 LEYKNPJWPMNWMX-UHFFFAOYSA-N 374.488 4.484 0 1 FIAF Cc1ccccc1-n1nc(C(F)(F)F)cc1-c1ccc2c(c1)NC(=O)CO2 82152704 CMFFEQLOOLNLFE-UHFFFAOYSA-N 373.334 4.197 0 1 FIAF COc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1 113654346 CBOPZRDROLVYRN-UHFFFAOYSA-N 370.456 4.410 0 1 FIAF Clc1cccc(Cl)c1-c1nc2c(Nc3ccncn3)nccc2[nH]1 118777421 CDCDYSODNYLAPT-UHFFFAOYSA-N 357.204 4.465 0 1 FIAF COc1ccc(-c2ccnc(-c3ccc(OC)cc3OC)c2)c(OC)c1 169312265 NWXHAZZDHHSDTJ-UHFFFAOYSA-N 351.402 4.450 0 1 FIAF O[C@H](COc1cccc(C2=CCCCC2)c1)CN1CCc2ccccc2C1 219734116 VWANYAGFTZECAS-QHCPKHFHSA-N 363.501 4.442 0 1 FIAF C/C1=C/CC[C@H](C(=O)O)CCC[C@H](C(=O)O)[C@H]2C[C@@H](CC1)C(C)(C)O2 238775120 KWEBFCAMVUQYNP-FMWOCLEDSA-N 352.471 4.262 0 1 FIAF O=C(O)[C@@H]1CCCN(CCO[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 253805185 KGVCYMDWXRKNMB-UYAOXDASSA-N 373.880 4.243 0 1 FIAF CCc1oc2ccccc2c1-c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 586903533 LEBRPAXPKHPXDC-UHFFFAOYSA-N 350.374 4.334 0 1 FIAF CCc1cc(O)nc(SCc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 586966769 MTLOGXZXNDYJCJ-UHFFFAOYSA-N 355.250 4.220 0 1 FIAF CC(C)CCOc1ccc(Br)cc1-c1nc2cnncc2[nH]1 586982143 RWILHDQFHOHDBO-UHFFFAOYSA-N 361.243 4.207 0 1 FIAF Cc1nc2[nH]c(CCc3ccccc3Cl)nc2cc1Br 587059344 OSZQRFZRYCXZPH-UHFFFAOYSA-N 350.647 4.467 0 1 FIAF O=C1C[C@H]2CC[C@@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349210 FLQPJEGAWGUGQW-WNSHACJQSA-N 366.388 4.018 0 1 FIAF COc1c(Br)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587374958 ANSNXSMHNPDABU-OAHLLOKOSA-N 362.223 4.055 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(Br)c1F)O2 587385846 QRNYEPQAXTXKJA-QGZVFWFLSA-N 364.214 4.359 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O 587418811 AVBMTJXKGKJTPY-KBXCAEBGSA-N 364.319 4.257 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(F)c1)[C@@H](C2)C3=O 587425223 AGFTVGPBCWSLHD-APPDUMDISA-N 363.182 4.086 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc([C@@H]4CCCCO4)s1)[C@@H](C2)C3=O 587449714 GPZUXKCICSXRTB-PJSUUKDQSA-N 356.443 4.487 0 1 FIAF COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587506050 OCDMURYDLIESFR-LJQANCHMSA-N 354.377 4.198 0 1 FIAF O=C1C[C@H]([C@@H]2CCN(Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587512821 FWAWGUACDGZKQG-AUSIDOKSSA-N 361.485 4.421 0 1 FIAF O=C1C[C@@H](c2ccccc2N2CCOCC2)Oc2c1ccc1c2CCCC1 587518086 AFSDHFQRTQYZSY-QFIPXVFZSA-N 363.457 4.109 0 1 FIAF Cc1cccc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn12 587776012 VKWWOUNEAZAGFM-YPMLDQLKSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccnc23)N1 587801447 GMDJOCVOUHHQGL-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCCC[C@@H]2O)N1 587833458 NSYOGISRYVMKAO-HYSWKAIVSA-N 356.279 4.033 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2scnc2Cl)N1 587855836 WGAFDZSNUGWENK-KGFZYKRKSA-N 361.667 4.322 0 1 FIAF CCOc1cc(-n2c(OC(C)(C)C)cc(C)c2O)c(Cl)cc1C(=O)O 587942048 UFHZOBZBVKKMME-UHFFFAOYSA-N 367.829 4.419 0 1 FIAF CS(=O)(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1 653715999 LHNXSIMYXDMXCR-UHFFFAOYSA-N 370.451 4.156 0 1 FIAF Cc1c(F)ccc2c1[C@@H](c1nn(C)c3ccc(Br)cc13)NCC2 962142102 FJNUTCYYQUORIA-SFHVURJKSA-N 374.257 4.018 0 1 FIAF C[C@@]1([C@@H](N)Cc2ccccc2)c2ccsc2CCN1Cc1ccco1 962705928 GGBSXGOOBHGJLG-SFTDATJTSA-N 352.503 4.185 0 1 FIAF CCCN1CC(=O)N(C)c2ccc(Br)cc2[C@@H]1c1ccccc1 1911576805 OQDCJFGZSBZDMF-IBGZPJMESA-N 373.294 4.227 0 1 FIAF CC(=O)OCC(=CCO)[C@@H]1C[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)O1 2356527645 FGEVYIKISBOJQP-PAPPXSOASA-N 364.526 4.258 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](O)[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2356535722 IEEUFWOXVCPGAH-PVRUNILOSA-N 374.521 4.057 0 1 FIAF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)O)[C@@H]2CC[C@H](C)C[C@@H]2C(=O)[C@]1(C)O 2356718798 GVNQXZBVWDAWQB-RJUCMTBJSA-N 360.494 4.158 0 1 FIAF CO[C@]1(CC(C)=CCCC(C)=CC(=O)OCc2ccoc2)C=C(C)C(=O)O1 2356751327 UCSUUUDHPKKOSU-NRFANRHFSA-N 374.433 4.232 0 1 FIAF COc1ccccc1-c1ccc2c(c1)N(CCc1ccccc1)C(=O)COC2 205212919 IVFXWHWUQYOQAU-UHFFFAOYSA-N 373.452 4.468 0 3 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc(OCC)c1 4049890 QGWLKPQBZVVIRP-FPOVZHCZSA-N 366.461 4.093 0 1 FIAF NC(=O)Cc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 8042316 VUYNLMVSVRLPJL-UHFFFAOYSA-N 351.406 4.125 0 1 FIAF C[C@@H](C[18F])OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N(C)C2 103184951 ZSLWUVZDXDAKIP-RFQRYJGXSA-N 352.868 4.055 0 1 FIAF CCc1ccc([C@@H](C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 114996809 WTEFMFHLHIXCDB-QGZVFWFLSA-N 373.504 4.478 0 1 FIAF CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1NCc1ccco1 20103856 CNSXYTSJRUIFGH-UHFFFAOYSA-N 360.797 4.279 0 1 FIAF COc1ccc(CNC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c(OC)c1 38238541 SXWIMVAWPJAILW-CRAIPNDOSA-N 371.502 4.299 0 1 FIAF Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(F)cc4)c3C2)nc1 35077859 DUPYPBQTFOKCSC-OAHLLOKOSA-N 363.440 4.055 0 1 FIAF COC(=O)C1=CC(=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC[C@@H](C)CC(=O)O 14619172 CDUCXJMEMPCZPY-XFFQHTBTSA-N 364.482 4.008 0 1 FIAF biogenic c1cc2cc(-c3nc(N4C[C@@H]5CC[C@H](C4)O5)c4sccc4n3)ccc2[nH]1 45353342 XGYOLCHTMBWRGA-GASCZTMLSA-N 362.458 4.207 0 1 FIAF O=c1[nH]c(COc2cccc(O)c2)nc2c1sc1ccc(Cl)cc12 45287038 SARSRHFTCLKGJD-UHFFFAOYSA-N 358.806 4.076 0 1 FIAF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(OC)ccc2c1=O 49069702 LWEMFPJHVREVBZ-UHFFFAOYSA-N 357.793 4.034 0 1 FIAF O=C(Cc1cccc(O)c1)OCc1ccc(-c2nc3ccccc3o2)cc1 653837879 JXYRDCGLMJNPLJ-UHFFFAOYSA-N 359.381 4.486 0 1 FIAF Cc1cnc2[nH]c([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)nc2c1 587198292 DQQSGSWXLROURF-KRWDZBQOSA-N 352.438 4.232 0 1 FIAF O=C(c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655672 DXLAPLNVZCSOCO-UHFFFAOYSA-N 362.335 4.030 0 1 FIAF O=C(c1ccccc1)c1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1 586906395 MAOOTLCWIQPRIA-MOSHPQCFSA-N 366.376 4.462 0 1 FIAF O=c1ccc(-c2nc3cnccc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587059223 VFJMXABISOYJJF-UHFFFAOYSA-N 371.227 4.142 0 1 FIAF CC(=O)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587822499 KYZWPMKQEDOMPA-SVKFGRERSA-N 354.263 4.097 0 1 FIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 587195837 KULMKTYRGQWHNZ-UHFFFAOYSA-N 373.844 4.305 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2nccnc2c1 587586592 KUSVAGCZKZBBLW-DENIHFKCSA-N 370.364 4.038 0 1 FIAF COC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796295 SYWSMJXPHHOHSC-SGTLLEGYSA-N 364.258 4.012 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)c(N)c(F)c1F)CC2=O 587465981 KRQHXMJZDZAJIY-LJQANCHMSA-N 365.351 4.225 0 1 FIAF CCc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587956349 XZWSKTXQJLAWJK-UHFFFAOYSA-N 358.344 4.262 0 1 FIAF Cc1cnc(Cl)c2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 587167722 QULSDJNANXKCOY-ZDUSSCGKSA-N 373.819 4.428 0 1 FIAF Cc1nc(O)nc(S)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209853 VIXSSBVQRUYACT-UHFFFAOYSA-N 371.421 4.206 0 1 FIAF CCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587775068 YSAQRKOUTXHFEW-QGHHPUGFSA-N 365.246 4.006 0 1 FIAF Cc1nccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587804609 RUEFTEOIQTYQQK-DYBLOJMWSA-N 374.257 4.397 0 1 FIAF CC(C)(C)OC(=O)NC[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587513122 PXZNAULSEFOQCQ-JOCHJYFZSA-N 371.477 4.204 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N(C)C)N1 587755030 LNJHXQVGQGGARN-ADLMAVQZSA-N 363.274 4.278 0 1 FIAF CC[C@]1(c2cc(C(=O)O)ccc2F)c2ccc(F)cc2C[C@@H]2CCCN21 963113189 SGHIWISWVWAVCB-HRAATJIYSA-N 357.400 4.337 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@]3(CC(C)(C)CCc4ccccc43)c3cccc1c32 963033145 PVDJIUPAXHSVKL-OSPHWJPCSA-N 360.501 4.346 0 1 FIAF C[C@]1(c2ccncc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962958326 OCDFSLSMIRLDAM-GOSISDBHSA-N 362.395 4.015 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@H]2c1cc(-c2ccc(F)cc2)on1 963259805 UTTULZQQRLRLSU-IBGZPJMESA-N 358.800 4.378 0 1 FIAF CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(C(C)=O)cc3)n2)s1 1772608832 KJUXFEGCBFAJAK-UHFFFAOYSA-N 372.475 4.480 0 1 FIAF CC[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 1772651047 OXEPCEKHFXSYBU-IJLUTSLNSA-N 374.433 4.144 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 13298274 MPXJSJVWSXWSNI-KIXSXNLPSA-N 372.505 4.265 0 1 FIAF Cc1ccc(-c2ccc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)cc2)o1 19220061 SPWQLXRVUXCRSH-UHFFFAOYSA-N 372.428 4.321 0 1 FIAF CN1C/C=C\COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 169356869 QKJJEBZDSXDZMC-IHWYPQMZSA-N 372.472 4.405 0 1 FIAF Cc1cc(Nc2ccc(C(=N)N)cc2)nc2cc(Br)ccc12 13535236 INKQWXJBBJTDCH-UHFFFAOYSA-N 355.239 4.333 0 1 FIAF CN(C)CCCNc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12 13761234 FDUCGFFIAJHBIR-UHFFFAOYSA-N 355.869 4.212 0 1 FIAF CN(CC[C@H](Cc1ccc(C(F)(F)F)cc1)c1ccccc1)CC(=O)O 26168959 WQENIDXTBDSAHR-QGZVFWFLSA-N 365.395 4.438 0 1 FIAF O=c1[nH]c([C@H]2CC[C@H](N3CCC(c4ccccc4)CC3)C2)nc2ccccc12 28898957 LJIFLONRFXAXBZ-PMACEKPBSA-N 373.500 4.439 0 1 FIAF O=C(NC1CCCC1)c1noc(-c2ccc(Cl)cc2)c1Br 66073748 LFULHXXPVXGKHE-UHFFFAOYSA-N 369.646 4.430 0 1 FIAF CNCc1csc(/C=N/Nc2ncnc3sc([C@@H](C)C(C)C)cc23)n1 72317949 YGPVQSQZKGOTRY-JPCQQDDMSA-N 374.539 4.073 0 1 FIAF C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3C(C)(C)[C@@H](O)CC[C@]32C)[C@@]12C=C(O)C(=O)O2 85899319 WXKINGCYMWMSHZ-KESAMYTGSA-N 362.510 4.374 0 1 FIAF biogenic C=CC(=O)N1CCc2c(sc3ncnc(Nc4ccc(CC)cc4)c23)C1 103297812 IGTJYNJVGNSKLF-UHFFFAOYSA-N 364.474 4.068 0 1 FIAF O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2ccccc2F)O1 140065610 RETSDKVSYUCURH-NHCUHLMSSA-N 358.372 4.143 0 1 FIAF Nc1nc(NC(=O)c2ccccc2)ccc1-c1ccccc1OC(F)(F)F 142630030 KVHIYIURFFIYHO-UHFFFAOYSA-N 373.334 4.482 0 1 FIAF CNc1ccccc1N1C(=O)CS[C@@H]1c1cccc(Br)c1 169342626 AGQHVUSZZOPUTO-MRXNPFEDSA-N 363.280 4.269 0 1 FIAF CCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccccc1 169357728 ROECTXSVAJVSEX-VSKRKVRLSA-N 368.525 4.085 0 1 FIAF COc1cc(CCc2ccccc2)c(OC)c(OC)c1/C=C/C(C)(C)O 238755119 VAWLOHIDGSDNAL-BUHFOSPRSA-N 356.462 4.282 0 1 FIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cccc(F)c3[nH]2)cs1 587018961 DCXDTFTZCNJPAD-UHFFFAOYSA-N 367.409 4.393 0 1 FIAF COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1OC 587068121 ZDZDFQQDUFQEIS-LLVKDONJSA-N 374.824 4.460 0 1 FIAF CCOC(=O)[C@@H]1[C@@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@H]21 587098458 SGQMBPUGGIZOPC-CDHQVMDDSA-N 369.420 4.203 0 1 FIAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1cccnc1 587107825 VCDMKEAIYQSUAL-UHFFFAOYSA-N 350.377 4.267 0 1 FIAF Oc1nc2cc3nc(/C=C\c4c(F)c(F)c(F)c(F)c4F)[nH]c3cc2[nH]1 587134143 JFPDSDWVPVNDHE-UPHRSURJSA-N 366.249 4.011 0 1 FIAF O=C1COc2cc3[nH]c(-c4cccc(-c5ccccc5F)c4)nc3cc2N1 587152900 GVQNMPDFMNVZHO-UHFFFAOYSA-N 359.360 4.367 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(C(F)(F)F)c1)O2 587382432 PTPZZKBFCPQIPN-KRWDZBQOSA-N 351.324 4.182 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587424338 NLLYBHOEEUKINI-KKSFZXQISA-N 374.383 4.436 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccccc1)CC2=O 587469964 JYTDZHYYAMRJSW-OAQYLSRUSA-N 353.418 4.097 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2sc(=N)[nH]c21 587495553 PAAGPZURMXISLG-FQEVSTJZSA-N 372.490 4.047 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccco1)c1ccco1 587616632 LINYMYHPINODNX-LJQANCHMSA-N 374.348 4.484 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)s2)N1 587844841 BYHBVGMSFOGUJC-XXFAHNHDSA-N 369.303 4.339 0 1 FIAF FC(F)(F)Oc1cccc(-c2cnc3cnc(-c4cccnc4)cn23)c1 653665389 ORRJSQXXNMXDBO-UHFFFAOYSA-N 356.307 4.357 0 1 FIAF COC(=O)c1cc2c(F)c(F)c(-n3cnc4ccccc43)c(F)c2s1 653771423 XLXNQWDDBMGSFE-UHFFFAOYSA-N 362.332 4.444 0 1 FIAF O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccncc2)N1c1nc2ccccc2s1 1772630442 SJNTWDFBFVLXMN-MOPGFXCFSA-N 373.437 4.227 0 1 FIAF C[C@H](Oc1ncc(NC(=O)Cc2ccncc2)cc1Cl)c1ccccc1 1857641054 IQFACHIXVNTGSA-AWEZNQCLSA-N 367.836 4.451 0 1 FIAF Nc1ccccc1NC(=O)/C=C/c1ccc(CN2CCc3ccccc32)cc1 1857743791 SSNPXTROXYWSEC-BUHFOSPRSA-N 369.468 4.483 0 1 FIAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(COc2ccc(F)cc2)o1 2356315690 GIYHCHFROKVMFL-FCEWJHQRSA-N 374.456 4.177 0 1 FIAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356533405 CUBPKSUGCMULEZ-PLRQNKPASA-N 350.458 4.286 0 1 FIAF CC=Cc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c(O)c(OC)c1)[C@H](C)O2 2356545863 QLUCOUQWVFZTNA-FKIZINRSSA-N 372.417 4.352 0 1 FIAF CCN(CC)C(=O)c1sc2nc(=S)n(-c3ccccc3)c(O)c2c1C 253987402 SYSJMLDQEPPLOY-UHFFFAOYSA-N 373.503 4.313 0 3 FIAF CCOc1cc([C@@H]2c3c(C)n[nH]c3N=C3CC(C)(C)CC(=O)[C@@H]32)ccc1O 13597169 OSLSYBUAWWVOKT-RTBURBONSA-N 367.449 4.046 0 1 FIAF COc1ccc(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 13612103 RYAFWCGRSKQYBC-UHFFFAOYSA-N 359.385 4.130 0 1 FIAF COc1ccc(C[C@H]2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC 13756928 ODXWUVNDEWRVGP-LJQANCHMSA-N 350.462 4.231 0 1 FIAF O=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)Nc1ccccc1 13824833 GKVBIUFQTYOHPJ-UHFFFAOYSA-N 362.820 4.390 0 1 FIAF O=C(Nc1cccc2ccccc12)c1nc(-c2cccs2)nc(O)c1O 28820253 KYUOTGDJVWOBJR-UHFFFAOYSA-N 363.398 4.022 0 1 FIAF COc1ccc([C@H]2CC(=O)N(c3cccc(O)c3)C2)cc1OC1CCCC1 34820561 XDMYADLDAAUMIY-INIZCTEOSA-N 367.445 4.243 0 1 FIAF O=C(c1ccc(NCCn2cncn2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 64559678 GYOLLZWNPZHCEI-RTBURBONSA-N 366.852 4.030 0 1 FIAF CCOc1ccc(-c2csc(NCC(=O)NC3CCCCC3)n2)cc1 82195834 MUFZJDGMXNPFGL-UHFFFAOYSA-N 359.495 4.070 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2)n1 82214739 WJXSAFFIVWNPCE-MRXNPFEDSA-N 352.482 4.226 0 1 FIAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4Cl)ccc3N(C)[C@@H]12 84466240 KRLSZAWPQHIBFP-QUCCMNQESA-N 371.868 4.320 0 1 FIAF COC(=O)c1cccc(Cn2c3ccccc3c3oc(C(=O)OC)cc32)c1 96917753 XCPXPVVKSYGIGM-UHFFFAOYSA-N 363.369 4.009 0 1 FIAF COc1ccc(-c2ccc3c(c2)CCc2nn(-c4ccccn4)c(O)c2-3)cc1 101463423 NMYBSUDPSPTCKW-UHFFFAOYSA-N 369.424 4.414 0 1 FIAF O=C1[C@H]([C@@H](O)c2ccc(C(F)(F)F)cc2)CCCN1Cc1ccccc1 103282516 BVIZHIWREDUGIA-ROUUACIJSA-N 363.379 4.178 0 1 FIAF CCOC(=O)/C=C1/CC[C@@H]2[C@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169359462 SLLCGKGKUIUVBU-SKZICPKCSA-N 371.521 4.465 0 1 FIAF CCOC(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 299858453 RVCFANTZHDHOCQ-UHFFFAOYSA-N 359.857 4.235 0 1 FIAF Cc1nn(CCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1[C@H]1[C@H](C2)C1(C)C 504096542 QMDLUNXWUGBDBI-WSBRVHRESA-N 369.553 4.305 0 1 FIAF biogenic CCOCc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)o1 586903729 UBAOSKAAVABIKV-UHFFFAOYSA-N 357.154 4.400 0 1 FIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)c(F)c(F)cc3[nH]2)s1 587023075 JKOQIDOLXYOIQE-UHFFFAOYSA-N 370.356 4.451 0 1 FIAF CCc1cc(OCc2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Cl 587052825 OQOQKKRCTRFRSN-UHFFFAOYSA-N 356.735 4.118 0 1 FIAF O[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)c1ccccc1Cl 587058982 KMVIIIIHCXUCBJ-CYBMUJFWSA-N 355.594 4.200 0 1 FIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)nc(Cl)c2[nH]1 587173773 AAEUUGLJWNNBTK-SNVBAGLBSA-N 364.211 4.128 0 1 FIAF O=C1C[C@@H]2CC[C@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349201 FLQPJEGAWGUGQW-CXCFMMHZSA-N 366.388 4.018 0 1 FIAF CCOc1cc(N2CCCC2)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587395171 KXSFZUBXCXGDKN-NRFANRHFSA-N 366.461 4.283 0 1 FIAF CCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(OC)ccc21 587431336 NZJLJOUJTPNPFR-ZHRRBRCNSA-N 363.413 4.167 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3oc(C(=O)O)c(C)c31)CC2=O 587475940 BFOVIPUFNZEZFB-NRFANRHFSA-N 370.401 4.141 0 1 FIAF CCCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587525004 MZQZUCBAQIGMOE-QHCPKHFHSA-N 361.441 4.331 0 1 FIAF COc1ccc2c(c1)OCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587536468 UFMSUZVMNGKKDK-QFIPXVFZSA-N 350.414 4.217 0 1 FIAF Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587547447 SRAZVPXIPRKVLH-YLJYHZDGSA-N 367.788 4.331 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Cl)cc1F 587570280 UVWUIIXNKRIHQF-HNAYVOBHSA-N 371.751 4.283 0 1 FIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1ccc(OC(F)F)cc1 587650455 WUKJPGCRAUEQCW-UHFFFAOYSA-N 365.401 4.072 0 1 FIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C 587754366 YGLOFPOGDHZZPJ-HUTHGQBESA-N 351.263 4.167 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nccnc23)N1 587778602 NGZWAMNMLYGZIM-BTDLBPIBSA-N 372.241 4.155 0 1 FIAF CCc1ccc(C(=O)CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587957204 SOQVHZYSXDSQHE-UHFFFAOYSA-N 362.408 4.266 0 1 FIAF COc1cc2ccn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2cc1OC 653748853 YFWZSGQLUFLOEH-UHFFFAOYSA-N 364.228 4.374 0 1 FIAF c1ccc(-c2cc(-c3nnc4n3N=C(C3CCCCC3)CS4)n[nH]2)cc1 653822634 HUDOWYBEANTLQD-UHFFFAOYSA-N 364.478 4.225 0 1 FIAF O=C1N(Cl)c2ccccc2[C@]12c1ccsc1CCN2Cc1ccco1 962709719 OGYMQUODXHEYFV-IBGZPJMESA-N 370.861 4.143 0 1 FIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc(-c3ccccc3)cs2)N1 962904898 XRPGZFLEJCWOOX-LPHOPBHVSA-N 353.418 4.243 0 1 FIAF COCCCOc1ccc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)cc1 963097813 HRTAGWFACNLZGA-GCJKJVERSA-N 355.453 4.351 0 1 FIAF O=C(N=c1cc[nH]cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 1772587288 IAQPONQUFBLUJV-HXUWFJFHSA-N 360.392 4.026 0 1 FIAF COc1ccc([C@@H]2[C@H]3C=CC=C[C@@H]3C(=O)N2c2ccc3nc[nH]c3c2)cc1 1772642355 LZSCUGXGMFTCOP-BBTUJRGHSA-N 357.413 4.018 0 1 FIAF CCOC(=O)c1cn(CCCc2ccccc2)c2cc(Cl)ccc2c1=O 1857645593 JWGKHDVNTMRXCE-UHFFFAOYSA-N 369.848 4.464 0 1 FIAF COc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4)ccc3[nH]2)c1 13111146 VOMYYOUOVCKAGP-UHFFFAOYSA-N 370.408 4.456 0 3 FIAF aggregator CC(=O)c1ccc(O[C@@]2(C)CCN(CCOc3ccc(C)cc3)C2)cc1 61905003 HBDIKNVSJJTSDO-QFIPXVFZSA-N 353.462 4.120 0 3 FIAF CC(=O)O[C@@H]1C[C@@H]2[C@H](C)C3=CC(=O)O[C@@H]3C[C@@H]2[C@]2(C)CCCC(C)(C)[C@@H]12 2356335597 AXXGVIAGQXWYPN-GQOPUUEZSA-N 360.494 4.278 0 1 FIAF CC(=O)O[C@@H]1[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2Cc3occc3[C@@H](C)[C@@H]12 2356338350 UZCILNJWHPOAGV-WDRXBWKOSA-N 360.494 4.310 0 1 FIAF COc1ccc(-c2cnnc(CCCn3ccnc3-c3ccccc3)n2)cc1 3965563 JDAVMMNVNBTVAU-UHFFFAOYSA-N 371.444 4.044 0 1 FIAF CC=Cc1cc2c(cn1)C(=O)[C@@]1(C)OC(=O)C(=C(O)CCCCC)C1=C2 2356343929 WTEXYKPGDKLLCW-NRFANRHFSA-N 353.418 4.402 0 1 FIAF COc1cccc(CN(C)C[C@@H]2CCCN(CCc3ccccc3C)C2)c1 55053070 FWYQXRWQFDPBIS-QFIPXVFZSA-N 366.549 4.390 0 3 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc(C(C)(C)C)cc1 104014201 RUOBKMBZLOUWBG-BDBAMQCISA-N 357.450 4.405 0 1 FIAF C/C=C1/C[C@H]2C=Nc3cc(OCc4ccccc4)c(OC)cc3C(=O)N2C1 29488513 RYJCIQWTAJJFPA-DUPDZRFXSA-N 362.429 4.151 0 1 FIAF CCCNC(=O)[C@@]1(C)CCN(Cc2ccc(Oc3ccccc3)cc2)C1 61905099 BANPHKIGUSMZQN-QFIPXVFZSA-N 352.478 4.217 0 3 FIAF CCC(=O)N1CCC[C@@]1(C)C(=O)Nc1cccc(Oc2ccccc2)c1 61897827 LALAQSCUADJXAU-NRFANRHFSA-N 352.434 4.209 0 3 FIAF CNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)N(CC1CCC1)CC3 28709214 NHTWPKUCTUYFEM-RRPUWOKSSA-N 368.521 4.263 0 1 FIAF Cc1cccc(Cn2cnc3c4cccnc4n(-c4ccccc4)c(=O)c32)c1 26727669 XSZSNRRAPUYVHF-UHFFFAOYSA-N 366.424 4.092 0 1 FIAF CC(C)C(=O)N[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 61946826 YJOHLCCYNVHKKI-YUDDRCMESA-N 359.554 4.451 0 3 FIAF COCC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@@H](C)CC(=O)OC 2356463222 STFTTZAROIHWSM-PULUJUNMSA-N 366.542 4.362 0 1 FIAF Cc1cc(C)n2nc(SCc3nc(-c4cccc(F)c4)cn3C)nc2c1 113422344 NNWQYMQTHJSXEG-UHFFFAOYSA-N 367.453 4.178 0 1 FIAF COc1cc(-c2nc(CN(C)c3ccc(C)cc3)co2)cc(OC)c1OC 72180535 FMVNUXQIUUMOOC-UHFFFAOYSA-N 368.433 4.312 0 1 FIAF COc1cccc2c1C[C@@H](N(C)CCCc1c[nH]c3ccc(F)cc13)CO2 34801028 DVPDEYGRKNNDDO-QGZVFWFLSA-N 368.452 4.184 0 1 FIAF COc1cc(C(=O)c2sc(-c3ccccc3)cc2N)cc(OC)c1OC 35065301 IZHVOUOIZVXSIY-UHFFFAOYSA-N 369.442 4.254 0 1 FIAF CCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCC 73165713 BBJKNVBIXYAKII-UHFFFAOYSA-N 355.221 4.438 0 1 FIAF CCOC(=O)c1c(OC2CC(C)(C)CC(C)(C)C2)c(CC)c(C)[nH]c1=O 40976411 WZOUPIVEVKOLCB-UHFFFAOYSA-N 363.498 4.406 0 1 FIAF COc1cc2c(cc1OC)/C(=C/CCCN(C)Cc1ccccc1)OC2=O 1911571748 UOPVONHLTYASBY-ODLFYWEKSA-N 367.445 4.127 0 1 FIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccc(Cl)cc3)ccc12 96905959 SNLIKRRTMQMPEV-IBGZPJMESA-N 370.861 4.269 0 1 FIAF CC[C@H](C)[C@@H](CNC)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)[C@H](C(C)C)C1 253679057 RJHIDTUVERQXBY-CBZNWHGESA-N 363.634 4.089 0 1 FIAF CCCC(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc([C@@H](O)CC)c2c1O 45498241 XJMZUXUWUKIMKA-AWEZNQCLSA-N 374.433 4.139 0 1 FIAF biogenic CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc3c(c1)OCO3)CC2=O 587486422 KZGVALJMCMJVFI-OAQYLSRUSA-N 354.402 4.344 0 1 FIAF N[C@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F 587158998 ZKVLCQJNVFEDIY-MEDUHNTESA-N 353.294 4.201 0 1 FIAF COc1cnc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1Cl 587065267 WZCVJZHLVYMWNG-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)o1 587616882 NKTNAEXUHVUFCV-NQIIRXRSSA-N 350.370 4.479 0 1 FIAF O=C1C[C@@](c2ncc[nH]2)(c2cccs2)Oc2c1ccc1c2CCCC1 587531565 LWNDESRFAQWETD-FQEVSTJZSA-N 350.443 4.259 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COc2cccc(F)c2)N1 587728969 GFNBTSLWWBZOED-QGHHPUGFSA-N 368.221 4.382 0 1 FIAF COc1ccc(-c2nc3c(Br)ccnc3[nH]2)c(C(F)(F)F)c1 587095961 ZYQZNMOLQBQEEZ-UHFFFAOYSA-N 372.144 4.415 0 1 FIAF Cc1cccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n[nH]c12 587798674 VCPYXBMKFSAHBX-MGNBDDOMSA-N 374.257 4.397 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3cccn3)cc1)CC2=O 587474288 DTRVMASXJPHYHI-JOCHJYFZSA-N 362.429 4.411 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccc(Cl)cc3)nc1)O2 587380852 XKNHGRWHVSTOSK-SFHVURJKSA-N 365.820 4.394 0 1 FIAF Cc1cc(Br)c2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2c1 587158837 XZTHBPWHIACOPA-PIGZYNQJSA-N 360.230 4.114 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2F)N1 587725618 FOMIOACFNPJQII-XLFHBGCDSA-N 368.221 4.231 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@]1(c3cccc(F)c3)CCOC1)CC2=O 587465094 AILPVVGYWHBLKO-IFMALSPDSA-N 370.420 4.176 0 1 FIAF COC(=O)C[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H]1C 587107553 USMOFLNVTNQAQI-OLZOCXBDSA-N 357.409 4.285 0 1 FIAF COC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587797859 XVJCTBBZBONLFQ-XIKOKIGWSA-N 364.258 4.012 0 1 FIAF COc1nccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 586996412 PGYPLEZFMIRRPC-UHFFFAOYSA-N 362.227 4.043 0 1 FIAF O=C1CC2(Oc3c1ccc1c3CCCC1)c1ncccc1-c1cccnc12 587527361 UIZOIFJECBXCAR-UHFFFAOYSA-N 354.409 4.245 0 1 FIAF C[C@]1(c2ccc(O)cc2F)c2cccc(F)c2CCN1[C@@H]1CCSC1 962697781 HZWMQZLRQIARPD-ZUOKHONESA-N 361.457 4.298 0 1 FIAF CCc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)o1 963199137 WCOCFKGTDXGMQI-ZFWWWQNUSA-N 373.758 4.203 0 1 FIAF COc1c(F)cc([C@H]2NCCc3cnc4c(OC)cccc4c32)cc1Cl 963033875 KNKPZFMEAZNKEI-GOSISDBHSA-N 372.827 4.280 0 1 FIAF CSc1nc(N2CCCCC2)c2ccn(Cc3ccc(F)cc3)c2n1 1772640737 WCTJLMVSZAACPV-UHFFFAOYSA-N 356.470 4.331 0 1 FIAF COc1cccc(-c2nn(C)c3sc(C(=O)NC4CCCCC4)cc23)c1 5006803 WUMURYAFLNQWSA-UHFFFAOYSA-N 369.490 4.373 0 1 FIAF O=C(Oc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O)c1ccccc1 13322048 FQYXLHNQZRKBPK-LJQANCHMSA-N 360.365 4.318 0 1 FIAF biogenic O=C(c1ccccc1)N1C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O 13680109 YJTVSGRVBAKCLX-LJQANCHMSA-N 356.381 4.037 0 1 FIAF COc1c(O)ccc([C@@H]2COc3cc4c(cc3C2)C=CC(C)(C)O4)c1OC 14713095 DVQGSNPWOLEDRV-HNNXBMFYSA-N 368.429 4.312 0 1 FIAF biogenic,in-vitro CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCCC[C@@H]1N1CCCC1 26835894 KILKAFDVKRZHIX-YADHBBJMSA-N 350.506 4.248 0 1 FIAF CN1CCC(c2noc3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1 28397128 BLXNRVGVWKPHCW-UHFFFAOYSA-N 353.397 4.028 0 1 FIAF O=C(Nc1cccnc1)c1ccccc1Nc1ccnc(C(F)(F)F)c1 28455534 UYKGRBWQFYOWFW-UHFFFAOYSA-N 358.323 4.491 0 1 FIAF COc1ccc(CCNCCNc2cccc3ccccc23)cc1OC 34033196 OMNWOEHMRSVFHM-UHFFFAOYSA-N 350.462 4.101 0 1 FIAF CCc1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 38157799 WDFOVPXHJZRBDV-UHFFFAOYSA-N 370.840 4.036 0 1 FIAF Cc1ccnc(N2C(=O)CS[C@@H]2c2c(F)cccc2C(F)(F)F)c1 40833749 XKIKBGHCXGHLBI-OAHLLOKOSA-N 356.344 4.327 0 1 FIAF COc1ccc(Oc2c(C)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 66129028 BGWRLXAKBUUMEC-UHFFFAOYSA-N 350.418 4.465 0 1 FIAF CC[C@@H](C)NC(=O)c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1 82140587 ZFEWKZNXTAHKKE-CYBMUJFWSA-N 356.445 4.166 0 1 FIAF CC1(C)Oc2cc(C(=O)c3ccccc3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84724653 ABTWAWOMIJTOGW-BRWVUGGUSA-N 352.430 4.039 0 1 FIAF CC(C)Oc1ccc(Oc2ccc(CC[C@@H](C)CC(=O)CO)cc2)cn1 96167511 QXUDEQMPZXASOT-MRXNPFEDSA-N 357.450 4.181 0 1 FIAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 101755321 TXKQIJMFIKPRKR-GXWYUCKSSA-N 367.533 4.225 0 1 FIAF COc1cccc(F)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cnc2ccccc2c1 167045942 JMFKYGMKQKXEDK-KUHUBIRLSA-N 364.420 4.492 0 1 FIAF CN1C[C@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@@H]2CCCC[C@H]21 261133935 LRFSPZSJAZEPES-NJDAHSKKSA-N 357.881 4.425 0 1 FIAF O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)n1ccc2ccccc21 299822100 OXZDOSJYSVYAQL-UHFFFAOYSA-N 364.426 4.411 0 1 FIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cnc(Cl)[nH]c-3n2)c1 586878789 LCEYSYCBXSCESO-UHFFFAOYSA-N 362.820 4.473 0 1 FIAF CCCC(Br)(CCC)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586971790 XSMMIMYXPMLZNV-ZDUSSCGKSA-N 353.264 4.477 0 1 FIAF Fc1cnc(Br)c2[nH]c(CNc3ccccc3Cl)nc12 587062320 RHYDKHNLEXDUQT-UHFFFAOYSA-N 355.598 4.125 0 1 FIAF Clc1ccc(-n2cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)nn2)cc1 587075455 IVOHCEAAZLKBAC-UHFFFAOYSA-N 365.611 4.166 0 1 FIAF Cn1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C(F)(F)F)c1 587111935 ISFJZHXXVOHELD-UHFFFAOYSA-N 369.656 4.001 0 1 FIAF COC(=O)c1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cn1 587114697 XKFUARZDRRZZNG-SNVBAGLBSA-N 363.339 4.110 0 1 FIAF Fc1c(F)c(F)c(/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)c(F)c1F 587135142 UASRRNDRAGWTDR-UPHRSURJSA-N 350.250 4.305 0 1 FIAF N[C@@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1cccc2ccccc12 587258949 NGNDIZCBHAUHJR-AWEZNQCLSA-N 356.351 4.372 0 1 FIAF C[C@]1(c2ccc(F)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335582 OGPDJRBUIRQKEO-TZIWHRDSSA-N 367.351 4.340 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccccc3)[nH]c1Cl)O2 587380511 VPOCUQWYMPZBGK-HNNXBMFYSA-N 353.809 4.327 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc3c(c1)OCO3)O2 587410826 ZXTZYBPWQVLDAY-HSZRJFAPSA-N 373.408 4.215 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OC(F)(F)F)[C@@H](C2)C3=O 587420721 GYZONCFBNGZABV-SJCJKPOMSA-N 350.292 4.083 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(F)c(N4CCCC4)cc1C)[C@@H](C2)C3=O 587422506 DZZIROAIOZEACX-KSFYIVLOSA-N 367.420 4.232 0 1 FIAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587529269 MQGNPKKFHWTDNJ-GBSMKCJWSA-N 354.446 4.180 0 1 FIAF CC[C@@H](C)c1ccc2[nH]c(-c3ccnn3C)c(C(=O)c3ccnn3C)c2c1 587642274 KZWRPTKUGIAIBY-CYBMUJFWSA-N 361.449 4.046 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Cl)c2F)N1 587727627 OPXZFEUHFWHAIT-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cn(C)nc3c2)N1 587757305 GYWSNXVVXMDVAY-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COCc2ccccc2)N1 587800716 HOUWRNSHHQOWKT-XIKOKIGWSA-N 364.258 4.380 0 1 FIAF Cc1cnc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587802312 KZFFVJKYCUKUCD-BTDLBPIBSA-N 374.257 4.397 0 1 FIAF Nc1cccc(Br)c1-n1c(O)ccc1OCc1ccccc1 587937511 TZISVRNCCIWJIL-UHFFFAOYSA-N 359.223 4.107 0 1 FIAF CC(C)c1nn(C)c2c1[C@H](c1c(F)ccc(C(F)(F)F)c1F)NCC2 962919508 KWXMHFGFJRZGKJ-INIZCTEOSA-N 359.342 4.076 0 1 FIAF NC(=O)c1c(Nc2ccc(F)cc2)nc2c(Cl)ccc(Cl)c2c1O 1857557649 ODJWEGPHVAQXDB-UHFFFAOYSA-N 366.179 4.229 0 1 FIAF O=C(Nc1ccnc(C(F)(F)F)c1)Nc1ccc2c(c1)OC(F)(F)O2 1857643107 KWAQSLNFWRSTIE-UHFFFAOYSA-N 361.226 4.066 0 1 FIAF O=C(N[C@@H](CO)c1ccccc1)[C@H]1CC(F)(F)CC[C@@H]1c1ccccc1 1857764210 PCGKLTQYJLIINJ-QYZOEREBSA-N 359.416 4.055 0 1 FIAF CC(=CCCC1=CCOC1=O)CC=C[C@]1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1 2356651635 UWXJDRWZPZOIOX-QIJUGHKUSA-N 374.477 4.176 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)[C@H]2COC(=O)[C@H]21 2356798685 STUPTZTXUWQVRJ-GQQFPJJJSA-N 362.510 4.360 0 1 FIAF COc1ccc(-c2cn(Cc3ccc(C(=O)c4ccccc4)cc3)nn2)cc1 15935275 AAOSJNMHZUZHBB-UHFFFAOYSA-N 369.424 4.233 0 3 FIAF CCOC(=O)[C@H](C)N1C(=O)CS[C@H]1c1cccc(Oc2ccccc2)c1 3639528 LGUROHQUYAYSDQ-LIRRHRJNSA-N 371.458 4.005 0 1 FIAF O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccccc1)CC2 3955709 MACVNKLDGVMIRJ-UHFFFAOYSA-N 352.453 4.349 0 1 FIAF Clc1cc2c(cc1OCCCN1CCN(c3ccccc3)CC1)CCC2 26505205 INFJWVMJJVEIMN-UHFFFAOYSA-N 370.924 4.420 0 1 FIAF COc1ccc(C[C@H]2NCCc3c2[nH]c2cc(C)cc(C)c32)cc1OC 26659818 WNGFUYSKMQCFSG-GOSISDBHSA-N 350.462 4.231 0 1 FIAF COc1cc(N[C@H](C)CCCN)c2nccc(C)c2c1OC1CCCC1 28221734 PNEQXEODPXPGNJ-OAHLLOKOSA-N 357.498 4.413 0 1 FIAF Cc1[nH]cnc1C1CCN(c2ncncc2-c2ccc(Cl)cc2)CC1 36176413 XVOUKEXUZILDIB-UHFFFAOYSA-N 353.857 4.213 0 1 FIAF CN(C)CC(C)(C)CNCc1coc(-c2ccc(Cl)cc2Cl)n1 72101829 QDKRYYKYNPJJTJ-UHFFFAOYSA-N 356.297 4.326 0 1 FIAF N=C(O)c1cccc(-c2cnc3ccc(Cc4ccc(F)c(F)c4)nn23)c1 82083314 FQCHBGZUZOSYSF-UHFFFAOYSA-N 364.355 4.149 0 1 FIAF C=Cc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)c1 96272134 ZOXRGDBGFKQBHU-KRWDZBQOSA-N 368.864 4.474 0 1 FIAF COCCN(C)c1ccc(NC(=O)c2cc(-c3ccccc3)cs2)cn1 96286527 FKKURNWXLNRSEY-UHFFFAOYSA-N 367.474 4.145 0 1 FIAF CCOc1ccc(Br)cc1-c1oc2ccccc2c(=O)c1O 96923912 BLAVBEQGJZCAGI-UHFFFAOYSA-N 361.191 4.327 0 1 FIAF CCC[C@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 101796509 ASRGIKPNODZIHT-ZQAWKMMESA-N 367.533 4.456 0 1 FIAF COC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1)CCCCC2 103300921 WRPQDAYSHWMGHU-UHFFFAOYSA-N 374.462 4.456 0 1 FIAF Fc1ccccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 140198475 KDPIHHGZPGXTSY-UHFFFAOYSA-N 356.404 4.435 0 1 FIAF COc1ccc(-c2nn(-c3ccc4ccccc4n3)c3ncncc23)cc1 169308776 AGONZPZYZHTIOQ-UHFFFAOYSA-N 353.385 4.039 0 1 FIAF Cc1oc2c(c1-c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)C(=O)CCC2 586904384 UKHAPBRYLZYFCN-UHFFFAOYSA-N 370.718 4.064 0 1 FIAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 586909320 YJJYCLDKEGAHCN-QMMMGPOBSA-N 363.186 4.045 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CN(C1CCCC1)CC3 586987976 JKQBRYJUADTPOB-UHFFFAOYSA-N 370.452 4.453 0 1 FIAF CCc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 587013891 CUTQWAYJOGJTEQ-UHFFFAOYSA-N 358.467 4.274 0 1 FIAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 587159580 SKTPCMXYWHVFHI-UHFFFAOYSA-N 364.771 4.103 0 1 FIAF Fc1ccc2c(c1)C[C@H](c1nc3ccc(Br)c(F)c3[nH]1)O2 587175276 XEGVTSQTPHBSSL-GFCCVEGCSA-N 351.150 4.280 0 1 FIAF C[C@@H](C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccccc1 587274506 WXESZFWETDPKIJ-SNVBAGLBSA-N 360.207 4.069 0 1 FIAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)no1 587348932 SNHHQEUQIAFGFB-UYAOXDASSA-N 353.349 4.102 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(Br)cc1C)O2 587381885 MQBLZFGHHKOWEL-INIZCTEOSA-N 364.214 4.494 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@@H]1CCCN1C(=O)OC(C)(C)C)O2 587396140 PRXWQESQGIBWQB-LHSJRXKWSA-N 374.481 4.091 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(C=COc3cc(OC)ccc31)CC2=O 587485808 KBCLXNBGSNZIJI-NRFANRHFSA-N 352.386 4.120 0 1 FIAF Cc1cncc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587588120 RWZYVMWPRIVNTG-QUCCMNQESA-N 361.397 4.059 0 1 FIAF COc1ccc2c(c1)[C@@H](c1ccc(OC)c(O)c1Cl)N(C(C)C)CC2 962086859 DIUXVTUBAPYJEF-LJQANCHMSA-N 361.869 4.419 0 1 FIAF CN(C)c1ccccc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962716811 WGLBXHDBQDEKKV-QVKFZJNVSA-N 356.510 4.345 0 1 FIAF CC(C)(C)OC(=O)N1CC(C[C@H]2NCCc3c(Cl)cc(Cl)cc32)C1 963109344 MEEDDTXAWCCBOM-MRXNPFEDSA-N 371.308 4.437 0 1 FIAF CC(=O)N(C)c1cccc([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)c1 963114549 VNVBIJHDUUIHSY-SIKLNZKXSA-N 352.453 4.092 0 1 FIAF Oc1cccc([C@]23CCC[C@H]([C@@H]2O)N(C[C@@H]2C[C@@H]2c2ccccc2)CC3)c1 1772573896 QIHQXOJGQNRHKT-DEMACUESSA-N 363.501 4.053 0 1 FIAF CCOC(=O)[C@H](C)CCCN[C@]1(c2ccccc2Cl)CCCCC1=O 1857539910 AUGQBVXMRUMYDR-QRWLVFNGSA-N 365.901 4.247 0 1 FIAF CC(C)Cc1ccc([C@@H](C)C(=O)OCCC(=O)NCc2ccccc2)cc1 1857556619 SVBHMPVDGHLTPW-GOSISDBHSA-N 367.489 4.238 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@H]2[C@@]1(C)C[C@H](O)C[C@@]2(C)CO 2356461881 WZZRZMFFZNXNGP-YXIAPDDASA-N 364.526 4.018 0 1 FIAF CCOC(=O)N(CC(C)(C)N)C1(c2ccc(F)c(C(F)(F)F)c2)CC1 2382223943 INUPRKJGJNZLJC-UHFFFAOYSA-N 362.367 4.029 0 1 FIAF CC1CCN(CCCNC(=O)c2ccc3c(c2)ncn3C2CCCC2)CC1 15879119 MZNSCMJPMCPTTD-UHFFFAOYSA-N 368.525 4.003 0 3 FIAF C[C@H]1C[C@@H](C)CN([C@H](CCc2ccccc2)C(=O)NC2CCCCC2)C1 263590907 CVCXZAHQAPPXNX-XQBPLPMBSA-N 356.554 4.415 0 3 FIAF CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2 3638572 OKAKRHWPLZWVDX-UHFFFAOYSA-N 374.893 4.119 0 1 FIAF CC(C)C[C@@H]1[C@@H](OCc2ccccc2)CO[S@@](=O)N1Cc1ccccc1 5840956 UPNNHCINTOBUBN-SWYRRKHMSA-N 373.518 4.098 0 1 FIAF Cc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1 13560013 PMFGUFKMTACZHR-UHFFFAOYSA-N 367.412 4.227 0 1 FIAF S=C(NCCc1cccc(Oc2ccccc2)c1)Nc1nccs1 13744867 KXHQRQPUFMBQAB-UHFFFAOYSA-N 355.488 4.465 0 1 FIAF CCC(=O)N1[C@H]2CC[C@@H]1[C@H]1CC[C@@H]2N1C/C=C/c1cccc2ccccc12 13808588 RLLOCRZIVJPXPL-JGJLDKJFSA-N 360.501 4.469 0 1 FIAF C[C@@](CO)(CCCOCCC[C@@](C)(CO)c1ccccc1)c1ccccc1 28459779 UKNKRMSLEXHXAN-ZEQRLZLVSA-N 370.533 4.464 0 1 FIAF Cc1ccc([C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3)O2)cc1 28766072 KKNGDXTXRQOVRK-VQTJNVASSA-N 354.837 4.486 0 1 FIAF O=C(CN1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 39747828 DZMRWMYUJQXTSB-UHFFFAOYSA-N 356.469 4.359 0 1 FIAF CS(=O)(=O)c1ccc(-c2nc3ccccn3c2Nc2ccccc2)cc1 40891584 GCOQELDYAGXONS-UHFFFAOYSA-N 363.442 4.148 0 1 FIAF CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3F)CC2)cc1 40952385 ICKPAMYXVUHXSS-UHFFFAOYSA-N 353.441 4.293 0 1 FIAF CC(C)c1ccc(C(=O)C[C@H](C(=O)Nc2ccccc2)n2ccnc2)cc1 45388695 HMAAPDMBZUECQL-HXUWFJFHSA-N 361.445 4.459 0 1 FIAF O=C1S/C(=C\c2ccc3ccccc3c2)C(=O)N1CC(=O)C(F)(F)F 49583063 KEBDXRUERQZNID-JYRVWZFOSA-N 365.332 4.008 0 1 FIAF CC1(C)CC(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC(C)(C)C1 52912453 WUKQRLCFDFGUKK-UHFFFAOYSA-N 354.853 4.139 0 1 FIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C 85670993 CCRPRTUMLVVFRR-WIRVCHQWSA-N 358.434 4.200 0 1 FIAF biogenic COc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NC[C@H]3C)c1 116991413 IXEZIIQLWDZTPK-CQSZACIVSA-N 359.429 4.348 0 1 FIAF Cc1cc(C)c2nc(C(F)(F)F)cc([C@H](O)C[C@H]3CCCCN3)c2c1 169334037 KXGCWJQQFJMQKK-CZUORRHYSA-N 352.400 4.436 0 1 FIAF CC1=N[C@]2(CCOc3ccc(-c4cc(Cl)cc(Cl)c4)cc32)N=C1N 169708508 BTQYJGMMVLMRIM-GOSISDBHSA-N 360.244 4.427 0 1 FIAF Cc1cc2cc(OCC(=O)O)ccc2n1Cc1ccc(O)c(C(C)C)c1 299857190 MGYWONRBKNTYDL-UHFFFAOYSA-N 353.418 4.290 0 1 FIAF CC(C)(C)c1ccc2nc(C(F)(Br)Br)[nH]c2n1 587087341 ORSVOKAFNSZDNB-UHFFFAOYSA-N 365.044 4.125 0 1 FIAF O=C(CCc1nc2cccc(Br)c2[nH]1)Nc1cccc(F)c1 587163394 QISRPDKOVUIINV-UHFFFAOYSA-N 362.202 4.036 0 1 FIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(O)c2[nH]1 587190753 NCSGAKUJHIHQFO-QGZVFWFLSA-N 353.422 4.225 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)ccc1Br)O2 587384493 FRAZLJWCRJFOIG-KRWDZBQOSA-N 364.214 4.359 0 1 FIAF Cc1ccc([C@]2(CCn3ccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587392241 YAAXCGWUVUEOBQ-QFIPXVFZSA-N 361.445 4.033 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(F)c1C(F)(F)F)[C@@H](C2)C3=O 587420249 JGNLDBJAVIJFNT-GTNSWQLSSA-N 352.283 4.342 0 1 FIAF CC[C@@H](C)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587438222 DDVQCZYUVJLVHD-JJJFATQHSA-N 368.429 4.370 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](C2)C3=O 587440096 NYPIIEKFYIARPF-OXJNMPFZSA-N 366.413 4.139 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)s1)([C@H](C)O)CC2=O 587496670 ZPCUGYXNRLPYMV-XTZNXHDOSA-N 366.866 4.301 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(F)cc1 587570952 MXEAQOBZZPJAKJ-ICSRJNTNSA-N 364.372 4.494 0 1 FIAF CCC[C@@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617085 OTZXHJVTIGROQI-CFCCAZDESA-N 354.402 4.072 0 1 FIAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2Cn2cncn2)cc1 587631659 GKWILDPDQPWLMS-UHFFFAOYSA-N 356.788 4.276 0 1 FIAF CC(C)[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587770606 ATHYORYZTFKNCK-KPZWWZAWSA-N 363.274 4.417 0 1 FIAF Cc1cc2c(cn1)[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587779581 UJKDQGDEBZTFLM-ZMZPIMSZSA-N 361.258 4.016 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1CCCO[C@H]1C2(C)C 587841778 NZEPCYRIDVIHFB-PQNMDKLMSA-N 368.290 4.153 0 1 FIAF COc1ccc(NC(=O)Nc2cncc3nc(-c4ccccc4)cnc23)cc1 653718789 GPWYEGZCLUSIDX-UHFFFAOYSA-N 371.400 4.344 0 1 FIAF Cc1cc(S(=O)(=O)N2CC[C@@H](F)[C@@H]2c2ccc(F)cc2)cc(C)c1F 653766397 WVCGIOBBHJGFNT-AEFFLSMTSA-N 369.408 4.055 0 1 FIAF COc1cccc(OC)c1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962701967 LVBRNBICVOVHIX-SPLOXXLWSA-N 373.493 4.296 0 1 FIAF CC(C)(C)OC(=O)N1CC(C[C@@H]2NCCc3c(Cl)cc(Cl)cc32)C1 963109341 MEEDDTXAWCCBOM-INIZCTEOSA-N 371.308 4.437 0 1 FIAF CCOC(=O)/C=C/c1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 1772579380 POYUVULVEFOBOT-AQASXUMVSA-N 368.429 4.459 0 1 FIAF COc1cc(/C=C/C(=O)Nc2ccccc2)ccc1OCCCCN(C)C 1772581960 GDUYHJPEMHCXNI-WYMLVPIESA-N 368.477 4.068 0 1 FIAF O=C(N=c1cc[nH]cc1)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 1772587287 IAQPONQUFBLUJV-FQEVSTJZSA-N 360.392 4.026 0 1 FIAF Cc1cc(OCCn2ccc3ccc(OCC(=O)O)cc32)cc(C)c1Cl 1772623466 AGPLGMAGZCSFPI-UHFFFAOYSA-N 373.836 4.454 0 1 FIAF COC(=O)[C@]1(C=C2c3ccccc3[C@H](OC)[C@@H]2C)[C@H]2Oc3ccccc3[C@@H]21 1857621832 ASIWMRFKVKKMJP-RHSDISIPSA-N 362.425 4.125 0 1 FIAF COc1c([C@H](O)CC(C)C)ccc2c1Oc1c(O)cc(C)cc1COC2=O 2356540406 WTPJMCRVDYJMNT-MRXNPFEDSA-N 372.417 4.251 0 1 FIAF CCCNC(=O)[C@]1(C)CCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 61895676 JJBXTURMBLPEOL-MRXNPFEDSA-N 362.823 4.097 0 3 FIAF CCc1cnc(Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)nc1 61905168 OGOHTNPFBYSPRP-CQSZACIVSA-N 359.886 4.135 0 3 FIAF O=C(NCc1cccc(Cl)c1)[C@H]1Cc2c(-c3ccccc3)ccnc2O1 61926807 RHVWMHMPWFGILM-LJQANCHMSA-N 364.832 4.022 0 3 FIAF Cc1ccc(NC(=O)c2cccs2)c(-c2nc3ccccc3[nH]c2=O)c1 4386635 MTPLAVMIMIGCBW-UHFFFAOYSA-N 361.426 4.212 0 1 FIAF Cc1nc2ccccc2c2oc(C(=O)NCCCN3CCC(C)CC3)cc12 4902158 UKTGTHRVLPFQQU-UHFFFAOYSA-N 365.477 4.141 0 3 FIAF C[C@]12CO[C@@H](C1)[C@H](COCc1ccccc1)[C@H]2C/C=C/CCCC(=O)O 100757401 UBCWSGJBNGDBOC-YWIHZUTJSA-N 358.478 4.446 0 1 FIAF Cc1cc(C)c(NC(=O)Nc2ccc(OC(C)(C)C(=O)O)cc2)c(C)c1 26395808 DGBYWLCXRVZKNY-UHFFFAOYSA-N 356.422 4.498 0 1 FIAF CCn1cc(C(=O)O)c(=O)c2ccc(/C=C/c3nc(C(C)C)cs3)cc21 27426155 LLHIJHYSHJWKLV-SOFGYWHQSA-N 368.458 4.470 0 1 FIAF CC(C)=CCc1c(O)cc2c(c1C)Oc1c(C=O)c(O)cc(C)c1C(=O)O2 6069772 YCVIERNKAZOGOU-UHFFFAOYSA-N 368.385 4.361 0 1 FIAF biogenic CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)NCC)c1-3 35930570 AUWJEOYYGQLWQK-GOSISDBHSA-N 350.462 4.327 0 1 FIAF Cc1ccccc1COc1cc(-n2cnc3ccccc32)sc1C(N)=O 40935836 WDCZFVDKEGZRSJ-UHFFFAOYSA-N 363.442 4.073 0 1 FIAF CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(OC)cc1 82154646 YVKBNHZKXBXDSC-WJDWOHSUSA-N 362.223 4.084 0 1 FIAF C[C@H](COc1ccc(Oc2ccc(O)cc2)cc1)Oc1ccc(O)cn1 238735150 VAYKPSKEGIJGQL-CQSZACIVSA-N 353.374 4.131 0 1 FIAF Cc1ccc(-c2nnc(S)n2-c2ccc3cc(C(=O)O)sc3c2)cc1 96273170 URDVTSSPODQHGO-UHFFFAOYSA-N 367.455 4.444 0 1 FIAF Cc1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)cn1 95579234 MHVVFDUISIWISF-UHFFFAOYSA-N 363.808 4.005 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@@H]32)C1 79917769 PXJSGBDQUJYNKD-MTMZYOSNSA-N 374.521 4.059 0 1 FIAF biogenic CC[C@@]1(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CCCNC1 2382241887 ICAYWDBIWWQYCA-LJQANCHMSA-N 355.873 4.222 0 1 FIAF COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCC2)CC1 299867699 YKSIZFAAHBYGMG-UHFFFAOYSA-N 364.917 4.406 0 1 FIAF O=C(O)C[C@@H]1COc2cc(OCc3cccc(N4CCCCC4)c3)ccc21 653726155 LWHNLNPNRIPJSJ-QGZVFWFLSA-N 367.445 4.207 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1CC 587870453 JQDVEZHKRHHFKY-UHFFFAOYSA-N 368.408 4.370 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3cccnc3c2)N1 587779518 SYZYRTXVTYZBRL-MLCYQJTMSA-N 372.241 4.155 0 1 FIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587772797 WZDIDMGHDIJKNL-ADLMAVQZSA-N 363.274 4.398 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCSc4cc(F)c(F)cc41)[C@@H](C2)C3=O 587427523 JGHDLQUPJCIJKY-HXPMCKFVSA-N 360.381 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(F)cc1)CC2=O 587466356 KMIPIIBYDFSDKS-OAQYLSRUSA-N 372.392 4.209 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)ncc3[nH]1)CC2 587937444 LOZUWSRIFKUBQJ-NSHDSACASA-N 358.239 4.002 0 1 FIAF Oc1cc(-c2ccco2)c(O)n1-c1cnc2cc(Br)ccc2c1 587939700 KMAHTCMURYHVJQ-UHFFFAOYSA-N 371.190 4.459 0 1 FIAF Cc1cc(OC(C)(C)C)n(NCc2ccccc2Br)c1O 587940021 IMRVWFCZAUBLOV-UHFFFAOYSA-N 353.260 4.186 0 1 FIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(F)c4[nH]3)cc2N1 587124151 LWSIBOJDEBRUMV-LHLIQPBNSA-N 357.286 4.012 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N(C)C)N1 587755035 LNJHXQVGQGGARN-ZMZPIMSZSA-N 363.274 4.278 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccnc3[nH]2)N1 587801614 HJJUNQGWUDFDQR-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF Nc1c(-c2nc3ccc(CO)cc3[nH]2)sc2cc(Br)ccc12 587032276 SJJCEOXYVYYVPZ-UHFFFAOYSA-N 374.263 4.282 0 1 FIAF FC(Br)(Br)c1nc2ccc3c(c2[nH]1)CCCC3 587087394 PQPNOIBDADHOHV-UHFFFAOYSA-N 362.040 4.311 0 1 FIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587784736 IMJLVZXUHOGQHD-ZJUUUORDSA-N 364.298 4.063 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCCCCC2)N1 587766541 NWJAERLXORRQJA-SCLBCKFNSA-N 369.322 4.214 0 1 FIAF Fc1cc2[nH]c([C@H]3SCCc4sccc43)nc2cc1-n1cccn1 587037831 ZCMWGHHJBNPFQH-INIZCTEOSA-N 356.451 4.328 0 1 FIAF Cc1ccc2oc([C@]3(C)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)cc2n1 962765083 LYOFRBVANYHOQF-HNAYVOBHSA-N 374.362 4.045 0 1 FIAF CC(=O)OC[C@H](O)[C@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 169675964 WUALPRBWJZSIGL-HNJSAKBSSA-N 366.542 4.481 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714109 KTLWATLWLZJCED-JIXKXSJPSA-N 372.553 4.174 0 1 FIAF COc1ccc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)c1 1857634037 RELLPRKUGXVDBP-UHFFFAOYSA-N 360.417 4.396 0 1 FIAF O=C(Nc1ncc(Cc2cccc3nsnc23)s1)C1CCCCC1 1857756969 YTMQDOOXWYCOQB-UHFFFAOYSA-N 358.492 4.257 0 1 FIAF O=c1cc(N2CCOCC2)oc2ccc(-c3cccc4ccccc34)cc12 13677099 ALYIMYTWUBXFRH-UHFFFAOYSA-N 357.409 4.450 0 1 FIAF in-vivo COC[P@](=O)(O)[C@H](CCC/C=C(\C)CCC=C(C)C)P(=O)(O)O 13742098 CAOYIFBVILXMOX-HNRFISLBSA-N 368.347 4.228 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(C)c1 28820627 VPBRSFFMKTUJNN-MRXNPFEDSA-N 356.491 4.003 0 1 FIAF COc1ccc2cc(S[C@@H]3SC(=O)NC3=O)ccc2c1C(F)(F)F 29218473 QIFFVEWTYAZGIV-CYBMUJFWSA-N 373.377 4.268 0 1 FIAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN[C@H]2N3C)cc1 29544957 ROYFCSCGFOUJGP-UNMCSNQZSA-N 365.477 4.448 0 1 FIAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@]3(C)CCC[C@@](C)(O3)[C@@H]2O1 38880354 XBXWRLRZRQRZHE-UDWPLSEGSA-N 364.526 4.496 0 1 FIAF CCN(C)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82133817 QUNXXHKNAFKGNE-UHFFFAOYSA-N 352.482 4.228 0 1 FIAF COc1cc2c(c3c1C(=O)C[C@@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2 95486273 FMFCFFOLQZZBDX-INIZCTEOSA-N 352.386 4.292 0 1 FIAF biogenic,in-vitro O[C@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185059 LEBXHMQTGORPIS-NGRWLJPCSA-N 350.437 4.322 0 1 FIAF CC(C)C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)OC(C)C 103186404 LIVFJZCBDJCWHH-BVBGJJFLSA-N 372.292 4.489 0 1 FIAF CC1(C)CC2=Nc3nc(S)nc(O)c3[C@@H](c3ccc(O)cc3)C2=C(O)C1 104083391 ODLPCGHONAMVFA-ZDUSSCGKSA-N 369.446 4.027 0 1 FIAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(-c5ccccc5F)n4)c3c2)o1 145392671 FUGVOKHOINFPBY-UHFFFAOYSA-N 372.363 4.063 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCSCC(=O)O 149990098 HXKXLQBESTZVLE-KDHCPSCYSA-N 356.528 4.067 0 1 FIAF Cn1cc(-c2ccc3c(c2)CC[C@H]3N=O)c(-c2ccc3c(cnn3C)c2)n1 169686145 DXWKANKMOAIVKQ-LJQANCHMSA-N 357.417 4.395 0 1 FIAF C/C=C(/C)C(=O)O[C@@H]1/C=C(/C(=O)O)CC[C@H]2O[C@@]2(C)CCCC1(C)C 238773010 RXOWAMFDTROMMX-UQYTXVBCSA-N 350.455 4.023 0 1 FIAF CCCCC/C=C\C[C@H](O)[C@@H](/C=C/[C@@H]1CC=CCCCC(=O)O1)OC 299806718 NGVOPKDYDKTASH-QNHJWGKMSA-N 350.499 4.487 0 1 FIAF OCC12CCC(c3nc4ccc(F)c(Br)c4[nH]3)(CC1)CC2 586895222 AGKVJJYPAYWJQU-UHFFFAOYSA-N 353.235 4.049 0 1 FIAF Cc1nc(C)c(Cc2nc3c(Cl)c(Br)cnc3[nH]2)s1 587011716 JPGBTCAXOPIOSY-UHFFFAOYSA-N 357.664 4.038 0 1 FIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(Cl)c3[nH]2)cs1 587014119 LGZLLVUYZGMUSB-UHFFFAOYSA-N 364.858 4.365 0 1 FIAF Fc1cnc(Br)c2[nH]c(Cc3ccccc3C(F)(F)F)nc12 587108218 ZUSMBFZDFGVKPB-UHFFFAOYSA-N 374.135 4.469 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(Cc3ccccc3Cl)c1)O2 587375912 ATTZKVCEYUBGAB-IBGZPJMESA-N 367.836 4.182 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCCCF)cc1)[C@@H](C2)C3=O 587424987 ZPRLZRKCDGYPBA-LAUBAEHRSA-N 356.393 4.096 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(OCC)nc3sccn13)CC2=O 587500665 UGVYAUKEPNNXJX-OAHLLOKOSA-N 372.446 4.159 0 1 FIAF CC(C)(C)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587581189 KNYFKTFBXOJJOH-YLJYHZDGSA-N 364.401 4.047 0 1 FIAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587726752 ZLXIMPDSCRDUJH-XYZCENFISA-N 368.221 4.360 0 1 FIAF O=C(COc1ccc2c(c1)CCC2)n1nc2cc1Oc1ccc(F)cc1-2 587873965 QMZQNQZNAKETFU-UHFFFAOYSA-N 350.349 4.003 0 1 FIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 587938593 XTMZQSMLJIJCOS-MGPLVRAMSA-N 350.340 4.427 0 1 FIAF O=C(Nc1ccc(F)cc1)c1csc(Nc2cccc3[nH]ncc23)n1 1857570720 GZUFBAJDDHHEQT-UHFFFAOYSA-N 353.382 4.154 0 1 FIAF c1ccc2nc(-c3nc4ccccc4o3)c(NCCCn3ccnc3)nc2c1 1857599391 QPJGMCCWIYNUER-UHFFFAOYSA-N 370.416 4.137 0 1 FIAF CC(=O)N1c2ccc(-c3ccc[nH]3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C 1857646906 FVBZXKOSEIRNSU-SCLBCKFNSA-N 355.438 4.003 0 1 FIAF COCCn1c(-c2ccc(C(C)C)cc2)cc(CN2CCOCC2)c1C 1857656348 AGFOSALFCAWBIN-UHFFFAOYSA-N 356.510 4.066 0 1 FIAF Cn1ncc2c(NC3(c4ccc(C(F)(F)F)cc4)CC3)nc(Cl)nc21 1857762958 YIIMIHLIRATCLN-UHFFFAOYSA-N 367.762 4.137 0 1 FIAF COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CO)C=C3C)o2)cc1 2356574367 XQJHZSOKBXQFEE-SCTDSRPQSA-N 356.466 4.135 0 1 FIAF CC(=O)Nc1ccc(OCc2nnc(SCc3ccc(C)cc3)o2)cc1 2382244227 BPDIPDIVHQBIII-UHFFFAOYSA-N 369.446 4.208 0 1 FIAF CC(C)c1ccc(N[C@H]2CCCN(C(=O)CCc3ccccn3)C2)cc1 11665381 BODVOITXKDGOCJ-NRFANRHFSA-N 351.494 4.241 0 3 FIAF C[C@H](OC(=O)NCc1ccc(C(F)(F)F)cc1)[C@@H]1O[C@@]2(C)CCC[C@@H]1O2 36388062 ROWRHVAAKKASRW-SIUGBPQLSA-N 373.371 4.004 0 3 FIAF O=C(CNCc1ccccc1Cl)Nc1ccccc1N1CCCCC1 59867079 DYXQRMUYYMVLRM-UHFFFAOYSA-N 357.885 4.059 0 3 FIAF Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42C[C@@H]2c2ccccc2)c1 4664293 VETXTVBCJVYCHS-SUCDFFRQSA-N 355.437 4.090 0 1 FIAF COCCN(C(=O)C(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880737 OIEWQBLQBVBKQU-UHFFFAOYSA-N 361.511 4.138 0 3 FIAF Brc1ccc(-c2nc3ncccn3c2NC2CCCCC2)o1 4927514 AQNRYNAAYNHWPD-UHFFFAOYSA-N 361.243 4.496 0 3 FIAF c1cncc(C2(c3cccnc3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1 26646594 ASTUUCYWCUWLKQ-BJKOFHAPSA-N 362.456 4.189 0 1 FIAF CC1(C)[C@H](O)CC[C@@]2(C)[C@@]1(O)CC[C@@H]1Cc3c([nH]c4ccccc34)[C@]12C 2356448830 QJRNEHJGTLWRJJ-XMBDLOPUSA-N 353.506 4.310 0 1 FIAF CCCC[C@@H](O)CSC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101364536 HUOIPUKSNAXOPY-CUIBMDGQSA-N 370.555 4.266 0 1 FIAF C=CC(=O)N1CCc2c(sc3ncnc(Nc4cccc(CC)c4)c23)C1 103297809 URJJOGWZSTWQKA-UHFFFAOYSA-N 364.474 4.068 0 1 FIAF CC(=O)NCCCCCCNC(=O)Oc1ccc(-c2ccccc2)cc1 103268684 LNEJCXWYTCSLKK-UHFFFAOYSA-N 354.450 4.139 0 1 FIAF CN1CCN([C@H](COc2cccc(Cl)c2Cl)c2ccccc2)CC1 103285266 RGVLCVCWPDWVPU-QGZVFWFLSA-N 365.304 4.361 0 1 FIAF Cc1cc(Cl)cn2nc(SCc3nc(-c4ccccc4)cn3C)nc12 113423737 BSDDKMBJTWKAHB-UHFFFAOYSA-N 369.881 4.384 0 1 FIAF Cc1cnc2[nH]cc(Cc3ccc(NCc4ccnc(C)c4)nc3F)c2c1 117448259 JEYWLGNUKVSWDE-UHFFFAOYSA-N 361.424 4.312 0 1 FIAF O=C(O)CC[C@@H]1C[C@@H]1c1cccc(OCCc2ccc3c(n2)NCCC3)c1 28648227 ALPCCUVICZDBAU-YLJYHZDGSA-N 366.461 4.030 0 1 FIAF CC[C@H](C(=O)NCc1ccccc1)N(Cc1ccco1)C(=O)CCC(C)C 2356810652 AZYJCXSMXGOFFC-HXUWFJFHSA-N 370.493 4.139 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@H](Cc1cccnc1)[C@@H]2O 299870292 QLYAKILKANOLBC-SJJWJFPKSA-N 363.501 4.473 0 1 FIAF in-vivo CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(F)c(C)c2[nH]1 586974644 WVEKGOTVAWDNEY-QGZVFWFLSA-N 357.454 4.121 0 1 FIAF Oc1cc(-c2ccccc2Cl)c(O)n1-c1ccnc(Br)c1 587940851 PZZXIPPOJBEMGH-UHFFFAOYSA-N 365.614 4.366 0 1 FIAF Fc1cccc([C@H]2C[C@@H]2c2nc3cncc(Br)c3[nH]2)c1F 587152443 NJLLUAMEIPLFJM-BDAKNGLRSA-N 350.166 4.270 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1c(-c4ccccc4)noc1C)[C@@H](C2)C3=O 587437272 XDIPQUXTFGGZGB-KSFYIVLOSA-N 361.397 4.321 0 1 FIAF Cc1ccc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587608891 NCYLXLMKZRTPDA-GCJKJVERSA-N 362.381 4.418 0 1 FIAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C(C)C 587763086 HWBDYWGNFGATHP-DYZYQPBXSA-N 366.278 4.298 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3c1cnn3C(C)(C)C)O2 587391678 ODOLDKGOPMPETH-JOCHJYFZSA-N 367.493 4.362 0 1 FIAF O=C([C@H]1CCO[C@@H]1c1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587873148 CRGIOSYDAKQBHI-IFXJQAMLSA-N 350.349 4.213 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)cnc2[nH]1 586964286 WYYLTYBLBLLPQC-JTQLQIEISA-N 369.372 4.024 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(F)c2)N1 587723585 BQDWPOVWYWPEAK-XYZCENFISA-N 368.221 4.231 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)[nH]c4ccccc14)[C@@H](C2)C3=O 587423831 ZQEFKEWBBVMGFX-RNODOKPDSA-N 353.805 4.493 0 1 FIAF COc1cc2c3c(c1)O[C@]1(C[C@@H](Oc4ccccc4)C1(C)C)[C@@H](C2)C3=O 587442342 LIYDHEOVDNVSEN-AQOAWAETSA-N 350.414 4.059 0 1 FIAF COc1cc2c3c(c1)OC1(CCN(c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O 587423511 UTYYFDFPVYRZOC-KRWDZBQOSA-N 369.848 4.135 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccc3cc[nH]c23)N1 587803936 QCVZIUMRNUPNPE-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF O=C(/C=C/c1nc2c(Cl)cnc(Cl)c2[nH]1)Nc1ccc(F)cc1 587167337 QKYVHZSREVCBPA-AATRIKPKSA-N 351.168 4.056 0 1 FIAF OCCc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077439 TWHVSYVTGYEXTO-IBGZPJMESA-N 355.869 4.088 0 1 FIAF Cc1cc(-c2nc3cc(CCO)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879856 SOXWGJLHZHYYSC-UHFFFAOYSA-N 372.424 4.438 0 1 FIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(N)ccnc2[nH]1 587035265 QZSMBWXVNXXKCQ-CYBMUJFWSA-N 365.462 4.026 0 1 FIAF C[C@]1(c2ccns2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370330 AGXIKQBRHCHGAD-PKOBYXMFSA-N 355.390 4.262 0 1 FIAF CCOC(=O)c1ccc2nc([C@@H](CC)c3ccc(OC)c(OC)c3)[nH]c2c1 587925542 CILYGVSHLKVWBR-HNNXBMFYSA-N 368.433 4.299 0 1 FIAF CCC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 587834294 KQCUQHVFLVRHMY-ZBEGNZNMSA-N 356.279 4.370 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCOCC)cc1)CC2=O 587483436 WWWURSBKTKAYSE-FQEVSTJZSA-N 356.418 4.424 0 1 FIAF CC(C)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)co1 587776967 ZJDHUMBAEIDFLD-RFAUZJTJSA-N 353.235 4.323 0 1 FIAF CCCOc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1OC 587873815 NWIIJUUTBNZYMF-UHFFFAOYSA-N 368.364 4.281 0 1 FIAF O=C1C[C@H](c2ccc3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 587535021 HVIWTWITAVCWGY-HXUWFJFHSA-N 350.414 4.433 0 1 FIAF CC(C)(C)CC(=O)N1CCC2(CC1)c1c(F)cccc1C[C@@H]1CCCN12 963098486 IDRNORPSLQGGCR-KRWDZBQOSA-N 358.501 4.100 0 1 FIAF COc1ccc(Nc2nc(-c3ccccc3)nc3ncccc23)cc1OC 1772577464 CGZOIAGYXKVWFL-UHFFFAOYSA-N 358.401 4.453 0 1 FIAF CN1C(=O)CCc2ccc(NC(=O)N[C@H]3CC[C@@H](c4ccccc4)C3)cc21 169704965 CLYGEYINXAEOCM-MSOLQXFVSA-N 363.461 4.053 0 1 FIAF Cc1cc2c(NC(=O)N[C@@H]3CC[C@H](c4ncc(C)o4)C3)c(F)ccc2cn1 169704982 RLIYUKZFFNLZSO-DZGCQCFKSA-N 368.412 4.437 0 1 FIAF O=c1nc(-c2cc(F)c(COc3ccc(Cl)c(Cl)c3)cc2F)[nH]o1 1857752840 MFOOVSFPHZVMCF-UHFFFAOYSA-N 373.142 4.194 0 1 FIAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](C)C(C)C)c(OC)c1 777236 QBQZVURIOVCMIB-CYBMUJFWSA-N 374.481 4.431 0 1 FIAF Cc1ccc(CN2C(=O)CC[C@]2(C)C(=O)NC2CCCCCCC2)cc1 2933198 WYFOGTKLIHJOCI-JOCHJYFZSA-N 356.510 4.105 0 1 FIAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(C)c1)c1ccccc1 103214118 ZDQFOLOMCNOFFW-SFHVURJKSA-N 364.334 4.102 0 1 FIAF O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)nc1 28889281 VJDPPNNCFURYHW-FPYGCLRLSA-N 357.381 4.363 0 1 FIAF COc1ccc([C@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1F 61930974 SBBLMHDYDKFWBF-INIZCTEOSA-N 366.314 4.325 0 3 FIAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@H](C)[C@]12C 2356764852 QFRZIEHLMQVWOP-VMRCMBGLSA-N 360.450 4.138 0 1 FIAF CCn1cc(Nc2nc3c(-c4ccc(C(F)(F)F)cc4)cccn3n2)cn1 147015561 JBIPAMCXIFPYEB-UHFFFAOYSA-N 372.354 4.375 0 1 FIAF CC[C@H](O)c1cc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1 144303553 ZVFYUIBNLRHUCH-FQEVSTJZSA-N 361.445 4.397 0 1 FIAF CC(C)=CCn1c2ccccc2c2c(OC[C@@H](O)CNC(C)C)cccc21 2382221506 ZVBXJOSESQMPAV-SFHVURJKSA-N 366.505 4.498 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(O)c2F)N1 587723304 WQHZAPSXLVBHKO-KWKYVRJSSA-N 372.184 4.196 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(Cc1cc(Cl)cnc1Cl)[C@@H](C2)C3=O 587422805 UVSRXTHSABMLEU-UGSOOPFHSA-N 364.228 4.146 0 1 FIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(F)c(Br)c2[nH]1 587088916 UUCLXZQRZHHZQU-ZETCQYMHSA-N 360.177 4.214 0 1 FIAF CC(C)(C)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 587040282 GUPQTVPICVQUEB-WBVHZDCISA-N 352.507 4.202 0 1 FIAF C[C@]1(c2ccc(C=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603405 OIOOTHZCXVUGJO-DENIHFKCSA-N 360.365 4.082 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2cc(N)ccc21 587390667 PPJZGRUEIDKVIP-JOCHJYFZSA-N 358.397 4.174 0 1 FIAF O=C(O)c1ccccc1/C=C\c1nc2ccc(Br)c(F)c2[nH]1 586880789 SADLQTSAZFAVMY-YVMONPNESA-N 361.170 4.333 0 1 FIAF CCOC(=O)N1[C@H]2CC[C@H]1CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518680 NCWJGJQPOZEISG-HOTGVXAUSA-N 369.461 4.053 0 1 FIAF CCOC(=O)[C@@H](N=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586996087 MIIATYVCDUYCOT-IBGZPJMESA-N 360.369 4.125 0 1 FIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(C)=O 587522059 DSQVZQYYRMFFCS-HXUWFJFHSA-N 366.413 4.206 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1C(F)F 587552434 ACCWFAANKRXHBK-YJBOKZPZSA-N 357.312 4.292 0 1 FIAF O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 586885201 KWIUTBYJZDFVQZ-SOLBZPMBSA-N 356.425 4.433 0 1 FIAF Nc1ccc2c3c1C1(CCC4(CCCN4Cc4ccccc4)CC1)N(CC3)C2 962951422 HEXGFFRSKHBYIR-UHFFFAOYSA-N 373.544 4.445 0 1 FIAF COc1ccc2c(c1OC)[C@](C)(c1cc3c(s1)CCC3)N(C)[C@@H](C)C2 962628077 GSBGDUHKNIQXGX-ZSEKCTLFSA-N 357.519 4.394 0 1 FIAF COc1cc(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3n2)cc(OC)c1OC 1772624944 HNMRIPWPQMCJST-HOTGVXAUSA-N 363.413 4.247 0 1 FIAF CCCCC/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCCC(=O)NCCO 13475536 MBNNWXNLRFIFNA-XYOZOUKRSA-N 363.542 4.211 0 1 FIAF C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCSCCO)[C@H]1CCC2=O 14947050 LOCLCSLEASYCPR-RPHTVSPISA-N 374.546 4.103 0 1 FIAF Cc1ccccc1[C@]1(O)CC(C(F)(F)F)=NN1C(=O)CC1CCCCC1 1857638477 KXAZQZBTCYDVIZ-GOSISDBHSA-N 368.399 4.261 0 1 FIAF Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(=O)O)cc1 3648506 NJYCOGNPAOHBPY-UHFFFAOYSA-N 373.455 4.223 0 1 FIAF COc1ccc([C@H](OC)c2nccc3cc(OC)c(OC)cc23)cc1OC 5141287 MNBJQMJWRBOBEX-NRFANRHFSA-N 369.417 4.005 0 1 FIAF biogenic CCC(CC)N1CCn2c(=O)n(-c3ccc(Cl)cc3)c3nc(C)cc1c32 13652932 OQCPVMHNYALXOO-UHFFFAOYSA-N 370.884 4.158 0 1 FIAF COC(=O)Cc1nc(NC2CCCCC2)c2c3c(sc2n1)CCCC3 34138824 XDWYJTISUWAGHL-UHFFFAOYSA-N 359.495 4.030 0 1 FIAF CC(C)N1CCC(Nc2ccc3cc(C(=O)N4CCCC4)ccc3c2)CC1 40918576 IEACCJDIUCYCLZ-UHFFFAOYSA-N 365.521 4.361 0 1 FIAF COc1ccc2cc1Oc1ccc(c(O)c1OC)CCCCC(=O)CC2 70455432 WQHLZXQHMPOZGL-UHFFFAOYSA-N 356.418 4.430 0 1 FIAF biogenic,in-vitro CCN(C)C(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccccc1 82134256 GGYWJTPXPTXCFO-UHFFFAOYSA-N 374.488 4.199 0 1 FIAF CC(=O)O[C@@H]1C[C@@]2(C)C(C)=CCC[C@@H]2[C@@]2(C[C@H](c3ccoc3)O[C@H]2O)[C@@H]1C 95910022 IHBGLDMSFNUTEZ-WIFRCJSBSA-N 374.477 4.380 0 1 FIAF biogenic,in-vitro N=c1c2ccccc2nc2n1CC/C2=C\c1ccccc1Br 101030351 OESFMASRZIGVME-NOYHUVOJSA-N 352.235 4.223 0 1 FIAF O=c1ccccn1-c1ccc2c(c1)CNC[C@H]2c1ccc(Cl)c(Cl)c1 114513892 PILUFBWYZBSMTQ-KRWDZBQOSA-N 371.267 4.379 0 1 FIAF O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1ccc2ccccc2c1 299820282 IILPLAOABJATAZ-MZADTFQBSA-N 360.457 4.358 0 1 FIAF O=S(=O)(/C=C/c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 586924666 STJYSXQCEMJVKM-VOTSOKGWSA-N 353.230 4.314 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3ccc(Cl)cc3[nH]2)cc1 586971489 YBURHVQXWVMRTF-UHFFFAOYSA-N 359.882 4.439 0 1 FIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 587043494 RQQNFFSPYHEFRN-JTQLQIEISA-N 373.400 4.082 0 1 FIAF COc1ccc(-c2nc3cc(Br)cc(C)c3[nH]2)c(Cl)n1 587084043 SOSDNCJXWRBDNU-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF CCOC(=O)C[C@@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105665 DGGCIJJGSUPXDM-KRWDZBQOSA-N 373.408 4.072 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(Br)s1)O2 587410843 QHJKUEIZJIUCGN-GFCCVEGCSA-N 352.253 4.416 0 1 FIAF CSc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587412302 YMIPZINTDRYNCQ-FQEVSTJZSA-N 371.458 4.025 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(F)c1Br)[C@@H](C2)C3=O 587424410 NWXCXVNEFCHFOC-GTNSWQLSSA-N 363.182 4.086 0 1 FIAF COc1cc(F)cc(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504085 MJPGHRIANHSEQC-LJQANCHMSA-N 356.393 4.428 0 1 FIAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518679 NCWJGJQPOZEISG-BRLLKYFNSA-N 369.461 4.053 0 1 FIAF C[C@H](Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(=O)O 587520525 DWENZNXXOOUXTD-RBZFPXEDSA-N 366.413 4.124 0 1 FIAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(O)c1OC 587521919 DHYGWBMNPBMLIT-JOCHJYFZSA-N 368.429 4.169 0 1 FIAF O=C1C[C@@H](c2c(C(=O)O)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587526079 PMZVNLZJUKJISD-SFHVURJKSA-N 361.397 4.451 0 1 FIAF COC(=O)[C@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526339 SPCAQDCENGQRIE-QHCPKHFHSA-N 364.441 4.075 0 1 FIAF Cc1ccc2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2c1 587590885 ZZPBPQGEBCCGCJ-KNQAVFIVSA-N 372.380 4.051 0 1 FIAF COc1cc(F)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587727125 ANNLXANQUIDJLK-XYZCENFISA-N 368.221 4.360 0 1 FIAF COc1cccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1O 587786472 LPRZFGIVFLFJOT-UHFFFAOYSA-N 358.703 4.496 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3nccc-3c2)N1 587801407 GAMHQIWRQAPOFP-ABKXIKBNSA-N 360.230 4.040 0 1 FIAF COC(=O)CCCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587809544 RWTGFNUCKVAQIC-SMDDNHRTSA-N 372.278 4.287 0 1 FIAF COc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587812222 YNWVXFJRAYNKOT-VOJFVSQTSA-N 364.258 4.395 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCO3)N1 587831924 AKQNVBLZJHZIEE-MGNBDDOMSA-N 362.242 4.147 0 1 FIAF O=C(CSc1nc2ccccc2o1)n1nc2cc1Oc1ccc(F)cc1-2 587875201 BIWZTDNGLQNGPF-UHFFFAOYSA-N 367.361 4.369 0 1 FIAF COc1ccc2c(c1)CCC=C2Cc1nc2ccnc(Br)c2[nH]1 587935136 PXBRQCJGORSNDL-UHFFFAOYSA-N 370.250 4.301 0 1 FIAF COc1ccc(-c2cc(C(=O)NCCc3ccccc3)c(C)o2)cc1OC 621429386 UZQZGGHVNPNYCY-UHFFFAOYSA-N 365.429 4.245 0 1 FIAF Cc1c([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)[nH]c2c(Cl)cccc12 963022238 IGZDLLUNUQSNPA-LAJNKCICSA-N 365.864 4.272 0 1 FIAF CNc1cc(Oc2ccc(NC(=S)Nc3ccccc3)cc2F)ncn1 1772638316 JRGVJPCQXIRWRD-UHFFFAOYSA-N 369.425 4.259 0 1 FIAF O[C@@]1(Cc2ccc(Cl)cc2)c2c(Cl)ccc(Cl)c2C2=NCCN21 1857560717 PSTXKSIRECGRKE-KRWDZBQOSA-N 367.663 4.110 0 1 FIAF CCN(CC)CCN=c1[nH]c(-c2[nH]c3ccccc3c2C)nc2ccccc12 2382232175 OYDVMNFNCATMJA-UHFFFAOYSA-N 373.504 4.262 0 1 FIAF CC(C)CN(CC(C)C)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 2500154 ISDPYBAZFBJXSY-UHFFFAOYSA-N 350.466 4.104 0 1 FIAF Cc1oc(-c2ccccc2)nc1COc1ccc([C@@H](C)N(O)C(N)=O)cc1 13604001 JIQSZBXJCUQLPZ-CYBMUJFWSA-N 367.405 4.060 0 1 FIAF CCCCC[C@@H](O)CCCCC[C@@H](Cc1cc(O)cc(O)c1)OC(C)=O 14772326 IYNSMFCFWBKXEB-NQIIRXRSSA-N 366.498 4.464 0 1 FIAF biogenic CCOC(=O)[C@@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 27995425 SJLUIDYBEDLBDA-JTQLQIEISA-N 371.241 4.153 0 1 FIAF CC(C)(CC(N)=O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 34412308 DQUNKKRZOUVHSM-UHFFFAOYSA-N 355.869 4.182 0 1 FIAF CC(=O)Nc1cccc2c1c(Oc1ccc(Cl)cc1)c(C)n2CC(=O)O 38238569 KVULPJIQOUYTAM-UHFFFAOYSA-N 372.808 4.438 0 1 FIAF Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(N)c2)c1 38318391 OQUFIAIDSYNHJN-UHFFFAOYSA-N 364.474 4.220 0 1 FIAF C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 40472111 CEQYMIBPHSHBNB-QALMAGCSSA-N 356.462 4.076 0 1 FIAF O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(Cc2ccccc2)CC1 45386399 HIEVWEATEKEGPH-UHFFFAOYSA-N 352.522 4.475 0 1 FIAF O=C(O)C1=CCCN([C@H]2CC[C@@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64393137 SKOALCKWENTDHG-WIOPSUGQSA-N 373.496 4.341 0 1 FIAF CCOc1ccccc1-c1nc(CNCc2cc(OC)cc(OC)c2)co1 72179924 LLRRNPDHASMHJB-UHFFFAOYSA-N 368.433 4.047 0 1 FIAF CCOC(=O)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72184858 SFKUCXBBGSFQPI-IBGZPJMESA-N 373.884 4.035 0 1 FIAF CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)C)ccc3o2)cc1 73293965 YRWOCIQMPSYQGH-UHFFFAOYSA-N 360.435 4.152 0 1 FIAF Cc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccc2ccccc2n1 96270515 UOONHCDJEXRVPR-UHFFFAOYSA-N 357.413 4.082 0 1 FIAF CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1cc(Cl)ccc1C 102300965 HQFLBXVBZUXHHO-OAHLLOKOSA-N 360.870 4.381 0 1 FIAF Fc1cc(Br)ccc1Nc1ncnc2c1oc1cccnc12 103244391 HQVVJCYENIUQMC-UHFFFAOYSA-N 359.158 4.416 0 1 FIAF N#Cc1c[nH]c2nc(Nc3ccc4c(C5CCNCC5)c[nH]c4c3)ccc12 144841199 VZDYMVUHOHLJQX-UHFFFAOYSA-N 356.433 4.126 0 1 FIAF COC1CCC2(CC1)Oc1ccc(Cl)cc1[C@@]21N=C(N)c2ccccc21 204988407 PDPAMGOYXKELLJ-GSGOXKDTSA-N 368.864 4.023 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586884806 IYRLTRDVYGWGFK-XOBRGWDASA-N 352.821 4.374 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3nc(Br)ccc3Cl)nc12 587005049 KOKIBFDACSWWSE-UHFFFAOYSA-N 358.026 4.398 0 1 FIAF N[C@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1ccccc1Cl 587057720 QSJLCHLCPZMLQH-GFCCVEGCSA-N 368.637 4.360 0 1 FIAF COc1cnc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1Cl 587064698 NEHDYGRAZYPKOK-UHFFFAOYSA-N 374.025 4.098 0 1 FIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C(N)=O)cccc2[nH]1 587065932 FQIQMIRRJJVSAW-UHFFFAOYSA-N 350.809 4.081 0 1 FIAF Fc1cnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 587080485 CYONEDFXWYBNOU-UHFFFAOYSA-N 364.771 4.127 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4cccc(F)c4)n1)[C@@H](C2)C3=O 587428491 NJIZJZFLKHMHFH-IFXJQAMLSA-N 367.401 4.447 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)NCC)CC2=O 587472146 XPFIRGABSJFALJ-IVZQSRNASA-N 353.462 4.203 0 1 FIAF Cc1ccnc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512712 OLXKJWGKMSLFBV-JOCHJYFZSA-N 364.445 4.022 0 1 FIAF Cc1ncc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551731 JBRIRVCTDBQYMA-FXAWDEMLSA-N 367.788 4.452 0 1 FIAF CCC[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586963 MKKHOVOUTFLFAN-DENIHFKCSA-N 361.397 4.444 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccn2)N1 587700105 LRLFHLBTYYTWDO-ANRSDYALSA-N 355.638 4.260 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(F)cc2Cl)N1 587736799 XASPMZMTVSXPTP-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF CCCCN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587769768 QEEIYZYYUMBXSX-CYBMUJFWSA-N 369.322 4.214 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3[nH]ccc23)N1 587803878 QAVIULXPUCMKCC-JDNHERCYSA-N 360.230 4.088 0 1 FIAF COc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587808941 OTLQELOFDWWLLV-BBATYDOGSA-N 364.258 4.395 0 1 FIAF CO[C@@H](C)COC1CCC(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC1 587950596 BPYBNTILYGBCPO-IDKOKCKLSA-N 360.351 4.197 0 1 FIAF O=C(NC(=O)c1ccccc1F)N[C@@H]1c2ccccc2[C@H]2CCCC[C@H]21 653794437 TVGZSLJCOFSACN-IDHHARJASA-N 352.409 4.294 0 1 FIAF c1coc(CN2CCc3sccc3[C@H]2c2scc3c2OCCO3)c1 962710356 LLMCZXKJUTZLST-INIZCTEOSA-N 359.472 4.322 0 1 FIAF CCCN1[C@H](c2cccnc2-n2cnc(Cl)n2)c2ccccc2C[C@H]1C 963239031 ITLXRILATBSJLY-KDOFPFPSSA-N 367.884 4.062 0 1 FIAF CC[C@H]1CC[C@@]2(C1=O)c1cc(OC)ccc1CCN2Cc1ccc(F)cc1 963300879 IVPAOHREOSZRSP-SBUREZEXSA-N 367.464 4.477 0 1 FIAF CC(C)(C)[C@H](NC(=O)/C=C/c1ccccc1)NC(=S)Nc1ccccc1 1772599095 LYLMZNGQHMTGNF-JUWJPQTCSA-N 367.518 4.175 0 1 FIAF Fc1ccc2c(c1)CC[C@@H](c1nnc([C@@H]3CCc4cc(F)ccc4O3)o1)O2 1911585814 SUQYXKHAJWBLRF-ROUUACIJSA-N 370.355 4.480 0 1 FIAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=O)CC[C@H]4[C@@H]3C(=O)C[C@@]2(C)C1 2356317872 XJADJSSOKJQZDB-JQNVPLMESA-N 360.494 4.099 0 1 FIAF Cc1ccc(C2=NC[C@@H](C)n3c2c2ccc(C(F)(F)F)cc2[n+]3[O-])cc1 206060813 JZHQKDPMVPGMKR-GFCCVEGCSA-N 359.351 4.014 0 3 FIAF COc1cc2ncnc(Nc3ccccc3Br)c2cc1OC 3815283 WNZXENIFRJQCEE-UHFFFAOYSA-N 360.211 4.153 0 1 FIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC)[C@H]2c1cccs1 13147144 PEJUFXBTQZXJLD-HGLKBHAMSA-N 363.464 4.010 0 1 FIAF aggregator Cc1cccc(CN2CCC(n3c(C)c(-c4ccccc4)[nH]c3=O)CC2)c1 13799244 RUCVLTFMJJZXOA-UHFFFAOYSA-N 361.489 4.297 0 1 FIAF NCCN1[C@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 22932178 HKONLYZKJHOXAP-WCRBZPEASA-N 372.459 4.025 0 1 FIAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1ccc(F)cc1 26819255 IMZDPHIRNMFYEE-CQGUWYRNSA-N 361.413 4.273 0 1 FIAF CCCCCOc1cc2c(cc1OC)CCN=C2C(=O)c1ccccc1 27558077 NSHPATPCFZGSSG-UHFFFAOYSA-N 351.446 4.492 0 1 FIAF CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2F)OC1=O 40556694 WAMYBAKXTUJDOY-IBGZPJMESA-N 374.431 4.198 0 1 FIAF COc1ccc(C(=O)c2ccc(OCCN3CCCCC3)c(C)c2)cc1 40952919 DEDCFAITBHLJTK-UHFFFAOYSA-N 353.462 4.099 0 1 FIAF O=C(O)[C@]12C[C@H]1CN([C@H]1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2 43202659 GPWMNUXSJDSCAV-NBMBROAQSA-N 373.496 4.030 0 1 FIAF c1ccc(CNCc2ccc(CN[C@@H]3CCCCc4cccnc43)cc2)nc1 49068249 PETRZIRWQJDWID-HSZRJFAPSA-N 372.516 4.324 0 1 FIAF CC1=NN([C@@H]2C[C@@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)C(=O)C1 64274778 SQRHLGYXTXOMII-MNOVXSKESA-N 365.277 4.101 0 1 FIAF COc1ccc(-c2cc([C@@H](C)C(=O)O)ccc2C[C@@H]2CCCC2=O)cc1 72104864 MUMHZZLGKYTZBE-KDOFPFPSSA-N 352.430 4.462 0 1 FIAF Cc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2ccccc2F)o1 82175815 DXKDXFVFTZDKAT-UHFFFAOYSA-N 352.413 4.482 0 1 FIAF c1ccc(-c2csc3[nH]nc(N4[C@H]5CC[C@H]4CC(N4CCC4)C5)c23)cc1 147564696 IEBLHDYORNGNRJ-HOTGVXAUSA-N 364.518 4.497 0 1 FIAF C[C@H](O)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 255251131 OCGURTBICGSGSG-BHOBSKIHSA-N 359.554 4.055 0 1 FIAF Cc1c(F)ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587041461 CEQUQKVVZVTDJA-AWEZNQCLSA-N 361.829 4.319 0 1 FIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(S)nc(S)nc2[nH]1 587067473 BZHMDOBQENJEKV-SSDOTTSWSA-N 352.872 4.032 0 1 FIAF C[C@@]1(c2nc3ccc4c(c3[nH]2)CCCC4)Cc2ccc(F)cc2C(=O)O1 587174190 NTZNCSVOZTXOSI-NRFANRHFSA-N 350.393 4.209 0 1 FIAF COc1ncc(F)cc1-c1nc2c(Cl)cc(Br)cc2[nH]1 587176105 NEMKLLFDXJFKHP-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF O=C(O)[C@@]1(c2ccc(Cl)cc2)CCc2nc3cccc4c3c(c2C1)CC4 587209079 IUCSPDKZPPEKMX-QFIPXVFZSA-N 363.844 4.498 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587233569 SLVOKHQMYCOCNN-YUMQZZPRSA-N 373.350 4.280 0 1 FIAF CN(C)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587339649 SHZXFYRQVPFYKN-BRFBUHTJSA-N 369.436 4.133 0 1 FIAF CC[C@@]1(c2ccc3c(c2)cc(O)n3C)CC(=O)c2cc(C)cc(N)c2O1 587392311 YPARFBPKYLIYTP-NRFANRHFSA-N 350.418 4.045 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([C@@H](C)C(=O)O)cc1)(C(C)C)O2 587409431 TZTNKPQLGGTCPJ-JLCFBVMHSA-N 367.445 4.282 0 1 FIAF CC[C@H](C)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587438225 DDVQCZYUVJLVHD-ONJZCGHCSA-N 368.429 4.370 0 1 FIAF O=C1C[C@@]2(CCCC[C@@H]2N2CCSCC2)Oc2c1ccc1c2CCCC1 587537643 JLIQCAJRZXNLEA-RBBKRZOGSA-N 371.546 4.261 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1F 587558693 SVPYVGLVCGNRLH-YLJYHZDGSA-N 354.308 4.373 0 1 FIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587570672 XBRNAOZCBUYTST-RXVVDRJESA-N 366.344 4.243 0 1 FIAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C(C)C 587583674 WNMDGYOBCYMUCZ-GHTZIAJQSA-N 364.401 4.181 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1cccc(O)c1 587655898 DCGIZRKGBNZVEY-UHFFFAOYSA-N 364.351 4.096 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N(C)C)N1 587755032 LNJHXQVGQGGARN-BBATYDOGSA-N 363.274 4.278 0 1 FIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C(C)C 587765387 SZUTYJWTWMVPRS-DYZYQPBXSA-N 366.278 4.298 0 1 FIAF Cc1cccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc12 587771732 CMUQASKPQAYGKW-GTNSWQLSSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ncccc32)N1 587776167 BIUWNZIJZAOHJW-VOJFVSQTSA-N 361.258 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]2OC2CCC2)N1 587813292 UJTIRBPGDXXZQU-FDOKIQAASA-N 354.263 4.049 0 1 FIAF CCOc1ccc(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587944301 ABXQESMLEUALNS-UHFFFAOYSA-N 365.408 4.178 0 1 FIAF Fc1ccc(-n2ncc([C@@H]3NCCc4cccc(-c5ccccc5)c43)n2)cc1 962661060 IZVMSOZDGQQZFS-QHCPKHFHSA-N 370.431 4.309 0 1 FIAF CC[C@@H]1CC[C@]2(C1=O)c1cc(OC)ccc1CCN2Cc1ccc(F)cc1 963300880 IVPAOHREOSZRSP-UZUQRXQVSA-N 367.464 4.477 0 1 FIAF O=C(C[C@H](Sc1ccc2ccccc2c1)C(=O)O)Nc1ccccc1 1772582525 RPXDLNRQBJMETP-SFHVURJKSA-N 351.427 4.414 0 1 FIAF CN(C)CCCc1cn(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)nn1 1772603956 MVLYUKDAZJYROJ-UHFFFAOYSA-N 356.558 4.416 0 1 FIAF Cc1ccc(Nc2nc3c(s2)[C@@H](OC(=O)n2ccnc2)CCC3)cc1 1857656514 ABADTCFXJRNIAC-HNNXBMFYSA-N 354.435 4.454 0 1 FIAF CC1=C[C@@H](C)O[C@@]2(C1)C(=O)N(CC1CC1)c1cccc(Br)c12 36381933 BKQVTFVNPJFLPR-KZULUSFZSA-N 362.267 4.156 0 3 FIAF COC(=O)c1cc2c(cc1C[C@H]1Cc3cc4c(cc3C1=O)CCC4)CCC2 1855512 OICBITAPYYBEOU-HXUWFJFHSA-N 360.453 4.048 0 1 FIAF CN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 27520039 IHPIDUYTHZDHCH-BPAFIMBUSA-N 352.478 4.004 0 1 FIAF COc1ccc(-c2n[nH]c(N)c2-c2nc3cc(F)c(OC)cc3s2)cc1 114399338 HFLDOVRSMKAWPE-UHFFFAOYSA-N 370.409 4.092 0 1 FIAF CCOC(=O)CCCCCCCc1cccc(OCC(=O)OCC)c1 2356826268 HWPDFDJPHXQHIO-UHFFFAOYSA-N 350.455 4.075 0 1 FIAF NCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 66097859 UTIXCFWOKAICCG-UHFFFAOYSA-N 367.493 4.105 0 1 FIAF Cc1ccc(C(=O)c2nc(NCc3ccccn3)nc3ccsc23)s1 49014019 LOSMYLFZBAOMKI-UHFFFAOYSA-N 366.471 4.299 0 1 FIAF O=C(O)CCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143488078 WHXFQKPSULBLRQ-GOSISDBHSA-N 366.335 4.099 0 1 FIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(-c2ccccc2)ccn1 261093142 DVBLRVYGCHQMAE-IBGZPJMESA-N 360.413 4.003 0 1 FIAF COc1ccc(/C=C/c2nc(C)c(O)c3c2COC(C)(C)OC3)cc1OC 2382220755 DMCKMOPXHJAPIU-SOFGYWHQSA-N 371.433 4.066 0 1 FIAF COc1cc2c(cc1O)O[C@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@@H]21 59204562 SVGUEYZRBQMTPO-BTYIYWSLSA-N 354.402 4.225 0 1 FIAF biogenic COc1cc(OC)c2[nH]c(-c3cccc(-c4ccccc4CO)c3)nc2c1 586895054 MWKIQUWULMPYQU-UHFFFAOYSA-N 360.413 4.406 0 1 FIAF Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1I 587212058 BDMRUAJKMBWPBJ-UHFFFAOYSA-N 373.193 4.311 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc3cc(C)ccn3c1C)CC2=O 587492952 YVYPOALGXQPDLJ-JOCHJYFZSA-N 364.445 4.490 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(F)c2)N1 587724620 KJHSTIUZSFUVRH-BCTVWOGZSA-N 354.194 4.057 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ncc[nH]1)CC2=O 587482832 KNHYMMVYVZLHNM-JOCHJYFZSA-N 362.429 4.285 0 1 FIAF Cc1cc2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2cc1C 587029470 PGYZYKXTJSNBQG-UHFFFAOYSA-N 350.447 4.329 0 1 FIAF C[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171995 CYMGAHNKUOJQBM-MRXNPFEDSA-N 366.179 4.032 0 1 FIAF Oc1c(Br)ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 587115199 HTTUDMHMSMANSG-UHFFFAOYSA-N 358.117 4.112 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc3nc(C(C)(C)C)oc13)O2 587394539 HAZVQWNVPFSNHO-INIZCTEOSA-N 351.406 4.117 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)(C1CCOCC1)CC2=O 587491074 RRYYUZXTZUAHNM-JOCHJYFZSA-N 367.445 4.027 0 1 FIAF CCN(CC)CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587738972 FBVUIBATSTZBNJ-PXAZEXFGSA-N 357.311 4.070 0 1 FIAF CC(C)[C@@H](c1nc2cccc(O)c2[nH]1)N(C)C(=O)OCc1ccccc1 587199122 VRDSEQUAQASTKJ-SFHVURJKSA-N 353.422 4.234 0 1 FIAF COC[C@]1(C2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587798207 YOPMSQJFPHJNBB-PIGZYNQJSA-N 356.279 4.154 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(O)CCCCC2)N1 587824294 ZNPZBZYKDCYJHT-ZBEGNZNMSA-N 356.279 4.033 0 1 FIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(C)c2[nH]1 587113725 SVPFWTNTJFPHHW-SFHVURJKSA-N 361.367 4.290 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3occc32)N1 587834468 ROKAGHNUUWUYFZ-BTDLBPIBSA-N 350.231 4.295 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(F)c(F)c(F)c1 587868024 IAMGFXDGQDNKEN-UHFFFAOYSA-N 373.256 4.379 0 1 FIAF COc1ccc2c(c1)CCCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444922 XIGNYGISNOMBGV-XMSQKQJNSA-N 350.414 4.073 0 1 FIAF Cc1nn(C(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580700 IYCMTQOOLBQKEL-RXVVDRJESA-N 364.401 4.181 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1c(C)cc(C)c(C=O)c1C)[C@@H](C2)C3=O 587446599 ZSJFKLLSYSKWSY-JTSKRJEESA-N 350.414 4.096 0 1 FIAF Cc1c(C(=O)O)[nH]c2c1[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587521122 AFTHLHZCJWIVIZ-QFIPXVFZSA-N 365.429 4.097 0 1 FIAF CCCN1[C@@H](c2ccc(OCc3ncon3)cc2)c2ccccc2C[C@H]1C 963236172 XOAUGDLGBAJWRS-ZHRRBRCNSA-N 363.461 4.395 0 1 FIAF CCN(CC)[C@H]1CCCC[C@@]12c1cccc(Br)c1CCN2C 963288506 CLACDRGEPITWKA-RBUKOAKNSA-N 365.359 4.417 0 1 FIAF CC(=O)Nc1ccc([C@@H]2c3cccc(Br)c3CCN2C)s1 963288726 FVYYGAUWSSANNG-INIZCTEOSA-N 365.296 4.046 0 1 FIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3cc(OC(C)C)ccc3C2)cc1 1772612878 DOMNVXDWXMUHFS-QGZVFWFLSA-N 366.505 4.229 0 1 FIAF COC1(c2cc(F)cc(OCc3ccc4ncncc4c3)c2)CCOCC1 13725458 HYNHEKHFKHCUDA-UHFFFAOYSA-N 368.408 4.000 0 1 FIAF CNCC[C@@H](Oc1ccccc1I)c1ccccc1 13730744 SVWCZHHSRIZTQG-OAHLLOKOSA-N 367.230 4.021 0 1 FIAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOc3ccccc32)cc1 13757936 OLQZWHBUNRDXBR-UHFFFAOYSA-N 372.424 4.287 0 1 FIAF NC(=O)c1ccc(Oc2ccc(CNCCc3ccc(F)cc3)cc2)cc1 166240796 PABCCZSWGPTLTN-UHFFFAOYSA-N 364.420 4.049 0 1 FIAF Cn1c2c(c3ccccc31)CN(CCCC(=O)c1ccc(F)cc1)CC2 13476809 BRAWOEHBVBILRO-UHFFFAOYSA-N 350.437 4.339 0 1 FIAF CC1CCN(CCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 13531207 PFTTWXTWFHVTMR-UHFFFAOYSA-N 372.534 4.251 0 1 FIAF CC1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1COc1c2ccoc2cc2oc(=O)ccc12 14859296 NARMSCOFUYUPNJ-CBGDNZLLSA-N 370.401 4.033 0 1 FIAF biogenic CC(C)(C)c1ccc(/C(=C\C[C@H](N)C(=O)O)c2ccc(F)cc2F)cc1 28771744 WYCLXMAZRDIHSB-XLCPLWEUSA-N 359.416 4.496 0 1 FIAF CCN1C(=O)CC(C)(C)c2cc(C)c(-c3ccc(/C=C/C(=O)O)o3)cc21 28952450 HCCSLXKEGONRAM-VQHVLOKHSA-N 353.418 4.387 0 1 FIAF Nc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 29340095 DEGASONJFRAOIK-UHFFFAOYSA-N 355.228 4.384 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[C@H](C)[C@H](C)C2=O 40940263 AQILVQJBVWGDOL-XAAFQQQXSA-N 354.402 4.033 0 1 FIAF O[C@H](CCN1CCN(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 59260744 GYDAXTHZSDJWEE-HSZRJFAPSA-N 364.464 4.225 0 1 FIAF CCCOC(=O)CCn1ccc2c3[nH]c(-c4ccccc4)cc(=O)c3ccc21 66112221 CQJNOUNTZYFLEQ-UHFFFAOYSA-N 374.440 4.493 0 1 FIAF COc1ccc(Nc2cc3c(cn2)[nH]/c(=N\Cc2ccccc2)n3C)c(C)c1 82081822 SDUAANDKNRAZPR-UHFFFAOYSA-N 373.460 4.063 0 1 FIAF CC(C)(C)n1nc(Cc2cccc(Cl)c2Cl)c2c(N)ncnc21 95585320 OXDASQFBOLRAQY-UHFFFAOYSA-N 350.253 4.061 0 1 FIAF O=C1c2sc(COc3cccc(F)c3)nc2CCN1c1ccc(F)cc1 96283921 GNTHMLNKEUQGGZ-UHFFFAOYSA-N 372.396 4.203 0 1 FIAF CCCCC[C@H](O)/C=C\[C@@H]1[C@H]2CO[C@@H](C2)[C@@H]1C/C=C/CCCC(=O)O 100309679 DJKDIKIDYDXHDD-LBIILVDSSA-N 350.499 4.336 0 1 FIAF in-vitro O=c1cc(-c2ccc(-c3ccsc3)cc2)sc(N2CCOCC2)c1 101076753 IGSGHOAOJGOMDH-UHFFFAOYSA-N 355.484 4.340 0 1 FIAF CC(C)C[C@@H]1C[N+]2=C(NC[C@H]2C2CCCCC2)N1CC[C@@H]1C[C@@H]2CC[C@@H]1C2 141596889 SGIBUXSDRUUCRC-KNQBKSORSA-O 372.621 4.464 0 1 FIAF CSc1nn(-c2ccccc2)c2cc(NC(=O)c3cccnc3)ccc12 150164529 SFLNEERJCXCBKD-UHFFFAOYSA-N 360.442 4.395 0 1 FIAF COc1ccccc1NC(=O)c1cccc(NC(=O)CC2CCCC2)c1 169303655 WEKGYZJKOXDCLN-UHFFFAOYSA-N 352.434 4.466 0 1 FIAF Cc1cc(Br)ccc1-n1cccc1-c1nc2ccncc2[nH]1 586980702 FICDGMMQPUDHGZ-UHFFFAOYSA-N 353.223 4.487 0 1 FIAF Cc1c(Br)cnc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c12 587085050 XKKMOGMZLMLDLL-UHFFFAOYSA-N 358.026 4.398 0 1 FIAF CCOC(=O)[C@@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587096223 BDKSLPGPFWAJDW-MRXNPFEDSA-N 357.409 4.348 0 1 FIAF FC(F)(F)c1ccccc1Cc1nc2c(Br)ccnc2[nH]1 587099108 XTTBESDRRPXEGW-UHFFFAOYSA-N 356.145 4.330 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cnc3ccccc3c2[nH]1 587232700 ADLLOXAXHICUKE-ZFWWWQNUSA-N 352.438 4.272 0 1 FIAF CCO[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357062 SCOYFOWYHLYDSX-SBHAEUEKSA-N 356.393 4.218 0 1 FIAF COc1ccccc1[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399206 JRBBKSGUHGLXNT-HSZRJFAPSA-N 359.425 4.495 0 1 FIAF COc1sc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587410474 NLQFNGWZQMTBPX-GFCCVEGCSA-N 368.252 4.116 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1c(-c4ccccc4)noc1C)[C@@H](C2)C3=O 587437130 XDIPQUXTFGGZGB-AOMKIAJQSA-N 361.397 4.321 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(C)C)c(OC)c1)[C@@H](C2)C3=O 587440388 GRWMMCPSPHWESI-AOMKIAJQSA-N 368.429 4.227 0 1 FIAF C[C@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549503 QNMHCQSFFZMACG-WMLDXEAASA-N 352.308 4.455 0 1 FIAF COc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615600 YTZNOHSSDVMUFH-YJBOKZPZSA-N 354.383 4.165 0 1 FIAF CCCCn1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587766718 WOCIBZNDZCCGHZ-PIGZYNQJSA-N 366.278 4.208 0 1 FIAF CC1=CC[C@H]([C@@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)CC1 962698961 DGBOUPKZNBKBGP-SDDDUWNISA-N 371.374 4.405 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@@](c3ccc(F)cc3F)(C(C)(C)C)c3cccc1c32 963039705 ZRCSRVNANGCNAO-MCMMXHMISA-N 370.443 4.308 0 1 FIAF Cn1c(C(=O)Nc2ccc(OCc3ccncc3)cc2)cc2sccc21 1772650838 HWNKNRGWYNTGKJ-UHFFFAOYSA-N 363.442 4.466 0 1 FIAF COc1cc(-c2cc(O)nc3c(O)c(OC)ccc23)cc(SC)c1OC 1857559428 GVGFHHPNSKAEKA-UHFFFAOYSA-N 373.430 4.061 0 1 FIAF N[C@@H](Cc1ccccc1)c1csc(N=c2ccc(-c3ccccc3)n[nH]2)n1 1857610143 DMDHKVVKZXBEFF-KRWDZBQOSA-N 373.485 4.008 0 1 FIAF CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c2ccccc2N)C1 2356448549 HKHOXKLGGSDMQO-CZAYHTPWSA-N 357.494 4.338 0 1 FIAF COC=C(C(=O)OC)C(C)=CC=Cc1ccc(OCC=C(C)C)c(O)c1 2356536475 WMDIAAUGKNWXHK-UHFFFAOYSA-N 358.434 4.400 0 1 FIAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNC(C)C)C=C3C)[nH]c2n1 2356559451 DBDBZDUDXMZOSU-OKZBNKHCSA-N 370.541 4.362 0 1 FIAF COC(C=CC(=O)O)=CC(C)=C[C@@H]1CCCC(O)=C1c1cc(O)ccc1O 2356713478 JWYMNWHSOJGMDL-AWEZNQCLSA-N 372.417 4.284 0 1 FIAF CCN(C(=O)c1onc(-c2ccc(F)cc2)c1[C@@H](C)O)C1CCCCC1 2356779993 ZWVGWAHWVVSQQI-CYBMUJFWSA-N 360.429 4.329 0 1 FIAF COc1cccc(-c2ccc(-c3cn(-c4cccc(C(=O)O)c4)nn3)cc2)c1 2382221065 MYIPAVVWHTZGEY-UHFFFAOYSA-N 371.396 4.308 0 1 FIAF COc1ccccc1-c1ccc(-n2cc(-c3cccc(C(=O)O)c3)nn2)cc1 2382226310 QCJSDODLPGMNCD-UHFFFAOYSA-N 371.396 4.308 0 1 FIAF C[C@]1(C(=O)Nc2cccc3cccnc23)CCN1C(=O)CCC1CCCC1 61905871 DHYKUHGEPRZGBG-JOCHJYFZSA-N 365.477 4.135 0 3 FIAF CC1(C)c2ccccc2C(C)(C)[C@H](C(=O)O)[C@@H]1C(=O)Nc1ccccc1 1619899 HDLLAELPXJDNCH-MSOLQXFVSA-N 351.446 4.211 0 1 FIAF Clc1cccc(Nc2[nH]nc3ncnc(NCc4ccccc4)c23)c1 3815403 LRHDXMDHHMEKIP-UHFFFAOYSA-N 350.813 4.362 0 1 FIAF COc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1 28524030 MYEJDVPGYUELCG-UHFFFAOYSA-N 373.355 4.144 0 1 FIAF CCOC(=O)c1nn(-c2ccccc2)c(-c2ccc(OC)cc2OC)c1C 103208456 XVEAJRDRLDQWMB-UHFFFAOYSA-N 366.417 4.042 0 1 FIAF CSc1ccccc1NC(=O)[C@@]1(C)CCN1C(=O)CCC1CCCC1 61929748 ZKCWYUKFCMIDAW-HXUWFJFHSA-N 360.523 4.308 0 3 FIAF CO[C@@H](CCC(C)=CCOc1ccc2ccc(=O)oc2c1)C(C)(C)OC 2356726968 CHRNOINRXHQYBU-IBGZPJMESA-N 360.450 4.338 0 1 FIAF C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1 26577132 TWUIGSXFXJPBFN-IAGOWNOFSA-N 359.464 4.175 0 1 FIAF COC(=O)CC[C@]12[C@H]3CCC[C@@]34CC[C@H]3[C@@H]4N4C[C@H](C)[C@@H](CC[C@@]31C)[C@@H]42 2356862346 UZKATYCSEUEWKQ-LAHLPIPOSA-N 357.538 4.255 0 1 FIAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCCC[C@H](C)[C@H]1OC(=O)[C@@H]1CO 2356870760 XUNUQGSQIUZPQY-GVZBARQTSA-N 366.498 4.110 0 1 FIAF CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12 73196088 CKCCCTPOXSHAKA-UHFFFAOYSA-N 353.466 4.229 0 1 FIAF COc1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1 84742240 NLEGLFDKJNDRBR-UHFFFAOYSA-N 359.469 4.319 0 1 FIAF c1ccc(-c2nc3ncnc(NC[C@@H]4CCCO4)n3c2-c2ccccc2)cc1 84740516 OONQPCXWKDRGOQ-SFHVURJKSA-N 371.444 4.049 0 1 FIAF CCNc1nc(OCC(F)(F)F)c2c(n1)-c1ccccc1CC2(C)C 95604409 JQRUAVFZDNPUMR-UHFFFAOYSA-N 351.372 4.350 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CN(C(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253701848 YXKNWBJKYNIVOY-KAKDVIIHSA-N 361.526 4.029 0 1 FIAF Cc1ccc(Sc2ccccc2N2C[C@H](C)N(CC(=O)O)C[C@H]2C)cc1 261135453 LYXNCDUSNBFCIB-DLBZAZTESA-N 370.518 4.130 0 1 FIAF O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1ccccc1F 473182963 DJWHQZRHGSJBCB-UHFFFAOYSA-N 366.358 4.237 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCOC1CCCC1 587602471 XZEPEXINRIHOGC-MJGOQNOKSA-N 354.402 4.072 0 1 FIAF CCCCOC(=O)[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523781 POQWTURDJPDIIZ-PGRDOPGGSA-N 356.462 4.413 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(O)cc1F 587557163 MCNJSPUDQQGQPJ-PXNSSMCTSA-N 370.307 4.079 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(F)c2F)N1 587719808 LYDGEQZKCYGDMG-QZTNRIJFSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2Cl)N1 587706966 TYCLCRZCGCEJEO-JDNHERCYSA-N 369.665 4.434 0 1 FIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587163279 KBYQYFNIBPEHLU-HNNXBMFYSA-N 353.319 4.252 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cncc(F)c2)N1 587736751 WULGEPUUUBMEBN-QGHHPUGFSA-N 367.237 4.330 0 1 FIAF Brc1c(OCc2nc3cccnc3[nH]2)ccc2ccccc12 587003023 ZZCKDZULEWXBKR-UHFFFAOYSA-N 354.207 4.453 0 1 FIAF CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587447205 NPXIOOSPHYFTEO-PYXDNSQISA-N 370.445 4.039 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)cc(F)cc1OC)CC2=O 587465107 ALXXEGJSUFGNPW-SFHVURJKSA-N 360.381 4.208 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN2CCCCC2)N1 587766002 LUJQYHHEEOUNAK-SCLBCKFNSA-N 369.322 4.214 0 1 FIAF Nc1ccc(/C=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587251624 KEDSGPXLFDJYHL-UTCJRWHESA-N 350.166 4.356 0 1 FIAF Clc1ccc2ccn(Cc3nc4cc5c(cc4[nH]3)OCCCO5)c2c1 587081433 WCXMFAMPAJONDU-UHFFFAOYSA-N 353.809 4.381 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(C)=O)cc1C)CC2=O 587471027 PXKJANPJPDJODB-JOCHJYFZSA-N 367.445 4.492 0 1 FIAF Fc1c(Br)ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587122689 GKPXNWJRADSEMS-UHFFFAOYSA-N 372.144 4.170 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccnc1F 587566630 AAOOPOIFMAABKU-YJBOKZPZSA-N 371.751 4.283 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)s2)N1 587852554 HGCTZKPQTINICY-INWYIAFRSA-N 361.667 4.322 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cccn4)cc1Cl)[C@@H](C2)C3=O 587418529 IVTASHPWKOZCTR-YWZLYKJASA-N 366.804 4.023 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(OC)cc1 587871890 PCWJACLDZCEIIS-UHFFFAOYSA-N 355.369 4.177 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C)c1Oc1ccccc1)O2 587389077 FATPGQVEKFLUCB-SFHVURJKSA-N 363.417 4.118 0 1 FIAF CCOC(=O)C[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 13491916 UGHBJNQFYIFUDZ-OAQYLSRUSA-N 365.473 4.202 0 1 FIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cc(Cl)cc(Cl)c1 169369426 ILHUURNQKXQSLQ-UBTRTASESA-N 352.261 4.033 0 1 FIAF Cc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1cn(C)c(=O)nc1S 1857637289 TYHJDIVXSAMZRO-UHFFFAOYSA-N 360.482 4.350 0 1 FIAF CC1=C(C(=O)Nc2ccccc2Cl)[C@H]([C@H](C)c2ccccc2)NC(=O)N1 103196573 FYCUDLOVPMWADZ-XIKOKIGWSA-N 369.852 4.038 0 1 FIAF Cc1ccc(NC(=O)NCCNc2ccnc3c(F)cc(F)cc23)cc1C 103179432 WVJSSLGFNAHIKD-UHFFFAOYSA-N 370.403 4.363 0 1 FIAF Cc1ccc(O)c(C(=O)NCCCCN2[C@@H](C)CC[C@@H]3CCCC[C@@H]32)c1 29396945 FQAYDVIXIUMRCG-BJLQDIEVSA-N 358.526 4.254 0 1 FIAF c1cnn(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)c1 38931332 ZQUHCMSLRYODBS-UHFFFAOYSA-N 360.461 4.013 0 1 FIAF Cc1cn(C2=CC[C@H]3[C@@H]4CCC5=CC(=O)NCC[C@]5(C)[C@H]4CC[C@]23C)cn1 146038286 KKEGUUIHRPSAQY-PTRTWWQBSA-N 365.521 4.331 0 1 FIAF Cc1nc2sc(C(=O)NCC3CCCCC3)c(N)c2c(C)c1Cl 95594801 VVTNMQAHSDNYOY-UHFFFAOYSA-N 351.903 4.459 0 1 FIAF O=C(Nc1ccc(F)cc1-c1nc2ccccc2[nH]c1=O)c1cccs1 95560513 NJOKVPWLLKQMQX-UHFFFAOYSA-N 365.389 4.043 0 1 FIAF Clc1ccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c2c1 653726546 JTZFLQPOHMQBDK-SFHVURJKSA-N 356.853 4.101 0 1 FIAF COc1cccc(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597369 YWYOKFIPNDDKMH-DENIHFKCSA-N 362.381 4.412 0 1 FIAF CC(C)O[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587359060 ZLMUQCIUEPRZDT-SFHLNBCPSA-N 356.393 4.216 0 1 FIAF CCOc1ccc(OCC)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587399327 JBKSCROJOQVCOH-OAQYLSRUSA-N 355.434 4.255 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CF)(c2ccccc2)N1 587721712 XDZJVPPPKPKTQH-PIGZYNQJSA-N 352.222 4.336 0 1 FIAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(C(=O)O)cc3[nH]2)cc1 587937187 OBOPERDTYREMCQ-FQEVSTJZSA-N 358.397 4.450 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2c1ccccn1 587587467 MZBCLLOVFRXGCJ-ITSWEJNFSA-N 373.408 4.455 0 1 FIAF COc1ccc(-c2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 587394651 XUCSBNLORPVVGM-OAQYLSRUSA-N 360.413 4.354 0 1 FIAF COc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586998435 JVNXEMRTMDUOGP-GORDUTHDSA-N 373.206 4.233 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cncc(Cl)c2[nH]1)C(C)(C)C 587203618 FWWXPDUTEBWWTA-LBPRGKRZSA-N 352.866 4.093 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ncoc2c1 587589217 WIYUOPNEZDNGML-GHTZIAJQSA-N 359.337 4.236 0 1 FIAF N=c1[nH]cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc-2[nH]1 587047553 KTTVMEKCPOZQJE-UHFFFAOYSA-N 356.216 4.358 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCSc4ccc(OC)cc41)[C@@H](C2)C3=O 587453716 SCBPOMPVWAKPQV-HRAATJIYSA-N 368.454 4.233 0 1 FIAF FC(F)(F)c1cc(Br)cc2nc(CCOCC3CC3)[nH]c12 587785233 ZCUYKDCJFDQHPK-UHFFFAOYSA-N 363.177 4.313 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c[nH]nc3c2)N1 587795716 OHJYZCAZSNMAOT-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF C[C@@H]1CC2(Cc3c1nc1cccc4c1c3-c1ccccc1C4=O)OCCO2 587209699 SDEBRUPEXLATHG-CYBMUJFWSA-N 357.409 4.239 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2c1 587152081 YRBUMSCKFKNOGR-MRVPVSSYSA-N 366.751 4.421 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(C(=O)O)CC2=O 587462842 QWQCDZMDEXAWLF-HXUWFJFHSA-N 374.820 4.029 0 1 FIAF Clc1cccc(-c2cc(-c3nc4c(Br)cncc4[nH]3)n[nH]2)c1 587068231 MTVZFCLJCWZJEH-UHFFFAOYSA-N 374.629 4.431 0 1 FIAF CCOC(=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068234 MYCADJFUCQIPLK-UHFFFAOYSA-N 366.808 4.450 0 1 FIAF O=C1C[C@](c2ccccc2)(c2ccncn2)Oc2c1ccc1c2CCCC1 587516040 TYNDQVMCCVIRJN-QHCPKHFHSA-N 356.425 4.264 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCc4c1[nH]c1c(C)cc(C)cc41)[C@@H](C2)C3=O 587438919 RRLOFQIVPNKYQD-SBUREZEXSA-N 359.425 4.382 0 1 FIAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587249341 IHTQUVIEIJEVRH-UHFFFAOYSA-N 369.730 4.106 0 1 FIAF COc1ccc(-c2nnc(-c3ccc4nc(C5=COCC5)[nH]c4c3)o2)cc1 586913911 VDYYRTUYXFWQFG-UHFFFAOYSA-N 360.373 4.050 0 1 FIAF COc1cc2c(cc1OC)[C@@]1(Cc3ccc(Cl)cc3C1)N(C)[C@H](C)C2 962637388 WTVJTXDYEGLQBQ-ASSNKEHSSA-N 357.881 4.228 0 1 FIAF Cn1ncc2c(NC(=O)N[C@@H]3CC[C@@H](c4ccccc4F)C3)cccc21 169704963 CTXFBRJRFVJZDD-ZIAGYGMSSA-N 352.413 4.170 0 1 FIAF CC(=O)[C@@H](C)n1c(=O)nc(-c2ccccc2)c2c3c(sc21)CCCC3 1857599126 PGKNAWOOIJAHOP-GFCCVEGCSA-N 352.459 4.154 0 1 FIAF Cc1cc([C@@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)sc1C 1857643090 HGMUZURNXRQNKW-LJQANCHMSA-N 374.469 4.106 0 1 FIAF CCN(CCCN(CC)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 1651309 PMBYEWRBCHIIOG-UHFFFAOYSA-N 368.481 4.485 0 1 FIAF O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1S[C@H]2c2ccc3ccccc3c21 101899911 ZFPGOEXUFNQOHD-ZRNYENFQSA-N 357.434 4.488 0 1 FIAF Cc1ccccc1OC1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 103269141 SFDFAGAZXPXDDZ-UXHICEINSA-N 350.462 4.104 0 1 FIAF CCSC[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954269 KZYNYNVUUWUYNT-LLVKDONJSA-N 359.200 4.373 0 1 FIAF COc1ccc2c3c1O[C@H]1CC[C@H](C)[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 26718006 WBROHQFHMPKJBH-NOODBPRFSA-N 353.506 4.171 0 1 FIAF COc1ccc(-c2ccoc2-c2cc(OC)c(OC)c(OC)c2)cc1O 72110015 FNSNYNXXMRWRBJ-UHFFFAOYSA-N 356.374 4.354 0 1 FIAF CCOc1ccc2c(c1)c1c(n2CCF)CCC[C@H]1C(=O)N(CC)CC 73198878 NWTOHPLZYJPHQI-MRXNPFEDSA-N 360.473 4.298 0 1 FIAF COc1ccc([C@@H](O)CCN2CC=C(Cc3ccccc3)CC2)cc1OC 84758429 KNEXRPBWIYIHRH-NRFANRHFSA-N 367.489 4.002 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(SC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C 45283808 UVNCBAMPWZRVGM-MYPMTAMASA-N 359.413 4.038 0 1 FIAF Nc1ncc(-c2cc([C@@H]3CCOC3)n([C@H]3CCC(F)(F)C3)n2)cc1Cl 146511824 STCUXMPUBAGDFS-PWSUYJOCSA-N 368.815 4.045 0 1 FIAF CC(=O)OCC1=C[C@@]2(O)O[C@@H]1C[C@H]1C3=C(C(C)C)CC[C@]3(C)CC[C@]12C 238773208 WOKVOSAADLEXDD-OMTGHCCBSA-N 360.494 4.136 0 1 FIAF CC(=O)O[C@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C(=O)OC[C@@H]3[C@@]12C 238750310 SPWYWLLHMLQUGG-DCIWYKSFSA-N 362.510 4.360 0 1 FIAF CC(C)Cc1nc(-c2ccncc2)sc1C(=O)NCc1ccc(F)cc1 2382247092 MLUJVOAYOZJVIF-UHFFFAOYSA-N 369.465 4.473 0 1 FIAF CCc1c(C(=O)NCCc2cccc(N(C)C)c2)[nH]c2ccc(Cl)cc12 299865096 NDVLYTTXLWSSNJ-UHFFFAOYSA-N 369.896 4.422 0 1 FIAF COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)o1)CC2 299821217 BUOJXZVSZKMNSY-UHFFFAOYSA-N 365.429 4.228 0 1 FIAF CCn1c(C)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587755316 OSNDZGDHVCXFQJ-BTDLBPIBSA-N 351.263 4.342 0 1 FIAF O=C1C[C@@](c2ccco2)([C@@H](O)c2ccco2)Oc2c1ccc1c2CCCC1 587534796 YSPGGRISVHGIAL-FCHUYYIVSA-N 364.397 4.346 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)ncn3C)N1 587755263 HHQWJXRCKXWOEC-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF COC(=O)c1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587133988 HERQFLQZSGJPDP-AATRIKPKSA-N 368.261 4.215 0 1 FIAF O=C1CC2(Oc3c1ccc1c3CCCC1)c1cccnc1-c1ncccc12 587526344 PKWNPHIWXJWILG-UHFFFAOYSA-N 354.409 4.245 0 1 FIAF CCOC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587420086 GHRPYJVYOUFHPC-KUHUBIRLSA-N 372.804 4.014 0 1 FIAF COc1cc2c3c(c1)OC1(c4ccsc4-c4sccc41)[C@@H](C2)C3=O 587451281 JVIIIRRFPXCJOM-ZDUSSCGKSA-N 352.436 4.490 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)s1)[C@@H](C2)C3=O 587449654 GJHYGZHYSBVSCU-BJOHPYRUSA-N 351.221 4.008 0 1 FIAF CCCCCc1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)N[C@@H]1CCOC1=O 587641980 IPMFWCKMNARHOJ-IFXJQAMLSA-N 370.493 4.459 0 1 FIAF CCCc1noc(-c2cccnc2-n2nc3cc2Oc2ccc(F)cc2-3)n1 587875444 OMVNHGNOJFFOSY-UHFFFAOYSA-N 363.352 4.182 0 1 FIAF Fc1ccc2c(c1)-c1cc(n(-c3nc4cc5c(cc4s3)OCO5)n1)O2 587875800 JQKOUUXKSOPKSG-UHFFFAOYSA-N 353.334 4.123 0 1 FIAF Cc1ccc(-n2cnnc2SCc2nc3cccc(O)c3[nH]2)cc1Cl 586968529 SRMUIPZFGYOSIG-UHFFFAOYSA-N 371.853 4.103 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3c[nH]cc32)N1 587795474 XKYGTTPKPFZTOE-ADLMAVQZSA-N 363.274 4.421 0 1 FIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)cc(F)cc3[nH]2)s1 587023705 UQRIAQXTCDQZPJ-UHFFFAOYSA-N 352.366 4.312 0 1 FIAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587723564 BIJABCDXQPNJKK-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc(O)c1C3 586990597 GOQAVGTVKJVZPD-UHFFFAOYSA-N 351.361 4.429 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2cc(C)c(C)cc2[nH]1)C(F)(F)F 587091855 GUIWJKGVPZJNHC-SFHVURJKSA-N 363.383 4.343 0 1 FIAF Nc1ccc(-c2ccc3nc(-c4cc(F)cc(F)c4O)[nH]c3c2)cc1N 587133873 GBJHAEHZAGOHIO-UHFFFAOYSA-N 352.344 4.045 0 1 FIAF CCCC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806046 IRAUDFBLCDJYMY-APPDUMDISA-N 372.278 4.071 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2c1cccnc1 587584897 BNXKTEGHNZLRQR-DHJUGAMNSA-N 373.408 4.455 0 1 FIAF C[C@@]1(Cc2ncccc2C(=O)O)NCCc2cccc(-c3ccccc3)c21 962662906 MRCQEEJHLHVRGM-QHCPKHFHSA-N 358.441 4.050 0 1 FIAF COC(=O)[C@H]1C[C@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963115130 ZMPPDFALMSCASY-LIRRHRJNSA-N 362.256 4.043 0 1 FIAF Cc1c(F)ccc2c1[C@@](CC(=O)C(F)(F)F)(c1cccs1)NCC2 962142014 CYABAXPBUOTKHW-MRXNPFEDSA-N 357.372 4.106 0 1 FIAF CC(C)(C)[C@@]1(Cn2cccn2)NC2(CC2)Cc2ccc(Br)cc21 961613943 IZJUEMORFJBPGX-IBGZPJMESA-N 374.326 4.266 0 1 FIAF COc1cc(-c2noc(C)c2/C=C/c2ccc(N)cc2)cc(OC)c1OC 12474381 NMFFIKLBSDHAPC-JXMROGBWSA-N 366.417 4.428 0 3 FIAF CCCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 13445096 IJUJDBLULUOGGF-UHFFFAOYSA-N 350.253 4.467 0 1 FIAF Cc1cc(C)cc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)[C@@H]2N3C)c1 13470196 MMFNDUBHUKJLAW-IRLDBZIGSA-N 365.477 4.283 0 1 FIAF C[C@@H](F)C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 13676628 QPOSPHNNBYIFHO-GOSISDBHSA-N 354.469 4.085 0 1 FIAF CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cncc(C5CC5)n4)c3c2)o1 203727009 BRWANDFSFFFOPJ-UHFFFAOYSA-N 360.421 4.373 0 1 FIAF Cc1ccc(CNC2CCC3(CC2)O[C@H](O)Cc2ccccc23)c(C)c1 1857632992 CLNRJJCIOYGSHB-APKLWFBNSA-N 351.490 4.122 0 1 FIAF C(=N/Nc1nc(-c2ccccc2)cs1)\c1ccc(N2CCOCC2)cc1 23099157 YZTAGZRCGXBATP-KGENOOAVSA-N 364.474 4.093 0 1 FIAF Fc1ccc(-c2ncn(CCCN3CCCC3)c2-c2ccncc2)cc1 1540868 XYBYJNUTYQCHIH-UHFFFAOYSA-N 350.441 4.237 0 1 FIAF CC[C@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 2567720 HRZJJXGXZVSRIB-MYSGWJLTSA-N 353.915 4.379 0 1 FIAF COc1ccc(CN[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccccn4)c3C)C2)cc1 8623862 ICPMIPHAXGVPSY-WOJBJXKFSA-N 374.488 4.095 0 1 FIAF biogenic COc1cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc2c1CC=C(C)C 13548089 SSZKJJSIOQYOMC-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF biogenic CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN 13738771 DMWBCGUKIPQQNO-UHFFFAOYSA-N 370.670 4.229 0 1 FIAF CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COCc2cc(-c3cccs3)on2)C1 20925855 PEAGNNHEHPPKKJ-YWZLYKJASA-N 374.506 4.347 0 1 FIAF O[C@](CN1CCCC1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 26844417 FWXGGSLWJRYADG-QHCPKHFHSA-N 362.448 4.219 0 1 FIAF COc1cc2c(cc1OC)[C@H](C[C@H](O)c1ccc(Cl)cc1)N(C)CC2 28524950 MSXJZHUTIDWQBZ-ROUUACIJSA-N 361.869 4.010 0 1 FIAF CC1(C)C=Cc2c(ccc3c2OC[C@@H]2c4cc5c(cc4O[C@H]32)OCO5)O1 28871442 PAAJONLTKBLVPE-JLTOFOAXSA-N 350.370 4.209 0 1 FIAF biogenic,in-vitro CNCC[C@H](c1cccc(Cl)c1)N1C(=O)C(C)(C)c2cccc(F)c21 34986674 BTDNKAUJHUIUPT-QGZVFWFLSA-N 360.860 4.454 0 1 FIAF CCN(CCCN1CCCC1)c1cc(C)nc(Nc2ccc(Cl)cc2)n1 45229023 BKQYUIXFPLXDSS-UHFFFAOYSA-N 373.932 4.494 0 1 FIAF O=C(Nc1ccccc1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 95574370 RDMCKQZPMJRRCU-OAQYLSRUSA-N 363.436 4.375 0 1 FIAF CN1[C@H]2CC[C@H]1CC(NC(=O)N1CC3(CCCCC3)c3ccccc31)C2 100812554 WFSPCDVWDKOOED-ROUUACIJSA-N 353.510 4.043 0 1 FIAF COc1cc2ncnc(Nc3cccc(O)c3)c2cc1-c1ccc(O)cc1 143284418 IDLIZJWWQMZOEP-UHFFFAOYSA-N 359.385 4.460 0 1 FIAF C=C(c1ccccc1)c1ccc([C@H]2C[C@@H]3CC[C@H]([C@@H]2C(=O)OC)N3C)cc1 195429263 HVLZZLCPCRNKEL-WBADGQHESA-N 361.485 4.487 0 1 FIAF CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(C)C)cc3)n2)CC1 201766539 RCRIHMQHFVBHOB-UHFFFAOYSA-N 358.507 4.293 0 1 FIAF O=c1cc([C@H](O)c2ccccc2)n(-c2cccc(-c3ccccc3)c2)cc1O 299870615 WPLQBESTXAGXJC-XMMPIXPASA-N 369.420 4.292 0 1 FIAF Cc1ccc(C(C)C)c(Oc2cccc(Cl)c2CN=c2[nH][nH]c(=N)[nH]2)c1 473113541 JFCRCWZZVREPJH-UHFFFAOYSA-N 371.872 4.129 0 1 FIAF Cc1cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2cc1Br 586882526 WXCPLULSHOJBHI-SREVYHEPSA-N 357.207 4.399 0 1 FIAF COC(=O)c1ccc2nc([C@H](C)SCc3ccccc3)[nH]c2c1OC 586964459 ZYZDDTHFGIDYBE-LBPRGKRZSA-N 356.447 4.353 0 1 FIAF Nc1c(O)cccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987585 OTVNTRCNXDKVGS-UHFFFAOYSA-N 354.365 4.107 0 1 FIAF COc1cnc(-c2nc3c(C)c(Br)ccc3[nH]2)cc1Cl 587065108 TXCDVJUEHYTNRL-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587084486 AYVCNADBYRVNEZ-UHFFFAOYSA-N 368.755 4.178 0 1 FIAF COc1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587218799 LNQXPUNHMDUMOB-FQEVSTJZSA-N 357.413 4.091 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ncc(Cl)cc1Cl)[C@@H](C2)C3=O 587419230 KJKUQYYZUXEHTE-GTNSWQLSSA-N 350.201 4.060 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)cc(Cl)cc1F)[C@@H](C2)C3=O 587424815 VNCZGPJBOBUDRK-BBATYDOGSA-N 350.748 4.290 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)c(C=O)n3ccccc13)CC2=O 587489661 VCSZBVLGMYBYFR-FQEVSTJZSA-N 363.413 4.425 0 1 FIAF CN(C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587510503 HQIHWGXDCLSKFJ-QHCPKHFHSA-N 363.457 4.342 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ocnc2c1 587585862 HUUSHHZCCUFLFB-NQIIRXRSSA-N 359.337 4.236 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccncc32)N1 587779620 UTSFDZSHMLQZPI-VOJFVSQTSA-N 361.258 4.097 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(C)(C)C)N1 587810722 LNGMUJLJLSUQCS-BTDLBPIBSA-N 356.279 4.343 0 1 FIAF CCOC1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587811148 NEBLYZGDVPEXGE-FFLHNBHYSA-N 356.279 4.297 0 1 FIAF CCC[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587818947 SYEHSCQYRZUSMZ-VNBZBWLYSA-N 368.290 4.487 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)ncc2[nH]1 587932194 VMXXRKLPQQOICI-PIGZYNQJSA-N 358.239 4.174 0 1 FIAF CCOc1ccc(-c2n[nH]cc2[C@@H]2NCCc3cc(C)c(F)cc32)cc1 962147335 OUHBMNCNLDUCNV-OAQYLSRUSA-N 351.425 4.158 0 1 FIAF Nc1oc2ccccc2c(=O)c1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962658163 BTELITYVEPEPRV-JOCHJYFZSA-N 368.436 4.277 0 1 FIAF c1cn(-c2cnc(-c3ccc(-c4nn[nH]n4)cc3)c(C3CCCCC3)c2)cn1 1857769462 IIOMTZNGYNBDRF-UHFFFAOYSA-N 371.448 4.162 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@@](C)(CO)CCC[C@@]12C 2356769759 MMJMGOIGFQALOP-TZMRYXNNSA-N 350.499 4.012 0 1 FIAF CC(C)(C)OC(=O)Nc1ccccc1-n1cncc1C(=O)c1ccccc1 205863324 QEPACJHLLSOHFV-UHFFFAOYSA-N 363.417 4.450 0 3 FIAF Nc1c2c(nc3ccccc13)CCC[C@@H]2N1CCN(c2ccccc2)CC1 3802302 FDSMRKVPFKEAPH-NRFANRHFSA-N 358.489 4.017 0 1 FIAF Cc1cccc(CN2CCC(CCN(C)C(=O)c3ccccc3)CC2)c1 3814255 CVRPWRGIDXBEBH-UHFFFAOYSA-N 350.506 4.369 0 1 FIAF COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO)c(C(C)(C)C)c1 7992104 LVONHWRLBWQDCP-KSEOMHKRSA-N 368.473 4.429 0 1 FIAF COc1c2c(cc3c1[C@H]1Oc4cc(O)ccc4[C@H]1CO3)OC(C)(C)C=C2 14613202 OHJQLSXZAOJGEK-VLIAUNLRSA-N 352.386 4.195 0 1 FIAF biogenic O=C1[C@H]2[C@@H]3S[C@@H](c4ccc5ccccc5c43)[C@@H]2C(=O)N1c1ccccc1 17193200 ZFPGOEXUFNQOHD-YSTOQKLRSA-N 357.434 4.488 0 1 FIAF Cc1cc(C)cc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(N)c34)cc2)c1 29129389 RRZHLCPBZXAZPD-UHFFFAOYSA-N 372.432 4.468 0 1 FIAF CCCCCC(=O)Nc1ccc2nn(Cc3ccccc3C(=O)O)cc2c1 29478490 POBGPXRNCKPOKJ-UHFFFAOYSA-N 365.433 4.302 0 1 FIAF COc1cc2oc(-c3ccc(O)cc3O)cc(=O)c2c(O)c1CC=C(C)C 34096110 HLKRNGZABMWIJN-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF biogenic CCCN(CCC)c1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12 40914319 QRRBLFNZUSEDGN-UHFFFAOYSA-N 367.497 4.352 0 1 FIAF CCc1nc(-c2ccc(OC)nc2OC)c(CC)nc1NC(CC)CC 72177997 GJYLEJKYONHKBE-UHFFFAOYSA-N 358.486 4.281 0 1 FIAF C[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 95601848 VHDONQFQZYLFHS-AWEZNQCLSA-N 359.385 4.296 0 1 FIAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cc(Cl)cc(Cl)c1 100912931 ILHUURNQKXQSLQ-DACXUFJFSA-N 352.261 4.033 0 1 FIAF COc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc(C)c2C)cc1 103300927 NPVRPTRIRHRXQA-UHFFFAOYSA-N 372.368 4.127 0 1 FIAF OC1C[C@H]2CC[C@H](C1)N2CCOC(c1ccc(F)cc1)c1ccc(F)cc1 104676543 LFAYUMBLJCKKFH-WOJBJXKFSA-N 373.443 4.059 0 1 FIAF Cc1cccc2c1N(C(=O)CSc1ncccc1C(F)(F)F)CCC2 113622426 GTQOVVAPAPTVRE-UHFFFAOYSA-N 366.408 4.480 0 1 FIAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12 118738308 CRQZRBXFLRRAIQ-UHFFFAOYSA-N 361.398 4.368 0 1 FIAF Cc1cc(Nc2ccccc2)nc(Nc2ccc(N3CCOCC3)cc2)n1 203006564 HQWRDVLDNQMBRQ-UHFFFAOYSA-N 361.449 4.109 0 1 FIAF Cn1cc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cn1 205309120 MSHBPDQSLWXXAL-UHFFFAOYSA-N 357.392 4.013 0 1 FIAF Cc1cccc(C)c1-c1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 222343245 RTFAQLBYFHKCPR-UHFFFAOYSA-N 368.440 4.195 0 1 FIAF COc1cc(O)c(Cc2ccc(O)cc2)c(CCc2ccccc2O)c1 238782170 AWSCUBRGCVADLN-UHFFFAOYSA-N 350.414 4.188 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCCF)cc1)(C(C)C)O2 587383581 SZWMXPVYAZHKLD-OAQYLSRUSA-N 357.425 4.442 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4C)c1C)[C@@H](C2)C3=O 587433389 XBESCSDTQAYKFF-GAJHUEQPSA-N 374.440 4.295 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccn4)cc1)[C@@H](C2)C3=O 587435447 GKTCJXWLVXMEHB-CVDCTZTESA-N 373.408 4.158 0 1 FIAF O=C1C[C@@]2(CCCC[C@H]2N2CCSCC2)Oc2c1ccc1c2CCCC1 587537641 JLIQCAJRZXNLEA-IFMALSPDSA-N 371.546 4.261 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(c1ccccc1)C2 587580004 AXRSCLXZZLQNDU-OFNKIYASSA-N 373.408 4.003 0 1 FIAF CCC1(CC)OC[C@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)O1 587838053 ABTHOQARKGUFTA-UHNFBRDESA-N 372.278 4.095 0 1 FIAF Fc1ccc2c(c1)-c1cc(n(-c3ncc(Br)nc3Cl)n1)O2 587872565 NRUFPGZNECQENM-UHFFFAOYSA-N 367.565 3.990 0 1 FIAF COc1ccc2c(c1OC)[C@H](c1c(F)ccc(F)c1F)N(C)[C@H](C)C2 962618123 BPEHTOBUHDXWHG-MLCYQJTMSA-N 351.368 4.087 0 1 FIAF COc1cc2c(cc1OC)[C@](C)(c1ccc(Cl)cc1N)N(C)[C@@H](C)C2 962628627 PUTMYPGXHOQLTK-YUNKPMOVSA-N 360.885 4.079 0 1 FIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](C2CCCCC2)N1 962928370 YGTAPQRPCLYWHB-SFTDATJTSA-N 367.445 4.405 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(OCc2ncon2)cc1 963236164 XOAUGDLGBAJWRS-KSFYIVLOSA-N 363.461 4.395 0 1 FIAF COc1cc(-c2cc3c(cc2Cl)N=C[C@H]3C(=O)O)ccc1C(C)(C)CO 1772583129 LEPDOZPSTBOFOT-CQSZACIVSA-N 373.836 4.170 0 1 FIAF COc1ccc(-c2cnc3[nH]cc(C(=O)c4ccccc4)c3c2)cc1OC 1857572576 IRWLPNZSVDAUQU-UHFFFAOYSA-N 358.397 4.478 0 1 FIAF Cc1ccc(NC(=O)Cn2cccc2C2=N[C@@H](c3ccccc3)CO2)c(C)c1 4971001 IMBQKRMWAUAGDC-HXUWFJFHSA-N 373.456 4.262 0 3 FIAF CCN(CC)CC/C=C1/c2ccccc2COc2ccc(C(=O)O)cc21 13455789 SAXXMFGUIXYWRS-GRSHGNNSSA-N 351.446 4.441 0 1 FIAF CCCCC[C@H](O)CCCCC[C@@H]1Cc2cc(OC)cc(O)c2C(=O)O1 13460209 LYFHIUXSMZPGHC-DLBZAZTESA-N 364.482 4.374 0 1 FIAF biogenic COC(=O)[C@@H]1CN(CCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1 13475013 BGZDNABQVVRBEL-WOJBJXKFSA-N 357.881 4.161 0 1 FIAF Clc1cc(Cl)cc(COC[C@H](c2ccccc2)N2CCNCC2)c1 22926748 PYMMFZHBPNJQOD-LJQANCHMSA-N 365.304 4.157 0 1 FIAF Cc1ccc(O)c(C(=O)NCCCCN2[C@H]3CCCC[C@H]3CC[C@H]2C)c1 29396942 FQAYDVIXIUMRCG-HBFSDRIKSA-N 358.526 4.254 0 1 FIAF COc1cc([C@H]2OC[C@@H](CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)O2)ccc1O 35966711 ZOGKSXQLOOQXFG-XMGIAMPRSA-N 364.482 4.292 0 1 FIAF in-man O=C(c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12 40584879 IDPNCJHVPJSUIG-UHFFFAOYSA-N 350.443 4.189 0 1 FIAF O=C(NC[C@H]1CCN2CCC[C@@H]1C2)c1ccccc1-c1cccc(Cl)c1 49052658 OQWMGAPGZMIOTJ-QZTJIDSGSA-N 368.908 4.469 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 82142094 GDSMGVSROVZFDH-SQWLQELKSA-N 356.470 4.256 0 1 FIAF CSCC[C@H](Nc1nc(-c2ccccc2C)cs1)C(=O)NC(C)C 82191825 TVRCNZYSSWLGJG-HNNXBMFYSA-N 363.552 4.177 0 1 FIAF C[C@@H]1CCC[C@H]1NC(=O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95598019 QNEFGNKZMJLFIA-IUODEOHRSA-N 361.873 4.002 0 1 FIAF COc1ccc(CNCCCNc2ccnc3cc(Cl)ccc23)cc1 96928868 PDPMCTCTBJBALX-UHFFFAOYSA-N 355.869 4.489 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]2C[C@@H]3[C@H]4C[C@@]21C[C@@]34C 101668689 GTVZKXBUEWHMES-IAXZSQNRSA-N 360.494 4.272 0 1 FIAF O[C@H]1CCC[C@H](c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139349650 UMTVKOCJSLGBPV-RDJZCZTQSA-N 362.433 4.426 0 1 FIAF CCCC[C@@](C)(O)C1=CC[C@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@@H]3C1 169334641 LJTJQLDGHOLLEZ-XQUALCHDSA-N 369.549 4.471 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(C(C)(C)C)cc3)C2)cc1 169694396 DQVXTHRIKLWKCN-INIZCTEOSA-N 366.505 4.449 0 1 FIAF Clc1cnc(Br)c(-c2nc3ccc4c(c3[nH]2)CCCC4)n1 587005903 YUSFRVVRNVIJJW-UHFFFAOYSA-N 363.646 4.315 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2n1 587083752 JMJXKNRKLJFQRM-UHFFFAOYSA-N 364.792 4.127 0 1 FIAF Cc1ccnc2[nH]c(-c3cc(Cl)cc(I)c3)nc12 587183837 JJTSZKNJUXINSN-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c3ccnc-3[nH]cc1C(F)(F)F)O2 587384204 YSPQEQQZLWSPPU-AWEZNQCLSA-N 361.323 4.130 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc3nc[nH]c3c1)O2 587395980 HRLYYTGEWUVLDV-QHCPKHFHSA-N 369.424 4.363 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(OC(F)(F)F)c1)[C@@H](C2)C3=O 587423893 WBAPDGFEXNTUHM-KBXCAEBGSA-N 364.319 4.257 0 1 FIAF CN(C)CC[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587509562 ZQOWTDPAXOQKBS-HSZRJFAPSA-N 365.473 4.083 0 1 FIAF C[C@@]1(Cc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573696 WTDCZPPGTQIVPW-KNQAVFIVSA-N 364.372 4.494 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(O)c2F)N1 587723305 WQHZAPSXLVBHKO-MLXNANBUSA-N 372.184 4.196 0 1 FIAF CNc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587740003 BZYXIHQZAPYSMQ-BBATYDOGSA-N 363.274 4.428 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2NCC3)N1 587797360 SCBHGZNTOCGIPR-MLCYQJTMSA-N 361.258 4.180 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(Cl)n1 587865339 VJNKBHCPHGWHAF-UHFFFAOYSA-N 368.746 4.400 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(O)c(Cl)c1 587869651 OYELENINBWFYMU-UHFFFAOYSA-N 360.772 4.135 0 1 FIAF CC[C@@]1(c2cc(N)ccc2C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618974 CUSAYKRAWXZHBE-IVZQSRNASA-N 354.494 4.124 0 1 FIAF O=C(O)[C@H]1C[C@H]1C(=O)c1ccc(N(CC2CC2)c2ccc(Cl)cc2)cn1 1772615241 GUXNFOKWAUPOIK-SJORKVTESA-N 370.836 4.187 0 1 FIAF O=C(OCc1ccccc1)c1cc2c(OC3CCNCC3)cccc2s1 1857538701 HYQSJQAFCFQFFF-UHFFFAOYSA-N 367.470 4.389 0 1 FIAF Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1Cl 1857580345 OMOSAJIDKWXHGH-UHFFFAOYSA-N 352.619 4.297 0 1 FIAF N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(-c2ccccc2F)[nH]1 1911581264 NRXMHGVXTYHHEY-HNNXBMFYSA-N 356.401 4.037 0 1 FIAF COC(=O)c1ccc(-c2c[nH]c(=N)c(-c3ccc(C(F)(F)F)cc3)n2)cc1 2382225382 DUQFVDXSCJAXIF-UHFFFAOYSA-N 373.334 4.029 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccccc1 4152637 AIOKMVNCPJIMSZ-PZJWPPBQSA-N 366.461 4.093 0 1 FIAF CCCCO[C@@H]1C[C@@]2(c3ccc(OC)cc3)C(=O)c3ccccc3N2O1 5784059 NACNPPUWAADAGY-PZJWPPBQSA-N 353.418 4.072 0 1 FIAF O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 13561284 IFUDRLSXETXJHT-WAOWUJCRSA-N 352.522 4.399 0 1 FIAF CSc1cc2c(cc1Br)CCN2C(=O)Nc1cccnc1 13779433 NNCRFNLFHJBBBH-UHFFFAOYSA-N 364.268 4.161 0 1 FIAF COc1cc(-c2ccc3c(c2)Nc2c(cccc2OC)NC3=O)ccc1N 28710739 PCRYQTQRCKHSCM-UHFFFAOYSA-N 361.401 4.262 0 1 FIAF COc1ccc2c(c1)[C@]13CCN(C)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3 43063747 IGYSMXNFAHTQKV-DNQXCXABSA-N 358.485 4.091 0 1 FIAF COC(=O)Nc1cc2c(cc1OC)[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2 49014412 WBUWPVCZVHZLGO-WMGWYHAVSA-N 357.450 4.299 0 1 FIAF CCOC(=O)COc1ccc(-c2cccc(-c3csc(N)n3)c2)cc1 95563049 ZIGMTMOSCXCHLE-UHFFFAOYSA-N 354.431 4.001 0 1 FIAF CCc1ccccc1NC(=O)N1[C@@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 100445249 CYEITZUQXDFFOX-QZTJIDSGSA-N 371.525 4.329 0 1 FIAF CC(C)(C)OC(=O)NC[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccs1)CN32 100909330 LZUOWUYBFWNJBN-FPYWWQDQSA-N 360.523 4.139 0 1 FIAF CC1=C(c2nc(-c3ccccc3)cs2)[C@@H](c2cccc(O)c2)NC(=O)N1 145364428 YZTYBEBVYYSQPV-GOSISDBHSA-N 363.442 4.301 0 1 FIAF C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC2(CCC(O)CC2)OC1=O 169703344 RALZHIAZIOGKOW-MKQDKFQKSA-N 373.371 4.162 0 1 FIAF O=c1[nH]c(O)c(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)o1 169722742 DSUURXUCFONAQY-UHFFFAOYSA-N 352.173 4.363 0 1 FIAF C=C/C(C)=C\C[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](OC(C)=O)[C@@H](O)[C@@]1(C)O 257397902 COFSRJDBTTZNBZ-ABADDMPSSA-N 364.526 4.015 0 1 FIAF endogenous,in-man NC(=O)[C@H]1C[C@@H](c2ccccc2)Cc2c(-c3ccc(Cl)cc3)n[nH]c21 299866170 OOSHFYSJCPAETC-YOEHRIQHSA-N 351.837 4.029 0 1 FIAF Fc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586998820 PEANWTJOORKSSR-RJRFIUFISA-N 361.170 4.364 0 1 FIAF CCOC(=O)Cc1nc2cccc3c2c(c1C1CC1)-c1ccccc1C3=O 587105856 FTDOPSRJVNXQJJ-UHFFFAOYSA-N 357.409 4.429 0 1 FIAF COc1cncc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137672 FKDGOULKHLRRIM-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF C[C@@]1(CC2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360490 VPOUGJARUUPSDV-IRLDBZIGSA-N 370.420 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C(F)(F)F)cc1Cl)O2 587383704 VCLCUKYZDMLVLO-CYBMUJFWSA-N 356.731 4.351 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCNc3cc(OC)ccc31)CC2=O 587484828 NTJWHDGFZUWKRP-OAQYLSRUSA-N 353.418 4.030 0 1 FIAF O=C1C[C@H](c2ccc(N3CCOCC3)s2)Oc2c1ccc1c2CCCC1 587530611 GDOIAYYLXITBFZ-GOSISDBHSA-N 369.486 4.170 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCNc1ccccc12 587591108 BENPDBYBQZKOEK-NZQKXSOJSA-N 373.408 4.455 0 1 FIAF CCOc1ncccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587775375 ZNUOQTXQADVMDI-QFYYESIMSA-N 365.246 4.006 0 1 FIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587805443 FHQGQUDAPVXLEA-ADLMAVQZSA-N 364.258 4.395 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC(=O)C2CC2)N1 587815597 NXPXDZFCLZNHEE-QLJPJBMISA-N 354.263 4.313 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1noc2ccccc12 587870795 RNRPBCHXLXMRKM-UHFFFAOYSA-N 365.364 4.112 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@]1(CCC[C@@H]1c1ccccc1Cl)NCC2 962927608 WNSTXRQCDRERIY-XMSQKQJNSA-N 368.908 4.351 0 1 FIAF CCCC[C@]1(c2ccco2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957664 CFZXWKHUUZJDIG-FZKQIMNGSA-N 369.795 4.244 0 1 FIAF Cc1ccc([C@@]2(C(=O)c3ccccc3)NCCc3c(C)ccnc32)cc1C 963078126 WWDMQSNKKMRCKO-XMMPIXPASA-N 356.469 4.279 0 1 FIAF Cc1cccc(N(c2cc(Cl)nc(SCC(=O)O)n2)C(C)C)c1C 1857564325 RLSYUMYWJBGGGT-UHFFFAOYSA-N 365.886 4.470 0 1 FIAF CC(C)=CCc1cc(C=C2OC(=O)C(c3ccc(O)cc3)=C2O)ccc1O 2356386622 QCTHCQWZIGYTPK-UHFFFAOYSA-N 364.397 4.474 0 1 FIAF CC(C)C[C@@H](CSc1ccccc1)N1CCN(CC(C)C)CCC1=O 12474402 HFRYUMKLTMJXMI-IBGZPJMESA-N 362.583 4.384 0 3 FIAF CC[C@@H](C)CNC(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1 12507353 FCEXTFYRMHLXNQ-QGZVFWFLSA-N 360.542 4.352 0 3 FIAF CSc1nc(-c2ccccc2)nc(Nc2nc(C)cc(C)n2)c1C(C)=O 3647999 MEEPYVSTFWLZBM-UHFFFAOYSA-N 365.462 4.219 0 1 FIAF NS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CCC2)cc1 3814657 GHWDYDZKPBQMDU-UHFFFAOYSA-N 367.392 4.448 0 1 FIAF O=C1C[C@@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 12356164 GMDLSAWBJALPNC-KRWDZBQOSA-N 351.421 4.091 0 1 FIAF C[C@H](Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)C(C)(C)C)C(=O)O 26004686 KDOUMXCEFMNRDP-CQSZACIVSA-N 368.429 4.132 0 1 FIAF Oc1nc2c(Cl)cc3c(c2s1)[C@H]1c2ccccc2CC[C@@H]1NCC3 28114942 GXETVJZFDXWSHT-HOCLYGCPSA-N 356.878 4.248 0 1 FIAF CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Nc1ccccc1 40876375 YYUMTRLFQJXVKE-AEFFLSMTSA-N 357.504 4.167 0 1 FIAF O=c1oc2ccccc2n1CC1CCN(Cc2ccc(Cl)cc2)CC1 40897567 KIPLTTQDXSOXRU-UHFFFAOYSA-N 356.853 4.160 0 1 FIAF COc1cccc(CN2CCC(N[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)c1 40899299 UYZOQSDBCHBTSN-AAIMPIBUSA-N 356.554 4.464 0 1 FIAF COc1ccc([C@H](O)CN[C@H](C)CCc2ccccc2)cc1C(F)(F)F 45226743 WEPWGSSSKNZVNI-RDTXWAMCSA-N 367.411 4.358 0 1 FIAF CN(C)CC[S@](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 66075717 FYIWAHGCHKFPFG-JOCHJYFZSA-N 356.318 4.393 0 1 FIAF OCc1cc(-c2ccc(Cl)cc2)nn1C[C@H](O)c1ccc(Cl)cc1 66252038 PAXJAGQRVCVAMH-SFHVURJKSA-N 363.244 4.083 0 1 FIAF O=C(O)[C@@H]1CCCN(CC/C=C(/c2ccccc2)c2ccccc2F)C1 66252491 YJBWTVCFPQFCJM-GEBKJHSDSA-N 353.437 4.444 0 1 FIAF COCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 82165356 ZPXUYRGYYLMNBR-UHFFFAOYSA-N 366.446 4.462 0 1 FIAF COc1cc2cncc(Cc3ccc4cccc(OC)c4n3)c2cc1OC 145117796 YZTHXLAMXKPEOV-UHFFFAOYSA-N 360.413 4.400 0 1 FIAF CC(C)Nc1cccc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1 145430759 OLWSXGZFLPJRBT-UHFFFAOYSA-N 350.451 4.151 0 1 FIAF O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 148469248 QRGHOJYGIWMDTR-UHFFFAOYSA-N 358.772 4.486 0 1 FIAF CC(=O)OC/C=C(/C)CC[C@@H]1C(C)=CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@@]2(C)CO 263638774 WZZRZMFFZNXNGP-UYSYXULFSA-N 364.526 4.018 0 1 FIAF Cc1ccc(-c2csc(NC(=O)CN3C=CC(=CN=O)C=C3)n2)cc1 473087673 LOORPFCOFWORAX-UHFFFAOYSA-N 352.419 4.050 0 1 FIAF COc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1C 587007171 NCKXAFJQRHXROF-UHFFFAOYSA-N 357.211 4.186 0 1 FIAF CC(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587041768 FBARYCCJAALWDJ-MRXNPFEDSA-N 371.849 4.074 0 1 FIAF COc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)cc(Cl)c1O 587046627 YRYZSNHNNDDHDN-UHFFFAOYSA-N 371.593 4.499 0 1 FIAF Fc1cc2[nH]c(Cc3ccccc3C(F)(F)F)nc2cc1-n1cccn1 587107172 PLXJBDYIUCFJOI-UHFFFAOYSA-N 360.314 4.497 0 1 FIAF O=C(O)[C@@]1(c2cccc(Cl)c2)CCc2nc3cccc4c3c(c2C1)CC4 587209341 NVDUAMVEAIJPPB-QFIPXVFZSA-N 363.844 4.498 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)C1CCCC1 587224847 HUMHDLLMHYYIKF-CQSZACIVSA-N 359.426 4.017 0 1 FIAF C[C@]1(CC2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360628 VPOUGJARUUPSDV-RBBKRZOGSA-N 370.420 4.466 0 1 FIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cc(C)ccc1C)[C@@H](C2)C3=O 587429581 PZJGJWRMKJPRKS-BVVUSLJFSA-N 363.457 4.030 0 1 FIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587504814 KFVAHGYZDDXORO-YIFZBPKDSA-N 374.452 4.361 0 1 FIAF O=C1C[C@]2(CCN(c3ccccc3)C(=O)C2)Oc2c1ccc1c2CCCC1 587515571 VENREOIQRDAMKC-QHCPKHFHSA-N 361.441 4.096 0 1 FIAF CCOC(=O)C[C@@]1(c2ccc(C)o2)CC(=O)c2ccc3c(c2O1)CCCC3 587534842 ZUOYGLZNDBPRLG-JOCHJYFZSA-N 368.429 4.281 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(F)cc32)N1 587729122 GGMKCPSXWFXODC-MGNBDDOMSA-N 364.233 4.451 0 1 FIAF Cc1cccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc12 587776363 WYZFZGTZISSPOT-PIGZYNQJSA-N 374.257 4.168 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(O)ccc32)N1 587834693 SVWYTESFNGFOMG-MLCYQJTMSA-N 362.242 4.018 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1ccccc1O 587871053 YAWQXRSNDXCRSC-UHFFFAOYSA-N 354.381 4.067 0 1 FIAF COc1cccc(C(=O)c2ccc(-c3nc4cc(OC)ccc4[nH]3)cc2)c1 587930415 BLYBYMHSLWKRKX-UHFFFAOYSA-N 358.397 4.478 0 1 FIAF O=C(O)C/C=C(/NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 957626652 GHVKPBNZFIVUMH-AWNIVKPZSA-N 371.746 4.186 0 1 FIAF COc1ccc2c(c1)[C@](C)(c1cc3cnccc3nc1C)N(C(C)C)CC2 962092227 NAWFCARASMZKON-QHCPKHFHSA-N 361.489 4.477 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1cccc2c1CCC21OCCO1 963114483 UDTZPOKHBGNLCJ-JTSKRJEESA-N 365.448 4.081 0 1 FIAF Oc1ccc2c(c1)[C@](c1cccc(C(F)(F)F)c1)(C(F)(F)F)NCC2 963353540 SDKWFGWBJCZPCI-OAHLLOKOSA-N 361.285 4.363 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CC(C)(C)Oc2ccccc21 963608424 LEKNSGNZRKAJMU-PEBXRYMYSA-N 353.462 4.043 0 1 FIAF CNc1n[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12 1772580000 CUQBBHUITNFLKO-KRWDZBQOSA-N 354.841 4.235 0 1 FIAF Cc1cc(-c2ccoc2)cc([C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1 1772609839 DKUQJFPELDXTEG-OAHLLOKOSA-N 364.449 4.126 0 1 FIAF Nc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 1772640227 FHKJAXJVJDBGCI-UHFFFAOYSA-N 374.244 4.418 0 1 FIAF Cc1cccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc23)c1 1857584104 FIVIBRJWVHZGDC-UHFFFAOYSA-N 368.440 4.377 0 1 FIAF Cc1[nH]c(C(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)c(Cl)c1Cl 2382224684 OKXUTGCKRRIHII-UHFFFAOYSA-N 352.177 4.062 0 1 FIAF CN(C)c1cccc(/C=C2\C[C@@]3(OC(=O)C4CCCC4)CCCN2C3)c1 96018842 YTCMJMIDFLDGGL-FGGAIWKESA-N 354.494 4.065 0 3 FIAF CCOC(=O)CC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13518470 OOWCVFOBFTUQHL-ZLOUPJAZSA-N 372.505 4.179 0 1 FIAF COc1c(O)cc([C@H]2CC(=O)c3ccc(O)cc3O2)cc1CC=C(C)C 14819252 NGSGHHXJBXTNFJ-LJQANCHMSA-N 354.402 4.322 0 1 FIAF biogenic Cc1ccccc1OC[C@H](O)CNC(C)(C)Cc1c(C)[nH]c2ccccc12 26731295 CVNLBBDIJYLRGD-GOSISDBHSA-N 366.505 4.135 0 1 FIAF O=C1Nc2ccccc2C(c2ccccc2F)=N[C@@H]1Cc1ccsc1 28241561 JFUAXQQSIMTDOD-GOSISDBHSA-N 350.418 4.288 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)C[C@@H]2CC[C@H]1N2C 28567891 VMRNKEYMTOGQHV-DOIPELPJSA-N 353.437 4.232 0 1 FIAF CCCCCCC(=O)OC[C@@]1(CO)C/C(=C/[C@@H](CC)CCCC)C(=O)O1 40914984 YFGRZJGPRQXMTL-VEDPZOSTSA-N 368.514 4.321 0 1 FIAF Cc1ccc(NC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 45245822 DJYJCKVCJJUUPK-UHFFFAOYSA-N 370.412 4.148 0 1 FIAF Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1-c1cccc(NCCN)c1 71332636 KDEXEJWVRCBCEZ-UYRXBGFRSA-N 372.472 4.162 0 1 FIAF CC(C)CNc1ncnc2c1nc(CC(C)(C)C)n2CCc1ccccn1 82178194 OZKZXSQPBPGKNS-UHFFFAOYSA-N 366.513 4.121 0 1 FIAF Cc1ccc(/C(=C2/C(=O)Nc3ccc(N)cc32)c2nc3ccccc3[nH]2)cc1 84740712 XEXXZNRVWFKESS-MRCUWXFGSA-N 366.424 4.365 0 1 FIAF COc1cccc(-n2c(COc3ccccc3)nnc2SC(C)C)c1 95593341 RRGPLRSGMNKOCI-UHFFFAOYSA-N 355.463 4.355 0 1 FIAF COc1cccc([C@@H](c2ccncc2)c2cc3c4c(c2)CCN4C(=O)CC3)c1 95593366 PQMAAJJDEGAAEZ-HSZRJFAPSA-N 370.452 4.106 0 1 FIAF CCNC(=S)N1N=C(c2ccccn2)C[C@H]1c1cccc2ccccc12 103191359 CJXVQCHMFCTJCH-FQEVSTJZSA-N 360.486 4.280 0 1 FIAF CC(C)N1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)[C@H]2CCCC[C@H]21 143730693 NDPDRNAYXPWNKG-RTWAWAEBSA-N 359.473 4.443 0 1 FIAF COc1cccc(F)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc2ccccc2n1 167143918 PQPRPIGDFBVOQJ-KUHUBIRLSA-N 364.420 4.492 0 1 FIAF CCCC[C@H](O)CSC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253685136 HUOIPUKSNAXOPY-VYUXQROOSA-N 370.555 4.266 0 1 FIAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC[C@@]5(O)C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@@]32CN1C 255222529 KFVZDOJVWHIDNK-PFVLPHLJSA-N 374.613 4.004 0 1 FIAF CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3cccc(F)c23)CC1 299832471 MDPUMCWVEZYXNQ-UHFFFAOYSA-N 371.500 4.138 0 1 FIAF Fc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1F 587116165 QPSUETJHPNFITA-UHFFFAOYSA-N 350.250 4.470 0 1 FIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc5ncccc5c4[nH]3)cc2N1 587125730 SSIYNAUSQPMPTA-YMTOWFKASA-N 372.354 4.282 0 1 FIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3c(Br)ccnc3[nH]2)c1F 587149768 AZHJJOVUKUTDKP-IUCAKERBSA-N 350.166 4.270 0 1 FIAF O=C(Nc1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1)c1ccc(F)cc1 587162822 JWLNGHSQVGUVFI-UHFFFAOYSA-N 367.771 4.065 0 1 FIAF CC(C)Oc1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587173724 HZQDNYUNTQXTIH-HXUWFJFHSA-N 354.381 4.118 0 1 FIAF Fc1ccc2[nH]c(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c(Cl)c2c1 587174886 NLSNUNRDSHHWCW-UHFFFAOYSA-N 355.682 4.264 0 1 FIAF COc1ccc(NC(C)(C)c2nc3c(Br)ccnc3[nH]2)cc1 587201619 UKZIKHZQVVJSAF-UHFFFAOYSA-N 361.243 4.076 0 1 FIAF CC(=O)N[C@H](Cc1nc2ccc(OC(C)C)cc2[nH]1)c1ccc(C)cc1 587216607 HCYUKRFULXRKOJ-LJQANCHMSA-N 351.450 4.078 0 1 FIAF Cc1ccc(C(=O)CCc2nc3cccc4c3c(c2CC(=O)O)CC4)s1 587359018 GHXGELIZIOIFLZ-UHFFFAOYSA-N 365.454 4.146 0 1 FIAF COc1cccc(-c2cc(CC(=O)N(C)C)nc3c2oc2ccccc23)c1 587360223 MGVUAOHFQNAOSH-UHFFFAOYSA-N 360.413 4.287 0 1 FIAF CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587398641 FVWMFEFMRREUFJ-WEBUEUPWSA-N 373.493 4.307 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccn(Cc3ccccc3)n1)CC2=O 587475009 JTDKCRKWKRYULB-OAQYLSRUSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(O)cc1)CC2=O 587482807 JNIUEZDKZYQIBL-IBGZPJMESA-N 364.401 4.147 0 1 FIAF O=C1C[C@]2(CCN(c3ccc(F)cc3)C2)Oc2c1ccc1c2CCCC1 587506579 KTQZULNGUSKCND-QFIPXVFZSA-N 351.421 4.319 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(O)cc2F)N1 587720160 MTTKBFGUPSQMTO-GYKQLYQFSA-N 372.184 4.196 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc(COC/C=C/c3ccccc3)nc1-2 587780501 ATFQVIJQCWJHJU-QPJJXVBHSA-N 368.746 4.207 0 1 FIAF CC(=O)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587822885 NCFREZFNUXRPPA-SVKFGRERSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(O)cccc32)N1 587830983 GPYPNFIWWHXJOY-MLCYQJTMSA-N 362.242 4.018 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)C[C@]3(C)O[C@@H]32)N1 587837608 JDKODYWVLSHIBY-PLDWSREQSA-N 368.290 4.295 0 1 FIAF CCOC(=O)c1cccc(N=c2nc(-c3ccncc3)[nH]c3ccccc23)c1 653702260 HKNZMAXRYXBQMB-UHFFFAOYSA-N 370.412 4.034 0 1 FIAF O=C(NC(=O)c1ccccc1F)N[C@H]1c2ccccc2-c2cc(F)ccc21 653793032 YQKPYPIZRFNFEU-IBGZPJMESA-N 364.351 4.174 0 1 FIAF Cc1ccc(-n2cnnc2COc2c3occc3cc3ccc(=O)oc23)cc1 1772619509 PTAMDVCKHKBOJQ-UHFFFAOYSA-N 373.368 4.007 0 1 FIAF CCN(CC)c1ccc(NC(=O)c2c(C)noc2-c2cc(C)on2)cc1 1857579504 LBVBDIMQVPUCLN-UHFFFAOYSA-N 354.410 4.045 0 1 FIAF COc1cc(CNc2ccccc2C(=N)N)ccc1OCc1ccccc1 1857617241 HPCGMPHCPZBRIQ-UHFFFAOYSA-N 361.445 4.170 0 1 FIAF Cc1oc2c(c1C)[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](CC[C@](C)(O)[C@@H]1C)C2=O 2356556659 JSUOPHWQXCMPKR-QAJIRISXSA-N 362.466 4.136 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1C(C)(C)[C@H](O)CC[C@@]12C 2356599643 HKWVZPQQUZNBOF-QANQIFJLSA-N 350.499 4.011 0 1 FIAF COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OC 66128733 MOVNVAXSFDNDNS-UHFFFAOYSA-N 372.808 4.004 0 1 FIAF CC(C)=CCc1ccc([C@H]2C[C@@H](Cc3ccc(O)cc3)OC2=O)cc1O 2356612223 YOBDVZGDIRRERU-WOJBJXKFSA-N 352.430 4.248 0 1 FIAF CC1=C[C@]2(C=C(C)[C@@H]3CC[C@]4(C)Oc5cc(C)c(O)cc5[C@H]2[C@@H]34)OC1=O 2356801743 RRPHRPAMBSVQRA-RUYPWGIZSA-N 352.430 4.163 0 1 FIAF CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc(F)cc2)n1 82139435 ALBRFTJIVOEFKX-KSSFIOAISA-N 370.472 4.047 0 1 FIAF O=C(NCC1CCCCC1)c1cnc(NCC2CC2)nc1-c1ccccc1 82132361 IDPHZQMTQFSNIG-UHFFFAOYSA-N 364.493 4.276 0 1 FIAF Cc1c(OCCCCN(C)C)ccc2c(=O)cc(-c3ccccc3)oc12 96271251 JKJRTNOOSNWMJV-UHFFFAOYSA-N 351.446 4.489 0 1 FIAF Nc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1 143028970 PSTHQEKRNOGKMV-UHFFFAOYSA-N 352.401 4.499 0 1 FIAF CCc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)C(C(=O)O)C(=O)O)cc1 95577415 QGPSHGKDTUMNAB-MRXNPFEDSA-N 374.820 4.044 0 1 FIAF CCn1cc(C(=O)O)c2cc(-c3nc(CN4CCCC4)cs3)ccc21 2382237397 WVRDRGXHBBJXKK-UHFFFAOYSA-N 355.463 4.079 0 1 FIAF COc1cc(-c2nn[nH]c2-c2cc3ccccc3s2)cc(OC)c1OC 653771309 BRLUAAQOZJIAFC-UHFFFAOYSA-N 367.430 4.379 0 1 FIAF CCO[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 587813979 XAKTYNLFXVOAOT-YRILPIOLSA-N 368.290 4.297 0 1 FIAF Clc1ccnc2[nH]c(CCNc3ccc(Br)cc3)nc12 586995786 OVJIYKIUJIKUQH-UHFFFAOYSA-N 351.635 4.028 0 1 FIAF FC(F)(F)Sc1ccc2nc(Cc3csc4nccn34)[nH]c2c1 587040764 PVFXBFBSTFXZNF-UHFFFAOYSA-N 354.382 4.475 0 1 FIAF Cc1cccc([C@@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c1 587402821 AAGJMDAGLWPKHT-OAQYLSRUSA-N 353.418 4.001 0 1 FIAF CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587398637 FVWMFEFMRREUFJ-KHJUTWJGSA-N 373.493 4.307 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CN2CCCC2)N1 587765942 LGAGIVYUIRWVNY-SJKOYZFVSA-N 369.322 4.286 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccccc4)o1)[C@@H](C2)C3=O 587456496 WDAURMTZUIOODJ-HTAPYJJXSA-N 362.381 4.356 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN(C)C 587506185 ODLLZWDFXZQSAJ-QFIPXVFZSA-N 365.473 4.342 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2N)N1 587693831 FTKHWNHVEWCSRH-PWJLMRLQSA-N 369.665 4.447 0 1 FIAF CCC(C)(C)c1ccc(OCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587565453 IPTLWEOFKFONMY-UHFFFAOYSA-N 372.490 4.233 0 1 FIAF COc1cc(OC)c2[nH]c([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc2c1 587197798 OPVGAXOMJHGBMD-MRXNPFEDSA-N 363.458 4.144 0 1 FIAF CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2c(C)cc(Cl)cc12 587625042 YWRIOJMRZIXPIL-UHFFFAOYSA-N 366.845 4.331 0 1 FIAF C[C@@H](Sc1ncccn1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586963507 KZGUYVLAFVLMIJ-LLVKDONJSA-N 362.462 4.038 0 1 FIAF COc1cc(O)cc(-c2cccc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)c1 587933238 VRSOPAZWPGFDAN-UHFFFAOYSA-N 360.369 4.309 0 1 FIAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)c(Cl)nc2[nH]1 587785968 FNTXEOBTOHNPFP-UHFFFAOYSA-N 364.232 4.397 0 1 FIAF COc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)CC4)cc1F 587210100 FATDZDXQOXZLPM-UHFFFAOYSA-N 351.377 4.165 0 1 FIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O 587823730 VYOWOCDONLDIPB-BBATYDOGSA-N 364.258 4.400 0 1 FIAF CC[C@H](Oc1ccccc1F)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587156803 ZFMZNCMHUPFFFN-HNNXBMFYSA-N 358.369 4.027 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c(F)c(F)c(F)c(F)c1F 963603268 CBTNQOLZLDIRLS-LWESTGQBSA-N 373.321 4.023 0 1 FIAF COC(=O)C[C@@]1(c2ccc(Cl)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963108459 PAXMYXONMAQGFV-LAUBAEHRSA-N 373.855 4.306 0 1 FIAF O=C(O)c1ccnc(-c2ncn(CC3CC3)c2-c2ccc(Cl)cc2)c1 225939276 QZSXNGRUEXSCKN-UHFFFAOYSA-N 353.809 4.374 0 1 FIAF O=C(NCC1CC1)[C@]1(C(F)(F)F)C[C@@H](CCc2ccccc2)CCCO1 13829056 YWDHRKWQVZZSFH-APWZRJJASA-N 369.427 4.263 0 3 FIAF COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C(=O)C(C)C)C2 15066921 YOMWDIKUZVYZES-UHFFFAOYSA-N 359.853 4.393 0 1 FIAF Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccc(C(=O)O)cc1 147298737 HWZPSOQGRVLYPP-UHFFFAOYSA-N 355.397 4.262 0 1 FIAF Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](c1ccco1)SC(=N)N2 6483934 BRZOIVJIGIWCRE-AWEZNQCLSA-N 372.837 4.309 0 1 FIAF Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CCC2CC=CC2)c1 6521917 VNWOUIQFGDOWQK-UHFFFAOYSA-N 368.477 4.425 0 1 FIAF c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1cncs1)c1cncs1 100729156 KZMYFKPKBGNIGS-YLJYHZDGSA-N 374.514 4.312 0 1 FIAF c1ccc(Nc2nc(NCc3cccnc3)nc(Nc3ccccc3)n2)cc1 117541829 URJOTSJQSMYGAW-UHFFFAOYSA-N 369.432 4.366 0 1 FIAF COc1c(C=CC(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)O 2356694803 JFQIIRFVRBOGJG-UHFFFAOYSA-N 372.417 4.361 0 1 FIAF COc1cc(C)c(CC/C(C)=C/Cc2cc(O)ccc2O)c(C)c1CO 34095193 DTZFUCOWUPHKLW-LHHJGKSTSA-N 356.462 4.337 0 1 FIAF C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36153221 GQECVTUOELTXTC-LKGHQYIFSA-N 359.510 4.312 0 1 FIAF c1cc(Oc2cncc(NC3CCCCCC3)n2)cc(N2CCOCC2)c1 82068580 DRJBJHDZSXSFPV-UHFFFAOYSA-N 368.481 4.240 0 1 FIAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)OC)CN(C)[C@@H]1C2 40374306 BOMVRTMBCWESTQ-ZAAXVRCTSA-N 354.494 4.135 0 1 FIAF CN1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@]1(C)c1ccc(O)cc1 95576485 BAOQQJCFACCUKU-KRWDZBQOSA-N 365.216 4.013 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O 34332067 ODYKCPYPRCJXLY-KOORYGTMSA-N 356.506 4.196 0 1 FIAF biogenic N=c1nc(-c2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2)cc[nH]1 2382226222 BQSLWABNIXXXIH-UHFFFAOYSA-N 359.216 4.115 0 1 FIAF CC(C)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 587792282 HRPWWRPTEWWHJW-FVMDXXJSSA-N 352.251 4.058 0 1 FIAF CC(C)C(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599940 JEIDFPDQGQUPGC-NQIIRXRSSA-N 354.402 4.118 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(O)c2F)N1 587723307 WQHZAPSXLVBHKO-ZIDLFYJRSA-N 372.184 4.196 0 1 FIAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 586908666 SVTVURWAGUQSIR-QMMMGPOBSA-N 363.186 4.045 0 1 FIAF CCOc1ccccc1OCc1nc2ccc(Br)c(F)c2[nH]1 587780209 OCWKQLNSDNFWEY-UHFFFAOYSA-N 365.202 4.442 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCNc1ccccc12 587595854 PBVAVRXYNGRQNT-UGKGYDQZSA-N 359.381 4.065 0 1 FIAF C[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604279 RYQSMMOXTGIFNW-IJIZOXLDSA-N 358.393 4.442 0 1 FIAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(N)ncnc2[nH]1 586981781 DWSSEGARSVRAQX-LBPRGKRZSA-N 374.286 4.070 0 1 FIAF C[C@@]1([C@H]2COc3ccccc3O2)CC(=O)c2ccc3c(c2O1)CCCC3 587536937 YYVGUSZFDVFTCG-IRLDBZIGSA-N 350.414 4.129 0 1 FIAF CC(C)(C)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586414 CEFUSNJXNJNLPA-LPHOPBHVSA-N 364.401 4.116 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(C2CC2)n1 587615084 VKFMEZUAEJTFEP-VQIMIIECSA-N 365.410 4.429 0 1 FIAF CC[C@]1([C@H](C)CN(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337379 OCFHENLSDVJGKM-JEWAVWJGSA-N 371.452 4.237 0 1 FIAF N[C@@H](N=O)c1ccc(NC(=O)OC2c3ccccc3-c3ccccc32)cn1 957756747 MJRMTFISJVHBMP-IBGZPJMESA-N 360.373 4.124 0 1 FIAF C[C@H]1Nc2ccccc2C(=O)[C@@]12NCCc1cccc(-c3ccccc3)c12 962660233 HQLKFSAXBRFTQK-VOIUYBSRSA-N 354.453 4.392 0 1 FIAF CCC[C@@H](C)[C@@]1(CC)NCC2(CCOCC2)c2cc(OC)c(OC)cc21 963196362 WUGMNQJVIUEQJX-OPAMFIHVSA-N 361.526 4.397 0 1 FIAF Nc1nccc(-c2c[nH]c3ncc(-c4ccc(OC(F)(F)F)cc4)cc23)n1 1772590853 WRJVXZDHOXZXQE-UHFFFAOYSA-N 371.322 4.168 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4Nc5oncc5C[C@]4(C)[C@H]3CC[C@]12C 5711883 HPKLKMDASAMZLY-CSMRHZIVSA-N 358.482 4.186 0 1 FIAF O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1)c1ccc(F)cc1 12481231 VOOMTGMTOGFBQE-SEJPIABJSA-N 370.443 4.280 0 3 FIAF O=C(COc1ccc(Cl)cc1C(=O)c1ccccc1)NC1CCCCC1 13741307 MECODBKMJRSCBQ-UHFFFAOYSA-N 371.864 4.399 0 1 FIAF CCN(CC)CCCOc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC2 169308758 UAMAHHQLNBZWGX-UHFFFAOYSA-N 366.505 4.277 0 1 FIAF Cc1ccc([C@@H]2c3c(n[nH]c3C)Oc3nc4c(c(N)c32)CCCC4)c(C)c1 1857750676 BPWNIPZCXDIMFG-GOSISDBHSA-N 360.461 4.477 0 1 FIAF CCOC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)CS2 3028802 XRLUKSZSNZRAFO-UHFFFAOYSA-N 355.459 4.119 0 1 FIAF C[C@H]1CC[C@@H]2[C@@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]12CC[C@@](C)(CO)O2 4143442 UJHGQFKKYLHYKM-AGWJZRFGSA-N 366.542 4.291 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccsc1 4153221 UTSSYCQZRJYRIV-MJGOQNOKSA-N 372.490 4.155 0 1 FIAF O=c1[nH]c([C@@H]2CC[C@H](N3CCC(c4ccccc4)CC3)C2)nc2ccccc12 28898952 LJIFLONRFXAXBZ-UXHICEINSA-N 373.500 4.439 0 1 FIAF Clc1ccccc1CN1CCc2nc(Nc3ccccc3)ncc2C1 21039130 DRWWIVHWYTUUNP-UHFFFAOYSA-N 350.853 4.432 0 1 FIAF Cn1ccc(C(=O)N[C@@H]2[C@@H](C/C=C/CCCC(=O)O)C[C@H]3C[C@@H]2C3(C)C)c1 26495310 VALMDZIXRUEHLT-VGWCBABISA-N 372.509 4.007 0 1 FIAF CN1CCN(CCS[C@H]2Cc3ccccc3Oc3ccccc32)CC1 27557845 HLOMVZJSKLNCLT-NRFANRHFSA-N 354.519 4.057 0 1 FIAF O=C(NCc1cccs1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61904388 KSCJWCAVXWOKOL-KRWDZBQOSA-N 370.861 4.083 0 3 FIAF NCC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1 28878431 XMPZUZYWPNRLHG-UHFFFAOYSA-N 353.897 4.314 0 1 FIAF CCCCC[C@@H](O)[C@H](/C=C/[C@H](O)CCCCCCCC(=O)O)OCC 33820380 IEEBTNFNSJRPDT-KLICOSGESA-N 358.519 4.065 0 1 FIAF COc1cc2ccnc(Cc3ccc(OC)c(OCCF)c3)c2cc1OC 72105181 FYXDFZSFMXTSBF-UHFFFAOYSA-N 371.408 4.200 0 1 FIAF Cc1cc(-c2cc(C)c([C@H]3CCCN3C(=O)c3cncs3)cn2)ccn1 72176952 UNOLYCWUAKOIGH-GOSISDBHSA-N 364.474 4.194 0 1 FIAF Cc1cccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2ncc(C)o2)c1 82173175 PVUZDVUHVFXIRC-INIZCTEOSA-N 350.422 4.006 0 1 FIAF FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12 139673163 XSTYTCVYQMTNKF-UHFFFAOYSA-N 373.366 4.480 0 1 FIAF COc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)cc1 43129039 UBCZYKUPGHNRGW-UHFFFAOYSA-N 366.808 4.044 0 1 FIAF Clc1cnc2nc1NCCc1cccc(c1)OCc1cccc(c1)N2 142437269 BBVOVZFYMUEXGT-UHFFFAOYSA-N 352.825 4.421 0 1 FIAF Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ncccc2F)s1 142587490 JSCYXVQMMABPHZ-UHFFFAOYSA-N 368.393 4.195 0 1 FIAF Clc1ccc(C2(c3nnc4c(OC5CCOCC5)cccn34)CC2)cc1 299835916 ZTWRRZZEACRUHL-UHFFFAOYSA-N 369.852 4.020 0 1 FIAF CCOc1ccc2nc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc2c1 587435603 HLOFEGOVGTVCNV-OPAMFIHVSA-N 361.397 4.131 0 1 FIAF CC(=O)Oc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525192 QQILPQGPSMEPMN-JOCHJYFZSA-N 350.414 4.371 0 1 FIAF COc1cccc(C(=O)c2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2)c1 587931961 PTTCMRYFYKXVDR-UHFFFAOYSA-N 372.380 4.198 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)s1 587871721 ALSQVMABZAMTGW-UHFFFAOYSA-N 350.802 4.491 0 1 FIAF Cc1nc2[nH]c(/C=C\c3ccc(F)cc3F)nc2cc1Br 587148371 INNZGONORYQIHV-HYXAFXHYSA-N 350.166 4.477 0 1 FIAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)nccc3[nH]2)n1 587080342 OZXODVDKWYICKI-ZETCQYMHSA-N 354.639 4.208 0 1 FIAF N[C@@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1ccccc1Cl 587055266 AATNNIKFZSNZTJ-LBPRGKRZSA-N 368.637 4.360 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(C)c(CCC(=O)O)c1C)CC2=O 587481612 GYNXOQBGQZOGRI-GOSISDBHSA-N 371.433 4.013 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(=O)OC(C)(C)C)cc1)O2 587398044 AFXDXFUXFSZFQR-JOCHJYFZSA-N 367.445 4.413 0 1 FIAF Cc1cccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n[nH]c12 587792270 HQEVFVHCHWSBHT-DYZYQPBXSA-N 374.257 4.397 0 1 FIAF Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629537 ATVBYGJZZCXPQF-UHFFFAOYSA-N 359.710 4.252 0 1 FIAF COC(=O)C[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587099315 YSODJNJFEMVRLS-ZDUSSCGKSA-N 357.409 4.348 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)c1ccccc1 587870258 ZLPKXOOROJZBOR-UHFFFAOYSA-N 363.364 4.196 0 1 FIAF Cc1ccc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1C(F)(F)F 587095294 CHHPPHCTVRGBMN-UHFFFAOYSA-N 352.287 4.318 0 1 FIAF CCOC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccccc1Cl 587637593 DELVEXUORKKFTA-UHFFFAOYSA-N 357.793 4.292 0 1 FIAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587528078 ZCZGOPLAKWWJPL-JOCHJYFZSA-N 352.430 4.463 0 1 FIAF COc1ccc([C@@H](C)[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400741 SQLWAWGWPJKRRI-LRTDBIEQSA-N 355.434 4.122 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)CCCN3C)CC2=O 587473744 BVTFHQVQMLDZHV-NRFANRHFSA-N 351.446 4.434 0 1 FIAF CO[C@](C)(C1CC1)[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962634226 HYQCINJFECFEEX-QPTUXGOLSA-N 362.517 4.290 0 1 FIAF CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)c(C)c3)ncc12 1772606474 INJAURQSFSPVMK-LLVKDONJSA-N 372.860 4.234 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 1772587516 UPYNCGPVBFPDTB-VBKZILBWSA-N 358.869 4.195 0 1 FIAF Cc1cc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2cc1C 13801496 BJKMTOFILVOJKU-UHFFFAOYSA-N 370.500 4.427 0 1 FIAF COc1cc(C)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O 14977044 FUAUMTGROOJWPA-KRWDZBQOSA-N 370.445 4.356 0 1 FIAF CO[C@@H]1Cc2sc(CN=O)cc2C2(CCN(Cc3ccccc3)CC2)O1 169728014 IEXZPMROZJAORO-IBGZPJMESA-N 372.490 4.051 0 1 FIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc2[nH]ccc2c1 167056147 QIHVDBLYIYTUQQ-KDOFPFPSSA-N 364.445 4.295 0 1 FIAF COc1nc(NCc2cccc(C(F)(F)F)c2)c2ncn(C(C)C)c2n1 1857546075 YQDYUUKBAOZFDH-UHFFFAOYSA-N 365.359 4.047 0 1 FIAF CCN(CC)CCN=c1[nH]c(/C=C/c2ccc(F)cc2)nc2ccccc12 1857617997 DMEPMDATXKQGDI-SDNWHVSQSA-N 364.468 4.115 0 1 FIAF C=Cc1ccc(Cn2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)cc1 8605761 OKMWOIZJMYPFTI-UHFFFAOYSA-N 355.441 4.495 0 1 FIAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)NCCO 13475535 MRNMGNVOYBTKOE-UHGFVZJOSA-N 363.542 4.211 0 1 FIAF CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 26248033 VAIVCBYGAFHCOZ-SZPZYZBQSA-N 360.501 4.495 0 1 FIAF CCCCC[C@@H](O)/C=C/C=C/C/C=C\C/C=C\CCCC(=O)NCCO 27638877 XZQKRCUYLKDPEK-WPEONVAZSA-N 363.542 4.211 0 1 FIAF CC1(C)N(O[C@H]2CCCCO2)[C@@H](c2ccccc2)C(c2ccccc2)=[N+]1[O-] 31872057 GAMOJAJDLUVODK-FPOVZHCZSA-N 366.461 4.237 0 1 FIAF C[C@H](C(=O)[C@@H](C)C(=O)N1CCCC1)c1cccc(Oc2ccccc2)c1 36440511 UUPABTWOCOGHSN-DLBZAZTESA-N 351.446 4.410 0 1 FIAF COc1cc(/C=C/c2cc(CCc3ccc(O)c(OC)c3)on2)ccc1O 64417060 AFIDQTJSZPTWMP-XVNBXDOJSA-N 367.401 4.059 0 1 FIAF Clc1cccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)c1 73196410 HKQXGYSSFIQKQG-UHFFFAOYSA-N 360.822 4.454 0 1 FIAF CCOC(=O)c1c(O[C@H]2CCC[C@H](C)C2)cc(Cc2ccccc2)[nH]c1=O 95589831 OTMBEBSONSTDDC-YJBOKZPZSA-N 369.461 4.100 0 1 FIAF CCOC1(OCC)[C@@H]2c3cc(Cl)ccc3[C@H]([n+]3ccccc32)C1(C)C 100714929 FIOXJHIGIIFMOK-MOPGFXCFSA-N 358.889 4.471 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@@H](N)CC3)s2)o1 101270257 JFSGUSJACVSEKX-HAQNSBGRSA-N 366.556 4.403 0 1 FIAF CNC(=O)Oc1ccccc1OCCCOc1ccc(C(F)(F)F)cc1 103214392 NPWZTVWKWZHDCV-UHFFFAOYSA-N 369.339 4.272 0 1 FIAF Cc1cc(C)c(CNC(=O)c2ccc([C@@H](C)c3ccccc3)cc2)c(O)n1 147027619 KPGCNDYXBLQTHL-KRWDZBQOSA-N 360.457 4.486 0 1 FIAF O=S1(=O)Nc2c(ccc3ccc(Cl)nc23)-c2cc(Cl)ccc21 201622255 CXEFHFLKBAKEFA-UHFFFAOYSA-N 351.214 4.323 0 1 FIAF COc1cccc([C@H](C)Nc2cc(-c3ccc4c(c3)OCO4)nc(C)n2)c1 205341259 FNVKPHWUIGPLHZ-ZDUSSCGKSA-N 363.417 4.362 0 1 FIAF O=C(NC[C@@H]1CCN2CCC[C@H]1C2)c1ccccc1-c1cccc(Cl)c1 261150026 OQWMGAPGZMIOTJ-ROUUACIJSA-N 368.908 4.469 0 1 FIAF COc1cc(/C=C\c2nc3cccc(C(=O)O)c3[nH]2)ccc1Br 586978096 WUJNZMVUHKXBFF-VURMDHGXSA-N 373.206 4.203 0 1 FIAF c1ccc(COc2ccc3nc(Cc4csc5nccn45)[nH]c3c2)cc1 587040479 OKWBKCLJFZGDGO-UHFFFAOYSA-N 360.442 4.442 0 1 FIAF Cc1c(Cl)ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587085510 XDOMHQQHWUIZIA-UHFFFAOYSA-N 362.264 4.352 0 1 FIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2c(Br)ccnc2[nH]1 587150670 OHORLEWGGZUARW-SSDOTTSWSA-N 354.154 4.139 0 1 FIAF COc1cccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587167625 PDBMBEMIXRIQRT-HNNXBMFYSA-N 354.385 4.080 0 1 FIAF C[C@]1(c2ccc(F)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339690 SKBRXIKABJVHBB-TZIWHRDSSA-N 367.351 4.340 0 1 FIAF CC[C@]1(c2ccc(OCC(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587383008 QEZMNCITXHDTNC-HXUWFJFHSA-N 361.388 4.492 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OC(=O)N(C)C)CC2=O 587469890 PRYTZJLHGBVULX-IBGZPJMESA-N 369.417 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3c1ccc(OC)c3F)CC2=O 587471298 KVXVHDXXCYCMQY-OAQYLSRUSA-N 356.393 4.299 0 1 FIAF C[C@]1(c2c(F)ccc(F)c2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587507238 PJKOSWHPLJDHPG-OAQYLSRUSA-N 372.367 4.422 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2F)N1 587715526 CTWJYSBTXFHVDB-PWJLMRLQSA-N 356.185 4.490 0 1 FIAF CC(=O)C[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811837 HWGPVPYRRMWDDW-APPDUMDISA-N 356.279 4.343 0 1 FIAF CC(=O)C[C@@]1(C2(C)CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814288 GQAOHWRWCDQFFC-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF Cc1ncsc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587855285 UIYVATVRECOAGU-AYVTZFPOSA-N 355.276 4.151 0 1 FIAF COC(=O)c1ccnc2[nH]c(-c3cccc(-c4ccc(OC)cc4)c3)nc12 587934830 GACGJOVLZWRVMT-UHFFFAOYSA-N 359.385 4.087 0 1 FIAF CC(C)[C@H]1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O 618007426 HLXWYTBVKNZZLN-QGZVFWFLSA-N 367.449 4.374 0 1 FIAF COc1ccc2c(c1)[C@@](c1ccncc1)(c1ccc(O)cc1)N(C(C)C)CC2 962094040 VOBJZPOBRJCNTA-DEOSSOPVSA-N 374.484 4.354 0 1 FIAF CNc1ncc([C@]2(c3ccccc3)NCCc3cc(C)c(F)cc32)s1 962381401 YDSGFXPILZSGSF-HXUWFJFHSA-N 353.466 4.070 0 1 FIAF Cc1cc(Cl)c([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(Cl)c1 963026100 NHLWDSGBFXZDLY-JEOXALJRSA-N 361.272 4.445 0 1 FIAF Cc1cn(CCC(=O)O)c(C)c1[C@@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963100723 CKPMTMXFYZTDFJ-XMSQKQJNSA-N 370.468 4.003 0 1 FIAF COc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1C 2382230314 BFHXXWDONYYGJP-UHFFFAOYSA-N 353.418 4.487 0 1 FIAF COc1ccc(-c2csc(-c3cc(C(=N)N)sc3C)n2)cc1OC 13437893 LIWUUXYWSYYDIP-UHFFFAOYSA-N 359.476 4.148 0 1 FIAF CCCCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 13833874 DSHMDPQTDXKKIG-UHFFFAOYSA-N 368.433 4.456 0 1 FIAF COc1cc2c(cc1O)[C@]1(CC=C(C)C)COc3cc(O)ccc3[C@@H]1O2 14819583 WLDDYRDGRVNYEY-SFTDATJTSA-N 354.402 4.227 0 1 FIAF biogenic,in-vitro CCOC(=O)[C@H](Cc1csc(C)n1)Nc1nc2cc(C(C)C)ccc2o1 28012202 DQIKFGUXASBBNW-INIZCTEOSA-N 373.478 4.302 0 1 FIAF CCCN(CCC)c1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1 29041358 GAVACURIHQESLA-UHFFFAOYSA-N 350.466 4.371 0 1 FIAF O=C(CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13)c1ccccc1 32146726 RCYBMSQOSGJZLO-SFLYRZDNSA-N 361.485 4.334 0 1 FIAF c1ccc2c(c1)CC(CCN1CCC[C@H](c3ccnc(NC4CC4)n3)C1)C2 40898211 OTGGRKWIRVAPBH-FQEVSTJZSA-N 362.521 4.035 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@@H](O)C3)s2)o1 40953374 WOQQURWNFMADML-VXGBXAGGSA-N 367.540 4.436 0 1 FIAF Clc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 66251024 NJQJJWQZVOBHGI-UHFFFAOYSA-N 362.930 4.313 0 1 FIAF O[C@H](CNCCCc1ccccc1)COc1cccc2[nH]c3ccccc3c12 96939953 KMVVGSIPGAIMPL-LJQANCHMSA-N 374.484 4.283 0 1 FIAF COc1ccc(-c2cc(-c3c(OC)ccc4c(C)cc(=O)oc34)no2)cc1 98082420 YDADTXIXTPDUNA-UHFFFAOYSA-N 363.369 4.441 0 1 FIAF CN1C[C@@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@@H]2CCCC[C@@H]21 169291297 LRFSPZSJAZEPES-HBMCJLEFSA-N 357.881 4.425 0 1 FIAF COc1ccccc1N1C(=O)CS[C@H]1c1cccc(Br)c1 169342621 HJFNHWZGKTWNSJ-INIZCTEOSA-N 364.264 4.236 0 1 FIAF COc1cc2c(cc1O)[C@@H]1O[C@H](c3cc4c(c(OC)c3-2)OCO4)[C@H](C)[C@@H]1C 238784751 AEMHOASRMDNCLT-NMGJGFRUSA-N 370.401 4.203 0 1 FIAF COC(=O)[C@@]1(/C=C2\c3ccccc3[C@H](OC)[C@@H]2C)[C@@H]2c3ccccc3O[C@H]21 299811273 ASIWMRFKVKKMJP-TXOUAWCBSA-N 362.425 4.125 0 1 FIAF NC(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064723 NZCPSJPLAZXKGK-UHFFFAOYSA-N 367.792 4.154 0 1 FIAF COC(=O)c1cccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587068313 PXXJDGBFFYWSDK-UHFFFAOYSA-N 352.781 4.060 0 1 FIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc(F)c2[nH]1 587198362 HQIWJAZQIZAKBR-UHFFFAOYSA-N 360.392 4.228 0 1 FIAF COc1cc(OC)c2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1 587244591 QAADFBDJAVHHHS-UHFFFAOYSA-N 373.412 4.499 0 1 FIAF CC[C@@]1(C2=NCCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374705 PRJMIRMCZBCPBE-FXAWDEMLSA-N 371.433 4.184 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCCF)cc1)(C(C)C)O2 587383580 SZWMXPVYAZHKLD-NRFANRHFSA-N 357.425 4.442 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3cccn3)cc1)CC2=O 587475494 MJZYHAYIDBDKFQ-OAQYLSRUSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(C)C)c(CO)c1)CC2=O 587480639 FIDDXMFMMQVXBO-NRFANRHFSA-N 370.445 4.331 0 1 FIAF COC(=O)[C@H](C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522792 HSTUFZHXDNKUHU-WNSKOXEYSA-N 364.441 4.235 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Cl 587553724 VJPCTNAHQQNYIV-YJBOKZPZSA-N 353.761 4.144 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ncc1Cl 587570657 OXKMEJRGQDYWPA-APWZRJJASA-N 371.751 4.283 0 1 FIAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(C)c1C 587575574 FYCIUMKYQOXKNR-SIKLNZKXSA-N 363.413 4.359 0 1 FIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Br)cc1 587637093 UXLXZCNXCKVNGD-UHFFFAOYSA-N 358.191 4.168 0 1 FIAF COc1ccc(F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587735584 XYOLFGFFDUOHGJ-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N2CCCCC2)N1 587764353 DTMFOUUUMMMUAZ-YVEFUNNKSA-N 369.322 4.428 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccoc3c2)N1 587778545 MINYOLUWMXHVQE-XYZCENFISA-N 361.214 4.353 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3ccccc23)N1 587794275 LLBCJQKMDZAPBS-XYZCENFISA-N 360.230 4.088 0 1 FIAF CCOC1=C[C@]2(CCC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587802680 TWCAPGBNMPIYIB-DIFFPNOSSA-N 354.263 4.422 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c([nH]2)CCCC3)N1 587806824 VZXOLKOXTBLVCV-MLCYQJTMSA-N 363.274 4.419 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CCCO[C@@H]1C2(C)C 587841777 NZEPCYRIDVIHFB-MNYDMIQKSA-N 368.290 4.153 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1OCC[C@@H]1C 587863910 DWVDGMXYJQUZRQ-MEDUHNTESA-N 368.355 4.033 0 1 FIAF O=C(c1cc(-c2ccc(F)cc2)on1)n1nc2cc1Oc1ccc(F)cc1-2 587873972 QTYKHKQXGMTZDJ-UHFFFAOYSA-N 365.295 4.278 0 1 FIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1cccc2c1CCC21OCCO1 963114486 UDTZPOKHBGNLCJ-VGSWGCGISA-N 365.448 4.081 0 1 FIAF C[C@@]1(c2cccc(N3CCOC3=O)c2)c2c(F)cccc2C[C@H]2CCCN21 963117498 WXCJNVJWQORHEN-XMSQKQJNSA-N 366.436 4.066 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cccc(C)c1OC(F)F 963643180 ZKHIYIRNOZAOGW-KPZWWZAWSA-N 363.404 4.237 0 1 FIAF CCCCN1c2ccccc2CN2CC[C@@H](OC(=O)c3ccccc3)[C@@H]21 2356846310 OMQYRVGINJIUNI-RTWAWAEBSA-N 350.462 4.064 0 1 FIAF Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(cc3c(c1C)C=CC(C)(C)O3)O2 2356866295 WERIJWMZARYEAA-UHFFFAOYSA-N 366.369 4.331 0 1 FIAF CCOc1ccc2c(c1)sc(N)[n+]2Cc1cc(C)cc2cccnc12 3171982 WPEAHGYGNZZGPV-UHFFFAOYSA-O 350.467 4.075 0 3 FIAF CC(C)Oc1cccc(-c2ccc3c(c2)N(CC2CC2)C(=O)COC3)c1 74375941 LCOQLEPAWLZIPJ-UHFFFAOYSA-N 351.446 4.414 0 3 FIAF COc1ccc(-n2cc(Cl)nc(N[C@@H](C)c3ccccc3)c2=O)cc1 642860 NUIIVWYUDNVLPX-ZDUSSCGKSA-N 355.825 4.068 0 1 FIAF COc1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1OC 3264041 UKAVKUHTIJNYEZ-UHFFFAOYSA-N 358.397 4.070 0 1 FIAF C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)[C@@H]1C 6930045 ZKZLQVNOLBJHFM-HBUWYVDXSA-N 360.523 4.150 0 1 FIAF CCCC[C@@H]1C[C@H]1[C@H](NC(=O)c1ccco1)c1ccc(C(=O)OC)cc1 8607524 DHEAPNBLTDUXFD-ZHALLVOQSA-N 355.434 4.364 0 1 FIAF CCCCOc1c(Br)cc(CC(=O)O)cc1Br 13643196 PDWWLSBHJFKDFA-UHFFFAOYSA-N 366.049 4.018 0 1 FIAF in-vivo COc1ccc2c(c1)CC[C@@H](C1CCN(CCc3ccccc3)CC1)C2=O 13734333 NEEHDVAXWHGCFS-QFIPXVFZSA-N 363.501 4.395 0 1 FIAF COc1cc([C@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O 14641885 KBIHHHDCLJQNHG-FFHKOHFQSA-N 374.433 4.208 0 1 FIAF endogenous,in-man CO[C@@H]1c2c(c3c(c4c(C)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@H]1C 14930289 NEHHJJDJNPBYJK-QFSBIZTOSA-N 356.418 4.390 0 1 FIAF biogenic CC(=O)c1ccc2c(c1)[C@](O)(C[C@H](C)CN(C)C)c1ccccc1S2 27731867 RXLJVFFMJLBOPC-QKKBWIMNSA-N 355.503 4.178 0 1 FIAF Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@@H]2Cc2ccccc2)cc1 28704325 OWSCNQDUPWBPPF-SFHVURJKSA-N 361.894 4.123 0 1 FIAF CCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 45367950 PPNHFQVBAFEEFT-UHFFFAOYSA-N 353.205 4.354 0 1 FIAF CC[C@@H](CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc21 58583188 FBEBIFSHWMWIBE-HNNXBMFYSA-N 374.847 4.069 0 1 FIAF O=C1OCC(Nc2ccccc2Cl)=C1c1ccc(Br)cc1 72142594 WSFYZLDCMGXBLR-UHFFFAOYSA-N 364.626 4.483 0 1 FIAF CC(=O)c1ccc2nc(NC(=O)CCC(=O)c3ccccc3)sc2c1 95573096 PPXPLBIGOJPOSA-UHFFFAOYSA-N 352.415 4.101 0 1 FIAF CCCC[C@H](O)C1=CC[C@@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@@H]3C1 100962736 DJYWGBMTZMYDEB-GSPCLOLRSA-N 355.522 4.081 0 1 FIAF CC(=O)C[C@H]1c2cc(Cl)ccc2N=C(n2cncn2)N1c1ccccc1 103177946 HPVRJLDUKVRZAC-SFHVURJKSA-N 365.824 4.008 0 1 FIAF CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccccc3)cc2)c1Cl 103193777 WBQAGLZEAHRABN-UHFFFAOYSA-N 369.852 4.358 0 1 FIAF C[C@@H](NC(=O)Nc1cc2n[nH]c(C(C)(F)F)c2cn1)c1ccc(F)cc1 219773798 WTPHOTCIGQSLMT-SECBINFHSA-N 363.343 4.091 0 1 FIAF CC(=O)O[C@@H]1C[C@H]2C(=O)OC[C@H]2[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 238789584 YMZURUWUXXNPKP-CXYRTRQISA-N 362.510 4.360 0 1 FIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Cl)cnc3[nH]2)c1 586915378 LEHNOUXXEHLZMX-UHFFFAOYSA-N 365.776 4.380 0 1 FIAF O=C1c2ccccc2-c2cc(Cc3ccc(O)cc3)nc3ccc(O)c1c23 586989846 ACSJRYWBBBBCFS-UHFFFAOYSA-N 353.377 4.448 0 1 FIAF COC(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587076243 RUDMOIXSSHUZRO-UHFFFAOYSA-N 366.808 4.164 0 1 FIAF CC(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587091251 HMDWZVKTBCQJJE-UHFFFAOYSA-N 351.353 4.482 0 1 FIAF CCOc1cc(/C=C/c2nc3c(Cl)ncnc3[nH]2)ccc1OC(F)F 587129667 FIGPXWSLCOOFNQ-GQCTYLIASA-N 366.755 4.177 0 1 FIAF Cc1cc(Br)c2[nH]c(/C=C/C(=O)Nc3ccc(F)cc3)nc2c1 587166707 HAJCDCUGXUCPNO-VOTSOKGWSA-N 374.213 4.425 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Cl)nc2[nH]1 587200858 ARLSXSHHGDRNPX-UHFFFAOYSA-N 352.866 4.192 0 1 FIAF C[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376562 POTFFHXXEMFHJY-APWZRJJASA-N 355.390 4.262 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(O)(c3cccc(Cl)c3)CC1)O2 587377427 IFCXQSHTKCQXEK-UHFFFAOYSA-N 371.864 4.396 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(=C\N(C)C)c1cccc(Cl)c1)O2 587379570 VUDIJGJJFIZBTK-QMDZLVRISA-N 356.853 4.167 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(F)(F)F)cc1)O2 587382292 OLUBUTPCUVTYJU-INIZCTEOSA-N 351.324 4.225 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4cccc(C)c4)c1C)[C@@H](C2)C3=O 587432122 NIMNDOQSYZTTIN-MBSDFSHPSA-N 374.440 4.295 0 1 FIAF COc1ccc([C@]2(C(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443782 RSFUJIWESGDLAX-VGSWGCGISA-N 352.430 4.393 0 1 FIAF C/C(=C/[C@@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587536667 YZBMOZNMSIVAPL-KGXYIWNSSA-N 368.502 4.348 0 1 FIAF COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587731747 ZKORARPRKPZSBX-XYZCENFISA-N 368.221 4.360 0 1 FIAF CC(C)c1nn(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587761414 BGCWESACJZVQSJ-QGHHPUGFSA-N 366.278 4.069 0 1 FIAF CCC[C@@]1(C2CCNCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799436 XCKVURBCCPANIF-SGTLLEGYSA-N 369.322 4.117 0 1 FIAF COCc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587803848 YAXMJMLAMRYFHT-VOJFVSQTSA-N 364.258 4.358 0 1 FIAF CCc1cc(O)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587835439 WMKVITVKXYGNDY-XTZNXHDOSA-N 364.258 4.480 0 1 FIAF COC(=O)c1ccnc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc12 587956071 RVDWUCSLEWZRCL-GOSISDBHSA-N 357.413 4.119 0 1 FIAF C=C1C(c2ccc(Br)cc2)=CC(=O)N1c1ccc(OC)cc1 1857574792 VRXNXCSBOHWESK-UHFFFAOYSA-N 356.219 4.402 0 1 FIAF NC(=O)c1ccccc1Oc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 1857614122 RQNICYXQRPEJHL-UHFFFAOYSA-N 373.368 4.000 0 1 FIAF NC[C@@H](N=c1[nH][nH]c2ccc(-c3ccccc3Cl)cc12)c1ccccc1 1857615567 BDCDUHPSZYIFAC-HXUWFJFHSA-N 362.864 4.417 0 1 FIAF Cc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)[N@]2S(=O)(=O)c2ccc(C)cc2)cc1 1857623981 KWYXQHAUBJOQFR-WOIUINJBSA-N 371.502 4.033 0 1 FIAF COc1c(C(=O)Nc2ccc(CC(=O)O)cc2)cccc1-c1ccccc1 1857650289 LFXXMKJMMRPODO-UHFFFAOYSA-N 361.397 4.242 0 1 FIAF C[C@@]12C[C@H]3C[C@@](C(=O)NCC4CCNCC4)(C1)C[C@@](c1ccccc1)(C3)C2 1911575965 WBFGTDLDSUZMTA-OYYPCOLYSA-N 366.549 4.031 0 1 FIAF CN(C)C1C=CC(=C2C=CN(CC(=O)c3ccc(Cl)cc3)C=C2)C=C1 2356832161 HZMZELYCBSJLOF-UHFFFAOYSA-N 352.865 4.219 0 1 FIAF COc1ccc(Cl)cc1-c1cc(C(=O)N[C@H](C)c2ccccc2)[nH]n1 61907575 YZTLOZAPYUDWPJ-GFCCVEGCSA-N 355.825 4.230 0 3 FIAF Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(N(C)C)ccc12 5891702 DREXCVSFPZENLE-UHFFFAOYSA-N 364.493 4.480 0 1 FIAF O=C([C@H]1[C@H]2CCCC[C@H]2C=C[C@H]1c1ccc2c(c1)OCO2)N1CCCC1 6528369 QXSFPRUSCMGQOM-DBSRCYSRSA-N 353.462 4.114 0 1 FIAF biogenic CC[C@@H](CO)Nc1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C 13795076 ZLBWRKDGEWTLOL-SFHVURJKSA-N 366.509 4.454 0 1 FIAF COc1ccc(CCC(=O)N[C@@H](CCN(C)C)c2ccc(Cl)cc2)cc1 28653912 BMMSRFZZLSBZRR-FQEVSTJZSA-N 374.912 4.090 0 1 FIAF Brc1ccccc1-c1nnc2ccc(-c3ccccc3)nn12 82060448 UDJPLKPWWMBDJW-UHFFFAOYSA-N 351.207 4.221 0 1 FIAF CC1=Nc2ccccc2CN1C[C@H](O)c1cc(Br)cs1 84688273 UZIOSLSSSIDBFU-AWEZNQCLSA-N 351.269 4.110 0 1 FIAF C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c3cocn3)c2c1 95552699 OXMGMNBSFVVJAF-SNVBAGLBSA-N 368.776 4.313 0 1 FIAF O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)c1cccc(F)c1 96174714 CXMQCFFBSCVGHS-UHFFFAOYSA-N 370.387 4.305 0 1 FIAF CCCCn1c2c(cc(C(=O)NC3CCCCC3)c1=O)CCCCCC2 96929216 IVUOVVRJRKZZQF-UHFFFAOYSA-N 358.526 4.370 0 1 FIAF CC(C)(C)c1ccc(O)c([C@@]2(c3cccnc3)C(=O)Nc3ccccc32)c1 96937506 UCLNLCZRVXWALN-QHCPKHFHSA-N 358.441 4.371 0 1 FIAF Fc1ccc(CN2[C@@H]3CN(CC(F)(F)F)C[C@H]2[C@H]3c2ccccc2)cc1 100087693 UXWLJMRPAOPPFO-BWTSREIZSA-N 364.386 4.040 0 1 FIAF COc1cccc(F)c1[C@H]1C[C@H](C)C(=O)N1Cc1cnc2ccccc2c1 167046272 JMFKYGMKQKXEDK-IFXJQAMLSA-N 364.420 4.492 0 1 FIAF O=S(=O)(O)c1ccc(-c2ccc(-c3c[n+]4ccccc4s3)cc2)cc1 169318505 FAMGRGLDIRRTFF-UHFFFAOYSA-O 368.459 4.068 0 1 FIAF COc1cc(O)ccc1-c1oc2cc(O)cc(O)c2c(=O)c1CC=C(C)C 238789657 QWUWEVIBWLBNJT-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF CCCCNc1ncc(-c2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 261151043 OYQORZDLJYKSEI-QAQDUYKDSA-N 358.461 4.210 0 1 FIAF Cc1cnc2nc(-c3noc(C)c3COc3ccc(Cl)cc3)[nH]c2c1 587075011 DCXDRIMNAOTSSJ-UHFFFAOYSA-N 354.797 4.462 0 1 FIAF Cc1cccc(NC(=O)Cc2nc3cc(Br)cc(C)c3[nH]2)c1C 587238961 JXDVBTATFDRBMC-UHFFFAOYSA-N 372.266 4.432 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(N)cc4ccccc34)nc2c1 587252535 YWSWDOZWFGVHNA-UHFFFAOYSA-N 351.793 4.405 0 1 FIAF CC(C)[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356556 KDKQJUZEUDOSFE-TUNNFDKTSA-N 370.420 4.464 0 1 FIAF O=C1C[C@](C(=O)O)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587499368 INTNHZFKPAOAHE-HXUWFJFHSA-N 356.805 4.164 0 1 FIAF CCOC(=O)[C@@]1(C2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587525176 SSZBNLZPQNUWRU-QFIPXVFZSA-N 356.462 4.413 0 1 FIAF CCc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587608561 LOFSQPZXBRMBPT-UGKGYDQZSA-N 362.381 4.363 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccn2)N1 587700108 LRLFHLBTYYTWDO-AYVTZFPOSA-N 355.638 4.260 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2F)N1 587724152 DZJKBWBDWWMTPT-BCTVWOGZSA-N 354.194 4.057 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cnc2Cl)N1 587733173 NOFZETKWTWMALJ-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(F)ccc32)N1 587735494 UTCHDLFCBFJGOX-MGNBDDOMSA-N 364.233 4.451 0 1 FIAF Cc1cc(F)ncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587738440 OKWBKCAPZMFDOG-XXFAHNHDSA-N 353.210 4.054 0 1 FIAF CCN(CC)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587738975 FBVUIBATSTZBNJ-YVEFUNNKSA-N 357.311 4.070 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccsc32)N1 587859916 YYCJQMFOGXNHLS-FVMDXXJSSA-N 352.272 4.374 0 1 FIAF O=C([C@@H]1CCN(Cc2ccccc2)C1)n1nc2cc1Oc1ccc(F)cc1-2 587876405 SKCKTXLHHGNRHU-OAHLLOKOSA-N 363.392 3.957 0 1 FIAF COc1ccc(/C=C\Cc2nc3cc(OC)c(Cl)cc3[nH]2)c(OC)c1 587928714 HUMKLIVXWHGGTK-PLNGDYQASA-N 358.825 4.498 0 1 FIAF C[C@@]1(C23CC(F)(C2)C3)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962950286 CYZJYVGAHAZGDQ-IPJUCJBFSA-N 369.402 4.464 0 1 FIAF Fc1ccc([C@]2(C(F)(F)F)NCCc3nc4ccccn4c32)cc1Cl 962983087 AMJASDSMZLBLEW-INIZCTEOSA-N 369.749 4.078 0 1 FIAF Fc1cccc2c1[C@H](c1cccnc1OCC(F)(F)F)N1CCC[C@H]1C2 963095092 CGAMAZJKQUWBNP-GUYCJALGSA-N 366.358 4.272 0 1 FIAF CC[C@@]1(c2ccccc2Cl)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963220639 FDEZZGCIWDBJDA-FPOVZHCZSA-N 366.848 4.141 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2O)cc1 1772628791 KDMJBLUICZFCNN-FCHUYYIVSA-N 362.404 4.161 0 1 FIAF O=C(c1ccc(-n2cnc3c(NCc4ccccc4)ncnc32)cc1)C1CC1 1857535718 PBYRILDCEURDAM-UHFFFAOYSA-N 369.428 4.020 0 1 FIAF c1ccc([C@H]([C@H](c2ccccn2)N2CCCCC2)N2CCCCC2)nc1 1857587828 QLTBRUVLRLFPSE-SZPZYZBQSA-N 350.510 4.231 0 1 FIAF OCCCCCN1CCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1 1857613115 XFLHXNSJGVOJTG-IBGZPJMESA-N 351.450 4.189 0 1 FIAF CCC(C)(C)c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1 1857631952 ZOTJWFCLJIVAQD-UHFFFAOYSA-N 367.537 4.360 0 1 FIAF O=C(O)C=C[C@H](CCCCCCCCCCCCCO)N=c1cc[cH-][nH]1 2356420339 WQHCFHNVDZJJJE-IBGZPJMESA-N 363.522 4.317 0 1 FIAF CCC(=O)c1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)cc1 3618077 ILSBPTPRHHVEAI-UHFFFAOYSA-N 373.884 4.408 0 1 FIAF Cc1cc2c(C3=Nc4ccccc4C3=O)c(O)[nH]c2cc1Br 13559468 KTNYZVYVXUQVCW-UHFFFAOYSA-N 355.191 4.262 0 1 FIAF CN(C)CCCc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1CCCC2 13588474 KAYBBGOKUMYLEP-AQTBWJFISA-N 367.468 4.020 0 1 FIAF Fc1ccc2c(c1)nc(N1CCN(Cc3cccs3)CC1)c1cccn12 13801520 XKNUDEZEOBPPGW-UHFFFAOYSA-N 366.465 4.010 0 1 FIAF Cc1noc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)n1 35982807 VXICBIKGZNYPSZ-UHFFFAOYSA-N 362.414 4.421 0 1 FIAF C=C1C(C)=C(C(=O)OCC)C(=O)N1c1cc(Cl)c(Cl)cc1Cl 64510303 IUBRKEQYVUJNIQ-UHFFFAOYSA-N 360.624 4.387 0 1 FIAF COc1ccc([C@@H]2[C@@H](C)C(=S)N2c2cc(OC)c(OC)c(OC)c2)cc1 66259803 NAPVLQUURFIQJL-XIKOKIGWSA-N 373.474 4.246 0 1 FIAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCCC1 72111207 WMXJYEDCJIDCNY-UHFFFAOYSA-N 360.457 4.318 0 1 FIAF in-vivo O=C(CCN1CC[C@@]23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13)c1ccco1 100842855 YBXNDQIEEVILNJ-MIZPHKNDSA-N 365.473 4.317 0 1 FIAF Cc1cccnc1-c1ccc2c(=O)n(-c3ccc(C(F)(F)F)cc3)[nH]c2n1 138220268 JBKBYCPLTXERTR-UHFFFAOYSA-N 370.334 4.103 0 1 FIAF O=S(=O)(NCC1CC1)c1ccc(Nc2ccccc2)cc1C(F)(F)F 144284992 FSNZQFMQPKGZOB-UHFFFAOYSA-N 370.396 4.137 0 1 FIAF COc1ccc2cc(Cc3cncc4cc(OC)c(OC)cc34)cnc2c1 205653782 KYLBNLPDSGDJCE-UHFFFAOYSA-N 360.413 4.400 0 1 FIAF O=C(O)CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1 473118894 LVUWGHOKMIGPFO-FQEVSTJZSA-N 354.837 4.244 0 1 FIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586908551 RVXSOADKAMJATP-MRVPVSSYSA-N 352.287 4.302 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586964401 YTNFOEVPMXDCBF-LBPRGKRZSA-N 357.483 4.303 0 1 FIAF Cc1n[nH]c(C)c1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989188 ARTUIGHHPCXOBJ-UHFFFAOYSA-N 355.397 4.083 0 1 FIAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Cl)cccc4[nH]3)no2)n1 587118200 KOTHKLVEWWYTHG-UHFFFAOYSA-N 367.718 4.135 0 1 FIAF CCOc1cc(/C=C/c2nc3cncc(OC)c3[nH]2)ccc1OC(F)F 587130003 IVMAFCOLYFGPJG-FNORWQNLSA-N 361.348 4.137 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(C(C)(C)Nc3ccc(OC)cc3)nc2c1 587201506 PFWHKHMYEDIWAX-UHFFFAOYSA-N 373.840 4.359 0 1 FIAF O=C(OCc1ccccc1)N1CCO[C@H](c2cc3c4c(cccc4n2)CC3)C1 587213499 WOYGYJCBRRWCOD-NRFANRHFSA-N 374.440 4.044 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCCn3cccc32)[C@@H]1c1ccc(F)cc1 587336115 JBFAKDHAJDMYJZ-IFMALSPDSA-N 363.388 4.381 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccncc1NC(=O)OC(C)(C)C)O2 587392167 XPHQRVUKITXWJI-QGZVFWFLSA-N 369.421 4.026 0 1 FIAF COc1cc(Cl)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587419956 FZCRKDANURMZRO-ADLMAVQZSA-N 365.212 4.499 0 1 FIAF C[C@]1(c2ccc(O)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567165 FMLUQQGMQIAZNV-WIYYLYMNSA-N 366.344 4.114 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2c1ccccn1 587587464 MZBCLLOVFRXGCJ-GRWTVWFQSA-N 373.408 4.455 0 1 FIAF Cc1cccc2c1NCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591962 FRZNCNVWHWUSLV-AUSIDOKSSA-N 373.408 4.373 0 1 FIAF Cc1cc(N)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748485 XICXFXRLGGGUTH-VOJFVSQTSA-N 363.274 4.277 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587929423 JLOOGGFAUMNLEW-SPLOXXLWSA-N 350.418 4.178 0 1 FIAF COc1cccc2cc3c(nc12)[C@@H](c1ccc([C@H]2CCCCO2)o1)NCC3 963056900 NIRZRDPTBQISAB-OPAMFIHVSA-N 364.445 4.313 0 1 FIAF COC(=O)c1[nH]c2cc(OC)ccc2c1-c1ccc(Br)cc1 1857595513 YXPUGXJBXCKHHH-UHFFFAOYSA-N 360.207 4.393 0 1 FIAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccc(Br)cc1 2356468453 CLZDJZYBHMNIKP-DVOMOZLQSA-N 367.287 4.118 0 1 FIAF COc1ccc(CC[C@H](C)N2CCC(CO)(Cc3ccccc3)CC2)cc1 12507493 ORZQFGGZADEXFO-FQEVSTJZSA-N 367.533 4.334 0 3 FIAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)C(=O)C[C@@]12C 2356460195 MGXRFKNRAHZEED-PBVWOCPUSA-N 362.510 4.225 0 1 FIAF CN(C)CCCn1c(Cc2ccc(Br)cc2)nc2ccccc21 29132758 WNONMKHHEOLVQW-UHFFFAOYSA-N 372.310 4.341 0 1 FIAF COC(=O)c1oc2c3cc(OC)ccc3n(-c3ccccc3)c2c1OC 29394341 PPYPKYLOIVTCHE-UHFFFAOYSA-N 351.358 4.181 0 1 FIAF OCc1ccccc1[C@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708215 CTRHVTATDSKVGA-DEOSSOPVSA-N 373.496 4.252 0 1 FIAF Cc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 28897029 KYRFNMXATSCERT-UHFFFAOYSA-N 373.437 4.125 0 1 FIAF COc1cc([C@H]2OC[C@H](CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)O2)ccc1O 100776489 ZOGKSXQLOOQXFG-RCJOQXLUSA-N 364.482 4.292 0 1 FIAF endogenous,in-man COC(=O)c1sc2cc(Nc3nc4ccccc4s3)cnc2c1N 66258930 UBAJZUYTLWGNIG-UHFFFAOYSA-N 356.432 4.018 0 1 FIAF CC(C)CN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F 82150994 DQQCKOHKKBZYQN-UHFFFAOYSA-N 370.472 4.001 0 1 FIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 82197878 QZUIUVIFPAJRKS-KRWDZBQOSA-N 361.486 4.224 0 1 FIAF COc1cc([C@@H](C[C@H](C)[C@H](C)CO)c2ccc(OC)c(OC)c2)ccc1O 238786773 IIOUDXQFBYWNMG-HDMKZQKVSA-N 374.477 4.205 0 1 FIAF CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 95579430 FMWROTRZBIZHIS-VYALMSHHSA-N 370.468 4.105 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCc4c(C(F)(F)F)cccc41)[C@@H](C2)C3=O 587421420 KSFGAQQAZGOLCN-HNAYVOBHSA-N 360.331 4.303 0 1 FIAF CC[C@@]1(c2nccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587851174 BEUMKQACZHFUIL-BJOHPYRUSA-N 355.276 4.233 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3n2C)N1 587754130 CTSLQTBAERIKRD-BMLIUANNSA-N 374.257 4.099 0 1 FIAF C[C@]1(CCCCCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603371 MUVPTWKNZOOPIU-WIYYLYMNSA-N 370.401 4.148 0 1 FIAF CC[C@@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571561 QHMSRWBHZVLGBK-RXVVDRJESA-N 365.360 4.193 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cnn(C)c23)N1 587761205 UDHCAQMYCGKRSD-DYZYQPBXSA-N 374.257 4.099 0 1 FIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(F)cnc4[nH]3)c2C1 587031699 LDXNGLOZUYDINQ-UHFFFAOYSA-N 374.441 4.119 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1Cl 587551748 JFBJUGRJCPIACL-LPHOPBHVSA-N 353.761 4.144 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)s2)N1 587851825 CUCJXERIOHKJTO-PWCHPLFNSA-N 361.667 4.322 0 1 FIAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587847274 KAFROQDNTWLCFM-AYVTZFPOSA-N 356.260 4.282 0 1 FIAF COc1cnc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1Cl 587065430 ZVCAJLYPEQCYGF-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(F)cc(F)c2[nH]1 587167423 MYTIPEDOKPMAEL-HNNXBMFYSA-N 360.339 4.349 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(F)cc2C=O)N1 587738005 JEGNDZLLRGSYQG-NXSYQRQQSA-N 372.234 4.225 0 1 FIAF CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587807908 FDDIDYCCALKAOU-MNRXQERYSA-N 356.279 4.153 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)([C@H](C)O)CC2=O 587460806 IIQBTVHLMRXGES-FKIZINRSSA-N 360.837 4.240 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cccnc32)N1 587778201 LNKHSTSUCCFGLZ-ZMZPIMSZSA-N 361.258 4.097 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccc(N)cc1)(c1cccs1)[C@@H](C2)C3=O 587452754 UNAARIUZBCWCDD-HRAATJIYSA-N 363.438 4.030 0 1 FIAF Cc1ccc(-c2ccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c(Cl)c2)cc1F 587147106 GRMKKBUDHLXCOF-UHFFFAOYSA-N 353.788 4.152 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586963887 RPOOMUTVCLJDBD-MRVPVSSYSA-N 370.265 4.312 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc(-c4cncc(F)c4)[nH]c3c2)cc1 587176726 DSZCJRJWTFEJFH-UHFFFAOYSA-N 363.348 4.343 0 1 FIAF Cc1cnc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587802373 LVXHCKTUMWRJLX-DYZYQPBXSA-N 374.257 4.397 0 1 FIAF Oc1nc(S)nc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 587949213 BTULJHBXGVMCBD-KHPPLWFESA-N 362.414 4.310 0 1 FIAF C[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 587154807 HNXWPGFCUGJFPI-QGZVFWFLSA-N 365.742 4.425 0 1 FIAF CCCCN1C(=O)[C@@H]2[C@@H](C1=O)c1[nH]c3ccccc3c1[C@H]1CCCC[C@H]12 18189604 GGXWBZNRHZUBAJ-QABNGEJJSA-N 350.462 4.324 0 1 FIAF CCOC(=O)[C@@]1(CCCc2ccccc2)CC[C@@]2(c3ccccc3)O[N@]21 1857567111 AHHYNRUAUCHPHR-VJBWXMMDSA-N 351.446 4.205 0 1 FIAF O=C(Nc1ccc2[nH]ccc2c1)c1cccc(NC(=O)c2ccccn2)c1 1857758488 KJVHOSMVULKZHY-UHFFFAOYSA-N 356.385 4.068 0 1 FIAF COc1cc(-c2coc3cc(O)ccc3c2=O)c2c(c1O)OC(C)(C)C=C2 14658669 DKSRZQWUVBJELX-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF biogenic CCCCCCc1ccc(Oc2ccccc2NC(=O)C(=O)O)c(O)c1 29049736 VDRHDUGIZBZVSV-UHFFFAOYSA-N 357.406 4.330 0 1 FIAF O=C(O)C1CCN(c2cc3cccnc3c(-c3cccc(Cl)c3)n2)CC1 38895641 RXBMPEMJBXRGAW-UHFFFAOYSA-N 367.836 4.251 0 1 FIAF O=C(c1ccc(-c2nc(-c3ccc(F)cc3F)no2)s1)C(F)(F)F 40861187 ZODJGPAXHPYDLJ-UHFFFAOYSA-N 360.263 4.488 0 1 FIAF Cc1cccc(NC(=O)Nc2ccc(-c3cnc4cc(C)nn4c3N)cc2)c1 40894511 DYDZJWHPKJQZPQ-UHFFFAOYSA-N 372.432 4.239 0 1 FIAF Cc1ccc(-c2nnc(NC(=O)C(C)(C)Oc3ccccc3)o2)cc1C 66139335 BKFWOTLGPAJGEJ-UHFFFAOYSA-N 351.406 4.150 0 1 FIAF COc1cc(Cc2nccc3cc(OC)c(OCCF)cc23)ccc1F 72106099 LTWPFLBOMYAODM-UHFFFAOYSA-N 359.372 4.330 0 1 FIAF CC1=CC(=O)O[C@@H]2C=C(OCCOc3ccc(C(C)(C)C)cc3)C=C[C@H]12 96915545 JXSDWFXCOLPHSF-WOJBJXKFSA-N 354.446 4.321 0 1 FIAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccncc1 100705071 MNIWFLGBEGPOAL-CYBMUJFWSA-N 368.462 4.149 0 1 FIAF CCCn1c(=O)c2c(c3cc(C(=O)N(CC)C4CC4)ccc31)CCCCC2 169329452 QWAZLORFXKTOBF-UHFFFAOYSA-N 366.505 4.305 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc12 586887833 JBEQLKZIXLXZDC-DIFFPNOSSA-N 358.214 4.231 0 1 FIAF O=C1O/C(=C\c2nc3cc(Br)cc(F)c3[nH]2)c2ccccc21 586906620 OPLBCAGRHCQFOQ-QPEQYQDCSA-N 359.154 4.133 0 1 FIAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ncc[nH]c-2n1 586983208 XGROUJCWLKBVIO-ZDUSSCGKSA-N 359.271 4.439 0 1 FIAF Cc1nccc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc12 587032877 DQINMDWEFIAMKO-UHFFFAOYSA-N 370.478 4.288 0 1 FIAF Clc1ccccc1-c1nc(-c2nc3cc4c(cc3[nH]2)OCCO4)co1 587060849 OFRDJBWYLTWUDY-UHFFFAOYSA-N 353.765 4.310 0 1 FIAF Cc1cnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 587081311 NIQNLVFOLNAYKX-UHFFFAOYSA-N 360.808 4.296 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3ccc(Br)c(C)c3[nH]2)c1 587242231 KDNRIDFZNQCYBH-UHFFFAOYSA-N 358.239 4.183 0 1 FIAF COC(=O)Nc1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cn1 587245009 MKFOFNCJLSLIBA-UHFFFAOYSA-N 374.400 4.382 0 1 FIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587378536 UWRJABWWUHHEAQ-MRXNPFEDSA-N 362.223 4.055 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC(F)(F)F)cc1)O2 587381683 HXTBBZHQCSPYFZ-KRWDZBQOSA-N 351.324 4.356 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4cccc(F)c4)s1)[C@@H](C2)C3=O 587427094 GUADNOSIQXMQIT-LIRRHRJNSA-N 367.401 4.447 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCSc4cc(F)c(F)cc41)[C@@H](C2)C3=O 587427521 JGHDLQUPJCIJKY-BUXKBTBVSA-N 360.381 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1cnn(CC)c1C)(C(C)C)CC2=O 587479112 YQPUBVNRMSSHFZ-NRFANRHFSA-N 356.466 4.386 0 1 FIAF CCCc1c(O)ccc2c1OC1(CC2=O)c2cccnc2-c2ncccc21 587489408 LZPHQPGHVIJPRU-UHFFFAOYSA-N 358.397 4.024 0 1 FIAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1ccccc1 587517959 YAELAFKNFVZSPZ-QHCPKHFHSA-N 373.456 4.335 0 1 FIAF Cc1ccc2[nH]nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587593341 ISWHVYHHVNBUIZ-PGRDOPGGSA-N 372.380 4.280 0 1 FIAF CCC(=O)CC[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599257 DMTTZFTUYXQXTF-NQIIRXRSSA-N 354.402 4.262 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2F)N1 587721426 VHNMGZXFSJIQTH-ZKANADHPSA-N 354.194 4.057 0 1 FIAF CC[C@]1(C2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587834849 MQENYTUAZZHQQL-APPDUMDISA-N 356.279 4.154 0 1 FIAF COc1ccc(C[C@@H](C)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1OC 587926141 IWYMMOPGNCMQMS-MRVPVSSYSA-N 368.330 4.483 0 1 FIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@]34CCCc3[nH]ccc34)C2)cc1 962640920 MLUZXPQDOWFRJW-BWKNWUBXSA-N 369.512 4.342 0 1 FIAF CCCC(=O)c1c(O)c(C=O)c(O)c2c1O[C@]1(C)C=C[C@H](C(C)C)C[C@H]1C2 2356540316 TWCNVRBOBWVQSG-FBJOKTGGSA-N 372.461 4.435 0 1 FIAF CC(=O)O[C@@H]1CC2=C(COC2=O)[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]12 2356632103 FLSJEPDXKPIBAA-XPMXXILHSA-N 360.494 4.424 0 1 FIAF Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCC(C)CC3)c2)on1 9269191 JGNWNUGUTRDNSA-UHFFFAOYSA-N 362.495 4.194 0 3 FIAF CCN(CC)C(=O)c1cccc(-c2csc([C@H](O)c3ccccc3)n2)c1 61906632 ODMDTDZFQFXBAE-LJQANCHMSA-N 366.486 4.374 0 3 FIAF CC(C)CC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 3660396 JXPFPDKWEPPJLC-FQEVSTJZSA-N 356.853 4.256 0 1 FIAF CC(C)Oc1ccccc1CNC(=O)c1ccc2cncc(Cl)c2n1 5963110 NKRGBJDQLSOBHA-UHFFFAOYSA-N 355.825 4.000 0 1 FIAF CCc1cc(CNCc2c[nH]nc2-c2ccc3cc(OC)ccc3c2)on1 11935431 UJZCSLDOMLBPFM-UHFFFAOYSA-N 362.433 4.079 0 1 FIAF COc1cc2ccnc(C(=O)c3cccc(Br)c3)c2cc1OC 26668296 HZNDZERTNDQWTH-UHFFFAOYSA-N 372.218 4.246 0 1 FIAF O[C@@](Cn1ccnc1)(c1ccc(F)cc1)c1cccc(-c2cccnc2)c1 26939509 FHFIZGGBCUBMLB-QFIPXVFZSA-N 359.404 4.020 0 1 FIAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(F)cc3C)c(C)nn12 28361750 XLAXLTMXKQBCIJ-UHFFFAOYSA-N 355.461 4.482 0 1 FIAF CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 28478014 ZODZKHUBOYRAIY-QZTJIDSGSA-N 351.446 4.498 0 1 FIAF CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1O 28827111 DOJGVPNUBHKCND-UHFFFAOYSA-N 367.449 4.009 0 1 FIAF in-vitro O[C@@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2-c2ncncc21 29392666 YEUONTMBLBKVLO-SFHVURJKSA-N 356.212 4.292 0 1 FIAF CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1Nc1ccc(C)cc1 40401826 YFQJDBJPTPALHF-HKUYNNGSSA-N 371.531 4.476 0 1 FIAF CCCn1ccc2cc(OCCCc3cccnc3)cc(Cl)c2c1=O 66074031 DYMLLWBQOOGYRB-UHFFFAOYSA-N 356.853 4.472 0 1 FIAF c1cnc(-c2oc3cnccc3c2Nc2ccc3c(c2)Cc2c[nH]nc2-3)nc1 66075028 AORAGEHQXBTRRF-UHFFFAOYSA-N 366.384 4.323 0 1 FIAF C[C@@H](C(=O)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 72104647 SXZYCRORGALMIH-ULPGVBKRSA-N 361.526 4.187 0 1 FIAF Cc1ccc2c(c1)sc1nc(-c3ccccc3)c(CN3CCOCC3)n12 72179465 CKACQBOQGAKWRZ-UHFFFAOYSA-N 363.486 4.357 0 1 FIAF Cc1cc(Cl)cc2c(=O)oc([C@H]3CC(c4ccc(F)cc4)=NO3)nc12 84704553 OWCDIZLTWGEFQU-OAHLLOKOSA-N 358.756 4.155 0 1 FIAF CC(C)n1nc(Cn2nc3ccccc3c2CCCCO)c2ccccc21 95587903 QAKOKBSLAYKMAH-UHFFFAOYSA-N 362.477 4.330 0 1 FIAF CN1CC[C@H](Oc2cc(NCc3cccs3)ccc2C(F)(F)F)C1 95603663 YNHVGRQTPLHKSW-ZDUSSCGKSA-N 356.413 4.462 0 1 FIAF CCCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1 103172300 XGFPMZVTMUQTML-LLVKDONJSA-N 353.777 4.387 0 1 FIAF C[C@@H]1CCN(c2cccc(Nc3cc(-c4ccccc4)nn4ccnc34)n2)C1 207354934 MDCYLEFLXKCDTP-MRXNPFEDSA-N 370.460 4.381 0 1 FIAF C/C=C(/C)C(=O)O[C@H]1C[C@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@@H]1OC(C)=O 238739623 QGJOZBRXAVBQQO-YGZHNTOBSA-N 374.477 4.159 0 1 FIAF CC(=O)O[C@@H]1[C@@H](O)C(C)=C(CC/C(C)=C\CO)[C@@]2(C)CCCC(C)(C)[C@H]12 238759796 BIBTUYYDRZOYNN-VVLMCMDCSA-N 364.526 4.161 0 1 FIAF Cc1cn(CCCn2c(O)c3c4c(sc3nc2=S)C[C@@H](C)CC4)cn1 261081893 BVRRXKKPSNRXPI-NSHDSACASA-N 374.535 4.253 0 1 FIAF COc1ccc2[nH]c3c(=O)[nH]nc(-c4ccc(C(F)(F)F)cc4)c3c2c1 299821874 GYKQPSTUXUKXHP-UHFFFAOYSA-N 359.307 4.099 0 1 FIAF CCO[C@H](C)c1nc(C)c(-c2nc3c(Br)ccnc3[nH]2)s1 587014523 MUBVNYWOVFFSLD-MRVPVSSYSA-N 367.272 4.250 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2n1 587067173 WQFPHUGEZYLEMK-UHFFFAOYSA-N 366.808 4.164 0 1 FIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc3ncccc3c2[nH]1 587108639 GMDCPJYDAJJRKZ-UHFFFAOYSA-N 357.291 4.495 0 1 FIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1F 587153085 VQPVZQBHNHJYHD-IUCAKERBSA-N 350.271 4.434 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(F)c(F)cc2[nH]1)C(C)(C)C 587202595 BODUQMHATSVWOV-AWEZNQCLSA-N 353.413 4.323 0 1 FIAF CC[C@]1(c2cc(Cl)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420001 OLQFGWSDMCISPW-FOIQADDNSA-N 358.821 4.410 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cncc4nc(C(C)(C)C)oc14)[C@@H](C2)C3=O 587436850 UWAKWEQYHXALQB-SGTLLEGYSA-N 364.401 4.018 0 1 FIAF CC[C@@H](C)Oc1c(OC)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439052 JAONHGSGFPXWCV-FFUDGTDTSA-N 368.429 4.370 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccc(F)cc3[nH]1)CC2=O 587470179 FGODSYNKXFCVTO-FQEVSTJZSA-N 354.381 4.241 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C[C@@H](C)C(=O)O)(c1ccccc1)CC2=O 587487750 IEBLJSDZASSFBK-PEBXRYMYSA-N 368.429 4.316 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCCCC1OCCO1)(C1CC1)CC2=O 587493698 VBTOZSXBZPANLD-JOCHJYFZSA-N 374.477 4.392 0 1 FIAF CCOC(=O)[C@H](C)n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510656 BXVKDNNDJJZCCQ-XOBRGWDASA-N 367.445 4.198 0 1 FIAF Cc1nn(-c2ccncc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513552 CFRGPLSHHGKROI-OAQYLSRUSA-N 359.429 4.161 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC 587525624 QVAANUOUZVVTKR-IBGZPJMESA-N 368.429 4.298 0 1 FIAF CNc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576250 GEWOTBJJBRHQHO-UGKGYDQZSA-N 361.397 4.311 0 1 FIAF Cc1cccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587586884 LAOUOFUKTVSRHR-UGKGYDQZSA-N 361.397 4.059 0 1 FIAF C[C@]1(Cc2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607897 IRMJRCBKVQTIHS-DENIHFKCSA-N 362.381 4.061 0 1 FIAF CCc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611297 HUXVABIONUXTET-QFBILLFUSA-N 353.399 4.114 0 1 FIAF Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2cc(Cl)c(F)cc12 587631223 YAMGVCSLNZCRSE-UHFFFAOYSA-N 360.816 4.403 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ncc2Cl)N1 587738818 QVQPPTKBAWWLOR-NZFNHWASSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccoc3cn2)N1 587777455 HWHGJXGHBMRMFO-HUTHGQBESA-N 361.214 4.353 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccc(C)cc1 587870850 UCHXFPFTHREOIH-UHFFFAOYSA-N 353.397 4.149 0 1 FIAF Cc1c(F)ccc2c1[C@H](c1cc(F)c(Br)c(F)c1)NCC2 962145506 MFAAXAZUHXPXKV-INIZCTEOSA-N 356.185 4.410 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(CCc1ccc(Cl)s1)NCC2 962932539 QTTKFJCXOILIFD-IBGZPJMESA-N 362.926 4.097 0 1 FIAF COC(=O)[C@]1(C=C2c3ccccc3[C@H](OC)[C@@H]2C)[C@H]2Oc3ccccc3[C@H]21 1857621829 ASIWMRFKVKKMJP-DVYGTNOQSA-N 362.425 4.125 0 1 FIAF S=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1n1ccnc1 1857761059 RKCVLYZVWXOMRW-KRWDZBQOSA-N 352.850 4.326 0 1 FIAF Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)c1 12471861 MXCNDDRXASIIDI-HNNXBMFYSA-N 355.413 4.017 0 3 FIAF O=C1Nc2ccc(F)cc2[C@@](OCC=C(Cl)Cl)(C(F)(F)F)O1 6567505 QOXGBQKRBAJTJH-NSHDSACASA-N 360.090 4.439 0 1 FIAF O=C(Nc1csc(Cc2c(Cl)cccc2Cl)n1)NN1CCCC1 12354854 QGUKIFKSLJCBPZ-UHFFFAOYSA-N 371.293 4.173 0 1 FIAF Clc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1Cl 13582594 BOQORPXVPMXARS-UHFFFAOYSA-N 357.204 4.237 0 1 FIAF COC(=O)[C@@H](C)Oc1ccc(Oc2ncc3cc(Cl)ccc3n2)cc1 29242834 JZRDXVLGSMNBSY-LLVKDONJSA-N 358.781 4.016 0 1 FIAF CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccccc3OC)nnc1-2 34044426 RCTFEKPBUAMARW-UHFFFAOYSA-N 363.465 4.051 0 1 FIAF c1ccc(Nc2ncc(-c3ccnc(OC4CCCCC4)n3)s2)nc1 34804861 GNHNRVSQWNAGHC-UHFFFAOYSA-N 353.451 4.450 0 1 FIAF CCCN(C=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 36189589 XHPVQFBYVYPXDZ-SOUDSBKHSA-N 374.569 4.087 0 1 FIAF N[C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)c(F)c1 36310909 HTCIQWGNZAEQKI-NQIIRXRSSA-N 372.434 4.293 0 1 FIAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CO)C(C)C)co2)cc1 82069962 USFDPOGRNFFCAR-SFHVURJKSA-N 374.481 4.047 0 1 FIAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)c1c(Cl)cccc1Cl)C2 101324018 WEXGUXLSIINDOQ-NSHDSACASA-N 365.212 4.249 0 1 FIAF O=C(Nc1nc(-c2ccncc2)cs1)N[C@H]1CCCc2ccccc21 167631874 SHNMJZHMTYFQSN-INIZCTEOSA-N 350.447 4.404 0 1 FIAF Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)nn2)c1 169349550 JRXNFNFBMKDQMP-UHFFFAOYSA-N 362.429 4.357 0 1 FIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CN(C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 169368867 YXKNWBJKYNIVOY-CPDXTSBQSA-N 361.526 4.029 0 1 FIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(C(=O)O)CC4)cc3)cc12 216019728 PMWAEFNZWJUTTC-UHFFFAOYSA-N 355.777 4.303 0 1 FIAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccccc2)s1 253752238 KMHHAGQMYNMKGL-YMEFTFEPSA-N 365.498 4.454 0 1 FIAF O=C1c2ccccc2-c2cc(C[C@H]3CCCCC3=O)nc3ccc(O)c1c23 586989510 ABJVDQJOAOJUJW-CYBMUJFWSA-N 357.409 4.454 0 1 FIAF Fc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c(F)c1F 587008395 VBPZIOVAZVWLRD-UHFFFAOYSA-N 367.128 4.286 0 1 FIAF COc1cc(OC)c2[nH]c(Cc3nc(-c4ccsc4)oc3C)nc2c1 587026960 LFFSAVVOUZUPIK-UHFFFAOYSA-N 355.419 4.196 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@H]2Cc3nc4cccc5c4c(c3[C@H]2C1)CC5 587211979 JVPMCJUTICXPFM-HOCLYGCPSA-N 350.462 4.230 0 1 FIAF COC(=O)Nc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 587243469 MHHIVYXZWVHRQJ-UHFFFAOYSA-N 351.284 4.307 0 1 FIAF CN(C)CCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331124 ALSYMHUYNYHYMI-IRLDBZIGSA-N 371.452 4.381 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCN(C(=O)OC(C)(C)C)CC1)O2 587396710 VSTMLTSLGKLAOP-OAQYLSRUSA-N 374.481 4.092 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)nc1C)[C@@H](C2)C3=O 587422783 QQJBOMOJXBNBPM-UGSOOPFHSA-N 363.335 4.080 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c(O)nc1-c1ccccc1)CC2=O 587483557 MYNXZLRVUIJGHA-KRWDZBQOSA-N 364.401 4.147 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)O)c1CC)CC2=O 587487860 XVAVBASCGOMLJX-NRFANRHFSA-N 371.433 4.122 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC[C@H]3CO3)c1)CC2=O 587494547 YRRXCANUJXGCRB-AOMKIAJQSA-N 368.429 4.003 0 1 FIAF COC(=O)c1[nH]c(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587523284 HGFMBZHPYCZTGI-QFIPXVFZSA-N 367.445 4.178 0 1 FIAF O=C1C[C@@](C(=O)c2ccco2)(c2ccco2)Oc2c1ccc1c2CCCC1 587533278 PEFZARIDRUXAQI-QFIPXVFZSA-N 362.381 4.495 0 1 FIAF O=C(c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C1CC1 587622333 KPJATTTUTZDCOC-UHFFFAOYSA-N 354.154 4.337 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2F)N1 587730701 XRJSDCWLIHPHQM-BCTVWOGZSA-N 354.194 4.057 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(F)cc32)N1 587734896 SKAUQCKCGQLAOI-YPMLDQLKSA-N 364.233 4.451 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(cnn3C)c2)N1 587760749 QJSVNGRAZAWXLM-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 587784229 GGANVSMQSYRCBH-CHWSQXEVSA-N 371.234 4.269 0 1 FIAF CCc1noc(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792572 IYWZHMOINJGYFZ-XYZCENFISA-N 367.262 4.245 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nc[nH]c23)N1 587801255 FHOZUMDEJYAEEU-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]2OC2CCC2)N1 587813295 UJTIRBPGDXXZQU-YKJXYISPSA-N 354.263 4.049 0 1 FIAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)ccc1OCc1ccccc1 587944610 HGIXRRDEHYWVIG-QGZVFWFLSA-N 374.343 4.395 0 1 FIAF Ic1cnc2[nH]c(CC3CCCCCC3)nc2c1 587961831 YWUKOGWJMYZUOF-UHFFFAOYSA-N 355.223 4.075 0 1 FIAF Cc1cc2c(cc1F)C1(CCN(C(=O)c3ccccc3Cl)CC1)NCC2 962300869 RBLRXSTWOKIIPF-UHFFFAOYSA-N 372.871 4.065 0 1 FIAF C[C@@H]1[C@@H](NC(=O)C2CCCCC2)CC[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356499988 ODXYRJZINXUHHD-KEEXEAATSA-N 361.526 4.075 0 1 FIAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCc5ccccc5C4)[C@H]3C=C12 15885505 CMPHEFDKDPTBQF-WQZOKAKBSA-N 365.517 4.359 0 1 FIAF C[C@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1C1CCCCC1 20387527 WZCXCBOVSSXHBQ-HSZRJFAPSA-N 368.521 4.225 0 1 FIAF O=C(O)/C(=C/c1ccc(-c2cccc(Cl)c2)o1)NC(=O)c1ccccc1 28523191 IIWLYGZEWQUUIW-ATVHPVEESA-N 367.788 4.456 0 1 FIAF Cc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](c3ccccc3Cl)O2)cc1 28768389 NRXCPFBHZMFIAH-PMACEKPBSA-N 354.837 4.486 0 1 FIAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)coc2C=O)cc1 36477145 FMKWOVWYLDGGIZ-UHFFFAOYSA-N 368.385 4.461 0 1 FIAF Cc1nc(Nc2ccc(CCNc3ncnc4ccsc34)cc2)[nH]c1C 49033813 OPEMEJXYSKVLOB-UHFFFAOYSA-N 364.478 4.429 0 1 FIAF Cc1ccc2cc(-c3n[nH]c4ccc(NC(=O)C5CCOCC5)cc34)[nH]c2c1 66102282 SSOTUBJGKHKUND-UHFFFAOYSA-N 374.444 4.385 0 1 FIAF O=C(NCc1ccccc1)c1cnc(N2CCCCC2)nc1-c1ccccc1 82133402 PPZMDZBVCWFLGA-UHFFFAOYSA-N 372.472 4.064 0 1 FIAF COCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)ccc21 95561314 YTMDLHHXJUCLGT-UHFFFAOYSA-N 360.413 4.021 0 1 FIAF O=C(NC1CCCCC1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 95574271 OPBFVYPMEXZXBT-OAQYLSRUSA-N 369.484 4.185 0 1 FIAF COc1c2occc2c(-c2ccc(/C=C/C(=O)O)cc2)c2ccc(=O)oc12 95595302 DWPWDWDSLUASIU-XBXARRHUSA-N 362.337 4.313 0 1 FIAF 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0 1 FIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC1(C3)CC(C(=O)O)C1 587206534 LIIGWFUIVCGUOV-UHFFFAOYSA-N 369.420 4.416 0 1 FIAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)cc(C)c2[nH]1 587238159 BBYQIKCBLWBXNV-UHFFFAOYSA-N 359.227 4.100 0 1 FIAF CO[C@@H]1[C@H](C)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C 587356641 QUUWJSNLRVXYNJ-JYRDAUFZSA-N 370.420 4.320 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)c1cccc(C(F)(F)F)c1)O2 587383303 VWFTZEKQSMVRSC-SFHVURJKSA-N 363.335 4.203 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc3sccn13)CC2=O 587500728 VDKXMFMGOWOTTR-CYBMUJFWSA-N 362.838 4.414 0 1 FIAF CCOCCCN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C)C1 587517343 LFUDRWORVYRLKL-UZUQRXQVSA-N 371.521 4.038 0 1 FIAF CC(=O)c1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600735 CBHRJHJDNWJAIV-REWPJTCUSA-N 374.392 4.472 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc(Cl)c2)N1 587703272 GPAQSNUHKQXNAX-ABKXIKBNSA-N 369.665 4.434 0 1 FIAF Cc1nc2ccccn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587775794 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CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)OC)CN(C)[C@H]1C2 58475002 BOMVRTMBCWESTQ-QSFXBCCZSA-N 354.494 4.135 0 1 FIAF CC1=Nc2ncnn2[C@H](c2ccc(C)cc2)/C1=C(\O)OC1CCCCC1 103531132 CPGNRTBYQKVGCN-SELCWUDQSA-N 352.438 4.401 0 1 FIAF CCCN(CCC)CCCNc1ncc(C)c2c1c1cnccc1n2C 29393662 QRTLHPFCAOKWJW-UHFFFAOYSA-N 353.514 4.354 0 1 FIAF Cc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(F)cc3F)n2C)cc1 29125068 BRIKULTWAWUSQR-NMWGTECJSA-N 373.428 4.087 0 1 FIAF COc1cccc2c1CCC[C@H]2CCN1CCN(C2CCCCC2)CC1 22931085 SYWSXXBZIRUBHU-IBGZPJMESA-N 356.554 4.456 0 1 FIAF CCC[C@@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@H](C)O3 29133799 PGLJHEPEFVKHBP-WCQYABFASA-N 354.402 4.283 0 1 FIAF Cc1cc(C=C2C(C(=O)O)=NCC[C@@H]2O)c2c(C)ccc(C(C)C)cc1-2 2356795878 MOZCWBRWPVIUSL-IBGZPJMESA-N 351.446 4.205 0 1 FIAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@@]2(C)CO[C@@H](O3)O2)cc1 64574032 NGUSEKDHYWDTPQ-VQTJNVASSA-N 355.390 4.359 0 1 FIAF CN1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc(Br)c2)C1 36238010 AJFLQDIECOEENG-OAHLLOKOSA-N 366.686 4.428 0 1 FIAF O=C(N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1cccc(F)c1 45302723 KIPNWLFESMGNBV-INIZCTEOSA-N 369.827 4.036 0 1 FIAF Nc1cc(N)c2nc(-c3ccccc3)c(NCc3ccc(F)cc3)nc2c1 40939409 ZTKRLJYHHPMLPZ-UHFFFAOYSA-N 359.408 4.212 0 1 FIAF COC(=O)[C@@H]1C[C@]23C4=C(CC[C@@H]5CN[C@H]2[C@@H](C(C)C)CC[C@@]53C)CC[C@@H]41 197156758 ASJBAMFLUNNOSV-PQYFOXTFSA-N 357.538 4.326 0 1 FIAF CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc(C)c2)n1 82146722 QAWOWHRYRUPPCJ-CALCHBBNSA-N 366.509 4.026 0 1 FIAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccnc(-c4ccccc4)c3)nc2c1 84687154 WYLTXXROXQGYPA-UHFFFAOYSA-N 363.442 4.086 0 1 FIAF O=C(O)C[C@@H](c1cccc(-c2ccc3c(c2)OCCO3)c1)c1nccs1 221112713 CUHRKYMYZMTULM-INIZCTEOSA-N 367.426 4.188 0 1 FIAF COc1cc2c(cc1OC)[C@@H]1[C@@H](CO2)Oc2c(ccc3occc23)[C@H]1OC 238778454 LGJWBTKCQLVCIA-SFHLNBCPSA-N 368.385 4.075 0 1 FIAF COc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)c(=O)[nH]n2)cc1 95605607 WWRPDMSZEOBHLD-UHFFFAOYSA-N 351.406 4.240 0 1 FIAF CC[C@]12CCN(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 254124604 JRMZFWBHWGXMJV-PZJWPPBQSA-N 351.450 4.057 0 1 FIAF COc1ccc(-c2nc3ncccn3c2-c2nc3cc(C)ccc3[nH]2)cc1 473146893 DRIMEWAQXPNJBG-UHFFFAOYSA-N 355.401 4.257 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2n[nH]c3ccccc23)N1 587792198 HBIQWPPSKUOPIP-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccnc(Br)c2[nH]1 587028074 NMPXAVLCVFEEFZ-UHFFFAOYSA-N 360.240 4.147 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Cl)cnc2[nH]1)C1CCCC1 587225844 NBXORWQCZWXTEV-CYBMUJFWSA-N 350.850 4.367 0 1 FIAF C[C@@H]1CCCN(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 587760477 KKIYAKFQKSFTKB-SNUQEOBHSA-N 369.322 4.070 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1nccs1)CC2=O 587495704 PXJVAAXAMJBWGT-QGZVFWFLSA-N 354.431 4.298 0 1 FIAF Cc1cccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 587018985 DMCANQRKGOIMKU-UHFFFAOYSA-N 354.460 4.232 0 1 FIAF CC(C)Oc1cc2nc(-c3cncc(F)c3)[nH]c2cc1Br 587177252 SDDYSXFJXCUJEI-UHFFFAOYSA-N 350.191 4.314 0 1 FIAF Cc1ccncc1CC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585731 HGVKXOFYIUOGHW-AZUAARDMSA-N 361.397 4.059 0 1 FIAF COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587731744 ZKORARPRKPZSBX-HUTHGQBESA-N 368.221 4.360 0 1 FIAF C[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332915 GLLHVJYBNFAGPC-RBBKRZOGSA-N 363.388 4.388 0 1 FIAF COC(=O)c1cc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2cc1OC 587098598 UNIJGNXCKGWQTG-UHFFFAOYSA-N 368.286 4.183 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(Br)nc2[nH]1 587929836 MWPYKHXSHBXEMD-PIGZYNQJSA-N 358.239 4.174 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(F)cccc32)N1 587740518 XSGAJOROCLAMBX-MLCYQJTMSA-N 364.233 4.451 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(OC)cn1 587866167 WUYRDCOMHPPZFE-UHFFFAOYSA-N 363.339 4.360 0 1 FIAF CCOc1cc(C(C)=O)c(OCC)n1-c1cccc(C2=NC(C)(C)CO2)c1 587937009 ZXYVXCIVGOWFCJ-UHFFFAOYSA-N 370.449 4.033 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N2CCCCC2)N1 587764901 HHHZIGSBNFCCRR-YVEFUNNKSA-N 369.322 4.428 0 1 FIAF COc1ccc(-c2cccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2C)c(OC)c1 587928598 FQEBDGYTKRUBGF-UHFFFAOYSA-N 360.417 4.030 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cnc(-c4ccccc4)s1)[C@@H](C2)C3=O 587451287 MPKFPHWDUPHNTJ-BTYIYWSLSA-N 363.438 4.482 0 1 FIAF O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccc(OC(F)(F)F)cc1 587210274 MHYQQZBYXOGONW-UHFFFAOYSA-N 372.346 4.413 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCSc4cc(C)c(C)cc41)[C@@H](C2)C3=O 587452382 MIHSHRMKOFTJDQ-HRAATJIYSA-N 352.455 4.451 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cccc(F)c12 587566737 AIYXZGADJRYXEM-KNQAVFIVSA-N 362.356 4.335 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1C)CC2=O 587464230 LYAPOQVMYXEKHK-CQSZACIVSA-N 368.355 4.112 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ncc(C(F)(F)F)cc31)O2 587383833 WNZQNLNYEODZAR-GOSISDBHSA-N 362.351 4.188 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3cnn(C)c3c1)CC2=O 587478757 SWMKYXDASJXCBS-NRFANRHFSA-N 350.418 4.112 0 1 FIAF CN[C@@H](c1cccnc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587222965 MPCSAZMLLRNWSO-LBPRGKRZSA-N 374.288 4.304 0 1 FIAF Cc1ccc2c(ccc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c32)n1 587041739 PBVLEGIRYPDZDR-OALUTQOASA-N 360.486 4.366 0 1 FIAF Cc1ccc2[nH]nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587791084 FFCLRPTUKCSJJA-XTZNXHDOSA-N 374.257 4.397 0 1 FIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(Cl)c(Cl)cnc2[nH]1 587174896 NOVFCSNQBNEUPR-LLVKDONJSA-N 364.211 4.128 0 1 FIAF CCOC[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587809391 RGZCFKHNDVENLG-PLQHRBFRSA-N 356.279 4.154 0 1 FIAF CCCCC[C@@]1(CCCC(=O)O)NCCc2cnc3c(OC)cccc3c21 963054591 IICAULSALGRBDG-QFIPXVFZSA-N 370.493 4.420 0 1 FIAF CC1CCN(C(=O)C[C@]2(C)NCCc3cccc(-c4ccccc4)c32)CC1 962663806 GXGVBASCOJENSU-DEOSSOPVSA-N 362.517 4.363 0 1 FIAF CCn1c([C@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)nc2ccccc21 962639127 YADMTRAHCPXJFL-LHSJRXKWSA-N 365.477 4.039 0 1 FIAF C[C@@]1(c2ccc(O)cc2F)c2cccc(F)c2CCN1[C@@H]1CCSC1 962697780 HZWMQZLRQIARPD-XCLFUZPHSA-N 361.457 4.298 0 1 FIAF Cc1cc(Nc2cc(C)on2)nc(NCc2cc(-c3ccccc3)no2)n1 203005916 FKQJDIYDGWPSOT-UHFFFAOYSA-N 362.393 4.092 0 1 FIAF c1ccc(N2CCN=C2c2ccc(C3=NCCN3c3ccccc3)cc2)cc1 1857568065 KYODUKMDIQJBCW-UHFFFAOYSA-N 366.468 4.220 0 1 FIAF CSc1ccc([C@@H]2SCC(=O)N2c2ccc3oc(=O)ccc3c2)cc1 1857579821 VIPFRQXJBJUMLE-IBGZPJMESA-N 369.467 4.294 0 1 FIAF Cc1cc(C(=O)N2CCCC[C@@H]2C)c2c(C)nn(-c3cccc(F)c3)c2n1 7003685 XGSDLZYXXUDTNB-AWEZNQCLSA-N 366.440 4.191 0 1 FIAF Cc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)[C@@H]2N3C)c1C 13470190 UHTNKHARCXSTEU-IRLDBZIGSA-N 365.477 4.283 0 1 FIAF CN(C)CCSc1nc2ccccc2c2c1CCOc1ccccc1-2 13742143 RBSAECWKODMNRM-UHFFFAOYSA-N 350.487 4.490 0 1 FIAF COc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@H](c1ccccc1)O2 14819371 DPWCTCFTFSFYCZ-MRXNPFEDSA-N 354.402 4.322 0 1 FIAF biogenic N[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12 14957382 SGHXFHRRWFLILP-XJDXJNMNSA-N 370.456 4.077 0 1 FIAF in-vivo Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)s1 36126952 LBOBDIFHWJHTNO-UHFFFAOYSA-N 364.879 4.086 0 1 FIAF N[C@@H](CCNCc1ccc(-c2cccnc2)cc1)Cc1ccc(F)c(F)c1 45194714 RSBPMUGQIOWITD-FQEVSTJZSA-N 367.443 4.077 0 1 FIAF CC[C@@]1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2c(F)ccc(F)c21 49111675 GLIMMVXYYUCCNV-QGZVFWFLSA-N 372.820 4.480 0 1 FIAF Nc1ccc2nc(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)[nH]c2c1 66111982 JWGNQISTDIVSME-UHFFFAOYSA-N 365.400 4.232 0 1 FIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccccc3Cl)ccc12 96905955 RLSAZPAKCPDUGO-IBGZPJMESA-N 370.861 4.269 0 1 FIAF COc1ccccc1[C@@]1(N2CCN(c3ccccc3)CC2)[C@H]2C[C@H](C)C[C@H]21 101511246 KETIGQXUUQTJJR-QVAYLADUSA-N 362.517 4.389 0 1 FIAF Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3cccs3)cc12 146443138 MHGOCLWWCJAOJU-UHFFFAOYSA-N 372.457 4.180 0 1 FIAF CC(=O)O[C@H]1C=C(C)CCC=C(C)[C@H](O)C[C@@H](C(C)C)C=C[C@@](C)(O)C1 253666564 CLLDSYFHQCFUQA-FNAHDJPLSA-N 364.526 4.325 0 1 FIAF Cc1c(Br)ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 586907540 MMRXSYASBDWLEM-JTQLQIEISA-N 359.223 4.215 0 1 FIAF Cc1cnc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)n1 586987810 GVOPSVNSTHUPBT-UHFFFAOYSA-N 353.381 4.226 0 1 FIAF COC(C)(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352790 XQJBYQTWDOLFFX-GHTZIAJQSA-N 358.409 4.464 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(F)cc3C)CC1)O2 587385497 OKEPSKUKDJIZEC-UHFFFAOYSA-N 354.425 4.029 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)c(F)c1)[C@@H](C2)C3=O 587418216 BHWFFCOAVJDCEB-GTNSWQLSSA-N 352.283 4.342 0 1 FIAF COc1cc2c3c(c1)O[C@@H]([C@H]1CC=C(CCCC(C)(C)O)CC1)[C@@H](C2)C3=O 587451101 OOLIQIFDFALZGM-VPKVUBIPSA-N 370.489 4.479 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccn1)(c1ccccc1N)CC2=O 587472536 JIIDNFZKUWNJQU-QHCPKHFHSA-N 374.440 4.231 0 1 FIAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1OCCO 587526508 XVYBFGKTFZHUPT-OAQYLSRUSA-N 366.457 4.260 0 1 FIAF Cc1ccnc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587589398 VLAMONPLQPXSTR-SIKLNZKXSA-N 361.397 4.059 0 1 FIAF CC(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601135 FAFWZQSHGRISTR-REWPJTCUSA-N 374.392 4.472 0 1 FIAF Cc1nc2ccccn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587775791 UEQXCBMFXIDRSC-BMLIUANNSA-N 374.257 4.168 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccs1 587865171 YTOZFYQKKYSISH-UHFFFAOYSA-N 352.337 4.328 0 1 FIAF Cc1ccc2c(c1)C(=O)[C@@]1(NCCc3ccc(O)cc31)[C@H](c1ccccc1)O2 963342702 SCZSXZZTNRNYDT-BJKOFHAPSA-N 371.436 4.058 0 1 FIAF CC(C)(C)c1ccc(OCCn2ccc3ccc(OCC(=O)O)cc32)cc1 1772647358 CLMJAYQYMYHKCT-UHFFFAOYSA-N 367.445 4.481 0 1 FIAF O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1nccs1 1772647601 WRPKJOAKDSVTBN-UHFFFAOYSA-N 353.472 4.143 0 1 FIAF CC(C)c1c(O)nc(=O)n(COCc2ccccc2)c1CC1CCCCC1 1772656289 QQGBGPIMHUXJGM-UHFFFAOYSA-N 370.493 4.369 0 1 FIAF COc1ccc2[nH]c(-c3cccc(N4CCc5ccccc5C4)n3)nc2c1 1857565084 FVDILLFKFXBKPD-UHFFFAOYSA-N 356.429 4.196 0 1 FIAF CC(C)CNC(=O)[C@]1(C)CCCCCN1C(=O)c1cc2ccccc2s1 61929779 OFZQTNNQACNLCH-NRFANRHFSA-N 372.534 4.448 0 3 FIAF O=C1CN(C(=O)c2cccs2)[C@@H](c2ccccc2)c2cc(F)ccc2N1 2456722 PFMMPLHRXBEIFX-IBGZPJMESA-N 366.417 4.071 0 1 FIAF COc1cc2nncc(-c3cnc(NC(C)C)c(C4CC4)c3)c2cc1OC 59047316 YDTVWFQPUJGIKV-UHFFFAOYSA-N 364.449 4.407 0 1 FIAF c1ccc(N2CCN([C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)nc1 100788547 SYZHMHDRCWEOQG-KDURUIRLSA-N 360.505 4.411 0 1 FIAF Cc1cc(-c2cccnc2)cc(C)c1/C=C/c1cncc(-c2nnn[nH]2)c1 28604391 XISWHAJPBGFBAF-AATRIKPKSA-N 354.417 4.111 0 1 FIAF CCCCOC[C@H]1O[C@@H](CCC)C(=O)[C@@H](OCCCC)[C@@H]1OCCCC 28901139 KBDIMTKFXPLSPF-UYWIDEMCSA-N 372.546 4.310 0 1 FIAF CC[C@@H]1C(=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 2356752562 YIGHZHOPCWHUCU-FAXSOLJJSA-N 359.554 4.055 0 1 FIAF CC1=C[C@@H]2C=CCCCC(=O)CCC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]3[C@H]1C 2356796501 NHXHMKDKPKQGQT-FNPBXLBMSA-N 371.521 4.004 0 1 FIAF CC1=C[C@H](CNC2CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356854298 RNKJZGUSKFXGOD-NSHGMRRFSA-N 366.509 4.281 0 1 FIAF COc1ccc(C[C@H](C)[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)cc1OC 14646585 SRJOMSFZTGEQFM-LSDHHAIUSA-N 372.461 4.419 0 1 FIAF biogenic COc1cc(O)cc([C@@H]2CCc3c(O)cc(O)c(CC=C(C)C)c3O2)c1 14762572 HGORYRLTYUTUHO-FQEVSTJZSA-N 356.418 4.387 0 1 FIAF biogenic COc1ccc2oc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)c2c1 45353303 ZRQWVJYNWJOWIP-UHFFFAOYSA-N 356.374 4.007 0 1 FIAF O=Cc1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1 49808387 YUCASWOVTLWWMX-UHFFFAOYSA-N 368.285 4.469 0 1 FIAF COc1cccc([C@H](C)Nc2cc(-c3cc(F)ccc3OC)ncn2)c1 82162201 CLJMNACWOFEJGX-ZDUSSCGKSA-N 353.397 4.473 0 1 FIAF FC(F)(F)c1c(N2CCc3ccccc3C2)ccn2c(CC3CC3)nnc12 95579899 NHWGHJUHFDUWQN-UHFFFAOYSA-N 372.394 4.263 0 1 FIAF O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nc(Cl)c2Cl)C1 95565332 DELZVBUTDRXRBU-UHFFFAOYSA-N 365.047 4.153 0 1 FIAF Cc1nc(C(=O)Nc2cc(-c3ccnc4[nH]ccc34)cc3[nH]ncc23)cs1 95564466 ADAJQVJOFYMYEA-UHFFFAOYSA-N 374.429 4.123 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@H](O)[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]21C 257397903 COFSRJDBTTZNBZ-JMJYCXOHSA-N 364.526 4.015 0 1 FIAF endogenous,in-man O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1 2382245532 DXGNRZUGRHMVGM-UHFFFAOYSA-N 352.825 4.320 0 1 FIAF CCOC[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587809388 RGZCFKHNDVENLG-BTJLNZGRSA-N 356.279 4.154 0 1 FIAF COC(=O)Nc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cn1 587245529 VEMDVAALFDXCTM-UHFFFAOYSA-N 372.384 4.034 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCOC1 587859255 UQOJOHSJUIMPAB-LLVKDONJSA-N 369.248 4.322 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2)N1 587826302 AASPKCMUCASAIS-QGHHPUGFSA-N 350.231 4.092 0 1 FIAF Cc1cccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n[nH]c12 587798676 VCPYXBMKFSAHBX-XTZNXHDOSA-N 374.257 4.397 0 1 FIAF CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C 587354554 UYJSBQQYEKYQQX-XQBPLPMBSA-N 370.420 4.464 0 1 FIAF CCN(CC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587431217 ZVNSNGHQHBZIEO-VGOFRKELSA-N 367.445 4.039 0 1 FIAF Cn1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C(F)(F)F 587503841 DAJYGRMJMBQSOA-HNNXBMFYSA-N 350.340 4.024 0 1 FIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cnc3ccccc3c2[nH]1 587079251 IDWYNPIMBOYEMM-OAHLLOKOSA-N 361.836 4.488 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)nc2)N1 587704899 KZWHXVVBAWSIBK-AYVTZFPOSA-N 355.638 4.260 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(-c3ccncc3)nc1C)O2 587414275 SYQYAPIQXXVVFP-FQEVSTJZSA-N 365.458 4.285 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccn1)C1CC1 587589654 WOJAHEJMHHMAPI-NZQKXSOJSA-N 373.408 4.140 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cn3cc(Cl)ccc3n1)CC2=O 587458696 AQFFCQQMRQJPTG-QGZVFWFLSA-N 356.809 4.352 0 1 FIAF COc1ccc2c(c1)[C@H](c1nc(C)sc1Br)N[C@H]1CC[C@H]21 962998764 VUGCIFNEWICWCY-KWCYVHTRSA-N 365.296 4.161 0 1 FIAF Cc1ccc(C)c(C[C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962659310 FCOGGPYXLJKJMU-XUZZJYLKSA-N 374.484 4.234 0 1 FIAF Cc1ccc(Oc2ccc([C@@H]3NCCc4c3c(C(C)C)nn4C)cn2)cc1 962916211 JDMPSCCIRHVQHW-QFIPXVFZSA-N 362.477 4.274 0 1 FIAF C[C@@]1(c2cccc(N3CCOC3=O)c2)c2c(F)cccc2C[C@@H]2CCCN21 963117494 WXCJNVJWQORHEN-PGRDOPGGSA-N 366.436 4.066 0 1 FIAF COc1ccc(-c2nc(N3CCOCC3)sc2Cc2ccccc2)cc1 115806749 CZTOCJASUYVQRP-UHFFFAOYSA-N 366.486 4.246 0 1 FIAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@H](C)[C@@H](C)C(=O)O)cc1 13756187 PFLDPOZALLKJHW-HZPDHXFCSA-N 365.477 4.483 0 1 FIAF COc1c(O)c2c3c(nccc3c1OC)C(C)(C)c1cc(O)ccc1O2 15263111 MVYFJQYVHACOHU-UHFFFAOYSA-N 353.374 4.095 0 1 FIAF biogenic Cn1c(=O)c2nc(-c3ccc(Br)cc3)oc2c2ccccc21 2959720 OZINDQXZVHDWHP-UHFFFAOYSA-N 355.191 4.109 0 1 FIAF CCCN(CC1CC1)c1cc([C@@H](O)c2c(C)cc(C)cc2C)nc(C)n1 28360883 DVFGPILWBIGEPI-JOCHJYFZSA-N 353.510 4.418 0 1 FIAF O=C(CCc1ccccc1)c1ccc(OC(F)F)c(O[C@H]2CCOC2)c1 40860163 CPRRZYUTSOZMLR-INIZCTEOSA-N 362.372 4.271 0 1 FIAF Clc1ccc(-n2ccc(OCCN3CCCCCC3)n2)cc1Cl 95557577 WHJIAAIKDYFQQA-UHFFFAOYSA-N 354.281 4.434 0 1 FIAF COc1ccc(Oc2c(Cl)c(OC)nn(-c3cccc(C)c3)c2=O)cc1 95560233 OETGJXDTWBSWLY-UHFFFAOYSA-N 372.808 4.004 0 1 FIAF c1ccc(N2CCN([C@H]3CC[C@@H](c4c[nH]c5ccccc54)CC3)CC2)nc1 100788526 SYZHMHDRCWEOQG-WGSAOQKQSA-N 360.505 4.411 0 1 FIAF CN[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 102790395 CRQMEYFYUWHDBW-XMMPIXPASA-N 363.870 4.022 0 1 FIAF CC(C)[C@@H]1CCC2=C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(CO)(CO)CO)C1 103274466 IRVNVNCXKHMXAF-CIQXWFTPSA-N 364.570 4.309 0 1 FIAF Cc1nc2cc(OC(C)C)ccc2n1-c1ccc(C(=O)NC2CC2)s1 169701628 QJLVGSFMSOPURN-UHFFFAOYSA-N 355.463 4.075 0 1 FIAF COc1cncc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 218343779 LFEBZBRJSBXUTC-FQEVSTJZSA-N 358.401 4.003 0 1 FIAF Cc1ccnc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc12 586958525 FQPYILHHPZCQOU-AREMUKBSSA-N 361.470 4.305 0 1 FIAF CCOc1cc(/C=C\c2nc3cccnc3[nH]2)cc(Br)c1OC 586977268 DPEFETXPQIDXOK-SREVYHEPSA-N 374.238 4.298 0 1 FIAF Cc1c(CC(=O)C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985983 IWHPTMBDUFAMMG-UHFFFAOYSA-N 371.314 4.134 0 1 FIAF O=C1c2ccccc2-c2c(Cc3cncc(F)c3)cnc3ccc(O)c1c23 586988798 RBINAZNIUMXMPB-UHFFFAOYSA-N 356.356 4.277 0 1 FIAF CC(C)Oc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587006521 MKAIOUDJASMUNF-UHFFFAOYSA-N 371.238 4.427 0 1 FIAF Fc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c(F)c1F 587117354 GFECTGVBNAMFDR-UHFFFAOYSA-N 360.261 4.121 0 1 FIAF CC(C)OC(=O)C1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC(F)(F)C1 587130656 NJXJWOBCTBKKGJ-UHFFFAOYSA-N 363.191 4.488 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(Cl)ncc2[nH]1 587166873 CKKKUFGTORBRFR-AWEZNQCLSA-N 359.792 4.119 0 1 FIAF C=CC(=O)Nc1ccc(-c2nc3c(Br)cc(C)cc3[nH]2)cc1 587244324 OQKMZRFPQDPBLG-UHFFFAOYSA-N 356.223 4.425 0 1 FIAF COC(C)(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352792 XQJBYQTWDOLFFX-RXVVDRJESA-N 358.409 4.464 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(Cc3ccco3)c1C)O2 587390483 QIRSGSWLVGGQAO-HXUWFJFHSA-N 350.418 4.343 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCN(C(=O)OC(C)(C)C)CC1)O2 587396708 VSTMLTSLGKLAOP-NRFANRHFSA-N 374.481 4.092 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(C)s1)[C@@H](C2)C3=O 587452191 MSCQNSXIBFDVTP-MGPLVRAMSA-N 365.248 4.316 0 1 FIAF O=C1C[C@@](C(=O)O)(c2ccc(Cl)s2)Oc2c1ccc1c2CCCC1 587533512 WNVZWSMEZVJEIO-SFHVURJKSA-N 362.834 4.226 0 1 FIAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1C 587611397 IMBKLZIQHUUGCA-CRAIPNDOSA-N 353.399 4.168 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc(Cl)c2)N1 587703275 GPAQSNUHKQXNAX-JDNHERCYSA-N 369.665 4.434 0 1 FIAF Cc1ccc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2c1 587771187 BPDUYMLLWXOAOM-ADLMAVQZSA-N 374.257 4.168 0 1 FIAF COc1ccc(C)cc1C(=O)CCc1nc2cc(C(F)(F)F)ncc2[nH]1 587788100 VWIOZENWHGWRPH-UHFFFAOYSA-N 363.339 4.109 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cccc(Br)n1 587869944 VOSYNDDHPDKOJY-UHFFFAOYSA-N 362.202 4.235 0 1 FIAF COc1ccc([C@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1C 962573560 SNBIYAGTXNPTCX-IVZQSRNASA-N 355.478 4.161 0 1 FIAF CC(C)c1nn(C)c2c1[C@@](c1ccc(F)cc1F)(C1CCCC1)NCC2 962922895 RLPIVYZDCDTLCH-NRFANRHFSA-N 359.464 4.401 0 1 FIAF CN1CCc2c(Br)cccc2[C@]12CCCc1cccc(N)c12 963279885 KPNLRPVORSYFBF-IBGZPJMESA-N 357.295 4.099 0 1 FIAF Cc1cc2c(cc1O)[C@@H](c1ccc(C3CCCC3)cc1)N[C@H](C(=O)O)C2 963528584 UMCAYTYRZWBSRC-PZJWPPBQSA-N 351.446 4.047 0 1 FIAF CCN(CC)CCNC(=O)c1cc(-c2ccsc2)nc2ccccc12 1239508544 BGEDCPJGCKIXJT-UHFFFAOYSA-N 353.491 4.035 0 1 FIAF CCCN1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 1911575873 KZQKTOIHFUGYOJ-GOSISDBHSA-N 359.267 4.203 0 1 FIAF CCCCCC=CC[C@H](O)[C@H](C=C[C@@H]1CC=CCCCC(=O)O1)OC 2356378530 NGVOPKDYDKTASH-UFYCRDLUSA-N 350.499 4.487 0 1 FIAF O=C1N(c2cccc(F)c2)CC[C@]12CCN(Cc1cccc(Cl)c1)C2 2382246436 ZWROPRAKOSXHJW-FQEVSTJZSA-N 358.844 4.108 0 1 FIAF CN(C)c1ccc(-c2csc([C@@](C)(O)c3ccc(F)c(F)c3)n2)cc1 61929301 PHWDFGIENUNJSU-IBGZPJMESA-N 360.429 4.410 0 3 FIAF CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NC1CCCCC1 25429438 BYCCHNRJBJTSNX-AEFFLSMTSA-N 374.500 4.153 0 1 FIAF biogenic CCCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)n1 26668113 TXGAAWDMNDSBHY-UHFFFAOYSA-N 364.471 4.083 0 1 FIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3CCC3)CN(C)[C@H]1C2 27518935 BQSCTKYJXPGTLS-BSIFCXSSSA-N 366.505 4.278 0 1 FIAF C[C@H](Nc1nccc(NCCOc2ccc(F)cc2)n1)c1ccccc1 28363056 NBZYCPZRCDIPCI-HNNXBMFYSA-N 352.413 4.280 0 1 FIAF COc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1 28569706 ZLTZGADBISMZKB-UHFFFAOYSA-N 370.334 4.486 0 1 FIAF CC(=O)OC[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(C)=O 40449724 ZJNYSXYHIAEESM-IXEBNVAOSA-N 374.521 4.059 0 1 FIAF CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@@]2(C)C1 43074393 MFQJDZJMASAALQ-BJKOFHAPSA-N 358.485 4.319 0 1 FIAF in-vivo Nc1nc(-c2nnc(S)n2-c2ccc(Oc3ccccc3)cc2)cs1 96916126 CEGOIQFEJZEZDB-UHFFFAOYSA-N 367.459 4.054 0 1 FIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@H]2Cc1c(O)ccc(O)c1C=O 238762878 ASIYDTZMRHYFMC-BLKABHOGSA-N 360.494 4.446 0 1 FIAF Cc1ccc(Sc2ccccc2N2C[C@@H](C)N(CC(=O)O)C[C@H]2C)cc1 261135455 LYXNCDUSNBFCIB-IAGOWNOFSA-N 370.518 4.130 0 1 FIAF O=C1C[C@@H](Sc2ccc(F)c(Cl)c2)N1C(=O)NCc1ccccc1 299867644 QLUQLXBPYSWDDU-MRXNPFEDSA-N 364.829 4.039 0 1 FIAF Fc1cc2[nH]c(Cc3csc(-c4ccco4)n3)nc2cc1-n1cccn1 587018245 WXMYFQWOUNBMJB-UHFFFAOYSA-N 365.393 4.195 0 1 FIAF C[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)n1cc(Cl)cn1 587079337 IYIISKFUUKVYQD-ZCFIWIBFSA-N 360.042 4.438 0 1 FIAF FC(F)(F)COc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)ccn1 587090990 DJNWYWCAIKICGN-UHFFFAOYSA-N 363.126 4.268 0 1 FIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(F)c4[nH]3)cc2N1 587126144 WAARWPDLMHMCBL-KBUNVGBDSA-N 357.286 4.012 0 1 FIAF Fc1ccc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587167909 ATYCVJOPJZCAED-UHFFFAOYSA-N 361.245 4.330 0 1 FIAF NC(=O)Nc1cccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587242411 RZRMJUCCTFINHA-UHFFFAOYSA-N 352.341 4.332 0 1 FIAF CC[C@@H](C)Oc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401471 RGYMLNDAWPTALJ-YJYMSZOUSA-N 355.434 4.470 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(Cl)cc4)c1)[C@@H](C2)C3=O 587421333 LXHCBIUCVGIXJB-OXJNMPFZSA-N 366.804 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(Br)c1F)[C@@H](C2)C3=O 587426127 LMUZVTRKLOCLTE-APPDUMDISA-N 363.182 4.086 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cn(C(C)(C)C)nc1C(C)C)[C@@H](C2)C3=O 587432110 NDRWTDWPDKRZBL-XOBRGWDASA-N 354.450 4.259 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cnc(-c4ccccc4)s1)[C@@H](C2)C3=O 587451288 MPKFPHWDUPHNTJ-YCRPNKLZSA-N 363.438 4.482 0 1 FIAF C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567804 CEHPQVAUSPVWPJ-WIYYLYMNSA-N 350.345 4.408 0 1 FIAF C[C@@H]1CC(C)(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587605299 YRPQCUCJDJGYIN-BUTRMIIQSA-N 366.413 4.118 0 1 FIAF COC(=O)c1cccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)c1 587631425 LUQOQHLOUOELHR-UHFFFAOYSA-N 360.772 4.308 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(O)cc2F)N1 587723122 VLCVODBOCYOWIE-QZTNRIJFSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2F)N1 587725136 BMTAEOAUWMNHBY-XLFHBGCDSA-N 368.221 4.231 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Cl)cc2F)N1 587731261 YQSNMADGNDQZCV-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF COC[C@@]1(C2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792644 LSRGVQGALYMHEK-GTNSWQLSSA-N 356.279 4.154 0 1 FIAF CC(=O)CC[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587815111 YNZORHPIMRTJFT-DIFFPNOSSA-N 356.279 4.343 0 1 FIAF COc1ccccc1CC(=O)c1nc2c(C)cc(Br)cc2[nH]1 587928757 BZZBXNOASZAHAU-UHFFFAOYSA-N 359.223 4.068 0 1 FIAF CCOC(=O)Cc1ccc2nc(CCC(=O)c3ccc(CC)cc3)[nH]c2c1 587956418 AUGCQZDCGTYOGR-UHFFFAOYSA-N 364.445 4.046 0 1 FIAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2nc(-c3ccccc3)oc12 1772647038 NFCSPURXUYWIRX-UHFFFAOYSA-N 367.792 4.400 0 1 FIAF Cc1ccc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c(F)c1 1857572230 AHRDHDBNZVWQLM-QHCPKHFHSA-N 373.431 4.041 0 1 FIAF CC(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](C)c3ccoc3C[C@@H]2[C@]2(C)CCCC(C)(C)[C@@H]12 2356472452 YFPBRZZBJVPWPJ-MCYNZMSBSA-N 360.494 4.310 0 1 FIAF CC(=O)OCC(=CCO)[C@@H]1C[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 2356527646 FGEVYIKISBOJQP-WODKUCBQSA-N 364.526 4.258 0 1 FIAF COc1cccc(C[C@@H]2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)c1 2382248135 CHPQNFHJWUBDNH-JKFKMHIGSA-N 365.517 4.000 0 1 FIAF CN(Cc1ccno1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 13593975 WSHWQPGKVJAWQD-UHFFFAOYSA-N 374.444 4.499 0 3 FIAF O=S(=O)(c1ccc(F)cc1)N1CCCc2nc(-c3ccccc3)ccc21 199725778 NKLKIMQBBUIJAZ-UHFFFAOYSA-N 368.433 4.029 0 3 FIAF COc1ccc(CN2C(=O)[C@H](n3c(C)ccc3C)c3cc(F)ccc32)cc1 206028822 UQGWBWHTVLKOHJ-OAQYLSRUSA-N 364.420 4.389 0 3 FIAF CCCCCCN(C)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 2499666 GKYBGVKSYGFIGG-UHFFFAOYSA-N 368.456 4.477 0 1 FIAF CC1(C)C[C@@]2(C[C@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)NC(=O)N1 4671249 CUNYRZOIZZZCMK-VLIAUNLRSA-N 372.852 4.138 0 1 FIAF c1ccc(-c2cccc(CN3CCN(c4cccc5c4OCO5)CC3)c2)cc1 26396117 SDVHBQOFRVWVQH-UHFFFAOYSA-N 372.468 4.405 0 1 FIAF O=C(Cn1ccnc1)c1ccc2c(c1)Cc1cc(Br)ccc1-2 29341550 AIBFKFHRYMQFEY-UHFFFAOYSA-N 353.219 4.100 0 1 FIAF CC(C)=CCc1cc(C[C@@H]2OC(=O)C(O)=C2c2ccc(O)cc2)ccc1O 2356743317 SDUGYQDMSWYSGN-IBGZPJMESA-N 366.413 4.044 0 1 FIAF O=C(Cc1ccc2c(c1)C(=O)c1ccccc1CO2)OCc1ccccc1 39207927 KUACUGPNAMVMDW-UHFFFAOYSA-N 358.393 4.096 0 1 FIAF Clc1cc(Br)c2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 313722217 AVIGVMUHMDHXTG-ZDUSSCGKSA-N 365.614 4.491 0 1 FIAF CCCCCCC(=O)OC[C@]1(CO)C/C(=C/[C@H](CC)CCCC)C(=O)O1 40914985 YFGRZJGPRQXMTL-OPWVODLQSA-N 368.514 4.321 0 1 FIAF COc1cc(CNc2cc(-c3cccc(C)c3)ncn2)cc(OC)c1OC 82162095 OXCUZXKOWLBWMM-UHFFFAOYSA-N 365.433 4.090 0 1 FIAF CN(C)CCCc1c2c(nc3ccccc13)-c1cc3ccccc3c(=O)n1C2 40403693 FRTUHOBKPCYQOT-UHFFFAOYSA-N 369.468 4.073 0 1 FIAF COc1ccc(F)cc1-c1cccc(-c2nn(CCCCF)c(=O)o2)c1 98082218 BNLMRYWTGDBUPQ-UHFFFAOYSA-N 360.360 4.068 0 1 FIAF Cc1c(-c2nc3c(C)ccc(C)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029219 KETMPHWCYGNXBJ-UHFFFAOYSA-N 350.447 4.329 0 1 FIAF COc1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2cc1OC 586975332 AMRAJPKJKDVFHC-UHFFFAOYSA-N 361.239 4.242 0 1 FIAF Cc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1C 587145316 WKDFWWDVLCGIIA-AWEZNQCLSA-N 362.246 4.324 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(F)cccc32)N1 587740517 XSGAJOROCLAMBX-MGNBDDOMSA-N 364.233 4.451 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(F)cc(F)c31)CC2=O 587472451 QTPHCUFYRYIICX-FQEVSTJZSA-N 360.356 4.266 0 1 FIAF Cc1ccnc2[nH]c(-c3cc(I)ccc3Cl)nc12 587183609 ZHGHXMXQCNSJMK-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCOc4c(C)cc(Cl)cc41)[C@@H](C2)C3=O 587419452 FCYDCJKPTSYPGC-VBKZILBWSA-N 356.805 4.082 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2CCO)[C@H]1c1ccc(F)cc1 587352659 LOGCNAHORFVRLX-PDXHDDNESA-N 370.420 4.202 0 1 FIAF Fc1ccc(-n2nnc(-c3nc4cnc5ccccc5c4[nH]3)c2C2CC2)cc1 587168245 GTSDRTNVSGQPAL-UHFFFAOYSA-N 370.391 4.375 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCOc4c(C)cc(C)cc41)[C@@H](C2)C3=O 587454730 WLCOWIWREZAFEM-KSFYIVLOSA-N 350.414 4.128 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3ccnc(Br)c3[nH]1)CC2 587937303 JXDBQAYHQAEAIC-NSHDSACASA-N 358.239 4.002 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(C)c(Cl)c1)O2 587374845 KAUGKYYVTDEHCA-FQEVSTJZSA-N 372.852 4.292 0 1 FIAF CC[C@]1(c2ccc(F)cn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587729288 GQUDUELBXIDLQL-DYZYQPBXSA-N 367.237 4.310 0 1 FIAF Cc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1F 587042472 KSQRWHIYBWSOEB-HNNXBMFYSA-N 361.829 4.319 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CC3(CCC3)C2)N1 587817011 HFXPBMCLCPAHGA-ADLMAVQZSA-N 366.274 4.241 0 1 FIAF CN(C)CC[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587529687 BBPUUUKSOMANBP-OAQYLSRUSA-N 355.503 4.439 0 1 FIAF Fc1cc(F)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 587126519 CERXZLJDUJCNDR-UHFFFAOYSA-N 354.238 4.283 0 1 FIAF Cc1cccnc1C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587767826 BGANPYJEGUWUEE-SGTLLEGYSA-N 363.274 4.284 0 1 FIAF CC(=O)N[C@@H](Cc1nc2ccc(OC(C)C)cc2[nH]1)c1ccc(C)cc1 587216606 HCYUKRFULXRKOJ-IBGZPJMESA-N 351.450 4.078 0 1 FIAF CCCn1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587762107 DHUDNOMHYRWILU-DYZYQPBXSA-N 366.278 4.127 0 1 FIAF Oc1nc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cs1 587017711 NWTANDJIKORDPD-UHFFFAOYSA-N 353.247 4.430 0 1 FIAF CC[C@@]1(c2ccc([C@@H](C)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441889 ULIOYRVKYNOQMX-XJDIIYGHSA-N 352.430 4.456 0 1 FIAF Nc1cc(Cl)ccc1[C@@]1(c2ccccc2)NCCc2ccc(O)cc21 963354949 ZIVYOPYFMOEVFO-OAQYLSRUSA-N 350.849 4.065 0 1 FIAF Cc1cccc2cc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)[nH]c12 962730783 PDEKZIBXTLABEZ-FUHWJXTLSA-N 358.363 4.211 0 1 FIAF CCN(CC)CC[C@H](c1ccc(OC)cc1)c1c(O)cc(OC)cc1OC 13661528 NRMUJDFMXOHIAZ-LJQANCHMSA-N 373.493 4.282 0 3 FIAF Cc1cc(=O)oc2cc(OCCCCCCCCn3cncn3)ccc12 1857652485 UCSWIYOSJRXPDJ-UHFFFAOYSA-N 355.438 4.113 0 1 FIAF CC(=O)COc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1 13684439 NMDWFWYMBJVIQE-UHFFFAOYSA-N 370.412 4.169 0 1 FIAF COc1cccc2c1[C@H](OC)O[C@@]21Oc2cc(C)cc3ccc(O)c1c23 2356327524 CDINCUXIOCIGMM-RTWAWAEBSA-N 350.370 4.131 0 1 FIAF CC[C@H](C)NC(=O)c1sc2ncnc(N(C)c3ccccc3)c2c1C 2926850 ISDXXHBJVQQECM-LBPRGKRZSA-N 354.479 4.296 0 1 FIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC)[C@@H]2c1cccs1 100704717 PEJUFXBTQZXJLD-SAIXKJTDSA-N 363.464 4.010 0 1 FIAF aggregator OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1n[nH]c2ccccc12 101185165 IHAPBZBYXJKWJA-IRXDYDNUSA-N 367.880 4.231 0 1 FIAF CC(=O)NCCCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1 66258432 ZLKMOUBQZRCJNB-UHFFFAOYSA-N 354.450 4.264 0 1 FIAF COC(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 27422359 MAQMGMISLYBNHO-CGDDJSRJSA-N 372.505 4.385 0 1 FIAF CN(C)CCc1cccc2[nH]c(-c3nc(CCC4CCCC4)no3)cc12 36311407 CLAITWWHTIONDP-UHFFFAOYSA-N 352.482 4.445 0 1 FIAF CS(=O)(=O)c1ccc(-c2cncc(-c3cc4ccc(O)cc4[nH]3)c2)cc1 73139822 WHNSGFXLCCFUNW-UHFFFAOYSA-N 364.426 4.006 0 1 FIAF O=C(Nc1ccccc1Cl)c1cnc2ccc(N3CCCCC3)cn12 49018584 PAPLYPMKGDNISY-UHFFFAOYSA-N 354.841 4.230 0 1 FIAF CC(=O)OC[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 136930460 BLJIZPWSKVXUMY-FVQVRMAOSA-N 366.288 4.423 0 1 FIAF O[C@@H](CNc1ccnc(Nc2ccccc2)n1)c1ccc(C(F)(F)F)cc1 45202024 RMGUJVWQFUFXHE-INIZCTEOSA-N 374.366 4.385 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@H]2CC[C@H]1C3 299812924 PTGGVIKFNQSFBY-SNPARQQDSA-N 358.478 4.210 0 1 FIAF Cc1cc(NCc2ccccc2Br)c2cccc(C(N)=O)c2n1 473089052 KCSRJSAADRLXHO-UHFFFAOYSA-N 370.250 4.017 0 1 FIAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1F 653738111 MXHOCFIYIWHXBW-UHFFFAOYSA-N 350.349 4.140 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)N(C)C)CC2=O 587469242 LQPMAYUGXBSTBH-NYHFZMIOSA-N 353.462 4.156 0 1 FIAF Cc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1F 587019500 LSPCHJDGDHQJPW-UHFFFAOYSA-N 372.450 4.372 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Cl)c2)N1 587706605 QVEGJOCQYQNKNW-GLEZIHRCSA-N 355.638 4.260 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(F)(F)F)cn1 587871407 VXBLDPZQBOQILC-UHFFFAOYSA-N 351.303 4.491 0 1 FIAF Cc1[nH]c2ncccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587806135 VAYPHUUWWCFHRL-VVVCHXIZSA-N 374.257 4.397 0 1 FIAF C[C@]1(c2ccc3nc[nH]c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586685 CSULYIFTSSGDPV-DENIHFKCSA-N 372.380 4.146 0 1 FIAF COc1nccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc12 587063220 IRPGBBNLBDOADS-UHFFFAOYSA-N 370.796 4.162 0 1 FIAF CC(C)(C)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2n1 587075273 FKWNJQVPFWERPW-UHFFFAOYSA-N 352.829 4.157 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Cl)cnc2[nH]1 587233403 ODIDEFJVLMTGBP-VXGBXAGGSA-N 350.850 4.162 0 1 FIAF COC(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1OC 587081418 VOMNVCSHMLKWCV-UHFFFAOYSA-N 369.808 4.015 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(F)cc(F)cc31)CC2=O 587471720 MRATWZFBMFIJEF-HXUWFJFHSA-N 360.356 4.266 0 1 FIAF Cn1cc(-c2ncc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)s2)cn1 587021910 QMFBPXJKBXFINB-UHFFFAOYSA-N 350.234 4.394 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Cl)c1F 587569624 ROEKWHGIUSQQLY-KBXCAEBGSA-N 371.751 4.283 0 1 FIAF CC[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587816553 AENLFFHWDWVMTA-AGKHESDQSA-N 354.263 4.097 0 1 FIAF Fc1c(F)c(F)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1F 587039223 CXCDYMXEEQLDEH-VHSXEESVSA-N 367.371 4.066 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCOc2ccccc21 587612535 VUXJHSIBRCFIPW-RWAHWCJQSA-N 374.392 4.289 0 1 FIAF CSc1ccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 586974459 UOKZZSGGJPGHMT-GOSISDBHSA-N 371.531 4.395 0 1 FIAF COc1cccc([C@H](C)Cc2nc3c(C)c(Br)cnc3[nH]2)c1 587929595 BZPWEQXYUJDBOC-SNVBAGLBSA-N 360.255 4.384 0 1 FIAF Cc1ccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2n1 587075753 KBIUZIBGMLFXPD-UHFFFAOYSA-N 354.797 4.462 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccc(C)o4)s1)[C@@H](C2)C3=O 587452510 NQEMXYOCTWZUQN-SGTLLEGYSA-N 353.399 4.209 0 1 FIAF COc1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587377597 NQCFCOGZOCXTDT-MRXNPFEDSA-N 362.223 4.055 0 1 FIAF COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(C)s2)C3)cc1 15778889 CNFUKWXVUYZQDH-UHFFFAOYSA-N 366.490 4.157 0 1 FIAF O=C(Nc1ccc2n[nH]cc2c1)c1c[nH]c2cc(-c3ccccc3)cnc12 1857609479 UGVHHIQFRFAWNN-UHFFFAOYSA-N 353.385 4.359 0 1 FIAF CC1(C)[C@H]2CC[C@]1(CC(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 13728408 QZKDOLFDPNDPMR-UUOWRZLLSA-N 363.501 4.359 0 1 FIAF CCCC(=O)c1c(O)c(C(C)=O)c2oc(=O)cc(-c3ccccc3)c2c1O 14684955 CWYKFYFKUYOIRI-UHFFFAOYSA-N 366.369 4.057 0 1 FIAF biogenic CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3CCC3)CN(C)[C@@H]1C2 27518934 BQSCTKYJXPGTLS-OZOXKJRCSA-N 366.505 4.278 0 1 FIAF CCC(=O)CCCCOc1ccc2c(c1)CCN=C2C(=O)c1ccccc1 27559464 KLWKKIIQFNVSRG-UHFFFAOYSA-N 363.457 4.443 0 1 FIAF CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1cc(Cl)nc2ccc(OC)cc12 45209991 XJIBDOHIONJNPE-GEDLKBKPSA-N 360.885 4.051 0 1 FIAF COc1cc(Cc2c[nH]c3ccc(Br)cc23)cc(O)c1OC 45254802 CNKPXXZSRSOZTR-UHFFFAOYSA-N 362.223 4.244 0 1 FIAF CCN(CC)c1cccc(-c2cc(=O)c3cc(OC)c(OC)cc3o2)c1 45349635 AXHYOWYHLVMNMM-UHFFFAOYSA-N 353.418 4.323 0 1 FIAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1 63298327 TVEREFRWBLRPPJ-CQSZACIVSA-N 350.393 4.387 0 1 FIAF C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C)C(=O)O 85530897 WZUQHKYYDXBXCT-UHFFFAOYSA-N 374.354 4.370 0 1 FIAF biogenic,in-vitro C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1Cc1ccc(F)cc1)[C@H](CO)N2 95668154 STBXREGNXHBLQX-HDDKHUTJSA-N 352.453 4.208 0 1 FIAF CN1[C@H]2CC[C@H]1[C@H](OC(=O)C(F)(c1ccccc1)c1ccccc1)CC2 100800821 PXPFOIYLNCPFCA-SLFFLAALSA-N 353.437 4.068 0 1 FIAF O=C(CN1CCCCC1)Nc1nc(-c2ccc(F)cc2Cl)cs1 103219408 RBVSQVZHECBSBX-UHFFFAOYSA-N 353.850 4.027 0 1 FIAF N[C@@H](CO)Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12 146708839 CJSKCQZISCGSQU-GOSISDBHSA-N 358.441 4.285 0 1 FIAF c1cc2c(OCC3CCN(CC4CCC4)CC3)nc3ccsc3n2c1 169329298 KOUWCKOYWSBBHY-UHFFFAOYSA-N 355.507 4.440 0 1 FIAF Cc1cc2cc(-c3nc4ccc(C(=O)O)cc4nc3N(C)C3CC3)ccc2[nH]1 205440429 AJBJYEBLRRYFOC-UHFFFAOYSA-N 372.428 4.383 0 1 FIAF CO[C@@H]1C/C(=C\C[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]23)C(=O)O1 238734363 MRXKWDQPIXXGBB-BJGVYFSDSA-N 362.466 4.086 0 1 FIAF Fc1cc(Br)cc([C@H]2C[C@@H](c3ccccc3)N3NN=NC3=N2)c1 473091484 YTLPDXKPGXINAV-CABCVRRESA-N 374.217 4.318 0 1 FIAF Cc1ccc2c(ccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c32)n1 586966381 CRUCGZDOZQBXOE-UHFFFAOYSA-N 374.429 4.157 0 1 FIAF NC(=O)Nc1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 587244266 ZJNIKTJVYVJALJ-UHFFFAOYSA-N 365.618 4.136 0 1 FIAF Cc1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)co1 587340496 SXNPFPWJCUPGOZ-AZUAARDMSA-N 353.349 4.102 0 1 FIAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)no1 587348924 SNHHQEUQIAFGFB-ICSRJNTNSA-N 353.349 4.102 0 1 FIAF C[C@H]1C[C@]2(C[C@@H](C)O1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587360456 VMTBKZQKAKEHQA-JWBPIPTGSA-N 356.393 4.216 0 1 FIAF CC[C@]1(C2=NCCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374716 PRJMIRMCZBCPBE-XLIONFOSSA-N 371.433 4.184 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(=C\N(C)C)c1ccc(Cl)cc1)O2 587378367 NVKSIUZZLALVTN-QMDZLVRISA-N 356.853 4.167 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccccc3Cl)CC1)O2 587378834 QQLAFHZLQPVVQB-UHFFFAOYSA-N 356.853 4.235 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nn(C)c1Cl)O2 587379911 MTWZLQZYAZSALB-MRXNPFEDSA-N 367.836 4.338 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3c1ccc(OC)c3OC)CC2=O 587476178 FCNNVNBWOGFTIT-JOCHJYFZSA-N 368.429 4.169 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccccc1)CC2=O 587490357 RNXMYNLKSCOHKF-QFIPXVFZSA-N 368.429 4.460 0 1 FIAF COCCn1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587513897 VGDXWUNXQDTLNX-NRFANRHFSA-N 353.462 4.337 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncccc1Cl 587549255 RKCDOQRFDWXUHY-HNAYVOBHSA-N 353.761 4.144 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CF)c1ccccc1 587555669 LOQAKAZOUJYXFA-WIYYLYMNSA-N 350.345 4.219 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)ccc12 587573514 ZDUMCKGVTNZIQZ-UGKGYDQZSA-N 362.356 4.335 0 1 FIAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599142 WBUJFNUDKMAATE-KNQAVFIVSA-N 362.381 4.494 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CF)(c2ccccc2)N1 587721710 XDZJVPPPKPKTQH-GTNSWQLSSA-N 352.222 4.336 0 1 FIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnc1F 587738281 MJAXJYPDCMTZOP-PSLIRLAXSA-N 353.210 4.054 0 1 FIAF COc1ccc(C=O)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587785594 AAOGGWBCDQLFPU-UHFFFAOYSA-N 371.265 4.100 0 1 FIAF COC[C@]1(C2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587792646 LSRGVQGALYMHEK-PIGZYNQJSA-N 356.279 4.154 0 1 FIAF Cc1cccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n[nH]c12 587798675 VCPYXBMKFSAHBX-MLCYQJTMSA-N 374.257 4.397 0 1 FIAF COc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810952 YPFQKWZELHPAPA-VOJFVSQTSA-N 364.258 4.395 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC2CCOCC2)N1 587833352 GCGZREPFVUETAJ-IAQYHMDHSA-N 356.279 4.370 0 1 FIAF Clc1ccccc1-c1nnc2cncc(OCCc3ccccc3)n12 653919132 KVOZVIJYWCGSOW-UHFFFAOYSA-N 350.809 4.066 0 1 FIAF c1coc(CN2CCc3sccc3[C@]23CCc2[nH]c4cccnc4c23)c1 962701342 CZHNCVIDQLVCAX-NRFANRHFSA-N 361.470 4.466 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2C1(CN2CCOCC2)CCCCC1 963115983 WMGXOUSZCYTZLQ-RBBKRZOGSA-N 372.528 4.170 0 1 FIAF CN(C)c1nc(Cl)c([C@H]2NCCc3c(Cl)cc(Cl)cc32)s1 963118654 GTUQTISMRBKGHM-NSHDSACASA-N 362.713 4.404 0 1 FIAF O=C(CCN[C@]1(c2ccccc2Cl)CCCCC1=O)Oc1ccccc1 1857614973 CDMJRPOLFRSFLQ-NRFANRHFSA-N 371.864 4.264 0 1 FIAF CCC(C)(C)c1ccc(OCCCN2CCN(c3cccnc3)CC2)cc1 1857630238 MMOLQDTXXFURQZ-UHFFFAOYSA-N 367.537 4.360 0 1 FIAF CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@H](OC(=O)c2ccccc2N)C1 2356448550 HKHOXKLGGSDMQO-KIZRIRGWSA-N 357.494 4.338 0 1 FIAF CC1=C[C@H](CNC2CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356854297 RNKJZGUSKFXGOD-NLWGTHIKSA-N 366.509 4.281 0 1 FIAF CCCn1nc2cc(C(=O)NCc3ccc(C)cc3)ccc2c1OCC 8762993 WCGQGQKCWFAEDT-UHFFFAOYSA-N 351.450 4.083 0 3 FIAF O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(F)cc1)O[C@H](C1CCCCC1)C2 72122087 LVZOGFJRMXCZOD-RDJZCZTQSA-N 360.454 4.183 0 3 FIAF CCOC(=O)[C@@H](C)N1C(=O)CS[C@H]1c1cccc(Oc2ccccc2)c1 3639526 LGUROHQUYAYSDQ-KUHUBIRLSA-N 371.458 4.005 0 1 FIAF COc1ccc([C@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 28978490 MPHIFJCITUWVMO-KRWDZBQOSA-N 350.201 4.095 0 1 FIAF COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)Oc1cc(C)cc(O)c1O2 28457989 XKULFDQBSZIQHH-ZDUSSCGKSA-N 358.390 4.114 0 1 FIAF C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@@H](C)O3 29133641 MFKHKUNCZMBSOF-YJLKIPLNSA-N 352.386 4.059 0 1 FIAF COC1(OC)CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=O)CC[C@]4(O)[C@@H]3CC[C@@]2(C)C1 2356649030 XHSWJTDGBUQZOI-ZYTTUEFQSA-N 364.526 4.092 0 1 FIAF C[C@@H]1Oc2[nH]c3ccccc3c(=O)c2[C@@]1(C)CC[C@H]1OC(C)(C)OC1(C)C 13380064 IQNWBWZINFOHGE-IATAILRESA-N 371.477 4.277 0 1 FIAF biogenic COc1ccc([C@@](c2ccccc2)(c2cccc(OC)c2)n2cncn2)cc1 43076118 KCBQRVLXILGZHI-QHCPKHFHSA-N 371.440 4.136 0 1 FIAF CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCC3CC3)ncnc21 82179986 XQRPPGXLOMEDHZ-AWEZNQCLSA-N 365.481 4.370 0 1 FIAF O=C1NC(=O)/C(=C/c2ccc(OC[C@@H]3C[C@H]4CC[C@@H]3C4)c(Cl)c2)S1 96282284 KEBLMCRLTPTWEZ-DKQKRVSZSA-N 363.866 4.479 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)/C=C/[C@@H](C)C/C=C/[C@@](C)(O)C[C@H](O)[C@@H]12 238761905 SVFYCYBARKSVJH-AKNGMDTASA-N 364.526 4.015 0 1 FIAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1 261183528 WRBZABSLXIGYJG-UTKZUKDTSA-N 355.526 4.268 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccco2)n1 299876709 GDSMGVSROVZFDH-IJEWVQPXSA-N 356.470 4.256 0 1 FIAF CCOC(=O)c1cc2c3ccccc3n(Cc3cccc(OC)c3)c2cn1 473132405 RTVUDLMEXTYIKC-UHFFFAOYSA-N 360.413 4.423 0 1 FIAF CON1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@H]1c1cccc(O)c1 653869283 WFVCDMQYDODBGI-YMPZKCBVSA-N 372.424 4.465 0 1 FIAF Cc1c(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)cnn1C 587627909 FIDPFZXGESHJDO-UHFFFAOYSA-N 359.710 4.414 0 1 FIAF CO[C@]1(C)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587807910 FDMBPHBBKARKRD-FDOKIQAASA-N 356.279 4.153 0 1 FIAF COc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cn1 587040623 INAJVUSQEMMPDW-UHFFFAOYSA-N 359.476 4.024 0 1 FIAF CCc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 587074372 UKURRPCCCWKEDE-UHFFFAOYSA-N 351.841 4.394 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ncc2Cl)N1 587738877 RGYALQVPJKFFSF-NZFNHWASSA-N 373.628 4.399 0 1 FIAF Nc1c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cnc2c(F)cccc12 587176500 NPKSBVWGYIGLTQ-UHFFFAOYSA-N 362.286 4.398 0 1 FIAF Cn1ccnc1[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587529718 BJNDLICHTZIWJA-NRFANRHFSA-N 364.470 4.269 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3n2)N1 587793134 JXAORPXMSNWKFD-BMLIUANNSA-N 372.241 4.155 0 1 FIAF COc1ccc(N)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1OC 587512313 WSSFAECZWWZTAF-JOCHJYFZSA-N 367.445 4.045 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3nccc-3c2)N1 587807504 XIJKCDLBJIPBMR-ABKXIKBNSA-N 360.230 4.040 0 1 FIAF Fc1cc(Br)ccc1-c1nc2ccc(Br)nc2[nH]1 587142906 QGEWMGHBWFQKER-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF CCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1F 587210390 QVQZIIKKWFTCQV-UHFFFAOYSA-N 351.377 4.165 0 1 FIAF Fc1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586999355 YHAKZGBMCQOQGQ-PLNGDYQASA-N 361.170 4.364 0 1 FIAF CCOc1ccccc1OCc1nc2ccc(Br)c(O)c2[nH]1 587779622 BKWBJWGOQZMCDV-UHFFFAOYSA-N 363.211 4.009 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(F)c2)N1 587728806 FVLCRMUTBANIGU-VPTHRUTESA-N 356.185 4.490 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cccc(-c2ccccn2)c1 963604946 GCPJDZARCHSGNE-NPMXOYFQSA-N 360.457 4.389 0 1 FIAF COc1cc2c(cc1O)CC[C@]21NCCc2cc(-c3ccccc3)ccc21 962666721 LIUZHGUZMYPEIM-XMMPIXPASA-N 357.453 4.403 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(C)c(C)c3)C2)cc1 1772640132 XGKAQOWPLZYPIG-JTSKRJEESA-N 352.478 4.158 0 1 FIAF Fc1ccc(Cn2cnc3c(Sc4ccc(F)cc4)ncnc32)cc1 13608677 UIIFEOZVIUNDKF-UHFFFAOYSA-N 354.385 4.304 0 1 FIAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccs2)cc1 841385 HSTMHTOCYJEAHE-UHFFFAOYSA-N 372.393 4.023 0 1 FIAF CCC(=O)N1c2c(OC)cccc2[C@]23CCN4CCC[C@](CC)(CC[C@H]12)[C@H]43 13373789 CIQNQSRBNFTNRL-XSEFMFLKSA-N 368.521 4.117 0 1 FIAF biogenic CO[C@@H]1c2c(c3c(c4c(C)cc(=O)oc24)OC(C)(C)C=C3)O[C@@H](C)[C@H]1C 13407795 NEHHJJDJNPBYJK-PEBVRCNWSA-N 356.418 4.390 0 1 FIAF biogenic CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2c(OC)cccn12 13801047 HGMCRDODMFNWEQ-UHFFFAOYSA-N 365.477 4.201 0 1 FIAF S=C1N=C(c2cccs2)C[C@@H](c2ccc(Br)cc2)N1 19995057 QYLHBTSUMFBRPU-NSHDSACASA-N 351.294 4.319 0 1 FIAF O=C1[C@@H](CCN2CCC(c3noc4cc(F)ccc34)CC2)CC2=CC=C[C@@H]12 26961477 GGEFSRKFXAJIQL-FUHWJXTLSA-N 366.436 4.238 0 1 FIAF C[C@@](O)(CSc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 28022510 FKBZJDKKIOLKJH-MRXNPFEDSA-N 356.274 4.475 0 1 FIAF c1ccc(-c2nc(CN3CC[C@@]4(CCCN(CC5CC5)C4)C3)co2)cc1 39552365 OVYAJPZXAFAJRL-JOCHJYFZSA-N 351.494 4.040 0 1 FIAF Cc1cc(I)ccc1Nc1cccc(F)c1C(=O)O 40421960 CZDVKBNPCLSXTF-UHFFFAOYSA-N 371.149 4.181 0 1 FIAF COC(=O)/C=C1\c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 40457109 RTQUFSNLDJGBIR-CJLVFECKSA-N 363.457 4.136 0 1 FIAF CC[C@@H](COc1ccccc1Sc1cccc(F)c1)N(C)CC(=O)O 40567024 YHCQCGSRCULRHM-HNNXBMFYSA-N 363.454 4.151 0 1 FIAF CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)C12CCC(O)(CC1)CC2 68152683 XADYITLBCVNJHE-VXPHMXNRSA-N 367.533 4.213 0 1 FIAF COc1cc(F)ccc1-c1c[nH]c(=O)c2cc(-c3ccncc3)sc12 72176209 WEPVISFEMWVLFZ-UHFFFAOYSA-N 352.390 4.466 0 1 FIAF COc1ccccc1[C@H](c1cccnc1)c1cc2c3c(c1)CCN3C(=O)CC2 95595937 ZFAYMNZFQOEKNJ-HSZRJFAPSA-N 370.452 4.106 0 1 FIAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCC5)C[C@@H]3N4)cc2)c1 100104796 QHWMUFXMXWUOBX-NUNAXRQHSA-N 360.501 4.118 0 1 FIAF CC[C@@H](Oc1ccc2ccccc2c1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102083379 WAWMBTQBOWMQGD-BBTUJRGHSA-N 353.462 4.166 0 1 FIAF O=C1N(c2ccccc2)c2[nH]c(=S)sc(=O)c2[C@@H]2CCCCCN12 103152761 RSVDQXLWQIRYGK-LBPRGKRZSA-N 359.476 4.355 0 1 FIAF CC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)[C@@H](C)C3=O)cc2)cc1 169720236 VQRZDORXXZWESD-ZSEKCTLFSA-N 352.455 4.336 0 1 FIAF COc1ccc2c(c1)CC[C@@]1(CCCCN1CCc1ccc(F)cc1)C2=O 213538377 YSEBXRBOHCKTSS-QHCPKHFHSA-N 367.464 4.431 0 1 FIAF O=C(COc1ccccc1)N1CCCC[C@H]1c1cc(-c2ccccc2)n[nH]1 299856966 LOKNESXGYMGRDY-NRFANRHFSA-N 361.445 4.209 0 1 FIAF FC(F)(F)c1c(Br)ccc2nc(C3CC4(COC4)C3)[nH]c12 586918399 YBBYCBHYZSGYOT-UHFFFAOYSA-N 361.161 4.238 0 1 FIAF Cc1nc(-c2c[nH]cc2-c2nc3c(Br)ccnc3[nH]2)cs1 587022552 YTGFDOCDRZYZIR-UHFFFAOYSA-N 360.240 4.147 0 1 FIAF Clc1cncc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587029155 IPJFUMRDVDBOFS-UHFFFAOYSA-N 366.837 4.133 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@H]3SCCc4sccc43)nc12 587036581 GQVTUPFVWYCYDS-LBPRGKRZSA-N 366.309 4.469 0 1 FIAF Fc1cc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2cc1Cl 587120345 ZFFPTPMSIGHDOP-UHFFFAOYSA-N 372.753 4.498 0 1 FIAF Nc1ccc(-c2ccc3nc(CCC(=O)c4ccc(F)cc4)[nH]c3c2)cc1N 587162191 IASWPWCTERNULK-UHFFFAOYSA-N 374.419 4.349 0 1 FIAF Cc1cncc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587165749 BWAUWPZVGBLJCY-UHFFFAOYSA-N 363.421 4.372 0 1 FIAF COc1ccc(C(F)(F)F)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587381715 KCEABJFCHMYDJO-MRXNPFEDSA-N 351.324 4.311 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccsc1N)[C@@H](C2)C3=O 587453864 UZHOJAKHMWSNSO-HRAATJIYSA-N 363.438 4.030 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc4c(c31)CCO4)CC2=O 587492537 QZPNCIONZYCVKO-JOCHJYFZSA-N 350.414 4.087 0 1 FIAF CCOC(=O)CC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587522925 JEFVWTICOSDLHK-UHFFFAOYSA-N 356.462 4.413 0 1 FIAF CCOC1=C[C@@]2(CCC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587593491 DUPZBGSKMCQJBZ-GHTZIAJQSA-N 352.386 4.197 0 1 FIAF CN1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587596171 RECOMLJDCVWYDL-OFNKIYASSA-N 373.408 4.087 0 1 FIAF Cc1ccc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587608893 NCYLXLMKZRTPDA-XMSQKQJNSA-N 362.381 4.418 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnccc2Cl)N1 587693104 CQSXBVDYZPIUNR-AYVTZFPOSA-N 355.638 4.260 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2Cl)N1 587701243 WVMHESLBPPGMFW-ABKXIKBNSA-N 369.665 4.434 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(F)c2)N1 587723583 BQDWPOVWYWPEAK-VVVCHXIZSA-N 368.221 4.231 0 1 FIAF COc1ccc(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc1O 587786596 LTHUHDZKZZIMRC-UHFFFAOYSA-N 352.781 4.006 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3ccccc23)N1 587792273 HRKCYFAYGBXMIM-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF COCC[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797534 VXBZTVNWXSAQFV-GTNSWQLSSA-N 358.295 4.400 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(C)(C)C)N1 587810564 LEUVKISANPOQAF-BMLIUANNSA-N 356.279 4.343 0 1 FIAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587848953 QENLCRPLDPQQQX-VXJOIVPMSA-N 356.260 4.282 0 1 FIAF CC(C)=CCC/C(C)=C\c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587966144 AZRPRMKSGAKZIE-UVTDQMKNSA-N 350.466 4.468 0 1 FIAF COC(=O)CNC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 653851939 GBLNEWBADSQBIB-UEVCKROQSA-N 371.521 4.110 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(OC)cc2)(c2ncco2)N1 962949265 FCDLOFAXOTYDBA-WAIKUNEKSA-N 373.456 4.381 0 1 FIAF CN1C(=O)C[C@H]2CN[C@]3(CC(C)(C)CCc4ccccc43)c3cccc1c32 963033146 PVDJIUPAXHSVKL-XDHUDOTRSA-N 360.501 4.346 0 1 FIAF COc1ccccc1[C@]1(c2ncco2)c2c(F)cccc2C[C@H]2CCCN21 963095690 CZPYFTXSDVZHMC-OPAMFIHVSA-N 364.420 4.135 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)Cc1ccc(F)cc1Cl 963629495 BFROQCIKFGYEGE-MPBGBICISA-N 363.860 4.488 0 1 FIAF Cc1c(-c2ccc(N3CC(F)(F)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772652373 LUPXOMOZZPGVHC-UHFFFAOYSA-N 362.326 4.237 0 1 FIAF O=C(O)CCCN1CCCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1 1857541122 ZSIREMQPLKTYMT-SFHVURJKSA-N 365.433 4.282 0 1 FIAF Cc1sc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1 1857656829 GVIVVECZNBJYEW-DLBZAZTESA-N 370.499 4.037 0 1 FIAF CCOc1ccc(Oc2ccc(/C=C/[C@H](C)NC(C)=O)cn2)c(Cl)c1 1857756426 CQMACGRIWWWPIM-GFUIURDCSA-N 360.841 4.464 0 1 FIAF CCCC=CC=CC=CCCCOC[C@@H](O)COC(=O)c1ccc(O)cc1 2356522408 GPOOJUQRKZSJIB-OAQYLSRUSA-N 374.477 4.175 0 1 FIAF COc1cc2c(cc1CCCCCCCC=CCC(=O)O)CCN(C)C2=O 2356874919 ZWPYWWRZAQMBKM-UHFFFAOYSA-N 373.493 4.237 0 1 FIAF CCCOc1ccc(F)cc1-c1cc(C(=O)Nc2ccc(F)cc2)[nH]n1 61927729 WRXAIHSRJXXGPC-UHFFFAOYSA-N 357.360 4.396 0 3 FIAF CC(C)(C)c1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 3797204 JGVJFGOJLMPHRD-HXUWFJFHSA-N 374.484 4.482 0 1 FIAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C[C@H]3CCCN3C2)cc1 14695996 WOAHFBLGXWXVSL-GOSISDBHSA-N 365.473 4.491 0 1 FIAF biogenic,in-vitro CCOC(=O)C(=CNc1ccc2sc3ccccc3c2c1)C(=O)OCC 14956331 CRRPBVYHMALQSC-UHFFFAOYSA-N 369.442 4.477 0 1 FIAF CC(C)=CCC[C@@](C)(O)CCc1c(O)cc(O)c(C(=O)C(C)C)c1O 15120711 DJILNHQPAHLEMJ-HXUWFJFHSA-N 350.455 4.072 0 1 FIAF biogenic CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1C=CCC[C@@H]1N1CCCC1 26272340 GNJDXCZWVLXCHH-ROUUACIJSA-N 367.320 4.177 0 1 FIAF Cc1ccc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)cn1 28571818 AWCHLKLUJFQCJC-UHFFFAOYSA-N 367.405 4.161 0 1 FIAF CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@@H]3O[C@@H](C[C@@]4(C)CCC[C@]3(C)O4)[C@@H]21 40401982 XBXWRLRZRQRZHE-TWGZSJHRSA-N 364.526 4.496 0 1 FIAF OC1CN(C2=Nc3ccccc3C(c3ccccc3)=N[C@H]2c2cccs2)C1 53194179 BKSGACYTXOQQNI-NRFANRHFSA-N 373.481 4.047 0 1 FIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@@H](O)CN1C(=O)C1CCC1 72175632 SSFZWHHWBFSYKR-YLJYHZDGSA-N 370.880 4.145 0 1 FIAF CC(C)n1c(=N)n(CCOc2ccc(Br)cc2)c2ccccc21 102999133 NUKYBBJVCJEYJC-UHFFFAOYSA-N 374.282 4.345 0 1 FIAF CCN(CC)c1ccc(-c2ccc3cc(OC[C@H](O)CF)ccc3n2)cc1 148960749 UJKGDGDFGOYPIL-LJQANCHMSA-N 368.452 4.457 0 1 FIAF Cc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccncc5)cc4c32)cc1 169354040 XNBLOPAXLWLHBP-UHFFFAOYSA-N 366.424 4.248 0 1 FIAF CC(=O)c1ccc(-c2ccc(C[C@@]3(C)SC(=O)[C@H](C)C3=O)cc2)s1 169720261 XEQHWSXEFMCDDT-NSPYISDASA-N 358.484 4.398 0 1 FIAF Cc1ccnc(COc2ccc(C#N)cc2-c2ccc3c(c2)CCNCC3)c1 205448630 ZDSYONDWGBGPTQ-UHFFFAOYSA-N 369.468 4.196 0 1 FIAF COc1ccccc1-c1cc2cc(Br)cc(OC)c2oc1=O 299820004 DARINKLQKZLLGU-UHFFFAOYSA-N 361.191 4.240 0 1 FIAF Oc1nc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cs1 587016608 CUQNJTFBTNYZCE-UHFFFAOYSA-N 364.146 4.173 0 1 FIAF COC(=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052786 MRHLGUBGZCCNKM-UHFFFAOYSA-N 351.793 4.461 0 1 FIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587070954 UOJPGXJKTUHZRM-SECBINFHSA-N 355.656 4.203 0 1 FIAF CSc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132095 JQRNEUIMBILLCG-LLVKDONJSA-N 369.437 4.254 0 1 FIAF CC(C)(C)c1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2n1 587175183 QPDGXTDFUIQDSE-AWEZNQCLSA-N 351.429 4.118 0 1 FIAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1nccs1 587207684 IVDBAQWYWXVEMX-UHFFFAOYSA-N 371.421 4.084 0 1 FIAF CC(=O)NC1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CCC(C)CC1 587234991 ZZEYCBHVTHCQEU-UHFFFAOYSA-N 357.351 4.262 0 1 FIAF Oc1nc(O)c2ccc(-c3ccc(Br)c4ccccc34)nc2n1 587366655 OKTACAWLAYJIAJ-UHFFFAOYSA-N 368.190 4.019 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(C)c(Br)c1)O2 587381667 LAUHSBVMNXODDQ-MRXNPFEDSA-N 364.214 4.494 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(F)c2F)N1 587721168 PAGJRRXHNYAKHG-VGDKGRGNSA-N 372.184 4.196 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COc2ccccc2F)N1 587729613 WDDBGLCZWOWTSC-HZMBPMFUSA-N 368.221 4.382 0 1 FIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc1F 587739818 VWZSXDDWURBDRS-VFZGTOFNSA-N 353.210 4.054 0 1 FIAF Cc1c(O)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821849 KCTHXTOGMXAQQQ-XYZCENFISA-N 350.231 4.226 0 1 FIAF CC(C)Oc1ccc(OC(C)C)n1-c1c(N)cccc1Br 587937405 RBSNYHYOQLRNOT-UHFFFAOYSA-N 353.260 4.396 0 1 FIAF COC(C)(C)CCC[C@H](C)C[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962892983 HUTFYSYPMCAZTI-VHSSKADRSA-N 351.462 4.087 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)nc3ccccn23)N1 962947457 NFNBCBHCQPOGMV-XIKOKIGWSA-N 350.853 4.483 0 1 FIAF CC[C@]1(c2ccc(F)c(Br)c2)NCCc2ccc(O)cc21 963340776 IBFCCFZWJOUXMM-QGZVFWFLSA-N 350.231 4.093 0 1 FIAF CCN(CC)C(=O)c1cc(-c2csc(Nc3ccc(C)cc3)n2)n(C)n1 1772596744 JZGRVEVKFRLRMH-UHFFFAOYSA-N 369.494 4.078 0 1 FIAF CCOc1ccccc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772657563 SUSTXTKENXBPQP-KRWDZBQOSA-N 355.365 4.486 0 1 FIAF Cc1nc(-c2ccc(F)c(C)c2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1 1857557242 BNOAPQWBXKBDLM-UHFFFAOYSA-N 350.397 4.243 0 1 FIAF CC=C(C)[C@H](O)[C@@H](C)C=C(C)C=CC=CC=CC=C(C)C(=O)N[C@H](C)CO 2356698878 SJFXXCHPVOUCOT-BDTNDASRSA-N 373.537 4.008 0 1 FIAF CCCC(=O)c1c(O)ccc([C@H]2C[C@H](C)Oc3cccc(OC)c32)c1O 2356845047 OAWMMWGPMODBFV-GXTWGEPZSA-N 356.418 4.392 0 1 FIAF CC(=O)Nc1ccc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)cc1 2947417 AILABAORQPYBIK-QGZVFWFLSA-N 364.829 4.216 0 3 FIAF O=C(Nc1ccc(F)c(Cl)c1)[C@H]1Cc2c(-c3ccco3)ccnc2O1 61897059 PXWBFTNMFNUBKJ-MRXNPFEDSA-N 358.756 4.076 0 3 FIAF CC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3CC(C)C)c1 1369486 PVWFPVREPQVZNU-WOJBJXKFSA-N 357.498 4.052 0 1 FIAF CNCC[C@H](Oc1cccc(I)c1)c1ccccc1 13730753 SUBJTCFXQZZZTM-INIZCTEOSA-N 367.230 4.021 0 1 FIAF Cc1ccc(C2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1C 13802965 UROZVASCLWFZOW-UHFFFAOYSA-N 350.462 4.014 0 1 FIAF C[C@@H](CO)Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)C(C)(C)C 26006159 YDJUXRPEULXZFF-OAHLLOKOSA-N 354.446 4.040 0 1 FIAF CCC(=O)N(c1ccccc1)[C@@H]1CCCN(C[C@H](O)c2ccccc2)CC1 34478315 JJHMPFZIQGVLEV-YADHBBJMSA-N 366.505 4.018 0 1 FIAF CSC(=O)C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]12 36088193 HEHYGLAJNXTTKQ-BPERIUBUSA-N 360.519 4.347 0 1 FIAF CCCC[C@@](C)(O)C1=CC[C@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@H]3C1 40511535 LJTJQLDGHOLLEZ-YCAMKHIRSA-N 369.549 4.471 0 1 FIAF CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NC[C@H](O)CO 66075158 BHTKFCKCINKOAG-IWFQAGGASA-N 351.531 4.045 0 1 FIAF Brc1ccc(-c2nc(Cn3ncc4c3CCCC4)co2)cc1 72101293 JVRIJZISGWKXIU-UHFFFAOYSA-N 358.239 4.228 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2F)n1 82152804 CUJXACXFMCNOMS-OAHLLOKOSA-N 370.472 4.365 0 1 FIAF COc1ccc(CNc2cc(-c3cc(F)cc(F)c3)ncn2)cc1OC 82162102 NDEDKFMQVVNXTO-UHFFFAOYSA-N 357.360 4.051 0 1 FIAF CCCCCNc1ncnc2c1nc(-c1cccs1)n2C[C@@H]1CCCO1 82186614 KDJXPACJNGFNKV-AWEZNQCLSA-N 371.510 4.336 0 1 FIAF COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4cccs4)c32)cc1 96940444 VLQQKULGYCFLGJ-UHFFFAOYSA-N 370.455 4.010 0 1 FIAF N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@H](NCCCC(F)(F)F)CC1 101403031 KZDLVPSWMDBGSX-ISTRZQFTSA-N 364.402 4.326 0 1 FIAF C[C@]1(c2cccs2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 138766236 PDRBEDRHYQZUBJ-MRXNPFEDSA-N 371.241 4.215 0 1 FIAF C[C@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NC3CCC3)c2)c(F)c1 143618009 NILOYMWQFCYHHM-LBPRGKRZSA-N 357.381 4.322 0 1 FIAF Fc1ccc(-c2n[nH]c3ccc(-c4nc(-c5cccnc5)n[nH]4)cc23)cc1 164840402 IKMLOQOQXQXGCE-UHFFFAOYSA-N 356.364 4.216 0 1 FIAF CC(C)(CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165217021 VKBIIHARRMKPLG-UHFFFAOYSA-N 364.470 4.352 0 1 FIAF COc1ccc([C@H](C)NC(=O)Nc2nc(-c3ccncc3)cs2)cc1 165917106 IKDHPOHWKDYISK-LBPRGKRZSA-N 354.435 4.096 0 1 FIAF Cc1nn(CCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1[C@@H]1[C@H](C2)C1(C)C 504096538 QMDLUNXWUGBDBI-PRLPJYAQSA-N 369.553 4.305 0 1 FIAF biogenic CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(Br)cc2[nH]1 586881516 GXXGFWVGGUYVSI-UHFFFAOYSA-N 371.234 4.254 0 1 FIAF C[C@@H](c1nc2nc(Br)c[nH]c-2n1)c1ccccc1C(F)(F)F 587096663 ABWKESIOJMCOEX-SSDOTTSWSA-N 371.160 4.238 0 1 FIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)c(F)c(F)cc2[nH]1 587147314 KXKBHXALFTWJOK-UHFFFAOYSA-N 364.277 4.326 0 1 FIAF Fc1ccc(-c2cnn(Cc3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cc1 587165252 NJUQNKHVEHQLAO-UHFFFAOYSA-N 362.195 4.316 0 1 FIAF Cc1cc(C)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2c1 587234307 JCPJXTZKSQZDGH-UHFFFAOYSA-N 357.454 4.043 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2OC2CCC2)[C@H]1c1ccc(F)cc1 587352495 JSEQNRLAGLLCKB-URVUXULASA-N 368.404 4.361 0 1 FIAF COC(=O)c1ccc2c(c1)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587521968 DKQKHKLZEJSFJJ-QHCPKHFHSA-N 362.425 4.159 0 1 FIAF C[C@@]1(c2cccc(NC(N)=S)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531272 HGHAVMFRJSFLHU-NRFANRHFSA-N 366.486 4.102 0 1 FIAF C[C@]1(c2cccc(O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570744 XQRRLARIAMVTQL-LAUBAEHRSA-N 366.344 4.114 0 1 FIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587590344 CBIAYNZKBFVOTE-KNQAVFIVSA-N 362.381 4.412 0 1 FIAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587607006 GHUIETYJLLSRGG-UGKGYDQZSA-N 362.381 4.283 0 1 FIAF COC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637982 RXMWOONQZXPHKF-UHFFFAOYSA-N 363.291 4.339 0 1 FIAF O=c1c2cc(Cl)ccc2cnn1-c1nc(Cl)c(Cl)cc1Cl 587651843 PSTYNNQQNRAETI-UHFFFAOYSA-N 361.015 4.394 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN=O)(c2ccccc2)N1 587743173 WFSGXYSLFLOBPU-GTNSWQLSSA-N 363.230 4.132 0 1 FIAF CC(C)Cn1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587764785 QXFZOEOCWQCZOE-DIFFPNOSSA-N 366.278 4.064 0 1 FIAF CCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587775093 ZAQRHQZMRRHUCQ-BMLIUANNSA-N 365.246 4.006 0 1 FIAF Cc1c[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587794038 SLNRTWNVXGYRAP-QGHHPUGFSA-N 351.263 4.331 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ncccc23)N1 587801935 IMMZGEFUODRCLN-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF C[C@H]1CC(C)(C)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587817755 AVNKFLCEAZXBCZ-CSJMPQKXSA-N 368.290 4.343 0 1 FIAF CCOc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587856741 XPMOQCAMVNDFES-RMLUDKJBSA-N 371.275 4.067 0 1 FIAF COc1ccc([C@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCO4)cc1 587936385 KXTYLKHBLSZESJ-NRFANRHFSA-N 358.397 4.480 0 1 FIAF CO[C@H](C)COC1CCC(c2nc3c(Cl)c(Cl)cnc3[nH]2)CC1 587951641 HZYQVLODBAHLIC-KPPDAEKUSA-N 358.269 4.342 0 1 FIAF Cn1cccc1CN1CCc2sccc2[C@]1(C)CC(=O)c1cccnc1 962370627 GDDIVDYVKGSHCV-NRFANRHFSA-N 365.502 4.028 0 1 FIAF Cc1ccc(CC[C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962762396 IYHHUWVUDGSQSD-ICSRJNTNSA-N 361.407 4.489 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(C)nn(-c3ccccn3)c2C)N1 962941882 BHYAGEPRONILAO-QMHKHESXSA-N 371.488 4.379 0 1 FIAF CC[C@@]1(c2cc(C(=O)O)ccc2F)c2ccc(F)cc2C[C@H]2CCCN21 963113192 SGHIWISWVWAVCB-IERDGZPVSA-N 357.400 4.337 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCC(=O)O)c1ccncc1 963244389 WMYRDCQBTJULSB-JTSKRJEESA-N 352.478 4.237 0 1 FIAF CC(C)(C)OC(=O)N1CCCCC[C@H]1C[C@@]1(C)NCCc2ccc(O)cc21 963343784 WQBABXWWFZBDKV-HTAPYJJXSA-N 374.525 4.323 0 1 FIAF CC1(C)CN[C@]2(CC(=O)C[C@H](c3ccccc3)C2)c2cc3c(cc21)OCO3 963390869 NVAXFPXSTJXYIX-QMHKHESXSA-N 363.457 4.028 0 1 FIAF O=C(Nc1nc2cc(-c3ccc(F)cc3)ccn2n1)c1cccc(Cl)c1 1857572950 HRKDSNSRUUKKIK-UHFFFAOYSA-N 366.783 4.441 0 1 FIAF O=C(O)CCCCN1CCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1 1857617984 BFQGPHMYDUPORT-SFHVURJKSA-N 365.433 4.282 0 1 FIAF O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)N=C2SCCCN12 1857749965 XEAXSXZMJKZJSE-PDGQHHTCSA-N 368.433 4.081 0 1 FIAF CCCCCC=CC[C@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)OC 2356313399 XTTJWWYYCJFEAQ-VQTJNVASSA-N 350.499 4.247 0 1 FIAF Cc1cccc([C@H]2C[C@@]3(CC(C)(C)N=C(S)N3)Oc3cc(O)ccc32)c1 13556625 XCPZJDYJAXIWTF-UTKZUKDTSA-N 368.502 4.369 0 3 FIAF CCOc1ccc(-c2ncnn2-c2ccc(Br)cc2F)cc1 757953 LYHCTEDYHYISTQ-UHFFFAOYSA-N 362.202 4.235 0 1 FIAF CN(C(=O)c1cc2c(=O)n(C)c3ccccc3c2s1)C1CCCCC1 6771878 NTPFJMDHBWNKEZ-UHFFFAOYSA-N 354.475 4.158 0 1 FIAF CCCN(CCC)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21 13824812 HNMHBAFBGGDQEK-UHFFFAOYSA-N 370.884 4.400 0 1 FIAF Cc1c(O)c(=O)ccn1CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 26667975 DWWCRHXWYPQSBN-UHFFFAOYSA-N 357.494 4.406 0 1 FIAF NC(=O)c1sc2nc3c(c(/C=C/c4ccco4)c2c1N)CCCCCC3 49071434 GAPXEUQVAPEONE-MDZDMXLPSA-N 367.474 4.400 0 1 FIAF Cc1ccc(C(=O)n2nc(C)c3nnc4cc(Cl)c(F)cc4c32)cc1 95561265 FTQFBTMLLBSGPV-UHFFFAOYSA-N 354.772 4.077 0 1 FIAF CCCOc1ccc([C@H]2COC(=O)N2c2cc(C)c3[nH]cnc3c2)cc1 116829082 ATSKZZYZECAMAQ-GOSISDBHSA-N 351.406 4.358 0 1 FIAF CC(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 587020882 ZQPHLJYPDPRDGK-UHFFFAOYSA-N 372.450 4.160 0 1 FIAF Cc1ccc2c3c(c4c(nc13)C1=C(CC4)NC(=O)CC1)-c1ccccc1C2=O 587095992 FCQIOLLJMITMKG-UHFFFAOYSA-N 366.420 4.322 0 1 FIAF COC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(F)(F)F 587103461 IIDIVOSTWVAGCL-QGZVFWFLSA-N 371.314 4.265 0 1 FIAF Cc1ccc(-c2ccc(-c3nc4c(O)ncnc4[nH]3)c(Cl)c2)cc1F 587147518 RHZKWLGIEPHCFC-UHFFFAOYSA-N 354.772 4.493 0 1 FIAF Cc1ccc2c(ccc3nc(-c4ncc(Br)cc4F)[nH]c32)n1 587158423 YCYHEXZXXXZCDB-UHFFFAOYSA-N 357.186 4.383 0 1 FIAF O=C1C[C@@H]2C[C@@]3(C[C@@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 587348586 DLLIAGYDQHUJBZ-NUGMEJGNSA-N 366.388 4.018 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(Cl)cn1)O2 587379893 MFUTVEWYCDOVPY-QGZVFWFLSA-N 353.809 4.123 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CC[C@H](c4ccccc4)C[C@H]1OC)[C@@H](C2)C3=O 587441441 GZMCBQWZJKZHJV-IYTNZHEVSA-N 364.441 4.164 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C)C[C@H]1C(=O)OCC)CC2=O 587483178 VSFRDUKZALVQOB-UYTHQXMGSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@](COC(C)=O)(c1ccc(C)cc1)CC2=O 587484468 RWQNGEUKKPNDML-JOCHJYFZSA-N 368.429 4.077 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](CC(=O)O)c2ccccc21 587490014 QASFLJKMPDIABC-MCMMXHMISA-N 366.413 4.167 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2Cl)N1 587705667 NOPKJPNORGUKDZ-JDNHERCYSA-N 369.665 4.434 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2F)N1 587725547 QWBDCPZQAMNVQB-ZKANADHPSA-N 354.194 4.057 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Cl)cc2F)N1 587731363 ZCQIHQDVDPXOKL-KWKYVRJSSA-N 373.628 4.399 0 1 FIAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 587771528 MELQYSWPWFAWGX-XIKOKIGWSA-N 363.274 4.398 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccccn23)N1 587775527 RKNRCDIKIOAJJT-ZMZPIMSZSA-N 374.257 4.034 0 1 FIAF Fc1cnc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc12 587780896 LHPPOHIQEDRUOE-QPJJXVBHSA-N 362.202 4.090 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cc3ccccc3C2=O)N1 587829637 RRTVNHHNBYLHOK-WLRWDXFRSA-N 372.237 4.227 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)s2)N1 587844840 BYHBVGMSFOGUJC-JDNHERCYSA-N 369.303 4.339 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 587931298 RZEIVPGGTGFXJS-ADLMAVQZSA-N 373.250 4.485 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cnc3[nH]1)CC2 587938434 WMAHXYIRHFMBCG-NSHDSACASA-N 358.239 4.002 0 1 FIAF Cc1cc2c(cc1F)[C@@]1(CCC=C(NNc3ccc(F)cc3)C1)NCC2 962302555 UCNZIGQOYKZRGD-NRFANRHFSA-N 355.432 4.299 0 1 FIAF CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@]12NCCc1cc(C)c(F)cc12 962374561 LFIPYOXZGIKHJC-MSYCTHLASA-N 367.464 4.232 0 1 FIAF Cc1cccc(F)c1CN1C[C@H](c2cn(C)c3ccccc23)[C@@H](N(C)C)C1 1772644360 MJNFUMWCOKCILM-OFNKIYASSA-N 365.496 4.155 0 1 FIAF CCCOc1cc(O)c2c(c1)C=CCCC[C@H](O)CCC[C@H](C)OC2=O 1857627591 VAKPJPSYYNEHCE-RDJZCZTQSA-N 362.466 4.455 0 1 FIAF CCCNC(=O)[C@@]1(C)CCCN(Cc2ccccc2-c2ccccc2)C1 61926346 HVHQVUDECGUALK-QHCPKHFHSA-N 350.506 4.482 0 3 FIAF O=C1CS[C@@H](c2ccccc2Br)N1c1ccc(Cl)cn1 2947570 REKPIJZVDZZFPG-AWEZNQCLSA-N 369.671 4.276 0 3 FIAF CCN(CC)CCOc1ccc(Nc2nccc(-c3ccccn3)n2)cc1 26652081 QMFHRJVDVNGCCZ-UHFFFAOYSA-N 363.465 4.003 0 1 FIAF O=C(Nc1ccccc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2)cc1 100106024 RZGDTBCJGMJDEY-NUNAXRQHSA-N 369.468 4.325 0 1 FIAF COC(=O)C[C@H]1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1 100881419 KJQOEXRCADXDKA-FQEVSTJZSA-N 363.461 4.284 0 1 FIAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(C)cc3NC)c(C)nn12 28365395 ZFYZTWNGVRMCNX-UHFFFAOYSA-N 366.513 4.385 0 1 FIAF CC(C)Oc1cc(C#N)cc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)c1 118270354 WYEHNKGDPVIBAB-LJQANCHMSA-N 360.417 4.008 0 1 FIAF COc1ccc([C@](C)(O)c2nc(-c3ccc(F)cc3OC)cs2)cc1 61906961 MUTYZDOWQPBJMA-IBGZPJMESA-N 359.422 4.222 0 3 FIAF COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CCC(Cc2ccccc2)CC1 28634768 XYCUTALELYDXDC-VWNXMTODSA-N 363.501 4.072 0 1 FIAF C=CC1=CO[C@]23CC[C@H]1[C@]2(C)CC[C@H]1[C@H]3CC[C@@]2(O)C[C@@H](O)CC[C@]12C 2356536426 KIRLHPHUEPKCDT-JMECKCGPSA-N 358.522 4.344 0 1 FIAF CN1CCN(CCNc2cc(Cl)ccc2Sc2ccccc2)CC1 22938720 UXAOIRDLWPQLOJ-UHFFFAOYSA-N 361.942 4.151 0 1 FIAF c1ccc2c(c1)CC(CCN1CCC[C@@H](c3ccnc(NC4CC4)n3)C1)C2 40898214 OTGGRKWIRVAPBH-HXUWFJFHSA-N 362.521 4.035 0 1 FIAF COc1cc(-c2ccc3c(-c4nc5ccc(N)cc5[nH]4)n[nH]c3c2)ccc1O 43011816 VEWKFKWDXUFTFL-UHFFFAOYSA-N 371.400 4.070 0 1 FIAF CC(=O)N1N=C(Nc2nc3ccc(C)cc3s2)C[C@H]1c1ccccc1 45254838 XXKBBHOFXXLTFC-INIZCTEOSA-N 350.447 4.324 0 1 FIAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCCC2 49069576 PUKVKTYOJYYTEH-UHFFFAOYSA-N 359.425 4.141 0 1 FIAF NCCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 96907877 CGIAEEFOWSXYRP-UHFFFAOYSA-N 367.924 4.080 0 1 FIAF O=C(NCc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 473247899 JCUMLNYPNFFJAZ-UHFFFAOYSA-N 354.328 4.384 0 1 FIAF Oc1ncnc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12 587141459 UDJWRIHBNVRMNP-UHFFFAOYSA-N 370.384 4.296 0 1 FIAF COc1cc2c3c(c1)O[C@@H](C[C@@H](C)c1cn(C)c4ccccc14)[C@@H](C2)C3=O 587431224 NBLXLWYYLMKVRB-DUXSXAKTSA-N 361.441 4.497 0 1 FIAF Cc1[nH]c(C(=O)O)c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523144 GOTMHEAYDLSFHR-OAQYLSRUSA-N 353.418 4.089 0 1 FIAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1cc(O)cc(C(=O)O)c1 587926308 MREOQEKYVJDXHO-UHFFFAOYSA-N 367.401 4.431 0 1 FIAF Fc1cc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2cc1-n1cccn1 587138027 CCYLCSGWNPLLTC-UHFFFAOYSA-N 360.314 4.090 0 1 FIAF Cc1cc(C)c2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2c1 587014828 ZZXCAPBDGCLHSR-UHFFFAOYSA-N 358.467 4.328 0 1 FIAF COc1cc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1Cl 587175160 QIIVVYXOKIDMHM-ZDUSSCGKSA-N 358.804 4.088 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(N)cccc2F)N1 587722943 UQJAOVNFXXAGGC-XYZCENFISA-N 367.237 4.107 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cscc1Br)O2 587412203 HYDPKZFAQBCUDT-HNNXBMFYSA-N 352.253 4.282 0 1 FIAF Oc1ccccc1C1(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 586897276 YCOULHUTEGSFQU-UHFFFAOYSA-N 364.630 4.159 0 1 FIAF COc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1F 586979603 RJUHDQDILGHUHE-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc3cn[nH]c3cc2[nH]1 587044760 QYYHCZNWXXWRFV-UHFFFAOYSA-N 363.204 4.430 0 1 FIAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587775395 ZUATYJXLQAPJEL-DYZYQPBXSA-N 365.246 4.006 0 1 FIAF CN1C(=O)C[C@H]2CN[C@H](C(C)(C)Sc3ccccc3)c3cccc1c32 963027391 PZOCNASCBSQORY-XOBRGWDASA-N 352.503 4.352 0 1 FIAF C[C@H]1CCc2c(cc(Br)c(F)c2Br)N1C=S 1857760153 HRJAGBWLKOKNPD-LURJTMIESA-N 367.081 4.449 0 1 FIAF Cc1nn(-c2ccccc2)c2oc3ccc(Br)cc3c(=O)c12 12405794 AIYAQGQJZMZRHV-UHFFFAOYSA-N 355.191 4.203 0 1 FIAF CCn1cc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 12439577 JAFIERFWYHDPAD-MRXNPFEDSA-N 365.399 4.017 0 3 FIAF CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(F)cc2)cc1 13814316 GIGNIFGLIYEKNN-UHFFFAOYSA-N 366.480 4.493 0 1 FIAF COc1cccc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)c1 169303439 ISCLNEBJUCNYBA-HXUWFJFHSA-N 356.381 4.015 0 1 FIAF CCC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1C 169324392 DCBCMRJGUVAGSG-UHFFFAOYSA-N 366.421 4.048 0 1 FIAF CC[C@H](C)C(=O)c1c(O)cc(O)c(CC[C@](C)(O)CCC=C(C)C)c1O 1857569639 NODMLVBVRIETCT-LHSJRXKWSA-N 364.482 4.462 0 1 FIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(N4CCCC4=O)cc3)cc12 216015657 QNILMUODIJLUIJ-UHFFFAOYSA-N 354.793 4.313 0 1 FIAF O=C(c1ccc(F)cc1)C1CCN(CC[C@@H]2Cc3ccccc3C2=O)CC1 12356222 AVNSTIVMFUJDDN-LJQANCHMSA-N 365.448 4.166 0 1 FIAF CN1CCC(c2coc3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 13588431 HRWIWORTVMTKLU-UHFFFAOYSA-N 353.397 4.028 0 1 FIAF C[C@H](C(=O)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 36152997 SXZYCRORGALMIH-MXRWEVEXSA-N 361.526 4.187 0 1 FIAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 38422539 AKLDTUYECWDWIE-JJEOQYAHSA-N 350.506 4.053 0 1 FIAF O=C(COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccccc1 40865206 UKFRFLKGWKXEJD-UHFFFAOYSA-N 371.392 4.478 0 1 FIAF COc1cccc([C@H]2Cc3ccc(OC)cc3[C@H](CCNC(C)=O)C2)c1 40916045 PTHAYGOTNLRTGW-MOPGFXCFSA-N 353.462 4.044 0 1 FIAF Cc1cccc(Nc2nc(-c3ccncc3)c(CN3CCOCC3)s2)c1 45290432 CPSJEJDSIXKWFC-UHFFFAOYSA-N 366.490 4.089 0 1 FIAF Cc1cc(=O)c(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)[nH]1 45334471 BWFRLSYBUHBRHX-UHFFFAOYSA-N 373.861 4.145 0 1 FIAF O=C(N[C@H](CCCc1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1 49068174 ALMHNZJBLAPQMI-HXUWFJFHSA-N 365.404 4.185 0 1 FIAF COc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c(OC)c1OC 49115750 AVNPAHISDZUTSF-UHFFFAOYSA-N 352.312 4.275 0 1 FIAF O=C(C[C@@H]1C(=O)N(c2ccccc2)C[C@H]1c1ccccc1)Nc1ccccc1 72141734 UQFPHFQMGDRYTH-VXKWHMMOSA-N 370.452 4.462 0 1 FIAF C1=C(CCNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)CCCC1 82068433 JEQHVBOQDKZIKZ-UHFFFAOYSA-N 362.437 4.152 0 1 FIAF CN1C/C=C/COCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)C1 82155021 VNUICWVLRHUNJF-NSCUHMNNSA-N 372.472 4.405 0 1 FIAF NC(=S)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 96915593 MLKHJQGUYTVEGG-UHFFFAOYSA-N 353.394 4.254 0 1 FIAF C[C@@H](Oc1ccc(Cl)c2ccccc12)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102071401 NGKJZFHEDSISDF-ILXRZTDVSA-N 373.880 4.429 0 1 FIAF Cc1cccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)c1 103261671 NMYRSMPXUDBLQZ-UHFFFAOYSA-N 358.449 4.492 0 1 FIAF Cc1cccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)c1 143177881 CZDSZLZSVCCXGV-UHFFFAOYSA-N 365.433 4.071 0 1 FIAF O=C(NC[C@H]1[C@@H]2CN(CC3CCCC3)C[C@H]12)c1cc(Cl)cc(Cl)c1 254046570 RUZUQFYMMUPIPE-NNZMDNLPSA-N 367.320 4.091 0 1 FIAF CN(C(=O)c1ccccc1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1 299857370 CRPVIDJZMQAHEI-UHFFFAOYSA-N 367.412 4.383 0 1 FIAF C[C@@H]1CCCN(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 586988882 YXDMSEGCHHPMNL-CQSZACIVSA-N 358.441 4.384 0 1 FIAF O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 586996665 IVXJJCDUZSAMDN-CYBMUJFWSA-N 355.594 4.200 0 1 FIAF Fc1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587002383 KUOCNHCEHRMPJK-UHFFFAOYSA-N 359.202 4.057 0 1 FIAF Clc1ccc2c(c1)C[C@@H](c1nc3cc(Br)ncc3[nH]1)O2 587081426 VVCBDKGPHNPJQL-LBPRGKRZSA-N 350.603 4.050 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2cc(C)cc(C)c2[nH]1)C(F)(F)F 587093651 XIYADULHBDLDIN-SFHVURJKSA-N 363.383 4.343 0 1 FIAF CCOC(=O)[C@@H]1[C@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@H]21 587098460 SGQMBPUGGIZOPC-CWFSZBLJSA-N 369.420 4.203 0 1 FIAF Cc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br 587156071 LOIFKTVNDRNMRD-APPDUMDISA-N 360.230 4.114 0 1 FIAF CC(C)CCOc1cc2nc([C@@H](N)C(C)C)[nH]c2cc1Br 587258507 FKCSXCXIKPRSPE-HNNXBMFYSA-N 354.292 4.406 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(Cn1nc(C)c(Cl)c1C)CC2=O 587461702 LWJJGLNFAKWTCN-LJQANCHMSA-N 362.857 4.236 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(OC)c(O)c1)CC2=O 587476094 DBJKWJMYGFFDRF-JOCHJYFZSA-N 370.445 4.416 0 1 FIAF C[C@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555205 ZGNGAPICPPXTQJ-OXJNMPFZSA-N 367.788 4.318 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)ccc12 587573512 ZDUMCKGVTNZIQZ-KNQAVFIVSA-N 362.356 4.335 0 1 FIAF CC(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)co1 587587964 QTAIAQDFMJBGIQ-VQIMIIECSA-N 351.358 4.207 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccccc2n1 587589172 VYCSGRALQHTAQB-KNQAVFIVSA-N 370.364 4.038 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncccc3[nH]2)N1 587802349 LMGWTQSTTGLDIH-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccccc4F)c3O)c2)=N1 587938453 XPLFEKPULMEGBJ-UHFFFAOYSA-N 366.392 4.250 0 1 FIAF O=C(Nc1n[nH]c(-c2ccc(O)cc2)c1-c1ccc(O)cc1)c1ccccc1 653901706 GTEREUPHSJLZKH-UHFFFAOYSA-N 371.396 4.407 0 1 FIAF C[C@@]1(Cc2cc(Cl)cc(Cl)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962905267 DEMQSDHVHUYIMJ-YJBOKZPZSA-N 368.235 4.189 0 1 FIAF COc1ccc(OC)c(-c2cc(F)cc([C@@H](CC(=O)O)c3ncco3)c2)c1 1772624402 QFUGAIVVACGELA-QGZVFWFLSA-N 371.364 4.105 0 1 FIAF CC(=O)Nc1nc(C)c(-c2csc(N(C)C3CCCCC3)n2)s1 1857558703 QAVVZXNUWOEKCV-UHFFFAOYSA-N 350.513 4.302 0 1 FIAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H]2CC(=CCCCC(=O)O)C[C@H]21 2356712303 XZFRIPGNUQRGPI-LCWAXJCOSA-N 350.499 4.072 0 1 FIAF CC(C)CCCOc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1 2382241029 IVUJTJNZIQCNAA-AVRDEDQJSA-N 369.505 4.455 0 1 FIAF COc1ccccc1[C@H]1CC(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C1 27085779 FHXQCOLQAWTJAQ-LLVKDONJSA-N 353.805 4.103 0 1 FIAF C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5oc(C(=O)O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27425484 YRTQKPWOTFXIJI-IOARXWTBSA-N 358.478 4.296 0 1 FIAF CSc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O 36161230 LKGYNKMSNWPZOA-UHFFFAOYSA-N 374.421 4.299 0 1 FIAF Cc1cccc(N2C[C@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)c1 44434936 XTIBTHQFEFOGNS-CQSZACIVSA-N 353.809 4.219 0 1 FIAF O=C1c2cc(Cl)ccc2N(CC2CC2)C(=O)CN1CC1CCCCC1 95559726 BJWROSSFWYZNHG-UHFFFAOYSA-N 360.885 4.119 0 1 FIAF Cn1cc(-c2ccc(Cn3c4ccccc4c4nccnc43)c(F)c2)cn1 95596070 HRFMZTUDTILTMS-UHFFFAOYSA-N 357.392 4.172 0 1 FIAF NCCN1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101061042 HKONLYZKJHOXAP-WKCHPHFGSA-N 372.459 4.025 0 1 FIAF CCCN(CCC)C(=S)N1CCC(c2cccc(Br)c2)=N1 103186254 PLLNOANNXCPYRE-UHFFFAOYSA-N 368.344 4.266 0 1 FIAF CCCCn1c(=O)c2c(c3cc(C(=O)N(C)C4CC4)ccc31)CCCCC2 169328904 PQQZHNPHYQPDLD-UHFFFAOYSA-N 366.505 4.305 0 1 FIAF O=Nc1c([C@@H]2C(=O)Nc3ccc(Br)cc32)[nH]c2ccccc12 169692013 DPDJISJVRWDJBN-CYBMUJFWSA-N 356.179 4.412 0 1 FIAF Nc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ccsc2n1 218995231 IIVAKURQLZNSHV-UHFFFAOYSA-N 372.457 4.225 0 1 FIAF O=C(Nc1ccccc1)C1CCN(c2c(Cl)cncc2Cl)CC1 299858894 FBVBFCUVASPMFU-UHFFFAOYSA-N 350.249 4.244 0 1 FIAF Cc1ccc(-c2ccc(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)cc2)o1 586905505 RDYBHLBLRVEPDP-UHFFFAOYSA-N 354.387 4.045 0 1 FIAF Cc1cccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 586999715 HGHBTYBDEMYYAI-UHFFFAOYSA-N 371.190 4.113 0 1 FIAF Cc1nc(C2CC2)sc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587012715 SHWXXQDHYBUIBD-UHFFFAOYSA-N 359.764 4.286 0 1 FIAF CC(=O)c1cnn(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098248 SHKGQHAGHXPLTE-UHFFFAOYSA-N 367.408 4.358 0 1 FIAF COC(=O)C(F)(F)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587103751 KZZOGIBKYKKOAQ-UHFFFAOYSA-N 353.324 4.019 0 1 FIAF Cc1nc2[nH]c(Cc3c[nH]c4ccc(F)cc34)nc2cc1Br 587175193 RZCVDOAGLMRENP-UHFFFAOYSA-N 359.202 4.240 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cncc1Br)O2 587374019 WMCPNNBNOOTQRX-CYBMUJFWSA-N 367.630 4.095 0 1 FIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F 587381237 DJWUQWRYAJMPNJ-MRXNPFEDSA-N 363.360 4.284 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(Br)c1C)[C@@H](C2)C3=O 587413405 OEJWGVVTRXDQNN-SCLBCKFNSA-N 359.219 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1sccc1Br)[C@@H](C2)C3=O 587454420 YGUMQPKSLQODAA-MGPLVRAMSA-N 365.248 4.182 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(O)c(OC)c1)CC2=O 587458389 AXXCZNIZLVJSIB-INIZCTEOSA-N 362.809 4.419 0 1 FIAF O=C1C[C@@](c2cnoc2)(c2ccccc2O)Oc2c1ccc1c2CCCC1 587528317 WWDCFYMBQXHUCR-JOCHJYFZSA-N 361.397 4.168 0 1 FIAF CCCCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576541 JHYOULXKXYBNSM-YLJYHZDGSA-N 364.401 4.092 0 1 FIAF CC(C)[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587640 NQPFFZQSFZKIBU-UGKGYDQZSA-N 361.397 4.300 0 1 FIAF Cc1ccc(C(=O)O)cc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659870 HGTUEYHAKCZVNE-UHFFFAOYSA-N 374.371 4.198 0 1 FIAF Cc1ccccc1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661404 YQLYJJWSNGTXPC-UHFFFAOYSA-N 372.399 4.394 0 1 FIAF CC(C)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 587776965 ZJDHUMBAEIDFLD-BJOHPYRUSA-N 353.235 4.323 0 1 FIAF CCOC(=O)[C@]1(c2ccc(Cl)c(C)c2)NCCc2cc(C)c(F)cc21 962093281 PDDBPQPGVZEAIU-HXUWFJFHSA-N 361.844 4.048 0 1 FIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2cccc(C(F)(F)F)c2Cl)N1 962890014 ALHVGCSGLPPWMP-DZGCQCFKSA-N 373.733 4.186 0 1 FIAF COCCCOc1ccc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1 963097810 HRTAGWFACNLZGA-AVRDEDQJSA-N 355.453 4.351 0 1 FIAF CCCc1ccc(C(=O)C2CCN(C(=O)c3cccc(O)c3)CC2)cc1 1857550932 QKKJOHGHDJEBBB-UHFFFAOYSA-N 351.446 4.080 0 1 FIAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](OC(C)=O)[C@H]21 1857646044 NJFIIHKWGIDUPZ-UGESXGAOSA-N 370.445 4.158 0 1 FIAF CN(C)CCCN1C(=O)N(C)c2ccc(Cl)cc2[C@@H]1c1ccccc1 13553538 JFENRDVPMSZMQD-IBGZPJMESA-N 357.885 4.253 0 1 FIAF CC(C)=CC[C@@](C)(O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27889032 JKZODUNXNSYOAN-YCXYWVQESA-N 368.514 4.082 0 1 FIAF Cc1cnc(N[C@@H](C)c2ccc(F)cc2)nc1Nc1cc(C2CC2)[nH]n1 40848260 DBZVTBOJQKIYAI-LBPRGKRZSA-N 352.417 4.441 0 1 FIAF CCCCn1c2ccccc2c2cc(CNCCN(CC)CC)ncc21 53243938 NLNWBZLXBSJHHS-UHFFFAOYSA-N 352.526 4.421 0 1 FIAF C[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@H](OC2CCCCCCCCCCCC2)O1 58660870 LWQXCAWVTFBYID-PMXSJFBMSA-N 355.563 4.492 0 1 FIAF in-vitro CCCCOC(C)(C)[C@H](O)COCc1c2ccoc2cc2oc(=O)ccc12 70455571 YRBXEIZZSULQFM-LJQANCHMSA-N 374.433 4.012 0 1 FIAF biogenic CN(C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C1CCC1 144696481 DDZNXWPEFLHERY-IBGZPJMESA-N 361.363 4.090 0 1 FIAF CN1[C@H]2CC[C@@H](OC(=O)N3c4ccccc4Sc4cccnc43)[C@H]1CC2 169368942 MMNMRACPVNWKDQ-IIAWOOMASA-N 367.474 4.446 0 1 FIAF Cc1ccc2c3c(cc(-c4cn5cccnc5n4)nc13)-c1ccccc1C2=O 587098979 XQSCTMJGSMHENY-UHFFFAOYSA-N 362.392 4.464 0 1 FIAF COc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1F 587133623 WQQMEDPMKJAQSJ-UHFFFAOYSA-N 357.143 4.388 0 1 FIAF O=C(/C=C\c1nc2cccc(Br)c2[nH]1)Nc1ccc(F)cc1 587166216 AGWXDRKXICYIQH-HJWRWDBZSA-N 360.186 4.116 0 1 FIAF C[C@@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171996 CYQIFTOTBWEUDC-INIZCTEOSA-N 366.179 4.032 0 1 FIAF O=C(/C=C\c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)Nc1ccccc1 587243884 JVNKOCHOXBSGQK-YPKPFQOOSA-N 367.408 4.446 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccnc3C(=O)O)cc1)O2 587393201 CTITXALKNKZEGE-LJQANCHMSA-N 374.396 4.044 0 1 FIAF CC[C@@H](C)n1nc(C)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417848 FFOZDXFMZHAHBQ-HZCCJMTMSA-N 360.841 4.313 0 1 FIAF COc1ccc(-n2ccnc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516752 WEOAUMVNQBOFDN-NRFANRHFSA-N 374.440 4.466 0 1 FIAF COC(=O)[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587522160 FFOQOXNOOZFTFR-FDDCHVKYSA-N 362.425 4.086 0 1 FIAF CC(=O)Nc1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536339 UWVJJAQDJRVFRC-FQEVSTJZSA-N 370.474 4.169 0 1 FIAF CN(C)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570083 HZRUJUALHINXPB-DENIHFKCSA-N 361.397 4.161 0 1 FIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587590343 CBIAYNZKBFVOTE-DENIHFKCSA-N 362.381 4.412 0 1 FIAF CC(=O)Nc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CC(=O)O)cc1 587630757 CIVNMBQQZNXDGQ-UHFFFAOYSA-N 360.772 4.213 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cnccc32)N1 587777386 GZQAGUWZWTYUIP-ZMZPIMSZSA-N 361.258 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3C[C@H]2CCC3=O)N1 587826079 GHLMVQVUCIZPMY-VNKCHVJCSA-N 366.274 4.097 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)CN1CCC(C)CC1 587871904 FAKOZLMXODHWLQ-INIZCTEOSA-N 373.472 4.096 0 1 FIAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963103690 LWDGLOBNCZBZNE-ZWCUEREDSA-N 359.485 4.431 0 1 FIAF CC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCC(=O)O)cc12 1857582144 AJGIAOZUTGDMKP-UHFFFAOYSA-N 365.429 4.444 0 1 FIAF COc1cccc(N=c2[nH]c(-c3cccc(OC)c3)nc3ccccc23)c1 1857636300 NQCVYTWHAXYWQY-UHFFFAOYSA-N 357.413 4.480 0 1 FIAF CC(=O)Nc1cccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)c1 61909002 BOYIQMVMHKGOHY-KRWDZBQOSA-N 360.385 4.128 0 3 FIAF COc1ccc(/N=c2\[nH]ccc3[nH]c(-c4cccc(C)c4)nc23)cc1OC 74386778 XMQKLLPRZFZXEQ-UHFFFAOYSA-N 360.417 4.116 0 3 FIAF O=C(CC1CCCC1)N1CC[C@H]2[C@H](CCCN2Cc2ccc(F)cc2)C1 199407739 OGAMSAMACKKPGG-CTNGQTDRSA-N 358.501 4.219 0 3 FIAF CCOC(=O)[C@@H](Cc1ccccc1)Nc1nc2ccc(CC)cc2s1 28018799 HKJLSGJNAZPUBE-QGZVFWFLSA-N 354.475 4.445 0 1 FIAF O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1C(=O)C[C@H]1c1ccccc1 28525046 GMLNMOGSFGZVEE-JTHBVZDNSA-N 370.452 4.018 0 1 FIAF C[C@@H]1[C@H](c2ccc(F)cc2)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 105518615 WTOYXTZDCYEBQM-OBVPDXSSSA-N 355.409 4.137 0 1 FIAF O[C@@H]1/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)N2CCC1CC2 102429988 LPXUPIFUOZFOIK-UWYGHVLSSA-N 362.448 4.256 0 1 FIAF COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccccc2)cc1 103236532 HRJFNDVIZNTIBG-NFBKMPQASA-N 370.408 4.061 0 1 FIAF CCC(=O)[C@@H](c1cccc(O)c1)C1CCN(CCc2ccccc2)CC1 27873243 ZAQDYENDPSOJNL-HSZRJFAPSA-N 351.490 4.410 0 1 FIAF COCCCNC(=O)c1cccc2c(-c3ccc(OC)cc3C)coc12 61906553 BBATVYKRASILPE-UHFFFAOYSA-N 353.418 4.183 0 3 FIAF FC(F)(F)c1cccc(CN2CC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114332321 PLCVJJUVIKQFPG-QGZVFWFLSA-N 360.383 4.268 0 1 FIAF CCOC(=O)C1=C(C)N=C(C)N(C(=O)OCC)[C@@H]1c1ccccc1Cl 26466573 RAWYSFMYGLCBOS-MRXNPFEDSA-N 364.829 4.109 0 1 FIAF CC1(C)C(=O)Nc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc21 117622754 LEOUBWWDMKISSF-NQIIRXRSSA-N 374.484 4.251 0 1 FIAF O=C(CN1CCCCC1)NN1c2ccccc2Sc2ccc(Cl)cc21 73163716 JQQPIOIJGXIPLF-UHFFFAOYSA-N 373.909 4.460 0 1 FIAF COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3sc(C)nc3C)n12 73159094 XFCSSYSGGAIHKK-UHFFFAOYSA-N 356.426 4.387 0 1 FIAF CCCCN1N=C2/C(=C/c3cccnc3)CSC[C@H]2[C@H]1c1cccnc1 40651146 WOTJSQHJCFYICK-BZXOFEEUSA-N 364.518 4.436 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2)c(-c2ccccc2)n1 82133620 BAXKOQYAORADEN-INIZCTEOSA-N 360.461 4.284 0 1 FIAF O=C(O)COc1c(C(=O)O)sc(-c2ccccc2)c1-c1ccccc1 40568264 PIPWVJPRIROLAB-UHFFFAOYSA-N 354.383 4.244 0 1 FIAF COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(F)cc2)cc1 473096733 ZRAVVMFGCOWAMK-UHFFFAOYSA-N 357.406 4.302 0 1 FIAF CNc1c(F)cccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587135621 KDOQNIUKXSOYDQ-UHFFFAOYSA-N 355.598 4.222 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ncccc32)N1 587776168 BIUWNZIJZAOHJW-ZMZPIMSZSA-N 361.258 4.097 0 1 FIAF Brc1ccc(-c2ccc(/C=C/c3nc4ncc[nH]c-4n3)o2)cc1 586999107 VRNKIRAQLSBYJE-SOFGYWHQSA-N 367.206 4.497 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1F 587566956 CNQJVEQWILLSBK-XLIONFOSSA-N 354.308 4.373 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(OC)OC)ccc1F)CC2=O 587466191 KJOAQRDZFVCUCN-LJQANCHMSA-N 374.408 4.482 0 1 FIAF Cc1cc(Cl)cc2nc(-c3cncc(I)c3)[nH]c12 587185361 SDTHHAZVJNIVOB-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF COc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1F 587018128 WJPMDEUNCWBSJP-UHFFFAOYSA-N 367.405 4.436 0 1 FIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 587242160 OFTLJDDCDRPYBC-UHFFFAOYSA-N 363.421 4.187 0 1 FIAF CC[C@@]1(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)CC(=O)c2ccccc2C1 587960499 MBSGCALMHRCWGN-RTWAWAEBSA-N 362.433 4.055 0 1 FIAF Nc1nc(Nc2ccc(Br)cc2)c2c(n1)-c1ccccc1C2 1772602290 UQZHWHRWEYLJNU-UHFFFAOYSA-N 353.223 4.136 0 1 FIAF O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 13674300 QOXZWRNEYHCQOU-HXUWFJFHSA-N 359.897 4.137 0 1 FIAF c1ccc(CN2CCC(CCNc3ccc(-c4cccnc4)nn3)CC2)cc1 13863646 SWDPRZJHKKUJIL-UHFFFAOYSA-N 373.504 4.253 0 1 FIAF CCCCn1c(Sc2nc3cccc(C)c3s2)nc2c(N)ncnc21 14974472 XIOLYGPFGWRMPK-UHFFFAOYSA-N 370.507 4.278 0 1 FIAF Fc1ccc2nnn(Cc3ccc(-c4ccc(Cl)cc4F)nc3)c2c1 1857596545 YBRRVKPEVCHSJM-UHFFFAOYSA-N 356.763 4.473 0 1 FIAF Cn1ccnc1[C@@H]1c2c(nc3c(c2N)CCC3)Oc2ccc3ccccc3c21 1857604912 LQKOLOVDRSUSNU-IBGZPJMESA-N 368.440 4.325 0 1 FIAF O=C(NCc1ccccc1)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 1368641 ARAJATJJJRLDAZ-VXKWHMMOSA-N 363.505 4.072 0 1 FIAF CCN1c2ncc(CCc3ccccc3)cc2C(=O)N(C)c2cccnc21 5842298 GPYMFXQBCZGSRA-UHFFFAOYSA-N 358.445 4.010 0 1 FIAF CO[C@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 13472041 IJKYJDDNDXAREJ-JOCHJYFZSA-N 351.490 4.156 0 1 FIAF COc1c2c(c3ccoc3c1OC)O[C@@H](c1ccccc1)[C@H](OC)[C@@H]2OC 13480416 CJDWWGLVOLCWPW-CVAIRZPRSA-N 370.401 4.286 0 1 FIAF COc1c(O)ccc2c1[C@@H](OC)N(C)c1c-2ccc2cc3c(cc12)OCO3 15043403 CWORGVRJZYKBGS-OAQYLSRUSA-N 365.385 4.045 0 1 FIAF biogenic COc1ccc([C@@H](O)CN[C@H](C)CCc2ccccc2)cc1C(F)(F)F 45226737 WEPWGSSSKNZVNI-KDOFPFPSSA-N 367.411 4.358 0 1 FIAF O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)c1ccc(F)cc1 64549479 CSDYBXLQWQTGIY-FQEVSTJZSA-N 355.315 4.096 0 1 FIAF COc1cc(C(=S)NCc2ccc(F)c(C(F)(F)F)c2)ccc1O 66147791 PXPZPGMYQSIVAG-UHFFFAOYSA-N 359.344 4.024 0 1 FIAF CCN(C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccco1 82142902 NNFVSYBNYSAPPN-UHFFFAOYSA-N 370.840 4.094 0 1 FIAF CCCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccccc2F)n1 82151966 LZBBCRDTGHWDRK-UHFFFAOYSA-N 356.445 4.121 0 1 FIAF O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1cc(Cl)ccc12 100018507 BRWUNEOEROYDIR-UHFFFAOYSA-N 357.772 4.140 0 1 FIAF O=C(CCCN1C[C@@H]2CC[C@@H](C1)N2c1ccccc1)c1ccc(F)cc1 101203162 OWMYGKYXZFSRMD-SFTDATJTSA-N 352.453 4.142 0 1 FIAF CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1cc(Cl)ccc1C 102300961 HQFLBXVBZUXHHO-HNNXBMFYSA-N 360.870 4.381 0 1 FIAF O=C(O)c1ccccc1Nc1nnc(COc2ccccc2Cl)s1 103179705 MKHAEYOPCFKCMK-UHFFFAOYSA-N 361.810 4.212 0 1 FIAF CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2cc(Cl)ccc21 169316362 BKASHDADAWPDEB-UHFFFAOYSA-N 356.761 4.439 0 1 FIAF CC(C)C[C@H]1C[N+]2=C(NC[C@@H]2C2CCCCC2)N1CC1CCC(C)CC1 169721182 YUFCTXRFOLKQOF-IJZHQTRZSA-O 360.610 4.464 0 1 FIAF COc1cccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)c1 200417112 OJGIYWMKIUEWTC-NZQKXSOJSA-N 374.440 4.066 0 1 FIAF Cc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O 473101542 JWASULNSAUODII-OAHLLOKOSA-N 365.408 4.131 0 1 FIAF O[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C1CCOCC1 586913785 OOMBNLHQHBIXCB-GFCCVEGCSA-N 368.277 4.061 0 1 FIAF N=c1[nH]ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587072325 YNHIDYZRGCPOHP-UHFFFAOYSA-N 350.809 4.270 0 1 FIAF Fc1cnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 587117014 PRHUMKQUWYKADM-UHFFFAOYSA-N 373.741 4.086 0 1 FIAF COc1cccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c12 587258724 RFZHXXNUJUKTME-KRWDZBQOSA-N 374.444 4.143 0 1 FIAF CC[C@H](C)Oc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587442908 ZQPOWFILDBVTPI-ONJZCGHCSA-N 368.429 4.370 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc3[nH]c(=N)oc13)CC2=O 587460362 HKIAVMWAQZAYRK-MRXNPFEDSA-N 372.808 4.258 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(C(=O)OC)c1)CC2=O 587480215 NZLSYLAOZZHDAG-LJQANCHMSA-N 354.402 4.146 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)([C@H](C)O)CC2=O 587485902 SAYVZVTZSBDMBS-XMHCIUCPSA-N 365.429 4.068 0 1 FIAF COc1cc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587506857 QFRHRJNLUWVBNI-GOSISDBHSA-N 356.393 4.428 0 1 FIAF C[C@]1(c2ccc(NC(N)=S)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531244 GWAIIYCQQAMWGW-OAQYLSRUSA-N 366.486 4.102 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccn1 587546172 IVWLPMQEYMNBOL-QFBILLFUSA-N 353.761 4.144 0 1 FIAF COc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587558481 SOQXYYWAPQUOND-GHTZIAJQSA-N 366.344 4.243 0 1 FIAF CC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587604560 WUXUAOHLYDVSKH-KNQAVFIVSA-N 360.365 4.298 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)ncn3C)N1 587755262 HHQWJXRCKXWOEC-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF CCCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587762774 FXRHEYSQRVYMCS-QGHHPUGFSA-N 366.278 4.127 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N2CCCCC2)N1 587764895 HHHZIGSBNFCCRR-PXAZEXFGSA-N 369.322 4.428 0 1 FIAF CC(C)CN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587765477 CMKOGDPHMVECML-ZDUSSCGKSA-N 369.322 4.070 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(C2CC2)N1 587776052 VVKKVPWBLLLZMT-ZMZPIMSZSA-N 361.258 4.171 0 1 FIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 587784805 JNTZPRPRMJUAET-WDEREUQCSA-N 362.763 4.438 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(Cl)n2)N1 587856064 XSYYVHCQEQFVJX-SREIQFSDSA-N 361.667 4.322 0 1 FIAF COc1ccccc1CC(=O)c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 587929425 JQDZOAWLHPVWOH-UHFFFAOYSA-N 370.408 4.228 0 1 FIAF COc1ccccc1[C@]1(c2ncco2)c2c(F)cccc2C[C@@H]2CCCN21 963095685 CZPYFTXSDVZHMC-KSFYIVLOSA-N 364.420 4.135 0 1 FIAF COCCOc1cccc(F)c1[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963110517 VOHMIWMLRBOESH-VGSWGCGISA-N 373.443 4.274 0 1 FIAF COc1ccccc1NC(=O)COc1cc(C)nc2ccc(Cl)cc12 1772605577 PGHQLOYBPXIKMY-UHFFFAOYSA-N 356.809 4.223 0 1 FIAF NC(=S)c1cccc(-c2cn(C[C@@H]3CC3(F)F)c3cc(N)ccc23)c1 1857606061 UDJOJYPNQMDKPM-ZDUSSCGKSA-N 357.429 4.180 0 1 FIAF CN1CCC(N(C)C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)CC1 1911582210 NWSNQNSSFKPUNU-LHHMWQFHSA-N 366.549 4.077 0 1 FIAF O=C(Nc1cccc(F)c1)N1CCOc2ccc(-c3ccncc3)cc2C1 2382253836 MPAVXYLHUSVJHL-UHFFFAOYSA-N 363.392 4.314 0 1 FIAF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]21 13298519 VQHQLBARMFAKSV-WIYBCGNWSA-N 356.462 4.400 0 3 FIAF in-vitro CCC[C@H]1[C@@H](OC(=O)NC2CCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713239 ROJGYUDKOHYFLG-OEMYIYORSA-N 362.514 4.005 0 3 FIAF CN(C)CCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl 1634416 AXJJPQPZWHVERL-UHFFFAOYSA-N 352.265 4.028 0 1 FIAF COc1cccc(-n2c(N)c(-c3nc4ccccc4[nH]3)sc2=S)c1 3018935 JLPABOFKPSYVDB-UHFFFAOYSA-N 354.460 4.402 0 3 FIAF C[C@]12CC[C@H](O)[C@](C)(C(=O)O)[C@H]1CCC1=C2Cc2c([nH]c3ccccc23)C1 2356341536 QYWNSXINTFHPNN-JFJDKTSWSA-N 365.473 4.225 0 1 FIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccccc3OC)cc2)C[C@H]2CC[C@H]1N2C 100862038 CCWOTPZOCKHRAQ-UGGKCQTMSA-N 365.473 4.102 0 1 FIAF FC(F)(F)Oc1cccc(Cn2cnc3c(-c4ccco4)ncnc32)c1 28476425 UDOPROGLASTYTB-UHFFFAOYSA-N 360.295 4.033 0 1 FIAF NC1(c2ccc(-c3nc4ccccc4c(=O)n3-c3ccccc3)cc2)CCC1 84705538 RZIKDNGIUPBPPO-UHFFFAOYSA-N 367.452 4.391 0 1 FIAF COc1cc(/C=C(/Cc2c[nH]c3ccccc23)[N+](=O)[O-])cc(OC)c1OC 84714327 ABHIVKPQLVPYME-NVNXTCNLSA-N 368.389 4.054 0 1 FIAF CC1CCC(NC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)CC1 95566720 WBUFEAWSSYRNGG-UHFFFAOYSA-N 351.372 4.404 0 3 FIAF COc1cc(OCc2ccc(Cl)nc2)ccc1CNCc1ccncc1 299832282 FRIJCFITHNGTMS-UHFFFAOYSA-N 369.852 4.007 0 1 FIAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1 299845756 YKWKDJKRPXBHQV-LPHOPBHVSA-N 367.468 4.141 0 1 FIAF Cc1cc(NCc2ccccn2)n2ncc(C3=CCC(F)(F)CC3)c2n1 473152842 VXFYEVQZKMZESY-UHFFFAOYSA-N 355.392 4.247 0 1 FIAF COc1cccc(-c2cc(O)cc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2)c1 587932557 GFZFZPWEHLSWOJ-FQEVSTJZSA-N 374.400 4.335 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCCCN1)CC2=O 587483775 LMBWUYSDKXIBBA-JTHBVZDNSA-N 365.473 4.348 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)C1CCCC1 587227495 YFKZDVKIIVGHRO-HZPDHXFCSA-N 373.457 4.043 0 1 FIAF Cc1cc(F)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 587003325 SZTGHFLONRSXOR-UHFFFAOYSA-N 373.229 4.365 0 1 FIAF Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 587612618 MECYPDLXBHLVOY-UZLBHIALSA-N 367.426 4.343 0 1 FIAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)n1 587079234 HVZXPNGLSHNBQM-QMMMGPOBSA-N 367.236 4.491 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(C(=O)O)c3)o1)O2 587414576 WBUWPAOEJNVPHE-LJQANCHMSA-N 363.369 4.242 0 1 FIAF Cc1ccncc1CC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587775651 SSOWKTIRUIHYEV-SGTLLEGYSA-N 363.274 4.500 0 1 FIAF Clc1c[nH]c2nc(COc3ccccc3C3SCCS3)nc-2n1 587042677 VVRYNSFXXMGTFQ-UHFFFAOYSA-N 364.883 4.016 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc4cnc(Cl)cc4c1)[C@@H](C2)C3=O 587420340 KIZINRLDDWGVTN-MGPUTAFESA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1N1CCCCCC1)[C@@H](C2)C3=O 587440725 BRIUUUFQAUSALH-LQBOVUBWSA-N 355.478 4.000 0 1 FIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1N 587740394 ATIDTIFIPZOCGF-ADLMAVQZSA-N 363.274 4.277 0 1 FIAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)cc(Cl)c3[nH]1)C2 587246193 DKZGNDBVVPPQAE-GOSISDBHSA-N 362.260 4.221 0 1 FIAF CC(C)(CC(=O)O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601850 FXBZSZQMXTYPJG-UWJYYQICSA-N 370.401 4.004 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C=O)o4)cc1)[C@@H](C2)C3=O 587457143 ZSADRNFHIZGREH-MBSDFSHPSA-N 374.392 4.431 0 1 FIAF COC[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353643 ZQVUODHHJAADBW-IFMALSPDSA-N 370.420 4.466 0 1 FIAF CS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 586925019 DVAYPAXRHHKESL-UHFFFAOYSA-N 374.771 4.306 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(O)cc32)N1 587834044 QJTKYXOGRBNBQM-MLCYQJTMSA-N 362.242 4.018 0 1 FIAF Cc1cncc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586961542 VVHOCPDYLQJTTC-SANMLTNESA-N 361.470 4.305 0 1 FIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587043502 RRXRFUXKTLXVPF-LLVKDONJSA-N 357.401 4.202 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3[nH]ncc23)N1 587798694 VLLIEHMUXVTYMK-HUTHGQBESA-N 360.230 4.088 0 1 FIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccc(OC)cc4)c3)[nH]c2n1 587934968 JPDVJOUWJKJCPM-UHFFFAOYSA-N 359.385 4.087 0 1 FIAF CCn1cccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755741 QJPSFNVVFJTKBY-APPDUMDISA-N 351.263 4.207 0 1 FIAF CCOc1cc(/C=C\c2nc3ccc(C(=N)N)cc3[nH]2)ccc1OC(F)F 587131239 XWNMJRYJNVNFHK-YWEYNIOJSA-N 372.375 4.017 0 1 FIAF Cc1cc2c(cc1F)[C@@](c1ccc(Cl)cc1)([C@H](C)CC(=O)O)NCC2 962140924 AAMJTMJQLDQBKI-XCLFUZPHSA-N 361.844 4.288 0 1 FIAF Ic1cc2c(s1)CCN1Cc3ccccc3C[C@@H]21 1857748410 QLDXIRRCSZJNEQ-ZDUSSCGKSA-N 367.255 4.008 0 1 FIAF O=C1Nc2ccc(Cl)cc2[C@](OCc2cccnc2)(C(F)(F)F)O1 5933511 QYUQDALGRRTKTL-CQSZACIVSA-N 358.703 4.229 0 1 FIAF Cn1cc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)c2ccccc21 11938641 SDQANRPBLKEEPF-KRWDZBQOSA-N 351.425 4.034 0 3 FIAF CCCCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O 13641946 OFLKNAJUDYNDPK-INIZCTEOSA-N 352.843 4.073 0 1 FIAF O=C(Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12)N1CCCC1 13765525 RFVUCJJSCWRYIR-UHFFFAOYSA-N 374.271 4.473 0 1 FIAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@H]13 150146036 BKKGVUYVPORNKS-HKCFFTARSA-N 372.468 4.239 0 1 FIAF CC(C)[C@H](CO)NCc1nc(C2CCC(C(F)(F)F)CC2)ccc1F 204409532 JOWFKFXTPBDYEY-FVKWTLKZSA-N 362.411 4.163 0 1 FIAF COc1cc(OC)c2c(c1)O[C@@H](c1c(O)cc(OC)cc1OC)C[C@@H]2C 1857580852 NZSVBOIMVGMKEO-APPDUMDISA-N 360.406 4.054 0 1 FIAF COc1ccc(NC(=O)[C@H]2CCN(c3ncccc3C)[C@H](C)C2)cc1Cl 1857602587 OFDMCTREFVQJJO-CABCVRRESA-N 373.884 4.296 0 1 FIAF CC(=O)Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1 3815235 QKWCLFRBLRJXQM-UHFFFAOYSA-N 357.211 4.094 0 1 FIAF Cn1c2c(c3ccccc31)CN(CCC[C@H](O)c1ccc(F)cc1)CC2 13476821 ARHHDTLXUBIQJK-QFIPXVFZSA-N 352.453 4.189 0 1 FIAF CCCCc1c(OCCOCC)c2cccnc2n(-c2ccccc2)c1=O 26187983 BDDXXLQNVPYEMH-UHFFFAOYSA-N 366.461 4.144 0 1 FIAF CCOc1cc(OC)c(C(=O)Nc2cccc3c2CCN[C@H]3C)cc1Cl 40811206 PYPQVUDHJIZQQU-LBPRGKRZSA-N 374.868 4.206 0 1 FIAF CC[C@@H]1C(=O)O[C@@H]1[C@@H](C)C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@H](C)CC 43763852 UNBMQQNYLCPCHS-MGTGEOTMSA-N 352.515 4.159 0 1 FIAF in-vitro Nc1ncc(-c2ccc(CN3CCCCC3)cc2)c(-c2ccccc2O)n1 71317541 OKHQDCMMEIAINY-UHFFFAOYSA-N 360.461 4.084 0 1 FIAF CCNC(=O)c1ccc(C=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 101018262 ZXBIQGUHDBXQGK-SFTDATJTSA-N 350.462 4.240 0 1 FIAF Cn1cc(-c2cccc(Cl)c2)nc1CSc1nc2ccccn2n1 113423991 SOFRUFRNSLNUQM-UHFFFAOYSA-N 355.854 4.076 0 1 FIAF O=C(Nc1ccccc1CP(=O)(O)O)c1ccc(-c2ccccc2)cc1 114297767 RCQJSTRUJHORRC-UHFFFAOYSA-N 367.341 4.284 0 1 FIAF Fc1cc(CSc2nnc(-c3ccc4[nH]cnc4c3)o2)cc(F)c1F 116895166 SQGWCZHMPRRHTO-UHFFFAOYSA-N 362.336 4.323 0 1 FIAF O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)C1CCCCC1 149599044 MOZBZUWDLFNGOQ-KRWDZBQOSA-N 359.420 4.224 0 1 FIAF CC(=O)O[C@H]1/C=C(\C)CC/C=C(/C)[C@@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169365557 CLLDSYFHQCFUQA-UGVVAFRCSA-N 364.526 4.325 0 1 FIAF CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)CCCC=CC[C@@H]21 253632360 ABTCSIQGTDHHEP-LFRLVVFESA-N 364.526 4.159 0 1 FIAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@H]3CCOC3=O)[C@H](C)CC[C@H]12 253695483 ZRFBDZGXQIKFNC-ONQGJCSASA-N 350.499 4.362 0 1 FIAF Cc1ccc2c3c(cc([C@]4(Cl)CCOC4=O)nc13)-c1ccccc1C2=O 586993317 JZTPETVSUOUOFE-OAQYLSRUSA-N 363.800 4.136 0 1 FIAF COc1cnc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1Cl 587064099 ANHLMTJKKDANGY-UHFFFAOYSA-N 374.572 4.328 0 1 FIAF O=C(O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587111762 HLCHIQUVWKLNFR-UHFFFAOYSA-N 357.291 4.495 0 1 FIAF CC[C@@H](C(=O)c1coc2ccc(Cl)cc12)N1C(=O)c2ccccc2C1=O 587275499 BAEAYYYOSIJSIS-INIZCTEOSA-N 367.788 4.344 0 1 FIAF CC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587382602 QMSGKWGJLMUWHK-SFHVURJKSA-N 363.335 4.046 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C=O)o4)cc1)[C@@H](C2)C3=O 587457142 ZSADRNFHIZGREH-FDDCHVKYSA-N 374.392 4.431 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)nnc1Cl)CC2=O 587463032 VBZOHYMZMFGYOI-ZDUSSCGKSA-N 353.205 4.148 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cccc(F)c12 587566740 AIYXZGADJRYXEM-SIKLNZKXSA-N 362.356 4.335 0 1 FIAF Cc1cc(C)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587608855 MXVSYSAIUXLSGQ-PGRDOPGGSA-N 362.381 4.418 0 1 FIAF CN(C)Cc1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587638510 MOZOBIOGKVJLPH-UHFFFAOYSA-N 373.250 4.357 0 1 FIAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(Cc3ccccc3)c2c1 587649838 LRINNJXSQQAJMT-UHFFFAOYSA-N 353.365 4.181 0 1 FIAF Cc1nc(F)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587736857 CESHOYKCGUWUBV-ZKANADHPSA-N 353.210 4.054 0 1 FIAF CC[C@H](C)n1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587755592 BACVFKJZDKORNR-RLFDGXBXSA-N 366.278 4.379 0 1 FIAF CCCn1nc(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587761379 AYWLNYPLMIOAKL-BMLIUANNSA-N 366.278 4.127 0 1 FIAF CC(C)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 587792284 HRPWWRPTEWWHJW-JDNHERCYSA-N 352.251 4.058 0 1 FIAF CC(=O)C[C@@]1(C2(C)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814054 FSMHORBYOJMTOO-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF CC(=O)C[C@@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587815385 MBDLOKPFIBGBQR-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(Br)ccnc2[nH]1 587931874 UJENDVGGCFQACU-GTNSWQLSSA-N 358.239 4.174 0 1 FIAF Cc1c(F)ccc2c1[C@@](c1cccc(C3OCCO3)c1)(C1CCC1)NCC2 962096000 ZCOFVCCSSTXKJV-QHCPKHFHSA-N 367.464 4.369 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1cccc(OC(C)C)c1)N(C)[C@@H](C)C2 962639417 QBYVBWICYGAUFB-OYHNWAKOSA-N 355.478 4.457 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)C2(N1)[C@H]1CCC[C@H]2CC(C(=O)O)C1 962946761 APOGJBZFWYZLAG-XPOJHXOSSA-N 352.478 4.198 0 1 FIAF C[C@@]1(c2ccc(Br)c(Cl)c2)NCCc2ccc(O)cc21 963341604 NBTUXXUISKLGQN-INIZCTEOSA-N 352.659 4.217 0 1 FIAF CC[C@@]1(c2ccc(Cl)c(N)c2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963581770 OUYOUACBFWYSQQ-YUNKPMOVSA-N 360.885 4.127 0 1 FIAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2oc(-c3ccccc3)nc12 1772628573 NMNVMXAQPZNHBK-UHFFFAOYSA-N 367.792 4.400 0 1 FIAF O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc(O)c1 1857558407 YHIKLLSOXYXUBM-UHFFFAOYSA-N 366.398 4.001 0 1 FIAF Nc1[nH]c(C(=O)c2ccccc2)cc1C(=O)c1ccc(Cl)c(Cl)c1 1857635998 YOEVWKXALCLQIL-UHFFFAOYSA-N 359.212 4.366 0 1 FIAF CCCNC(=O)c1oc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N 1857752509 RVLSOZKMOVBVBA-UHFFFAOYSA-N 363.339 4.236 0 1 FIAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNC(C)=O)C=C3C)[nH]c2c1 2356288123 WWLSINURQHPUEZ-JENIJYKNSA-N 369.509 4.105 0 1 FIAF C=CC(=C[C@]1(C)CCCC(C)(C)C1)[C@@H]1[C@H](OC(C)=O)O[C@H]2OC(=O)C[C@H]21 2356617642 LKUHGEWOMPMDBN-RFQICNMXSA-N 362.466 4.130 0 1 FIAF CN(C)c1nc2oc(-c3ccccc3)c(-c3ccccc3)c2c2nncn12 1650423 CRLBOYOENZCPQE-UHFFFAOYSA-N 355.401 4.271 0 1 FIAF O=C(Nc1ccc(F)c(-c2nc3cc(Cl)cnc3[nH]2)c1)c1ccco1 103271489 JGQQRHRNISJNBN-UHFFFAOYSA-N 356.744 4.263 0 1 FIAF CC[C@H](Oc1ccc2ccccc2c1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28112679 WAWMBTQBOWMQGD-NAVKQXHLSA-N 353.462 4.166 0 1 FIAF CCOc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(SC)nn21 103963938 KTVHNTMYIRQPCV-INIZCTEOSA-N 356.451 4.070 0 1 FIAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2cocn2)c1 113764701 UTRJDXNYWUIAMT-OAHLLOKOSA-N 350.418 4.082 0 1 FIAF CCc1nc2c(OCc3ccccc3)cccn2c1N(C)C(=O)C(C)C 61908204 LSLHIMRTAQGBQQ-UHFFFAOYSA-N 351.450 4.095 0 3 FIAF COc1ccc(-c2cc(NC=O)c3ncc(-c4ccccc4)n3c2)cc1OC 61905836 KYCRHKNXIIIBPP-UHFFFAOYSA-N 373.412 4.254 0 3 FIAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2cccs2)O[C@H]1c1cccnc1 36242427 TZGFTCJPPBRFFT-SGAFSXBUSA-N 359.447 4.357 0 1 FIAF Cc1ccc(N2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1C 72183482 KSDYYZSPMBKWEA-UHFFFAOYSA-N 365.452 4.420 0 1 FIAF CC(C)(C)c1ccc(CSc2nc(O)cc(NC(=O)C3CC3)n2)cc1 73167688 ODPOLPBDPUPUGX-UHFFFAOYSA-N 357.479 4.121 0 1 FIAF CCN(CC)CCC[C@H](C)Nc1cc(-c2cc(F)ccc2OC)ncn1 82161861 LWZYBKHHMUSQLC-HNNXBMFYSA-N 360.477 4.214 0 1 FIAF COc1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)c(C)c4)c3c2)cn1 45168807 VWIPYQXWUHISLC-UHFFFAOYSA-N 359.385 4.307 0 1 FIAF O=c1oc(=O)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc12 95558746 ZBBAEESMYDNUCX-UHFFFAOYSA-N 363.800 4.323 0 1 FIAF CC[P@](=O)(OC)c1ccc2oc(-c3cncc(C(F)F)c3)nc2c1 2382236714 VNJVSYDFARJCBK-DEOSSOPVSA-N 352.277 4.397 0 1 FIAF COc1ccc(C(c2ccc(OC)c(OC)c2)[C@H](C)[C@@H](C)CO)cc1OC 40865853 QCYCSEDIGPJTTD-LSDHHAIUSA-N 374.477 4.117 0 1 FIAF biogenic CCOC(=O)N1CCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC1 653690505 MZYUDHDJRULZDC-UHFFFAOYSA-N 353.418 4.152 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2c1ccccn1 587587462 MZBCLLOVFRXGCJ-CGYQNGNCSA-N 373.408 4.455 0 1 FIAF C[C@H]1C[C@]2(C[C@@H](C)O1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587360461 VMTBKZQKAKEHQA-YMPJLZLPSA-N 356.393 4.216 0 1 FIAF C[C@@]1(c2sccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372124 DVCIUQCXCIHKML-YLJYHZDGSA-N 369.417 4.449 0 1 FIAF CC(C)Oc1cc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2cc1Br 586898178 GROADOXQEGPNGB-PHIMTYICSA-N 353.260 4.131 0 1 FIAF COc1cc(/C=C/c2nc3cc4cn[nH]c4cc3[nH]2)ccc1Br 586977952 SPYYJQGXPCATRL-HWKANZROSA-N 369.222 4.381 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc12 587127068 QXJGRMLRSGYGCI-IONNQARKSA-N 370.766 4.091 0 1 FIAF CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)cc1 587631578 PHWYJXHMAWQRHS-UHFFFAOYSA-N 359.788 4.480 0 1 FIAF CCCCCOc1cc2nc([C@H]3CC[C@@H]3N)[nH]c2cc1Br 587246441 KCJCPQFONFDCTC-JQWIXIFHSA-N 352.276 4.099 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3sc(=N)[nH]c13)CC2=O 587493811 GTVIKMUPHZIOPZ-FQEVSTJZSA-N 368.458 4.248 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C2CCC2)N1 587815538 NLYREADRHRIXQL-BMLIUANNSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@H]1C[C@H]4[C@@H]3[C@H]12 587820551 AGNIDVCDKDFCAY-SNEKUTJJSA-N 374.297 4.096 0 1 FIAF O=C(Nc1ccccc1Cl)c1nc2cc(Br)ccc2[nH]1 587060493 NZQXTDQBTQARLW-UHFFFAOYSA-N 350.603 4.231 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCCC3)nc1)CC2=O 587475429 OFHMMGAFAJAZMR-FQEVSTJZSA-N 366.461 4.437 0 1 FIAF Cc1cc(F)c2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 587042478 KULYAKVEEUPQRT-AWEZNQCLSA-N 361.829 4.319 0 1 FIAF CCO[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C 587354550 UYJSBQQYEKYQQX-KNKQGSTJSA-N 370.420 4.464 0 1 FIAF Cc1cc(F)ncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587738439 OKWBKCAPZMFDOG-JDNHERCYSA-N 353.210 4.054 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cccc(OC)c1 587872772 QKAVEIXZRVQABF-UHFFFAOYSA-N 371.437 4.342 0 1 FIAF CCOc1cccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)n1 962691689 ARAHXXMARFCIJB-VBKZILBWSA-N 358.482 4.072 0 1 FIAF C[C@@]1(c2cnsc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962647780 WLAMXXMWYPHORO-RBBKRZOGSA-N 361.514 4.154 0 1 FIAF CC(=O)N1c2cc(Br)c(F)c(Br)c2CC[C@@H]1C 207451753 JIZMYYDDFFLMBW-LURJTMIESA-N 365.040 4.038 0 1 FIAF CC(C)n1ncc2c(C(=O)Nc3ccccc3F)cc(-c3cnco3)nc21 1772584818 UZHOSLZTZYZTCY-UHFFFAOYSA-N 365.368 4.059 0 1 FIAF CC(C)(C)OC(=O)N1C(C2=COc3ccccc3O2)=COc2cccnc21 12947784 BKBDQNUKAHIZPI-UHFFFAOYSA-N 366.373 4.370 0 1 FIAF CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(N)c12 13585112 ZOOHADZNEKVBHY-UHFFFAOYSA-N 356.644 4.229 0 1 FIAF COC(=O)CCCCCCN[C@]1(c2ccccc2Cl)CCCCC1=O 1857554756 SUPKAFZLDYRKEV-FQEVSTJZSA-N 365.901 4.392 0 1 FIAF CCCN(CCC)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ncccc21 13824873 IGKQNVRIOJDNHB-UHFFFAOYSA-N 370.884 4.400 0 1 FIAF COc1ccc([C@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(OC)c1O 15261703 KCINTAABQWLKML-CQSZACIVSA-N 368.429 4.312 0 1 FIAF biogenic CC(C)NCCCOc1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1 28761684 YAPUMPYSKKRGSR-UHFFFAOYSA-N 366.505 4.357 0 1 FIAF c1ccc(CCNc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1 29124190 SOIJNPBARRJPSD-UHFFFAOYSA-N 355.401 4.192 0 1 FIAF O=C(CCCN1CCc2[nH]c3cc(F)ccc3c2C1)c1ccc(F)cc1 31853999 OMLJBRXRJHEWQA-UHFFFAOYSA-N 354.400 4.467 0 1 FIAF Cc1nc(-c2ccccn2)nc(N2CC[C@@H](c3ccccc3)C2)c1Cl 40898906 FXMPDDYIOUCHHX-MRXNPFEDSA-N 350.853 4.494 0 1 FIAF COc1cc(NC(=O)c2cncc(-c3ccc(Cl)cc3)n2)cc(OC)c1 64744368 CVPCOUAWFKLXEO-UHFFFAOYSA-N 369.808 4.067 0 1 FIAF COc1ccc(-c2cncc(-c3cc4c5c(c3)CCN5C(=O)CC4)c2)cc1 71330356 OZMMLDOWQJXWEK-UHFFFAOYSA-N 356.425 4.260 0 1 FIAF Cc1ccccc1-c1nc(CN(C)[C@H]2CCN(Cc3ccccc3)C2)co1 72185926 JPRORLJLDDJDRY-NRFANRHFSA-N 361.489 4.356 0 1 FIAF COc1cc([C@H](C)NC(=S)NCc2ccc(C(C)(C)C)cc2)ccc1O 84690834 KMSGHHGTFHXTFR-AWEZNQCLSA-N 372.534 4.424 0 1 FIAF O=C(CCCCCCCCCCc1ccccc1)[C@H]1C(=O)CC[C@@H](O)C1=O 85910917 YKNFYZLEJAATOF-YADHBBJMSA-N 372.505 4.218 0 1 FIAF biogenic CCCc1nnc([C@H](Cc2ccccc2)n2sc3ccccc3c2=O)o1 95595999 IASOWGJECREGPV-INIZCTEOSA-N 365.458 4.231 0 1 FIAF CC(C)c1cc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)ccn1 96282529 YQFDZCQBFKFMCM-UHFFFAOYSA-N 373.416 4.357 0 1 FIAF CC[C@H](C(=O)N[C@@H]1COc2ncccc21)c1ccc(Cl)cc1Cl 146698209 NUGDKPBRJBUNTN-XHDPSFHLSA-N 351.233 4.132 0 1 FIAF CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C/C[C@@H]21 169290099 ABTCSIQGTDHHEP-ILSUFNPYSA-N 364.526 4.159 0 1 FIAF Nc1ccccc1NC(=O)c1cc(Br)c2ccccc2c1O 169323626 AQXHTIWZZPWMTF-UHFFFAOYSA-N 357.207 4.142 0 1 FIAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)on1 169350118 JZBPMJYRJGWCMS-UHFFFAOYSA-N 370.792 4.424 0 1 FIAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cc(F)c2[nH]1 586983384 BNSWAXOXLOLWOM-LBPRGKRZSA-N 368.637 4.360 0 1 FIAF CCOC(=O)c1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O 586989373 GMXIXYFCJKIFQY-UHFFFAOYSA-N 361.397 4.452 0 1 FIAF CCc1ccc(-c2nc(-c3nc4cc(C(=O)OC)ncc4[nH]3)cs2)cc1 587016235 SKZJQMPISAXKGN-UHFFFAOYSA-N 364.430 4.097 0 1 FIAF CC(=O)c1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cnn1C 587096194 FKNVJUMPRPTJRV-UHFFFAOYSA-N 367.408 4.358 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 587120391 HFNDARNKKYVAML-UHFFFAOYSA-N 369.656 4.347 0 1 FIAF O=c1c(-c2nc3ccnc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170975 HLQCMTZSRJPFPL-UHFFFAOYSA-N 372.762 4.206 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Oc3ncccn3)cc1)O2 587394275 SMRVQXBXNCNFMT-NRFANRHFSA-N 361.401 4.040 0 1 FIAF COc1ccc([C@H](C)[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400743 SQLWAWGWPJKRRI-ZSEKCTLFSA-N 355.434 4.122 0 1 FIAF C[C@]1(c2ccc(C=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603407 OIOOTHZCXVUGJO-SIKLNZKXSA-N 360.365 4.082 0 1 FIAF Cc1cccc(C)c1C(=O)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603722 RDNTZASRYRFELG-CVDCTZTESA-N 374.392 4.222 0 1 FIAF Cc1cc2c(cn1)[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587776478 CZHIOBUWGLEZSH-VOJFVSQTSA-N 361.258 4.016 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(C)(C)CCC(=O)O)N1 587826136 GRJVBMIVGRCALS-QGHHPUGFSA-N 372.278 4.229 0 1 FIAF COc1ccc([C@@]2(C)c3cc(OC)ccc3CCN2C(C)C)c(OC)c1 962095421 YPKSWTRICZNWQT-QFIPXVFZSA-N 355.478 4.242 0 1 FIAF CN1C(=O)C[C@H]2CN[C@@](c3ccc(F)cc3F)(C(C)(C)C)c3cccc1c32 963039707 ZRCSRVNANGCNAO-WHEQGISXSA-N 370.443 4.308 0 1 FIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(c4ccc(F)cc4C[C@H]4CCCN41)[C@H](C3)C2 963088295 DNMODDBXVHZYNG-UGLAKOAXSA-N 369.480 4.041 0 1 FIAF COCCCOc1ccc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963104109 HCXZHYAYDAFMTN-SIKLNZKXSA-N 355.453 4.351 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(OC)cc(C(=O)OC)c1 963226887 IFJNVONOQLGIOD-YCRPNKLZSA-N 353.462 4.228 0 1 FIAF Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCC2 1772570916 PGHRGNIJJYCCKM-UHFFFAOYSA-N 368.380 4.298 0 1 FIAF Cc1ccc(NC(=O)[C@H](C)[C@@H]2CCc3c(C)cc(O)c(C)c3C2)cc1O 1772632817 LAXBOMIOHMRCPM-GDBMZVCRSA-N 353.462 4.403 0 1 FIAF COc1ccc([C@H]2C=C(c3cccc4ccccc34)N=C3NN=CN32)cc1 1857619453 IWLZFMVSYDNNEY-OAQYLSRUSA-N 354.413 4.149 0 1 FIAF CC1=C[C@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@@H](c3ccccc3O)[C@H]1[C@@H]2C 2356375477 DWTIHMGOTJWGAI-AIPFFWNZSA-N 373.493 4.433 0 1 FIAF Cc1c(-c2nc3ccccc3c(=NCCN(C)C)[nH]2)sc2ccccc12 2382218173 GQMXXZPBAPPEQT-UHFFFAOYSA-N 362.502 4.215 0 1 FIAF CC1(C)O[C@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@H]1C(=O)O 1648742 QSPIKFKGKSSIKJ-PWJLMRLQSA-N 357.237 4.375 0 1 FIAF COc1cc(OC)c(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)cc1Cl 2468473 HQNSHDUQDUAOTB-BFUOFWGJSA-N 374.824 4.127 0 1 FIAF CCCCC[C@H](O)CCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460201 CPLIAEGRLLEYCZ-DOTOQJQBSA-N 350.455 4.071 0 1 FIAF biogenic CCCCCC(=O)N1CC[C@@H](CC(=O)NC2CCCCC2)[C@H](CC)C1 25428235 YUSNJYZODMBBNA-MSOLQXFVSA-N 350.547 4.280 0 1 FIAF biogenic CC[C@H](c1ccc(O)cc1)[C@@H](C(=O)CCCCN1CC1)c1ccc(O)cc1 27980039 NZQRDYZFHXSWOY-GGAORHGYSA-N 367.489 4.430 0 1 FIAF CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccccc4)no3)cc12 40762315 DTTZLQSODDMJAV-UHFFFAOYSA-N 360.461 4.107 0 1 FIAF O=C(NC1CCCC1)c1noc(-c2ccccc2Cl)c1Br 66076700 YGJOFWJLGCRKIH-UHFFFAOYSA-N 369.646 4.430 0 1 FIAF CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3ccccc3F)n2)C1 82068766 HOKXGYIJUBDBTN-VBKZILBWSA-N 359.445 4.397 0 1 FIAF CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCC3CC3)ncnc21 82186400 KVMZSJKDZFBAPB-INIZCTEOSA-N 363.509 4.480 0 1 FIAF CC[n+]1c(C[C@H]2C=C(C)N=C(c3ccccc3)N2C)ccc2ccccc21 84415197 WNJQWMVHCPGIAR-JOCHJYFZSA-N 356.493 4.354 0 1 FIAF Brc1cccc(CNCCNc2nc3ccccc3s2)c1 84634072 XENWFVQTGOLAEV-UHFFFAOYSA-N 362.296 4.261 0 1 FIAF CCO[C@@H](c1ccc(Cl)cc1)[C@@H](n1ccnc1)[S@](=O)C(C)(C)C 102001266 GOSHMJDRYBNRAC-PBPSECFOSA-N 354.903 4.360 0 1 FIAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ncco2)c1 113762282 XKSKJMPTCDAQJB-HNNXBMFYSA-N 350.418 4.082 0 1 FIAF Cc1ccc(F)cc1-c1ccc2cc(NS(=O)(=O)C3CC3)ncc2c1 144336210 CJLPCQRTSYLTJK-UHFFFAOYSA-N 356.422 4.253 0 1 FIAF Nc1cnc(-c2ccc(-c3ccccc3Oc3ccnc(N)c3)cc2F)cn1 224795147 RJZSELDJQWOWNG-UHFFFAOYSA-N 373.391 4.301 0 1 FIAF CCOc1cc(C=O)ccc1OCCOc1ccc(-n2cccc2)cc1 473135394 HWUSFFFTSAFQON-UHFFFAOYSA-N 351.402 4.146 0 1 FIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(C(N)=O)cc3[nH]2)c1 586882488 VUBZPYFFARLFIH-UHFFFAOYSA-N 369.424 4.177 0 1 FIAF CC(=O)C12CC(c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)(C1)C2 586991870 REQIWGRHTOQSGP-UHFFFAOYSA-N 355.393 4.163 0 1 FIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Cl)cccc2[nH]1 587037958 BJBBFSWHLSRPGP-UHFFFAOYSA-N 351.819 4.082 0 1 FIAF COc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587039720 FAPRKUXVWODBFS-RDJZCZTQSA-N 359.882 4.171 0 1 FIAF COc1cc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1C 587167633 PHFNZQLLYNBYKW-KRWDZBQOSA-N 368.412 4.388 0 1 FIAF COc1cccc(-c2cc(C(=O)N(C)OC)nc3c2oc2ccccc23)c1 587361330 XMQYGUAOISKYEL-UHFFFAOYSA-N 362.385 4.290 0 1 FIAF Cc1ccc(C(=O)c2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n(C)c2)cc1 587389360 HQOZIRJZOWYKPT-OAQYLSRUSA-N 374.440 4.162 0 1 FIAF CCCOc1cc2c(cc1[C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)CCC2 587439856 DRRBJRBQPCFKTC-JPYJTQIMSA-N 364.441 4.461 0 1 FIAF COc1cc2c(cc1OC)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587521168 AYVCWEABOZIKAX-QHCPKHFHSA-N 364.441 4.390 0 1 FIAF Cc1ccc2c(c1)[C@]1(C=CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606452 CQBPEEGJQAAABB-OFNKIYASSA-N 372.376 4.464 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(F)c2)N1 587726402 XBPZRLPSRUMSFE-VPTHRUTESA-N 354.194 4.057 0 1 FIAF CNc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587741430 HBXCZUYOPOBCGF-ADLMAVQZSA-N 363.274 4.428 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cnccc32)N1 587777981 KNQVSRZFEKHJOD-ADLMAVQZSA-N 361.258 4.097 0 1 FIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587952448 QWFLKZQPHIZXOX-DCGLDWPTSA-N 360.454 4.405 0 1 FIAF CC1(C)CC(NCc2ccccc2)=C[C@@]2(C1)NCCc1nc3ccccn3c12 962982697 JFYCNNKQZYDVKL-DEOSSOPVSA-N 372.516 4.169 0 1 FIAF CCOC(=O)CC[C@@]1(c2c(C)cc(C)cc2C)NCCc2c(C)ccnc21 963087032 KPFWADKUPQGCHB-QHCPKHFHSA-N 366.505 4.048 0 1 FIAF CCc1ccc([C@@]2(c3ccccc3Cl)c3nn(C)cc3CCN2C)cc1 963954427 JYNAGTJFBCPHDO-JOCHJYFZSA-N 365.908 4.416 0 1 FIAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(Cl)c2)c1 1772622813 ZAMBLNKLSSPUQI-GFCCVEGCSA-N 355.825 4.230 0 1 FIAF COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccccc4OC)ccc32)cc1 1857770992 PUNXJSZLFZQUAB-UHFFFAOYSA-N 373.408 4.100 0 1 FIAF Cc1cc2nc([C@@H]3CCCN(C(=O)NCc4ccccc4)C3)[nH]c2cc1C 1350355 ZIKFGGUCAYDDAI-GOSISDBHSA-N 362.477 4.269 0 3 FIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3[C@@H](O)C[C@H]2[C@H](C)N(C)C)C1 2356456087 QZRQSCKMNSTUAL-NBNIDUSTSA-N 374.613 4.074 0 1 FIAF CCOc1ccc(F)c([C@H]2C[C@@H]2NC(=O)Nc2ccc(Cl)cn2)c1F 6411247 QLRFOQAJDSEUSU-JQWIXIFHSA-N 367.783 4.090 0 1 FIAF COP(=O)(OC)O[C@H](c1ccccc1Cl)P(=O)(OC)OC 29224413 DKBXMNWEYXIWBB-NSHDSACASA-N 358.651 4.242 0 1 FIAF COc1ccc2c3c1O[C@H]1CC[C@H](C)[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 26718011 WBROHQFHMPKJBH-BRNDIQQQSA-N 353.506 4.171 0 1 FIAF Cc1ccc([C@@H]2SCC(=O)N2c2ccc3c(C)cc(=O)oc3c2)cc1 49709452 JSEIGHOQRQTGAI-FQEVSTJZSA-N 351.427 4.188 0 1 FIAF Nc1nccc(/C=C/c2c(-c3ccccc3)ncn2Cc2ccccc2)n1 40974019 VHTDDEQGXAKILP-VAWYXSNFSA-N 353.429 4.141 0 1 FIAF COc1ccc(OC)c(CCNc2cc(-c3ccc(F)cc3F)ncn2)c1 82161753 JXMWUAYPSFBDTB-UHFFFAOYSA-N 371.387 4.094 0 1 FIAF CN(Cc1ccc(F)cc1)C1CCN(Cc2cnc(Cl)s2)CC1 299863679 PNRISDXHYSYSQV-UHFFFAOYSA-N 353.894 4.032 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCc3cccnc32)[C@@H]1c1ccc(F)cc1 587346853 NUMXUHYZTFCJKB-DENIHFKCSA-N 361.372 4.127 0 1 FIAF CC(C)N1CCC([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587766204 GEQDBGGGTBRINF-SGTLLEGYSA-N 369.322 4.284 0 1 FIAF O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586996190 AXBQNHGJTHVYGM-LLVKDONJSA-N 373.037 4.109 0 1 FIAF Cc1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)co1 587340509 SXNPFPWJCUPGOZ-QUCCMNQESA-N 353.349 4.102 0 1 FIAF Cc1cccc2c1NCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591978 FRZNCNVWHWUSLV-XXBNENTESA-N 373.408 4.373 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C(C)C)([C@H](CC)C(=O)OCC)CC2=O 587477584 DBXQHLOADLWLFD-IERDGZPVSA-N 362.466 4.294 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)OC)cc1)CC2=O 587480159 NROCJBFNBIANPB-NRFANRHFSA-N 354.402 4.012 0 1 FIAF CCOC(=O)[C@H]1CCCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525732 RNRGARKZLHIBTD-XMSQKQJNSA-N 356.462 4.413 0 1 FIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4cc(N)ccc41)[C@@H](C2)C3=O 587433738 VKQAZWCLUVWJIL-SBUREZEXSA-N 371.392 4.074 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]1OCc1ccccc1)CC2=O 587479007 LPYUSYIQRVKKAZ-RBBKRZOGSA-N 352.430 4.428 0 1 FIAF Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587614195 RQMGTMMOCYSJQA-APWZRJJASA-N 353.399 4.034 0 1 FIAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 587827987 NCTCBWHWPGKJEZ-BJQHUYDDSA-N 350.275 4.384 0 1 FIAF Cc1nc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587851745 IZSSZLXIIQHBEX-VXJOIVPMSA-N 355.276 4.151 0 1 FIAF C[C@@H](Oc1ccccc1O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526710 ZGGXGTDSVWDBBJ-PEBXRYMYSA-N 352.430 4.462 0 1 FIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Br)cnc2[nH]1 587933986 CSPAMFVAPVXJOZ-UHFFFAOYSA-N 370.250 4.301 0 1 FIAF C[C@@]1(c2ccccc2-n2ccnn2)CC(=O)c2ccc3c(c2O1)CCCC3 587517163 IEFVWAVISXZJDI-QFIPXVFZSA-N 359.429 4.027 0 1 FIAF O=C(c1ccccc1)c1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1 586907055 CMIWJVXWMHTXCZ-UHFFFAOYSA-N 368.392 4.433 0 1 FIAF CC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587079918 LXJPHYYNWVMRHV-OAHLLOKOSA-N 352.825 4.143 0 1 FIAF Clc1ccc(-n2cccc2)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 587052513 DBKFLBXHDUOAGL-UHFFFAOYSA-N 351.793 4.445 0 1 FIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(C)c(Br)cnc2[nH]1 587930360 OSXZRIVNMZLLJG-XIKOKIGWSA-N 372.266 4.483 0 1 FIAF CC[C@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586123 HKFBGSRERJJVGC-AVRDEDQJSA-N 361.397 4.363 0 1 FIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C)cc2[nH]1 587114160 WWWBDXNECCVDBC-GOSISDBHSA-N 361.367 4.290 0 1 FIAF CCS(=O)(=O)c1ccc2nc(CSc3ccc(C)cc3C)[nH]c2c1 586964736 LBBOCACSJCACSM-UHFFFAOYSA-N 360.504 4.266 0 1 FIAF CCCOc1cccc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1 204761086 RZVRZDUJJWCVMN-UHFFFAOYSA-N 351.435 4.119 0 1 FIAF O=C(O[C@H]1CN2CCC1CC2)N(CCc1ccc(F)cc1)c1ccccc1 1857579877 UBXUDWCOFMMEAI-NRFANRHFSA-N 368.452 4.106 0 1 FIAF Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Br)cc3)c2n1 1857590937 JIPFGOFGSWBWLJ-UHFFFAOYSA-N 374.238 4.313 0 1 FIAF C=CC(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C 1857651167 FLXWWWSUNKRTEX-UHFFFAOYSA-N 361.445 4.008 0 1 FIAF NS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)cc2)cc1 13755789 HMKMEDJAHJBTLO-UHFFFAOYSA-N 363.360 4.085 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 33696850 ZOIUUCNFVDJSJK-VLYKBWAZSA-N 374.569 4.039 0 1 FIAF O=C(O)CCN1CC=C(c2ccc(OCCCc3ccccc3)cc2)CC1 34505891 MDNBHQVSBWFJLJ-UHFFFAOYSA-N 365.473 4.262 0 1 FIAF C[C@](O)(c1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1)C(F)(F)F 34853892 MMIDZOVIJQHNLX-SFHVURJKSA-N 355.400 4.394 0 1 FIAF COc1cc(NC(=O)c2ccccc2)ccc1OCCN(C(C)C)C(C)C 40764318 NCMCTPACMAPOPN-UHFFFAOYSA-N 370.493 4.445 0 1 FIAF CN1CC[C@@]2(Cc3ccncc3)c3ccccc3N(Cc3ccccc3)[C@@H]12 58522965 BRGRMLXHRNEHCQ-DNQXCXABSA-N 355.485 4.244 0 1 FIAF Cc1ccc(CN(C)c2ncnc3ccc(-c4ccc(C(=O)O)o4)cc23)o1 66128997 RLBBTLPROGDYJS-UHFFFAOYSA-N 363.373 4.126 0 1 FIAF Clc1nn2c(-c3cccc(Br)c3)nnc2c2ccccc12 82060551 SIZQNCLORYBACG-UHFFFAOYSA-N 359.614 4.360 0 1 FIAF CC(C)C[C@H]1NC(=O)C(C(=O)Nc2ccc(C3CCCCC3)cc2)=C1O 101164711 KZOWEKTYNNICLE-QGZVFWFLSA-N 356.466 4.029 0 1 FIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@H](C(=O)SCC)[C@@H]1CC 169721228 IHAGXWSASLOSNA-HOTGVXAUSA-N 359.491 4.357 0 1 FIAF CC1=Nc2[nH]ncc2[C@@H](c2ccco2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 169724272 VFYQKLRNEALTCH-CVEARBPZSA-N 372.787 4.288 0 1 FIAF O=C1NC[C@H](Cc2ccccc2)c2[nH]c(-c3cccc4cccnc34)cc21 222364972 JBAKTVVTRACTOI-KRWDZBQOSA-N 353.425 4.300 0 1 FIAF C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)C[C@@H]1C[C@@H](C)C(=O)O1 238787210 SVOIVAHAKDYEOL-KDHQJITESA-N 368.385 4.206 0 1 FIAF CNc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1N 586987357 DQCRZYLCEQPCKM-UHFFFAOYSA-N 367.408 4.443 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ncccc1CC3 586988645 UMVPHYGPIKOAFU-UHFFFAOYSA-N 350.377 4.312 0 1 FIAF CCC(=O)OC1=C(C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991958 LKSYKVNFUWPXHO-UHFFFAOYSA-N 371.392 4.392 0 1 FIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 587078848 CFNTYXQSKOXMBM-SSDOTTSWSA-N 354.744 4.372 0 1 FIAF Cc1ccc(-c2ccc(-c3nc4c(N)ncnc4[nH]3)c(Cl)c2)cc1F 587146959 CROODFWQWIQBLC-UHFFFAOYSA-N 353.788 4.370 0 1 FIAF Nc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cnc2c(F)cccc12 587176773 RBMGDGXATGDLJD-UHFFFAOYSA-N 350.250 4.056 0 1 FIAF O=C(N[C@H](c1ccccc1)c1nc2cncc(Cl)c2[nH]1)c1ccccc1 587221970 XDZMNHYOSGRLQF-QGZVFWFLSA-N 362.820 4.131 0 1 FIAF CCOC(=O)c1ccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2c1 587241454 CQVPKYJJXWTDLA-UHFFFAOYSA-N 365.433 4.391 0 1 FIAF C[C@@]1(c2cccc(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338046 QKASBPYZLVYXNG-IRLDBZIGSA-N 363.388 4.388 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c4c(c1)CC(C)(C)O4)[C@@H](C2)C3=O 587452050 CWXBDIKCAICXKX-KKSFZXQISA-N 350.414 4.206 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3cccc(F)c3)c1)CC2=O 587467747 RASBFIFWLGWIJM-FQEVSTJZSA-N 366.392 4.376 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C(C)C)nc1)CC2=O 587471009 XTJUMLQVPMKWLD-LJQANCHMSA-N 354.450 4.291 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1N1CCCCC1)CC2=O 587477206 WKNRQYKCWWDKFP-HXUWFJFHSA-N 366.461 4.437 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccncn1)CC2=O 587492846 XWTMBBCNVGLHGN-JOCHJYFZSA-N 360.413 4.044 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(O)c1F 587557341 MVMRFJDENYHNSA-QRWLVFNGSA-N 370.307 4.079 0 1 FIAF CC[C@H](C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587583408 VYOGQEDATKBEQU-FPSMJMQUSA-N 364.401 4.263 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)C1CC1 587588842 SMHKZXOUUDSDRI-UGKGYDQZSA-N 359.381 4.054 0 1 FIAF CC(C)OC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600153 MAWLLRPYVLKOLT-JOXBDYEASA-N 368.429 4.460 0 1 FIAF COCC[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797533 VXBZTVNWXSAQFV-DIFFPNOSSA-N 358.295 4.400 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C=O)c2)N1 587813783 DVTWNLARWPVVQG-VOJFVSQTSA-N 362.242 4.198 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(O)ccc32)N1 587834692 SVWYTESFNGFOMG-MGNBDDOMSA-N 362.242 4.018 0 1 FIAF CC[C@@]1(Cc2nc3cccc(C(=O)OC)c3[nH]2)CC(=O)c2ccccc2C1 587962646 YOQVCNAYOXJGJO-QFIPXVFZSA-N 362.429 4.118 0 1 FIAF CCN(Cc1cc(=O)n2c(C3CC3)c(C)sc2n1)c1ccc(F)cc1 653845482 VEJUWRDUONFHHB-UHFFFAOYSA-N 357.454 4.107 0 1 FIAF COCCn1c(C)c(C)c([C@@H]2c3cc(OC)ccc3CCN2C(C)C)c1C 962089484 JUIYJWVSZRELGS-QHCPKHFHSA-N 370.537 4.424 0 1 FIAF O=C(O)[C@@]1(c2ccc(F)c(F)c2)NCCc2cccc(-c3ccccc3)c21 962667746 VIDOAHSGHNEMQI-QFIPXVFZSA-N 365.379 4.106 0 1 FIAF Cc1ccnc2c1CCN[C@]2(c1ccccc1)c1oc2ccc(N)cc2c1C 963069487 MZNQIPAONZQUNZ-DEOSSOPVSA-N 369.468 4.464 0 1 FIAF O=C(O)c1cccc2c1CCN[C@]2(CCC1CCCCC1)c1ncco1 963123017 NMZUEPFLCNNLSA-NRFANRHFSA-N 354.450 4.123 0 1 FIAF CC(=O)OC[C@]1(C)C[C@H](O)C[C@]2(C)[C@H](CCC(C)=CCO)C(C)=CC[C@H]12 2356673635 RXNUONBNCKZRCS-AHJNKEMKSA-N 364.526 4.018 0 1 FIAF N=c1nc(-c2cccc(NC(=O)c3cc(Cl)cc(Cl)c3)c2)cc[nH]1 2382255795 BLOVZQUOXDGGKY-UHFFFAOYSA-N 359.216 4.115 0 1 FIAF CC(C)(C)c1ccc(CNC(=O)[C@@]2(C)CON=C2c2ccccc2)cc1 767176 BPZVKURSGPCFOL-QFIPXVFZSA-N 350.462 4.041 0 1 FIAF CCCc1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 3797202 RJWRGGHHOCHAMX-HXUWFJFHSA-N 360.457 4.137 0 1 FIAF COc1ccc2oc(Cc3cccc(Cl)c3)c(CCNC(C)=O)c2c1 13474344 ZIYGGMCXBZJOAI-UHFFFAOYSA-N 357.837 4.364 0 1 FIAF O[C@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2-c2ncncc21 29392669 YEUONTMBLBKVLO-GOSISDBHSA-N 356.212 4.292 0 1 FIAF Cc1c(F)c(NC2CCCCC2)nc(Oc2cccc(C(=N)N)c2)c1F 29489604 CRLDQPGUVSIDBC-UHFFFAOYSA-N 360.408 4.489 0 1 FIAF Cc1ccc(CN2C(=O)c3ccccc3[C@@]2(O)c2ccc(Cl)cc2)cc1 66101357 SBGUDSXIHMTBNZ-QFIPXVFZSA-N 363.844 4.498 0 1 FIAF CCOc1ccc(-n2cnc3cc(NCc4cnc(CC)nc4)ccc32)cc1 95582772 KTNDRHSUNAQAQJ-UHFFFAOYSA-N 373.460 4.389 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100788806 IWSCITFBDCQRGG-WEHMOUSJSA-N 350.499 4.479 0 1 FIAF C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](N)C[C@]1(c1cccc(O)c1)C2 100918799 DBPFGWTUHBQYTM-IVDSKFSHSA-N 364.533 4.094 0 1 FIAF NCCN1[C@@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101061039 HKONLYZKJHOXAP-WOJBJXKFSA-N 372.459 4.025 0 1 FIAF CNc1c(-c2ccc(C(=O)O)cc2)cnc2[nH]c(-c3ccc(OC)cc3)nc12 103248092 GHLLIWFJENEFSB-UHFFFAOYSA-N 374.400 4.040 0 1 FIAF CC1(O)CCC(C(=O)N2CC[C@@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 201097614 BMZUXFKNMHQVBU-WFOCJDAXSA-N 355.522 4.069 0 1 FIAF C[C@H]1CCCN(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 586988880 YXDMSEGCHHPMNL-AWEZNQCLSA-N 358.441 4.384 0 1 FIAF CCc1ccc(-c2nc(-c3nc4c(S)nc(S)nc4[nH]3)cs2)cc1 587015479 FEVXAVCEUKWRKN-UHFFFAOYSA-N 371.516 4.283 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587085168 MMNDQBUHYVWFOO-UHFFFAOYSA-N 364.792 4.127 0 1 FIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cn1 587247962 ZWRNXOZNLCRSNT-UHFFFAOYSA-N 366.318 4.166 0 1 FIAF N[C@@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc2ccccc12 587258853 MHKXBYYFUUXQLJ-AWEZNQCLSA-N 367.355 4.280 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Cl)c1)(C1CCNCC1)O2 587377982 LQVMISQUVKSMCK-NRFANRHFSA-N 370.880 4.091 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncccc1NC(=O)OC(C)(C)C)O2 587391990 VQIRMMVYLJVHAC-INIZCTEOSA-N 369.421 4.026 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccco3)n3ccccc13)O2 587393221 CUWUYLZCRFXIMH-SFHVURJKSA-N 359.385 4.191 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C)ccc1Br)[C@@H](C2)C3=O 587412580 IZCPCYRNPHNGBZ-SCLBCKFNSA-N 359.219 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](C2)C3=O 587422557 FGEQSCGAAPBZTH-ASCAZGACSA-N 370.273 4.054 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)c[nH]c3nccc1-3)CC2=O 587473200 YKZAMSNPMMSWKA-HXUWFJFHSA-N 354.381 4.192 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(C=O)c3ccccn13)CC2=O 587483365 CLUSPRBQEZQGOK-HXUWFJFHSA-N 363.413 4.425 0 1 FIAF CCN(CC)CC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571815 MNCUBQUHEBRALT-RXVVDRJESA-N 369.461 4.090 0 1 FIAF Cc1cc(C)cc(C(=O)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604432 WRLMDHAHQFQQAI-CVDCTZTESA-N 374.392 4.222 0 1 FIAF Cc1coc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615219 FMMPIWVVQMLTDF-WIYYLYMNSA-N 350.370 4.479 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nn(C)cc3c2)N1 587756406 DKAGABXNEWWCOB-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NC(C)(C)C 587864027 WCRGQTNZSLWXMB-UHFFFAOYSA-N 357.401 4.099 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3cc(Br)c(C)nc3[nH]1)CC2 587934291 IVRFHKDLSUWGDG-GFCCVEGCSA-N 372.266 4.310 0 1 FIAF O=C1c2ccccc2[C@]2(NCCc3ccc(O)cc32)c2c(Cl)cccc21 963329764 SURDMLVMGCPWPN-JOCHJYFZSA-N 361.828 4.028 0 1 FIAF Cc1cc(=O)oc2cc(NC(=O)CSCCc3ccccc3)ccc12 1772580002 DJLXWTAPJWVGHY-UHFFFAOYSA-N 353.443 4.016 0 1 FIAF COc1cc([C@@H](C)c2ccc(OC(F)(F)F)c(N)c2)cc(OC)c1OC 1857748167 PJWHOWRJCYPTKP-JTQLQIEISA-N 371.355 4.345 0 1 FIAF CC1=C[C@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@H](c3ccccc3O)[C@H]1[C@H]2C 2356375479 DWTIHMGOTJWGAI-XONLALLZSA-N 373.493 4.433 0 1 FIAF CC[P@@](=O)(OC)c1ccc2oc(-c3cncc(C(F)(F)F)c3)nc2c1 2382235973 VPHLZQJGDODHIE-RUZDIDTESA-N 370.267 4.478 0 1 FIAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1cc(F)c(OC)cc1n2CC[18F] 102894533 FGDKXQIJZSPQHK-NTLARXFDSA-N 363.439 4.047 0 1 FIAF O=C1O/C(=C\c2c(F)c(F)c(F)c(F)c2F)C=C1Cc1ccccc1 103220869 NNXNZONKZYMLJC-FLIBITNWSA-N 352.258 4.449 0 1 FIAF COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](C)[C@@H]2C)ccc1O 2356550487 VEFZLUCJNOJAGR-OAVHHTNSSA-N 358.434 4.084 0 1 FIAF COC(=O)C1=C2CCC3=C2[C@@]2(C1)[C@H]1[C@@H]4CC[C@@]2(C)[C@@H](CC3)CN1C[C@H]4C 2356816084 CXNYOLGASMNGBW-BVJIRNFKSA-N 353.506 4.097 0 1 FIAF C[C@@H](O)CN1CCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 36160974 DGAHSQWDPUWZAR-QVKFZJNVSA-N 365.452 4.401 0 1 FIAF COc1cc2c(cc1O)O[C@@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@H]21 14819658 CVUYVQZALVRDIK-QVKFZJNVSA-N 354.402 4.225 0 1 FIAF biogenic COc1c2c(c(COC(=O)C=C(C)C)c3c(C)coc13)[C@@H](C)[C@H](O)C=C2 13300581 KRTZWKXGTALWRE-XJKSGUPXSA-N 356.418 4.250 0 1 FIAF biogenic COc1cccc([C@@H]2Cc3ccc(OC)cc3[C@@H](CCNC(C)=O)C2)c1 40916043 PTHAYGOTNLRTGW-RBUKOAKNSA-N 353.462 4.044 0 1 FIAF COc1ccccc1[C@H](O)c1nnc(Nc2cccc(C(C)C)c2)s1 82083206 KBQFYUKXBLWRCS-KRWDZBQOSA-N 355.463 4.495 0 1 FIAF CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2C[C@@H]1CCCO1 82186570 KUKCMGGICSEYHU-HNNXBMFYSA-N 369.469 4.176 0 1 FIAF O=C(c1ccc(C(F)(F)F)cc1)[C@@H](CN1CCOCC1)c1ccccc1 95755565 ULFXYGSLIIQWSV-SFHVURJKSA-N 363.379 4.004 0 1 FIAF O=C1c2ccccc2N2O[C@]3(N4CCCC4)CCC[C@@H]3[C@@]12c1ccccc1 254135580 QXRMPRQQGNQQQF-WWNPGLIZSA-N 360.457 4.122 0 1 FIAF CSc1cc(C(=O)c2ccc3c(c2)c(C=O)cn3C)cc(SC)n1 2382258034 ABTPXGPSNFVDAC-UHFFFAOYSA-N 356.472 4.061 0 1 FIAF COc1cc(C)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587944581 DURKVJDMKQLGLX-UHFFFAOYSA-N 365.408 4.096 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cccc(OC)c3C1)CC2=O 587485052 YEKZMKDKUNCSFW-JOCHJYFZSA-N 352.430 4.246 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2cc(N)ccc21 587390668 PPJZGRUEIDKVIP-QFIPXVFZSA-N 358.397 4.174 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncccc3o2)N1 587778363 MNRDEOCZWSNVHW-HUTHGQBESA-N 361.214 4.353 0 1 FIAF O=C(c1cc2ccccc2o1)c1c(CO)oc2cc(Br)cnc12 587276199 JRZNSIMLDVXMML-UHFFFAOYSA-N 372.174 4.060 0 1 FIAF CNc1cc(Cl)ccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587066607 FOPGLYHTJYDHQS-UHFFFAOYSA-N 362.142 4.339 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(F)c1F 587559370 WOFUUMLGVAFFQU-FOIQADDNSA-N 370.307 4.079 0 1 FIAF Cc1c(-c2nc3cc(F)c(F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073419 IJUOAOFZVPNJGF-UHFFFAOYSA-N 359.767 4.110 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C(F)F)N1 587717483 LFXMQEHXIARDQP-CLAHSXSESA-N 359.189 4.408 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586963888 RPOOMUTVCLJDBD-QMMMGPOBSA-N 370.265 4.312 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3c(Br)cccc31)O2 587371317 KHHWBGTVQBTAAF-SFHVURJKSA-N 373.250 4.016 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@H]1NC(=O)OC(C)(C)C)O2 587389265 JQOZIEGCLCQAON-DYESRHJHSA-N 374.481 4.139 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc3c1OCOC3)CC2=O 587473226 YOQDYKDGBKTKNV-SFHVURJKSA-N 358.365 4.057 0 1 FIAF COc1cc(OC)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 587005761 QSJCMZOPNNXWND-UHFFFAOYSA-N 368.618 4.058 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)O)c(F)c1)CC2=O 587468006 VVUACCIOOBLPMZ-HXUWFJFHSA-N 358.365 4.063 0 1 FIAF O=S(=O)(/C=C/c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1 586925234 XJGORNYBMRMCPT-MDZDMXLPSA-N 352.337 4.026 0 1 FIAF C[C@]1(c2ccc(F)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335580 OGPDJRBUIRQKEO-PZJWPPBQSA-N 367.351 4.340 0 1 FIAF CC[C@@]1(c2cc(Cl)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420002 OLQFGWSDMCISPW-QRWLVFNGSA-N 358.821 4.410 0 1 FIAF CCOc1ccc(CC(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1 587870145 AMSKSZFWRWVUIA-UHFFFAOYSA-N 368.408 4.370 0 1 FIAF COC(=O)Nc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cn1 587244155 AXABUUWSXULTGR-UHFFFAOYSA-N 368.340 4.415 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cl)c2N)N1 587691274 DRAXSGONZPZKRD-ZKANADHPSA-N 369.665 4.447 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(Br)cc1F)O2 587381559 IYLNTZMYFVASQT-INIZCTEOSA-N 364.214 4.494 0 1 FIAF CCCc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409771 WLQALJDYANFULI-QFIPXVFZSA-N 367.445 4.255 0 1 FIAF COc1ccc2c(c1)[C@@](c1ccncc1)(c1ccccc1N)N(C(C)C)CC2 962095676 ZJDQAZIIACDRAO-XMMPIXPASA-N 373.500 4.231 0 1 FIAF COc1c2c(cc3occ(-c4ccc(O)cc4)c(=O)c13)OC(C)(C)C=C2 13311946 GIVRDLOWBBXCNM-UHFFFAOYSA-N 350.370 4.358 0 1 FIAF biogenic,in-vitro Cc1ccc(C(OCCN2CCC[C@@H](C(=O)O)C2)c2ccc(C)cc2)cc1 13729391 VLTBFQOAIGRTNW-OAQYLSRUSA-N 367.489 4.206 0 1 FIAF CCSc1nnc2nc3c(c(O)n12)C1(CCCCC1)Cc1ccccc1-3 18178452 UFAVFTCLQFQRBQ-UHFFFAOYSA-N 366.490 4.367 0 1 FIAF CCOc1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)c(C)c1 169343828 QEQIPPIJSXSONT-UHFFFAOYSA-N 353.447 4.473 0 1 FIAF O=C(O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)cc1 164758372 PYEMMVSCHWXBHA-UHFFFAOYSA-N 357.369 4.180 0 1 FIAF Clc1ccccc1-c1noc2c(-c3cncnc3-n3cncn3)cccc12 205212768 XEUOARNXKJGIQG-UHFFFAOYSA-N 374.791 4.186 0 1 FIAF COC(=O)[C@H](C)NC(=O)[C@]1(C)CCC[C@@H]2[C@H]3CCC(C(C)C)=CC3=CC[C@H]21 1857559777 BGBGYLPMPLUZDK-JYJHHKIISA-N 373.537 4.409 0 1 FIAF COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC(C)C 773798 HNZWXTWPXKUPEF-UHFFFAOYSA-N 354.381 4.295 0 1 FIAF O=c1cc(-c2ccc(-c3cccs3)cc2)sc(N2CCOCC2)c1 101078116 AFNRMXKURPNYRB-UHFFFAOYSA-N 355.484 4.340 0 1 FIAF Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)cc1 58603540 SMWLZUPIFSAOOV-SFHVURJKSA-N 352.434 4.300 0 1 FIAF COC(=O)c1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1 29135883 LINBJSTXNHDJHF-UHFFFAOYSA-N 351.358 4.069 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O[C@H](C(C)=O)C[C@H]3C(C)(C)CCC[C@@]32C)O1 2356671488 ATPOMGXHYRDUKU-NHUSPQTBSA-N 366.498 4.025 0 1 FIAF OC1CCC(Nc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)CC1 45195966 JPFAMXFKSLYAKV-UHFFFAOYSA-N 358.445 4.265 0 1 FIAF Cc1cc(Cl)nc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)n1 40979347 BGSQXXUIUODYKD-CVTKOYADSA-N 363.914 4.061 0 1 FIAF CCCOc1ccc(-c2cccc(C(=O)NCCN(CC)CC)c2)cc1 84688193 CBTKDZBECYNAGP-UHFFFAOYSA-N 354.494 4.214 0 1 FIAF NCCCCN(Cc1nccc2ccccc12)[C@H]1CCCc2cccnc21 49784818 NHSNBTWGVOWXQZ-QFIPXVFZSA-N 360.505 4.248 0 1 FIAF CCN(C)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc(C)c1 82147115 PYMDHXITDUVPNP-UHFFFAOYSA-N 352.482 4.289 0 1 FIAF O=c1c2cc(O)ccc2nc(/C=C/c2ccc(F)cc2)n1-c1cccc(O)c1 653887787 BSPWVKVZEINLSP-IZZDOVSWSA-N 374.371 4.106 0 1 FIAF Cc1nn2c(=O)cc(-c3ccc4cc[nH]c4c3)[nH]c2c1Cc1ccccc1 653631624 OHGJSDFXJZYXJM-UHFFFAOYSA-N 354.413 4.070 0 1 FIAF CC[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587816554 AENLFFHWDWVMTA-CZIZLABSSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc[nH]c3nccc2-3)N1 587807522 XJIQWDBLZFXFOO-YPMLDQLKSA-N 374.257 4.214 0 1 FIAF CC(C)[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586990969 PFCLRBRBGZDFQL-OAHLLOKOSA-N 357.409 4.407 0 1 FIAF CCc1cnccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772670 FVBSWNPFOSNYCE-BBATYDOGSA-N 363.274 4.343 0 1 FIAF C[C@@H]1COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587619427 XTBNDWCOMPVZQW-ODMCQALKSA-N 374.392 4.278 0 1 FIAF COc1ccc(NC(C)(C)c2nc3cncc(Br)c3[nH]2)cc1 587201161 IJSLMZSVCZHWMW-UHFFFAOYSA-N 361.243 4.076 0 1 FIAF CC[C@H](C)n1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587760095 OBTVACIWWSQEOA-VGTOOOLASA-N 366.278 4.379 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CCOC1)CC2 587610168 PJKOURDBKILHIE-OSFYOIPJSA-N 366.413 4.073 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ncc2F)N1 587726888 AABMVEXZBXFSSO-MLXNANBUSA-N 373.628 4.399 0 1 FIAF CCOc1cc(OCC)cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587443653 XCRGLASPGIVSGC-GCJKJVERSA-N 368.429 4.155 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(C)(C)C(=O)O)N1 587826831 JLOXAGUZDATVAJ-DYZYQPBXSA-N 372.278 4.229 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H]2CCCCC2=O)N1 587818471 DMYPQQWMOHIPBM-YNKQFZHNSA-N 368.290 4.487 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3cc(Br)ncc3[nH]1)CC2 587937443 LOZUWSRIFKUBQJ-LLVKDONJSA-N 358.239 4.002 0 1 FIAF CCOc1cc(/C=C/c2nc3cnccc3[nH]2)cc(Br)c1OC 586978338 OVYZPRNSVUCWBE-SNAWJCMRSA-N 374.238 4.298 0 1 FIAF NC(=O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151498 ZGMHTABBCOUISQ-IBGZPJMESA-N 360.392 4.002 0 1 FIAF O=C(CC12CC3CC(CC(C3)C1)C2)n1ncc2ccc(Cl)cc2c1=O 587651517 AMLMBZHYPQPYMY-UHFFFAOYSA-N 356.853 4.297 0 1 FIAF Cc1cc(Br)c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1F 587138156 XYIMURATGLUVQL-UHFFFAOYSA-N 367.149 4.277 0 1 FIAF COc1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600637 OSNKQZQWFCGHPT-REWPJTCUSA-N 374.392 4.204 0 1 FIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(F)c(F)c(F)c2[nH]1 587117561 UKYYOXOJYNWZMD-UHFFFAOYSA-N 354.641 4.053 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(OCCO)c(C)c1)CC2=O 587483524 QYCSEYHLTFWZQC-HXUWFJFHSA-N 370.445 4.039 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(C1CCOCC1)CC2=O 587491080 RRYYUZXTZUAHNM-QFIPXVFZSA-N 367.445 4.027 0 1 FIAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1c(Cl)n(CCF)c3ccccc13)C2 1772604595 JTHWRADDYOPGOY-STQMWFEESA-N 364.848 4.046 0 1 FIAF CNc1nc(Nc2ccc(-c3ocnc3C)cc2)nc(-c2ccccc2)n1 13490408 YHSNVQMFQHKPPW-UHFFFAOYSA-N 358.405 4.287 0 1 FIAF CN1C(=O)[C@@H](c2[nH]c3ccccc3c2N=O)c2ccc(Br)cc21 169685098 LLBYZFGYKBAKSL-CQSZACIVSA-N 370.206 4.437 0 1 FIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CN1CCCCC1 3795669 PZKHOISBMZGAFR-MRXNPFEDSA-N 369.336 4.403 0 1 FIAF CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 3895855 XUNAEGXHIVURLG-ZEPOMWRXSA-N 364.574 4.285 0 1 FIAF CN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 13861058 UOAOMCIHXQMCHQ-DLBZAZTESA-N 355.309 4.011 0 1 FIAF COc1ccc([C@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc1 14819316 CTFJUDTWKJHYNX-LJQANCHMSA-N 354.402 4.322 0 1 FIAF biogenic C[C@@H]1CC2=C(C(=O)O1)[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 40424079 XLYBTASYNKDQQN-MGNBDDOMSA-N 369.804 4.216 0 1 FIAF Cc1cccc(Sc2c(O)cc(S(=O)(=O)c3ccccc3)nc2C)c1 40848057 HKMLGPVNAOAOIR-UHFFFAOYSA-N 371.483 4.388 0 1 FIAF S=C(NCCCNc1ccnc2cc(Cl)ccc12)N1CCCCC1 64447161 DXTOMYLICFZDED-UHFFFAOYSA-N 362.930 4.051 0 1 FIAF COc1ccc2c(c1)[C@]1(OCCC=C[C@H]1C)C(=O)N2Cc1ccc(F)cc1 66136326 CRBQYYFIXCEXPB-QRQCRPRQSA-N 367.420 4.189 0 1 FIAF CC(=O)O[C@H]1[C@@H](C)[C@@]2(C)Cc3c(C)coc3C[C@H]2C[C@H]1OC(=O)C=C(C)C 85767226 BFTOORVCRFGUHC-DNNGSKBCSA-N 374.477 4.159 0 1 FIAF biogenic COc1cc(Nc2ncnc3c2sc2ncccc23)cc(OC)c1OC 95575994 IMHKXKVADRFFTM-UHFFFAOYSA-N 368.418 4.009 0 1 FIAF CN1CCN([C@@H](COc2cccc(Cl)c2Cl)c2ccccc2)CC1 103285264 RGVLCVCWPDWVPU-KRWDZBQOSA-N 365.304 4.361 0 1 FIAF Cc1ccc([C@@H](C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 114998322 JSQPMXXGCBUZST-QGZVFWFLSA-N 359.477 4.224 0 1 FIAF O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 169304844 XFLZELRWIBAHQY-NJDAHSKKSA-N 363.457 4.052 0 1 FIAF c1ccc(-c2cccc(Nc3ncnc4cc5c(cc34)OCCO5)c2)nc1 169326853 HQWHJPOOTKFWHE-UHFFFAOYSA-N 356.385 4.207 0 1 FIAF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]23O4 195295879 SGGGMRQESKILIB-CDHQLHBISA-N 370.489 4.466 0 1 FIAF Clc1nccc2oc(-c3cn4nc(Br)sc4n3)cc12 205922487 IKIAHPQRAVYPFX-UHFFFAOYSA-N 355.604 4.015 0 1 FIAF CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C/C=C/[C@@H](O)CCC(=O)O 231931844 JKPUWSZSJINVLB-YWYVMRIASA-N 360.494 4.491 0 1 FIAF CC(C)CN1CCc2cc(O)ccc2[C@@]1(C)c1ccc(/C=C/C(=O)O)cc1 263621176 WIYPHWOCUFWQTJ-ZWPAVUJESA-N 365.473 4.268 0 1 FIAF in-vitro O=C(O)CSc1ncccc1-c1nc2c(Cl)cc(Cl)cc2[nH]1 586966644 HLQKXEZAYPRFJZ-UHFFFAOYSA-N 354.218 4.108 0 1 FIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)c(C)cc2[nH]1 586973529 PBCWSLYXMAYOIM-LJQANCHMSA-N 353.491 4.290 0 1 FIAF Nc1ccc2c(c1)Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987054 JQHLQRSUWXDKGS-UHFFFAOYSA-N 350.377 4.305 0 1 FIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 587042195 JKYPKXPHUQAPNA-GFCCVEGCSA-N 373.400 4.082 0 1 FIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587069424 KNMHVDUOXZKDLH-DYZYQPBXSA-N 356.813 4.317 0 1 FIAF Clc1cccc(-c2cc(-c3nc4nccc(Br)c4[nH]3)n[nH]2)c1 587072330 YRTFMUBAENTXJC-UHFFFAOYSA-N 374.629 4.431 0 1 FIAF CC(C)Oc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587117379 GHNVHCJIYSAARP-UHFFFAOYSA-N 364.371 4.491 0 1 FIAF OC1(c2nc3ccc(Br)cc3[nH]2)CCC(C(F)(F)F)CC1 587127148 SWOQNKYZVAAKTG-UHFFFAOYSA-N 363.177 4.266 0 1 FIAF CN(C)CCOc1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587150701 DUMJOSSSQFKAQM-LSDHHAIUSA-N 357.404 4.053 0 1 FIAF Cc1nc(N(C)C)ncc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587194515 HMMQFHTUVQKXGM-UHFFFAOYSA-N 355.751 4.067 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(F)cc(F)c2[nH]1 587201491 OLLSVRKQZWFTCG-UHFFFAOYSA-N 353.413 4.422 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(Br)c1F)[C@@H](C2)C3=O 587426128 LMUZVTRKLOCLTE-GTNSWQLSSA-N 363.182 4.086 0 1 FIAF CCCc1c(O)ccc2c1O[C@](Cn1ccnc1)(c1ccccc1)CC2=O 587468780 BABVMIRQBGJHPM-JOCHJYFZSA-N 362.429 4.102 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCN(c3ccc(F)cc3)CC1)CC2=O 587472601 RUZMIHQASOCVFP-UHFFFAOYSA-N 369.436 4.488 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc3[nH]c(CC)cc3c1)CC2=O 587478645 BDGHLRDQLHPODE-IBGZPJMESA-N 350.418 4.490 0 1 FIAF C[C@@]1(c2scc3c2OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587530246 DJYGWKZFRBRQPC-FQEVSTJZSA-N 356.443 4.279 0 1 FIAF CSc1ncc2c(n1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587531704 IUSMTTYDGGTCNS-NRFANRHFSA-N 366.486 4.274 0 1 FIAF Cc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614395 SHNLTXLVSIWPCF-APWZRJJASA-N 353.399 4.034 0 1 FIAF CC(C)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 587792554 IYELSSSMZXFBGU-FVMDXXJSSA-N 353.235 4.323 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3nccc-3c2)N1 587801409 GAMHQIWRQAPOFP-JDNHERCYSA-N 360.230 4.040 0 1 FIAF CC(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806881 BHYZWIZMBQYEGL-DYZYQPBXSA-N 356.279 4.343 0 1 FIAF CC(=O)C12CC([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)(C1)C2 587815346 LSLAGTDDJFRLNK-VRQBJACCSA-N 366.274 4.097 0 1 FIAF CCC1(CC)OC[C@H]([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)O1 587843855 UTUBXGGCROMGJW-CKUKBARFSA-N 372.278 4.095 0 1 FIAF O=C1CCC(c2ccccc2)(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 587971100 SNWOGULTYUFTCJ-UHFFFAOYSA-N 359.351 4.406 0 1 FIAF CN(C)c1ccccc1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962716808 WGLBXHDBQDEKKV-BTYIYWSLSA-N 356.510 4.345 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1oc2cc(O)ccc2c1C 963642710 ZESLGRFKSSFTGI-AMXDTQDGSA-N 367.445 4.262 0 1 FIAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cccc2ccccc12 2356318229 AHIFZBURPWSUTA-NJAFHUGGSA-N 353.535 4.247 0 1 FIAF C[C@]1(CO)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5CO[C@H](O)[C@@H]54)C3=CC[C@H]12 2356805313 ZSBJRMUDYWFFJZ-VZGVZGJCSA-N 372.549 4.449 0 1 FIAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCCC[C@H](C)[C@H]1OC(=O)[C@H]1CO 2356870761 XUNUQGSQIUZPQY-QBMUGXQSSA-N 366.498 4.110 0 1 FIAF Cc1cc(C)c(-n2c(SC(C)(C)C(=O)O)nc3cccnc32)c(C)c1 2382221169 LHILYGWLOBYLHB-UHFFFAOYSA-N 355.463 4.301 0 1 FIAF Cc1cc(-c2cnc3nc(O)ccc3c2)cc2c1C(=O)N([C@H](C)C1CC1)C2 2382238379 ARQBIVFDCRVRFZ-CYBMUJFWSA-N 359.429 4.065 0 1 FIAF Cc1cc(C)nc(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)n1 61926203 PJGBSUTYVWCCIU-AWEZNQCLSA-N 359.886 4.189 0 3 FIAF COc1ccc2c(c1)[C@]13CCN(C)C[C@@]1(C2)Cc1c(n(C)c2ccccc12)C3 58598717 OFQDHATUPFOYDM-JWQCQUIFSA-N 372.512 4.102 0 1 FIAF COCc1cc(SCc2ccc(C(=O)O)cc2)nc(-c2cccs2)n1 102334794 FAMHZNYCJUPPCB-UHFFFAOYSA-N 372.471 4.342 0 1 FIAF COC(=O)Cc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1 29318785 BTDMXXUSRQWTDF-UHFFFAOYSA-N 369.442 4.210 0 1 FIAF O=C(/C=C/c1cccs1)Nc1ccc(N2CCCCC2)c(C(=O)O)c1 64521171 SPZDHFYUAFFOKK-VQHVLOKHSA-N 356.447 4.089 0 1 FIAF Clc1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 73170182 PYAJAGYSRQPQQB-UHFFFAOYSA-N 360.822 4.454 0 1 FIAF C[C@@H](N)CNc1nc(-c2ccncc2)nc2cc(-c3ccccc3)sc12 223682008 VHFKPRNRSLTBPE-CYBMUJFWSA-N 361.474 4.179 0 1 FIAF Cc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C2=NC(=O)CS2)cc1 95577360 CKYMQKPEKCVHMI-LJQANCHMSA-N 363.486 4.392 0 1 FIAF CCN1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 653701740 ZABXGRCMSFYKOV-IBGZPJMESA-N 359.311 4.176 0 1 FIAF COc1cc2ncnc(Nc3c(Cl)ccc(O)c3Cl)c2cc1OC 653720448 HRTJYMQFXOXJOS-UHFFFAOYSA-N 366.204 4.403 0 1 FIAF COc1ccc(-c2nc(/C=C/c3cc4ccccc4nc3OC)no2)cc1 653795732 BATAVSYURFQLJQ-FMIVXFBMSA-N 359.385 4.472 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2C(C)(C)C)N1 587806863 WENUFEWEMCLTAQ-VFZGTOFNSA-N 366.278 4.232 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3[nH]ncc23)N1 587798695 VLLIEHMUXVTYMK-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(F)cc2C=O)N1 587738004 JEGNDZLLRGSYQG-JKYUHCHBSA-N 372.234 4.225 0 1 FIAF O=C1O/C(=C\c2nc3ccc(F)c(Br)c3[nH]2)c2ccccc21 586906119 JNHMKGVAANQSJJ-GHXNOFRVSA-N 359.154 4.133 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1)O2 587379224 GLWKCFVMUBUPGO-KRWDZBQOSA-N 353.809 4.327 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)ncc2[nH]1 587932191 VMXXRKLPQQOICI-APPDUMDISA-N 358.239 4.174 0 1 FIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccccc2[nH]1 587000234 HFJFRBSTADHNHF-ZDUSSCGKSA-N 355.239 4.049 0 1 FIAF O=C(O)c1cc(F)cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587073109 BQQFTVXZGMTBQE-MRXNPFEDSA-N 373.815 4.391 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(O)c2F)N1 587713469 CRQKJGZKDIQUNB-GYKQLYQFSA-N 372.184 4.196 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccoc3c2)N1 587779140 VGQJTERYRCZUKX-HUTHGQBESA-N 361.214 4.353 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccoc1C 587862822 XLOVKWGEWUSIJC-UHFFFAOYSA-N 350.296 4.167 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@@]1(c3ccccc3)CCOC1)CC2=O 587486621 LZMOPWWFNMONAU-IRLDBZIGSA-N 352.430 4.037 0 1 FIAF CC[C@H](C)n1nccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580862 JNZDJAIUWLVFTA-LTBCBRHQSA-N 364.401 4.263 0 1 FIAF Fc1cc(Br)cnc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587156120 VPDBUGMYHKFQDH-UHFFFAOYSA-N 364.071 4.083 0 1 FIAF COc1ccc([C@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1C 962573564 SNBIYAGTXNPTCX-OYHNWAKOSA-N 355.478 4.161 0 1 FIAF COc1ccc2ccc3c(c2c1)C[C@@H](N)[C@H](c1cc(F)c(F)cc1F)O3 1772596159 MDQFWLGJEDPEFU-QUCCMNQESA-N 359.347 4.269 0 1 FIAF COC(=O)c1c(-c2ccc(Br)cc2)oc2ccccc2c1=O 13820329 VVAAMYMHSRMHKY-UHFFFAOYSA-N 359.175 4.009 0 1 FIAF COc1ccc(-c2ccc(-c3ccc(OC)cc3OC)nc2)c(OC)c1 169312264 OAQNTSIUTZAYJG-UHFFFAOYSA-N 351.402 4.450 0 1 FIAF CC1(C)[C@H]2CC[C@H](CN3CCC(N4C(=O)Cc5ccccc54)CC3)[C@H]1C2 169338767 VBVYMUJWPFCVLU-WSTZPKSXSA-N 352.522 4.112 0 1 FIAF COC(=O)/C=C/c1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1 200726457 YHQSAPYIPYYEMD-ZZXKWVIFSA-N 352.342 4.023 0 1 FIAF COc1ccc(-c2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1C 1857601166 YMQJSANMRWALKK-UHFFFAOYSA-N 354.406 4.087 0 1 FIAF O[C@H](CCN1CCc2onc(-c3ccc(F)c(F)c3)c2C1)c1ccccc1 213110737 UOQWCQXOZFZJSX-LJQANCHMSA-N 370.399 4.102 0 1 FIAF O[C@@H](Cc1ccc(Br)cc1)CN1CCC(c2ccccc2)CC1 1628491 JWLITFDJHOZOEK-FQEVSTJZSA-N 374.322 4.232 0 1 FIAF O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(OC(F)(F)F)cc1 13186499 FPDLRJQQMKYBND-UHFFFAOYSA-N 359.687 4.189 0 1 FIAF CCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl 28644821 CNULBBBLRPYEGU-UHFFFAOYSA-N 364.840 4.022 0 1 FIAF COc1ccccc1N1CCN(C(=N)Cc2ccc3ccccc3c2)CC1 29414268 LTUIYGJZCBEDFG-UHFFFAOYSA-N 359.473 4.190 0 1 FIAF O=C(Cc1ccccc1)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 43078475 ZBFBIJHQOZOWOJ-UHFFFAOYSA-N 359.404 4.024 0 1 FIAF Cc1cccc(N2C[C@@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)c1 44434937 XTIBTHQFEFOGNS-AWEZNQCLSA-N 353.809 4.219 0 1 FIAF Cc1cc(/C=C/CNCCC(=O)O)ccc1OCCCCc1ccccc1 59614810 MJVCPNGPPZCSFA-YRNVUSSQSA-N 367.489 4.474 0 1 FIAF CC(C)CN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2)n1 82133207 WBGVLXRNLBSWBM-UHFFFAOYSA-N 366.509 4.108 0 1 FIAF Cc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2ccc(F)cc2)o1 82164667 MWNWNWMZCVTSAV-UHFFFAOYSA-N 352.413 4.482 0 1 FIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc4oc(C)nc4c3)C2)cc1 96172859 IMJLHUOROSGNKM-CQSZACIVSA-N 364.445 4.486 0 1 FIAF C[C@H](CF)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N(C)C2 100844625 ZSLWUVZDXDAKIP-FRULXJFHSA-N 353.865 4.055 0 1 FIAF C[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl 103173047 IYGJSAHUCBRNBR-KRWDZBQOSA-N 364.232 4.285 0 1 FIAF Cc1cccc(Nc2nc(-c3ccc(N4CCN(C)CC4)cc3)cs2)n1 142967204 ADAQJNLGIRKJND-UHFFFAOYSA-N 365.506 4.009 0 1 FIAF C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@@H](F)CC2)cc1)C(F)(F)F 144004695 MCQZOJFPSRKRQW-MPGHIAIKSA-N 373.390 4.342 0 1 FIAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(-c5ccc(F)cc5)n4)c3c2)o1 204758669 GVJNYUQTRLLCQS-UHFFFAOYSA-N 372.363 4.063 0 1 FIAF COc1cccnc1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224550334 FQKVJENLQCOPRU-UHFFFAOYSA-N 366.396 4.328 0 1 FIAF COc1c2c(c3ccoc3c1OC)O[C@@H](c1ccccc1)[C@@H](OC)[C@H]2OC 238738897 CJDWWGLVOLCWPW-ZAAXVRCTSA-N 370.401 4.286 0 1 FIAF CCCC[C@](C)(O)C1=CC[C@@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@H]3C1 253687914 OULNYHNCKOSAJM-WZYRSQIMSA-N 355.522 4.168 0 1 FIAF Cc1cncn1CCCn1c(O)c2c3c(sc2nc1=S)C[C@H](C)CC3 261134730 LUAKJECCCJGMOP-LLVKDONJSA-N 374.535 4.253 0 1 FIAF CO[C@H]1CC[C@H](Nc2cc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1 299851616 HGZNNZYWRLBABG-SHTZXODSSA-N 369.490 4.032 0 1 FIAF CC(C)(SCc1nc2cccc(OCc3ccccc3)c2[nH]1)C(=O)O 586959937 TXHRCKSVOSPZIF-UHFFFAOYSA-N 356.447 4.238 0 1 FIAF CCOC(=O)[C@@H]1C(C)=Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586992649 RBCZPFMVFVSGLV-QGZVFWFLSA-N 371.392 4.215 0 1 FIAF C/C=C/Cc1c(CC(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O 587107115 PJBGIYRZAKNZJA-ONEGZZNKSA-N 357.409 4.280 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3cc(Br)ccc31)O2 587371654 MFFDZFSISCBZHN-SFHVURJKSA-N 372.218 4.107 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C=O)cc3)cc1O)O2 587405517 XKACFPQQEYGPML-QFIPXVFZSA-N 373.408 4.469 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(C)cccc1Br)[C@@H](C2)C3=O 587412591 JBQZSSDFNQRPHO-SGTLLEGYSA-N 359.219 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCc4ccc(C(F)(F)F)cc41)[C@@H](C2)C3=O 587419663 DLYDHGTWZSHIIG-KXBFYZLASA-N 360.331 4.303 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(O)cc1F)CC2=O 587467321 SGMDVHIEGPVTFG-FQEVSTJZSA-N 360.381 4.079 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(=O)OC)c1)CC2=O 587477140 FMHRBQJAYNTUOT-NRFANRHFSA-N 354.402 4.012 0 1 FIAF CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587581489 LLECJLGELYYKQP-WIYYLYMNSA-N 364.401 4.010 0 1 FIAF O=C(c1ccc2c(c1)OCO2)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587634003 SQPPBUMGQIFQRG-UHFFFAOYSA-N 351.255 4.286 0 1 FIAF CCCCn1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587766715 WOCIBZNDZCCGHZ-APPDUMDISA-N 366.278 4.208 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cccnc32)N1 587779420 SFOKMCSBCRHQSB-BBATYDOGSA-N 361.258 4.097 0 1 FIAF CC(=O)C[C@]1(C2(C)CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587814289 GQAOHWRWCDQFFC-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF CN1C(=O)C[C@H]2CN[C@@](C)(c3ccc(F)c4ccccc34)c3cccc1c32 963038575 WIJQLQUEOJGKJA-PSLXWICFSA-N 360.432 4.296 0 1 FIAF COCCCOc1ccc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)cc1 963097816 HRTAGWFACNLZGA-XMSQKQJNSA-N 355.453 4.351 0 1 FIAF CC(=O)OC[C@@H]1CC[C@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCc1ccoc1 2356657987 ANGIGDFEXLRLRW-BZNRXQDOSA-N 372.461 4.071 0 1 FIAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ccccn2)/C1=C(\O)OC1CCCCC1 1488050 ZZNLKHRHUQWXKF-PJCCXHTNSA-N 357.410 4.267 0 1 FIAF O=C(Nc1cccc(Br)c1)n1nc(O)c2ccc(Cl)cc21 13586818 NJZNUFXNUQGGMP-UHFFFAOYSA-N 366.602 4.238 0 1 FIAF CC(C)c1ccc(CNC(=O)[C@H]2Cc3c(sc4ccccc34)CN2)cc1 13833825 QLNHLCQLZSGYIR-LJQANCHMSA-N 364.514 4.355 0 1 FIAF C[C@@]12CCC(=O)N[C@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C(=O)c1ccc[nH]1 26389110 XGBWNEKVHQUBJF-FBCTZMOOSA-N 368.521 4.335 0 1 FIAF COc1ccc([C@H](NC(C)C)[C@H](NC(C)C)c2ccc(OC)cc2)cc1 27891374 RTCCSHQGDXNQSQ-SZPZYZBQSA-N 356.510 4.482 0 1 FIAF CCOC(=O)[C@H](Cc1ccccc1)Nc1nc2cc(CC)ccc2s1 28011076 XVQVFRLTXRRTBB-KRWDZBQOSA-N 354.475 4.445 0 1 FIAF Fc1cccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)c1 29042528 SOFXCIXLIWYDGQ-UHFFFAOYSA-N 358.760 4.485 0 1 FIAF CCOC(=O)c1c(C)nc(SC)nc1-c1ccccc1C(F)(F)F 29322866 LFBQBDUZYSUDFT-UHFFFAOYSA-N 356.369 4.369 0 1 FIAF Cc1ccc(CN2[C@H](C)[C@H](C)Oc3c(Cl)cccc3S2(=O)=O)cc1 72134256 WHHGFCBGSLWNHA-KGLIPLIRSA-N 365.882 4.009 0 1 FIAF Cc1cccc([C@@H](c2cccnc2)c2cc3c4c(c2)CCN4C(=O)CC3)c1 95593220 SEIHBIOLOCLVGP-QHCPKHFHSA-N 354.453 4.406 0 1 FIAF CCc1nnc(N2CCC(c3ccccc3)CC2)n1-c1ccccc1F 96283519 YVBNCDNALNHERK-UHFFFAOYSA-N 350.441 4.353 0 1 FIAF Nc1ccc(CCc2cc(Br)c(O)c(Br)c2)cc1 139207899 FEGUWTAFJUALAZ-UHFFFAOYSA-N 371.072 4.285 0 1 FIAF CN1C[C@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@@H]2CCCC[C@@H]21 169291299 LRFSPZSJAZEPES-PWRODBHTSA-N 357.881 4.425 0 1 FIAF O=C(O)[C@@H]1CCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 169363089 FIMFEAXKPOZWDG-LGVFNWMJSA-N 361.485 4.030 0 1 FIAF CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12CCCOc1ccccc12 200382919 DZHYRNFVEGLPJQ-LJQANCHMSA-N 374.412 4.247 0 1 FIAF Cc1noc(NC(=O)c2ccc(N[C@@H](C)c3ccc(Cl)cc3)nn2)c1C 207423189 WRZHFXOZEJAJTN-LBPRGKRZSA-N 371.828 4.160 0 1 FIAF CC(=O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006404 NAFGBWPDOXYOCP-UHFFFAOYSA-N 354.207 4.448 0 1 FIAF Cc1ncsc1CCc1nc2cc(Br)c(F)c(F)c2[nH]1 587026780 IBWHOAUYJUBVMK-UHFFFAOYSA-N 358.211 4.154 0 1 FIAF COc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cn1 587077196 TVXXQBMFLZZYKJ-UHFFFAOYSA-N 352.781 4.055 0 1 FIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)n1 587079231 HVZXPNGLSHNBQM-MRVPVSSYSA-N 367.236 4.491 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc(F)c(OC(F)F)c1)O2 587381182 CQPZJBOBVMGHHC-LBPRGKRZSA-N 365.351 4.284 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c(F)c(F)c(F)c(F)c13)O2 587387978 XZDLVDDIPLQFEZ-LLVKDONJSA-N 364.298 4.321 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1N1C[C@@H](C)C[C@@H](C)C1)O2 587396271 RIDPTMDOTNLDRF-HRSBRNJNSA-N 356.510 4.202 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC(F)(F)F)c1)[C@@H](C2)C3=O 587423894 WBAPDGFEXNTUHM-KSSFIOAISA-N 364.319 4.257 0 1 FIAF CC[C@H](C)Oc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587442906 ZQPOWFILDBVTPI-OLZZKDKNSA-N 368.429 4.370 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)ccc1Cl)CC2=O 587461221 RGCSQLFKOVSHEW-GOSISDBHSA-N 374.820 4.491 0 1 FIAF COc1cc(F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570681 XFEBAVBXMDYALK-NQIIRXRSSA-N 366.344 4.243 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(C)(C)CC(=O)O)N1 587830662 VYFZFCYDJXKOOT-QGHHPUGFSA-N 372.278 4.229 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1ccc(N3CCCC3)s1)N(C)[C@@H](C)C2 962571943 PHQWBSXEPVWRPZ-LHSJRXKWSA-N 372.534 4.331 0 1 FIAF Cc1ccc(SC[C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963018878 FHSWBKQWRVQMBD-VFNWGFHPSA-N 352.503 4.056 0 1 FIAF Cc1ccc([C@@]2(CCCCCC(=O)O)NCCc3ccc(O)cc32)cc1 963340191 GHTKLMBBEODEIL-JOCHJYFZSA-N 353.462 4.125 0 1 FIAF CC(=O)N1c2ccc(-c3ccccc3)cc2N(C(=O)c2ccco2)C[C@@H]1C 1857761719 KNFQVRRKTXLXDN-HNNXBMFYSA-N 360.413 4.348 0 1 FIAF CC(=O)Nc1ccc(-c2cc(N[C@H]3CCCNC3)c3ccncc3c2)cc1 1911579385 WLYQNZYLNRAMFN-FQEVSTJZSA-N 360.461 4.024 0 1 FIAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 2356451923 WNTDPCKCELJDEM-YMQHIKHWSA-N 364.526 4.303 0 1 FIAF CC(=CC(=O)O)CC[C@@H]1[C@H](C(C)(C)O)CC[C@]1(C)CC=C(C)C(=O)O 2356452263 KPQXJVQFJZUGRC-QINHECLXSA-N 352.471 4.022 0 1 FIAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CC=CC=Cc4ccccc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356626884 NOUPIFUCBJJMRR-CSYHVJCOSA-N 374.480 4.332 0 1 FIAF CC(=O)Oc1ccc(C=CCOCC=Cc2ccc(OC(C)=O)cc2)cc1 2356365969 WQJYZRMAVNXXHE-UHFFFAOYSA-N 366.413 4.280 0 1 FIAF C(=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2ccccn2)cc1)\c1ccccc1 100106792 KZMQAQRVOGOYSS-SRQLCYDRSA-N 367.496 4.192 0 1 FIAF Cc1ccc(C2(c3ccc(C)cc3)NC(=N)N(C3CCCCC3)C2=O)cc1 103243786 WXGXYANQBMXOAS-UHFFFAOYSA-N 361.489 4.246 0 1 FIAF COc1ccc(-c2csc([C@](C)(NC(C)=O)c3ccccc3)n2)cc1 61927452 RHMRNDDNOWQMRG-HXUWFJFHSA-N 352.459 4.218 0 3 FIAF CCOC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@H](c1ccccc1)O2 28867310 CJXXEERSUTYUSB-GOSISDBHSA-N 350.418 4.194 0 1 FIAF CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1c(Cl)cccc1Cl 61926018 LXGONHKOCHSEMK-SFHVURJKSA-N 371.308 4.295 0 3 FIAF CCC/C=C/C=C/C=C/CCCOC[C@H](O)COC(=O)c1ccc(O)cc1 34285702 GPOOJUQRKZSJIB-JUZBPIOXSA-N 374.477 4.175 0 1 FIAF COc1ccc2c(c1C)C[C@](CCN(C)C)(c1ccc(Cl)cc1)OC2=O 53230201 YTBKEGNNCMYUJJ-OAQYLSRUSA-N 373.880 4.217 0 1 FIAF COc1ccc([C@](C)(O)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 61908344 KXDHQAGDPSQGHJ-FQEVSTJZSA-N 371.458 4.092 0 3 FIAF COc1cc(CNc2cc3c(cn2)[nH]c2ccccc23)cc(OC)c1OC 72175689 DEHCGUDEYDOGSS-UHFFFAOYSA-N 363.417 4.354 0 1 FIAF CCOc1ccc(OCC)c(NC(=O)CCSCCc2ccccn2)c1 37868849 CGGMCJKCEULSAN-UHFFFAOYSA-N 374.506 4.184 0 3 FIAF Cc1ccccc1NC(=O)C[C@@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 74373802 NSPFWCFXDXBMRO-IBGZPJMESA-N 357.841 4.017 0 3 FIAF CC(C)(C)c1ccc(COc2ccc3cc(C(=O)O)c(=O)oc3c2)cc1 72118918 MGELAUCIIFNOSD-UHFFFAOYSA-N 352.386 4.368 0 1 FIAF CC[P@](=O)(O)c1ccc2oc(-c3cccc(C(F)(F)F)c3)nc2c1 1911578543 MCKIJZKGXVOZTB-UHFFFAOYSA-N 355.252 4.429 0 1 FIAF C[C@@H](Sc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1)C(=O)O 40505298 OTKYZBZFSBHIJZ-SNVBAGLBSA-N 364.829 4.442 0 1 FIAF CC[C@H]1[C@@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC(=O)[C@@H]1C 40650998 OQUJWCCEFSDNKI-MQWGLAERSA-N 367.533 4.225 0 1 FIAF CCc1c[nH]c2ncc(-c3cc([C@@H]4CCOC4)n(C4CC(F)(F)C4)n3)cc12 146477510 AKWNXCPYKGBXLR-CYBMUJFWSA-N 372.419 4.463 0 1 FIAF O=c1cc(CO)oc([C@H](c2ccccc2)c2csc3ccccc23)c1O 299827588 GMYCMKFIYVLZDY-LJQANCHMSA-N 364.422 4.233 0 1 FIAF Brc1cc(/C=C\c2nc3ccccc3[nH]2)cc2c1OCCO2 586999847 CNLOBUDRSPYLPC-WAYWQWQTSA-N 357.207 4.267 0 1 FIAF Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587614196 RQMGTMMOCYSJQA-LPHOPBHVSA-N 353.399 4.034 0 1 FIAF COc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc(Cl)c1O 587045878 IBCABNHRNNKOSN-UHFFFAOYSA-N 369.602 4.066 0 1 FIAF Fc1c(Cl)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1F 587040570 IAIDGTIYOFUAEU-CHWSQXEVSA-N 365.836 4.441 0 1 FIAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C(C)C 587583677 WNMDGYOBCYMUCZ-WIYYLYMNSA-N 364.401 4.181 0 1 FIAF O=C(/C=C\c1nc2ccc(Br)c(F)c2[nH]1)Nc1ccccc1 587244111 LEWYUDUQRSUDNX-HJWRWDBZSA-N 360.186 4.116 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccn1)C1CC1 587589655 WOJAHEJMHHMAPI-OFNKIYASSA-N 373.408 4.140 0 1 FIAF Cc1cnc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587588854 MDDTXHDLUJJBBL-RXVVDRJESA-N 372.380 4.280 0 1 FIAF COc1cc2c3c(c1)OC1(CCN(c4cccc(C)c4C)CC1)[C@@H](C2)C3=O 587438839 RNMSESWZVAEDJY-SFHVURJKSA-N 363.457 4.099 0 1 FIAF Fc1ncc(Br)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587178055 NRJSLKDYHLPBQO-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ncc1C(F)(F)F)[C@@H](C2)C3=O 587420965 IRVLQLVHLNDKAE-MGPLVRAMSA-N 369.726 4.251 0 1 FIAF COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)ccc1Br 586977481 POBJIQOTZXOLHJ-HWKANZROSA-N 373.206 4.233 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(F)cc1F)O2 587385018 LATKVUWHSLOCPC-LJQANCHMSA-N 354.356 4.353 0 1 FIAF C[C@]1(c2ccc3[nH]ncc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598010 XFZVFNWDNVEJDU-SIKLNZKXSA-N 372.380 4.146 0 1 FIAF Oc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(Cl)c1 587055426 QNHZJRJIDKFELY-UHFFFAOYSA-N 359.010 4.400 0 1 FIAF COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599986 JUDVLXIXVZFQQK-UGKGYDQZSA-N 362.381 4.278 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccsc2C(=O)c2ccsc21 587414909 PLHGQHIQWAVLMR-LJQANCHMSA-N 367.451 4.154 0 1 FIAF Brc1cnc2[nH]c([C@H]3SCCc4sccc43)nc2c1 587037880 ZVJLRTMJUCZOKJ-NSHDSACASA-N 352.282 4.161 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc4c(c31)CCO4)CC2=O 587492540 QZPNCIONZYCVKO-QFIPXVFZSA-N 350.414 4.087 0 1 FIAF CCc1ccc2oc(Cc3cccc(OC)c3)c(CCNC(C)=O)c2c1 13474351 XAAPVWYAMTXQIO-UHFFFAOYSA-N 351.446 4.273 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCSCC(=O)O 169338003 XSDONMUCMOXKHQ-GHZZPJEZSA-N 370.555 4.457 0 1 FIAF Clc1ccc(C[C@]2(COc3cccnc3)CCCNC2)cc1Cl 1857541806 GDWGKXWHTRSAQZ-GOSISDBHSA-N 351.277 4.380 0 1 FIAF COc1cccc2[nH]cc(CCNCc3ccc(-c4ccc(O)cc4)o3)c12 1857573046 CZLSEABFCZWLAR-UHFFFAOYSA-N 362.429 4.474 0 1 FIAF FC(F)(F)Oc1cccc(COCC2(c3ccccc3)CCNCC2)c1 13781986 QSUSVQBWSZZTNK-UHFFFAOYSA-N 365.395 4.423 0 1 FIAF N[C@@H]1Cc2c3n(c4ccc(O)cc24)C(=O)C[C@@]2(c4ccccc4)CCC[C@@H]1[C@@H]32 27896619 LYYLBHXJEHILGY-JVNFAETMSA-N 372.468 4.096 0 1 FIAF CN[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 28126164 LBHJZTQANJXNGX-QFIPXVFZSA-N 371.484 4.404 0 1 FIAF CN(C)CCCOc1ccc2oc3ccc(OCCCN(C)C)cc3c2c1 39208135 VARODNQOPGUEND-UHFFFAOYSA-N 370.493 4.247 0 1 FIAF CCn1cc(C(=O)O)c(=O)c2cc(Nc3cccc(Cl)c3F)ccc21 40976318 CIHHBHCZUILBGV-UHFFFAOYSA-N 360.772 4.256 0 1 FIAF C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc2c3c(cccc13)C(=O)N2C 45186546 FZTRHZDEGJYIIM-ZHRRBRCNSA-N 374.484 4.074 0 1 FIAF O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)ccc12 63540304 PJGVHNKOSZHYJP-UHFFFAOYSA-N 350.275 4.432 0 1 FIAF CN(Cc1ccccc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1 72109169 TVJJRRXSHACDAR-UHFFFAOYSA-N 365.864 4.301 0 1 FIAF CCOC(=O)c1nn(C(=O)c2ccc(Cl)cc2Cl)c2ccccc12 95596435 PPWNHQPUBDHPKP-UHFFFAOYSA-N 363.200 4.208 0 1 FIAF O=C1CCc2cc([C@@H](c3ccncc3)c3ccc(F)cc3)cc3c2N1CC3 95596945 LWKVNAFICMOXCO-JOCHJYFZSA-N 358.416 4.236 0 1 FIAF CCOC(=O)c1cccc(-c2cnc(N)c(N[C@H](C)c3ccccc3)n2)c1 96284831 ZBGSTBDOVHSUIJ-CQSZACIVSA-N 362.433 4.076 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](O)CC3)s2)o1 101270262 SYPGWQCWWXBNKA-TXEJJXNPSA-N 367.540 4.436 0 1 FIAF CC(C)(C)OC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl 103272171 PRRNXRVPPVYHMV-UHFFFAOYSA-N 361.825 4.039 0 1 FIAF c1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCCCCC1 103298400 SYGXBYXYFFPDTG-UHFFFAOYSA-N 355.570 4.170 0 1 FIAF COc1cc2sc(-c3c(-c4ccc(F)cc4)n[nH]c3N)nc2cc1F 114397851 JDRWZPMNLJGQAX-UHFFFAOYSA-N 358.373 4.222 0 1 FIAF Cc1cc(F)c2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2c1 587014303 OZUZFCZHOWZKSF-UHFFFAOYSA-N 362.430 4.159 0 1 FIAF Oc1cccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587080402 CGNXIGRHSYDFOM-UHFFFAOYSA-N 361.792 4.299 0 1 FIAF FC1(F)Oc2cc3nc(Cc4ccccc4C(F)(F)F)[nH]c3cc2O1 587106517 IXSOJVGECQCYCS-UHFFFAOYSA-N 356.250 4.494 0 1 FIAF Cc1nccc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 587115966 HJSJAXNKTUBLJR-UHFFFAOYSA-N 357.133 4.110 0 1 FIAF Cc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Br 587118912 SNVFXZAMIGKKGT-UHFFFAOYSA-N 373.176 4.092 0 1 FIAF CCCc1nc(-c2nc3c(F)cc(F)cc3[nH]2)nn1-c1ccccc1F 587156774 ROQVATTXKFEBSA-UHFFFAOYSA-N 357.339 4.180 0 1 FIAF CCn1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587343471 TXMWVXCCRUMUNG-TZIWHRDSSA-N 366.392 4.022 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CC1C(=O)CC(C)(C)CC1=O)CC2=O 587482379 NYAUYIVJBDEZDT-QFIPXVFZSA-N 372.461 4.033 0 1 FIAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 587552492 RVEVGTAVQHQJOF-VQIMIIECSA-N 367.788 4.452 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2N)N1 587731940 MCKXIEDZHNPLQR-HUTHGQBESA-N 367.237 4.107 0 1 FIAF CCCCc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587796055 ZUXVYCUCIFSYEC-QGHHPUGFSA-N 366.278 4.278 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nc[nH]c3c2)N1 587801023 CFBXMLIIGMEUAP-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cc3ccccc3C2=O)N1 587829638 RRTVNHHNBYLHOK-WYRIXSBYSA-N 372.237 4.227 0 1 FIAF CC[C@@]1(C2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834340 KZOVRNUZCXFMHK-DIFFPNOSSA-N 356.279 4.154 0 1 FIAF COc1cc(O)cc(-c2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)c1 587932172 PCLLGZLKVPQECE-UHFFFAOYSA-N 356.385 4.487 0 1 FIAF Cc1c(F)ccc2c1[C@@H](c1n[nH]c3ccc(Br)cc13)NCC2 962086887 CKQMBFFJRKIAAH-KRWDZBQOSA-N 360.230 4.008 0 1 FIAF COc1cc(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3n2)cc(OC)c1OC 1772624945 HNMRIPWPQMCJST-HZPDHXFCSA-N 363.413 4.247 0 1 FIAF Fc1ccccc1-c1cc(N(Cc2ccccn2)Cc2ccccn2)ncn1 1857618011 HKMGBPUXYJCXCB-UHFFFAOYSA-N 371.419 4.280 0 1 FIAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccnc(OC(F)F)c3)nc2c1 2382257756 XWLQZIWKAASSDY-RUZDIDTESA-N 368.276 4.061 0 1 FIAF CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CCc3ccccn3)C2)cc1 11665380 BODVOITXKDGOCJ-OAQYLSRUSA-N 351.494 4.241 0 3 FIAF CSc1ccccc1OCc1cc(C(=O)N(C)Cc2ccc(C)o2)no1 12612983 IMKDCLGUIRBNHI-UHFFFAOYSA-N 372.446 4.149 0 3 FIAF COc1c(-c2ccccc2)oc2c(CP(=O)(OC)OC)cccc2c1=O 1648802 JYIDRZCWGQCXLJ-UHFFFAOYSA-N 374.329 4.455 0 1 FIAF CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 13302726 MVSNOMINTBGJOH-VLCRHTCISA-N 372.461 4.220 0 1 FIAF biogenic CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@H]1c1cccc(OC)c1 26823227 SLHXCJDHRACRDL-ZMESVYRVSA-N 373.449 4.143 0 1 FIAF COc1cc(/C=C\c2ccc3nc(C)c(C)nc3c2)cc(OC)c1OC 27211002 CDUGLCNFFUMCSD-SREVYHEPSA-N 350.418 4.443 0 1 FIAF C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1 34490523 DNRUIQGATOOIFC-UHFFFAOYSA-N 369.222 4.260 0 1 FIAF COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3C)c2cc1OC 40412542 PBJYETCPHRTRBG-UHFFFAOYSA-N 371.824 4.056 0 1 FIAF O=C1CC2(N3CCCCC3)C[C@H](c3ccccc3)C(N1)[C@@H](c1ccccc1)C2 40766757 JANYVRGTCTXBAJ-FFMTYJSISA-N 374.528 4.461 0 1 FIAF COP(=O)(OC)[C@H](OC(=O)COc1ccccc1Cl)c1ccco1 103192396 HSGBAWILKNSFTH-HNNXBMFYSA-N 374.713 4.040 0 1 FIAF O=C(NN1CCCCC1)c1ccc(Cl)c(-c2cccc(Cl)c2)n1 150119372 CJGILMKNTNWOES-UHFFFAOYSA-N 350.249 4.186 0 1 FIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cc21 169704938 CLYGEYINXAEOCM-ZWKOTPCHSA-N 363.461 4.053 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc3ncccc3c2[nH]1 586917966 VJZWQPMIPALUFR-AOMKIAJQSA-N 357.413 4.328 0 1 FIAF O=C(O)c1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1F 587018273 ZREQJTOKWSTPNI-UHFFFAOYSA-N 374.784 4.239 0 1 FIAF NC(=O)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587125899 VEJFFPLLOMADDA-BAQGIRSFSA-N 363.364 4.444 0 1 FIAF Fc1cccc([C@H]2C[C@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1F 587149784 BEDKKMBTSAQEDS-HTQZYQBOSA-N 368.156 4.409 0 1 FIAF CCc1ccccc1NC(=O)c1nc2c(Br)c(F)ccc2[nH]1 587240721 INXXOWCCCLALQU-UHFFFAOYSA-N 362.202 4.279 0 1 FIAF Cc1coc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587341714 XHXUGMDGFODKRB-FXAWDEMLSA-N 353.349 4.102 0 1 FIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C(=O)O)C3)c1 587365486 HUGMMVOPQUUWBB-ZDUSSCGKSA-N 359.381 4.456 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(Br)s1)CC2=O 587494101 ICUCIQKRGYYLQN-LBPRGKRZSA-N 368.252 4.270 0 1 FIAF O=C1C[C@](C(=O)O)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587508876 UOZCNJJYODSANF-HXUWFJFHSA-N 356.805 4.164 0 1 FIAF CCN(C(C)=O)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587536314 UJGIYJIQQZXADX-SFHVURJKSA-N 370.474 4.101 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc(F)c1F 587559444 XLOWCFLIKIKRQE-UZLBHIALSA-N 370.307 4.079 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc[nH]n2)o1 587596745 RRSDHSDVZIOXDI-NQIIRXRSSA-N 374.352 4.078 0 1 FIAF COc1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600626 OSNKQZQWFCGHPT-NFBKMPQASA-N 374.392 4.204 0 1 FIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc(C(C)C)cc1 587650671 QJRIPMURLKBDIH-UHFFFAOYSA-N 370.474 4.256 0 1 FIAF CNc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587745956 XXPRKVOPIKGIKC-VOJFVSQTSA-N 363.274 4.428 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2NCC3)N1 587789189 AJQUWHYUORTVIQ-XTZNXHDOSA-N 361.258 4.180 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccnc3[nH]2)N1 587805374 UDLCMGMKYRFRNR-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF CCc1csc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587851177 HMCYGIZPCVVUNW-RMLUDKJBSA-N 355.276 4.231 0 1 FIAF CCN1C(=O)[C@@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(F)ccc21 962659229 BHESFDRXGNIGRW-XMMPIXPASA-N 372.443 4.249 0 1 FIAF Cc1ccnc2c1CCN[C@@]21CCc2c(OCc3ccccc3)cccc21 963085898 HYYMXTPKMMOEHA-XMMPIXPASA-N 356.469 4.305 0 1 FIAF NC(=O)c1cc(Cl)ccc1NC(=O)c1ccccc1-c1ccccc1 1772650289 XLRFYWXAIGRMCT-UHFFFAOYSA-N 350.805 4.358 0 1 FIAF COc1cc(CNc2cccc(C(=N)N)c2)ccc1OCc1ccccc1 1857564086 DDIOQNBIOKWHRB-UHFFFAOYSA-N 361.445 4.170 0 1 FIAF Cc1cc(C)cc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 1857580010 YNFLDFOKBAVMKP-DEOSSOPVSA-N 369.468 4.210 0 1 FIAF FC(F)(F)c1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1 1857603135 YNCMUJYZOUDEPS-SFHVURJKSA-N 350.384 4.092 0 1 FIAF COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 1857637314 ASYORZBTJYNGKT-UHFFFAOYSA-N 364.232 4.266 0 1 FIAF COC(=O)C=Cc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1 2356398650 YHQSAPYIPYYEMD-UHFFFAOYSA-N 352.342 4.023 0 1 FIAF CC=C1c2ccc(C=O)n2[C@H]2C[C@H]1[C@H](C(=O)OC)c1c2[nH]c2ccccc12 2356516105 LMQWGENTCNSYQP-BPAFIMBUSA-N 360.413 4.065 0 1 FIAF COC(=O)C1=C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@H]1C3 2356733306 OJSJNWQDEOTLSR-FJKBGMSKSA-N 360.494 4.282 0 1 FIAF Cc1ccccc1-c1cnn(C(C)(C)C(=O)NCc2cc(F)ccc2F)c1 74387656 RXXUSGKLDPEMPU-UHFFFAOYSA-N 369.415 4.188 0 3 FIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CC=CCC1 13449225 ADAPJJJJIQWICU-INIZCTEOSA-N 367.320 4.179 0 1 FIAF CCCCCC1=CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2CC1 38142401 KXQQNBVZDRVNGR-LJQANCHMSA-N 354.450 4.090 0 1 FIAF COc1ccc(CNc2cc(-c3cc(F)ccc3F)ncn2)cc1OC 82161272 WEPJEHMYXXFQLH-UHFFFAOYSA-N 357.360 4.051 0 1 FIAF C=C(c1ccc2c(c1)c(C=O)cn2C)c1ccc(OC)c(OC)c1OC 95585473 DUUPTCUVGXOQOJ-UHFFFAOYSA-N 351.402 4.078 0 1 FIAF O=C1c2sc(COc3ccccc3F)nc2CCN1c1ccc(F)cc1 96283920 PDNKIKDJRLUOME-UHFFFAOYSA-N 372.396 4.203 0 1 FIAF CCCOC(=O)CCCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 96911376 MDFUNBBVYZXYJZ-HXUWFJFHSA-N 365.901 4.392 0 1 FIAF Cc1ccccc1NCn1nc(-c2ccc3c(c2)OCCO3)oc1=S 96935205 CEFQOMYTKSXBAU-UHFFFAOYSA-N 355.419 4.022 0 1 FIAF Nc1ccc2c(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c[nH]c2c1 103227650 OMVUFMHIOSLDMU-UHFFFAOYSA-N 365.452 4.027 0 1 FIAF CC(C)(C)C(=O)CSc1cc(C(F)(F)F)nc(-c2ccncc2)n1 103375715 QJDHXPIKUBNHIS-UHFFFAOYSA-N 355.385 4.265 0 1 FIAF CC1=N[C@@]2(CCOc3ccc(-c4cc(Cl)cc(Cl)c4)cc32)N=C1N 169708507 BTQYJGMMVLMRIM-SFHVURJKSA-N 360.244 4.427 0 1 FIAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3cccs3)cc2)C1 299845039 FPNYXMREXNRRRR-YJBOKZPZSA-N 355.507 4.063 0 1 FIAF Cc1cc(NCc2ccccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 473087972 GYCQQTSTDOHQQT-UHFFFAOYSA-N 359.351 4.273 0 1 FIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1 586878281 BNLPGDCLKIVZRL-UHFFFAOYSA-N 364.792 4.347 0 1 FIAF FC(F)(F)c1cc(Br)c2[nH]c(C3CC4(COC4)C3)nc2c1 586918435 YYMOHLFCQCMAQV-UHFFFAOYSA-N 361.161 4.238 0 1 FIAF CCOC(=O)[C@H]1C(C)=Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586992647 RBCZPFMVFVSGLV-KRWDZBQOSA-N 371.392 4.215 0 1 FIAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587024091 VESWUUPZXAZIQO-UHFFFAOYSA-N 354.460 4.117 0 1 FIAF Brc1cncc2nc([C@@H]3SCCc4sccc43)[nH]c12 587036453 BTKPJGBAOHCMOX-GFCCVEGCSA-N 352.282 4.161 0 1 FIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(F)cc(F)c2[nH]1 587041677 CZVOBPVGAMWAGS-ZDUSSCGKSA-N 365.792 4.150 0 1 FIAF Cc1c(Br)ccc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c12 587254665 WGLPSZTXPZHUHC-UHFFFAOYSA-N 353.223 4.262 0 1 FIAF CC1(C)[C@H]2OCC[C@H]2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587359407 RPLOHTAGBZAFPG-DCZASFAJSA-N 368.404 4.074 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc3cc(Cl)ccn13)O2 587380889 XTDPCIUORBJEER-ZDUSSCGKSA-N 362.216 4.238 0 1 FIAF COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F 587383071 QNCCGMPZQDJEOR-IBGZPJMESA-N 363.360 4.068 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccccc1Cl)[C@@H](C2)C3=O 587419234 KJQKNKWRODQJHB-RNODOKPDSA-N 366.804 4.227 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(OC)cc1O)CC2=O 587460002 KIBIDAUVMYSBMO-KRWDZBQOSA-N 362.809 4.419 0 1 FIAF CCCOc1cccc(Cc2nc3c(C)c(Br)cnc3[nH]2)c1 587568872 OLVQKFDEXHKWHK-UHFFFAOYSA-N 360.255 4.408 0 1 FIAF COc1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587571345 NDAJACUXJXXSGD-RXVVDRJESA-N 366.344 4.243 0 1 FIAF CCCCc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587588721 LFBHZNFDUBDAPP-WIYYLYMNSA-N 364.401 4.161 0 1 FIAF C[C@H]1CCCCN1C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587761217 OMLFUMMPTPKDGQ-VBHSOAQHSA-N 369.322 4.212 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nccnc3c2)N1 587779476 SQQHLFQENFHWJM-MLCYQJTMSA-N 372.241 4.155 0 1 FIAF CCc1cc(O)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587835437 WMKVITVKXYGNDY-MGNBDDOMSA-N 364.258 4.480 0 1 FIAF CC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836000 ZDPCCPAPEHCAHS-ZMZPIMSZSA-N 364.258 4.482 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cc3ccc(C=O)[nH]3)[nH]2)N1 962945775 GRARRNCLZKRXJP-QKFKETGDSA-N 372.472 4.241 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC)[C@@H](CC(=O)OC)C(=O)CC 963242920 QRHOFVAWDLJYHZ-GTCCEBARSA-N 359.510 4.107 0 1 FIAF COc1cccc(NC(=O)[C@H](C)[C@@H]2CCc3c(C)cc(O)c(C)c3C2)c1 1772625480 SANHZLSAWYMFNQ-GDBMZVCRSA-N 353.462 4.397 0 1 FIAF CCCCCCn1c(CS(=O)(=O)c2ccc(N)cc2)nc2ccccc21 1857747144 HKSBIOMLGADHEB-UHFFFAOYSA-N 371.506 4.173 0 1 FIAF CC(=O)O[C@]1(C)C=CC[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]2[C@H](O)C1 2356519566 HXNTUGGXVUBGMN-AEDPHKLOSA-N 364.526 4.015 0 1 FIAF CC(C)=CC[C@@H](O)C(C)=CC=CC(C)=C[C@@](C)(O)CC=CC=CC(=O)O 2356685674 AJIPQLGQGAHQQV-IRLDBZIGSA-N 360.494 4.491 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@H]32)C1 2356695009 PXJSGBDQUJYNKD-AFJIZLHOSA-N 374.521 4.059 0 1 FIAF Cc1c(-c2nc3ccccc3c(=NCCCCN(C)C)[nH]2)[nH]c2ccccc12 2382232587 OLIYSHITMNGENI-UHFFFAOYSA-N 373.504 4.262 0 1 FIAF N=C(N)c1cccc(Oc2ccc(-c3cc4ccc(C(=N)N)cc4[nH]3)cc2)c1 1995716 JIAOXABVTMPZRF-UHFFFAOYSA-N 369.428 4.195 0 1 FIAF CC1(C)CC(=O)c2cc3c(N)c(C(=O)c4cccs4)sc3nc2C1 4192852 KOWKRZJURUEEBU-UHFFFAOYSA-N 356.472 4.326 0 1 FIAF Cc1ccc(Cn2c(CN3CCC(C(=O)O)CC3)cc3ccccc32)cc1 8610354 DHXHXEOYTNEJMY-UHFFFAOYSA-N 362.473 4.295 0 1 FIAF CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1nnn[nH]1 13472133 ZHPXMWLTROTDCH-UHFFFAOYSA-N 356.453 4.153 0 1 FIAF O=C(Nc1nccs1)c1ncsc1Cc1ccc(F)cc1Cl 28122251 GOJSWWPJAAVYDR-UHFFFAOYSA-N 353.831 4.235 0 1 FIAF N=C(N)c1ccc2cc(CCCCc3cc4ccc(C(=N)N)cc4o3)oc2c1 28870127 FUFNTZWLRXMLQC-UHFFFAOYSA-N 374.444 4.313 0 1 FIAF O=C1C[C@@H]2c3ccccc3O[C@H]3c4cccc(O)c4-c4c(O)cc(O)c1c4[C@H]23 29128768 VYRXNKPPFHPOIN-BTPUUTEISA-N 372.376 4.371 0 1 FIAF biogenic CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@H]3O[C@H](C[C@@]4(C)CCC[C@]3(C)O4)[C@@H]21 40401985 XBXWRLRZRQRZHE-QJDFYSGISA-N 364.526 4.496 0 1 FIAF CC(C)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45357035 GHJPGPNNFIPPNV-GFCCVEGCSA-N 366.305 4.304 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccc(F)cc4)cc3)[nH]c2c1 64528536 VGSSAFOWDKZJBX-UHFFFAOYSA-N 366.417 4.440 0 1 FIAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2c(c1)OCCCO2 95589235 DQQYGMAXFRKJKB-GOSISDBHSA-N 370.836 4.199 0 1 FIAF C[C@H](C[18F])OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N(C)C2 169292582 ZSLWUVZDXDAKIP-UTJKYURCSA-N 352.868 4.055 0 1 FIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccccc2)s1 169371632 KMHHAGQMYNMKGL-SWGSDGEOSA-N 365.498 4.454 0 1 FIAF CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3c(F)cccc23)CC1 201850606 KKTUSLHXJTVCKO-UHFFFAOYSA-N 371.500 4.138 0 1 FIAF CC(=O)O[C@@H]1C[C@@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@@H]1[C@@H](C)CCC=C(C)C 238780487 OGYMASQTERCZQQ-CKABRWCPSA-N 360.494 4.446 0 1 FIAF COc1cc(C(=O)c2ccn(-c3ccccc3Cl)c2)cc(OC)c1OC 299824291 BNPFPGUPVCSVTK-UHFFFAOYSA-N 371.820 4.388 0 1 FIAF CCCC(Br)(CCC)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586971777 XRVCOANJWRNENX-UHFFFAOYSA-N 351.248 4.335 0 1 FIAF Nc1ccc2c(c1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987590 OUVUNVQNDAKINN-UHFFFAOYSA-N 364.404 4.500 0 1 FIAF Cc1cc(Br)c2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2c1 587158834 XZTHBPWHIACOPA-DIFFPNOSSA-N 360.230 4.114 0 1 FIAF O=C(N[C@H](c1ccccc1)c1nc2ccnc(Cl)c2[nH]1)c1ccccc1 587222085 XTRYGHHRKBCRQM-MRXNPFEDSA-N 362.820 4.131 0 1 FIAF N[C@@H](Cc1nc2c(Br)ccnc2[nH]1)c1cccc2ccccc12 587258783 KFCLECPVVCSDRL-HNNXBMFYSA-N 367.250 4.116 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(=O)O)cc3)o1)O2 587407565 CNQLGPPLIFDGBT-LJQANCHMSA-N 363.369 4.242 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1C(F)(F)F)[C@@H](C2)C3=O 587419523 GOMNJAJVTLXQHR-YVEFUNNKSA-N 352.283 4.342 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCOc4c(C(C)C)cccc41)[C@@H](C2)C3=O 587450689 FSCOCMUIFQYJBE-JTSKRJEESA-N 350.414 4.244 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCOC)(Cc1cccc(F)c1)CC2=O 587466052 IMYGUYGBYTVKMS-QFIPXVFZSA-N 372.436 4.467 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1F 587554429 DGGQYGRNVRBYFN-PXNSSMCTSA-N 354.308 4.373 0 1 FIAF O=NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570152 ICTHJOVJMSZOPM-NQIIRXRSSA-N 361.353 4.016 0 1 FIAF C[C@]1(c2c[nH]c3cccnc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587775 HTRJOXXQXYIMEP-PGRDOPGGSA-N 372.380 4.146 0 1 FIAF CC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606296 DKQWPDWTARHHMH-KNQAVFIVSA-N 362.381 4.365 0 1 FIAF CCCN1C(=O)[C@@](O)(c2c(C)[nH]c3c(C)cc(Cl)cc23)c2ccccc21 587627114 OGPDVJVXPACPFD-NRFANRHFSA-N 368.864 4.431 0 1 FIAF Cc1ccnc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587772919 PSNVOFSDJKSWAI-KZULUSFZSA-N 363.274 4.284 0 1 FIAF CC(C)[C@@H]1C[C@@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587829367 BZUJYVHLKPQBOI-ZTFRIQLXSA-N 356.279 4.153 0 1 FIAF Cc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850977 GZJDKEJKJQWUMT-ZKANADHPSA-N 369.303 4.459 0 1 FIAF C/C=C1/NNC(=O)C(c2nc(-c3ccc(SC)cc3)cs2)=C1CC 587924523 BIEUASDTARTJMW-LHHJGKSTSA-N 357.504 4.234 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCc2cc(C)c(Cl)cc21 963606383 HNGBKSZQNKCPNG-ASSNKEHSSA-N 357.881 4.390 0 1 FIAF CC(=O)c1ccccc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772603719 LWOYGESKODFZAS-SFHVURJKSA-N 353.349 4.290 0 1 FIAF Cc1nc(NC(=O)Nc2ccc(Br)cc2)c(C)c(C)c1O 1857754464 UCTUPFREMAHZBU-UHFFFAOYSA-N 350.216 4.119 0 1 FIAF CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cccs2)cs1 61906772 POZPZPMVKQQMNI-HNNXBMFYSA-N 350.415 4.375 0 3 FIAF COC(=O)c1cc(-c2ccc(-c3ccccc3)c(F)c2)c(=O)n2c1CCC2 203461171 APQVDWRUBWGTRB-UHFFFAOYSA-N 363.388 4.054 0 3 FIAF Cc1ccc(OCc2nc3ncc(Br)cc3[nH]2)c(Cl)c1 5127699 YOMKGPZKCQJWCV-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2CC(CCCCC(=O)O)=C[C@@H]2C[C@H]1O 5820768 JANVYOZZTKSZGN-UXCWTUNMSA-N 350.499 4.072 0 1 FIAF C/C(=C\C(=O)O)c1ccc2c(C)cc(Oc3ccc(C(=N)N)cc3)nc2c1 13535195 TWRHMDJPLBCLMU-ZRDIBKRKSA-N 361.401 4.107 0 1 FIAF N=C(N)N(CCCCCCCCN1CCCC1)Cc1ccc(Cl)cc1 13809094 CUKXWMLXTIIQHF-UHFFFAOYSA-N 364.965 4.472 0 1 FIAF COc1cc(C(=O)O)ccc1COc1ccc(C(C)=O)c(O)c1C=C(C)C 27899640 VIYJGJWBKRLUBT-UHFFFAOYSA-N 370.401 4.304 0 1 FIAF O=C(Cc1ccccc1)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 27995229 YXSJXCFJLCDTEI-UHFFFAOYSA-N 372.376 4.314 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N(C)[C@@H](C)Cc2c[nH]c3ccccc23)c(C)c1 28820700 KLRXCMWYNMERGV-KRWDZBQOSA-N 370.518 4.345 0 1 FIAF O=C1N[C@@H]2CCCC[C@H]2N1C1CCN([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 34281875 RVFJUGFEQYVYCP-MIGBRYPXSA-N 359.558 4.146 0 1 FIAF COc1cccc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)c1 64232018 HHXLXZOTIOIDQY-GOSISDBHSA-N 368.433 4.000 0 1 FIAF CCOC(=O)c1c(C)oc2nc(Nc3ccccc3)nc(NC(C)C)c12 64512657 BGVUBSQDVZHXBL-UHFFFAOYSA-N 354.410 4.272 0 1 FIAF CCCSCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC 66101386 YJYKMZXCAHJTDF-UHFFFAOYSA-N 362.948 4.177 0 1 FIAF COc1cc([C@H]2CC(c3cccc4ccccc34)=NN2C(C)=O)ccc1O 66111651 DFERCXANASNSRJ-HXUWFJFHSA-N 360.413 4.252 0 1 FIAF COc1c(O)c(CC=C(C)C)c2oc(-c3ccccc3)cc(=O)c2c1O 69482230 MHZAQYFXGZQRQE-UHFFFAOYSA-N 352.386 4.389 0 1 FIAF biogenic,in-vitro N=C(N)c1ccc(-c2ccc3cc(-c4ccc(C(=N)N)cc4)[nH]c3c2)cc1 71294730 AXMNWOOVENPWID-UHFFFAOYSA-N 353.429 4.070 0 1 FIAF CCCCN(C(=O)c1ccc(OC)cc1)c1nnc(-c2cccnc2)s1 84617565 AIAHCDISJNPEOK-UHFFFAOYSA-N 368.462 4.056 0 1 FIAF Cc1cc(C(F)(F)F)cc(C)c1C(=O)C[C@H]1COCC[C@@H]1N1CCCC1 96170676 QOTORLJCOFSHAE-RDJZCZTQSA-N 369.427 4.396 0 1 FIAF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)nc1 96172885 QJRQYAQYNQQZJT-MRXNPFEDSA-N 368.477 4.221 0 1 FIAF Nc1nccn2c1c(-c1ccc(Oc3ccccc3)cc1)nc2[C@H]1C[C@@H](O)C1 100618441 SAFIVUCEBPHLEO-WKILWMFISA-N 372.428 4.009 0 1 FIAF COc1cc(-c2nc(Nc3ccccc3C)n(C)n2)ccc1-n1cnc(C)c1 114912132 WHQMAYDRXHCVRM-UHFFFAOYSA-N 374.448 4.037 0 1 FIAF Fc1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 117436173 QXPPFGDYXVBPPQ-UHFFFAOYSA-N 367.815 4.348 0 1 FIAF COc1ccc2c(c1)O[C@@H]1c3c(cc(O)c4c3OC(C)(C)C=C4)OC[C@H]21 135896458 CNRXSDYISSGRIY-KUHUBIRLSA-N 352.386 4.195 0 1 FIAF Cc1cc(O)c(-c2ccc(C[C@@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12 150147488 PKJUJTYYMYNCFT-GFCCVEGCSA-N 364.470 4.314 0 1 FIAF COC[C@H](COc1cccc2cnccc12)NCc1ccccc1Cl 169329846 PDOAUQHDHWTOPH-QGZVFWFLSA-N 356.853 4.072 0 1 FIAF O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 169330936 LHZGTDYRIFFIRQ-ZEQRLZLVSA-N 364.533 4.412 0 1 FIAF C[C@H]1CC[C@@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 169372230 SGGGMRQESKILIB-DUXKNNISSA-N 370.489 4.466 0 1 FIAF CC(C)[C@H](CO)NCc1nc(-c2cc(C(F)(F)F)ccc2F)ccc1F 204411060 IMMMELGIAWCIPK-KRWDZBQOSA-N 374.353 4.152 0 1 FIAF COc1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2cn1 586996586 RNHQXWOIMVIGEM-UHFFFAOYSA-N 362.227 4.043 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052506 CUEBRQNYPSGURW-UHFFFAOYSA-N 364.836 4.376 0 1 FIAF COc1cnc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1Cl 587064301 IOMMOXSVEWEMIN-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF Cc1noc([C@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)n1 587106007 JQEVAQXHUZLQSR-ZDUSSCGKSA-N 367.408 4.410 0 1 FIAF CN(C)CCOc1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131263 AYLPVWTULINWRH-UHFFFAOYSA-N 371.431 4.385 0 1 FIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Cl)nc2[nH]1)C(C)(C)C 587204814 LXVCLPVZUIYAKY-LLVKDONJSA-N 352.866 4.093 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(Br)c1)[C@@H](C2)C3=O 587416420 ASOQTDGDUBSKFB-KBXCAEBGSA-N 359.219 4.121 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1C)CC2=O 587482976 SSJPJMTWYFATIG-SFHVURJKSA-N 356.418 4.377 0 1 FIAF Cn1cc([C@H]2C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2(C)C)cn1 587518078 ZYIQGQRRBSSGIZ-XMSQKQJNSA-N 350.462 4.217 0 1 FIAF CC(=O)c1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587636841 LHDCLUUYGXQBHV-UHFFFAOYSA-N 358.191 4.498 0 1 FIAF Cc1cccn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 587775280 QJPLDWAKWGJFFV-PIGZYNQJSA-N 374.257 4.168 0 1 FIAF CCCC(=O)O[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790195 GIODADNUGGUBAI-WVQJBOLRSA-N 372.278 4.069 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C)NC(C)(C)C2)N1 587799099 WFWNDYZQECDTSC-NSHDSACASA-N 369.322 4.258 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCSCC2)N1 587857987 NRPVQQNREHZQKP-HWPZZCPQSA-N 358.320 4.481 0 1 FIAF CC[C@@]1(Cc2nc3cc4c(cc3[nH]2)OCCO4)CC(=O)c2ccccc2C1 587962329 XMSQMVRRVDPXEP-QFIPXVFZSA-N 362.429 4.102 0 1 FIAF Cc1ccc2nc(Nc3ncnc4c3cnn4-c3ccccc3)sc2c1 653765547 RCRXJDUUZDTUSY-UHFFFAOYSA-N 358.430 4.477 0 1 FIAF C=CC1=CO[C@]23CC[C@H]1[C@]2(C)CC[C@H]1[C@H]3CC[C@@]2(O)C[C@H](O)CC[C@]12C 2356536431 KIRLHPHUEPKCDT-SVIQMIQPSA-N 358.522 4.344 0 1 FIAF CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N[C@@H]1CCCc2ccccc21 6797105 BDJOIPMKECXLJN-LJQANCHMSA-N 366.486 4.135 0 1 FIAF CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)C(C)C)c2)cc1 27417527 XDXMLVQQDRDDBL-UHFFFAOYSA-N 374.506 4.432 0 1 FIAF CCCCc1nc2c(cc1-c1ccc(Cl)cc1)C(=O)[C@@H](N)C(=S)N2 28104656 AVLAMFLAKXOXNJ-OAHLLOKOSA-N 359.882 4.008 0 1 FIAF COc1cc2c(cc1OC)[C@H](C[C@@H](O)c1ccc(Cl)cc1)N(C)CC2 28524340 MSXJZHUTIDWQBZ-ZWKOTPCHSA-N 361.869 4.010 0 1 FIAF Cc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 28817110 BLRPVPKLIFBVIC-UHFFFAOYSA-N 372.407 4.318 0 1 FIAF CCc1c(Sc2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O 34034212 DXEHAYVNEFZGRQ-UHFFFAOYSA-N 372.534 4.447 0 1 FIAF Nc1cc(F)cc(-c2ccc(O)c(C(=O)[C@@H]3CCc4ccccc43)c2)c1O 35070252 VSEVSZZZZPLJHX-MRXNPFEDSA-N 363.388 4.399 0 1 FIAF C[C@H](C(=O)[C@H](C)c1cccc(Oc2ccccc2)c1)C(=O)N1CCCC1 36440512 UUPABTWOCOGHSN-IAGOWNOFSA-N 351.446 4.410 0 1 FIAF N[C@@H]1CCN(Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)C1 45210529 FNZXALCKTRJNGF-OAQYLSRUSA-N 368.484 4.430 0 1 FIAF Cc1ccccc1[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(C(N)=O)c1)C2 101366416 IQTXUDCVFFYTOM-ROPHOZQPSA-N 364.489 4.229 0 1 FIAF C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2ccncc2)CC1 169312132 IFDMWSXZMHMLQX-GOSISDBHSA-N 373.500 4.324 0 1 FIAF CCC(=O)N[C@H]1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21 205711041 ROSFTULUCXFQOL-INIZCTEOSA-N 352.331 4.420 0 1 FIAF CCCC[C@@](C)(O)C1=CC[C@@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@H]3C1 253687906 OULNYHNCKOSAJM-KAOXLYBCSA-N 355.522 4.168 0 1 FIAF Cc1c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905555 TZVNPVGGUFFPKS-LBPRGKRZSA-N 352.312 4.400 0 1 FIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586907349 LPJZDMQXDIYQAZ-MRVPVSSYSA-N 352.287 4.302 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cnc3ccccc3c2[nH]1 586962507 FQVYYAKJTAFGDK-AWEZNQCLSA-N 351.435 4.159 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587036980 QANJWDXQUZFREX-CQSZACIVSA-N 364.879 4.443 0 1 FIAF Cc1ccc2c(ccc3nc([C@H](CN)Cc4ccc(Cl)cc4)[nH]c32)n1 587071245 XZHXDKJSXAIYPN-AWEZNQCLSA-N 350.853 4.358 0 1 FIAF FC(F)COc1cccc(-c2nc3cc(Br)ccc3[nH]2)n1 587124876 PQGDRDWQBVGBCW-UHFFFAOYSA-N 354.154 4.031 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(OC(F)(F)F)c1)O2 587381170 CKAQSMWASCYAIW-CQSZACIVSA-N 355.287 4.321 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)COC(C)(C)O3)O2 587411467 JKZJPURIQNLPBD-OAQYLSRUSA-N 353.418 4.103 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C(C)C)([C@H](CC)C(=O)OCC)CC2=O 587477585 DBXQHLOADLWLFD-IIBYNOLFSA-N 362.466 4.294 0 1 FIAF CCCc1c(O)ccc2c1OC(c1ccccn1)(c1ccccn1)CC2=O 587492885 YGHAXDSDRHDGKU-UHFFFAOYSA-N 360.413 4.044 0 1 FIAF Cn1nc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(F)(F)F 587502502 ABPSISYWYMVPSS-GOSISDBHSA-N 364.367 4.198 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1Cl 587549256 RKCDOQRFDWXUHY-KXBFYZLASA-N 353.761 4.144 0 1 FIAF CC[C@@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586128 HKFBGSRERJJVGC-PGRDOPGGSA-N 361.397 4.363 0 1 FIAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587725857 SBYOKRCSBUMQSP-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCN(C)C)N1 587740443 JZOHJHPOWDJTPN-YVEFUNNKSA-N 357.311 4.070 0 1 FIAF CCC[C@@]1(C2CCNCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793768 LBOHXMCAJPXBHB-XIKOKIGWSA-N 369.322 4.117 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2C(C)(C)C)N1 587808369 ZDLVNXJAZVARIV-PSLIRLAXSA-N 366.278 4.232 0 1 FIAF Cc1cc(O)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587834808 SZJJRSRSOUEMOL-QGHHPUGFSA-N 350.231 4.226 0 1 FIAF CN1[C@H]2CC[C@H]1CC(Oc1ccc3cc(-c4ccoc4)c(=O)oc3c1)C2 653687633 NSUPPQWVJNTENF-HOTGVXAUSA-N 351.402 4.057 0 1 FIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](C)[C@@]23CCC(=CC(=O)O)O3)C1(C)C 2356571968 LLSQOJBRINBUMN-PGBNIQHZSA-N 364.482 4.308 0 1 FIAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3cc4ccoc4cc3O[C@@H]1CC2 2356573883 DDBGUFDZUZVINK-QRWLVFNGSA-N 350.370 4.124 0 1 FIAF COC(=O)C1=C2CCC3=C2[C@@]2(C1)[C@H]1[C@H]4CC[C@@]2(C)[C@@H](CC3)CN1C[C@@H]4C 2356816085 CXNYOLGASMNGBW-HMSMRJAZSA-N 353.506 4.097 0 1 FIAF CC[C@H](C)C=CC=C(C)C[C@H](C)C=CC=C[C@@H](O)[C@]1(C)CC(=O)C(=O)O1 2356865427 WKSOWWZVDAHHAD-CIBWYJFOSA-N 360.494 4.309 0 1 FIAF c1cncc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 36380623 OHKRWWVFAFGXJS-UHFFFAOYSA-N 356.385 4.033 0 3 FIAF COc1ccc(N(C(=O)c2ccc(F)cc2)C2=C[C@@H]3CC[C@H](C2)N3C)cc1 13154736 LHMXSGJHEUTTLE-RBUKOAKNSA-N 366.436 4.232 0 1 FIAF CC(C)=CCN1Cc2ccc(Br)c3nc(S)n(c23)C[C@@H]1C 13474556 DJSIOKGFGXTSPC-NSHDSACASA-N 366.328 4.258 0 1 FIAF COc1cccc2c(C[C@@H](C)NC[C@@H](O)c3cccc(Cl)c3)c[nH]c12 13488821 YJSBONOKYYPFLW-FZKQIMNGSA-N 358.869 4.084 0 1 FIAF COc1ccc(NC(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)cc1 13684830 NYPNVOJFYPOGKC-GOSISDBHSA-N 361.873 4.163 0 1 FIAF Cc1ccoc1CN(C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 28825437 BGECMWFZHVFBGB-DFNIBXOVSA-N 354.450 4.356 0 1 FIAF CC(C)Nc1cc(-c2[nH]c(SCCO)nc2-c2ccc(F)cc2)ccn1 40950523 CBARWUOICURKFE-UHFFFAOYSA-N 372.469 4.183 0 1 FIAF O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)c1ccc(F)cc1 64549478 CSDYBXLQWQTGIY-HXUWFJFHSA-N 355.315 4.096 0 1 FIAF CCN(CC)c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 82066927 FFHLJSSIBFICGQ-UHFFFAOYSA-N 371.485 4.263 0 1 FIAF CCCn1cc(-c2ccccc2)nc1[C@@H]1C[C@H]1c1nc2c(C)ncc(C)n2n1 96177993 IJCQEHMWMZVVTK-QZTJIDSGSA-N 372.476 4.286 0 1 FIAF CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(SC)S2 96938457 ZNXNWQZXZILWTH-GUYCJALGSA-N 366.508 4.075 0 1 FIAF CN(C)C[C@@H](CCSC(=O)c1ccccc1)SC(=O)c1ccccc1 98081901 LNVLBJJVCVGKTG-GOSISDBHSA-N 373.543 4.454 0 1 FIAF CCOC(=O)[C@]12C[C@]1(CCc1ccccc1)c1cc(Cl)ccc1NC2=O 101055636 CPIBELMJSWEDPO-NHCUHLMSSA-N 369.848 4.116 0 1 FIAF COc1ccc(-c2ccnc(SCc3ccc(C(=O)O)cc3)n2)cc1 102335002 CQRDOBPYDKJXMO-UHFFFAOYSA-N 352.415 4.143 0 1 FIAF COc1ccccc1N1C(=O)CS[C@@H]1c1ccc(Br)cc1 169342642 KQMQDVPTVWHTEG-MRXNPFEDSA-N 364.264 4.236 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586885544 VXUKTFONUGLFCF-UASCKYALSA-N 350.235 4.327 0 1 FIAF C[C@H]1CCc2sc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)cc2C1 587034341 SUJFQGWXYLXSPU-AWEZNQCLSA-N 366.534 4.168 0 1 FIAF COC(=O)c1cc(Br)c2[nH]c(C3(F)CCCCC3)nc2c1 587131596 PJINMAHYENFCAI-UHFFFAOYSA-N 355.207 4.241 0 1 FIAF O=C(c1ccccc1)c1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1 587134691 VMWNEAHCHYOVPV-UHFFFAOYSA-N 350.324 4.445 0 1 FIAF Cc1cccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 587173456 WDLNOHZGUJBCLU-UHFFFAOYSA-N 351.356 4.466 0 1 FIAF Oc1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183012 ABVLFNMMQPNFGK-BQYQJAHWSA-N 362.170 4.044 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)cc(OC)c1OC)[C@@H](C2)C3=O 587419255 KOMRAYPVQKKGAN-RBZFPXEDSA-N 374.820 4.029 0 1 FIAF CC[C@]1(c2cc(F)c(OC)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422501 DYHPVKPOPXCLQS-ZUOKHONESA-N 360.356 4.035 0 1 FIAF COc1ccc(-c2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2)cc1 587436995 WZZWULCZGOJEOE-UZUQRXQVSA-N 373.408 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCCO)(c1ccc(F)cc1)CC2=O 587466038 IKTJGJUQTQXBFV-OAQYLSRUSA-N 358.409 4.117 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3ccnc3)cc1)CC2=O 587470194 JDUXETWEEXRUAO-OAQYLSRUSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccccc1O)CC2=O 587484875 OJFWBMFJNIJBGG-ASSNKEHSSA-N 356.418 4.242 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1CCCC1)CC2=O 587485446 WOVZAHQXIGGWEZ-NRFANRHFSA-N 360.450 4.192 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC[C@@H]3CO3)c1)CC2=O 587494551 YRRXCANUJXGCRB-OPAMFIHVSA-N 368.429 4.003 0 1 FIAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1O 587501270 AZVPUNUPLWBZQA-OAQYLSRUSA-N 356.393 4.299 0 1 FIAF COC(=O)c1c(C)[nH]c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528358 XYLZACJKQMCDMT-QGZVFWFLSA-N 353.418 4.003 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cc(F)cc1F 587557059 LIEXGNCAGIGZIH-PXNSSMCTSA-N 370.307 4.079 0 1 FIAF Cc1cccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587586881 LAOUOFUKTVSRHR-DENIHFKCSA-N 361.397 4.059 0 1 FIAF O=C(O)CCC(=O)Nc1c(-c2ccccc2Cl)[nH]c2cc(F)ccc12 587632875 LTVWEMKODXQTMK-UHFFFAOYSA-N 360.772 4.431 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)ccc2F)N1 587725638 FSBDFODUGXACKO-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccccc2)N1 587797810 XGRWHHZEPUZPDF-SGTLLEGYSA-N 364.258 4.417 0 1 FIAF Cc1ccccc1C(=O)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587816113 UNYZXUGWLCPFLV-GTNSWQLSSA-N 362.242 4.355 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587822304 JUMOQEZXUPIJSA-MIUNTBIASA-N 368.290 4.487 0 1 FIAF Cc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850975 GZJDKEJKJQWUMT-PWJLMRLQSA-N 369.303 4.459 0 1 FIAF COc1ccc([C@H](c2ccccc2)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 587937160 NPCARCWHSDBTRY-LEWJYISDSA-N 372.428 4.475 0 1 FIAF CCCCOc1ccc([C@@]2(C)c3ccsc3CCN2C(N)=O)cc1OC 962716824 XVLRPQZUHKRBGB-FQEVSTJZSA-N 374.506 4.136 0 1 FIAF [C-]#[N+]c1ccc([C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962922325 PYFBXTKYEQTXIS-GMAHTHKFSA-N 372.399 4.267 0 1 FIAF Cc1cc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c2oc(N)nc2c1 963115295 VMYHETOOQGPSNU-QVKFZJNVSA-N 351.425 4.142 0 1 FIAF Oc1ccc2c(c1)[C@@H](c1ccc(C(F)(F)F)cc1Br)NCC2 963331274 YFRSMUZWMAWLIZ-OAHLLOKOSA-N 372.184 4.409 0 1 FIAF COC(=O)c1cc(-c2oc3c(Cl)cc(Cl)cc3c2C)n(C(=N)O)n1 1857617976 ZDJABOZXHBPQJY-UHFFFAOYSA-N 368.176 4.039 0 1 FIAF CC1=CCC2=C(C)[C@](O)(C(C)C)C[C@H]2[C@H](OC(=O)c2ccc(O)cc2)C1 2356500887 FSOJCBVIWZXKTJ-KCZVDYSFSA-N 356.462 4.381 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(CO)=CC[C@H]1C(C)(C)CCC[C@]12C 2356520797 ZGAUBBFDXXEMAC-DVWBAYGPSA-N 350.499 4.012 0 1 FIAF CN1CC[C@@H](N(Cc2c(F)cccc2Cl)c2ccc(N)c(Cl)c2)C1 2356705139 XBZXBFDUTPINGT-CYBMUJFWSA-N 368.283 4.425 0 1 FIAF CNC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1[C@H](C)CCC2 2382249411 ZDGOATQEDQKXLA-LLVKDONJSA-N 359.520 4.356 0 1 FIAF N[C@@H](c1ccccc1)c1csc(NC(=O)Nc2cccc(Cl)c2)n1 61898700 WJKRVXRPQBODIA-HNNXBMFYSA-N 358.854 4.489 0 3 FIAF CCNC(=O)[C@]1(C)CCCN(Cc2cccc(Oc3ccccc3)c2)C1 61907354 HOQBDSBKCJUYFH-JOCHJYFZSA-N 352.478 4.217 0 3 FIAF Cc1cccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c1 2468114 VWQMNMXWEDPEOK-UHFFFAOYSA-N 363.442 4.339 0 1 FIAF COc1cc2c(cc1O)O[C@@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@@H]21 14819657 CVUYVQZALVRDIK-YCRPNKLZSA-N 354.402 4.225 0 1 FIAF biogenic CO[C@H]1c2c(c3c(c4c(C)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@@H]1C 14930283 NEHHJJDJNPBYJK-XWCIJXRUSA-N 356.418 4.390 0 1 FIAF Cc1cccc(C)c1Nc1ncc(-c2ccc(C(=O)O)cc2)n2cncc12 28641377 WRXRGJHHVGMOKN-UHFFFAOYSA-N 358.401 4.455 0 1 FIAF O=C(Nc1n[nH]c(-c2ccccc2)n1)N1CCC2(C=Cc3ccccc32)CC1 32587097 JXXMNTULTHCATQ-UHFFFAOYSA-N 371.444 4.064 0 1 FIAF COCCO[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 35064226 DPSNOOUMCDGRBU-XMMPIXPASA-N 373.452 4.207 0 1 FIAF O=C(c1cccs1)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 35310408 PFVHJRXWVNVUQZ-ZDUSSCGKSA-N 359.838 4.429 0 1 FIAF Cc1cc2cc(CNCCc3ccccc3Br)ccc2nc1N 45191508 YIIBFRNHOLUPLR-UHFFFAOYSA-N 370.294 4.220 0 1 FIAF COc1ccc2c(c1)OC1=C(C(=O)OC1)[C@H]2c1cc(Cl)cc(Cl)c1 45484931 CBNCGFZJFJGGRN-INIZCTEOSA-N 363.196 4.337 0 1 FIAF Clc1ccc(N2CC[C@H]3CC[C@@H](C2)N3Cc2c[nH]c3ncccc23)cc1 58536462 UPZQTOBGZYRXMC-MOPGFXCFSA-N 366.896 4.460 0 1 FIAF COc1cccc(CCNc2cncc(Oc3ccc(F)cc3)n2)c1OC 82068654 SIHPLGQRDVUSNA-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF COc1cccc([C@@H](O)c2nnc(Nc3ccc(F)c(Cl)c3)s2)c1 82082990 HLJJMAUUMGHPFZ-CQSZACIVSA-N 365.817 4.165 0 1 FIAF CCCC[C@@]12C[C@@]1(C(=O)Nc1ccncc1)C(=O)Nc1ccc(Cl)cc12 100064273 LLFBNTRGWWURRB-VQTJNVASSA-N 369.852 4.144 0 1 FIAF CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1ccc(C)c(Cl)c1 102761145 DWIJJFUKYANERD-HNNXBMFYSA-N 360.870 4.381 0 1 FIAF Nc1[nH]nc(NCCc2c[nH]c3ccccc23)c1-c1nc2ccccc2s1 114398137 ZRHKDIZYIZJVCT-UHFFFAOYSA-N 374.473 4.405 0 1 FIAF Nc1ccc(-c2nc(-c3ccc4[nH]nc(-c5ccc(F)cc5)c4c3)n[nH]2)cc1 164821376 GRXLHGYRTQKNAZ-UHFFFAOYSA-N 370.391 4.403 0 1 FIAF O=CNc1cc(C(=O)O)cc(NCc2ccccc2)c1Oc1ccccc1 169343300 YLGMAERAXKVNCL-UHFFFAOYSA-N 362.385 4.358 0 1 FIAF C[C@H]1CCCN1[C@@H]1CC[C@H](c2ccc(NC(=O)C3CCOCC3)cc2)C1 204255865 XVOWWOXYQRLOIK-NBHGPNQESA-N 356.510 4.172 0 1 FIAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cccs1 299845047 GYMBYNUNONBMHS-AEFFLSMTSA-N 369.534 4.372 0 1 FIAF Cn1cc(-c2ccc(-c3cncc4ccc(-c5ncco5)nc34)cc2)cn1 584615988 LMFQBGMZWYWWAV-UHFFFAOYSA-N 353.385 4.352 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc1-2 586883450 JTPGIPHHFMKKQT-QTOGRPEHSA-N 356.779 4.445 0 1 FIAF Nc1ccc2c(c1)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586987702 RASXKAJGPUDDBW-UHFFFAOYSA-N 364.404 4.500 0 1 FIAF CC(C)Oc1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 587038878 BUNWUZUVMKLHBP-HNNXBMFYSA-N 363.483 4.333 0 1 FIAF FC(F)(F)c1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1 587077258 SYCWZIAQESBAMN-CYBMUJFWSA-N 366.730 4.247 0 1 FIAF COC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(F)(F)F 587103458 IIDIVOSTWVAGCL-KRWDZBQOSA-N 371.314 4.265 0 1 FIAF N[C@H](N=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195011 AQLDWALIICVZRY-JOCHJYFZSA-N 371.444 4.493 0 1 FIAF Cc1ccc(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1N 587250203 JWWJHNYHWMWQDO-UHFFFAOYSA-N 370.325 4.288 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)cc(Br)c1O)O2 587378159 SCYBNZMONPQWJE-OAHLLOKOSA-N 362.223 4.060 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C)cc1N)[C@@H](C2)C3=O 587433652 STGZXTZHYXMVMY-YADARESESA-N 371.436 4.277 0 1 FIAF C[C@@]1(CC(=O)N2CCCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587515266 RNJKRBGOGRQDFS-QFIPXVFZSA-N 355.478 4.082 0 1 FIAF COc1cc(OC)cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525547 PUIBAYRWQCLJFM-QFIPXVFZSA-N 352.430 4.463 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2ccccc12 587662044 WUQIBGPHKXDDJM-UHFFFAOYSA-N 368.371 4.135 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)cc(F)cc2F)N1 587720148 MSDFGFGLCXPKIQ-HYORBCNSSA-N 371.200 4.072 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3nccc-3c2)N1 587807508 XIJKCDLBJIPBMR-FVMDXXJSSA-N 360.230 4.040 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3sccc32)N1 587854538 CQDXPBGLRMRPNQ-ABKXIKBNSA-N 352.272 4.374 0 1 FIAF CCCCNC(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587866174 WZSRUSKEIYXBLK-UHFFFAOYSA-N 355.360 4.325 0 1 FIAF Cc1ccoc1C(=O)Nc1ccc(N2CCOc3ncccc32)c(Cl)c1 653740756 XULLEQBBAWYJLR-UHFFFAOYSA-N 369.808 4.419 0 1 FIAF Cc1ccnc2c1CCN[C@@]2(c1ccc(C2OCCO2)cc1)C1CCCC1 963072794 NZISWTSPYOHUIQ-HSZRJFAPSA-N 364.489 4.015 0 1 FIAF CCOC(=O)[C@@]12CCCC1=C[C@]1(C2)NCCc2c(Cl)cc(Cl)cc21 963103768 GOUOCXPJMDSGFL-RTBURBONSA-N 366.288 4.398 0 1 FIAF CC(C)(C)OC(=O)n1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)n1 963116025 BOUHXXGEGDLHTC-OAHLLOKOSA-N 368.264 4.208 0 1 FIAF COc1c(C(=O)Cc2ccc3c(c2)OCCO3)ccc2c1C=CC(C)(C)O2 1857644065 DDYAAUVMXDQVKO-UHFFFAOYSA-N 366.413 4.076 0 1 FIAF CC(=O)O[C@@H]1CC=C(C)C[C@H](O)[C@@H]2[C@H](C(C)(C)O)CC[C@]2(C)C=C[C@@H]1C 2356384111 LDLGSJAYMQJUJA-MZNRPPOFSA-N 364.526 4.015 0 1 FIAF CCOc1cc(-c2nc3c(C)cccn3c2NC[C@@H]2CCCO2)ccc1O 883891 VQSUUBUHENNWAL-INIZCTEOSA-N 367.449 4.005 0 3 FIAF O=C(NC1CCCC1)c1ccc(C[S@](=O)Cc2ccc(Cl)cc2)o1 6895782 NXYDAULGQQGKJZ-DEOSSOPVSA-N 365.882 4.054 0 3 FIAF COc1ccccc1[C@H]1C(c2cccc(C)c2)=NN(c2ccccc2)[C@@H]1CO 13813593 WLCPKXZWIYDVIY-FYYLOGMGSA-N 372.468 4.373 0 3 FIAF aggregator I/C=C/CN1CCC[C@@H]2c3ccccc3CC[C@H]21 13781525 YGGCIEJIKNJUCC-HDRDLZFGSA-N 353.247 4.130 0 1 FIAF COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1CC=C(C)C 14819486 KWZLIQOQDYHGPK-UHFFFAOYSA-N 352.386 4.389 0 1 FIAF biogenic CC1=CC[C@@H](C[C@H](O)c2ccccc2I)C(=O)CC1 26745270 UUAJNSLAOHKNRM-LRDDRELGSA-N 370.230 4.030 0 1 FIAF CC[C@@H](c1ccc(F)c(F)c1)n1c(C(=O)N2CCCC2)c[nH]c1=S 28338720 DBXSMDQMZJYINK-AWEZNQCLSA-N 351.422 4.059 0 1 FIAF Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(Cc1ccccc1)CC2 28570182 JQDCGBZGFDCDFI-INIZCTEOSA-N 368.477 4.044 0 1 FIAF O=C1NCCc2[nH]c(-c3ccnc(-c4ccc(C(F)(F)F)cc4)c3)cc21 28645478 IQFURFKRHVLOTG-UHFFFAOYSA-N 357.335 4.048 0 1 FIAF C1=C[C@H]2C(c3ccnc(Nc4ccccc4)n3)=C(c3ccccc3)NN2C=C1 28975997 SYJVSHJJQVAKBM-FQEVSTJZSA-N 365.440 4.361 0 1 FIAF CN(C(=O)Cc1cccc2ccsc12)[C@@H]1CCCC[C@H]1N1CCCC1 29392281 ZXJBAOCILPWUMV-RTBURBONSA-N 356.535 4.309 0 1 FIAF Cn1c(C(=O)c2ccc(Cl)cc2)cnc1CCCCN1CCCCC1 40919248 SJSVELJZBPKFCK-UHFFFAOYSA-N 359.901 4.113 0 1 FIAF O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccn1 59476636 VJFWRFGZHPTJHT-UHFFFAOYSA-N 351.793 4.240 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2cccc(C)c2)n1 82160102 FGOCALMHDXVTQC-INIZCTEOSA-N 352.482 4.289 0 1 FIAF Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C2=NC(=O)CS2)cc1 95577359 CKYMQKPEKCVHMI-IBGZPJMESA-N 363.486 4.392 0 1 FIAF O=C1[C@H]2[C@H]3S[C@@H](c4ccc5ccccc5c43)[C@H]2C(=O)N1c1ccccc1 101899906 ZFPGOEXUFNQOHD-YRPNKDGESA-N 357.434 4.488 0 1 FIAF CC(=O)O[C@@H]1C/C(C)=C/[C@H](O)C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 103129301 VUXOPRKKIFEKKX-OXTNECEWSA-N 364.526 4.015 0 1 FIAF c1cc(-c2nocc2C2CC2)cc(Nc2ccc(N3CCOCC3)cc2)n1 103237326 SCZZQTKTFQIQPX-UHFFFAOYSA-N 362.433 4.194 0 1 FIAF C[C@]1(c2cccc(N[C@H]3CCc4cc(Cl)ccc43)c2)COCC(N)=N1 142996006 BIQLWJAOBRCFDO-AZUAARDMSA-N 355.869 4.042 0 1 FIAF Cc1cc(-c2cc(F)ccc2C(=O)O)nc([C@@H]2CCCCN2C(C)C)n1 299851038 UWIARFWMPUVZBM-SFHVURJKSA-N 357.429 4.225 0 1 FIAF COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC=C(C)C4=C[C@@H]32)cc1 504699677 HSKOMYSWFSXSNI-XZYOPWHXSA-N 367.489 4.019 0 1 FIAF biogenic N=c1[nH]c(-c2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cs1 587021005 GKTCLMZWAOUJEO-UHFFFAOYSA-N 362.245 4.468 0 1 FIAF CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)ccc1OC(F)F 587131185 WBAZZINLAMDLLX-XQRVVYSFSA-N 374.343 4.462 0 1 FIAF CC(C)COc1cc2nc([C@@H](N)C(C)(C)C)[nH]c2cc1Br 587257933 RHVCEMBNQDKXGB-CQSZACIVSA-N 354.292 4.406 0 1 FIAF C[C@]1(C[C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358081 PICNYKJCYBOCKF-YIILKADPSA-N 356.393 4.076 0 1 FIAF COc1cccc(-c2cc(CS(C)(=O)=O)nc3c2oc2ccccc23)c1 587365458 MGJWQSKJKJMMCW-UHFFFAOYSA-N 367.426 4.201 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sccc1Br)O2 587409078 GDRCKOVRLJSFHY-OAHLLOKOSA-N 352.253 4.282 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)c4cc(OC)ccc41)[C@@H](C2)C3=O 587441006 DMUYHABOZAPKJB-JTSKRJEESA-N 350.414 4.028 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1nc(Cl)cnc1Cl)CC2=O 587462778 SRVMFEMRRXSROA-GFCCVEGCSA-N 353.205 4.148 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1C[C@H]1CCCO1)CC2=O 587471519 SONPKFUDWYXZQI-JLTOFOAXSA-N 355.434 4.032 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(F)cc1)CC2=O 587472416 PYCCWZIFKZWKTF-NRFANRHFSA-N 371.408 4.237 0 1 FIAF CCCC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587482501 OUIHXOVANFQMRL-IERDGZPVSA-N 362.466 4.438 0 1 FIAF COC(=O)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499399 ISLIJPGAHLCEFO-OAQYLSRUSA-N 370.832 4.253 0 1 FIAF O=C1C[C@](c2ccc(F)cc2)(c2cnccn2)Oc2c1ccc1c2CCCC1 587502394 CENZDKMQAQQPHJ-QHCPKHFHSA-N 374.415 4.404 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)c(F)c2)N1 587726821 LCLAIXSYQJAKIJ-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(F)cc2F)N1 587727293 NMGXEIATKGOQES-PWJLMRLQSA-N 371.200 4.059 0 1 FIAF COc1cccc(C)c1-c1nc2c(Br)cnc(Cl)c2[nH]1 587785656 DXONJPWEWIKINN-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF COc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587804560 BGORJCRYXJFFIO-BTDLBPIBSA-N 350.231 4.220 0 1 FIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587820530 DPCBKEOTLJQHGT-BTDLBPIBSA-N 350.231 4.226 0 1 FIAF COc1cccc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873572 HQXKRVIVODIXMZ-LLVKDONJSA-N 354.337 3.911 0 1 FIAF COc1ccc([C@H](c2ccccc2)c2nc3cccc(C(=O)O)c3[nH]2)cc1 587934173 BUIVTXCVWZJYRJ-IBGZPJMESA-N 358.397 4.450 0 1 FIAF COc1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(F)c1 962722456 XGZJZMRTEHEJKF-RNODOKPDSA-N 361.457 4.426 0 1 FIAF Cc1ccc2cc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)ccc2n1 962759515 BTHQCIIOKVGJQX-RTBURBONSA-N 370.374 4.278 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2nc3cc(F)c(F)cc3[nH]2)N1 962947475 NNABZEFLXGVANP-DGIBIBHMSA-N 352.388 4.336 0 1 FIAF Cc1cc(C)c2c(C)c(C(=O)NCc3ccc4c(c3)CCO4)sc2n1 1857606229 YVWOOGKWTAHZLP-UHFFFAOYSA-N 352.459 4.086 0 1 FIAF COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C 2356639125 FQTXLEJDKGILIT-MSBWEVJISA-N 372.505 4.454 0 1 FIAF C[C@@H](O)CC=CCCCCCCCCC=CC(=O)NCCCCC(=O)O 2356430571 OFAIMODNBSGXLZ-LJQANCHMSA-N 367.530 4.362 0 1 FIAF CCOC[C@@H]1C(=O)NC(=O)C(CC)=C1Sc1cc(Cl)cc(Cl)c1 102805446 IQBKCXKFTQNEJD-ZDUSSCGKSA-N 374.289 4.059 0 1 FIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccc(OC)cc3)cc2)C[C@H]2CC[C@H]1N2C 100862054 IHKXUTSLFDCINU-FVTFTPSCSA-N 365.473 4.102 0 1 FIAF O=C1Nc2ccccc2C(=O)N2C=C(c3ccc(Cl)c(Cl)c3)C[C@@H]12 28714147 CBVUKOSHQJRCAM-INIZCTEOSA-N 359.212 4.201 0 1 FIAF CCSc1nc2n(n1)[C@H](c1ccncc1)C1=C(O)CC(C)(C)CC1=N2 103669344 KBPSFQNQYQIZMG-OAHLLOKOSA-N 355.467 4.093 0 1 FIAF O=C(Nc1ccc(F)cc1)[C@H]1C(=O)N2c3ccccc3CCc3cccc1c32 100658513 UHFWUSNPOWCNRQ-FQEVSTJZSA-N 372.399 4.325 0 1 FIAF CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccs3)oc2C)CC1 61905827 GKIVNAUAPWUUJN-AWEZNQCLSA-N 361.463 4.122 0 3 FIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C(=O)OC)[C@]2(C)CCc1ccoc1 12153610 UKLZKUFVLXPLCP-JZZBYWGLSA-N 374.477 4.317 0 1 FIAF biogenic O=C(NCC1CCNCC1)c1c(Cl)cccc1-c1cccc(Cl)c1 49036137 OHCVWYZKRLFLLK-UHFFFAOYSA-N 363.288 4.390 0 1 FIAF CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2C[C@H]1CCCO1 82186576 KUKCMGGICSEYHU-OAHLLOKOSA-N 369.469 4.176 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 82214721 MVJAVIVNGMSDCN-IXDOHACOSA-N 366.509 4.472 0 1 FIAF CC[C@H](C)COc1ccc([C@H](CN)NC(=O)[C@H]2C[C@@H]2c2cccs2)cc1 141415506 MFWWFUZDDJNZBT-QZHFEQFPSA-N 372.534 4.093 0 1 FIAF CCOC(=O)c1c(Sc2ccc(C)cc2)c2ccccc2n(C)c1=O 95771542 JLMOIARVJDCIKJ-UHFFFAOYSA-N 353.443 4.175 0 1 FIAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@@]12C 238770391 WUDCXBJIWCDVSH-KVHZTHDNSA-N 364.526 4.016 0 1 FIAF CC[P@@](=O)(OC)c1ccc2oc(-c3cncc(C(F)F)c3)nc2c1 2382236715 VNJVSYDFARJCBK-XMMPIXPASA-N 352.277 4.397 0 1 FIAF COc1c(F)ccc(F)c1-c1nc2ccc(Br)c(F)c2[nH]1 587132343 BXCSPIFEXKCONR-UHFFFAOYSA-N 357.129 4.418 0 1 FIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccnc2[nH]1 587035694 YHANJMOCVAACJF-CYBMUJFWSA-N 350.447 4.444 0 1 FIAF COc1cc(F)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587733660 RRCMRAPLYHGLLG-HUTHGQBESA-N 368.221 4.360 0 1 FIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C 587754372 YGLOFPOGDHZZPJ-XYZCENFISA-N 351.263 4.167 0 1 FIAF COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587524948 NQVFLSYKDVPTLP-FQEVSTJZSA-N 366.413 4.067 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2ccn3C)N1 587758606 QYGRLTBTRXGNNQ-VOJFVSQTSA-N 363.274 4.041 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(F)cc1O 587559605 XVCUYHSVFHOVED-PXNSSMCTSA-N 370.307 4.079 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccc(F)cc4)n1)[C@@H](C2)C3=O 587427981 KRRSOVHFFBEOTL-KSFYIVLOSA-N 361.372 4.385 0 1 FIAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc1C 587619276 WTYJBBLZQOZNSG-GHTZIAJQSA-N 350.370 4.479 0 1 FIAF Oc1nc(O)c2ccc(-c3ccc(-c4ccc(Cl)cc4)s3)nc2n1 587564870 YEMSPTFWUZCQCS-UHFFFAOYSA-N 355.806 4.485 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cccc(O)c12 587586725 DDWRIFCJXFHRJM-DENIHFKCSA-N 373.364 4.282 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Br)ccc2C[C@H]1C 587371590 LAGOMTLHSQYANR-WYRIXSBYSA-N 372.262 4.393 0 1 FIAF CCc1cccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587935 OSCASWFPRUHIOH-AVRDEDQJSA-N 361.397 4.227 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccnc23)N1 587801450 GMDJOCVOUHHQGL-XYZCENFISA-N 360.230 4.088 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ccc(Cl)cc3)CC1)O2 587380062 PALJQWBHJJWFME-UHFFFAOYSA-N 370.880 4.231 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3nccc-3c2)N1 587800112 AAVDEOMEGGKXGN-XTZNXHDOSA-N 374.257 4.214 0 1 FIAF O[C@@H]1C[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)c2ccccc21 586905030 XMMHRXUXZBNOQM-BXKDBHETSA-N 365.177 4.173 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ccnc(C(F)(F)F)c13)O2 587383891 WYSVCOZSWMEGFM-CQSZACIVSA-N 361.323 4.179 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)c3ccccc32)N1 587766857 HODVRMSURWLGKK-BLVKFPJESA-N 373.269 4.330 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccnc3[nH]2)N1 587801613 HJJUNQGWUDFDQR-JDNHERCYSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)CC(C)(C)C[C@H]2C 587818432 DDLLFGDJAJLFNS-PJYBLOJUSA-N 368.290 4.343 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N1CCCC[C@@H]1CC)CC2=O 587477498 RMCMWUCIOJGNJG-OYHNWAKOSA-N 373.493 4.250 0 1 FIAF Cc1ccc([C@@]2(C)NCCc3nc4ccccn4c32)c(F)c1C(F)(F)F 962992116 XTOGVYZXURFXAT-GOSISDBHSA-N 363.358 4.210 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(OC)cc2)(c2ncc[nH]2)N1 962958019 ZUPGDGUCGUCSAZ-QMHKHESXSA-N 372.472 4.116 0 1 FIAF CN(C)C[C@H](c1ccc(OC(=O)c2ccccc2)cc1)C1(O)CCCCC1 34845622 LJFGPSMWRMHOSM-OAQYLSRUSA-N 367.489 4.246 0 1 FIAF O[C@@]1(c2ccc(Cl)cc2)c2cccc(-c3ccccc3)c2C2=NCCN21 13491103 JRNGIVHBMLVCBM-QFIPXVFZSA-N 360.844 4.276 0 1 FIAF COc1ccc([C@@](O)(c2cccnc2)c2cc3ccc(OC)cc3o2)cc1 13680610 DNPOZLKMPCEZQH-JOCHJYFZSA-N 361.397 4.129 0 1 FIAF CC(C)c1ccc(CN(C)C(=O)N2C(=O)C[C@@H]2Cc2ccccc2)cc1 13780498 AGVDLPDVHOWFGT-FQEVSTJZSA-N 350.462 4.205 0 1 FIAF COc1ccc(CN=c2[nH]nc(Cl)c3ccc(C(F)(F)F)cc23)cc1 1857592939 MPINHSCEKVSVTB-UHFFFAOYSA-N 367.758 4.345 0 1 FIAF O=C1c2cccc3cccc(c23)C(=O)N1CCc1ncc(-c2ccccc2)[nH]1 1857599929 GZWDIVWVUGZBKD-UHFFFAOYSA-N 367.408 4.069 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)C[C@@H](O)C3=C(C)C[C@@H](O3)[C@H]12 1857742307 JTCFLJZDNRVMOS-BJTZHDJXSA-N 362.510 4.380 0 1 FIAF CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]2C(C)=O)[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@@H]12 2116487 ZZLUZIDJVCYWKL-VHAKLTTHSA-N 374.521 4.345 0 1 FIAF biogenic CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OCCNCCOC(=O)Nc1ccccc1)C2 13146627 LBEOWKDSFZCIPA-MMOPVJDHSA-N 360.498 4.056 0 1 FIAF COc1ccccc1N1CCN(CCCCCC(=O)c2ccccc2)CC1 13493241 UIEFMIQLJZLXNN-UHFFFAOYSA-N 366.505 4.261 0 1 FIAF COc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)ccc1O 14961815 GYPHGCGOSZJXOT-UHFFFAOYSA-N 356.385 4.487 0 1 FIAF in-vivo Cc1nc(-c2ccncc2)ncc1[C@@H](C)NCc1ccc(Cl)c(F)c1 14975886 JMRGOSKUVHAMJK-GFCCVEGCSA-N 356.832 4.490 0 1 FIAF CCCC(=O)N[C@@]1(c2ccccc2)C2=NCC(C)(C)CN2c2ccccc21 34741341 JPAAZMHUVOEQFR-HSZRJFAPSA-N 361.489 4.105 0 1 FIAF CCN(CC)CC(CN(CC)CC)Oc1ccnc2cc(Cl)ccc12 40424047 IXHNJRUQGMCSHF-UHFFFAOYSA-N 363.933 4.319 0 1 FIAF O=C1CC2(N3CCCC3)C[C@@H](c3ccccc3)C(N1)[C@@H](c1ccccc1)C2 40753120 JQAFGLIAXMGYMK-MNZGCLKASA-N 360.501 4.071 0 1 FIAF COc1ccc([C@@H]2Nc3cccc(O)c3C(=O)N2Cc2ccccc2)cc1 66156517 VJEKXCOOSXEYGY-OAQYLSRUSA-N 360.413 4.168 0 1 FIAF COc1ccc(Cc2nccc3cc(OCCF)c(OC)cc23)cc1C 72104705 PGWLSDVVCCFQDK-UHFFFAOYSA-N 355.409 4.500 0 1 FIAF C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)c(-c2ccc(C(=O)O)cc2)c1 72107888 WROFRVATIQLXLH-SCLBCKFNSA-N 366.413 4.152 0 1 FIAF O=C1[C@@H]([C@@H](O)c2ccccc2C(F)(F)F)CCCN1Cc1ccccc1 103282500 RXBYDWNULXSQJL-AEFFLSMTSA-N 363.379 4.178 0 1 FIAF CCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc1Cl 116229454 LQTSHDRHSARGHD-UHFFFAOYSA-N 372.179 4.482 0 1 FIAF N#Cc1cnc(SCc2cccc(C(=O)O)c2)c(C#N)c1-c1ccccc1 139907278 NIEOZFINVHWHCA-UHFFFAOYSA-N 371.421 4.482 0 1 FIAF O=N[C@H]1CCc2cc(-c3cn(C4CCNCC4)nc3-c3ccncc3)ccc21 169686129 RCDPVKCEMFLESQ-NRFANRHFSA-N 373.460 4.290 0 1 FIAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCCc2nc(N)sc21 220875911 JIRYTTRFYHXWKL-SNVBAGLBSA-N 370.305 4.077 0 1 FIAF COc1ccc(-c2cn3nc(-c4ccccc4)c(CN(C)C)c3n2C)cc1 248072213 AZDYYYMXQGJAEF-UHFFFAOYSA-N 360.461 4.077 0 1 FIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)ncnc4[nH]3)c21 587031514 SHXMGVYBAVXQNO-JTQLQIEISA-N 351.435 4.018 0 1 FIAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1cccnc1 587104717 VHRPGVNSNIUPJV-UHFFFAOYSA-N 365.392 4.022 0 1 FIAF Cc1c(Br)ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c12 587251187 BECHIGXIKZIOJZ-UHFFFAOYSA-N 358.239 4.032 0 1 FIAF CN(C)/C=C/[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338521 QHUXAYXGINDSAO-IDEPHGCFSA-N 367.420 4.114 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(F)cc2CCc2ncccc21 587385546 UANHZCQEESMRTL-HSZRJFAPSA-N 374.415 4.119 0 1 FIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4ccc(N)cc41)[C@@H](C2)C3=O 587434314 SQVYMOBBGBKJAV-SBUREZEXSA-N 371.392 4.074 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(Oc4ccccn4)c1)[C@@H](C2)C3=O 587436084 NHGGNCWTYVPICZ-HTAPYJJXSA-N 359.381 4.371 0 1 FIAF COc1c(F)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555890 HPGNGZNADYYPEZ-UTKZUKDTSA-N 366.344 4.243 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Cl)n1 587608885 AIKAGYHUHFJJPH-XJKSGUPXSA-N 359.790 4.205 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2N)N1 587726656 KDZRXMBXRHYFBZ-XLFHBGCDSA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC(=O)C2CC2)N1 587815596 NXPXDZFCLZNHEE-QFYYESIMSA-N 354.263 4.313 0 1 FIAF CN(C)CCOc1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587952055 XLFIQYAFUNQOBV-UHFFFAOYSA-N 351.450 4.102 0 1 FIAF CN(C)Cc1cccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961617073 SWVGFMJKNJNEAU-LJQANCHMSA-N 371.322 4.278 0 1 FIAF Cc1ccc([C@]2(c3ccc(Cl)cc3)NCCc3ccc(O)cc32)cn1 963329790 UHZNJGKSRRXHRL-NRFANRHFSA-N 350.849 4.187 0 1 FIAF CC(C)Cc1nn(-c2cccc(F)c2)cc1C(=O)NCc1ccccc1 1772593227 WKPPUJQBYHESAW-UHFFFAOYSA-N 351.425 4.140 0 1 FIAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@]1(COC(=O)O1)C3 2356739043 WIYJSBIUVLCAHT-RXKCZQJNSA-N 362.466 4.390 0 1 FIAF Cc1cc(C)c(NC(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)c(C)c1 1359199 XULSGESQHBAQDL-GOSISDBHSA-N 357.498 4.057 0 3 FIAF COC(=O)c1cccc(C)c1[C@H]1CN=N[C@]12Cc1cc(C)cc(C)c1C2=O 5539664 JLDKIRQNTVTZJM-VGOFRKELSA-N 362.429 4.126 0 1 FIAF Cc1ccsc1CN1CCc2nc(Nc3ccccc3F)ncc2C1 21639699 VWWLCQBCCNUOJQ-UHFFFAOYSA-N 354.454 4.288 0 1 FIAF O=C(NC[C@@H]1CCCO1)c1cc(-c2ccccc2)c(N2CCCCC2)s1 21894375 VCJGRFFANASWRJ-KRWDZBQOSA-N 370.518 4.314 0 1 FIAF O=C1NC(=O)/C(=C/c2ccc(OCCn3ccc4ccccc43)cc2)S1 29347223 MZKMQFJQCKWJRD-AQTBWJFISA-N 364.426 4.044 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2Cc1ccccc1 36093302 AOTHPBKOMYVVMW-CGXNFDGLSA-N 353.437 4.135 0 1 FIAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](n1ccnc1)S(=O)(=O)C(C)(C)C 45365844 LEBRSRSANYGCEZ-CVEARBPZSA-N 370.902 4.026 0 1 FIAF O=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1Cl 49034442 UHWGQKZOAQFOIU-UHFFFAOYSA-N 363.288 4.390 0 1 FIAF CCOC(=O)c1cnn2c(NC(C)(C)C)c(-c3ccc(Cl)cc3)[nH]c12 73160415 FEZINBCOMVMBQH-UHFFFAOYSA-N 360.845 4.370 0 1 FIAF CN1CCC[C@H]1CCN1CCCc2cc(NC(=N)c3cccs3)ccc21 73168502 KEMKYEAYSRVURD-SFHVURJKSA-N 368.550 4.422 0 1 FIAF Nc1ccnc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1 84633005 VFBZQFVDFIBXGZ-UHFFFAOYSA-N 362.311 4.493 0 1 FIAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]ccc34)n(C3CC3)c(=O)c12 88345950 XQBUHTFFVHPRHZ-ZDUSSCGKSA-N 359.433 4.089 0 1 FIAF Oc1ccc(C(=S)Nc2ccc(OCc3ccccc3)cc2)c(O)c1 103197619 PGCMTQQADUGOED-UHFFFAOYSA-N 351.427 4.464 0 1 FIAF O=C(Cc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1 117384813 ZVQXUHMGCNNPGQ-UHFFFAOYSA-N 374.375 4.119 0 1 FIAF O=C(OC[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccs1)c1ccccc1 169359706 SPPHJQRBMCMDGZ-XJTYSDDVSA-N 365.498 4.471 0 1 FIAF CCC(=O)N[C@@H]1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21 205713483 DBUUHHKKKNUIPG-MRXNPFEDSA-N 352.331 4.420 0 1 FIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CC3)c2cn1)c1ccc(Cl)cc1 261176330 UXVWGFDNJMDWGP-SNVBAGLBSA-N 355.829 4.371 0 1 FIAF Brc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587040886 IWDYKLAEMGMXMR-HOTGVXAUSA-N 374.307 4.272 0 1 FIAF c1ccc(C2SCCS2)c(OCc2nc3cc4cn[nH]c4cc3[nH]2)c1 587043752 MHOVBVZBNSOLRR-UHFFFAOYSA-N 368.487 4.497 0 1 FIAF COc1cc(-c2nc3c(Cl)ncnc3[nH]2)cc(Cl)c1OCC(C)C 587046431 UJEDVMKVJIGCJZ-UHFFFAOYSA-N 367.236 4.370 0 1 FIAF Oc1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(Cl)c1 587053830 GZPPQFFWXHGTOG-UHFFFAOYSA-N 359.010 4.400 0 1 FIAF COc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Cl 587077549 WCUPFDAKAHRJHT-INIZCTEOSA-N 362.216 4.495 0 1 FIAF CC(C)CCOc1cc2nc([C@@H](N)[C@H](C)F)[nH]c2cc1Br 587126240 VZVABRGQIFOYQP-XPTSAGLGSA-N 358.255 4.108 0 1 FIAF O=C(/C=C/c1nc2cccc(OC(F)(F)F)c2[nH]1)Nc1ccc(F)cc1 587166976 LQXXDXDIFWCWIB-CMDGGOBGSA-N 365.286 4.253 0 1 FIAF COCC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350922 SPNNSWCJDHJXRJ-LVWPNOBMSA-N 370.420 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1c(C)cccc1Cl)O2 587374669 ITDORHWPGQXLCB-HXUWFJFHSA-N 372.852 4.292 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1Br)O2 587384619 GIBMPWXQWDDEIO-HNNXBMFYSA-N 350.187 4.185 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC=C(NNc3ccc(F)cc3)C1)O2 587386349 XONRMAWOKRHGSL-NRFANRHFSA-N 367.424 4.105 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccncc3)cc1)O2 587394094 CLIVCXGZBLBDOJ-OAQYLSRUSA-N 360.413 4.258 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cnc(C(F)(F)F)cc1C)[C@@H](C2)C3=O 587419446 CEVKBSVNIQMZIS-SGTLLEGYSA-N 363.335 4.080 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)NCC)CC2=O 587472147 XPFIRGABSJFALJ-NYHFZMIOSA-N 353.462 4.203 0 1 FIAF CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587529296 NDUUWYMZMARYRQ-JPEVHGAISA-N 356.462 4.426 0 1 FIAF CC(C)(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]n1 587593926 JLCTXWIGBFDNOH-XLIONFOSSA-N 364.401 4.116 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1(c2ccccc2)CC1 587604570 WVJXRJSQUUDURB-UGKGYDQZSA-N 358.393 4.454 0 1 FIAF CC1(C)CC2(CC(C)(C)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587618899 VIEUMFXXVNWMFS-QGZVFWFLSA-N 368.429 4.460 0 1 FIAF O=C(c1ccc(-c2ccccc2)cc1)n1ncc2ccc(Cl)cc2c1=O 587652425 RRELCPCPGMNQPK-UHFFFAOYSA-N 360.800 4.405 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccnc23)N1 587808585 ZSBUMXNLKFBZSY-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF CCc1cc(O)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587835440 WMKVITVKXYGNDY-YPMLDQLKSA-N 364.258 4.480 0 1 FIAF CO[C@@H](C)COC1CCC(c2nc3cc(Cl)nc(Cl)c3[nH]2)CC1 587950745 CGXBEGFIRDDCEI-WHXUTIOJSA-N 358.269 4.342 0 1 FIAF C=CC(=O)Nc1cccc(N=c2[nH]c(Nc3ccccc3)ncc2Cl)c1 621431644 SLKFAKHADUAFCQ-UHFFFAOYSA-N 365.824 4.164 0 1 FIAF Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31NC[C@H]2CC(=O)N(C)c3cccc1c32 963031639 RESJYJDLPCNRSM-MYYSRTQBSA-N 371.484 4.110 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c(-n2ccnc2)nc2ccccn12 963232294 RHXVCGRQQAQLKN-DYESRHJHSA-N 371.488 4.266 0 1 FIAF O=C1OC[C@H](Cc2ccccc2)[C@H]1Cc1ccccc1OC(F)(F)F 1772640736 VZHWOTDJMSOCLH-JKSUJKDBSA-N 350.336 4.160 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2CC=C(C)C3=CC[C@H]4[C@H](OC(C)=O)C[C@H]1[C@H]2[C@@H]34 2356474612 YNTWKKJWHMCMFN-LLKLHEPJSA-N 358.478 4.054 0 1 FIAF CCc1cc(=O)c2ccc(OC)c(COC(=O)/C=C/c3ccccc3)c2o1 2382254741 OZEPKWSOQRPCNI-FMIVXFBMSA-N 364.397 4.121 0 1 FIAF Cn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(=O)oc3ccccc3c21 5004940 NRJSJTLKTGBDNP-UHFFFAOYSA-N 370.767 4.330 0 1 FIAF CC(C)(C)OC(=O)N1C[C@H](O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 5714067 YNCJNOIKMJWBMP-CEXWTWQISA-N 355.434 4.055 0 1 FIAF O=C1C[C@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21 12356173 KOJOODSKKCAJQB-AWEZNQCLSA-N 371.477 4.227 0 1 FIAF CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c(C[C@@H]2OC2(C)C)c1O 13434911 PRFYQPIRUTZKDO-WFASDCNBSA-N 362.466 4.261 0 1 FIAF biogenic Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1 13672074 AMXKVGAJMUQALJ-UHFFFAOYSA-N 373.460 4.086 0 1 FIAF COC(=O)C[C@H]1Oc2ccccc2-n2cc(-c3ccc(Cl)cc3)nc21 13828442 FSOALHYQKWHNFI-QGZVFWFLSA-N 354.793 4.189 0 1 FIAF O[C@@](CN1CCCC1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 26844410 FWXGGSLWJRYADG-HSZRJFAPSA-N 362.448 4.219 0 1 FIAF COc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2)c2cccs2)cc1 34170608 GYNHAIBLOSNANQ-GOSISDBHSA-N 367.426 4.294 0 1 FIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)C[C@@H]2CC[C@H]1N2C 36271624 VMRNKEYMTOGQHV-UWHLTILDSA-N 353.437 4.232 0 1 FIAF CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)N[C@@](C)(CC[C@@H]21)C3 40891866 YWBPUBDKFRYOFK-RHSMJXSCSA-N 361.526 4.221 0 1 FIAF Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1 40951362 XCUXAMZFZYDIPS-UHFFFAOYSA-N 358.275 4.333 0 1 FIAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccn2)c1 42963074 YJUZCFNGIHEGED-UHFFFAOYSA-N 350.466 4.253 0 1 FIAF Cc1cc(C(N)=O)nn1-c1cccc(-c2cc(F)ccc2C(F)(F)F)c1 58591579 NYLPSTBCYUNOKE-UHFFFAOYSA-N 363.314 4.105 0 1 FIAF CN1CCN(c2ccc(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CC1 64559293 USPSSAUXBPWGIY-WOJBJXKFSA-N 354.881 4.078 0 1 FIAF Nc1cncc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1 84617490 YBPKUYHMTYRITD-UHFFFAOYSA-N 362.311 4.493 0 1 FIAF COc1ccc([C@H]2CC(=O)c3c(cc4c(c3O)C=CC(C)(C)O4)C2)cc1O 95587772 GXTIFVOSKSLTKY-CYBMUJFWSA-N 366.413 4.203 0 1 FIAF biogenic O=C1c2sc(OCc3ccccc3)nc2CCN1c1ccc(F)cc1 96283908 ZYFKTOSKEONTMC-UHFFFAOYSA-N 354.406 4.064 0 1 FIAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccccc2)s1 100969793 KMHHAGQMYNMKGL-HEYZEIRPSA-N 365.498 4.454 0 1 FIAF CC[C@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@H]2CC[C@H](C1)N2C 103001039 HRZJJXGXZVSRIB-CPUCHLNUSA-N 353.915 4.379 0 1 FIAF O[C@H]1CCC[C@@H](c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139349885 UMTVKOCJSLGBPV-WBVHZDCISA-N 362.433 4.426 0 1 FIAF CC(=O)c1cc(-c2cnn(C)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 143506181 ZVLCEJHYINVBRS-IBGZPJMESA-N 372.346 4.068 0 1 FIAF OCCOc1cc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)ccc1O 167165463 ALIUOTDYIANSBJ-UXBLZVDNSA-N 372.424 4.477 0 1 FIAF CC(=O)Oc1ccc2c(c1)[C@@]1(c3ccc(Cl)cc3)CCN(C#N)[C@@H](C2)C1 169320493 LPIAOSGAVORVJK-RXVVDRJESA-N 366.848 4.053 0 1 FIAF CCc1cnc(-n2nc(OC(C)C)c(Cc3cccc(F)c3)c2C)nc1 299864365 MHPOLMSDNMSBLH-UHFFFAOYSA-N 354.429 4.050 0 1 FIAF Fc1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586999356 YHAKZGBMCQOQGQ-SNAWJCMRSA-N 361.170 4.364 0 1 FIAF Cc1c(Br)cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1C 587151106 QCPTYMWJUKTCJS-AWEZNQCLSA-N 366.209 4.269 0 1 FIAF O=C(O)c1ncsc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208163 MMOKMHYQRVYXRT-UHFFFAOYSA-N 358.378 4.268 0 1 FIAF Nc1ccc2oc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cc2c1 587251811 NBIFYRRUPKAKJH-UHFFFAOYSA-N 363.602 4.369 0 1 FIAF Cc1noc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351247 ZQCNOLNVPHUKSI-TZIWHRDSSA-N 367.376 4.410 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N3CCCCC3)ccc1N)O2 587398970 JVZGQQWYKBVIAH-QFIPXVFZSA-N 365.477 4.030 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O 587420295 FJHVTZCWCNHWPO-GUYCJALGSA-N 368.282 4.222 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCC(C)(C)O4)[C@@H](C2)C3=O 587448048 BHJPDLPTNRPWNW-HRAATJIYSA-N 350.414 4.288 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc([C@H]3CCCO3)s1)CC2=O 587494107 IEZUZAYJBYLRAP-HZPDHXFCSA-N 359.447 4.359 0 1 FIAF CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cccc(Cl)c21 587503249 YBOXFSODMLMWRF-NRFANRHFSA-N 367.832 4.056 0 1 FIAF COc1cc(C)c(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587518975 RTOFDMOZCFGPLZ-QGZVFWFLSA-N 351.446 4.244 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2Cl)N1 587693089 CQRZGZAXYMUWJY-ABKXIKBNSA-N 369.665 4.434 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2F)N1 587725734 RWFJDZIXKFEAKJ-ZKANADHPSA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 587825473 DSXLKRICURVCMU-WLBIBMPGSA-N 366.274 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3occc32)N1 587834771 SQPHILGWVFWFGO-BMLIUANNSA-N 350.231 4.295 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C=O)cs2)N1 587847873 MELMHKPQBIWPII-XXFAHNHDSA-N 368.271 4.260 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1cc(F)c3[nH]ccc3c1)N(C)[C@@H](C)C2 962625770 JWLKNQJPZADINO-LAJNKCICSA-N 354.425 4.290 0 1 FIAF Cc1cc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c(C)n1C 962645879 YRYAUWBWELEEOZ-RCZVLFRGSA-N 371.528 4.478 0 1 FIAF Cc1sc2c(c1C)CCN[C@]21C2CCN(CC2)[C@H]1Cc1ccccc1F 963011370 PLXJQJCVADCREC-UNMCSNQZSA-N 370.537 4.182 0 1 FIAF COc1ccc2c(c1)C(C)(C)C[C@]21NCCc2cc3cccc(OC)c3nc21 963029608 DQTGRVZQUXKSGI-DEOSSOPVSA-N 374.484 4.323 0 1 FIAF COc1cccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)c1 1772581475 HYQBXEGPCIBWGS-UHFFFAOYSA-N 369.442 4.313 0 1 FIAF COc1c(C(C)C)cc2c(c1OC)[C@]1(C(O)O)CCCC(C)(C)[C@@H]1CC2 2356356955 FKPCESAYUWEVSC-AOMKIAJQSA-N 362.510 4.148 0 1 FIAF O=C(Nc1ccc(F)cc1)Nc1nc2ncccn2c1-c1ccc(F)cc1 203466182 UQUTWNZFEDFXLE-UHFFFAOYSA-N 365.343 4.319 0 3 FIAF COc1ccc(C[C@H](C)[C@@H](C)C(=O)c2ccc3c(c2)OCO3)cc1OC 14646512 GRBCXNICXUJJIW-UONOGXRCSA-N 356.418 4.130 0 1 FIAF biogenic COc1ccc(-c2nc3cc(-c4nc5cc(N)ccc5[nH]4)ccc3[nH]2)cc1 26726986 IISVVDVIFPDONL-UHFFFAOYSA-N 355.401 4.364 0 1 FIAF O=C(O)c1c[nH]c2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c1=O 27703637 QGRLTELZHPGGLW-UHFFFAOYSA-N 364.184 4.112 0 1 FIAF Cc1ccc2c(c1)c(/C=C1/[C@H](O)C3CCN1CC3)cn2Cc1ccccc1 28826444 WZRLJASBWSMOEJ-JXCKLXDISA-N 358.485 4.425 0 1 FIAF CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OC(=O)NCC)c1-3 35930568 AUWJEOYYGQLWQK-SFHVURJKSA-N 350.462 4.327 0 1 FIAF COc1ccc(-c2cnc3ccc(NCc4cccc(Cl)c4)nn23)cn1 45368297 KUQQHAQXXRQQBY-UHFFFAOYSA-N 365.824 4.065 0 1 FIAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccncc1 100703632 YMDJTNIDXCMEHP-CQSZACIVSA-N 368.462 4.293 0 1 FIAF Cc1cccc(-c2cn(CCCCCn3cccc(O)c3=S)nn2)c1 103255704 UMNUGVFLLQQTGA-UHFFFAOYSA-N 354.479 4.361 0 1 FIAF CCOC(=O)/N=c1/sc2c(n1-c1cccc(C(F)(F)F)c1)CCCC2 103272206 ADQMTUFRPDETRD-RCCKNPSSSA-N 370.396 4.494 0 1 FIAF Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3CC(C)C)nn12 113420183 AMYYZJXWXUEANO-UHFFFAOYSA-N 359.477 4.342 0 1 FIAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)O)cc1Cl 146541726 SZVKOXPOSCRQSD-MEDUHNTESA-N 354.797 4.475 0 1 FIAF C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)C1 166039268 ITYFKOXNXBAEDA-MRXNPFEDSA-N 363.461 4.106 0 1 FIAF COC(=O)[C@H]1[C@H](c2ccc(-c3cccc(OC)c3)cc2)C[C@H]2CC[C@H]1N2C 253635393 YAWYTOJUXFKJAW-ZDFPQIBNSA-N 365.473 4.102 0 1 FIAF CN1C[C@](O)(c2ccc3c(c2)Nc2ccccc2S3)O[C@@H]2CCCC[C@H]21 261163909 RKNYLNHGFOONQP-DBXWQHBBSA-N 368.502 4.313 0 1 FIAF CN(C)CCn1ccc2ccc(/C=C3/C(=O)Nc4ccc(Cl)cc43)cc21 299825725 ZYQJZRVGJBRQCH-WOJGMQOQSA-N 365.864 4.349 0 1 FIAF O=C1[C@@H]2CCCC[C@@H]2[C@H](O)N1c1cc(OC2CCCC2)c(Cl)cc1F 299846666 WVRMSBDYZOMFDZ-JCGVRSQUSA-N 367.848 4.272 0 1 FIAF O=[S@](Cc1nc2ccc(O)cc2[nH]1)C(c1ccccc1)c1ccccc1 586961212 SVMJZHMOSSKDIQ-AREMUKBSSA-N 362.454 4.307 0 1 FIAF Cc1cnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc2c1 587018375 XLOZPVPFPNBFLO-UHFFFAOYSA-N 358.430 4.104 0 1 FIAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Br)cnc2[nH]1 587028294 PLOXPTBEUNPECQ-UHFFFAOYSA-N 360.240 4.147 0 1 FIAF COC(=O)c1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587050567 PRFLXBARQBIKGR-IUCAKERBSA-N 362.216 4.322 0 1 FIAF O=C(CCCc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Cl)cn1 587081016 JRMYZASUDUYOTE-UHFFFAOYSA-N 353.184 4.004 0 1 FIAF Cc1cc(Br)c2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc2c1 587164390 UNYKIBBMLSZUSM-MRXNPFEDSA-N 362.246 4.424 0 1 FIAF Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)cc(F)c3[nH]1)O2 587174101 MFQGPTMIZVXENO-CYBMUJFWSA-N 351.150 4.280 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)cnc1Cl)O2 587383184 RLBLUVRGTOTHLT-ZDUSSCGKSA-N 356.731 4.351 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccccc1O)CC2=O 587484883 OJFWBMFJNIJBGG-YEJXKQKISA-N 356.418 4.242 0 1 FIAF 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FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(COc3ccccc3)n1)O2 587411701 FVBBZCONMYMHPS-GOSISDBHSA-N 366.442 4.319 0 1 FIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587417345 CEGKMRPHWXXZHS-QECYYQPUSA-N 369.848 4.067 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1sccc1Br)[C@@H](C2)C3=O 587454421 YGUMQPKSLQODAA-QFYYESIMSA-N 365.248 4.182 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 587475621 BIWGUJYPRNPWTD-KRWDZBQOSA-N 372.417 4.077 0 1 FIAF CCc1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587614773 UEUOWIBCNAIZLJ-MAUKXSAKSA-N 353.399 4.114 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(F)c2)N1 587723584 BQDWPOVWYWPEAK-XLFHBGCDSA-N 368.221 4.231 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(F)c2)N1 587728808 FVLCRMUTBANIGU-ZKANADHPSA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(cnn3C)c2)N1 587757232 GKQJQDQHLDLTEL-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2cnn3C)N1 587760966 RKBVHYFIKIRYGH-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF COc1cccc(OCc2ccc(-c3nc4cc(CCO)ccc4[nH]3)cc2)c1 587781912 YTSPTWVNCNGSDJ-UHFFFAOYSA-N 374.440 4.352 0 1 FIAF CO[C@@H]1[C@H](C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587813682 WMIVRASCHXBQPQ-ZATFBAOWSA-N 356.279 4.009 0 1 FIAF CC(=O)C[C@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587815380 MBDLOKPFIBGBQR-BMLIUANNSA-N 354.263 4.097 0 1 FIAF Cc1ncsc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587852992 KBOWTWKILKORLW-ANRSDYALSA-N 355.276 4.151 0 1 FIAF O=C(NC(=O)c1ccccc1F)N[C@@H]1c2ccccc2-c2cccc(F)c21 653792893 BTPYSBFUHCFAQG-LJQANCHMSA-N 364.351 4.174 0 1 FIAF CCc1ccc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962702577 BIDOIHLMNXZFGA-WMLDXEAASA-N 353.409 4.220 0 1 FIAF COc1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(F)c1 962722458 XGZJZMRTEHEJKF-ZUOKHONESA-N 361.457 4.426 0 1 FIAF C[C@]1(C23CC(F)(C2)C3)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962950287 CYZJYVGAHAZGDQ-IVMQYODDSA-N 369.402 4.464 0 1 FIAF COc1cc(OC)cc(C(=CCCN(C)C)c2ccc(OC)c(OC)c2)c1 1857623307 OLJIMPAUXRCAHJ-UHFFFAOYSA-N 371.477 4.104 0 1 FIAF C[C@H](c1ccc(C(=O)NCCOC2CCCCC2)cc1)N1CCCCC1 1911573770 AHOROIDQESIFCB-GOSISDBHSA-N 358.526 4.313 0 1 FIAF CC(=O)O[C@@H]1CC(C)=C[C@H](O)[C@H](O)C(C)=CCCC(C)=CC=C1C(C)C 2356805680 VJRYFYSHAWXPQA-BHDDXSALSA-N 362.510 4.245 0 1 FIAF O=C(NC1CCC1)c1cc2cccnc2n1-c1cc(F)c(Cl)c(F)c1 2382259077 NBOZDTZYMLXAHW-UHFFFAOYSA-N 361.779 4.239 0 1 FIAF Cc1nnc(-c2ccco2)c2cn(-c3cccc(Br)c3)nc12 988023 VEFGOQCPPLXOMH-UHFFFAOYSA-N 355.195 4.146 0 3 FIAF Cc1cccc(C)c1NC(=O)N1[C@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 4888199 JRRCTZAOOQWEHC-AYHJJNSGSA-N 371.525 4.383 0 1 FIAF CC[C@@H](C(=O)Nc1ccccc1OC)n1c(C(=O)OC)cc2sccc21 6820496 SGSXHVHQSHMBHG-ZDUSSCGKSA-N 372.446 4.088 0 1 FIAF CNCC[C@@H](Oc1ccc(I)cc1)c1ccccc1 13730756 BAEJWAJUFOTUFW-MRXNPFEDSA-N 367.230 4.021 0 1 FIAF CC[C@H](O)CCCCCCCC[C@@H](Cc1cc(O)cc(O)c1)OC(C)=O 14772397 NNSXNUFHPOAPLQ-RXVVDRJESA-N 366.498 4.464 0 1 FIAF biogenic O=C(O)CCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1 28138066 PQKUQHHPEJJXHN-UHFFFAOYSA-N 362.429 4.316 0 1 FIAF CCOC(=O)c1ccc(-c2nn(Cc3ccncc3)c3ccccc23)cc1 29064239 WQLVEFDRIFUFCE-UHFFFAOYSA-N 357.413 4.323 0 1 FIAF COC(=O)[C@@]1(C)CCC[C@]2(C(=O)O)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@H]12 34172526 BUDZNKDGXHMPRO-MZTJMCQTSA-N 360.450 4.016 0 1 FIAF Cc1ccc(S(=O)(=O)c2cc(O)c(Oc3cccc(C)c3)c(C)n2)cc1 40861720 ZSVVQAWPLNLSRW-UHFFFAOYSA-N 369.442 4.338 0 1 FIAF Cc1cc(C)c2nc(C3(c4ccc(F)cc4)CC3)c(O)c(C(=O)O)c2c1 58574944 GHNXHPIDYMKKOI-UHFFFAOYSA-N 351.377 4.474 0 1 FIAF CC(C)(C(=O)Nc1nncs1)C1c2ccccc2Oc2ccccc21 72111148 UKGFTAPPAPBJRG-UHFFFAOYSA-N 351.431 4.441 0 1 FIAF CCOc1ccccc1-c1nc(CNCCCN(C)c2ccccc2)co1 72182830 YQNKHKBOTJBUHA-UHFFFAOYSA-N 365.477 4.356 0 1 FIAF c1ccc([C@H]2CN(C3CC3)CC3(CCN(Cc4cscn4)CC3)C2)cc1 95382941 DUMZSCNJOLNXMP-LJQANCHMSA-N 367.562 4.377 0 1 FIAF COc1cc(O)c2c(=O)c(-c3ccc(O)c(CC(O)=C(C)C)c3)coc2c1 101966237 XHXNNGVWJWSNFK-UHFFFAOYSA-N 368.385 4.274 0 1 FIAF biogenic O=C1[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)CCCN1Cc1ccccc1 103282707 JUCFSJPYMAGOEA-QAPCUYQASA-N 364.272 4.466 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(C)=O 118932729 ZJNYSXYHIAEESM-IYDISJPVSA-N 374.521 4.059 0 1 FIAF Nc1ccc(-c2ccc3nc(/C=C4/OC(=O)c5ccccc54)[nH]c3c2)cc1N 586906513 NEZYQEGPPCGRHR-RGVLZGJSSA-N 368.396 4.063 0 1 FIAF C[C@@H](Sc1ncccn1)c1nc2c(Cl)c(Br)cnc2[nH]1 586960828 CRCKPNHHGTVQJR-ZCFIWIBFSA-N 370.663 4.017 0 1 FIAF Cc1ccc2c3c(cc(C4=CC=CN5C=CN[C@@H]45)nc13)-c1ccccc1C2=O 587097695 SCBAJOATFVIRCA-XMMPIXPASA-N 363.420 4.368 0 1 FIAF COc1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)nn1-c1ccccc1F 587155851 IKLVDEKKBRPXLF-UHFFFAOYSA-N 360.751 4.356 0 1 FIAF N[C@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C[C@H]1c1ccccc1F 587157047 REFWZRYVJSRQSF-GAJHUEQPSA-N 371.415 4.275 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1c1ccccc1n4C)[C@@H](C2)C3=O 587429266 APJWGRSQPYJVLO-HJPURHCSSA-N 359.425 4.166 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CSc1nc(C)cc(C)n1)CC2=O 587491123 ISTNYJVYFIZMNZ-HXUWFJFHSA-N 372.490 4.268 0 1 FIAF CC(C)c1nn(C)c(N(C)C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516816 WUULDMIPWCTXAI-GOSISDBHSA-N 367.493 4.195 0 1 FIAF CCCn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587582784 RALHBZNDUMADEG-GHTZIAJQSA-N 364.401 4.010 0 1 FIAF CCCn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587582785 RALHBZNDUMADEG-NQIIRXRSSA-N 364.401 4.010 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(F)cc2Cl)N1 587736804 XASPMZMTVSXPTP-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cnn(C)c3c2)N1 587759353 KINLCUGZIRTGJU-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF CCOC(=O)CCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587795773 JGOREKLXNGOQCQ-DIFFPNOSSA-N 372.278 4.071 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC(=O)C2CC2)N1 587816238 VODDPISJSAVRLA-YGRLFVJLSA-N 354.263 4.313 0 1 FIAF CCc1cc(O)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587835438 WMKVITVKXYGNDY-MLCYQJTMSA-N 364.258 4.480 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(F)c1 587861257 PGQNRTSQAWPMHZ-UHFFFAOYSA-N 364.298 4.405 0 1 FIAF COc1ccc(C[C@@H](C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1OC 587925780 HSCIEDUYEOSHOM-SECBINFHSA-N 350.340 4.344 0 1 FIAF COc1ccc(-c2ccc(-c3nc4cc(CCO)ccc4[nH]3)cc2)cc1OC 587929228 TUIPUBZMZORUKY-UHFFFAOYSA-N 374.440 4.449 0 1 FIAF CCOC(=O)c1ccc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 587931195 RGZBCVQLPVUFHT-YCRPNKLZSA-N 350.418 4.193 0 1 FIAF Oc1ccc(-c2[nH]nc(NCc3ccncc3)c2-c2ccc(O)cc2)cc1 653859635 BPOHTSISMFWFTM-UHFFFAOYSA-N 358.401 4.162 0 1 FIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@]2(CC=C(c3ccccc3)CC2)N1 963226708 PMPONXKRZIVZDK-VWNXMTODSA-N 370.452 4.297 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2C1(c2ccccc2)CCOCC1 963581702 OBTKVFQKBWITCO-OPAMFIHVSA-N 367.489 4.028 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c(Cl)cccc1N(C)C 963612128 RYCHHCSSTIEEOQ-YUNKPMOVSA-N 360.885 4.047 0 1 FIAF NC[C@H](N=c1[nH][nH]c2ccc(-c3ccccc3Cl)cc12)c1ccccc1 1857615566 BDCDUHPSZYIFAC-FQEVSTJZSA-N 362.864 4.417 0 1 FIAF O=C(Nc1cccc(F)c1)Nc1nccnc1OCc1cccc(Cl)c1 1857653884 RBGLHCGCSSULAH-UHFFFAOYSA-N 372.787 4.492 0 1 FIAF Cc1ccc(Nc2nc3cc(Oc4ncnc5c4cnn5C)ccc3o2)cc1 1857750364 IPFVEBVYKDVFCC-UHFFFAOYSA-N 372.388 4.349 0 1 FIAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]3O[C@@H](C[C@@H](C)[C@H]4CC[C@@]3(C)O4)[C@@H]21 2356395517 QZJZTABPQUIWIH-AENWJAESSA-N 364.526 4.352 0 1 FIAF O=C(/C=C/c1ccc(Br)cc1)Oc1ccc2ccc(=O)oc2c1 2382249292 CKHVNUYFVUPLAZ-YCRREMRBSA-N 371.186 4.174 0 1 FIAF CCOc1ccc(Nc2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1 2479221 YDLIJUFGIPCGRH-QGZVFWFLSA-N 364.449 4.363 0 3 FIAF Cc1ccc(S(=O)(=O)C2=Cc3ccccc3[C@]2(O)c2ccccc2)cc1 6005234 FJUDGVXCCNQOGE-JOCHJYFZSA-N 362.450 4.059 0 1 FIAF Cc1nc(-c2ccc(Cl)s2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13436241 ZUSLJHHXDFIEBK-UHFFFAOYSA-N 353.852 4.435 0 1 FIAF COc1cc(OC)c(CCC(C)(C)O)c2c1CC[C@H](c1ccccc1)O2 14614021 LUGSEMDQUBBXEJ-GOSISDBHSA-N 356.462 4.474 0 1 FIAF biogenic CCN(CC)CCS[C@H]1c2cc(OC)ccc2OCc2ncccc21 26835856 BIQHUFBBLXLCOC-HXUWFJFHSA-N 358.507 4.147 0 1 FIAF CCCN[C@H](c1ccc(OC)cc1)[C@H](NCCC)c1ccc(OC)cc1 27891413 VZMQBWSKOPJETE-FGZHOGPDSA-N 356.510 4.485 0 1 FIAF NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1ccc(F)cc1 28959764 NXPFAOXWSXJWJY-UHFFFAOYSA-N 358.376 4.278 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H](OC)[C@@H](CCCCCCCC(=O)O)OC 33820467 NOFLXSQXUWLFHC-KUUUERKLSA-N 358.519 4.329 0 1 FIAF COc1cc(O)c(C(=O)/C=C/c2ccc(Br)cc2)c(OC)c1 38332051 SBQROPKCMGCPOQ-VMPITWQZSA-N 363.207 4.068 0 1 FIAF CCS(=O)(=O)c1ccc2oc(-c3ccccc3Br)nc2c1 40979286 VFZOVTJHDVKGCI-UHFFFAOYSA-N 366.236 4.051 0 1 FIAF COc1ccc(-c2nc(C)sc2C(=O)Nc2ccccc2)cc1OC 103182841 HKHZUYYPQUQWAH-UHFFFAOYSA-N 354.431 4.388 0 1 FIAF Cc1c(C(=O)O)cnn1Cc1nc(-c2cccc(C(F)(F)F)c2)cs1 115472641 NOJOGZFKWHSFBH-UHFFFAOYSA-N 367.352 4.080 0 1 FIAF COc1cc2nc(N3CCCCC3)nc(Nc3ccccc3)c2cc1OC 149562673 KKMVSXDFOLJGPA-UHFFFAOYSA-N 364.449 4.381 0 1 FIAF C[C@H](SCc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 586963297 ZKNPZRNRKPCMAL-INIZCTEOSA-N 367.518 4.390 0 1 FIAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(Br)nc3[nH]2)s1 587014132 GWWITMKURWSHCP-QMMMGPOBSA-N 367.272 4.250 0 1 FIAF O=C(NCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1cc2c(s1)CCC2 587035225 QIKOFQUQMTZGKH-UHFFFAOYSA-N 366.273 4.350 0 1 FIAF O[C@H](c1nc2ccc(Br)c(F)c2[nH]1)c1ccccc1Cl 587059756 VDUIXGUQLZXECL-ZDUSSCGKSA-N 355.594 4.200 0 1 FIAF Cc1c(-c2nc3cccc(C(=O)O)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075172 DWZKCTTUGBVEQS-UHFFFAOYSA-N 352.781 4.076 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(c3cccc(Cl)c3)CCOCC1)O2 587375900 AOWYMSFWAGIMEH-IBGZPJMESA-N 371.864 4.313 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc4cc(Cl)ccc4n1C)[C@@H](C2)C3=O 587423527 UZSREHYQGAANCK-XOBRGWDASA-N 353.805 4.329 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)nn(-c4ccccc4)c1C)[C@@H](C2)C3=O 587432433 OSQALDDCKMRGAD-FDDCHVKYSA-N 374.440 4.161 0 1 FIAF COc1cc2c3c(c1)O[C@](CC1CCCCC1)(c1ncccn1)[C@@H](C2)C3=O 587435311 DKWCQDHZEIIOGS-JTSKRJEESA-N 364.445 4.099 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)nc1Cl)CC2=O 587462555 RAGXELIUZXFOLJ-ZDUSSCGKSA-N 353.205 4.148 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3SCCS[C@@H]31)CC2=O 587497370 CCXDVGGTIOJZLI-RYQLBKOJSA-N 350.505 4.060 0 1 FIAF Cc1ccc(Cl)nc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551668 IHIGJYBQRURYHS-UZLBHIALSA-N 367.788 4.452 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2ccccc12 587587542 GZOAHTQBCLUCPD-WIYYLYMNSA-N 373.364 4.282 0 1 FIAF COc1ccsc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610463 CIQOSTZLKZWHJT-JXFKEZNVSA-N 368.410 4.339 0 1 FIAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)cn1 587629812 IYJRFSXREUYNCB-UHFFFAOYSA-N 359.710 4.427 0 1 FIAF Cc1ccn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc2c1 587772678 FYTAMUTWGIUNID-BBATYDOGSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc[nH]c2C(C)(C)C)N1 587790625 IVLZJOFCGNLBEN-XPTSAGLGSA-N 366.278 4.232 0 1 FIAF CC(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806880 BHYZWIZMBQYEGL-BTDLBPIBSA-N 356.279 4.343 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3nccc-3c2)N1 587807512 XIJKCDLBJIPBMR-XXFAHNHDSA-N 360.230 4.040 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2N)N1 587845449 RCSSIEDXULKBKH-ANRSDYALSA-N 355.276 4.030 0 1 FIAF C[C@H](Oc1ccc(F)cc1F)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874354 WQKVYVQRFMATCT-VIFPVBQESA-N 360.291 4.181 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnc(F)c(Br)c2)N1 962947490 NPBDKHPZEODFQS-BZNIZROVSA-N 374.257 4.478 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)C2(CCC(c3nc(C)no3)CC2)N1 962961509 XNINCRRFJDFDGY-DBWCEAHUSA-N 350.466 4.337 0 1 FIAF CC(C)Oc1ccc(CC[C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963023927 JCJYXWNAZRKXDQ-FXAWDEMLSA-N 364.489 4.201 0 1 FIAF COc1cccc([C@]2(c3ccc(C)cn3)NCCc3cc(Cl)ccc32)c1 963390814 MYBGQYCAUXIEKM-QFIPXVFZSA-N 364.876 4.490 0 1 FIAF Cc1cc2c(cc1O)[C@@H](c1ccccc1-c1ccccc1C)N[C@H](C(=O)O)C2 963489958 JIQCONKRWCVPSV-JTHBVZDNSA-N 373.452 4.364 0 1 FIAF Cn1cc([C@H](CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21 1857623729 SJDGHXXYFFXVPE-OAQYLSRUSA-N 354.457 4.229 0 1 FIAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@@H]1[C@@H]1CC=CCCC(=O)O1 2356668413 PAVKIXOXXHKTAR-IFLJBQAJSA-N 362.510 4.079 0 1 FIAF O=C(NC1CC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)CCS2 3030254 VMONEEPCRPWTPX-UHFFFAOYSA-N 358.894 4.345 0 3 FIAF CC(C)CCNC(=O)c1ccc2c(c1)N(C)C(=O)c1ccccc1S2 3039904 KISDYNVVWSXTHM-UHFFFAOYSA-N 354.475 4.204 0 3 FIAF COc1ccc(CN2C(=O)[C@@H](n3c(C)ccc3C)c3cccc(F)c32)cc1 206028891 TWIDNZJPRHWOSQ-NRFANRHFSA-N 364.420 4.389 0 3 FIAF COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1OC 2468483 CDBZPBXXFHEQSW-AUUYWEPGSA-N 374.824 4.127 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C(=O)c5oncc5C[C@]4(C)[C@@H]3CC[C@]12C 5711863 SKAUQTZOMFSDQC-NUMWVGAOSA-N 371.477 4.204 0 1 FIAF CC[C@H](O)CCCCCCCC[C@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460231 PNBIZNWWGNJKRU-RDJZCZTQSA-N 350.455 4.071 0 1 FIAF biogenic CCc1c(Sc2ccc(Cl)c(Cl)c2)[nH]c2nc(N)nc(N)c12 14967427 AIKSNBKTRWWYRD-UHFFFAOYSA-N 354.266 4.143 0 1 FIAF O=C(Cc1cccc(-c2ccccc2)c1)NCCc1c[nH]c2ccc(O)cc12 14979722 HDZNSBAISQLELX-UHFFFAOYSA-N 370.452 4.442 0 1 FIAF COc1ccc(-c2cc(=O)n(CC(C)C)nc2-c2ccc(OC)cc2)cc1 26401079 YTSNEAFXNQKJSA-UHFFFAOYSA-N 364.445 4.251 0 1 FIAF [O-][N+]1=C(c2ccccc2Cl)c2cc(Cl)ccc2-c2ncncc2C1 29348138 WMLKIRMQFYNVCP-UHFFFAOYSA-N 356.212 4.312 0 1 FIAF O=C1c2ccccc2C(=O)N1CCc1c(-c2cccnc2)[nH]c2ccccc12 29462797 QORGPFLYZMYOCH-UHFFFAOYSA-N 367.408 4.069 0 1 FIAF C[C@@H](C(=O)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 36153005 SXZYCRORGALMIH-CXIBLRSTSA-N 361.526 4.187 0 1 FIAF CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(=O)O 64746549 HQVOROHHYWZJLD-UHFFFAOYSA-N 354.494 4.294 0 1 FIAF in-vitro CCS(=O)(=O)c1ccc2oc(Nc3cccc(C(F)(F)F)c3)nc2c1 73314578 AKYMZPXRNMDMCI-UHFFFAOYSA-N 370.352 4.384 0 1 FIAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2cccc(Cl)c2)cc1 100101516 SLXAUKWLFKVMRN-WOHPXGQKSA-N 367.880 4.345 0 1 FIAF O[C@@H](CNc1cc(-c2cccc(C(F)(F)F)c2)ncn1)c1ccccc1 103260527 GJLUUROODWWIPG-KRWDZBQOSA-N 359.351 4.308 0 1 FIAF CCCCC/C=C\C[C@H](O)/C=C/[C@H](O)[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 139553925 USJVWURFAMIZKS-HVMSUETLSA-N 364.526 4.303 0 1 FIAF CC[C@@H](C)CNCC(=O)N1CCc2sccc2[C@H]1c1cccc(C)c1 149069752 WELBRTWQUYGMIQ-QVKFZJNVSA-N 356.535 4.166 0 1 FIAF CNCc1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1 149821756 WISBHINJSCDTRW-UHFFFAOYSA-N 350.443 4.138 0 1 FIAF Cc1noc(C)c1-c1ccc2ncn(Cc3cccc(C(=O)N(C)C)c3)c2c1 169322625 IPJSJZLOMNILQB-UHFFFAOYSA-N 374.444 4.058 0 1 FIAF CCCC(=O)c1c(O)c(C=O)c(O)c2c1O[C@]1(C)C=C[C@@H](C(C)C)C[C@@H]1C2 238771828 TWCNVRBOBWVQSG-XDEPDNQISA-N 372.461 4.435 0 1 FIAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(CC(F)(F)F)n1 299823020 JJGXXKFMWXTDDS-WPRPVWTQSA-N 374.313 4.491 0 1 FIAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1 586880367 PUHLHXDTFDGVLL-VMPITWQZSA-N 361.170 4.229 0 1 FIAF Nc1ccnc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c12 587063365 LIPWICVQPJZHPF-UHFFFAOYSA-N 350.809 4.440 0 1 FIAF Fc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c(F)c1F 587126951 JAMHMPAKLHSTFV-UHFFFAOYSA-N 372.228 4.422 0 1 FIAF CC(=O)c1ccc2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2n1 587396110 WYDXCOPCABXSGT-JOCHJYFZSA-N 360.413 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N(C)C(C)=O)c1)CC2=O 587468513 IZXCGCXPRLZZDY-JOCHJYFZSA-N 367.445 4.208 0 1 FIAF COc1ccc([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587505951 MGXVVJHWCPVTFG-OAQYLSRUSA-N 372.848 4.080 0 1 FIAF COCc1ccc(OC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521945 FLRSDGHMXFFXGW-OAQYLSRUSA-N 352.430 4.427 0 1 FIAF COC(=O)c1ccc(OC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523568 KFZWPUFIGWCXIP-HXUWFJFHSA-N 366.413 4.067 0 1 FIAF C[C@@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549506 QNMHCQSFFZMACG-YOEHRIQHSA-N 352.308 4.455 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604992 WPGNLASQMZAUCA-OHEPNIRZSA-N 366.413 4.262 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nn(C)cc3c2)N1 587756408 DKAGABXNEWWCOB-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2OCC3)N1 587832085 AXVBAXLWPPBUFU-QGHHPUGFSA-N 362.242 4.147 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCC2CCOCC2)N1 587833353 GCGZREPFVUETAJ-NHYWBVRUSA-N 356.279 4.370 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@H](c3cc(-c4ccco4)cs3)c3cccc1c32 963023305 JPZBMEVGSABEMW-ODXCJYRJSA-N 350.443 4.151 0 1 FIAF FC(F)(F)c1ccccc1-n1cc(COCc2ccccc2S)nn1 1857571003 QGIQVDLMKSUKGP-UHFFFAOYSA-N 365.380 4.292 0 1 FIAF COc1ccc2c(c1)NC(=O)CCCCN2c1nc(C)nc2ccccc12 1857592949 OPFUWPFGQSTISL-UHFFFAOYSA-N 362.433 4.207 0 1 FIAF COc1c(C)c2c(c(O)c1CC=C(C)CCC[C@@H](C)C(C)=O)C(=O)OC2 2356718834 HRYHMFTVUSXJPA-CYBMUJFWSA-N 360.450 4.264 0 1 FIAF C[C@H](C(=O)N[C@@H](CO)c1ccc(OCC2CCCC2)cc1)c1ccccc1 2382221356 XBFRMEFOWJWYPO-JTSKRJEESA-N 367.489 4.209 0 1 FIAF O=C(Nc1ccc(Cl)cc1)[C@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 61926075 ONUQBUBDBCQBOS-GOSISDBHSA-N 368.795 4.483 0 3 FIAF O=C(NC1CCCC1)[C@H](C1CC1)n1c(-c2ccccn2)nc2ccccc21 95600807 BDQUWNFDIKXOBF-FQEVSTJZSA-N 360.461 4.108 0 3 FIAF O=C(Nc1ccc(F)cc1)c1csc([C@H](O)c2cccc(Cl)c2)n1 205218857 XGPUUTKDMXRVAA-OAHLLOKOSA-N 362.813 4.270 0 3 FIAF CC(=O)O[C@H]1OC(=O)c2ccc(C[C@H]3CCCC(C)(C)C3)c(C(C)=O)c21 5167519 RGZDSRRDRQIAFS-VLIAUNLRSA-N 358.434 4.380 0 1 FIAF biogenic COc1ccc2c(c1)[C@@H](CCCN1CCN(C3=NCCCC3)CC1)CCC2 13745353 NJMGAOHDZNCSFN-LJQANCHMSA-N 369.553 4.095 0 1 FIAF CN1C[C@H](COC(=O)C2CCCCC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 13793971 ONKFUPHAOVQMPR-QFIXIFRTSA-N 366.505 4.251 0 1 FIAF COc1cccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)c1 13804220 FKEVPZVICOXDLR-UHFFFAOYSA-N 358.913 4.494 0 1 FIAF CCN(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 28902731 PHJCUOIBBDUYDG-UHFFFAOYSA-N 373.456 4.117 0 1 FIAF Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 29696964 ITRMZYSEZBCBEC-RTBURBONSA-N 372.871 4.240 0 1 FIAF Cc1cc(N2CCCC2=O)cn2c(CSCCc3ccccc3)cnc12 40939431 FOEPFKZOJPGVJF-UHFFFAOYSA-N 365.502 4.245 0 1 FIAF O=C(N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1ccc(F)cc1 45230797 BXADHEWMWDHLJJ-MRXNPFEDSA-N 369.827 4.036 0 1 FIAF COc1ccc(NC(=O)c2cccnc2SCc2ccncc2)cc1 64539846 BQRVWMTZWYGHJI-UHFFFAOYSA-N 351.431 4.030 0 1 FIAF CCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 82132455 OQMDDWJGYCPPNP-IRXDYDNUSA-N 366.509 4.156 0 1 FIAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(C)[C@H](C4)[C@@H]13 100902610 BKKGVUYVPORNKS-XOXRTMJWSA-N 372.468 4.239 0 1 FIAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(C)c1C)c1ccco1 103192381 KIFHTSNXDPKHNA-QGZVFWFLSA-N 368.322 4.003 0 1 FIAF CC1(C)c2cc(O[C@H]3CCCNC3)ccc2C(=O)c2c1oc1ccccc21 114802038 MBSIECJCAWDZTQ-HNNXBMFYSA-N 361.441 4.434 0 1 FIAF CCc1c[nH]c2ncc(-c3cc([C@H]4CCOC4)n(C4CC(F)(F)C4)n3)cc12 146477707 AKWNXCPYKGBXLR-ZDUSSCGKSA-N 372.419 4.463 0 1 FIAF CC(C)=CCCOc1ccc([C@@H](O)CNC(=O)/C=C/c2ccccc2)cc1 238747713 PHOXVUZBKXSZOQ-NCSHYYEOSA-N 365.473 4.285 0 1 FIAF C[C@@H]1c2c3c(c(Cl)c(Cl)c2C(=O)[C@H]1C1CCCC1)O[C@@H](C(=O)O)C3 299818070 DQFOSDZUPRONCV-WHGOUJPWSA-N 369.244 4.488 0 1 FIAF COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccn1 586988663 VBXWNLIARJLBHZ-UHFFFAOYSA-N 354.365 4.222 0 1 FIAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(Br)nc2[nH]1 587027361 CJYNTXYVRKSTML-UHFFFAOYSA-N 360.240 4.147 0 1 FIAF COC(=O)CC[C@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106288 KQWKUBLKNWYUHQ-CQSZACIVSA-N 373.408 4.072 0 1 FIAF O=C(O)c1cccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587111390 GMABAUOLLZTXLJ-UHFFFAOYSA-N 357.291 4.495 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cc(F)c(C)cc3Br)nc2c1 587137788 LKPBOMKLGGDFEK-UHFFFAOYSA-N 365.202 4.457 0 1 FIAF Fc1cc(Br)cc(-c2nc3c(Br)ccnc3[nH]2)c1 587160711 BURCPTARGKRIOW-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)c(F)cc2[nH]1 587164546 VWEZHKAGDYHPON-HNNXBMFYSA-N 366.209 4.255 0 1 FIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)ncc2[nH]1)C(C)(C)C 587203301 DYHORQYJPXLCGO-GFCCVEGCSA-N 352.866 4.093 0 1 FIAF COP(=O)(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)OC 587209933 XUEBNXMPHSZIQW-UHFFFAOYSA-N 353.314 4.432 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)nc1Cl)O2 587383567 SQHNFLZCXLVEMA-LBPRGKRZSA-N 356.731 4.351 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(NC(=O)OC(C)(C)C)c1)O2 587389942 MWVKJTFCENLDFM-INIZCTEOSA-N 369.421 4.026 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc4sc(C=O)cc4s1)[C@@H](C2)C3=O 587451701 JYXQSEUAWNLXJN-BBATYDOGSA-N 356.424 4.273 0 1 FIAF C=C1C=C(C)n2c([C@H]3CC(=O)c4ccc(O)c(CCC)c4O3)cnc2N1 587491527 UNNOKSMJAHFVEU-GOSISDBHSA-N 351.406 4.048 0 1 FIAF O=C1C[C@@H]([C@@]2(c3cccc(F)c3)CCOC2)Oc2c1ccc1c2CCCC1 587502916 IRFFBCDAVGJFMZ-GMAHTHKFSA-N 366.432 4.397 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(O)c1 587540942 CIPJJJZYUJEDJH-YLJYHZDGSA-N 368.772 4.454 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COc2ccccc2F)N1 587726282 HWYMQKKNPYDWBT-QFYYESIMSA-N 368.221 4.382 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(F)c2)N1 587730170 IWPAHMXXVLTTBI-VPTHRUTESA-N 356.185 4.490 0 1 FIAF CCO[C@@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587814467 ZNTGVLSSEIUOPG-FNDUUJAJSA-N 356.279 4.153 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C2CCC2)N1 587815539 NLYREADRHRIXQL-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF Cc1c(O)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587822632 PUQSNYRVGRPUSJ-VVVCHXIZSA-N 350.231 4.226 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3occc32)N1 587834470 ROKAGHNUUWUYFZ-QGHHPUGFSA-N 350.231 4.295 0 1 FIAF Cc1nc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587851743 IZSSZLXIIQHBEX-AYVTZFPOSA-N 355.276 4.151 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(s2)CCC3)N1 587860095 ZUFDATJASVAPLE-AYVTZFPOSA-N 367.287 4.157 0 1 FIAF Cc1ccc(C)c(Cc2nc3ccc(I)cc3[nH]2)c1 587960237 ZPSGEAQXMHADAA-UHFFFAOYSA-N 362.214 4.375 0 1 FIAF OCCC[C@@H]1CCCC[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961613787 HUBJPVYTSCVHDV-HNAYVOBHSA-N 364.327 4.285 0 1 FIAF CNc1ncc([C@@]2(c3ccccc3)NCCc3cc(C)c(F)cc32)s1 962381396 YDSGFXPILZSGSF-FQEVSTJZSA-N 353.466 4.070 0 1 FIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](C3CCC(F)(F)CC3)N12 962645985 SJNCSJDGAUPICH-UWJYYQICSA-N 374.431 4.200 0 1 FIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2cccc(C(F)(F)F)c2Cl)N1 962890019 ALHVGCSGLPPWMP-ZFWWWQNUSA-N 373.733 4.186 0 1 FIAF C[C@@H]1C[C@@]2(CN1Cc1ccccc1)c1c(F)cccc1C[C@H]1CCCN12 963095301 COODGONOSTVRGA-HCLVMJGWSA-N 350.481 4.336 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1csc(Br)n1 963117825 ZCTZFAQZRUHMOT-FZMZJTMJSA-N 353.260 4.155 0 1 FIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccsc2)N1 963201940 UOOLBVSBZRFSKT-CHWSQXEVSA-N 361.772 4.109 0 1 FIAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@](C)(O)[C@H]2CCC(C)=CCO)C1(C)C 2356438372 CLXJESZSIVHFGY-NGVUMRSOSA-N 366.542 4.240 0 1 FIAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356533403 CUBPKSUGCMULEZ-GAALMVANSA-N 350.458 4.286 0 1 FIAF CCc1ccccc1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccco1 4886305 DYBDDRSSYVBRRI-AYHJJNSGSA-N 353.466 4.159 0 3 FIAF CCC(=O)N1CCC[C@]1(C)C(=O)Nc1cccc(Oc2ccccc2)c1 61897830 LALAQSCUADJXAU-OAQYLSRUSA-N 352.434 4.209 0 3 FIAF Brc1cccc(-c2nnc(CN3CCc4ccccc43)o2)c1 6791482 JCSDMUDBDMVRGX-UHFFFAOYSA-N 356.223 4.062 0 1 FIAF O[C@@H](c1ccccc1)[C@@H]1CN(Cc2ccccc2)CC[C@@]1(O)c1ccccc1 13152902 IUOKAJBTLLBDLO-CCDWMCETSA-N 373.496 4.130 0 1 FIAF CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(C)c1=O 13536112 WPEAIIMIBCQNFN-UHFFFAOYSA-N 357.498 4.008 0 1 FIAF COc1ccccc1/C=C\C(=O)Nc1ccc(-c2cnco2)c(OC)c1 13818713 VFGJGRZUOZEJBZ-YFHOEESVSA-N 350.374 4.011 0 1 FIAF COC(=O)[C@@H](C)[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 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FIAF CSC1=N[C@@H]2c3ccccc3SCCCCCOC(=O)[C@@H]2C(C)=N1 169713996 LUAAYKIXNWOEMY-HZPDHXFCSA-N 362.520 4.357 0 1 FIAF CCCC/C=C/[S@@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O 169729685 FUMUNQLQWYELGF-VFUOJUBFSA-N 350.436 4.080 0 1 FIAF O=C1C[C@]2(N3CCCCC3)C[C@@H](c3ccccc3)[C@H](N1)[C@@H](c1ccccc1)C2 253675648 JANYVRGTCTXBAJ-DSRHQZGHSA-N 374.528 4.461 0 1 FIAF C=CC(=O)Nc1ccccc1Nc1cc(NC2CCOCC2)ncc1Cl 474604900 FMRKLDKWLQDFQY-UHFFFAOYSA-N 372.856 4.194 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586897124 RMUQUIAKOBBIFU-UHFFFAOYSA-N 364.426 4.006 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)c(F)cc2[nH]1 586964056 TVVRTKJSHXAPHX-GFCCVEGCSA-N 352.822 4.403 0 1 FIAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)nn3)nc3ccc(O)c1c23 586985500 FBGTVNFEEZYYOJ-UHFFFAOYSA-N 359.772 4.262 0 1 FIAF COc1ccc2nc(-c3nc4cnc(Br)cc4[nH]3)sc2c1 587035907 WPKCPMYQSNRPIX-UHFFFAOYSA-N 361.224 4.006 0 1 FIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc3c(cc2[nH]1)OCO3 587044791 SAKCROMWPGEAEF-UHFFFAOYSA-N 367.188 4.283 0 1 FIAF O=C(O)c1cc(F)cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587073108 BQQFTVXZGMTBQE-INIZCTEOSA-N 373.815 4.391 0 1 FIAF COC(=O)[C@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587098492 TVFKNNMPTNLFEI-INIZCTEOSA-N 357.409 4.348 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([C@@H](C)C(=O)O)cc1)(C(C)C)O2 587409432 TZTNKPQLGGTCPJ-PEBXRYMYSA-N 367.445 4.282 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(CCc1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587424333 NLLYBHOEEUKINI-HRAATJIYSA-N 374.383 4.436 0 1 FIAF CC[C@@H](C)Oc1c(OC)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439057 JAONHGSGFPXWCV-YDZGXFTCSA-N 368.429 4.370 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cc(C)ccc1C)[C@@H](C2)C3=O 587439159 KCZNOANSCYTHJE-AOMKIAJQSA-N 360.413 4.191 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)c(C=O)c3ccccn13)CC2=O 587483358 CLUSPRBQEZQGOK-FQEVSTJZSA-N 363.413 4.425 0 1 FIAF O=C1C[C@@H](c2cnc3[nH]cnc(Cl)c2-3)Oc2c1ccc1c2CCCC1 587496939 CSFFFAJCNPYUDF-HNNXBMFYSA-N 353.809 4.148 0 1 FIAF COc1ccccc1-n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516696 DSVWHUDXVVTTTH-JOCHJYFZSA-N 374.440 4.466 0 1 FIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC 587525565 PXKADIOFMZTPFV-SFHVURJKSA-N 368.429 4.298 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnccc1Cl 587547663 MXNUATRSAJACCP-QFBILLFUSA-N 353.761 4.144 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(F)cc2C=O)N1 587738007 JEGNDZLLRGSYQG-WJWGPLDTSA-N 372.234 4.225 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)c3ccccc32)N1 587769036 MEAHPWJECGANSB-BLVKFPJESA-N 373.269 4.330 0 1 FIAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 587771524 MELQYSWPWFAWGX-KPZWWZAWSA-N 363.274 4.398 0 1 FIAF COc1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1O 587787084 PYYNHBGXESFUOZ-UHFFFAOYSA-N 353.603 4.360 0 1 FIAF CCCC[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587796476 KOTRWLCPFGJZAP-DIFFPNOSSA-N 372.278 4.071 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccncc3[nH]2)N1 587802805 NTKPTPJKMXBJAC-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF CC1=CS[C@](OCC2CCCCC2)(c2ccccc2)c2noc(=O)n21 653886886 BIXWWUCANYDHGH-LJQANCHMSA-N 358.463 4.199 0 1 FIAF COc1ccc2c(c1)[C@]1(N[C@@H]3CC[C@@H]23)c2ccccc2CC12CCOCC2 962996242 OIPKULRZGIENBW-BPUDTRNYSA-N 361.485 4.141 0 1 FIAF Fc1cccc2c1[C@]1(c3ccccc3CC13CCOCC3)N1CCC[C@@H]1C2 963100657 CHDHPHQHEHOQRE-DVECYGJZSA-N 363.476 4.443 0 1 FIAF COc1ccc(-c2ccc(Cn3cc(-c4ccc(C)cc4)nn3)cc2)cn1 1857550925 NUWGRQLPQIXMCW-UHFFFAOYSA-N 356.429 4.372 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)CCC2 1857756347 CTLDZDRQWHTHFR-HNNXBMFYSA-N 358.434 4.198 0 1 FIAF O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc2oc(=O)ccc2c1 2382239240 XSYJOQHFALEUSV-XBXARRHUSA-N 359.303 4.464 0 1 FIAF CC(=O)O[C@H](C=C(C)C)C/C(C)=C/COc1ccc2ccc(=O)oc2c1 13374361 HBHAENAAWHAOMI-RNYZQXAPSA-N 356.418 4.406 0 1 FIAF COc1ccc2c(c1)[C@@H](CCCN1CCN(c3ccccn3)CC1)CCC2 13740690 NXLCQCUSLGWBEP-LJQANCHMSA-N 365.521 4.113 0 1 FIAF O=C1N(c2ccccc2)c2ccccc2[C@@]1(CCCCO)Cc1ccncc1 13902889 FDPKQXSMFNIDQI-XMMPIXPASA-N 372.468 4.403 0 1 FIAF CNC[C@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1 14961049 IPHKZGAEKMFMAW-KRWDZBQOSA-N 363.852 4.025 0 1 FIAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)ccc1OCc1ccccc1 29128379 DOJDOCCGHGFTOQ-UHFFFAOYSA-N 356.809 4.170 0 1 FIAF CC(=O)O[C@H]1CC[C@H]2[C@H]3CC[C@H]4CN(C(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29404995 YXKNWBJKYNIVOY-JKJPFATMSA-N 361.526 4.029 0 1 FIAF Cc1cc(C)c(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)c1 40394885 LTWAJDVBZNSQGY-UHFFFAOYSA-N 357.413 4.282 0 1 FIAF Cc1ccc(-c2nocc2/C=C2\SC(=N)N(c3nccs3)C2=O)cc1 40423430 XLWJWNMLPDBYKF-WRBCWBSPSA-N 368.443 4.162 0 1 FIAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)C1 59262430 ZETKRQDDYKMOPO-QFBILLFUSA-N 369.553 4.370 0 1 FIAF O=C(O)[C@H]1CCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64447025 FIMFEAXKPOZWDG-HFMPRLQTSA-N 361.485 4.030 0 1 FIAF COc1ccc(-n2cnc(-c3ccccc3Nc3ccncc3)n2)cc1OC 87722395 VMNOMOKJKCZKED-UHFFFAOYSA-N 373.416 4.090 0 1 FIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(C(C)(C)C)cn3)C2)cc1 96172945 JAFAQDMZZXTZGU-OAHLLOKOSA-N 367.493 4.124 0 1 FIAF CCOC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C(C)C)cc1 103186494 YWWOZAPYZHDNSC-NKSQBSFPSA-N 365.473 4.114 0 1 FIAF Cc1cc(F)ccc1-c1nc2ccc(C(=O)O)cc2nc1N(C)C(C)C 205430946 UJJBXNNNFVIICL-UHFFFAOYSA-N 353.397 4.287 0 1 FIAF O[C@@H](COc1cccc(-c2ccccc2)c1)CN1CCc2ccccc2C1 218388159 OPPYETVGOHOJBN-HSZRJFAPSA-N 359.469 4.152 0 1 FIAF C[C@@H](N)CNc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12 223669311 RZZKTKIGXMBTFI-SNVBAGLBSA-N 369.881 4.319 0 1 FIAF O=C(N[C@H](Cc1cc2ccccc2o1)C(=O)O)c1ccc2ccccc2c1 299830675 OPSTZHUZGYIIHY-LJQANCHMSA-N 359.381 4.012 0 1 FIAF O=C(O)/C=C/c1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586879789 NPTYBLRINCKDKS-AATRIKPKSA-N 350.271 4.486 0 1 FIAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)c(C)nc3[nH]2)cc1 586885914 DMHZPHYBNRHGBK-BONVTDFDSA-N 360.255 4.174 0 1 FIAF CCCC(Br)(CCC)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586971517 TVFRYNDLXFVVCA-UHFFFAOYSA-N 373.316 4.157 0 1 FIAF Cc1cc2c(cn1)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586988648 UMYLNIUVVQQOSK-UHFFFAOYSA-N 350.377 4.426 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(Cl)cnc2[nH]1 587168432 VXBDINIHSXTJDR-AWEZNQCLSA-N 359.792 4.119 0 1 FIAF COC(=O)c1cc2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc2cc1OC 587175695 YRJWKZQVWKQUIX-UHFFFAOYSA-N 373.771 4.299 0 1 FIAF COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1F 587206706 YEVVTRCWHYURPJ-HNNXBMFYSA-N 365.449 4.193 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(Cl)o1)O2 587376094 GZCYRTARTLACQX-GFCCVEGCSA-N 356.603 4.293 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Oc3ncccn3)cc1)O2 587394276 SMRVQXBXNCNFMT-OAQYLSRUSA-N 361.401 4.040 0 1 FIAF CCCCOc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587400704 NMXBOVWDEWBMHU-LJQANCHMSA-N 355.434 4.471 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCC(=O)O)(c1ccccc1)O2 587407811 LGROKSADYGAKTF-NRFANRHFSA-N 353.418 4.083 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(Br)c1)[C@@H](C2)C3=O 587421717 AIJNSUSOEHDFCG-APPDUMDISA-N 363.182 4.086 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccncc4)cc1)[C@@H](C2)C3=O 587436542 QNGZTYGUCNJNJX-WMZHIEFXSA-N 357.409 4.420 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccccc1F)CC2=O 587466238 JSYDCVRQADOGFQ-OAQYLSRUSA-N 371.408 4.237 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OCC)c(C)o1)CC2=O 587482098 OSSDIGRJUJSUOZ-NRFANRHFSA-N 372.417 4.303 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(O)cc1F 587557162 MCNJSPUDQQGQPJ-FXAWDEMLSA-N 370.307 4.079 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCc2ccccc21 587604139 ROPCQEUWSLYIGP-GRWTVWFQSA-N 358.393 4.452 0 1 FIAF Cc1cc2c(o1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617470 PUBYCTJRWASYOP-KNQAVFIVSA-N 362.381 4.487 0 1 FIAF COc1ccc(C)cc1C(=O)CCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587786666 JYRPEPVFDLHOER-UHFFFAOYSA-N 374.343 4.017 0 1 FIAF Cc1cc(OC(C)(C)C)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O 587945348 MRQIJFSJBQSKFQ-UHFFFAOYSA-N 357.429 4.361 0 1 FIAF Sc1nc(S)c2nc(Cc3ccccc3-c3ccccc3)[nH]c2n1 587962658 VIZYOGOIFNZXPT-UHFFFAOYSA-N 350.472 4.188 0 1 FIAF O=C(Cn1ccc2ncc(-c3cccc(C(F)(F)F)c3)cc21)NC1CC1 1857573444 KBTLQCNLMSTKOK-UHFFFAOYSA-N 359.351 4.001 0 1 FIAF O=C(NCCc1cccc(Nc2ncnc3[nH]ccc23)c1)Nc1ccccc1 1857608638 GGEZBZCPADOAPX-UHFFFAOYSA-N 372.432 4.066 0 1 FIAF NC(=S)c1cccc(-c2cn(CC3(F)CCC3)c3cc(CO)ccc23)c1 1857615802 GTTUCJIEXSURTF-UHFFFAOYSA-N 368.477 4.327 0 1 FIAF CC(=O)O[C@@H]1CC(C)=C[C@@H](O)[C@H](O)C(C)=CCCC(C)=CC=C1C(C)C 2356805682 VJRYFYSHAWXPQA-YPAWHYETSA-N 362.510 4.245 0 1 FIAF Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)c1ccncc1 12473339 SHVFGYNMRWSMOM-GOSISDBHSA-N 360.461 4.019 0 3 FIAF COC(=O)CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc(C)cc1 4927631 UGFCBBLGTVUREC-UHFFFAOYSA-N 356.422 4.456 0 1 FIAF COc1ccc(-c2noc(N[C@@H]3CCCc4ccccc43)n2)cc1OC 6935921 DFYMNWGOUBDXQU-MRXNPFEDSA-N 351.406 4.243 0 1 FIAF COc1cc(-c2ccc[nH]2)[nH]c1/C=C1/C=CC(CCCCCC(=O)O)=N1 26573861 UVDTUWUINXYBTK-QINSGFPZSA-N 353.422 4.405 0 1 FIAF COc1ccc(SCCCN2CCN(c3cccc(F)c3)CC2)cc1 28886724 PGXNRRFVTFVXCR-UHFFFAOYSA-N 360.498 4.139 0 1 FIAF CCc1ccccc1Cn1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O 73280136 HWVAHJIPOKOITB-UHFFFAOYSA-N 370.836 4.308 0 1 FIAF O=C1N[C@@H]2CCCC[C@H]2N1C1CCN([C@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 95607775 RVFJUGFEQYVYCP-JBYOPCTKSA-N 359.558 4.146 0 1 FIAF COc1cc(NC(=O)c2cc3c4c(c2)CCCC4CCC3)ccc1C(=O)O 96907126 WXHIYAUFOUJFAL-UHFFFAOYSA-N 365.429 4.402 0 1 FIAF C[C@H]1CC[C@H]2[C@H]1[C@H](C1=CCCC1)OC(=O)[C@H]2[C@H]1OC(=O)C[C@H]2CC[C@H](C)[C@@H]12 96910210 PNQRQHZSONLAAC-ZUAIBPGXSA-N 372.505 4.278 0 1 FIAF Cc1cnc(N2C(=O)CS[C@@H]2c2cc3ccccc3nc2Cl)s1 103196589 PMGLRKFKFFWFDU-OAHLLOKOSA-N 361.879 4.432 0 1 FIAF CCC1(CC)C[C@@H](COC(=O)Nc2ccc(N3CCCCC3)cc2)OC1=O 103202843 NNXSNWTVWSFEKL-SFHVURJKSA-N 374.481 4.347 0 1 FIAF O=C1NCCc2nc(-c3ccccc3)cc(Nc3cccc4cnccc34)c21 116991507 TUYVSKFPEDMKSO-UHFFFAOYSA-N 366.424 4.326 0 1 FIAF Cc1cc(C(=O)NC(C)C)cnc1OCc1c(-c2ccccc2)noc1C 142473686 QKIYALGAWYXWIS-UHFFFAOYSA-N 365.433 4.071 0 1 FIAF COC(C)(C)/C=C/c1c2c(c3oc(C)cc(=O)c3c1O)C=CC(C)(C)O2 238733137 PSUAGFUDTCULAM-VQHVLOKHSA-N 356.418 4.429 0 1 FIAF C[C@@]1(CC(=O)O)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]2(C)O1 238748696 DIOJOCARQQZEDG-PGTOZNMBSA-N 352.471 4.096 0 1 FIAF CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 299812998 MDJRZSNPHZEMJH-CEEINRITSA-N 374.521 4.059 0 1 FIAF CNC(=O)Nc1nc2cc(Oc3cccc(C(F)(F)F)c3)ccc2[nH]1 299831519 QJVXNCVTQWFRLC-UHFFFAOYSA-N 350.300 4.125 0 1 FIAF COC(=O)c1cc2[nH]c(-c3ccccc3-c3ccc(O)cc3)nc2cc1OC 586898747 NCOAOEOKVQPFJU-UHFFFAOYSA-N 374.396 4.398 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc3ncccc3c2[nH]1 586917968 VJZWQPMIPALUFR-KSFYIVLOSA-N 357.413 4.328 0 1 FIAF Fc1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1Br 587017291 USGGHUCAKXAVKY-JTQLQIEISA-N 368.231 4.440 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)C(C)(C)C 587203637 GELLLNHCRKTSPW-JTQLQIEISA-N 370.856 4.232 0 1 FIAF N=c1cc(-c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc2[nH]1 587254308 QZWSFMSYHSSOSL-UHFFFAOYSA-N 357.186 4.092 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3ccc(Cl)cc3c1=O)O2 587379629 JSHAFWZZHLDJPE-QGZVFWFLSA-N 355.777 4.044 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2c(OC)cccc12 587403681 POQJZUPRRXMWQZ-FQEVSTJZSA-N 363.413 4.454 0 1 FIAF Cc1ccc(OCc2nc3ccc(I)cc3[nH]2)cc1 587565372 DVABOXBVQKPKCK-UHFFFAOYSA-N 364.186 4.055 0 1 FIAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587585597 FBVAZCIIXHGFTO-DENIHFKCSA-N 361.397 4.281 0 1 FIAF Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1C 587609383 BTRRPPDFPWDWKG-JXFKEZNVSA-N 367.426 4.343 0 1 FIAF Cc1cccc(N2CCN(Cc3sccc3-n3cccc3)CC2)c1C 621476171 ZQPCDRMNKAONAM-UHFFFAOYSA-N 351.519 4.478 0 1 FIAF COc1ccc2c(c1)[C@@]1(CC(C)(C)Oc3ccc(O)cc31)N(C(C)C)CC2 962093025 SFXMKTYVXJKSGS-HSZRJFAPSA-N 367.489 4.472 0 1 FIAF O=C([C@@H]1Cc2ccccc2[C@]2(C=C[C@H](C(F)(F)F)CC2)N1)C(F)(F)F 962776000 ZTBJLSFGQRGSKT-CORIIIEPSA-N 363.301 4.056 0 1 FIAF CC(C)c1nn(C)c2c1[C@@](C)(CC(=O)C13CC4CC(CC(C4)C1)C3)NCC2 962922437 XAHWJTJHYKEZLX-FOOFDJGMSA-N 369.553 4.080 0 1 FIAF COc1ccc(C[C@]2(C)c3ccsc3CCN2Cc2cccnc2)cn1 962997235 KZKQSUOMMDGKLM-OAQYLSRUSA-N 365.502 4.063 0 1 FIAF O=C(O)c1cccc(-n2c(/C=C/c3cccs3)nc3ccccc3c2=O)c1 1857548139 PTQXBQNUSCOKIJ-ZHACJKMWSA-N 374.421 4.316 0 1 FIAF CCC[C@H](CC(=O)CC(=O)CCc1ccc(O)c(OC)c1)c1cc[nH]c1 2356354550 LZRZCSCCJDXJMZ-MRXNPFEDSA-N 357.450 4.164 0 1 FIAF COc1cc(C[C@H](CC(=O)O)C[C@@H](C)OCc2ccccc2)cc(OC)c1 7039572 XTQXBGGKYKPJDW-SJLPKXTDSA-N 372.461 4.333 0 3 FIAF Clc1ccccc1CN(Cc1ccco1)Cc1nnnn1C1CCCC1 57614069 OKRUNHSVYVBMBF-UHFFFAOYSA-N 371.872 4.237 0 3 FIAF COc1cc2ccc(=O)oc2c(OC)c1OC[C@H]1O[C@@]1(C)CCC=C(C)C 14776334 NHOWWFCRJNLVNU-IERDGZPVSA-N 374.433 4.093 0 1 FIAF biogenic O=C(O)COc1ccc(-c2nocc3c(C(=O)C4CCCC4)ccc2-3)cc1 28569161 AOMDFHVTKIDTND-UHFFFAOYSA-N 365.385 4.283 0 1 FIAF Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1 29129980 GEGCXGMFUYJULA-UHFFFAOYSA-N 372.432 4.170 0 1 FIAF CC(C)c1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C 36380020 WDOKYKUATUAREU-UHFFFAOYSA-N 355.438 4.261 0 1 FIAF CN(C)C(=O)N1Cc2c(ccc(Cl)c2Cl)[C@H](c2cccc(O)c2)C1 38156054 UMODMSWPONWCHE-AWEZNQCLSA-N 365.260 4.328 0 1 FIAF OCCc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1 40936747 KICYRHSJZBVNMZ-UHFFFAOYSA-N 365.216 4.157 0 1 FIAF O=C1CSC(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)=N1 73315054 VTXQTIHBNGSDQB-INIZCTEOSA-N 355.850 4.121 0 1 FIAF COc1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3N)cc1CC2 95572441 GNSXPHIFEOSWHN-UHFFFAOYSA-N 362.404 4.490 0 1 FIAF COc1ccc(S(=O)(=O)/C=C/c2ccccc2C(F)(F)F)cc1OC 103248103 SHQRSXKDIXVDMU-MDZDMXLPSA-N 372.364 4.167 0 1 FIAF Nc1ccccc1NC(=O)CCCCCCc1nc(-c2ccccc2)no1 138048359 YIKGMJNNHMFVDX-UHFFFAOYSA-N 364.449 4.451 0 1 FIAF CCCn1cc(-c2ccc(CNC(=O)N3Cc4ccccc4C3)cc2)cn1 166609805 VIFNRFQZEOGDOP-UHFFFAOYSA-N 360.461 4.186 0 1 FIAF COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1[C@@](C)(CO)CCC[C@@]12C 238746060 MMJMGOIGFQALOP-DARKYYSBSA-N 350.499 4.012 0 1 FIAF CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(C)=O 299821529 FTGAXNLDYHSFJB-UHFFFAOYSA-N 366.446 4.336 0 1 FIAF CCOC(=O)c1sc2ccc(N)cc2c1NC(=O)c1ccc(C)cc1 299866622 PEQYTQRLWWUQNH-UHFFFAOYSA-N 354.431 4.221 0 1 FIAF Fc1cc(Br)cc([C@H]2C[C@H](c3ccccc3)N3NN=NC3=N2)c1 473249902 YTLPDXKPGXINAV-HUUCEWRRSA-N 374.217 4.318 0 1 FIAF COc1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2cn1 586878795 DRMBBODXIRLFCF-UHFFFAOYSA-N 359.385 4.307 0 1 FIAF COc1ccc2nc(-c3nc4c(Br)cncc4[nH]3)sc2c1 587034928 JVESRJGTINHQBC-UHFFFAOYSA-N 361.224 4.006 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CC2(C[C@H]31)OCCO2 587209723 TYHWSBHIQGQVIK-DYVFJYSZSA-N 369.420 4.239 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)cnc1Cl)[C@@H](C2)C3=O 587420127 IOLUGXQYBCVTOO-APPDUMDISA-N 350.201 4.060 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(Cc4ccco4)c1C)[C@@H](C2)C3=O 587431414 OMNYTESRIWNZET-AVRDEDQJSA-N 363.413 4.244 0 1 FIAF COc1ccc(-c2ncccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587436273 PELPXAGBHFJJLP-JPYJTQIMSA-N 373.408 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(C)s1)CC2=O 587495901 VKIVYVIOTCCXQN-HXUWFJFHSA-N 374.458 4.440 0 1 FIAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527709 VRPAVLUYHMCVSO-JOCHJYFZSA-N 365.429 4.097 0 1 FIAF C[C@@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549501 QNMHCQSFFZMACG-PBHICJAKSA-N 352.308 4.455 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)nc2)N1 587708685 ZCKKOMOLDYNRBO-XXFAHNHDSA-N 369.665 4.434 0 1 FIAF CC(C)c1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587776117 WLNNCFIREMPVHP-HWPZZCPQSA-N 364.262 4.125 0 1 FIAF CC(=O)C[C@@]1(C2(C)CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587814286 GQAOHWRWCDQFFC-BMLIUANNSA-N 354.263 4.097 0 1 FIAF Cc1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850943 GSVNXUCHKXPFQF-NXSYQRQQSA-N 355.276 4.285 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CSCC(C)(C)C2)N1 587857501 KTIFRDSPWDZNPR-HWPZZCPQSA-N 358.320 4.481 0 1 FIAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccc(F)c(F)c1 653697669 LODAOKYCVPKYSG-UHFFFAOYSA-N 352.340 4.303 0 1 FIAF CCOc1ccccc1-c1cc(F)cc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772597084 FTISRPHTPVPGKV-KRWDZBQOSA-N 370.380 4.189 0 1 FIAF c1ccc(COc2cccc(NCc3nc(-c4ccncc4)n[nH]3)c2)cc1 1772639427 FHHLTZCXNQJXOZ-UHFFFAOYSA-N 357.417 4.058 0 1 FIAF C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3ccc4nccnc4n3)cc21 1857570249 QFRKQFHXQAHZJO-QHCPKHFHSA-N 366.424 4.144 0 1 FIAF CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 61926721 ADAZYBDLWVPZTI-HXUWFJFHSA-N 351.446 4.159 0 3 FIAF O=C(NC1CCCC1)[C@@H](C1CC1)n1c(-c2ccccn2)nc2ccccc21 95600808 BDQUWNFDIKXOBF-HXUWFJFHSA-N 360.461 4.108 0 3 FIAF CC(C)c1ccc(N(C)C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)cc1 201575 YFWIOYLKWLMPHC-UHFFFAOYSA-N 350.418 4.195 0 1 FIAF FC(F)(F)c1ccccc1-c1nc(NC2CCNCC2)c2ccccc2n1 4267072 WEJYLKIJBJOTEQ-UHFFFAOYSA-N 372.394 4.480 0 1 FIAF COc1ccc2c3c(c(=O)oc2c1)CN(Cc1cccc(Cl)c1)CC3 13764638 MMTKBQGOVDOJAE-UHFFFAOYSA-N 355.821 4.013 0 1 FIAF C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OC(C)=O 14508933 HTNGGVARAVBBLP-VIRVFLBCSA-N 358.478 4.185 0 1 FIAF biogenic Cn1c(=O)c(COc2cccc(Nc3ccccc3)c2)nc2ccccc21 27703808 CMFGACOGFYGGFY-UHFFFAOYSA-N 357.413 4.256 0 1 FIAF Cc1cc(Cl)c2ccc(Cl)cc2c1CC[C@@H]1C[C@@H](O)CC(=O)O1 27876016 DDRAMGUROMYXMD-CHWSQXEVSA-N 353.245 4.454 0 1 FIAF O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1C[C@H]1CNc2ccccc21 28239768 UWNODOKMPURDDA-JTSKRJEESA-N 367.452 4.444 0 1 FIAF O=c1ccc(Oc2ccc(F)cc2Cl)nn1-c1ccccc1Cl 40584305 VROLPYUVLNRONM-UHFFFAOYSA-N 351.164 4.471 0 1 FIAF O=C(NC1CC1)c1cnc(N2CCC(Cc3ccccc3)CC2)c(Cl)c1 45192417 BHBCSHGOPMLSOP-UHFFFAOYSA-N 369.896 4.086 0 1 FIAF O=C([C@H]1CC12CCC(C1CCCCC1)CC2)N1CCN(C2CCC2)CC1 103243023 BGVWWNSHROUKKN-YUVVGHDESA-N 358.570 4.460 0 1 FIAF C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1 115721652 XNLQUWXXCRJCDC-VIFPVBQESA-N 371.853 4.265 0 1 FIAF CCc1nc(Nc2ccc(CCCO)cc2)nc(-c2cccc(Cl)c2)n1 143490570 KNVNEIXIAYZSMU-UHFFFAOYSA-N 368.868 4.423 0 1 FIAF CCOc1ccc2ccc(-c3nn(CC(C)C)c4ncnc(N)c34)cc2c1 212415121 AEVLTZJWDLNUCI-UHFFFAOYSA-N 361.449 4.283 0 1 FIAF in-vitro COC(=O)[C@@H](C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC 222467532 IKWAALBTQGUXKJ-YVUMSICPSA-N 358.478 4.146 0 1 FIAF CCOC(=O)c1sc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1N 299862217 JJSWICVPPHRWGY-UHFFFAOYSA-N 365.764 4.318 0 1 FIAF COC(=O)c1cccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 587070971 YUYHRDMAZPFJRH-LLVKDONJSA-N 356.809 4.379 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587081724 ZHHLNCFQVUFAQG-AWEZNQCLSA-N 363.200 4.333 0 1 FIAF COC(=O)c1ccnc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c12 587082661 ADLBPPSZDDOBGS-UHFFFAOYSA-N 373.199 4.267 0 1 FIAF COc1cc(-c2nc3cccnc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144398 VFKYKLQUTJJITH-UHFFFAOYSA-N 363.348 4.138 0 1 FIAF CCCc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587276279 LKKSOZMASUAFLV-UHFFFAOYSA-N 374.234 4.266 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cnc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587418762 CKHKOVHPQVKWHH-GTNSWQLSSA-N 350.201 4.060 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587419664 HSBDHBZGRMAHRY-KXBFYZLASA-N 362.347 4.463 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc(OC)c(Cl)c1)CC2=O 587461432 KFBQQFACXRTGAT-IBGZPJMESA-N 361.825 4.282 0 1 FIAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515665 NSPXXEDRXINWHV-FQEVSTJZSA-N 373.456 4.469 0 1 FIAF O=C(c1c(C2CC2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)F 587622231 GCJMCMZJDXHKGW-UHFFFAOYSA-N 354.154 4.132 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(F)c2)N1 587725864 SFOWSAGCOBGQEG-BCTVWOGZSA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)OC(C)(C)C)N1 587792774 MSWDGFKHMARPLP-BMLIUANNSA-N 372.278 4.069 0 1 FIAF Cc1ccnc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587802782 NRTUVKGXJZPZLO-BMLIUANNSA-N 374.257 4.397 0 1 FIAF CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587814469 ZNTGVLSSEIUOPG-IGGJQXEISA-N 356.279 4.153 0 1 FIAF Cc1ccc(-c2cc(O)n(-c3cccc(Br)c3N)c2O)cc1 587936318 IANQSSYGUVNZPM-UHFFFAOYSA-N 359.223 4.209 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3cc(Br)cnc3[nH]1)CC2 587938433 WMAHXYIRHFMBCG-LLVKDONJSA-N 358.239 4.002 0 1 FIAF CC(C)[C@@H]1C[C@@]2(CS1)NC1(CC1)Cc1ccc(Br)cc12 961615604 QJIJSBFIWSRGKA-RDJZCZTQSA-N 352.341 4.484 0 1 FIAF O=C(O)c1cccc2c1CCN[C@@H]2c1cc(C(F)(F)F)cc(Cl)c1F 963129465 FFWNRWJSHXVSQZ-HNNXBMFYSA-N 373.733 4.431 0 1 FIAF CC[C@@H]1CCC[C@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963172501 DAMWUTCXJXJAHO-OOVXXXAESA-N 361.791 4.363 0 1 FIAF CCN(CC)CCC[C@@]1(C)c2cccc(Br)c2CCN1C 963289968 SKUIBVBFDJKPRR-SFHVURJKSA-N 353.348 4.274 0 1 FIAF Cc1ccn(Cc2ccc(F)cc2)c(=O)c1NC(=O)C1CCCCCC1 1857598863 YNTYFJMXNOGQOD-UHFFFAOYSA-N 356.441 4.253 0 1 FIAF COc1ccc(S(=O)(=O)n2ccc3cccc(-c4ccoc4)c32)cc1 1857754335 GOOKSNICDQMVKN-UHFFFAOYSA-N 353.399 4.147 0 1 FIAF CC[C@H](C)CC(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@H]1[C@@]23C 2356385700 VLPYWBWQNXIXGS-ILTKQKCCSA-N 360.450 4.123 0 1 FIAF CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C=C(C)C[C@H](C)[C@H]1OC(=O)[C@@H]1CC 2356551195 UNBMQQNYLCPCHS-FGDFGSQYSA-N 352.515 4.159 0 1 FIAF CC1=C[C@H](CN(C)Cc2cccnc2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356709244 UXHLQCSYSLXQGJ-NJDAHSKKSA-N 368.525 4.302 0 1 FIAF CCCC(=O)c1c(O)ccc([C@H]2CC[C@@H](O)c3cccc(OC)c32)c1O 2356848319 PDNKITHXMWOSQS-IUODEOHRSA-N 356.418 4.048 0 1 FIAF CC(C)(C)CNc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12 2382239305 WZFRUNIXQIUHMN-UHFFFAOYSA-N 369.778 4.320 0 1 FIAF CCCNC(=O)[C@@]1(C)CCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 61895677 JJBXTURMBLPEOL-INIZCTEOSA-N 362.823 4.097 0 3 FIAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1N 4080503 NIHWNFLXMMPYTE-UXHICEINSA-N 369.465 4.192 0 1 FIAF COc1c(C(C)C)cc2c(=O)cc3c(cc2c1OC)C=C[C@H](O)C3(C)C 14721135 MXUPLQRDHTZMSF-IBGZPJMESA-N 354.446 4.006 0 1 FIAF biogenic CN(C)c1ccc(-c2nc3ncnc(N)c3cc2CCc2ccccc2)cc1 28472569 KEQLQLBJQHZYQF-UHFFFAOYSA-N 369.472 4.125 0 1 FIAF O[C@@H]1[C@@H](N2CCCCC2)CC[C@H]1OCc1ccc(-c2ccccc2)cc1 45168645 GIWGUXYMDHOKPX-YTFSRNRJSA-N 351.490 4.248 0 1 FIAF O=C(O)CCN1CCC(c2ccc(OCCCc3ccccc3)cc2)CC1 59615547 SMCBKGPFQDNWRI-UHFFFAOYSA-N 367.489 4.352 0 1 FIAF Cc1ccc(N2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)c(C)c1 72185911 SXGUGXUTCDGCKQ-UHFFFAOYSA-N 365.452 4.420 0 1 FIAF CC(C)N(C(=O)c1ccccc1OCc1ccccc1)[C@@H]1CCC[C@H](N)C1 96286346 HIMBSBQMUNDJAS-VQTJNVASSA-N 366.505 4.386 0 1 FIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 103918751 PLULYUUDDLRXDH-JLTOFOAXSA-N 371.433 4.118 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(OC)c3)cc2)C[C@@H]2CC[C@@H]1N2C 169311705 YAWYTOJUXFKJAW-WSWWRLHASA-N 365.473 4.102 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@]23CC[C@H]4c5ccoc5CC[C@@]4(C)[C@H]2CC[C@H]1C3 169366003 PTGGVIKFNQSFBY-FUOUJCHUSA-N 358.478 4.210 0 1 FIAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1nc2ccccc2s1 215900989 QPVNRYAZHGWTRF-AWEZNQCLSA-N 368.458 4.177 0 1 FIAF Cc1c(Sc2ccc(OC(F)(F)F)cc2)sc2nc(=N)[nH]c(N)c12 584905223 HDFJEMJYJKUGRK-UHFFFAOYSA-N 372.397 4.044 0 1 FIAF in-vitro Nc1cccc2c1-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586987210 LHWYGCDEHGKCHC-UHFFFAOYSA-N 350.377 4.305 0 1 FIAF COc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1F 587003871 OVAMFJRVDTZIKJ-UHFFFAOYSA-N 361.174 4.016 0 1 FIAF Cc1ncsc1-c1c[nH]cc1-c1nc2c(Br)ccnc2[nH]1 587028325 RHOHXQPTJGVXOT-UHFFFAOYSA-N 360.240 4.147 0 1 FIAF Oc1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183017 ABVLFNMMQPNFGK-FPLPWBNLSA-N 362.170 4.044 0 1 FIAF COc1ccc2c(C)c3c(nc2c1Br)-c1c(N)cccc1C3 587208306 PBSAAKDJUOBQBV-UHFFFAOYSA-N 355.235 4.468 0 1 FIAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587248889 AVHAXBXMOVEHPY-UHFFFAOYSA-N 367.352 4.046 0 1 FIAF Nc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1CC(=O)O 587249873 OTQRXTVIAJIMEZ-UHFFFAOYSA-N 369.730 4.111 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccco1)[C@@H](C2)C3=O 587426510 DARORKFFQNWIJK-HRAATJIYSA-N 350.345 4.119 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)c(O)nc1C)CC2=O 587462928 SSVISCWFFBEDAQ-LJQANCHMSA-N 361.825 4.288 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(O)cc1 587609689 OYDYGHWOWYNLNP-ICSRJNTNSA-N 362.381 4.061 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3cc[nH]c3c2)N1 587801744 HXTKOXJUXTYYHJ-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C=O)cc2)N1 587816647 ZJVGULDEZIAMLY-VOJFVSQTSA-N 362.242 4.198 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2C=O)N1 587847005 VVLSLXVVYRFGKI-GLEZIHRCSA-N 354.244 4.086 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(Cl)ncn1 587861941 YIRUQMLTJFJUCA-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF C[C@@H]1C[C@H]([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)CCO1 962949873 DAQDYRBUERZDIN-HBUWYVDXSA-N 369.427 4.213 0 1 FIAF Cc1ccc(C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 1857615961 OKNBEZYEVDHPNF-UHFFFAOYSA-N 357.519 4.489 0 1 FIAF COc1cc2c3c(n(C(C)=O)c2cc1OC)C=CC(C)=C1C=C(C)O[C]13 2356835724 MOVRCRFIVLZHQL-UHFFFAOYSA-N 350.394 4.476 0 1 FIAF CC(=O)Nc1ccc(OCc2nnc(SCc3ccccc3F)o2)cc1 2382244773 PLHDOBPCQHHPDX-UHFFFAOYSA-N 373.409 4.038 0 1 FIAF COc1cc([C@H](O)c2nc(-c3cc(F)cc(F)c3)cs2)ccc1F 61895361 AOPGNTZXNFBNKZ-INIZCTEOSA-N 351.349 4.318 0 3 FIAF c1nc(NC[C@H]2CCCCO2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 66129384 VNCQRULLEOVGAR-MRXNPFEDSA-N 363.417 4.007 0 3 FIAF CCCC[C@@H]1C(=O)N2N=Cc3ccccc3[C@H]2N2N=Cc3ccccc3[C@@H]12 203465112 MOOKGUYYLTUCJS-ACRUOGEOSA-N 358.445 4.072 0 3 FIAF Ic1cc2c(s1)CCN1Cc3ccccc3C[C@H]21 1857748409 QLDXIRRCSZJNEQ-CYBMUJFWSA-N 367.255 4.008 0 1 FIAF Cc1cc(C)c(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)c(C)c1 1329800 XULSGESQHBAQDL-SFHVURJKSA-N 357.498 4.057 0 3 FIAF CC(=O)O[C@@H]1C=C(C)CC[C@H]2[C@@](O)(C(C)C)CC[C@]2(C)CC=C(CO)C1 2356439154 GKQBGOCRINYHSS-CZYKHXBRSA-N 364.526 4.161 0 1 FIAF COc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccccc2)CC3)cc1 3955717 VVINJBWCHAYUDE-UHFFFAOYSA-N 364.489 4.218 0 1 FIAF CCOC(=O)c1c(-n2ncnc2-c2sccc2C)sc2c1CCCC2 4030604 LFHJVEUHVFYWOH-UHFFFAOYSA-N 373.503 4.421 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](OCCC(=O)O)CC[C@]34C)[C@@H]1CCC2=O 118920104 IHKFDRLOFTXDIY-DMNIQJBYSA-N 362.510 4.458 0 1 FIAF COC(=O)C1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@](C)(CC(=O)O)O2 2356496030 BWADDJDJLUBKIC-IDCXYZFESA-N 364.482 4.105 0 1 FIAF CC(C)(C)c1nnc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)o1 29127481 DVVNNVIBJISNLW-UHFFFAOYSA-N 353.382 4.198 0 1 FIAF Cc1ccc([C@@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)cc1 64549215 VKNQPAPELMPXHY-NRFANRHFSA-N 351.352 4.265 0 1 FIAF CC(C)[C@@H](CO)NCc1nc(-c2ccc(C(F)(F)F)s2)ccc1F 216168278 YSNMVELYCBSTMF-CYBMUJFWSA-N 362.392 4.075 0 1 FIAF O=C(C1CC1)N1Cc2ccc(Br)cc2CCc2ccccc21 36311177 JMIIVOFLEUQZNJ-UHFFFAOYSA-N 356.263 4.491 0 1 FIAF COc1cc2c(cc1OC)[C@H](CCCCN(C)Cc1ccccc1)OC2=O 1911583324 BFOLHWGNFSYYKO-IBGZPJMESA-N 369.461 4.218 0 1 FIAF Cc1ccc(CN2CCC(Cn3c(=O)oc4ccccc43)CC2)c(C)c1 40409034 BWTZBSANBASDDR-UHFFFAOYSA-N 350.462 4.124 0 1 FIAF FC(F)(F)c1cccc(OCCN2CCC(N3CCCCC3)CC2)c1 40834312 YSQWZPCQSYIAQU-UHFFFAOYSA-N 356.432 4.035 0 1 FIAF CC1=C(c2nc(-c3cccs3)cs2)[C@H](c2cccc(O)c2)NC(=O)N1 145383743 UEEGQSOVQGFTHG-INIZCTEOSA-N 369.471 4.362 0 1 FIAF CC[C@@H](C)[C@@H](CNC)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)[C@H](C(C)C)C1 253679072 RJHIDTUVERQXBY-XNZMWDKWSA-N 363.634 4.089 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(F)c2)N1 587730168 IWPAHMXXVLTTBI-PWJLMRLQSA-N 356.185 4.490 0 1 FIAF C[C@@]1(Cc2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611381 IFRVTWNEKMBHGZ-XLIONFOSSA-N 352.411 4.417 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2o1 587588960 VTXLVOFNBRLSLA-PXNSSMCTSA-N 359.337 4.236 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](CC1CCC3(CC1)OCCO3)CC2=O 587485721 JSXOGOPHNJUYAE-OAHLLOKOSA-N 360.450 4.002 0 1 FIAF CCCCn1nc(C)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421143 TXXZEOVRMIQSBW-BFUOFWGJSA-N 360.841 4.142 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccnc2Cl)N1 587714664 AYRLQXDWLVGOKQ-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(CCO)cc2[nH]1 587044857 UTSFHLRLEXJOLS-UHFFFAOYSA-N 367.232 4.089 0 1 FIAF Cc1ccc2[nH]nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587798685 VFEXHBCPNVJLKG-QGHHPUGFSA-N 374.257 4.397 0 1 FIAF Cc1nn(CCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1Cl 587873407 AVCVULDWOQMMBZ-UHFFFAOYSA-N 360.776 3.992 0 1 FIAF Cc1c(Br)cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2c1C 587022809 ZDHJVOUTNKFEIC-MRVPVSSYSA-N 352.257 4.119 0 1 FIAF COc1ccsc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610469 CIQOSTZLKZWHJT-OXQOHEQNSA-N 368.410 4.339 0 1 FIAF C[C@H](CC1CCOCC1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610280 PQULSYOYPAZNHO-YFYZNPQRSA-N 368.429 4.175 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]2(C[C@@H](C)CC(=O)O)c1ccccc1 963268918 BEZMSUYSHXYRCW-QKKBWIMNSA-N 373.880 4.239 0 1 FIAF O=C(NCc1ccccn1)c1cccc(-c2cccc(C3CCNCC3)c2)c1 1772645072 CTJCMSXNCDUCLG-UHFFFAOYSA-N 371.484 4.146 0 1 FIAF COC1(c2cc(F)cc(OCc3ncc4ccccc4n3)c2)CCOCC1 13725454 DKYBYGHHMXNNRM-UHFFFAOYSA-N 368.408 4.000 0 1 FIAF COc1cccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)c1 14977025 MAXOZDRPHKQHJD-INIZCTEOSA-N 356.418 4.048 0 1 FIAF COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)c1 166217712 ZICLDNWWSURTRA-UHFFFAOYSA-N 367.474 4.408 0 1 FIAF CC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nc(N)ns4)cc23)n1 204757805 VVHKRQILCVGPQL-UHFFFAOYSA-N 351.435 4.118 0 1 FIAF CC(C)(C)C(=O)Nc1ccc2nc(O)n(CCC3CCCCC3)c(=O)c2c1 1857540167 KDNQLBLBOGXAFY-UHFFFAOYSA-N 371.481 4.057 0 1 FIAF COc1cc(OC)c(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1Cl 2468476 HQNSHDUQDUAOTB-ORAYPTAESA-N 374.824 4.127 0 1 FIAF CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12 6748811 SSLQTBPFFCJTPB-UHFFFAOYSA-N 353.422 4.495 0 1 FIAF Cc1c(C(=O)NN2CCCCC2)nn(C2CCCCC2)c1-c1ccccc1 13472855 VMQKJBAFCRNHRE-UHFFFAOYSA-N 366.509 4.494 0 1 FIAF O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 13561282 IFUDRLSXETXJHT-DBXWQHBBSA-N 352.522 4.399 0 1 FIAF COc1c2c(cc3c1[C@@H]1Oc4cc(O)ccc4[C@H]1CO3)OC(C)(C)C=C2 14613200 OHJQLSXZAOJGEK-JLTOFOAXSA-N 352.386 4.195 0 1 FIAF biogenic CCC(=O)N1c2c(OC)cccc2[C@]23CCN4CCC[C@](CC)(CC[C@@H]12)[C@H]43 14857311 CIQNQSRBNFTNRL-YJSIEXFISA-N 368.521 4.117 0 1 FIAF biogenic Cc1cc2c(C)c(Cc3ccccc3)c(=O)oc2cc1OC(=O)N(C)C 26480681 ZHENAEQXRQAETJ-UHFFFAOYSA-N 351.402 4.061 0 1 FIAF O[C@@](Cn1ccnc1)(c1ccc(F)cc1)c1ccc(-c2ccccn2)cc1 26846559 JHFXKTQDNCMKJC-JOCHJYFZSA-N 359.404 4.020 0 1 FIAF CCCC[C@@H](c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1 28817197 OCQQXUAEVBSCMZ-QFIPXVFZSA-N 352.522 4.360 0 1 FIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(Br)ccc21 28964609 NAEMZEHAVXOQSK-OAHLLOKOSA-N 371.238 4.134 0 1 FIAF Cc1cc2c(s1)c1cnn(Cc3ccc(C(C)C)cc3)c(=O)c1n2C 36380384 LFMUGBACJPNUBD-UHFFFAOYSA-N 351.475 4.430 0 1 FIAF CCS(=O)(=O)c1ccc2oc(-c3ccc(Br)cc3)nc2c1 40874387 SZBRRPBRDNPQBW-UHFFFAOYSA-N 366.236 4.051 0 1 FIAF CCOc1ccc(-c2nc(CNCc3cc(OC)cc(OC)c3)co2)cc1 72184331 CWJUJIUIBKCEFO-UHFFFAOYSA-N 368.433 4.047 0 1 FIAF CC(=O)Nc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 95590625 QVFDWLFJHGRHCK-UHFFFAOYSA-N 355.401 4.394 0 1 FIAF C[C@@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](N)C[C@]1(c1cccc(O)c1)C2 100918795 DBPFGWTUHBQYTM-QBTGUUFSSA-N 364.533 4.094 0 1 FIAF O=C(CN1CCC(Cc2ccc(F)cc2)CC1)c1c[nH]c2cc(O)ccc12 103227670 POYXMRJSOXWZDE-UHFFFAOYSA-N 366.436 4.150 0 1 FIAF O=C(O)c1cc2sc(=Nc3ccc(Cl)cc3Cl)[nH]c2cc1O 473084954 UYKYLQAFHAERBN-UHFFFAOYSA-N 355.202 4.172 0 1 FIAF C[C@@H](O)c1ncc(-c2nc3cc(Cl)cc(Br)c3[nH]2)s1 587021295 HDJIUQMIOBFETD-RXMQYKEDSA-N 358.648 4.156 0 1 FIAF Nc1ncnc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc12 587060253 HUSXCVVXQPATLF-UHFFFAOYSA-N 372.819 4.471 0 1 FIAF C[C@@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)c1ccccc1C(F)(F)F 587099028 VYEFLSQHJXSYTQ-SNVBAGLBSA-N 368.380 4.137 0 1 FIAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccnc(OC)c3[nH]2)c1 587158346 CSRVOSNQJHKXIV-UHFFFAOYSA-N 363.392 4.372 0 1 FIAF O=C(CCc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(F)cc1 587162202 IDSPNKQROIEYOK-UHFFFAOYSA-N 365.177 4.419 0 1 FIAF C=CC(=O)Nc1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1 587244648 QUIOLBXGVHUQIE-UHFFFAOYSA-N 356.223 4.425 0 1 FIAF Nc1cccc(C(=O)O)c1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587249175 CZEWTYZWRPHKGN-UHFFFAOYSA-N 359.385 4.089 0 1 FIAF Cc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587334014 DKEFJYYGRIPRKF-RXVVDRJESA-N 367.376 4.410 0 1 FIAF COC(C)(Cc1ccccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)OC 587401045 PONPFXSPIGTSHY-NRFANRHFSA-N 369.461 4.009 0 1 FIAF CSC(=C[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1)SC 587408681 HQJRNQQLQDTCEB-IBGZPJMESA-N 372.515 4.400 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4cccn4)cc1Cl)[C@@H](C2)C3=O 587418527 IVTASHPWKOZCTR-MGPUTAFESA-N 366.804 4.023 0 1 FIAF COC1=C(Br)[C@@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587501195 ZRHDMZBAUMKZLH-GOSISDBHSA-N 363.251 4.316 0 1 FIAF O=C1C[C@H](c2cccc(N3CCOCC3)c2)Oc2c1ccc1c2CCCC1 587518455 IOTVWDKQAMYCLG-JOCHJYFZSA-N 363.457 4.109 0 1 FIAF Cc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615310 WBCYJUMQZFULGV-MAUKXSAKSA-N 353.399 4.168 0 1 FIAF COC(=O)c1ccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)cc1 587626292 FQTUDENBPGJDMT-UHFFFAOYSA-N 356.809 4.477 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(C(C)(C)C)N1 587742159 QGKBDIHCBUSTDD-KBKKWDIXSA-N 369.322 4.439 0 1 FIAF Cc1cccc2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n12 587775204 PQMMVUWDJRBGBF-YPMLDQLKSA-N 374.257 4.168 0 1 FIAF Nc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1N 587785241 ZGUNRJHMPOXJTB-DHZHZOJOSA-N 356.429 4.477 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2CC2)(C2CC2)N1 587815972 RXCFHEAYQAROPP-MLCYQJTMSA-N 366.274 4.097 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3CCc4ccc(OC)cc4C3)nc2c1 587936459 CXIXEZFFYJNQAY-LBPRGKRZSA-N 370.836 4.284 0 1 FIAF CCCCNC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 653795637 IXPDXQZGPNEIRS-SXWKCWPCSA-N 373.537 4.226 0 1 FIAF CC(=O)OC[C@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962704747 HIOAOPXOPFCUOG-NRFANRHFSA-N 367.470 4.206 0 1 FIAF Cc1ccc(S(=O)(=O)c2cc3cc(Br)ccc3n2C)cc1 1857603433 JUYZWNJSYIIUEG-UHFFFAOYSA-N 364.264 4.082 0 1 FIAF COc1ccc(-c2cn3cc(CCc4ccccc4)cc(N)c3n2)cc1OC 1857638658 IYNCZUSDECXULG-UHFFFAOYSA-N 373.456 4.386 0 1 FIAF COc1ccc(CCNC(=O)NC(=O)c2cccc(-c3ccccc3)c2)cc1 1857653849 HOKOYXOUMZZIAA-UHFFFAOYSA-N 374.440 4.044 0 1 FIAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@H]41)CC[C@H]1CN4CC(C)=C[C@]42CC[C@@]13C 2356834177 KLTZBLMGSVQGJW-ZNNMUCEXSA-N 353.506 4.097 0 1 FIAF c1ccc(-c2ccc3c(c2)C[C@@H](CN2CCN(c4ccccc4)CC2)O3)cc1 2382228005 WKZKDHYYDPAMKB-DEOSSOPVSA-N 370.496 4.479 0 1 FIAF CS(=O)(=O)c1ccc(C2=C(c3ccc4c(c3)OCO4)CC3(CC3)C2)cc1 3814538 MUBCEZUXQKGARZ-UHFFFAOYSA-N 368.454 4.304 0 1 FIAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215158 RZYUDLQJUQIDHN-FIRPJDEBSA-N 374.525 4.224 0 1 FIAF Fc1ccc(CN2CCN(c3nc4ccsc4n4cccc34)CC2)cc1 13755932 ANJGZJUIHVVPCI-UHFFFAOYSA-N 366.465 4.010 0 1 FIAF CC[C@@H](O)CCCCCCCC[C@H](Cc1cc(O)cc(O)c1)OC(C)=O 14772401 NNSXNUFHPOAPLQ-WIYYLYMNSA-N 366.498 4.464 0 1 FIAF biogenic CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26391669 ZOIUUCNFVDJSJK-IRNKEPLNSA-N 374.569 4.039 0 1 FIAF Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(O)c4)cc3)c12 28604315 OPTYQCYBVIBKCC-UHFFFAOYSA-N 359.389 4.162 0 1 FIAF N=C(Nc1ccc2[nH]cc([C@@H]3CN4CCC3CC4)c2c1)c1cccs1 34806402 BORQIBNGMHXAJX-QGZVFWFLSA-N 350.491 4.476 0 1 FIAF O[C@]1(Cc2ccccc2Cl)c2cc(Cl)c(Cl)cc2C2=NCCN21 34821410 CNMJEZRTSITUHZ-QGZVFWFLSA-N 367.663 4.110 0 1 FIAF COc1ccc(CCN2C(=O)CS[C@@]2(C)c2ccc(C)c(C)c2)cc1 38149934 JZFNWTIJEGVREY-NRFANRHFSA-N 355.503 4.303 0 1 FIAF N[C@@H]1CCN(Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1 45202749 PTHGMKSMLXDPEX-OAQYLSRUSA-N 368.484 4.430 0 1 FIAF NCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)cc2)C1=O 45258727 NRLVNAJFWKTAQN-WJDWOHSUSA-N 358.850 4.002 0 1 FIAF COc1ccc2nc3c(cc2c1)C=NN=C(Nc1cccc(F)c1)S3 98082444 VOZNJCDSEGDFFZ-UHFFFAOYSA-N 352.394 4.290 0 1 FIAF O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1 253684404 LDQTVSTXBDCFCN-RAWXMELESA-N 374.484 4.329 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586884803 IYRLTRDVYGWGFK-JLTOFOAXSA-N 352.821 4.374 0 1 FIAF Cn1cc(Cl)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586984898 BUHGDYBDWNBPRG-UHFFFAOYSA-N 361.788 4.206 0 1 FIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 587043495 RQQNFFSPYHEFRN-SNVBAGLBSA-N 373.400 4.082 0 1 FIAF COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1C 587204462 KAJROTZCJLTPAH-INIZCTEOSA-N 361.486 4.362 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)c(C=O)c(Cl)n3C)O2 587380049 ORQSBWBGOCSPRO-GOSISDBHSA-N 368.820 4.241 0 1 FIAF CCCCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587402338 XPYBFIUFXZZFJM-IBGZPJMESA-N 355.434 4.471 0 1 FIAF CCN(CC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587431218 ZVNSNGHQHBZIEO-VGSWGCGISA-N 367.445 4.039 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1sc(Br)cc1C)[C@@H](C2)C3=O 587452918 QCYVJBDZSAOOTE-ZUZCIYMTSA-N 365.248 4.316 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(OC)c(O)c1)CC2=O 587476095 DBJKWJMYGFFDRF-QFIPXVFZSA-N 370.445 4.416 0 1 FIAF C[C@@]1(c2cc(Cl)ccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545506 GWOOUAXLLJORJM-XLIONFOSSA-N 367.788 4.318 0 1 FIAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587610494 GGXKSLXNFUFSMP-PXNSSMCTSA-N 367.426 4.223 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2Cl)N1 587692004 AIJNQWMBAQDZLQ-VXJOIVPMSA-N 355.638 4.260 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(O)cc2F)N1 587721956 XFCPDYMHSKNDCR-QZTNRIJFSA-N 372.184 4.196 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(C(C)(C)C)N1 587740304 JEQRGHOHAUWWGV-CGTXMDDLSA-N 369.322 4.439 0 1 FIAF Cc1ccc2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2c1 587776951 ZHSRPVWDPQJYHC-BBATYDOGSA-N 374.257 4.168 0 1 FIAF CC(C)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 587793852 LVPYHYWHZIXHOJ-FVMDXXJSSA-N 353.235 4.323 0 1 FIAF Cc1cc2c([nH]1)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587800610 BXAGFWCBANGBLI-ADLMAVQZSA-N 363.274 4.339 0 1 FIAF O=C1CCC(c2ccccc2)(c2nc3cc(C(F)(F)F)cnc3[nH]2)CC1 587971152 UXFIPNHZYWKADX-UHFFFAOYSA-N 359.351 4.406 0 1 FIAF COc1ccc2c(c1)[C@H](c1ccn(CC3CCCCC3)n1)N[C@@H]1CC[C@H]21 962995962 NUCUXKAATCIRKC-SYYKKAFVSA-N 351.494 4.411 0 1 FIAF Cc1cc(OCC(=O)NC2CC2)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857580013 ZZSMLTMKEKIAOP-UHFFFAOYSA-N 367.489 4.381 0 1 FIAF Cn1cnc2c(N3CCCCC3)nc(-c3cc(Cl)ccc3Cl)nc21 1857613632 ABLJHTFDHSEEFZ-UHFFFAOYSA-N 362.264 4.327 0 1 FIAF COc1cc(F)c(-c2c(C)nn3c(C(F)(F)F)cc(C)nc23)c(F)c1 1857633282 BMRIPGPHKZAYRU-UHFFFAOYSA-N 357.282 4.319 0 1 FIAF C[C@]12CCC=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 2356548997 NIPQNFNROARCSF-IRYSOFJSSA-N 354.490 4.330 0 1 FIAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CCCC[C@H](O)C=C2 2356763673 RDUZQLUQTGZOSA-INIZCTEOSA-N 356.418 4.302 0 1 FIAF CCCCCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1 3629211 KFBNGMNFTBXDNQ-UHFFFAOYSA-N 350.466 4.436 0 1 FIAF COc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C(F)(F)F)c2c1 13740887 SQUTYNCSKUUFJM-UHFFFAOYSA-N 362.351 4.065 0 1 FIAF O=C1C[C@@]2(CCCc3ccccc32)OC(=O)[C@@H]1SCc1ccccc1 13766446 OAFGWMQMAKOFHH-TZIWHRDSSA-N 352.455 4.036 0 1 FIAF CCCC(=O)c1c2c(c(O)c3c([C@@H](O)CC)cc(=O)oc13)C=CC(C)(C)O2 14765959 GMJLNBCEVMSTTL-ZDUSSCGKSA-N 372.417 4.109 0 1 FIAF biogenic,in-vitro Cc1cc(Cl)cc(Cl)c1C/N=c1\c(O)c(O)\c1=N/[C@@H](C)C(C)(C)C 28230515 JOOGZNGUVAKMRQ-WNCPNSRXSA-N 369.292 4.025 0 1 FIAF Cc1ccc(Sc2ccccc2N2C[C@@H](C)N(CC(=O)O)C[C@@H]2C)cc1 28364060 LYXNCDUSNBFCIB-SJORKVTESA-N 370.518 4.130 0 1 FIAF c1ccc(-c2nc(CN3CC[C@]4(CCCN(CC5CC5)C4)C3)co2)cc1 39552364 OVYAJPZXAFAJRL-QFIPXVFZSA-N 351.494 4.040 0 1 FIAF CC(C)(C)c1cc(-c2cc(CO)c(O)c(C(C)(C)C)c2)cc(CO)c1O 40829279 WMODDSRVALOZNV-UHFFFAOYSA-N 358.478 4.344 0 1 FIAF Cc1ccc(C(=O)NCC(C)C)cc1-c1ccc(C(=O)NCC2CC2)cc1 40918725 ZJINMBRTUAKBIE-UHFFFAOYSA-N 364.489 4.188 0 1 FIAF Cc1ccc(C[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1F 45201010 VSGMTGSXRLQYAL-SCLBCKFNSA-N 355.375 4.407 0 1 FIAF O=C(O)C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2ccccc2c1 49793884 ZYFOGIZDBANPAZ-LJQANCHMSA-N 367.832 4.309 0 1 FIAF O=C(NCCNc1ccnc2cc(Cl)ccc12)Nc1ccc(F)cc1 58582819 GCWUADMDCHNCOO-UHFFFAOYSA-N 358.804 4.261 0 1 FIAF O=C(O)C[C@H]1COc2cc(OCc3csc(-c4ccccc4)n3)ccc21 59570225 BNZSYMKLXOOXNY-AWEZNQCLSA-N 367.426 4.340 0 1 FIAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1cc(OC)c(F)cc1n2CCF 73197022 QMMGEIMAWWFSFZ-CYBMUJFWSA-N 364.436 4.047 0 1 FIAF CC(C)n1nc([C@@H](F)c2cccc(Cl)c2Cl)c2c(N)ncnc21 95584509 FXQADKIFVJVYPU-LBPRGKRZSA-N 354.216 4.355 0 1 FIAF O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 100106546 LKTDHTPSJCSYSJ-AEPBOKNGSA-N 372.512 4.313 0 1 FIAF CCC(=O)N1[C@H]2CC[C@H]1[C@H]1CC[C@@H]2N1C/C=C/c1cccc2ccccc12 100817555 RLLOCRZIVJPXPL-LLKKCLNZSA-N 360.501 4.469 0 1 FIAF Nc1ncc(-c2cc([C@H]3CCOC3)n([C@@H]3CCC(F)(F)C3)n2)cc1Cl 146512000 STCUXMPUBAGDFS-CMPLNLGQSA-N 368.815 4.045 0 1 FIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)ccc2S[C@@H]31 220422412 BQAQRZXLSOPKCM-IBGZPJMESA-N 354.406 4.118 0 1 FIAF C[C@H]1CN(CCCc2ccccc2)[C@H]2C[C@@H](N)C[C@@]1(c1cccc(O)c1)C2 253637773 DBPFGWTUHBQYTM-STCFVSJZSA-N 364.533 4.094 0 1 FIAF O=C1c2ccoc2CC[C@H]1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 586908700 UBNLMXFGCZDBPL-VIFPVBQESA-N 350.296 4.042 0 1 FIAF O=C(O)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914347 CHHVUUQPLDVMQE-UHFFFAOYSA-N 374.352 4.029 0 1 FIAF CC(C)Oc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966991 OMFYPKGXFMSNAY-UHFFFAOYSA-N 367.434 4.087 0 1 FIAF COc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2n1 587065408 ZGDOJDUBWOUDDE-UHFFFAOYSA-N 355.781 4.459 0 1 FIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587068560 CPSMYICSRMVFEG-NSHDSACASA-N 367.836 4.478 0 1 FIAF NC(=O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163438 ISLXAHGCBDAMBC-XNTDXEJSSA-N 363.417 4.451 0 1 FIAF Fc1nc(Cl)ccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587177663 SJIATEFBBFDNMX-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@H]2c3nc4cccc5c4c(c3CC[C@H]21)CC5 587211504 FWZDAPQOEYAUGP-SJLPKXTDSA-N 350.462 4.373 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(O)cc(OC)cc1Cl)CC2=O 587460581 NNPMRJWGTSGTLF-KRWDZBQOSA-N 362.809 4.419 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)N(Cc2ccccc2)C1 587481053 XOQFEGBQCNSCGL-QMHKHESXSA-N 365.473 4.343 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)C(C)(C)[C@@H]1C)CC2=O 587491384 UWUQXAJEBIOJFQ-QURLWZIUSA-N 360.450 4.206 0 1 FIAF C[C@@]1(c2nc3ccc(F)cc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 587508210 OIDSXKJMAJPMPS-NRFANRHFSA-N 350.393 4.461 0 1 FIAF C[C@H]1CCCCN1C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517980 YEFXRJHJCZBVEK-NYHFZMIOSA-N 355.478 4.080 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(Cl)c1 587549275 ZEUUAMMZPUNBTL-YLJYHZDGSA-N 368.772 4.454 0 1 FIAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587585598 FBVAZCIIXHGFTO-KNQAVFIVSA-N 361.397 4.281 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1scnc12 587616032 ATLSGPZKPKLISR-OXQOHEQNSA-N 365.410 4.042 0 1 FIAF CC(C)Cn1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587763629 KQEHFAUJBYYSDL-DIFFPNOSSA-N 366.278 4.064 0 1 FIAF CC(C)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)co1 587776966 ZJDHUMBAEIDFLD-PSLIRLAXSA-N 353.235 4.323 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(F)c(Br)c2)N1 962947489 NPBDKHPZEODFQS-BDJLRTHQSA-N 374.257 4.478 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC)c1cc(C(=O)OC)n(C)c1 963233470 ULYLSNSNTRWOIZ-AOMKIAJQSA-N 354.494 4.122 0 1 FIAF COc1ccc(Nc2c(-c3ccc4nccn4c3)nc3ccccn23)cc1 1857545274 FUQNWLVWUXWCGM-UHFFFAOYSA-N 355.401 4.401 0 1 FIAF CCN(CC)Cc1cccc([C@@H]2CC(=O)c3cc(OC)c(OC)cc3O2)c1 1857657062 XWNQMRQGBQDVTF-IBGZPJMESA-N 369.461 4.252 0 1 FIAF O=C(NC1CCCC1)[C@@H](C1CC1)n1c(-c2ccncc2)nc2ccccc21 199235655 XVCGHYCTMVAPMU-HXUWFJFHSA-N 360.461 4.108 0 3 FIAF CCc1nn(Cc2ccc(Cl)cc2)c(=O)c2cc3cc(C)ccc3n12 6803427 UTSAASPOEVXCEH-UHFFFAOYSA-N 351.837 4.222 0 1 FIAF OC[C@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1cc(Cl)cc(Cl)c1 13783045 ULBNKSMBQPHNIA-FGTMMUONSA-N 351.229 4.429 0 1 FIAF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CO)cc23)C1(C)C 14975862 QCHYCIPXDVXRRX-UHFFFAOYSA-N 369.505 4.425 0 1 FIAF COc1cc2nc(SC/C=C/c3ccccc3)oc(=O)c2cc1OC 27527251 KJIKIYFTWSONGO-RMKNXTFCSA-N 355.415 4.011 0 1 FIAF COc1c(O)ccc([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c1O 33832510 SBQBKTSYEKPBJF-ZDUSSCGKSA-N 354.402 4.009 0 1 FIAF biogenic,in-vitro CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC)nc1OC 40380366 LKTBSSGEJIYZSC-UHFFFAOYSA-N 359.470 4.104 0 1 FIAF O=C1C(c2ccc(Oc3ccccc3)cc2)=[N+]([O-])c2cc3c(cc21)OCO3 45245889 JNMYTAOKGYVCRG-UHFFFAOYSA-N 359.337 4.035 0 1 FIAF CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@]1(C)c1ccc(Cl)cc1 49054280 ZIJDTNBYHCZEEG-QGZVFWFLSA-N 363.870 4.333 0 1 FIAF CCNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 101115007 RVWFZRGYOXCUSN-WPYKKVEZSA-N 368.521 4.263 0 1 FIAF COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)ccc1O 104070679 DPBPPEWUJSYTRP-IBGZPJMESA-N 371.433 4.161 0 1 FIAF COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1OC 137108663 HOEXVZGRLZDKIW-PTJRHCKPSA-N 374.477 4.484 0 1 FIAF Cn1nc2c(c1Cc1ccccc1)-c1nc(Nc3ccccc3)ncc1CC2 169702216 QDXAVFGXQMMRLZ-UHFFFAOYSA-N 367.456 4.310 0 1 FIAF COc1cccc2c(NCc3ccccc3)nc(-n3c(C)nc(C)c3C)nc12 219011446 CXXFPHFYOIBUAH-UHFFFAOYSA-N 373.460 4.361 0 1 FIAF CC[C@@H]1CC[C@H]2c3c(O)nc(-c4ccc5c(c4)OCCO5)nc3S[C@H]2C1 253638104 GFCJYZOTVBIKKT-KFNAQCHYSA-N 370.474 4.388 0 1 FIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 586886916 GYYZAQMGRVAGRZ-LDYMZIIASA-N 370.762 4.122 0 1 FIAF Oc1ccc(-c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc1 586897561 FZGBHAPJJBMAJK-UHFFFAOYSA-N 356.307 4.363 0 1 FIAF O=C1c2ccccc2-c2cc(-c3ccnc(Cl)n3)nc3ccc(O)c1c23 586987242 URSVHURCZAUQOS-UHFFFAOYSA-N 359.772 4.262 0 1 FIAF Clc1ccc(CN2CCC[C@H]2c2nc3cc4cn[nH]c4cc3[nH]2)cc1 587074499 AUUDPLKUVUCLJZ-SFHVURJKSA-N 351.841 4.430 0 1 FIAF COC(=O)c1cccc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c12 587097108 FCIWAFWRPYNEOT-UHFFFAOYSA-N 350.296 4.044 0 1 FIAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587156547 VDWNPLNSCBHHKS-CQSZACIVSA-N 358.369 4.027 0 1 FIAF C[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171997 CYQIFTOTBWEUDC-MRXNPFEDSA-N 366.179 4.032 0 1 FIAF O=NCc1ccc(-c2nc3c(I)cccc3[nH]2)cc1 587190785 RCJULFGWFKXDAT-UHFFFAOYSA-N 363.158 4.101 0 1 FIAF CCCOc1cc2nc(-c3c(N)cccc3O)[nH]c2cc1Br 587250819 SBPNZKSDBMDEIS-UHFFFAOYSA-N 362.227 4.069 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCc3cc[nH]c32)[C@H]1c1ccc(F)cc1 587344936 HWHKBLOSOMAYRA-SIKLNZKXSA-N 363.388 4.450 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(Cc3ccccc3C2=O)[C@H]1c1ccc(F)cc1 587347441 AWXGDSUHHPCHQI-REWPJTCUSA-N 374.367 4.068 0 1 FIAF COc1cccc(-c2cc(CN(C)CCO)nc3c2oc2ccccc23)c1 587360192 KRWHIWJKCNGRFC-UHFFFAOYSA-N 362.429 4.081 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C)C(=O)O)(c1ccc(Cl)cc1)O2 587376456 CZSSQSRSTNAHJU-MPBGBICISA-N 373.836 4.202 0 1 FIAF CC(C)(C)OC(=O)NCC1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587509489 DCTHXGWHYOSLSK-UHFFFAOYSA-N 371.477 4.204 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)ccc1F 587568448 LXEYCEPSWKUYNP-DNVCBOLYSA-N 371.751 4.283 0 1 FIAF CC(C)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 587792278 HRPWWRPTEWWHJW-ABKXIKBNSA-N 352.251 4.058 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2NCC3)N1 587797362 SCBHGZNTOCGIPR-XTZNXHDOSA-N 361.258 4.180 0 1 FIAF CCC[C@@H]1C[C@@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587831647 IKYODXXCNVLUJR-CJBNDPTMSA-N 356.279 4.297 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2)N1 587832990 LSMYWHFJTJSDGW-DYZYQPBXSA-N 350.231 4.092 0 1 FIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587934670 DQNZITMKPJBQDU-ZKANADHPSA-N 352.768 4.340 0 1 FIAF CN1C(=O)C[C@H]2CN[C@@](C)(c3cc4ccc(F)c(F)c4o3)c3cccc1c32 963033692 UGIAGLAUNVXHKT-LAJNKCICSA-N 368.383 4.028 0 1 FIAF CC(C)c1ccc2c(c1)[C@]1(CCCO2)NCCc2c(C(=O)O)cccc21 963126732 XMFJWGGOQGGBKL-JOCHJYFZSA-N 351.446 4.070 0 1 FIAF CN1CCc2c(Br)cccc2[C@@H]1c1cccn1-c1ccncc1 963279015 DUHPSVNZQNGVIA-LJQANCHMSA-N 368.278 4.212 0 1 FIAF CC(=O)[C@H](C)n1c(=O)nc(-c2ccccc2)c2c3c(sc21)CCCC3 1857599127 PGKNAWOOIJAHOP-LBPRGKRZSA-N 352.459 4.154 0 1 FIAF CCOc1cccc(Nc2nc3nonc3nc2Nc2ccccc2F)c1 1857600846 DPBWBPIYWKTYAK-UHFFFAOYSA-N 366.356 4.038 0 1 FIAF Cc1cc(OCCN(C)C)cc2c1[C@@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@H]1C=C2 1857618461 ILXJTEJGVQLLHQ-SRYPRDQNSA-N 353.506 4.441 0 1 FIAF COc1cc2ncnc(N3CCc4ccccc43)c2cc1NC(=O)C=C(C)C 1857635020 KWPBZPKJALCDDJ-UHFFFAOYSA-N 374.444 4.237 0 1 FIAF COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@@]12C 2356639126 FQTXLEJDKGILIT-UKFDBNNRSA-N 372.505 4.454 0 1 FIAF COc1ccc([C@@H]2C[C@@H](c3ccccc3OC(F)F)Nc3ncnn32)cc1 2919715 KKMFBYMQGPDOBM-HOTGVXAUSA-N 372.375 4.034 0 1 FIAF O=c1cc(-c2ccc3c(c2)OCCO3)oc(O)c1SCc1ccccc1 6580397 ZWZFDBPAUNAQSF-UHFFFAOYSA-N 368.410 4.076 0 1 FIAF Cc1nc2cccnc2n1-c1ccc(CC(=O)NCCC2=CCCCC2)cc1 6900832 MUFAWTLXGLVHMB-UHFFFAOYSA-N 374.488 4.278 0 1 FIAF Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccccn2)C1 8636277 WQYBTEWNHIRFQE-IEBWSBKVSA-N 362.452 4.225 0 1 FIAF biogenic CC1(C)CCC[C@@H]1CNC(=O)c1ccc(-c2nc(CC3CC3)no2)cc1 13864692 VUAVVASOIWWPDG-QGZVFWFLSA-N 353.466 4.245 0 1 FIAF COc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1Cl 35013143 DOUHSGTYZGUXDN-IBGZPJMESA-N 350.842 4.116 0 1 FIAF COCc1cc2c(s1)CN(C)C[C@@H]2c1ccc(Br)cc1 38157543 IIWILZXBPWXHAP-OAHLLOKOSA-N 352.297 4.234 0 1 FIAF Cc1cc(NCCC(=O)Nc2ccccc2)nc(NCC2CCCCC2)n1 45227600 WMZHGOXUDYDPHL-UHFFFAOYSA-N 367.497 4.218 0 1 FIAF O=C(O)CC1CN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64436496 SECVFAJWTWEYDD-QPPBQGQZSA-N 361.485 4.030 0 1 FIAF C[C@H](NCCN(C)C)[C@@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 84687325 OQLPSYJNZRYLOQ-UONCKOPHSA-N 370.581 4.404 0 1 FIAF O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccccc1O 95580654 ZTLHNGCVRZQIRX-UHFFFAOYSA-N 368.264 4.000 0 1 FIAF in-vitro C[C@H](Sc1ccc2nnc(-c3cccc(Cl)c3)n2n1)c1ccn[nH]1 95603489 BYVKSUZLHSOAJT-JTQLQIEISA-N 356.842 4.021 0 1 FIAF CCOC(=O)N1C(=O)C2(CCCCCC2)N(c2ccc(C)cc2)C1=S 95872338 NMAMZJBZBXZZMK-UHFFFAOYSA-N 360.479 4.178 0 1 FIAF CCOC(=O)[C@H]1[C@@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1ccccc12 100665537 SZFUOECQXGHHAE-PEHAOLQFSA-N 361.463 4.052 0 1 FIAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@H](C2)[C@H]1[C@H](C)[C@@H](C)C(=O)C3 101792269 TXKQIJMFIKPRKR-NLMDCQQRSA-N 367.533 4.225 0 1 FIAF CC[C@H]1[C@H](C)C(=O)C[C@@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 102188904 QFHHXPQTADJUKH-HAWZXYJPSA-N 367.533 4.312 0 1 FIAF CC(C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(/C=C/C(=O)O)cc1 263621175 WHZIOQODOSOYPX-DGIIRHPGSA-N 365.473 4.482 0 1 FIAF in-vitro CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 299883791 RZYUDLQJUQIDHN-QYRPDUKASA-N 374.525 4.224 0 1 FIAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)ncc3[nH]2)s1 587015125 XUPWSFSBMJDOGF-MRVPVSSYSA-N 367.272 4.250 0 1 FIAF Clc1ncc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2n1 587064272 HQLXCIXUBRKWAU-UHFFFAOYSA-N 361.188 4.499 0 1 FIAF Nc1ccc(-c2ccc3nc(-c4cc(F)c(F)c(N)c4F)[nH]c3c2)cc1N 587137122 UQVYLITWARPFER-UHFFFAOYSA-N 369.350 4.061 0 1 FIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(Cl)c(Cl)cnc2[nH]1 587174897 NOVFCSNQBNEUPR-NSHDSACASA-N 364.211 4.128 0 1 FIAF C[C@]1([C@@]2(C)CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357633 UVIFULRAKXDEDA-TYPHKJRUSA-N 356.393 4.218 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Br)cc1Cl)O2 587373463 QVHWNHUYXYGUFJ-CYBMUJFWSA-N 367.630 4.095 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)nc(N3CCCC3)c1)CC2=O 587472614 SDLHFDOROBPOAB-GOSISDBHSA-N 370.424 4.186 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(O)cc2F)N1 587720983 UWHSZGFJCQEPBM-GYKQLYQFSA-N 372.184 4.196 0 1 FIAF COc1ccc(F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587735583 XYOLFGFFDUOHGJ-HUTHGQBESA-N 368.221 4.360 0 1 FIAF CCOC1=C(C)[C@@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587801375 KWTUFZPWHCQKJO-DYZYQPBXSA-N 354.263 4.422 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C=O)cc2)N1 587816648 ZJVGULDEZIAMLY-ZMZPIMSZSA-N 362.242 4.198 0 1 FIAF CCc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587852196 FBAXYCTYLLSHEJ-ANRSDYALSA-N 355.276 4.231 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc(Cl)c1 587868688 RPZPCRQQAPJXGF-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc2n1 587931810 NCLXSVSCYCPXIJ-UHFFFAOYSA-N 359.385 4.087 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 587952382 PSSHJYYZBVPULE-LBTNJELSSA-N 364.511 4.403 0 1 FIAF CN(O)c1ccc([C@H]2c3ccsc3CCN2Cc2cccn2C)cc1 962398932 OGCSVHNPOFHKAN-FQEVSTJZSA-N 353.491 4.060 0 1 FIAF Cc1c(C(=O)OC2C[C@@H]3CCC[C@H](C2)N3C)c2ccccc2n1CCF 1772573244 PAFKEMDUIAFUOD-SJPCQFCGSA-N 358.457 4.091 0 1 FIAF CC(C)c1cccc(-n2cc(CN3CCc4c([nH]c5ccccc45)C3)nn2)c1 1857540548 ZIJMNLRVDIZNJE-UHFFFAOYSA-N 371.488 4.430 0 1 FIAF Oc1c(Br)c(C(F)(F)F)nc2c(Br)cccc12 1857644972 JBSIIWDZRPFUMO-UHFFFAOYSA-N 370.950 4.484 0 1 FIAF CC[C@H](C)C=CC=C(C)C[C@H](C)C=CC=C[C@H](O)[C@]1(C)CC(=O)C(=O)O1 2356865426 WKSOWWZVDAHHAD-AXRVMRSRSA-N 360.494 4.309 0 1 FIAF CC[P@@](=O)(OC)c1ccc2nc(-c3cncc(C(F)F)c3)oc2c1 2382220353 NGADHVSEDGXSMG-XMMPIXPASA-N 352.277 4.397 0 1 FIAF CC1(C)OC(=O)C2=C(C[C@@H](C3CC3)O[C@H]2CCc2cccc(Cl)c2)O1 95569281 XFOVABIWPIXCCB-HOTGVXAUSA-N 362.853 4.404 0 3 FIAF CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C)c2cccnc12 4148110 YLJRFINPFZHSCW-UHFFFAOYSA-N 356.447 4.051 0 1 FIAF CC[C@@H](O)CCCCCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460229 PNBIZNWWGNJKRU-NVXWUHKLSA-N 350.455 4.071 0 1 FIAF biogenic CC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1 13818070 RESFYLPQQBQWLK-UHFFFAOYSA-N 356.467 4.041 0 1 FIAF NC(=O)c1cc2c(Sc3ccc(Br)cc3)cncc2s1 13862351 BSSKWUVAKNLPJS-UHFFFAOYSA-N 365.277 4.309 0 1 FIAF Cn1c2c(c3cc(F)ccc31)CN(CCC[C@@H](O)c1ccc(F)cc1)CC2 27741532 VFCYXLTXIUQPDD-JOCHJYFZSA-N 370.443 4.328 0 1 FIAF O=C(CN1C(=O)CS[C@H]1c1ccccc1)Nc1cccc2ccccc12 28384412 DEKCMVJSKDAGGJ-NRFANRHFSA-N 362.454 4.053 0 1 FIAF CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1CC[C@@]1(C)c3cocc3CC[C@H]21 40896932 SMXDQQCBDPYKBT-BIRZXAFVSA-N 360.494 4.242 0 1 FIAF biogenic C[C@]1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2c(F)ccc(F)c21 49072113 UDAOAODUTRFIQO-INIZCTEOSA-N 358.793 4.090 0 1 FIAF OCc1cc2c(cn1)[nH]c1ncc(-c3ccc(CN4CCCCC4)cc3)cc12 68152327 MUWHBCPTIZWOPV-UHFFFAOYSA-N 372.472 4.256 0 1 FIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 101726148 OKXWSKOAAFFTOJ-XNPXOOOUSA-N 372.553 4.127 0 1 FIAF CCO/C(O)=C1/C(C)=NC(S)=N[C@H]1c1ccc(Br)cc1 103920121 SJRHEBNVSHNLBX-KLDSGFLGSA-N 355.257 4.057 0 1 FIAF O=C(Nc1nccc2nc(-c3c(F)cccc3Cl)sc12)NC1CC1 114603271 RVEDWGQSRXHPDZ-UHFFFAOYSA-N 362.817 4.435 0 1 FIAF Clc1cnc2nc1NCc1cccc(c1)OCCc1cccc(c1)N2 142436201 HOLZGQKSANGENU-UHFFFAOYSA-N 352.825 4.421 0 1 FIAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3F)cc2)c1 204148862 HSMAACWXVBSPJQ-CQSZACIVSA-N 350.393 4.387 0 1 FIAF CC1(O)CCC(C(=O)N2CC[C@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 218961932 BMZUXFKNMHQVBU-QFSHSTLPSA-N 355.522 4.069 0 1 FIAF CO[C@H]1CCC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 473233271 LQIBQKJUPJGWMQ-JPUQQOQSSA-N 371.521 4.038 0 1 FIAF Oc1cccc2c1OCC(c1nc3c(Br)cc(F)cc3[nH]1)=C2 586907084 DBNMTAHDQQUDDB-UHFFFAOYSA-N 361.170 4.103 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC)c(Cl)cc2[nH]1 586916493 MQFRZEFQDGTPTA-XCLFUZPHSA-N 370.836 4.441 0 1 FIAF COc1cc(-c2nc3cnc(Cl)[nH]c-3n2)cc(Cl)c1OCC(C)C 587044899 VVLQRNMOURUPOE-UHFFFAOYSA-N 367.236 4.322 0 1 FIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3ccc4ncccc4c3[nH]2)c[nH]1 587060646 LCKOULZEOKVNJW-UHFFFAOYSA-N 372.819 4.301 0 1 FIAF COC(=O)[C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 587096316 CKPJZBAWEAZHGY-ZDUSSCGKSA-N 357.409 4.033 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(Cl)nc2[nH]1)C1CCCC1 587227166 VUHOXDJXRJPICH-CYBMUJFWSA-N 350.850 4.367 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(C(=O)O)csc31)CC2=O 587492506 AIJUMLCDFZJODO-FQEVSTJZSA-N 372.442 4.301 0 1 FIAF Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2ncnc(Cl)c21 587503061 WGWVYGZWWAIWDB-QGZVFWFLSA-N 367.836 4.207 0 1 FIAF O=C(c1ccco1)c1c(C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637733 OVLPGLBSZNVSAO-UHFFFAOYSA-N 373.233 4.344 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cncc(F)c2)N1 587737092 YEBYEBZDAVIGLJ-BMIGLBTASA-N 367.237 4.330 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN=O)(c2ccccc2)N1 587741515 NXSHHSMQXQWBRA-GTNSWQLSSA-N 363.230 4.132 0 1 FIAF CC(C)[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587742822 UDPANTXVANCADU-QRNPVBCJSA-N 355.295 4.049 0 1 FIAF CCC[C@]1(C2CCNCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799434 XCKVURBCCPANIF-KPZWWZAWSA-N 369.322 4.117 0 1 FIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587951935 KCQNXNWTWRMYKB-MDKPJZGXSA-N 371.525 4.442 0 1 FIAF Cc1cccc(N2CCN(Cc3cccnc3-c3cccnc3)CC2)c1C 621476417 RQFFFQFDMKWKOB-UHFFFAOYSA-N 358.489 4.083 0 1 FIAF CCN1CCC[C@@H]1C(=O)NC12C[C@@H]3CC(C)(C[C@H](C1)c1ccccc13)C2 653798380 GOGBXMHYECRFIZ-HWBROZDJSA-N 352.522 4.191 0 1 FIAF COc1ccc([C@@]2(CC(C)(C)C)NCCc3c2c(C(C)C)nn3C)cc1 962920237 MFCCNETXOJAVLM-JOCHJYFZSA-N 355.526 4.378 0 1 FIAF COc1cccc2cc3c(nc12)[C@]1(CCc2c(Cl)cccc21)NCC3 963032502 JMGQTHPEXNXZMC-OAQYLSRUSA-N 350.849 4.232 0 1 FIAF CCO/C=C\[C@@]1(C(F)(F)F)c2cccc(Br)c2CCN1C 963280071 LUDMHONONIBXQG-GDAGCXPBSA-N 364.205 4.245 0 1 FIAF Cc1cc(C)nc(SCC(=O)Nc2ccc(NCc3ccco3)cc2)n1 1772627418 NOQCIKMCOICMBO-UHFFFAOYSA-N 368.462 4.029 0 1 FIAF Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4)cc3)ccc12 1857537519 KAQFXSGSNQJYSZ-UHFFFAOYSA-N 358.417 4.016 0 1 FIAF COc1cccc(Nc2ncc(C(=O)c3cccc(-c4cccnc4)c3)[nH]2)c1 1857610832 FPLPBWGEORSEHM-UHFFFAOYSA-N 370.412 4.455 0 1 FIAF c1ccc2c(c1)CC[C@@H](n1nc(-c3c[nH]c4nccc-4c3)c3cncnc31)C2 1857763796 LULOUUUSWPJLJT-GOSISDBHSA-N 366.428 4.051 0 1 FIAF CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3ccc(Cl)cc3)C2)O1 96018779 GHXDLPMDYUIJGA-QUCCMNQESA-N 365.901 4.197 0 3 FIAF CCCCCC[C@H](O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 13644432 BQABXUIGNYSGOR-TWJKGYNYSA-N 350.547 4.366 0 1 FIAF in-vivo Cc1nc2ccc(CN(C)c3ccc(Cc4ccccc4)cc3)cc2c(=O)[nH]1 13746784 TVEDVHQETNSATD-UHFFFAOYSA-N 369.468 4.459 0 1 FIAF Cc1c(Cl)ccc2c1NC(=O)C2(c1ccc(N)cc1)c1ccc(N)cc1 28883941 GEQUNNGHILGQGU-UHFFFAOYSA-N 363.848 4.099 0 1 FIAF CC[C@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccc(Br)cc1 29416682 IUCOGAQKZSXRAC-WFVVYAPDSA-N 366.299 4.111 0 1 FIAF CN(C)Cc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12 49089546 QSDDMCBQTGWONN-QFIPXVFZSA-N 360.505 4.201 0 1 FIAF CCOc1ccc(-c2nc(CNCc3ccc(OC)cc3OC)co2)cc1 72182806 GOHZFKMRGGJXQA-UHFFFAOYSA-N 368.433 4.047 0 1 FIAF O=C(NC1CCCCC1)c1cc2ccccc2n(Cc2ccccc2)c1=O 84617544 IIGNHLGKWYVILK-UHFFFAOYSA-N 360.457 4.112 0 1 FIAF CCC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 96173020 DPJMZKQLLRFDFI-OAHLLOKOSA-N 365.477 4.094 0 1 FIAF Oc1cc(CSc2cccc(F)c2F)nc2cc(-c3ccccn3)nn12 103224607 DILNOCIQZYMINX-UHFFFAOYSA-N 370.384 4.067 0 1 FIAF O=C1NC(=O)[C@H](Cc2ccc(OCC3CCCCC3)c(Cl)c2)S1 115794240 AOBKJNWMHFFRIJ-HNNXBMFYSA-N 353.871 4.193 0 1 FIAF COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cc2C)cn1 117434352 RDIZVQZEIMMIDF-UHFFFAOYSA-N 373.460 4.181 0 1 FIAF Cn1cc(-c2ccccc2[C@H](O)c2ccc(Cl)cc2)c2cc[nH]c2c1=O 146385332 KPUTWNZRZOAMKV-HXUWFJFHSA-N 364.832 4.269 0 1 FIAF CCc1nc(N2CCC(N(C)C)CC2)c2c(-c3ccccc3)csc2n1 146467042 BCJXRCOPBRJRPC-UHFFFAOYSA-N 366.534 4.451 0 1 FIAF CCCCOC(=O)/C=C/C1=C(C)C2=Cc3c(C)cc(C)n3[B-](F)(F)[N+]2=C1C 195411069 SDGZTLUEPZWBPH-CMDGGOBGSA-N 374.240 4.385 0 1 FIAF O=C(O)/C=C\c1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1 586878291 CBZMPZPDHQXXKK-WAYWQWQTSA-N 361.170 4.229 0 1 FIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3c(F)cnc(Br)c3[nH]2)cc1 586893058 UJCSCMKJJIFUCH-OTYXRUKQSA-N 364.218 4.005 0 1 FIAF Cc1cc(Br)cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 586908200 QRRKBBPVMCMWAG-SNVBAGLBSA-N 359.223 4.215 0 1 FIAF COc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Cl 587077550 WCUPFDAKAHRJHT-MRXNPFEDSA-N 362.216 4.495 0 1 FIAF O=C(O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133753 BQRABRZTZJZAOU-RQOWECAXSA-N 354.234 4.127 0 1 FIAF Fc1ccc(S)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587140368 DVAZQGKBCLMVLE-UHFFFAOYSA-N 358.623 4.469 0 1 FIAF O=C(O)Cc1c(-c2ccccc2Br)nc2cccc3c2c1CC3 587206934 AODFVKMQPKMOED-UHFFFAOYSA-N 368.230 4.390 0 1 FIAF CCn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587344740 YFPCUVCOBXFZDP-PZJWPPBQSA-N 366.392 4.022 0 1 FIAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587422921 RGCYCTAHNRSWRJ-BQEZGVCGSA-N 369.848 4.067 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1nc(-c4ccccc4)oc1C)[C@@H](C2)C3=O 587435264 CYIRFMITKYYTBA-AOMKIAJQSA-N 361.397 4.321 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(C(C)(C)C)c1C)CC2=O 587477098 ULVMAWXZIXKSKO-NRFANRHFSA-N 356.466 4.485 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3SCCS[C@H]31)CC2=O 587497368 CCXDVGGTIOJZLI-CGTJXYLNSA-N 350.505 4.060 0 1 FIAF O=C1C[C@](c2ccccc2)(c2ncccn2)Oc2c1ccc1c2CCCC1 587515194 LPYIKLJIFPXWSL-QHCPKHFHSA-N 356.425 4.264 0 1 FIAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587528079 ZCZGOPLAKWWJPL-QFIPXVFZSA-N 352.430 4.463 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)sc2C=O)N1 587738639 PTEGXZXLIMJSKP-KWKYVRJSSA-N 372.234 4.225 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c3ncccc23)N1 587757090 MQIIOUPSTPFHQH-DYZYQPBXSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3[nH]2)N1 587801465 GRIKJWSWUHUELT-JDNHERCYSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2C=O)N1 587846673 VJYHFDHJHCDPIF-RTHLEPHNSA-N 354.244 4.086 0 1 FIAF CNC(=O)Cc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923231 WSXYXWOMJPPGSS-UHFFFAOYSA-N 365.433 4.386 0 1 FIAF Cc1ccc([C@]2(c3[nH]c4ccccc4c3N)NCCc3c(C)ccnc32)cc1 963072566 SYPNXYFUDZHKLQ-DEOSSOPVSA-N 368.484 4.200 0 1 FIAF CCOC(=O)c1[nH]c(C)c([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1C 963099793 JYEMMWMIPIZFRL-JXFKEZNVSA-N 356.441 4.057 0 1 FIAF C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc2ccccc21 1772616238 GGXOUHDIKLIMQO-MRXNPFEDSA-N 357.413 4.135 0 1 FIAF COC(=O)CCCCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 1857543581 OVECLRQBHMVDII-LJQANCHMSA-N 351.874 4.001 0 1 FIAF CC1=C[C@@H]2C=CCCCC(=O)CCC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@H]1C 2356796502 NHXHMKDKPKQGQT-LMTTXPHMSA-N 371.521 4.004 0 1 FIAF O=C(Cc1ccccc1)NC1CCN(Cc2ccc3ccccc3c2)CC1 13470630 KRRAUGFDOXSUKO-UHFFFAOYSA-N 358.485 4.163 0 1 FIAF Cc1ccc(Oc2c(-c3ccc(S(C)(=O)=O)cc3)oc(C)cc2=O)cc1 13581227 RDDACGGTEDFKEE-UHFFFAOYSA-N 370.426 4.119 0 1 FIAF CC[C@@H](C)N1C(=O)c2ccccc2C[C@]1(C)C(=O)NC1CCCCCC1 20386915 ULNOQUBDCMLXRL-OPAMFIHVSA-N 356.510 4.081 0 1 FIAF CCCCC[C@H](O)C/C=C/[C@@H]1C[C@@H](O)[C@H]2C/C(=C/CCCC(=O)O)C[C@H]21 28131204 NXPHXOSLGZKIRE-FMRUQUKBSA-N 364.526 4.462 0 1 FIAF C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)c(F)c(CC)c4c2O1)C(=O)C[C@H](C)O3 29133589 BJWLKEGIGATMPF-XDFYEUQUSA-N 370.376 4.199 0 1 FIAF CCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C)cc1 35289385 ILXBXXRCRGEDDO-SFHVURJKSA-N 367.449 4.029 0 1 FIAF O=C(c1cc2ccc(C(F)(F)F)cc2o1)N1CCC[C@H]1CN1CCCC1 36188012 FEWXSMUQIMFEBX-HNNXBMFYSA-N 366.383 4.152 0 1 FIAF CCc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2cccnc2)cc1 58649974 CCAFHMPMIJBDRP-UHFFFAOYSA-N 369.428 4.144 0 1 FIAF in-vitro NC(=S)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1 96915584 UWBPJLSLAOHMJB-UHFFFAOYSA-N 365.355 4.331 0 1 FIAF S=C(NC1CCCCC1)N1CCC(c2cccc(Br)c2)=N1 103185108 QZIDUAVUQSJMQW-UHFFFAOYSA-N 366.328 4.066 0 1 FIAF Cc1cc(N)c2cc(NC(=O)c3ccc(-c4cccnc4)cc3)ccc2n1 103237096 NJNVKCVHTIPQFP-UHFFFAOYSA-N 354.413 4.440 0 1 FIAF O=C1[C@@H]([C@@H](O)c2ccc(C(F)(F)F)cc2)CCCN1Cc1ccccc1 103282514 BVIZHIWREDUGIA-MSOLQXFVSA-N 363.379 4.178 0 1 FIAF CCCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC 103543924 JLDPHOCHMAXZQH-LJQANCHMSA-N 355.434 4.457 0 1 FIAF CC#C[C@@H](CC(=O)O)c1ccc(OCCOc2cccc(Cl)c2)cc1 148482088 LBEBVHDEHJNPCA-INIZCTEOSA-N 358.821 4.379 0 1 FIAF COc1cccc2c(NCc3ccccc3)nc(Nc3ccccn3)nc12 221017954 VWKXSSSJRHVRRJ-UHFFFAOYSA-N 357.417 4.389 0 1 FIAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2[C@@H](OC)c3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C 238768676 ASJPEAYAKQIGTC-YTPHICPCSA-N 362.466 4.253 0 1 FIAF Cc1cc(-c2ccc(Cl)cc2)nc(NC[C@H]2CC[C@H](C(=O)O)CC2)n1 299830897 YQZUDNZKQZZIND-CTYIDZIISA-N 359.857 4.408 0 1 FIAF NC(=O)Nc1cccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587241993 KYXONDQVLWQMKW-UHFFFAOYSA-N 354.719 4.393 0 1 FIAF Nc1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc1CC(=O)O 587249378 KGGMJADWMFYXLQ-UHFFFAOYSA-N 373.412 4.018 0 1 FIAF CC(C)(C)[C@H](N)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587257632 IKDTWFYEXAOPQS-SNVBAGLBSA-N 366.181 4.270 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)C(C)(C)C)[nH]c3c2)cc1 587258636 HUDBRDSSHUIOCV-QGZVFWFLSA-N 353.422 4.188 0 1 FIAF COC(=O)CC[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587379975 ZNEUITQHIKLLAC-HXUWFJFHSA-N 373.836 4.045 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 587398036 DLYDXQKYVKNOGA-DTVZVWBHSA-N 364.489 4.069 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCOCC)cc1)CC2=O 587483446 WWWURSBKTKAYSE-HXUWFJFHSA-N 356.418 4.424 0 1 FIAF C[C@@]1(c2cn(-c3ccccc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 587517171 IHFUHEODUQPJFB-QFIPXVFZSA-N 359.429 4.027 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ncc1F 587571228 PSDJBPROZZYUIH-APWZRJJASA-N 371.751 4.283 0 1 FIAF Cc1cccc(N)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578090 MBOKMHDCHWTGCU-UGKGYDQZSA-N 361.397 4.160 0 1 FIAF C[C@@]1(c2c[nH]c3cnccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590291 SEWNTDQCZHZMSV-UGKGYDQZSA-N 372.380 4.146 0 1 FIAF COCC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596340 NPQBQHLRPPNVJZ-UWJYYQICSA-N 356.418 4.175 0 1 FIAF CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597643 RCYDJKSBFVJHFH-SIKLNZKXSA-N 362.381 4.494 0 1 FIAF C[C@@]1(Cc2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607900 IRMJRCBKVQTIHS-KNQAVFIVSA-N 362.381 4.061 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2cnn3C)N1 587755920 BOLCNGXGHLLOIH-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC2CCOCC2)N1 587835500 PEVPJRNJOAEURS-APPDUMDISA-N 356.279 4.370 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)COC3)N1 587837106 ZKQGKQZGGLRNEW-MLCYQJTMSA-N 362.242 4.242 0 1 FIAF COc1cccc(-c2cc(O)cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)c1 587933325 MFOJBLRKNJTAJG-UHFFFAOYSA-N 372.384 4.193 0 1 FIAF COc1cc(-c2cn3c(-c4ccccc4Cl)cnc3cn2)ccc1O 653676021 JBBSFNMMHZVXMM-UHFFFAOYSA-N 351.793 4.431 0 1 FIAF NCc1ccc2c(c1)[C@]1(CCC2)c2ccsc2CCN1Cc1ccco1 962702710 GKIYAAZEYLONLM-QFIPXVFZSA-N 364.514 4.438 0 1 FIAF C[C@@]1(c2cc(F)ccc2-n2ccnc2)c2c(F)cccc2C[C@@H]2CCCN21 963112299 XLQNFDUODGRHTN-HTAPYJJXSA-N 365.427 4.435 0 1 FIAF CC=Cc1cc2c(cn1)C(=O)[C@]1(C)OC(=O)C(=C(O)CCCCC)C1=C2 2356343930 WTEXYKPGDKLLCW-OAQYLSRUSA-N 353.418 4.402 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CC=C[C@](C)(O)C[C@@H](O)[C@H]12 2356520619 SVFYCYBARKSVJH-TZVZJHAFSA-N 364.526 4.015 0 1 FIAF COc1ccc(-c2c(C)c(C(=O)O)nn2-c2ccc(Cl)cc2)c(OC)c1 103209967 ASGDMCCOIPUTTI-UHFFFAOYSA-N 372.808 4.217 0 1 FIAF CC(C)n1cnc2c(Nc3cccc(-c4cncnc4)c3)nc(Cl)nc21 103186820 SFIQNGXRRVFNJS-UHFFFAOYSA-N 365.828 4.261 0 1 FIAF COc1cccc2c1CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620704 OVPZCOIKWJRELI-RXVVDRJESA-N 360.457 4.288 0 1 FIAF Oc1ccc2cccc(CCCN3CCN(C4CCCCC4)CC3)c2c1 28711328 GZSUKAWVLVTDGA-UHFFFAOYSA-N 352.522 4.428 0 1 FIAF COc1cc([C@@H]2OC[C@H](CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)O2)ccc1O 100776487 ZOGKSXQLOOQXFG-QETOGLDISA-N 364.482 4.292 0 1 FIAF endogenous,in-man Cc1c(C(=O)N2CCCCC[C@@]2(C)C(=O)NCC(C)C)oc2ccccc12 61906505 ORTNXURJLKTBND-QFIPXVFZSA-N 370.493 4.288 0 3 FIAF CCS(=O)(=O)N(Cc1cccnc1)c1cccc(Oc2ccccc2)c1 26828704 TUHCVTFMRNMPPI-UHFFFAOYSA-N 368.458 4.230 0 1 FIAF C[C@H](CC[C@]1(C)[C@H](C)CC[C@@]2(CO)C(CO)=CCC[C@@]21C)CC(=O)O 2356652310 WLKKZYQAHGKWES-HVXMAHFMSA-N 352.515 4.011 0 1 FIAF O=C(Nc1ccc(NC(=O)c2ccccn2)cc1Cl)c1ccccc1 66078592 VFSSAQRKQCJMGA-UHFFFAOYSA-N 351.793 4.240 0 1 FIAF CC(=O)NC[C@@H](O)CCCC=C(C)C=C(C)c1ccc(C)cc1C=CCO 2356832105 JTQUQUWBJKBFMF-QFIPXVFZSA-N 371.521 4.017 0 1 FIAF O=c1[nH]c(=S)[nH]c(-c2ccoc2)c1Cc1c(O)ccc2ccccc12 72170967 NAWXYXLEBHSARO-UHFFFAOYSA-N 350.399 4.142 0 1 FIAF COc1c(F)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587722585 STEOSWYGRQQENU-FVMDXXJSSA-N 368.221 4.360 0 1 FIAF CCCn1cnc2cc(-c3nc4cc(C)cnc4[nH]3)cc(Br)c21 587003134 FLDPELISAWDFTC-UHFFFAOYSA-N 370.254 4.456 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(Br)ccc(C)c31)O2 587374599 ZJNLGJZVEJWNQB-LJQANCHMSA-N 372.262 4.455 0 1 FIAF CCN(CC)Cc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587384975 ASLOCTCCHWTMIU-NRFANRHFSA-N 368.477 4.134 0 1 FIAF COc1cncc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c12 587195230 FEAQUAJRNIXERS-UHFFFAOYSA-N 368.437 4.313 0 1 FIAF CC[C@H](C)n1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587755590 BACVFKJZDKORNR-DINDLPBHSA-N 366.278 4.379 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(CC)c1C(F)(F)F)CC2=O 587464656 VJIKLPPACLRKOA-HNNXBMFYSA-N 368.355 4.286 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCC[C@@H](C)C2)N1 587760478 KKIYAKFQKSFTKB-VBHSOAQHSA-N 369.322 4.070 0 1 FIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cnc2[nH]1 587151561 SLRSRIUYEGAJHW-SSDOTTSWSA-N 354.154 4.139 0 1 FIAF O=C1C[C@@](c2ccc(F)cc2)(c2cnccn2)Oc2c1ccc1c2CCCC1 587502389 CENZDKMQAQQPHJ-HSZRJFAPSA-N 374.415 4.404 0 1 FIAF C[C@@]1(c2ccc(C=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603408 OIOOTHZCXVUGJO-UGKGYDQZSA-N 360.365 4.082 0 1 FIAF C[C@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551068 CSFAHTLPAZHOMR-FXAWDEMLSA-N 367.788 4.318 0 1 FIAF COc1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cc1Cl 587786575 IEFIKMQIVUIRKD-UHFFFAOYSA-N 358.825 4.357 0 1 FIAF CCn1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587754197 DGUNSNCWYBTEMG-XLFHBGCDSA-N 366.278 4.045 0 1 FIAF CC(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)co1 587587961 QTAIAQDFMJBGIQ-APWZRJJASA-N 351.358 4.207 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@]2(CCc3nc4cccc5c4c(c3C2)CC5)C1 587211228 BOZWNOMEUPTWPI-QHCPKHFHSA-N 364.489 4.449 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C)NC(C)(C)C2)N1 587796617 QKATXSIWTWVOFI-NSHDSACASA-N 369.322 4.258 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587374964 ARUDXKIZZRIZFD-INIZCTEOSA-N 362.223 4.055 0 1 FIAF CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587400613 REFBXYKRARRMEM-LJQANCHMSA-N 355.434 4.471 0 1 FIAF CC(C)(C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587581187 KNYFKTFBXOJJOH-PXNSSMCTSA-N 364.401 4.047 0 1 FIAF CC(C)Oc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005170 ALJKTQYPUNWBMD-UHFFFAOYSA-N 367.634 4.223 0 1 FIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)c(F)c(F)c2[nH]1 587079300 IICMLCAKPRGUCO-NSHDSACASA-N 364.758 4.357 0 1 FIAF CC(C)N(C)CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587738935 DMDQIOCRDHSSTF-YVEFUNNKSA-N 357.311 4.068 0 1 FIAF Oc1ccc2scc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2c1 587032020 FGXWGGMLINSXKO-UHFFFAOYSA-N 350.378 4.475 0 1 FIAF Cc1ccc2c(c1)C(=O)[C@]1(NCCc3ccc(O)cc31)[C@H](c1ccccc1)O2 963342705 SCZSXZZTNRNYDT-ZEQRLZLVSA-N 371.436 4.058 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cccc(-c2ccccn2)c1 963604947 GCPJDZARCHSGNE-WNSKOXEYSA-N 360.457 4.389 0 1 FIAF Cc1cccc([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1C 962624975 ARYCFHNSVBCCGJ-NZQKXSOJSA-N 360.457 4.040 0 1 FIAF O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)c(Cl)c2)c1 146782465 MMZVVWIDZXOSFA-UHFFFAOYSA-N 369.808 4.075 0 1 FIAF Cc1ccccc1-c1nc(N)c(CN)c(-c2ccc(Cl)cc2Cl)n1 14948333 FJWMRLCDAYRKNT-UHFFFAOYSA-N 359.260 4.467 0 1 FIAF Cc1ccc2c(c1)nc(CCc1nc(C)c3cccnn13)n2-c1ccccc1 169349799 CBMGDCXJXDDPNS-UHFFFAOYSA-N 367.456 4.470 0 1 FIAF c1cc(-c2n[nH]c3cnc(-c4cncs4)cc23)nc(N2CCCCC2)c1 205253323 BMSQPKJZDOPSBO-UHFFFAOYSA-N 362.462 4.134 0 1 FIAF COc1ccc(CN2C(=O)C(=O)c3ccc(-c4ccc(OC)cc4)cc32)cc1 1857657018 TVKCLBBCSHZQQQ-UHFFFAOYSA-N 373.408 4.100 0 1 FIAF CC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1ccccc1 988013 OVSLNAOEBVZEQQ-UHFFFAOYSA-N 369.218 4.068 0 3 FIAF aggregator CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@H]1c1ccc(F)cc1 26819261 IMZDPHIRNMFYEE-BDBAMQCISA-N 361.413 4.273 0 1 FIAF Cc1n[nH]c(C(C)(C)C)c1CCC(=O)NCc1ccc(F)cc1Cl 58650921 VSYBKDMEFJVLQG-UHFFFAOYSA-N 351.853 4.057 0 1 FIAF CC(=O)O[C@@H]1C=C(C)CC[C@@H]2[C@](C)(CC=C(CO)C1)CC[C@@]2(O)C(C)C 2356439155 GKQBGOCRINYHSS-GXRSIYKFSA-N 364.526 4.161 0 1 FIAF CC(=O)OC[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN32 100912942 BLJIZPWSKVXUMY-IOKMNBQYSA-N 366.288 4.423 0 1 FIAF O=C(O)c1cc(F)cc(C(=O)CCc2cc(Cl)ccc2Cl)c1O 66156663 PTWPVFXDJUAKBE-UHFFFAOYSA-N 357.164 4.352 0 1 FIAF COCC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCC(=CC(=O)O)CO 2356565197 RRINIBHGKGLNCO-UEXGIBASSA-N 350.499 4.195 0 1 FIAF O=C(NC1CC1)c1cnc(N2CCC[C@@H](c3ccccc3)C2)c(Cl)c1 45190334 PFMSPNDKHFMUCS-OAHLLOKOSA-N 355.869 4.011 0 1 FIAF Cc1ccc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)cc1 45391236 ANMDAASXOHCIJJ-UHFFFAOYSA-N 355.397 4.155 0 1 FIAF COc1ccc(CCNc2cc(-c3cc(F)cc(F)c3)ncn2)cc1OC 82162160 RGXYVGNBEHSSAS-UHFFFAOYSA-N 371.387 4.094 0 1 FIAF c1ccc(Nc2ccc(Oc3nccnc3NCc3ccncc3)cc2)nc1 139164334 UKDXZVUJBKOQRZ-UHFFFAOYSA-N 370.416 4.415 0 1 FIAF O=C(CCCc1ccccc1)Nc1nc2ccc(Cl)cc2c(=O)s1 96905577 RKCCGKZSUPERQC-UHFFFAOYSA-N 358.850 4.271 0 1 FIAF COC(=O)c1c(O)cc(OC)cc1/C=C/c1ccc(C(F)(F)F)cc1 473087441 JXPVPONHNCYDOL-ZZXKWVIFSA-N 352.308 4.377 0 1 FIAF COc1cccc(-c2nc(/C=C/c3cc4ccccc4nc3OC)no2)c1 653799561 DTAVMOZQBLJMMJ-ZHACJKMWSA-N 359.385 4.472 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccccc1F 587655550 MMRJDSBIGXNYIK-UHFFFAOYSA-N 352.315 4.470 0 1 FIAF Cc1ccc2c(ccc3nc([C@@H](N)Cc4c[nH]c5ccc(F)cc45)[nH]c32)n1 587175596 UZLXYPVCTXMYBK-INIZCTEOSA-N 359.408 4.282 0 1 FIAF C=CC(=O)Nc1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 587243730 KQINIYUEGMVZGD-UHFFFAOYSA-N 360.186 4.256 0 1 FIAF C[C@@]1(Cc2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567356 GTJHRAZZXRQRDR-KNQAVFIVSA-N 364.372 4.494 0 1 FIAF CN(C)CCOc1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587109379 INFGWVUYNZLITJ-UHFFFAOYSA-N 367.346 4.328 0 1 FIAF CCOc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CN1CCOCC1 587212566 OWZLFKNPJBDUCB-UHFFFAOYSA-N 374.484 4.231 0 1 FIAF CC[C@H](C)n1nccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580865 JNZDJAIUWLVFTA-NVMYHKGLSA-N 364.401 4.263 0 1 FIAF CCC[C@H](O)[C@@]1(CCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608230 KKEGSZOXRLQPDX-BBTUJRGHSA-N 356.418 4.054 0 1 FIAF O=C1C[C@](c2ncc[nH]2)(c2cccs2)Oc2c1ccc1c2CCCC1 587531576 LWNDESRFAQWETD-HXUWFJFHSA-N 350.443 4.259 0 1 FIAF Cc1ccccc1-c1ccc(Cc2nc3c(S)nc(S)nc3[nH]2)cc1 587959941 SQWDKGMQTXTEFV-UHFFFAOYSA-N 364.499 4.497 0 1 FIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(C)ccnc3[nH]2)c(O)c1 587241157 WFQXYNIBJDRJMI-UHFFFAOYSA-N 372.428 4.129 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCCS2)CC(=O)c2cc(C)cc(N)c2O1 587414973 QATVGEDKZMSEHH-HXUWFJFHSA-N 355.459 4.332 0 1 FIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(Br)c2[nH]1 587174706 KPTDHDSSAQXILG-ZDUSSCGKSA-N 373.229 4.188 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C=O)s2)N1 587845791 FSKTYZLMPBLIBB-JDNHERCYSA-N 368.271 4.260 0 1 FIAF COc1cc(-c2nc3cc(N)c(N)cc3[nH]2)cc(Cl)c1OCC(C)C 587045692 CEAGUJJVTYKWTN-UHFFFAOYSA-N 360.845 4.091 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)cc1Cl)CC2=O 587463467 XGPJXQQULCVICX-SFHVURJKSA-N 374.820 4.491 0 1 FIAF COc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1C 587081556 CFGDXOMAJWUXTN-UHFFFAOYSA-N 368.824 4.433 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)ccc(Cl)c21 587462681 PXUBVSYEFUNPFI-HXUWFJFHSA-N 371.820 4.119 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cnc1Br)O2 587372956 OLAYWVUDVJGUPX-ZDUSSCGKSA-N 367.630 4.095 0 1 FIAF CCC(C)(C)[C@@]1(c2ccccc2F)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963488970 HCQDAYISAYBIKN-JTSKRJEESA-N 371.452 4.118 0 1 FIAF COc1ccc(-c2ccc([C@@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)o2)cc1 963033135 PUTUWLNRLQHYTD-NPMXOYFQSA-N 374.440 4.098 0 1 FIAF O=C(NCc1c[nH]c2ccccc12)N1[C@@H](Cc2ccccc2)[C@@H]2CC[C@@H]1C2 169347236 UENKSTZFYXQHBC-JUXOCIIHSA-N 359.473 4.473 0 1 FIAF NCc1c(N)nc(-c2ccccc2F)nc1-c1ccc(Cl)cc1Cl 14948356 RCYYITOQVYJJJX-UHFFFAOYSA-N 363.223 4.297 0 1 FIAF COc1cccc(C(=O)N[C@@](C)(C(=O)c2ccccc2C)C(C)C)c1C 27524746 BAOVKPRCRZUKAO-JOCHJYFZSA-N 353.462 4.339 0 1 FIAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@H]2CCCCC[C@H]12 28523431 UASWVEYKVQSSHS-SFTDATJTSA-N 365.521 4.033 0 1 FIAF Cc1ncccc1-c1cc2c(cc1F)c(=O)c1c(O)nsc1n2C1CC1 28572024 XOQKPULBJQSJFY-UHFFFAOYSA-N 367.405 4.161 0 1 FIAF CCC(=O)O[C@@H](C)OC(=O)[C@H](C)c1ccc2c(c1)Oc1ccccc1CO2 29221738 YWAQBGVTMMVZGE-ZIAGYGMSSA-N 370.401 4.317 0 1 FIAF C[C@@H]1CC[C@@H]2CCCC[C@@H]2N1CCCNC(=O)c1cc(Cl)ccc1O 29392496 IZZOZHFPLHDYNJ-VKJFTORMSA-N 364.917 4.209 0 1 FIAF COc1cc2oc(-c3cccc(N4CCCC4)c3)cc(=O)c2cc1OC 45340385 AZQTYVZEISGQTG-UHFFFAOYSA-N 351.402 4.077 0 1 FIAF O=C(NCC12CCN(CC1)CC2)c1ccccc1-c1cccc(Cl)c1 49049716 ISZWLCMWQJOEFG-UHFFFAOYSA-N 354.881 4.223 0 1 FIAF CC(C)n1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc21 71294852 QPYWOYUABRRJOD-UHFFFAOYSA-N 359.433 4.235 0 1 FIAF Cc1ccc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)c(C)c1 72185312 QDLCEBFVVVTXPR-UHFFFAOYSA-N 365.452 4.420 0 1 FIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3cccc(Cl)c3)ccc12 96905958 ZOPACAHOBMMSPB-LJQANCHMSA-N 370.861 4.269 0 1 FIAF Cc1ccc([S@@](N)(=O)=NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 102789096 OHTVJVFUNSAJSC-QFIPXVFZSA-N 358.250 4.235 0 1 FIAF CCN(C(=O)c1ccc2c(c1)c1c(c(=O)n2C(C)C)CCCCC1)C1CC1 169329461 NXQMNYNRRDDQLE-UHFFFAOYSA-N 366.505 4.476 0 1 FIAF COC(=O)[C@]1(/C=C2/c3ccccc3[C@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 299811274 ASIWMRFKVKKMJP-TYHRVGQPSA-N 362.425 4.125 0 1 FIAF Cc1oc2c(c1-c1nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]1)C(=O)CCC2 586904216 TYFRSEMZNRMIDT-UHFFFAOYSA-N 372.428 4.482 0 1 FIAF Clc1nccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586996590 WIEXYBGATPABKN-UHFFFAOYSA-N 351.635 4.028 0 1 FIAF Clc1cccc(OCc2ccc(-c3nc4cnncc4[nH]3)o2)c1Cl 587055429 HARJCSMTWCMDSK-UHFFFAOYSA-N 361.188 4.499 0 1 FIAF Cc1ccc2c3c(c4c(nc13)CC[C@H](CC(=O)O)C4)-c1ccccc1C2=O 587100730 FZLYKXYEQKGUCV-ZDUSSCGKSA-N 357.409 4.334 0 1 FIAF O=C(O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1 587106845 NNRYHGMSGVEOEK-UHFFFAOYSA-N 352.349 4.206 0 1 FIAF O=C(Nc1cccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1)c1ccc(F)cc1 587163366 KOQGLAVSPUKQRK-UHFFFAOYSA-N 371.375 4.498 0 1 FIAF O=C(NCCc1nc2cc(Cl)cc(Cl)c2[nH]1)OCc1ccccc1 587228479 MVWABGDYIRADPP-UHFFFAOYSA-N 364.232 4.339 0 1 FIAF CC[C@@]1(C2CCNCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353448 ZHZVGOMYKMLTIN-IRLDBZIGSA-N 369.436 4.039 0 1 FIAF COc1cccc(-c2cc(CCn3cncn3)nc3c2oc2ccccc23)c1 587363391 MPVNYUMBPCIZGQ-UHFFFAOYSA-N 370.412 4.491 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccccc3Cl)c1)O2 587378787 PWOGCKFWBPUHLR-FQEVSTJZSA-N 367.836 4.297 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)ccnc1Cl)O2 587381200 HKQNKFPZCUXKKN-LBPRGKRZSA-N 356.731 4.351 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(OC)cc(C)c(Cl)c1C)[C@@H](C2)C3=O 587421384 LKJXLEUFEZFPMC-RBZFPXEDSA-N 358.821 4.463 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587441427 SXPMUDBNQBFYJB-KSFYIVLOSA-N 360.413 4.191 0 1 FIAF O=C1C[C@]2(CC[C@@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 587529017 HUKUFKFLEYQWCM-HXOBKFHXSA-N 362.425 4.388 0 1 FIAF CC(C)N(C)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587743763 XVROWSUNNYZHIW-SJKOYZFVSA-N 357.311 4.068 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C(=O)OCC)c1ccc(F)c(F)c1 963238662 VUENUOYWTFFYBQ-IVZQSRNASA-N 373.443 4.428 0 1 FIAF CC(C)n1ncc2c(C(=O)Nc3ccccn3)cc(-c3ccsc3)nc21 1772584762 MIJMSUGCUJYQCM-UHFFFAOYSA-N 363.446 4.388 0 1 FIAF Cc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C)Cc1cccs1 61906504 SDAMNZHXAGTNEI-UHFFFAOYSA-N 371.506 4.335 0 3 FIAF c1cncc(-c2cc(N3CCc4ccccc4C3)nc(-c3ccncc3)n2)c1 1498083 SJGQAPOPJGHCLN-UHFFFAOYSA-N 365.440 4.163 0 1 FIAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C1c3ccccc3CCc3ccccc31)C2 100372252 NAWCPJNPSJBJGQ-PMOLBWCYSA-N 361.485 4.086 0 1 FIAF in-man C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102071397 NGKJZFHEDSISDF-KKUMJFAQSA-N 373.880 4.429 0 1 FIAF CCOP(=O)(Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)OCC 29221922 SYVMZZOANVEIBW-UHFFFAOYSA-N 372.361 4.356 0 1 FIAF FC(F)(F)Oc1ccc(/C=C/c2nnc3c4ccccc4cnn23)cc1 66111619 YNZGJQVYARACOE-JXMROGBWSA-N 356.307 4.347 0 1 FIAF C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@H](C)O3 29133639 MFKHKUNCZMBSOF-BNHDAMHGSA-N 352.386 4.059 0 1 FIAF O=C(OCCc1cc2ccccc2c(=O)o1)c1ccccc1C(F)(F)F 36388806 GEJRNABRQFJRBA-UHFFFAOYSA-N 362.303 4.211 0 3 FIAF COc1cc2occc2c2oc(-c3ccc4c(c3)OCO4)c(C)c(=O)c12 13376259 ZUVMYDNDIWLGSH-UHFFFAOYSA-N 350.326 4.252 0 1 FIAF biogenic CCN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)CC1 40880197 BXEZVGPBFXFSKW-UHFFFAOYSA-N 352.935 4.249 0 1 FIAF Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2C)cn1 40972579 OLTUYRLEZMSAON-UHFFFAOYSA-N 361.493 4.287 0 1 FIAF Fc1ccc(CNc2nc(CN3CCCCC3)nc3ccccc23)cc1 299838030 QAXJZFAHJSPSQM-UHFFFAOYSA-N 350.441 4.367 0 1 FIAF O=C1C[C@@H](c2ccnc(Br)c2)Oc2c1ccc1c2CCCC1 587499035 QLEMCBGTYLUGHL-INIZCTEOSA-N 358.235 4.429 0 1 FIAF COc1cc2c3c(c1)OC1(c4ccccc4N(C)c4ccccc41)[C@@H](C2)C3=O 587437414 ZVOCUBLWWJKFPW-SFHVURJKSA-N 369.420 4.468 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(Br)c1F)O2 587381555 IWRHHQWYXNLLHD-ZDUSSCGKSA-N 368.177 4.324 0 1 FIAF Cc1nc(Br)sc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587010547 CJOJJBPYRGGAHQ-UHFFFAOYSA-N 364.055 4.459 0 1 FIAF C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571426 OECWDOVUSYLCTH-WIYYLYMNSA-N 350.345 4.408 0 1 FIAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587050163 OWYNWEKRVBVKSO-WDEREUQCSA-N 371.231 4.117 0 1 FIAF COC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2n1 587958934 ICSHYZQYTANWLX-UHFFFAOYSA-N 357.413 4.311 0 1 FIAF COc1ccc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1OC 587927682 WDUFAXMTDGHFJV-UHFFFAOYSA-N 374.444 4.002 0 1 FIAF C[C@@]1(c2c[nH]c3ccncc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589468 PCMXAGYIATWIKO-UGKGYDQZSA-N 372.380 4.146 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(C[C@H](OCc4ccccc4)C1(C)C)[C@@H](C2)C3=O 587440202 BCPXXJZQJDJGCV-LTMIRXACSA-N 364.441 4.197 0 1 FIAF CC[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424933 YCPWEYKNUPZFJP-FOIQADDNSA-N 360.356 4.350 0 1 FIAF CC(C)(CC(=O)O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601846 FXBZSZQMXTYPJG-LAUBAEHRSA-N 370.401 4.004 0 1 FIAF Cc1c(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905676 YLTDMEOXLISWQC-SFHVURJKSA-N 374.444 4.332 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(F)c2F)N1 587721167 PAGJRRXHNYAKHG-QZTNRIJFSA-N 372.184 4.196 0 1 FIAF Cc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1F 587142651 JGGODUKEBZNKSQ-ZDUSSCGKSA-N 366.209 4.155 0 1 FIAF O=c1c(-c2nc3cc(F)cc(F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170936 GXKALBGQWCEPOP-UHFFFAOYSA-N 373.309 4.436 0 1 FIAF Cc1ccc2c3c(c4c(nc13)-c1cn(C)nc1CC4)-c1ccccc1C2=O 587096044 CBHWQASJLJWHNY-UHFFFAOYSA-N 351.409 4.254 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c1ccc(OC)c3F)CC2=O 587471296 KVXVHDXXCYCMQY-NRFANRHFSA-N 356.393 4.299 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1c(C)cccc41)[C@@H](C2)C3=O 587438434 OFQZBSNOWKLMJY-SBUREZEXSA-N 359.425 4.464 0 1 FIAF COc1cc2c3c(c1)O[C@](CF)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587419652 DFEVRTGVNXSRCN-KBXCAEBGSA-N 366.310 4.326 0 1 FIAF C[C@]1(Cc2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617567 KIDWWARZJXIONG-YLJYHZDGSA-N 352.411 4.417 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc(Cl)c1 587551605 HMEPLUWZGXMTOD-APWZRJJASA-N 353.761 4.144 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(Cl)n1 587861963 YQDBQSNGXFVVOE-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF COC(=O)[C@@H]1CC(C)(C)C[C@@]12c1ccsc1CCN2Cc1ccco1 962714067 YDHIVMDGIUJCLV-OXJNMPFZSA-N 359.491 4.204 0 1 FIAF COc1ccccc1-c1cc(Cl)cc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772628862 DSQUNTDMMZVRRA-INIZCTEOSA-N 372.808 4.314 0 1 FIAF COc1cccc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc3c2=O)c1 1772584559 UFFCGCBNLVMSAO-UHFFFAOYSA-N 355.393 4.435 0 1 FIAF Oc1ccc([C@@H]2N=CN[C@@H]2c2c(Cl)cc(O)cc2Cl)c(Cl)c1 13475121 ZGYGDLBCSDNAFX-LSDHHAIUSA-N 357.624 4.472 0 1 FIAF C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H](O)C(C)(C)Cl 14587276 LJKOFXGMGDOURN-JIIJFUIFSA-N 350.842 4.277 0 1 FIAF endogenous,in-man O=C(Nc1nccs1)[C@H]1[C@H]2CCCCC2=C2CCCC[C@H]2[C@H]1C(=O)O 17417824 UAEKMUHPIUFOAJ-XUWVNRHRSA-N 360.479 4.089 0 3 FIAF Cc1n[nH]c2c1[C@H](c1ccc(N(C)C)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 18188080 LNJMWGJUEHFBOY-OALUTQOASA-N 350.466 4.007 0 1 FIAF CCN(C(=O)c1ccccc1)[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169324205 LSMXYAMENPBDRK-GCJKJVERSA-N 373.500 4.392 0 1 FIAF CN(C)CCCN1C(=O)/C(=C/c2ccccc2)Oc2ccc(Cl)cc21 169324437 WQEHMGXDJRUVNP-UYRXBGFRSA-N 356.853 4.058 0 1 FIAF CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2C)cc1 775356 YGCITDAJMAQVKU-UHFFFAOYSA-N 352.409 4.324 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OCC)cc1 4049546 UIQLNZVJILJJRQ-TZIWHRDSSA-N 366.461 4.093 0 1 FIAF Cc1cc(C)c(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)c(C)c2)c1 29475097 QTBNPOREZABRPH-QZTJIDSGSA-N 356.437 4.417 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@H](O)C3)s2)o1 40953369 WOQQURWNFMADML-NEPJUHHUSA-N 367.540 4.436 0 1 FIAF c1ccc(CNCc2ccc(CN[C@H]3CCCCc4cccnc43)cc2)nc1 49068251 PETRZIRWQJDWID-QHCPKHFHSA-N 372.516 4.324 0 1 FIAF O=C(O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1 64528370 SFCLWZBOEVLSTH-UHFFFAOYSA-N 355.297 4.032 0 1 FIAF O=C(c1cccc2[nH]ccc12)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 71316576 UOXHGECIQXHSKI-FJIJXJHWSA-N 374.484 4.460 0 1 FIAF CCOC(=O)NC1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72100978 SZOPYPRIVNHWPE-LJQANCHMSA-N 373.884 4.035 0 1 FIAF CC(=O)[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@H](C)O)CC[C@@]4(O)[C@@H]3CC[C@@H]2C1 118935093 ZDWIKYATNSEKOF-BDEBPEITSA-N 362.554 4.346 0 1 FIAF C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1)C1CC1 142056992 PFYJSYGSZJBSTO-GUYCJALGSA-N 352.438 4.164 0 1 FIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)C[C@@H](O)[C@@H]32)C1 153197139 QZRQSCKMNSTUAL-OGOXUFETSA-N 374.613 4.074 0 1 FIAF CC(C)=CCc1cc(C[C@H]2OC(=O)C(O)=C2c2ccc(O)cc2)ccc1O 238749422 SDUGYQDMSWYSGN-LJQANCHMSA-N 366.413 4.044 0 1 FIAF COc1cc(-c2nc(-c3ccccc3Cl)cnc2O)cc(OC)c1OC 299829556 HQPHBJQSXSCCLE-UHFFFAOYSA-N 372.808 4.195 0 1 FIAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ccc(CO)cc4)nc3c2)cc1 586895373 GBDJRTGYMTXUMM-UHFFFAOYSA-N 374.396 4.301 0 1 FIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586895395 YYNWJQXLGGKMJB-UHFFFAOYSA-N 358.397 4.176 0 1 FIAF O=C(O)CC[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989571 BQDJEYUQPGAUPG-LBPRGKRZSA-N 373.408 4.437 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(F)c(F)cc2[nH]1 587168170 UHSAGFLSRWHATL-INIZCTEOSA-N 360.339 4.349 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587233625 UNANQVVJJPCPFS-UWVGGRQHSA-N 370.375 4.138 0 1 FIAF COc1cc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2cc1Cl 587247786 UATQDXOMTBNZFY-UHFFFAOYSA-N 358.829 4.272 0 1 FIAF CC[C@H](C)n1nc(C)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417857 FFOZDXFMZHAHBQ-ZVSKPCGTSA-N 360.841 4.313 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1C)OCCO3)CC2=O 587491833 QAXMMYSMCBJOPB-GOSISDBHSA-N 354.402 4.131 0 1 FIAF CCCSc1ncc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cn1 587493109 QSQHGRSLFAZUDF-KRWDZBQOSA-N 358.463 4.343 0 1 FIAF COC[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504493 KFNNTAWPMNMBCD-OAQYLSRUSA-N 358.384 4.351 0 1 FIAF COC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCCC1 587600196 MUBRKBXCYPACJX-FXAWDEMLSA-N 354.402 4.072 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccsc12 587617563 KHBMGYKMCSEUOA-UZLBHIALSA-N 350.395 4.257 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COc2ccc(F)cc2)N1 587735751 UTKXRFRNGKIKQS-BTDLBPIBSA-N 368.221 4.382 0 1 FIAF COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)co2)cc1OC 621429854 ARVBSWBRNYTBEE-UHFFFAOYSA-N 351.402 4.236 0 1 FIAF O=C1N/C(=C\Cl)Nc2scc(-c3ccc(Br)cc3)c21 958054874 VQUUZLVVHKVCLC-BJMVGYQFSA-N 355.644 4.371 0 1 FIAF CSc1cccc(SC)c1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962931457 NOVKIBDJYBIVHD-IBGZPJMESA-N 372.559 4.067 0 1 FIAF CN1CCc2c(Br)cccc2[C@@H]1C1=Cc2cc(O)ccc2OC1 963280155 NJWKZBTUKIVRSG-IBGZPJMESA-N 372.262 4.160 0 1 FIAF CC=C1c2ccc(C=O)n2[C@H]2C[C@H]1[C@@H](C(=O)OC)c1c2[nH]c2ccccc12 2356516106 LMQWGENTCNSYQP-MOXGXCLJSA-N 360.413 4.065 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OCC)cc1 4049545 UIQLNZVJILJJRQ-PZJWPPBQSA-N 366.461 4.093 0 1 FIAF CN(C)CCNC(=O)c1cc(-c2ccccc2)c(N2CCCCCC2)s1 20985735 XMEGZQWZAIDTNM-UHFFFAOYSA-N 371.550 4.087 0 1 FIAF O=C(c1ccncc1)N1N=C(c2ccccn2)C[C@@H]1c1cccc(Cl)c1 102232374 UXMWMOKSCFBUEN-LJQANCHMSA-N 362.820 4.122 0 1 FIAF Cc1ccsc1CN(C)c1ncnc2ccc(-c3ccc(CO)o3)cc12 64664281 HWDFAHKJNADKKP-UHFFFAOYSA-N 365.458 4.388 0 1 FIAF CC[C@H](C)C(=O)c1c(O)cc(O)c2c1O[C@@](C)(CCC=C(C)C)[C@@H](O)C2 2356457414 OOUQAKUAWXZBEN-GTXQTCRKSA-N 362.466 4.128 0 1 FIAF OC1CCN(CCCCOc2ccccc2CCc2ccccc2)CC1 29488892 TXCDVJHZAJZKRU-UHFFFAOYSA-N 353.506 4.088 0 1 FIAF COc1cc(C(=O)c2sc3c(C)cccc3c2N)cc(OC)c1OC 28644290 ZVFQRGRDDFMNGJ-UHFFFAOYSA-N 357.431 4.049 0 1 FIAF CCN(CC)CCC[C@@H](C)Nc1cc(OC)c2c(C)ccnc2c1OC 39298432 OVOIBRBKNUXNLV-MRXNPFEDSA-N 359.514 4.483 0 1 FIAF O[C@@](c1ccc(C(F)(F)F)cc1)(c1cncnc1)c1ccccc1Cl 72101810 DYZQJGKMCSGRBF-KRWDZBQOSA-N 364.754 4.433 0 1 FIAF COc1c2c(c3ccoc3c1OC)O[C@H](c1ccccc1)[C@H](OC)[C@@H]2OC 13480415 CJDWWGLVOLCWPW-ZTNFWEORSA-N 370.401 4.286 0 1 FIAF biogenic Cc1nn(C)c(C)c1-c1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 144891611 PVRMYQXVOUIGCU-IBGZPJMESA-N 358.363 4.483 0 1 FIAF Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccs1 96922461 GYMBYNUNONBMHS-FUHWJXTLSA-N 369.534 4.372 0 1 FIAF COc1ccc(C(c2ccc(OC)c(OC)c2)[C@@H](C)[C@H](C)CO)cc1OC 40865859 QCYCSEDIGPJTTD-CABCVRRESA-N 374.477 4.117 0 1 FIAF biogenic COC(=O)c1cc(-c2ccc(F)cc2)sc1NC(=O)N1CCCCC1 2382223951 NBOOATLYQKGGKD-UHFFFAOYSA-N 362.426 4.359 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)cc1C(F)(F)F)[C@@H](C2)C3=O 587418919 FAPPEPBFPODMOP-UGSOOPFHSA-N 364.319 4.211 0 1 FIAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1O 587523575 KIRUFMCFOWXPEJ-JOCHJYFZSA-N 368.429 4.169 0 1 FIAF CC(=O)[C@]1(c2cc(Cl)cc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587379478 VCSMYRNUQDGCPC-SFHVURJKSA-N 364.228 4.334 0 1 FIAF Cc1ccnc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587593037 ZZDIAXYQFAEVDW-GHTZIAJQSA-N 372.380 4.280 0 1 FIAF CC(C)C[C@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586901027 MQOIDWSBTJLLPD-JTQLQIEISA-N 351.166 4.424 0 1 FIAF Cc1cc(N)cc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577621 LBXGUSHOLXIQBZ-KNQAVFIVSA-N 361.397 4.294 0 1 FIAF CCCCCC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400497 QCFWQDIECPWPQU-IIBYNOLFSA-N 361.482 4.451 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCCOC)c1)CC2=O 587478364 FTKOYYZQASFOIT-OAQYLSRUSA-N 370.445 4.467 0 1 FIAF CC[C@@]1(C)C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 586887215 FPFAWEQIMNUALH-INWYIAFRSA-N 361.614 4.120 0 1 FIAF Cn1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587345193 YRSJYIXQQBXHJK-CTNGQTDRSA-N 351.377 4.144 0 1 FIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587612623 MFIQVNBRUQGYMX-APWZRJJASA-N 354.383 4.165 0 1 FIAF CN(C)CCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504512 JSJUINHDFWNMKB-QFIPXVFZSA-N 365.473 4.212 0 1 FIAF C/C=C1\NNC(=O)C(c2nc(-c3ccc(SC)cc3)cs2)=C1CC 587924524 BIEUASDTARTJMW-RZNTYIFUSA-N 357.504 4.234 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3n[nH]cc3c2)N1 587799782 YLVAWEOPHWNGKY-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(COCc3cccc(Cl)c31)CC2=O 587458907 BUHBCJHQTPPIFV-FQEVSTJZSA-N 358.821 4.389 0 1 FIAF COc1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 587394354 UNTCKGQXEUSRDQ-NRFANRHFSA-N 360.413 4.354 0 1 FIAF CCS(=O)(=O)c1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 586921773 FVAYNNWLOLKCCC-UHFFFAOYSA-N 354.353 4.042 0 1 FIAF Fc1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)cn1 962642870 VGBRVBVFIQQHTO-NFBKMPQASA-N 359.448 4.057 0 1 FIAF Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2cnn(C(C)C)c2)C1 11712809 ADQIXXBPVKRDMH-HNNXBMFYSA-N 373.884 4.161 0 3 FIAF Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1 13477354 ZXUOLRALFCWKSB-UHFFFAOYSA-N 362.454 4.458 0 1 FIAF CCc1cnc(NCc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1 13674349 MTTLBWDCTWVYKK-MRXNPFEDSA-N 364.493 4.424 0 1 FIAF CCN(CC)CCCN1C(=O)/C(=C/c2ccccc2)Oc2ccccc21 169324471 ILEMSHFUDLCQFN-FXBPSFAMSA-N 350.462 4.185 0 1 FIAF O=S(=O)(Nc1ccc(-c2ccccc2)c2cccnc12)c1ccccn1 1857591857 YADPBBKFNSNWPH-UHFFFAOYSA-N 361.426 4.098 0 1 FIAF Cc1ncc(C)n2nc(-c3ccc4nc(-c5ccccc5F)[nH]c4c3)nc12 1857631825 NTMFMYRBUMKEOU-UHFFFAOYSA-N 358.380 4.091 0 1 FIAF COc1cccc2c1CCC=C2CCCN1CCN(c2ccccn2)CC1 834618 BNFNIRJQEHBDDG-UHFFFAOYSA-N 363.505 4.022 0 1 FIAF CCc1c(C)[nH]c(=O)c(N(C)CCCCCO)c1Cc1cc(C)cc(C)c1 5886184 OPOMYANLMWFFAL-UHFFFAOYSA-N 370.537 4.052 0 1 FIAF c1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)cc1 13441287 MPRVFPKBKLXAAW-UHFFFAOYSA-N 361.489 4.487 0 1 FIAF CCCCCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O 13641958 QHIMKZJSJXLEKQ-KRWDZBQOSA-N 366.870 4.463 0 1 FIAF Cc1cc(C)cc(NS(=O)(=O)c2cc(-c3cc(C)n[nH]3)ccc2C)c1 21917489 QFLXCKKJOZRUHQ-UHFFFAOYSA-N 355.463 4.111 0 1 FIAF CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 28478008 ZODZKHUBOYRAIY-ROUUACIJSA-N 351.446 4.498 0 1 FIAF O=C(O)/C(=C/c1ccc(-c2ccccc2F)s1)NC(=O)c1ccccc1 28523649 RXCJGOHYKJHOOG-ATVHPVEESA-N 367.401 4.410 0 1 FIAF CCC[C@H](CC1(C(=O)NCCc2ccc(Cl)cc2)CCCC1)C(=O)O 35982885 ODYNFQAKYMVEJJ-MRXNPFEDSA-N 365.901 4.450 0 1 FIAF CC(C)(C)OC(=O)N1CC2(C1)C(=O)N(c1ccccc1)[C@@H]2c1ccccc1 40413855 LZXSACDKWRAVTD-GOSISDBHSA-N 364.445 4.012 0 1 FIAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(Sc3ccccc3)c(F)c21 40915926 FFIVOUCEBDWFRX-UHFFFAOYSA-N 361.369 4.149 0 1 FIAF COc1cccc(N(C)S(=O)(=O)c2ccc(-c3ccsc3)cc2)c1 96937546 OIOMZDRZILJASQ-UHFFFAOYSA-N 359.472 4.249 0 1 FIAF COc1ccc(-c2cc(=O)n3[nH]c(C)c(-c4ccc(Cl)cc4)c3n2)cc1 136811439 KCETXRPSKJGZIY-UHFFFAOYSA-N 365.820 4.327 0 1 FIAF CC(C)[C@@]1(C)COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(F)cc2)n1 142128672 BPEQRBRGTNTWRD-ORAYPTAESA-N 358.417 4.160 0 1 FIAF COc1cc(CNCc2ccncc2)ccc1OCc1cccc(F)c1 299838947 WPTBJGGJQIOGQK-UHFFFAOYSA-N 352.409 4.098 0 1 FIAF O=C1C[C@@H](CCc2ccncc2)Oc2c(Br)cc(Cl)cc21 299841029 XLXNUHOYNFIQQJ-GFCCVEGCSA-N 366.642 4.464 0 1 FIAF O=C1c2ccccc2-c2cc(-c3cn4ccccc4n3)nc3ccc(O)c1c23 586988162 MLAOYSIMFOZBMF-UHFFFAOYSA-N 363.376 4.467 0 1 FIAF Fc1cnc(Cl)c2[nH]c(CCNc3ccc(Br)cc3)nc12 586995242 HWASYLRABXYMKH-UHFFFAOYSA-N 369.625 4.168 0 1 FIAF CSc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005424 IGNLGUUFOBJQCS-UHFFFAOYSA-N 355.648 4.158 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2c(C)ccc(C)c2[nH]1)C(F)(F)F 587093030 QMZRAUKMUYVMLO-GOSISDBHSA-N 363.383 4.343 0 1 FIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)ncc2[nH]1 587149447 GKVKWXVWZPLCLJ-SSDOTTSWSA-N 354.154 4.139 0 1 FIAF Fc1ccc(-n2nnc(-c3nc4ccc(Cl)cc4[nH]3)c2C2CC2)cc1 587168234 GNTIFCXYXDXOMW-UHFFFAOYSA-N 353.788 4.481 0 1 FIAF Cc1ccc(C)c2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc12 587197055 HNGKKODKGQDNDJ-OAHLLOKOSA-N 359.470 4.096 0 1 FIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(C)nccc3[nH]2)c(O)c1 587239909 BGGDABGFFILXFA-UHFFFAOYSA-N 372.428 4.129 0 1 FIAF C[C@@]1(c2cccnc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340786 VXIULXURACFUDD-NQIIRXRSSA-N 367.351 4.340 0 1 FIAF CC1(C)[C@H]2OCC[C@H]2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587359418 RPLOHTAGBZAFPG-NTPMHYTDSA-N 368.404 4.074 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2cccc(C(=O)O)c21 587409467 VCEIODJJKICAHS-HSZRJFAPSA-N 371.392 4.165 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCOC)cc1)CC2=O 587477706 FCLZPOJHDONMKO-JOCHJYFZSA-N 370.445 4.251 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1scc3c1OCCO3)CC2=O 587494572 MIIHHERHMFPGLL-IBGZPJMESA-N 360.431 4.058 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1O 587550806 YUDLQMPQKZQMFX-PXNSSMCTSA-N 368.772 4.454 0 1 FIAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587566809 BDVHEWWXOCEFJX-UWJYYQICSA-N 366.344 4.243 0 1 FIAF CC(C)c1nc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 587774349 MRRFTUHGEUSEJK-BTDLBPIBSA-N 367.262 4.497 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CC(C)(C)C2)N1 587823409 PUBTYOGCPNALJY-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587847275 KAFROQDNTWLCFM-GLEZIHRCSA-N 356.260 4.282 0 1 FIAF CCc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587850939 GQUBXGCLELIPQE-AYVTZFPOSA-N 355.276 4.231 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)cs2)N1 587852743 IJLVWNSLBNQKPI-PWCHPLFNSA-N 361.667 4.322 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCC(=O)O)c1ccncc1 963244391 WMYRDCQBTJULSB-VGSWGCGISA-N 352.478 4.237 0 1 FIAF CCOC(=O)CN[P@@](=O)(COC)Oc1c(C(C)C)cccc1C(C)C 1772587692 PRZANMBXKHVQRF-RUZDIDTESA-N 371.414 4.262 0 1 FIAF O=C(Nc1cccc(O)c1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 1772609009 HOASYGGIUUKELC-UHFFFAOYSA-N 369.384 4.064 0 1 FIAF CCN(CC)CCNC(=O)c1cc(/C=C/c2ccccc2)nc2ccccc12 1857559305 WMUOUCRMEAECPQ-CCEZHUSRSA-N 373.500 4.477 0 1 FIAF COc1cccc(-n2nc(C)c3c(-c4ccc(O)c(OC)c4)ccnc32)c1 1857578329 ROXPOGSBLNVOHG-UHFFFAOYSA-N 361.401 4.119 0 1 FIAF Cc1cc(C)c(NC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)c(C)c1 8599614 IGCAGXOBSWYGJD-UHFFFAOYSA-N 362.477 4.343 0 1 FIAF C/C=C\[C@@H]1[C@H](C(=O)OCc2c(F)c(F)c(COC)c(F)c2F)C1(C)C 11616679 KVIZNNVXXNFLMU-GKKDLHFNSA-N 360.347 4.281 0 1 FIAF CCc1c(C(=O)OC)ccc2c1CC[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC 13399945 IQEUKXWABWRDNI-VLCRHTCISA-N 358.478 4.219 0 1 FIAF biogenic C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)c3ccc[nH]3)CC[C@@H]12 26390295 VZUZYJRNXGEFQV-NSRWFMRTSA-N 366.505 4.111 0 1 FIAF Cn1cccc1CCNC(=O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@H]21 28012364 MXIABTDFHLAMNE-QAPCUYQASA-N 358.869 4.070 0 1 FIAF Cc1[nH]cnc1C1CCN(c2ncncc2-c2ccccc2Cl)CC1 36176440 COXSKRJIVKLXSW-UHFFFAOYSA-N 353.857 4.213 0 1 FIAF COc1ccc(CCN(C)Cc2coc(-c3ccccc3C)n2)cc1OC 72103099 BEKRDJAENORYFG-UHFFFAOYSA-N 366.461 4.342 0 1 FIAF COc1ccc(SC[C@@H](O)Cn2c3c(c4ccccc42)CCC3)cc1 84708834 HFCADXKSIBQXBF-HNNXBMFYSA-N 353.487 4.292 0 1 FIAF Cc1cccc(C)c1-c1cnnc(NCc2cc(-c3ccccc3)[nH]n2)n1 95562418 CQESPHFLVKBBQT-UHFFFAOYSA-N 356.433 4.158 0 1 FIAF OCc1cccc2c1[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 100722048 JADWDHBWTZLECN-GGAORHGYSA-N 370.428 4.077 0 1 FIAF CCOC(=O)/N=c1/sc(Cl)cn1-c1cccc(C(F)(F)F)c1 103293714 ONFSGTIQCPJLJW-WOJGMQOQSA-N 350.749 4.268 0 1 FIAF CCCCC[C@@H](O)/C=C/CCOC(=O)CCCCCCCC(=O)OC 169321082 IDSOQTYQQXCPBD-GPZRYRNASA-N 356.503 4.321 0 1 FIAF Cc1c(Sc2ccc(C(F)(F)F)cc2)sc2nc(=N)[nH]c(N)c12 584905323 VWQMUQCLRMRITR-UHFFFAOYSA-N 356.398 4.164 0 1 FIAF in-vitro Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(F)cnc(Br)c3[nH]2)cc1 586893061 UJCSCMKJJIFUCH-YMTOWFKASA-N 364.218 4.005 0 1 FIAF COC(=O)C[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990165 AOPMULPIBZNZPD-LBPRGKRZSA-N 373.408 4.135 0 1 FIAF FC(F)(F)[C@](F)(Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 587090166 MPDSHIVXRJAXQS-ZETCQYMHSA-N 366.927 4.297 0 1 FIAF CC(C)(C)OC(=O)N1C[C@H]2CCc3c(nc4cccc5c4c3CC5)[C@@H]2C1 587211716 IBSQIQZKGGQGFH-RHSMWYFYSA-N 350.462 4.230 0 1 FIAF Cc1nc2[nH]c(-c3ccc4ccccc4c3N)nc2cc1Br 587254733 WOZKNXXZEQQVJN-UHFFFAOYSA-N 353.223 4.431 0 1 FIAF COc1cccc(N2C[C@@H](C(=O)c3coc4ccc(Cl)cc34)CC2=O)c1 587278723 RYBDHGBXSOMRHX-LBPRGKRZSA-N 369.804 4.331 0 1 FIAF CC(=O)[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352871 JZSOZYKIAKVGLC-FPOVZHCZSA-N 356.393 4.264 0 1 FIAF CCCC[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 587410805 ZMIFKIZKYYGQAC-OAQYLSRUSA-N 353.418 4.357 0 1 FIAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587417339 CEGKMRPHWXXZHS-DCTNLQOOSA-N 369.848 4.067 0 1 FIAF COc1cc2c3c(c1)OC1(c4ccccc4CCc4ccccc41)[C@@H](C2)C3=O 587447801 VNTHYZYOOXENJH-NRFANRHFSA-N 368.432 4.485 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1oc4ccc(OC)cc4c1C)[C@@H](C2)C3=O 587456362 UOGNNXNILBHYSC-AOMKIAJQSA-N 364.397 4.421 0 1 FIAF CCn1ncc([C@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587507578 RAQDLKSOAKKOCI-FQEVSTJZSA-N 360.404 4.216 0 1 FIAF CC(=O)SCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587846716 QZRIKDRNQPSILA-RNCFNFMXSA-N 360.292 4.223 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1[C@@H]1CCCC[C@H]1O 587866346 YNXOVMQLAVLHID-HZPDHXFCSA-N 354.372 4.444 0 1 FIAF COc1ccc(CCCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1OC 587926170 JVGWFZFSDSKHHJ-UHFFFAOYSA-N 366.248 4.457 0 1 FIAF COCCCN1CCc2ccc(OC)cc2[C@]1(C)c1cccc(F)c1C 961318303 FXWSTPHQIOQRTF-QFIPXVFZSA-N 357.469 4.301 0 1 FIAF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1cc[nH]c1)N(C)[C@@H](C)C2 962574993 VDMHAZWIIJOLMV-QMHKHESXSA-N 362.473 4.200 0 1 FIAF O=C(O)c1csc2c1CCC[C@@]21NCCc2c(Cl)cc(Cl)cc21 963105328 ILBLUXZZJFZBNN-KRWDZBQOSA-N 368.285 4.479 0 1 FIAF COc1cc(-c2[nH]nc3ncc(-c4ccccc4)cc23)cc(OC)c1OC 1857595329 MMIUQRRFNIMXQK-UHFFFAOYSA-N 361.401 4.318 0 1 FIAF FC(F)(F)c1ccc(C[C@]2(COc3cccnc3)CCCNC2)cc1 1857603134 YNCMUJYZOUDEPS-GOSISDBHSA-N 350.384 4.092 0 1 FIAF CC(C)=CCCC1=CC[C@@H](C(=O)NCCC(=O)O)[C@H](c2ccccc2)C1 1911585980 HHSIFRVTFVPXEK-UXHICEINSA-N 355.478 4.444 0 1 FIAF CC=C(C)C(=O)OC[C@@H](O)COC(=O)CCCCCCCCC(C)C 2356387784 HNPJJKNQIKKJJL-SFHVURJKSA-N 356.503 4.177 0 1 FIAF Cc1ccc2nc(-c3ccc(N)c(I)c3)sc2c1 1652793 HHKCYVZNMDYRMQ-UHFFFAOYSA-N 366.227 4.459 0 1 FIAF Oc1nc2ccc(Cl)cc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12 13860982 DZKRXDCAJKISST-UHFFFAOYSA-N 364.714 4.322 0 1 FIAF COc1cc(NCCCCCNC2CCSCC2)c2ncccc2c1 26483256 OPHYIXKHYXNAKM-UHFFFAOYSA-N 359.539 4.311 0 1 FIAF O=C1[C@H]2C=CC=C2C[C@@H]1CCN1CCC(c2noc3cc(F)ccc23)CC1 26961461 GGEFSRKFXAJIQL-WMZOPIPTSA-N 366.436 4.238 0 1 FIAF Cc1cc(=O)oc2cc3oc4c(c3c(OCCCN(C)C)c12)CCCC4 27517893 ZYPPSQOHLDJPES-UHFFFAOYSA-N 355.434 4.057 0 1 FIAF COc1cc(OC)c2c(=O)c(C(F)(F)F)c(-c3ccccc3)oc2c1 28526250 CPKHPTHJNPSWOS-UHFFFAOYSA-N 350.292 4.496 0 1 FIAF Cc1cc2c(s1)c1cnn(Cc3c(F)cccc3Cl)c(=O)c1n2C 36380285 SHVSKAPAJUEYRS-UHFFFAOYSA-N 361.829 4.099 0 1 FIAF O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccco1 40861844 FAGWLARBSJETTC-UHFFFAOYSA-N 354.369 4.419 0 1 FIAF COC(=O)/C=C/c1sc(Nc2cccc(C)c2)nc1-c1ccncc1 45318854 BNUVOSAAEKUPKI-VOTSOKGWSA-N 351.431 4.443 0 1 FIAF CCC(C)(C)C(=O)Cc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2)c1 66077448 DJFGGOIKKWZUON-UHFFFAOYSA-N 365.539 4.026 0 1 FIAF CN(C)CCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1 84635408 GZAWQUKOOKUFPH-UHFFFAOYSA-N 358.445 4.028 0 1 FIAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccnc1 103530849 ZGZMJHZRYBOVAD-CYBMUJFWSA-N 368.462 4.149 0 1 FIAF O=C(O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 167030520 RVJCKCAOIOQXHL-UHFFFAOYSA-N 357.369 4.180 0 1 FIAF O=C1CS[C@@H](c2cccc(Br)c2)N1CCc1ccccc1 169342636 DDGPLNJTXLQBLL-KRWDZBQOSA-N 362.292 4.266 0 1 FIAF Cc1cc(Oc2ncccc2C(C)C)ccc1-c1c(C)c(O)nc(=O)n1C 261136359 MCWWJRPEBFJQRT-UHFFFAOYSA-N 365.433 4.080 0 1 FIAF O=C(/C=C/c1ccc(Br)cc1)Nc1cc(-c2ccccc2)[nH]n1 299869051 TWAMDRLRXABAET-DHZHZOJOSA-N 368.234 4.491 0 1 FIAF Oc1c(Br)ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586887575 VCMBZYUHHDDJTK-KZULUSFZSA-N 355.235 4.403 0 1 FIAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(C)nc4[nH]3)ccc12 586918129 IYIQAEOWXMNEFX-UHFFFAOYSA-N 363.417 4.294 0 1 FIAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)cnc3[nH]2)s1 587014394 KVYUKJMEDGJBGH-MRVPVSSYSA-N 367.272 4.250 0 1 FIAF C[C@H]1CCc2sc(-c3nc4cc(OCCN(C)C)ccc4[nH]3)cc2C1 587032757 ABXLXUDXQKIDOP-ZDUSSCGKSA-N 355.507 4.357 0 1 FIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)cc(F)c2[nH]1 587088868 TYBYETZCDQLGSL-QMMMGPOBSA-N 360.177 4.214 0 1 FIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cnc3ccccc3c2[nH]1 587112931 INWOWRIVELXLAR-AWEZNQCLSA-N 356.351 4.372 0 1 FIAF COc1c(F)ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1N 587132600 FHPLOWHXLSQQEN-UHFFFAOYSA-N 361.376 4.191 0 1 FIAF Fc1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)nc1Br 587154900 FXKPHSMRSGXJCT-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc(Br)c1F)O2 587383003 WRRBFNVGDAIDLF-ZDUSSCGKSA-N 368.177 4.324 0 1 FIAF COc1ccc(Cn2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587390929 OTXCJVMHHOKJRN-OAQYLSRUSA-N 362.429 4.142 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1cccnc1)O2 587396066 WNJSTKXKJJPYQL-OAQYLSRUSA-N 360.413 4.258 0 1 FIAF COc1ccc2[nH]c3c(c2c1)CCC[C@]31CC(=O)c2cc(C)cc(N)c2O1 587397571 XJYAXLTYWPIMLN-QFIPXVFZSA-N 362.429 4.264 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)nnc1Cl)CC2=O 587463031 VBZOHYMZMFGYOI-CYBMUJFWSA-N 353.205 4.148 0 1 FIAF O=C1C[C@@](c2ccc(F)cc2)(c2ncccn2)Oc2c1ccc1c2CCCC1 587510896 YVMAFSAHJAXZCQ-HSZRJFAPSA-N 374.415 4.404 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587513847 USJGHUKMKZXAPK-PGRDOPGGSA-N 371.477 4.347 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cccc(F)c12 587566745 AIYXZGADJRYXEM-UGKGYDQZSA-N 362.356 4.335 0 1 FIAF COCc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587596391 VLXGUZYKUDKPLJ-SIKLNZKXSA-N 362.381 4.242 0 1 FIAF COc1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601263 RSSKYZKHUDKABT-OFNKIYASSA-N 374.392 4.204 0 1 FIAF CCCn1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587762109 DHUDNOMHYRWILU-QGHHPUGFSA-N 366.278 4.127 0 1 FIAF CCCC[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587796478 KOTRWLCPFGJZAP-PIGZYNQJSA-N 372.278 4.071 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3[nH]ncc23)N1 587797321 RVDWYAGPKKXIAC-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF COc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587804564 BGORJCRYXJFFIO-QGHHPUGFSA-N 350.231 4.220 0 1 FIAF COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587805815 GFKBJFWATWENFA-BTDLBPIBSA-N 350.231 4.220 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC(=O)C2CC2)N1 587815595 NXPXDZFCLZNHEE-MGPLVRAMSA-N 354.263 4.313 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)C2(C)C)N1 587817086 HZBLDHLNGHSRBC-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3ccccc32)N1 587841228 MCXJOFZSHYHNHE-VOJFVSQTSA-N 360.226 4.272 0 1 FIAF O=C(c1ccccc1Br)n1nc2cc1Oc1ccc(F)cc1-2 587872614 PJBXSPNEECWOCP-UHFFFAOYSA-N 359.154 4.246 0 1 FIAF COC(=O)c1cccc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c12 587933891 YYBBKSSSWIEHSA-UHFFFAOYSA-N 374.396 4.398 0 1 FIAF CC(C)(CC(=O)O)Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587956396 ZMKJIXFFVSRJSC-UHFFFAOYSA-N 350.724 4.158 0 1 FIAF CCCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCC)ccc1-2 653782617 WGBDEZZYCAAAJT-UHFFFAOYSA-N 350.418 4.375 0 1 FIAF O=C(COc1ccc2oc(=O)ccc2c1)Nc1ccc(-c2ccccc2)cc1 653811114 MKPYCMKFVLHCMP-UHFFFAOYSA-N 371.392 4.478 0 1 FIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](Cc2cccs2)(c2cccs2)N1 962901662 KDGLDPYZMAKJNL-HNAYVOBHSA-N 373.474 4.034 0 1 FIAF COc1ccc(Br)c(-c2nc3ccc(Cl)cc3[nH]2)c1O 1251020165 GGQIXCRTCDMGOH-UHFFFAOYSA-N 353.603 4.360 0 1 FIAF CCOC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1 1772629517 WPKKBTJSZYWGHG-UHFFFAOYSA-N 360.464 4.199 0 1 FIAF O=C(c1ccccc1)N1CCC([C@H]2c3c(F)cccc3-c3cncn32)CC1 1857617887 JEUACNXAOCALLL-NRFANRHFSA-N 361.420 4.144 0 1 FIAF CC(C)C(=O)OCCCN1CCC2(CCC(c3ccccc3)CC2)C1=O 96019342 YJBDLCYVRXWAEC-UHFFFAOYSA-N 357.494 4.152 0 3 FIAF CN1[C@H]2CC[C@@H]1CC(NC(=O)n1cc(-c3ccccc3)c3ccccc31)C2 838089 VWPSUDFXFCKZHR-YQQQUEKLSA-N 359.473 4.491 0 1 FIAF Cn1cc(C(=O)Nc2ccsc2-c2ccccc2)c(C(F)(F)F)n1 103179493 IIERXLLBBBICGC-UHFFFAOYSA-N 351.353 4.420 0 1 FIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)C1 59262429 ZETKRQDDYKMOPO-VQIMIIECSA-N 369.553 4.370 0 1 FIAF Oc1cccc2c1[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 100722005 MGZRIZNFYLISSD-KNQAVFIVSA-O 356.401 4.290 0 1 FIAF CC[C@@H]1C(=O)N2C(C(=O)OCc3ccccc3)=C(c3ccccc3)S[C@H]12 26386597 YZJZTHCPJNTLDY-OXQOHEQNSA-N 365.454 4.040 0 1 FIAF Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(Cc1ccccc1)CC2 28570181 JQDCGBZGFDCDFI-MRXNPFEDSA-N 368.477 4.044 0 1 FIAF C[C@H]1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13 28523493 BKKGVUYVPORNKS-RVQVPXIDSA-N 372.468 4.239 0 1 FIAF CCCCCC=CCCC(=O)CCCCCCCC(=O)OC(CO)CO 2356695318 BWISWMPEIXFANG-UHFFFAOYSA-N 370.530 4.099 0 1 FIAF CN(C)c1ccc(NC(=O)Nc2nc([C@@H](N)C3CCCCC3)cs2)cc1 61929435 MRSZWKRMGABGLT-KRWDZBQOSA-N 373.526 4.433 0 3 FIAF O[C@H](COc1ccc(Cc2ccccc2)cc1)CN1CCc2ccccc2C1 219731254 AFAXWMGSIKCSQW-DEOSSOPVSA-N 373.496 4.075 0 1 FIAF O=C(c1ccc(F)cc1F)N1CCC[C@H]1c1nc(-c2cccc(F)c2)no1 71341022 XTVPCQRJLOJEFX-INIZCTEOSA-N 373.334 4.131 0 1 FIAF COc1cc2nc(N3CCC(C)CC3)nc(NCCC(C)C)c2cc1OC 82130169 ZJEOWNRWXCZXAS-UHFFFAOYSA-N 372.513 4.341 0 1 FIAF C/C=C(/C)C(=O)O[C@H]1c2occ(C)c2[C@]2(C)OC(=O)[C@H]3CCC[C@H]1[C@@]32C 238788870 YVCVHGRNXPPDDG-JIQQZBSHSA-N 358.434 4.347 0 1 FIAF CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14[C@H](CC[C@@H]1[C@](C)(C(=O)O)CCC[C@]14C)C[C@@]32C 238741440 DKYREMSYQADEHR-UMKRIWGWSA-N 360.494 4.272 0 1 FIAF Cc1ccc(-c2cc(C(=O)NCCN(C)C)c3cc(Cl)ccc3n2)cc1 2382219166 WYQVWTJRIKTLGQ-UHFFFAOYSA-N 367.880 4.155 0 1 FIAF CC(C)=CCn1c2ccccc2c2c(OC[C@@H](O)CN(C)C)cccc21 2382258071 QKLIJXLNNTYKMA-KRWDZBQOSA-N 352.478 4.062 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587244950 SNTVXBBFHLVQEJ-UHFFFAOYSA-N 371.396 4.269 0 1 FIAF CCOC(=O)CCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795775 JGOREKLXNGOQCQ-GTNSWQLSSA-N 372.278 4.071 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)c1O 587541521 FLJVULUNYMLSPK-JXFKEZNVSA-N 368.772 4.454 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c(F)c(F)c(F)c(F)c13)O2 587387979 XZDLVDDIPLQFEZ-NSHDSACASA-N 364.298 4.321 0 1 FIAF COc1cccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)c1 587638115 JGIPMQVSGJESCC-UHFFFAOYSA-N 363.291 4.287 0 1 FIAF COC(=O)CCCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587809533 RWTGFNUCKVAQIC-BXUZGUMPSA-N 372.278 4.287 0 1 FIAF COc1cncc2nc(COc3ccccc3C3SCCS3)[nH]c12 587043422 ZLAZEWOCXCDCQK-UHFFFAOYSA-N 359.476 4.024 0 1 FIAF CCOC(=O)[C@@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587107645 SMVJZHDWLUPJJC-MRXNPFEDSA-N 357.409 4.429 0 1 FIAF CCN1C(=O)C[C@@H](c2nc3ccc(OC)cc3[nH]2)[C@@H]1c1ccccc1Cl 587061503 MOZCEVVALDNDGV-KUHUBIRLSA-N 369.852 4.302 0 1 FIAF C[C@@H](Sc1ncccn1)c1nc2ccc(Br)c(F)c2[nH]1 586961822 MDGWWQUMGFZJJU-SSDOTTSWSA-N 353.220 4.108 0 1 FIAF COc1ccsc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587843644 JLIYQCQJBAWLMJ-RMLUDKJBSA-N 356.260 4.282 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2ccccc2n1 587871919 PYJZLVANGSLXOK-UHFFFAOYSA-N 361.376 4.325 0 1 FIAF O=C1C[C@H](Cc2c(Cl)ncnc2Cl)Oc2c1ccc1c2CCCC1 587499087 KZOVRRRZDNHLRB-NSHDSACASA-N 363.244 4.239 0 1 FIAF CC(=O)N[C@@H](Cc1nc2cccc(Br)c2[nH]1)c1ccc(C)cc1 587205506 BKJVHMQEAFNDCE-INIZCTEOSA-N 372.266 4.054 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(F)c1F)O2 587381857 MFJTYJOKRRFWTN-CYBMUJFWSA-N 368.177 4.324 0 1 FIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1 587750627 UUZIJXRQAMSAPW-BBATYDOGSA-N 363.274 4.277 0 1 FIAF COc1ccccc1O[C@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873998 RTYVYFMJUAMGPA-LLVKDONJSA-N 354.337 3.911 0 1 FIAF CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(C)c1O 587938083 ZFILDIYJCPUPLJ-UHFFFAOYSA-N 369.259 4.180 0 1 FIAF C[C@@H]1CCCCN1C(=O)C[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963110480 PULWSYFYOXMQSE-KZULUSFZSA-N 355.309 4.145 0 1 FIAF Cc1c([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)[nH]c2c(Cl)cccc12 963022234 IGZDLLUNUQSNPA-GTJPDFRWSA-N 365.864 4.272 0 1 FIAF CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@@]12NCCc1cc(C)c(F)cc12 962374563 LFIPYOXZGIKHJC-SELNLUPBSA-N 367.464 4.232 0 1 FIAF CNc1cc(Oc2ccc(NC(=S)Nc3ccccc3)cc2C)ncn1 1772630650 JRCHCJQIOAYJIC-UHFFFAOYSA-N 365.462 4.428 0 1 FIAF Cc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C(=O)NC2CC2)s1 169701630 HVPYHSLAUKYSHL-UHFFFAOYSA-N 357.866 4.455 0 1 FIAF Cc1cccc([C@@H](C)N=c2[nH]c(C)nc3ccc(C4CCNCC4)cc23)c1 1857599067 HHOVJWSFVJWGEM-MRXNPFEDSA-N 360.505 4.309 0 1 FIAF Cc1cccc(Cn2c(C)c(/C=C3\SC(=N)NC3=O)c3ccccc32)c1 1857649309 NXLAAYIAWKKYPO-ODLFYWEKSA-N 361.470 4.445 0 1 FIAF Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCCC2)c1 6521912 MTQIAHBNVQEGQJ-UHFFFAOYSA-N 356.466 4.259 0 1 FIAF CN(CCc1ccccc1)C(=O)Cc1ccc(-c2ccccc2)c(CO)c1 13758645 HFOOBXRATFKQMM-UHFFFAOYSA-N 359.469 4.090 0 1 FIAF Clc1ccc(CN2CCc3ccccc3[C@@H]2Cn2cncn2)c(Cl)c1 28762693 DXTRGTVZRSVNMH-IBGZPJMESA-N 373.287 4.385 0 1 FIAF CNC(=O)N1CCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 36160983 YBDDMZGLZUZRKD-LJQANCHMSA-N 364.424 4.359 0 1 FIAF C[C@@H](SC1=NS(=O)(=O)c2cc(Cl)ccc2N1)c1ccccc1 71330135 VOAGEJFKUAJMTE-SNVBAGLBSA-N 352.868 4.305 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1OC)CC2=O 73199077 SVTWZMCHLUEIGV-SFHVURJKSA-N 372.417 4.077 0 1 FIAF COc1cccc([C@H](O)c2nnc(Nc3ccc(F)c(Cl)c3)s2)c1 82082989 HLJJMAUUMGHPFZ-AWEZNQCLSA-N 365.817 4.165 0 1 FIAF CC[C@H](C)C(=O)c1c(O)cc(O)cc1OC/C=C(\C)C/C=C/C(C)(C)O 84618934 YQCPAHSZPXSDHS-PVKPBJJJSA-N 362.466 4.369 0 1 FIAF CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C)CC[C@]3(C)C(C(=O)O)=CCC[C@@H]32)C(=O)O1 95912858 LKCDRCCSEGFFNK-LDLGKWBMSA-N 362.466 4.086 0 1 FIAF biogenic,in-vitro CCCC[C@@H](O)CSC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101364529 HUOIPUKSNAXOPY-MUZUOQPUSA-N 370.555 4.266 0 1 FIAF O=C(Nc1ccc(F)c(-c2nc3ccc(Cl)nc3[nH]2)c1)c1ccco1 103271491 VQQVRKVXNGWJQN-UHFFFAOYSA-N 356.744 4.263 0 1 FIAF CC1(C)CC2=Nc3ncnn3[C@H](c3ccc(Br)cc3)C2=C(O)C1 103538704 POJKXHZMFFYLMT-OAHLLOKOSA-N 373.254 4.348 0 1 FIAF CN1C(=O)CCc2c(NC(=O)N[C@H]3CC[C@@H](c4ccccc4)C3)cccc21 169704956 LROUIROOTPZFRQ-SJORKVTESA-N 363.461 4.053 0 1 FIAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)C1 261191081 ZETKRQDDYKMOPO-LPHOPBHVSA-N 369.553 4.370 0 1 FIAF O=C(Nc1cc(Cl)c(O)cc1O)C1(c2cccc(Cl)c2)CCC1 473119846 MRKJULVYZHPSRQ-UHFFFAOYSA-N 352.217 4.465 0 1 FIAF Oc1ccccc1C1(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 586896396 DQWNVTRSNKSTCO-UHFFFAOYSA-N 364.630 4.159 0 1 FIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccnc3[nH]1)N2 587031091 LLYIABDPIKJOBB-QVIVLVACSA-N 371.491 4.085 0 1 FIAF COc1cc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2cc1OC 587133605 VWIVLIQSGQPMLI-UHFFFAOYSA-N 369.179 4.257 0 1 FIAF O=C(O)c1cc(F)cc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587137824 NGIFVCZUJYGVRK-UHFFFAOYSA-N 371.112 4.108 0 1 FIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587241665 GQYWHXQZZMPWQS-UHFFFAOYSA-N 362.433 4.099 0 1 FIAF Cc1ccc2c(ccc3nc(-c4ccc(NC(=O)C(C)(C)C)nc4)[nH]c32)n1 587244036 AGJBPCMDCZEQEZ-UHFFFAOYSA-N 359.433 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ncc1Cl)O2 587372310 KGFTYALWHAVMGD-ZDUSSCGKSA-N 367.630 4.095 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)cc1C)[C@@H](C2)C3=O 587414921 YTYNSBXKPKKMIH-KXBFYZLASA-N 373.246 4.429 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccsc4)n1)[C@@H](C2)C3=O 587452076 QGYQLKPDXLFHRT-YVEFUNNKSA-N 355.440 4.369 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccn1)CC2=O 587458122 PXYJWOMDOPWMFY-MRXNPFEDSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C1(C(=O)O)CC1)CC2=O 587480039 DYEITLVSVHKECB-QFIPXVFZSA-N 366.413 4.070 0 1 FIAF CO[C@H](C)c1ccc([C@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507098 AGDOQAVUFGMWNX-IQMFZBJNSA-N 365.473 4.092 0 1 FIAF C[C@]1(c2cnc3ccoc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588613 UFKGFTFBBKVBTA-SIKLNZKXSA-N 373.364 4.410 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCC21CCOCC1 587609149 MGRKGVPUYDFTTF-XMSQKQJNSA-N 366.413 4.073 0 1 FIAF Cc1cccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587768911 DQGMTIAGJGEDAN-XIKOKIGWSA-N 363.274 4.284 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ncccc32)N1 587778190 LJGQTYRSMFRFJP-BBATYDOGSA-N 361.258 4.097 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(O)cc32)N1 587834045 QJTKYXOGRBNBQM-XTZNXHDOSA-N 362.242 4.018 0 1 FIAF COc1ccc([C@H](c2ccccc2)c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 587938358 VMYSWDOHHIQHEP-FQEVSTJZSA-N 370.412 4.334 0 1 FIAF C[C@]1(c2cnsc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962647783 WLAMXXMWYPHORO-UNMCSNQZSA-N 361.514 4.154 0 1 FIAF Cc1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1Cl 962960413 GBLALBLSSGVYHX-XJKSGUPXSA-N 372.198 4.268 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@@H](c3cc(-c4ccco4)cs3)c3cccc1c32 963023304 JPZBMEVGSABEMW-MPBGBICISA-N 350.443 4.151 0 1 FIAF C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1)n1nnc2ccccc21 1772649011 KKLACMBYUVPIBV-MRXNPFEDSA-N 357.413 4.307 0 1 FIAF C/C=C/c1ccc(Nc2ncnc3cc(N4CCOCC4)c(F)cc23)cc1 1857587269 CECZUAQBZBQQOJ-NSCUHMNNSA-N 364.424 4.382 0 1 FIAF COc1ccc(-c2ccc(Cn3cc(-c4cccc(C)c4)nn3)cc2)cn1 1857601995 FPTCXGQQLXJRBO-UHFFFAOYSA-N 356.429 4.372 0 1 FIAF Cc1ccc(C(N)=S)cc1-c1cn(C2CCOCC2)c2cc(N)ccc12 1857619421 DPEXZXJIZOGQHA-UHFFFAOYSA-N 365.502 4.185 0 1 FIAF CC(=O)OC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]21C[C@H](c2ccoc2)O[C@H]1O 2356330188 PMNBYUWBDASBNA-JLDUFMQASA-N 360.450 4.339 0 1 FIAF O=C(NCCCc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 61936296 HMOQOFLERIGXLO-UHFFFAOYSA-N 358.441 4.302 0 3 FIAF CSc1[nH]cnc1Cn1c2cnccc2c2ccc(Br)cc21 13452982 YZHAEUGBQYUUGB-UHFFFAOYSA-N 373.279 4.445 0 1 FIAF biogenic COc1cc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)ccc1O 14763009 XDDUYHWIRGRNAR-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF biogenic O=C(COc1cccc2ccc(=O)[nH]c12)Nc1ccc(-c2ccccc2)cc1 28867909 XZBJCKSDYWPNHX-UHFFFAOYSA-N 370.408 4.213 0 1 FIAF Cc1ccc(OCCCCCCN2CCN(c3cccnc3)C2=O)cc1 29398810 BDGNRUAGBGTWEC-UHFFFAOYSA-N 353.466 4.271 0 1 FIAF c1cc(COc2ccc(Nc3nccc(-c4nccs4)n3)cc2)ccn1 40899130 ADFPRULIUQMSGJ-UHFFFAOYSA-N 361.430 4.318 0 1 FIAF C[C@@H]1c2c[nH]nc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 43176052 LAOBPIQWYIFGDO-LLVKDONJSA-N 359.838 4.000 0 1 FIAF O=C(CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)Nc1ccccc1 66128404 ABZMFMSMXUGLNP-GDNBJRDFSA-N 372.833 4.015 0 1 FIAF c1ccc(-n2cc(-c3cncc(-c4cnn(-c5ccccc5)c4)n3)cn2)cc1 82053152 RZUJJLVFISXUQO-UHFFFAOYSA-N 364.412 4.182 0 1 FIAF Cc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccccc2)oc1C 82162789 IIJZNGSZCMZYPW-MRXNPFEDSA-N 350.422 4.006 0 1 FIAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2nc(C)c(C)c2C)CC1 117300012 GSQGCFTWOSTTHY-MAEOIBBWSA-N 374.916 4.154 0 1 FIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 586891391 QHCNINJSIZNWND-YJYMSZOUSA-N 350.397 4.033 0 1 FIAF COC(=O)c1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cn1 587015724 JBNQGPNIDTVSHG-UHFFFAOYSA-N 370.821 4.188 0 1 FIAF Cc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587018885 QTNDFQISHHOANK-UHFFFAOYSA-N 363.442 4.357 0 1 FIAF O=C(Nc1ccccc1Cl)c1nc2c(Br)cc(F)cc2[nH]1 587060246 HPILRHOEAJUEJG-UHFFFAOYSA-N 368.593 4.370 0 1 FIAF Clc1ccc2c(c1)C[C@H](c1nc3ccnc(Br)c3[nH]1)O2 587081482 XLUJLLALSADYIE-LLVKDONJSA-N 350.603 4.050 0 1 FIAF COC(=O)c1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cn1 587145739 QYRXPFAGKPXEIN-UHFFFAOYSA-N 361.376 4.141 0 1 FIAF O=C(N[C@H]1CCc2c(nc3cccc4c3c2CC4)C1)OCc1ccccc1 587211055 KNZKYZRFJQBYDV-KRWDZBQOSA-N 358.441 4.117 0 1 FIAF Cc1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cc1Br 587239202 LSCIJXRWLVDVFO-UHFFFAOYSA-N 372.266 4.432 0 1 FIAF Cc1cc(Br)cc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c12 587254604 VPOCGYOGQOIXAL-UHFFFAOYSA-N 353.223 4.262 0 1 FIAF C[C@]1(CC2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360489 VPOUGJARUUPSDV-IFMALSPDSA-N 370.420 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sccc1Br)O2 587409076 GDRCKOVRLJSFHY-HNNXBMFYSA-N 352.253 4.282 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccsc1)([C@@H](O)c1ccsc1)O2 587412563 JCSDVWKKRLVYPO-RBUKOAKNSA-N 371.483 4.295 0 1 FIAF COc1ccc(-c2csc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 587413416 NGKRUVHZHMCNBP-SFHVURJKSA-N 366.442 4.416 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1ccc(Cl)cc1)CC2=O 587462200 NYGCBSIHDZWHMM-HXUWFJFHSA-N 374.820 4.032 0 1 FIAF O=C1C[C@H](c2cnc(N3CCCCC3)nc2)Oc2c1ccc1c2CCCC1 587513370 JJYZUWXOBLCCFF-HXUWFJFHSA-N 363.461 4.052 0 1 FIAF CC(C)COC(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587513651 KMCOXEBWPLPPDS-UHFFFAOYSA-N 371.477 4.158 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)c1O 587541527 FLJVULUNYMLSPK-UZLBHIALSA-N 368.772 4.454 0 1 FIAF C[C@@]1(c2coc(C3CC3)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584513 AQKPMQMRVGMEPA-UTKZUKDTSA-N 363.369 4.135 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1ccccc12 587612902 WLBLYRVJAHLJFP-REWPJTCUSA-N 374.392 4.422 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2N)N1 587726657 KDZRXMBXRHYFBZ-XYZCENFISA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ncc2Cl)N1 587738819 QVQPPTKBAWWLOR-ZIDLFYJRSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c3ncccc23)N1 587757089 MQIIOUPSTPFHQH-BTDLBPIBSA-N 374.257 4.099 0 1 FIAF CC(C)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 587793856 LVPYHYWHZIXHOJ-XXFAHNHDSA-N 353.235 4.323 0 1 FIAF c1coc(CN2CCc3sccc3[C@@H]2c2scc3c2OCCO3)c1 962710361 LLMCZXKJUTZLST-MRXNPFEDSA-N 359.472 4.322 0 1 FIAF CCCN(CCC)CCN1CCN(c2ccnc3cc(Cl)ccc23)CC1 1772645628 XSVMQJWGEGXSIX-UHFFFAOYSA-N 374.960 4.132 0 1 FIAF Cc1ccc2oc(-c3nc4ccccc4nc3NCCCN(C)C)nc2c1 1857547102 NSJSGILMMPHNTM-UHFFFAOYSA-N 361.449 4.110 0 1 FIAF COc1ccc(C(=C2C(=O)Nc3ccccc32)c2nc3ccccc3[nH]2)cc1 1857624516 QLAUNJOGYCGEFS-UHFFFAOYSA-N 367.408 4.483 0 1 FIAF C[C@H]1CCCC(=O)CCCC=Cc2c(Cl)c(O)cc(O)c2C(=O)O1 1857627618 PEPLUYBVIHVHST-NSHDSACASA-N 352.814 4.233 0 1 FIAF CC=CC=CC=CC=C[C@@H](O)CC(=O)CC=C1CC=C(OC)[C@@H](OC)C1 2356766443 HBZCURMVRPLXBZ-KNQAVFIVSA-N 358.478 4.207 0 1 FIAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccnc2)c1C(=O)c1ccccc1 199710049 BYRWSHRDPANQNR-UHFFFAOYSA-N 367.408 4.121 0 3 FIAF CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc3ccccc23)NC(=O)N1 4263306 LYRRUOQAXOPTIM-FQEVSTJZSA-N 357.413 4.106 0 1 FIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100854120 RQTWPNKOATVIPT-OXPSBXFHSA-N 352.261 4.033 0 1 FIAF Cc1cc(/C=N/NC(=O)CSc2cccc(Cl)c2)cc2cccnc12 115596956 OEJWCNMMIJEQBT-SSDVNMTOSA-N 369.877 4.439 0 1 FIAF COC(=O)[C@H]1C[C@@]23CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 100779940 USASLHCCADYMNF-WPJNFGDDSA-N 362.510 4.362 0 1 FIAF endogenous,in-man Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)Cc1c[nH]c2ccccc12 28820557 BQBJLSNVBMZCLQ-LBPRGKRZSA-N 362.882 4.039 0 1 FIAF CCOC(=O)C1(CCOC)CCN(Cc2cc3ccccc3s2)CC1 61688091 ZYVCEKUKNJVVKD-UHFFFAOYSA-N 361.507 4.083 0 3 FIAF CC(=O)O[C@H](C=C(C)C)CC(C)=CCOc1ccc2ccc(=O)oc2c1 2356466460 HBHAENAAWHAOMI-LJQANCHMSA-N 356.418 4.406 0 1 FIAF C[C@]12CCC=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 2356548998 NIPQNFNROARCSF-QISWPUJNSA-N 354.490 4.330 0 1 FIAF COc1ccc([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(OC)c1O 15261702 KCINTAABQWLKML-AWEZNQCLSA-N 368.429 4.312 0 1 FIAF biogenic COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)cc1 13436964 TYGQXJXSHGOEKP-UHFFFAOYSA-N 350.370 4.358 0 1 FIAF biogenic NCCc1cccc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)cc4)c3c2)c1 45202474 NMQLUNPVZPFEAV-UHFFFAOYSA-N 357.413 4.096 0 1 FIAF CCCCCN1CCCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1=O 199408256 JYRAMJQQZVGAIK-HXUWFJFHSA-N 352.478 4.141 0 3 FIAF CCCCCn1c(-c2cccc(O)c2)nc2c(NCC(C)C)ncnc21 82177844 FDTLLOKQPYHKKP-UHFFFAOYSA-N 353.470 4.457 0 1 FIAF Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1C1CCCC1 146752123 DOPQJZLIDGRTTR-UHFFFAOYSA-N 363.457 4.005 0 1 FIAF N[C@H]1CC[C@H](Nc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)CC1 261144515 NQGMOQOKDFPUAO-WGSAOQKQSA-N 357.461 4.231 0 1 FIAF CCOc1nn(-c2ncc(CC)cn2)c(C)c1Oc1ccccc1Cl 299862604 JXCJFLNTANQSJC-UHFFFAOYSA-N 358.829 4.378 0 1 FIAF COc1cc2c3c(c1)OC1(CCN(c4cc(C)cc(C)c4)CC1)[C@@H](C2)C3=O 587437507 JDJGRWVRQIQWBA-IBGZPJMESA-N 363.457 4.099 0 1 FIAF COc1cccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586914452 MEDIELIKXNZBNN-UHFFFAOYSA-N 360.369 4.340 0 1 FIAF O=C(c1ccc(OC2CCCC2)cc1)n1ncc2ccc(Cl)cc2c1=O 587652020 JMYSPBQJRPAPCO-UHFFFAOYSA-N 368.820 4.060 0 1 FIAF Cc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587607444 IOJAJMCRKRLZLK-DENIHFKCSA-N 362.381 4.418 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)CCN3CC)CC2=O 587475545 PKPQQOBQOSFCBH-NRFANRHFSA-N 351.446 4.434 0 1 FIAF CNc1cccc(-c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)c1 587233987 YPWXTTAIGKFLAM-UHFFFAOYSA-N 365.487 4.306 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccccn1)O2 587394005 PIFJTRMINKCINC-NRFANRHFSA-N 360.413 4.258 0 1 FIAF CC(C)CC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814928 WVJUVVHQBVWGMA-GTNSWQLSSA-N 356.279 4.343 0 1 FIAF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)n1 587510744 XXMGSWWFXBBVIR-HNNXBMFYSA-N 350.340 4.024 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(F)c2)N1 587723582 BQDWPOVWYWPEAK-HUTHGQBESA-N 368.221 4.231 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(F)cc(F)cc1F 587868309 KBZRJLQHSINJNJ-UHFFFAOYSA-N 373.256 4.379 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(C)cc21 587407737 KUARCOPXAXFAIR-DEOSSOPVSA-N 369.420 4.339 0 1 FIAF O=C1C[C@H]2CC[C@@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349203 FLQPJEGAWGUGQW-HMJGNGCJSA-N 366.388 4.018 0 1 FIAF CCCCn1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587582078 NUJXKXQFWSAOMG-GHTZIAJQSA-N 364.401 4.092 0 1 FIAF CC(C)Oc1ccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)cc1 587653582 BRZZLNFORVOCBJ-UHFFFAOYSA-N 373.865 4.082 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCCC2OCCO2)N1 587832915 LJMFPVCLFUWKSR-RISCZKNCSA-N 372.278 4.097 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 587233634 RZKQQXYTKLXFMZ-WCBMZHEXSA-N 371.268 4.426 0 1 FIAF CCCCOC(=O)[C@H]1CCC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 587486739 ZTDWMCKEZDUEGC-IERDGZPVSA-N 360.450 4.192 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(O)c(F)c2)N1 587722570 SRTZCBMFHJBQOO-NZFNHWASSA-N 372.184 4.196 0 1 FIAF COc1ccc(-c2cc3c4c(cccc4n2)CC3)c(N)c1Br 587208276 NUJGYZJFQHRTNE-UHFFFAOYSA-N 355.235 4.354 0 1 FIAF CC(C)Oc1ccc(CC[C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963023930 JCJYXWNAZRKXDQ-XLIONFOSSA-N 364.489 4.201 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1c(N)sc(C)c1C)C1CC1 963633465 IKJWWEUEUYGANE-MQJDWESPSA-N 372.534 4.152 0 1 FIAF CC1(C)C[C@@]2(CCO1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962649553 XMJYMKXQCDNMDA-URXFXBBRSA-N 362.517 4.218 0 1 FIAF CCn1cc2c(=O)n(-c3ccccc3)nc-2c2ccc(-c3ccncc3)cc21 5848379 ZMMBLKJOBALNHP-UHFFFAOYSA-N 366.424 4.374 0 1 FIAF COc1cc(OC)c2c(c1)O[C@H](c1cccnc1)[C@H](c1ccccc1)C2=O 13220545 FSMNLYWDBIFGPC-DENIHFKCSA-N 361.397 4.199 0 1 FIAF CCCCc1cc(-c2ccccc2)n(-c2ccc(S(C)(=O)=O)cc2)n1 13439559 UYTGVWPXYLXVSF-UHFFFAOYSA-N 354.475 4.285 0 1 FIAF Clc1ccccc1Nc1ncc(Br)c(Nc2ccn[nH]2)n1 203004416 FSFMIWQHNDEBQW-UHFFFAOYSA-N 365.622 4.103 0 1 FIAF COC1CCC2(CC1)Oc1ccc(Cl)cc1[C@]21N=C(N)c2ccccc21 204988427 PDPAMGOYXKELLJ-QPDBELLOSA-N 368.864 4.023 0 1 FIAF O=C(Nc1ccc(F)cc1)c1csc([C@@H](O)c2cccc(Cl)c2)n1 205218839 XGPUUTKDMXRVAA-HNNXBMFYSA-N 362.813 4.270 0 3 FIAF CCCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 13492886 YOQMOEHXCANVGD-UHFFFAOYSA-N 353.510 4.484 0 1 FIAF CC(C)N(C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)C(C)C 13824814 DLJCTJSJRRMBKX-UHFFFAOYSA-N 370.884 4.397 0 1 FIAF O=C(CC[C@H](O)CCCc1ccccc1)c1ncc(-c2ccccn2)o1 14980107 VFQRQRDNDMWSGP-QGZVFWFLSA-N 350.418 4.083 0 1 FIAF CS(=O)(=O)c1ccc(-c2ccc3c(c2-c2ccc(F)cc2)OCO3)cc1 28387938 IJKLTWVPMSEFQO-UHFFFAOYSA-N 370.401 4.292 0 1 FIAF CC(C)(C)c1ccc(OC(=O)C[C@H]2CC(c3ccc(O)cc3)=NO2)cc1 34633608 WOLOAMSCBJWWCF-GOSISDBHSA-N 353.418 4.178 0 1 FIAF COc1cc(-c2noc(N)c2-c2ccc(Cl)cc2)cc(OC)c1OC 45375031 YXCNSMFWBMJUEK-UHFFFAOYSA-N 360.797 4.270 0 1 FIAF CCCCO[C@H](C(=O)NC)c1cccc(COc2cc(C)ccc2C)c1 103199861 ADQGUKGTGMVQNB-NRFANRHFSA-N 355.478 4.486 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc(C(C)(C)C)cc1 104014195 RUOBKMBZLOUWBG-CQGUWYRNSA-N 357.450 4.405 0 1 FIAF CC(C)[C@H]1COC(=O)N1c1ccnc(NCC23CC4CC(CC(C4)C2)C3)n1 142145590 ZQVOGZLUHLFRCV-JRQWYPPZSA-N 370.497 4.086 0 1 FIAF CCCCC/C=C\C[C@H](O)[C@@H](/C=C/[C@@H]1C/C=C/CCCC(=O)O1)OC 169292797 NGVOPKDYDKTASH-SMKQVCLJSA-N 350.499 4.487 0 1 FIAF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(C)=O 238736998 VQHQLBARMFAKSV-CTWRKMMKSA-N 356.462 4.400 0 1 FIAF CC(C)(C)[C@H](N)c1nc2c(Br)ccc(Br)c2[nH]1 587257833 PHBYFLAHMHGZGY-SNVBAGLBSA-N 361.081 4.134 0 1 FIAF CC[C@]1([C@@H](C)CN(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337381 OCFHENLSDVJGKM-PRPYNDMISA-N 371.452 4.237 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3cccc(Cl)c3)c1)O2 587378156 MITRUAWFLIISMV-GOSISDBHSA-N 353.809 4.123 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1CC(=O)OCC)CC2=O 587485457 WPADOSKCPIJLBO-SPLOXXLWSA-N 360.450 4.192 0 1 FIAF C[C@@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551070 CSFAHTLPAZHOMR-XLIONFOSSA-N 367.788 4.318 0 1 FIAF CCC1(CC)[C@H](OC)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601074 QKWHVFKVAPJNCD-FGSXEWAUSA-N 368.429 4.318 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2scc(C)c12 587872617 PMRPQARJLAPEFH-UHFFFAOYSA-N 354.410 4.390 0 1 FIAF Cc1ccc(Cl)c([C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1F 963018833 CQMYEJCBBNIFTK-YUNKPMOVSA-N 358.844 4.104 0 1 FIAF CC(C)c1ccc2c(c1)[C@@]1(CCCO2)NCCc2c(C(=O)O)cccc21 963127318 XMFJWGGOQGGBKL-QFIPXVFZSA-N 351.446 4.070 0 1 FIAF CCSCC[C@@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963180023 FWBKYQYMCBIYEB-STQMWFEESA-N 367.820 4.142 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1cc2cc(F)ccc2[nH]1 963612730 TYVXTAGJIADUOH-GTJPDFRWSA-N 354.425 4.122 0 1 FIAF C=C=CCOc1ccc(COc2ccc(C=CC(=O)OC)cc2OC)cc1 2356327833 JNJBCXBDGFTVKB-UHFFFAOYSA-N 366.413 4.180 0 1 FIAF COc1cc([C@H](C[C@H](C)[C@@H](C)CO)c2ccc(OC)c(OC)c2)ccc1O 2356394957 IIOUDXQFBYWNMG-MPGHIAIKSA-N 374.477 4.205 0 1 FIAF COc1ccc([C@@H]2COc3cc(OC)c(CC=C(C)C)cc3C2=O)c(O)c1 2356521297 RDSJBMMQOCZNLR-SFHVURJKSA-N 368.429 4.277 0 1 FIAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@H](O)C[C@H](C)[C@]12C 2356675324 QYNLGACHLVBTPP-COWMIZEISA-N 360.450 4.138 0 1 FIAF O=C(NCc1cccc(Cl)c1)c1ccc(-n2ccnc2)c2ccoc12 61902818 IFMCZNVYWGSKJY-UHFFFAOYSA-N 351.793 4.202 0 3 FIAF C[C@H](NC(=O)C1CCCC1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356301624 BZEZSXYASVXHRP-JTQLQIEISA-N 362.813 4.061 0 1 FIAF Cc1cccc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(=O)O)c1 3648509 FADMNFYVMHVZHQ-UHFFFAOYSA-N 373.455 4.223 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 4049913 SIUQFDTXXHWXML-PKOBYXMFSA-N 374.843 4.487 0 1 FIAF CC[C@@](C)(Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 27525336 LKDKURXBSFNRLD-OAQYLSRUSA-N 355.434 4.117 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]43C)[C@@H]1CC[C@@H]2C(C)=O 26404662 CLPHRXGNIWYRJV-KDVMEYKUSA-N 374.521 4.347 0 1 FIAF C[C@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1 28824247 MIAURGNSNSBTNK-FQEVSTJZSA-N 372.465 4.395 0 1 FIAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]3(CCC[C@@H]3CNC3CCCC3)[C@@H]1[C@H](O)C2 2356772935 MNVCSJUUUAOHID-XCMKZIPISA-N 361.570 4.017 0 1 FIAF Cc1nccc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1 224851440 XALVRIDAPGOEBM-UHFFFAOYSA-N 373.391 4.423 0 1 FIAF COc1ccc(NC(=S)Nn2ccnc2-c2ccc(Cl)cc2)cc1 98085665 ITBKOVDZCNNHRB-UHFFFAOYSA-N 358.854 4.153 0 1 FIAF CO[P@](C)(=O)OC[C@@H]1[C@H](C=C(C)C)[C@]1(C)CO[P@](C)(=O)OC 254111171 BSAAHOUPSFVCBI-MKHVTQRSSA-N 354.320 4.177 0 1 FIAF CN1CCC(N(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C2CC2)CC1 621477884 UVSPQJRSAQOQES-UHFFFAOYSA-N 358.869 4.299 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(Cl)cc(Cl)c31)O2 587379612 JOWMPBQZKYJARR-SFHVURJKSA-N 363.244 4.476 0 1 FIAF CC[C@@H](C)c1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652589 WBIYECVZAOJDOT-CYBMUJFWSA-N 370.836 4.283 0 1 FIAF C[C@@H]1Cc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1 587616680 LVXHMMSNVYEBDO-ZGIXAACCSA-N 374.392 4.419 0 1 FIAF COC(=O)Nc1ccc(-c2nc3cc(Br)c(C)cc3[nH]2)cc1 587243029 BHMCGGHXDKANEK-UHFFFAOYSA-N 360.211 4.479 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@]2(CCc3c(nc4cccc5c4c3CC5)C2)C1 587212717 QEHXWIXZVRYTLE-QHCPKHFHSA-N 364.489 4.449 0 1 FIAF CCCN1CCCc2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 587444428 OWODQLFMUKVKNY-WZONZLPQSA-N 363.457 4.347 0 1 FIAF Cc1nc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587852838 NMXMELVYDOTWMB-BCTVWOGZSA-N 369.303 4.459 0 1 FIAF CCc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587608560 LOFSQPZXBRMBPT-SIKLNZKXSA-N 362.381 4.363 0 1 FIAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587402203 ARHLOZXNMJHNPB-CNDZOEFASA-N 351.446 4.264 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cc3ccccc3C2=O)N1 587828662 PGYMVEUHYCILPU-NSPYISDASA-N 372.237 4.227 0 1 FIAF CC[C@@]1(c2ccc(OCC(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419624 DECAKOHXHQKVFL-IERDGZPVSA-N 374.383 4.392 0 1 FIAF OCc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586978014 WQYVPJCZRGWMHP-UHFFFAOYSA-N 367.630 4.050 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)c3ccccc32)N1 587769038 MEAHPWJECGANSB-CWTRNNRKSA-N 373.269 4.330 0 1 FIAF O=C1CCC(c2ccccc2)(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 587970930 OSLOXGGZHAEOGL-UHFFFAOYSA-N 374.419 4.317 0 1 FIAF O=C(O)CCC(=O)Nc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587631843 XBZXIEVYDKETJJ-UHFFFAOYSA-N 360.772 4.431 0 1 FIAF CC(C)(C)Oc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(N)cc1F 587135992 JMUPGXZDECRMFU-UHFFFAOYSA-N 371.412 4.290 0 1 FIAF CCOc1ccc(OCC)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587439335 ABVLYALLNVQQDK-VGOFRKELSA-N 368.429 4.155 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OC)C[C@H](C)O3)CC2=O 587491202 NTIQUNPEPFQXGK-QKVFXAPYSA-N 368.429 4.383 0 1 FIAF Cc1c([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)sc2ccccc12 962900527 RHEIKZVIKFKKKX-YWZLYKJASA-N 355.434 4.211 0 1 FIAF O=C(O)c1cccc2c1CCN[C@H]2c1cc(-c2ccccc2)cnc1Cl 963124409 QFCFREJNMFPKLR-LJQANCHMSA-N 364.832 4.335 0 1 FIAF COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2ccon2)c1 11760366 VCMWTLXNUFDNNY-UHFFFAOYSA-N 374.444 4.168 0 3 FIAF Cc1cccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)c1 14946601 SLLGSTXRWOLVGY-UHFFFAOYSA-N 357.417 4.364 0 1 FIAF COc1ccc(-c2cc([C@H](O)C[C@H]3CCCCN3)c3ccccc3n2)cc1 169334761 SECBAURNHRASLF-UZUQRXQVSA-N 362.473 4.476 0 1 FIAF CCOC(=O)[C@H]1C(C)=Nc2ccnn2[C@H]1c1cccc(Cl)c1Cl 169720815 XHYVJINZHMDNGX-ZFWWWQNUSA-N 352.221 4.065 0 1 FIAF C[C@@]1(C(=O)NC2CCCCCC2)CCC(=O)N1Cc1ccccc1Cl 3587666 NEKQHLXWPLDFAI-FQEVSTJZSA-N 362.901 4.060 0 1 FIAF CCN(CC)/C(Cl)=C(Cl)\C(=C1\Nc2ccc(OC)cc21)[N+](=O)[O-] 6018623 OCPGZAIDWLQPSG-GKWZYGEFSA-N 358.225 4.055 0 1 FIAF CN1O[C@H](c2ccccc2)C[C@@]1(Cn1ccnc1)c1ccc(Cl)cc1 26146529 BBNVZZVNBCNJEY-VQTJNVASSA-N 353.853 4.440 0 1 FIAF CCOc1cccc(-c2ccc3c(c2)c(CC(N)=O)cn3CC(C)C)c1 28888243 QYLOQQGCXSIVLV-UHFFFAOYSA-N 350.462 4.391 0 1 FIAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C 66252057 WCHVNGMNPCXFCG-UHFFFAOYSA-N 356.510 4.046 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(CC(O)=C(C)C)c3O2)cc1 102944575 UDGMFQSBPUDAJA-IBGZPJMESA-N 370.401 4.207 0 1 FIAF biogenic Cc1nn(CCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1[C@@H]1[C@@H](C2)C1(C)C 104193588 QMDLUNXWUGBDBI-YTSUXIDCSA-N 369.553 4.305 0 1 FIAF biogenic FC(F)(F)CNc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1 114878069 FIAUAOCLBYJKGH-UHFFFAOYSA-N 360.261 4.389 0 1 FIAF Cc1cccc(C#CC=C2CCN(C(=O)N[C@H](C)c3ccccc3)CC2)n1 141378707 FNHKUHMKWHDZML-LJQANCHMSA-N 359.473 4.235 0 1 FIAF CC[C@H](C(=O)N[C@H]1COc2ncccc21)c1ccc(Cl)cc1Cl 146698589 NUGDKPBRJBUNTN-NHYWBVRUSA-N 351.233 4.132 0 1 FIAF COc1ccc(-c2noc(-c3ccc4c(c3)CN(C(C)C)C4=O)c2C)cn1 299857311 MUOLSQDXOHCENO-UHFFFAOYSA-N 363.417 4.085 0 1 FIAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cncnc2[nH]1 586983119 VYPJYTBDYWGIAP-CYBMUJFWSA-N 359.271 4.488 0 1 FIAF Cc1c(F)ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12 587014478 QZHHRHDIHDLXAP-UHFFFAOYSA-N 362.430 4.159 0 1 FIAF FC(F)COc1cccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)n1 587124313 NEZXSINXXQLQRJ-UHFFFAOYSA-N 359.254 4.167 0 1 FIAF CCCc1nc(-c2nc3cc(F)c(F)cc3[nH]2)nn1-c1ccccc1F 587156826 SHQXKWHHPZPXBE-UHFFFAOYSA-N 357.339 4.180 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)ccnc1Cl)O2 587377545 NKPOABBPMWVKMZ-GFCCVEGCSA-N 367.630 4.095 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc(Cl)nc1Cl)O2 587380507 VOEGZLXHDHOLGA-VIFPVBQESA-N 358.612 4.034 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)nc1C(F)(F)F)O2 587384246 YYFJNFMMVNCANI-GFCCVEGCSA-N 356.731 4.351 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cccn4)c(Cl)c1)[C@@H](C2)C3=O 587418701 AQAFURWERKSIBU-XOBRGWDASA-N 366.804 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc([C@H]4CCCCO4)s1)[C@@H](C2)C3=O 587449706 GPZUXKCICSXRTB-LRDNONRASA-N 356.443 4.487 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccccc1C)CC2=O 587470470 ODMPYWASVQNDDR-QFIPXVFZSA-N 367.445 4.406 0 1 FIAF O=NCC1=COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587501225 BPGQUCMDPQZDPH-QFIPXVFZSA-N 361.397 4.469 0 1 FIAF CNc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587743008 MWLHWSBWKCRCTO-BBATYDOGSA-N 363.274 4.428 0 1 FIAF Cc1ccc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587771544 MGEBJFWKVKMHNA-MLGOLLRUSA-N 363.274 4.500 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)n[nH]2)N1 587799792 YQLDXIDQBSAFGM-JDNHERCYSA-N 366.278 4.232 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H]2CCCCC2=O)N1 587824212 VOBVHHGZMXMOME-FMTVUPSXSA-N 368.290 4.487 0 1 FIAF CCc1csc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587856670 YPSHKDXXCFGQEM-RTHLEPHNSA-N 355.276 4.231 0 1 FIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587926969 MSVYXTXPCZLAFQ-AWEZNQCLSA-N 365.433 4.007 0 1 FIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587938348 VFRSTAZJLXSGHC-QFYYESIMSA-N 366.339 4.307 0 1 FIAF O=C1COc2cc3[nH]c([C@H](Cc4ccccc4)c4ccccc4)nc3cc2N1 587955227 IOZSFXRRZYUJGI-QGZVFWFLSA-N 369.424 4.268 0 1 FIAF COc1ccc(-c2cc(F)cc([C@H](CC(=O)O)c3ncco3)c2)c(OC)c1 1772576269 CPBATFKYTIGCLA-KRWDZBQOSA-N 371.364 4.105 0 1 FIAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@H](C)[C@@H]2CC[C@@H]34)C1 2356548815 GLIWUZBUVUGCTJ-FBPXHOOISA-N 370.581 4.384 0 1 FIAF CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C=C(C)C[C@H](C)[C@@H]1OC(=O)[C@@H]1CC 2356551197 UNBMQQNYLCPCHS-KXDSQQBTSA-N 352.515 4.159 0 1 FIAF Cc1ccccc1C(=O)c1cccn1CC(=O)NCCC1=CCCCC1 5143058 XLUHKCNUSWBTFP-UHFFFAOYSA-N 350.462 4.034 0 3 FIAF Nc1c2c(nc3ccc(Br)cc13)N(Cc1ccccc1)CC2 725599 CHFZUFVBVPJQBN-UHFFFAOYSA-N 354.251 4.142 0 3 FIAF aggregator Cc1ccc(NC(=O)Cn2cccc2C2=N[C@H](c3ccccc3)CO2)c(C)c1 4970999 IMBQKRMWAUAGDC-FQEVSTJZSA-N 373.456 4.262 0 3 FIAF Nc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c2c1 103227646 DWYBJMAZHBIRBQ-UHFFFAOYSA-N 365.452 4.027 0 1 FIAF CCC=CCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@@H]1CCCCCC(=O)O1 2356547079 XZIRYBKRPWWONW-SSTJLMRISA-N 362.510 4.079 0 1 FIAF O=C(c1cccc2[nH]ccc12)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 71296351 UOXHGECIQXHSKI-SSPYTLHUSA-N 374.484 4.460 0 1 FIAF NC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1N)CCCCCC3 49111089 ZZIIJELTXQDWLX-UHFFFAOYSA-N 351.475 4.303 0 1 FIAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(F)(F)CC4)ncn3)c2c1 221130850 ASJVKVBUONRFPY-UHFFFAOYSA-N 373.407 4.043 0 1 FIAF CC(C)=CCc1ccc(C2=C(O)/C(=C/c3ccc(O)cc3)OC2=O)cc1O 238775265 ZTGDSDBTYUOLEK-ODLFYWEKSA-N 364.397 4.474 0 1 FIAF Cc1ccccc1-c1ccnc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1 145438842 PYLMTZUQBJXIQJ-UHFFFAOYSA-N 368.400 4.233 0 1 FIAF COCC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)OC 238745442 STFTTZAROIHWSM-FMKPBVRQSA-N 366.542 4.362 0 1 FIAF O=C(Cn1nnc2ccccc21)c1nc2cc(Oc3ccccc3)ccc2o1 2382231753 FMENJRFBYBHYLR-UHFFFAOYSA-N 370.368 4.248 0 1 FIAF N=C(N)Nc1ccc(CNc2c(-c3cccc(F)c3)nc3ccccn23)cc1 653799455 VYOKBSQVFGFNED-UHFFFAOYSA-N 374.423 4.058 0 1 FIAF COc1cc2c(cc1OC)CN(CCCCC(=O)c1ccc(F)cc1)CC2 653790948 LKJLUDDUQKUINH-UHFFFAOYSA-N 371.452 4.254 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(F)cc1 587572372 SJNWNNWQWKFDHC-OALUTQOASA-N 350.345 4.104 0 1 FIAF COCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587591947 IFZIVHUDRAPZDF-KNQAVFIVSA-N 362.381 4.242 0 1 FIAF CC(C)c1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587776564 YAJDFJKUFUKTHU-HWPZZCPQSA-N 364.262 4.125 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cnccc32)N1 587777384 GZQAGUWZWTYUIP-BBATYDOGSA-N 361.258 4.097 0 1 FIAF CC[C@@H]1CCC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349794 CRSBSADWRUZXMU-YIILKADPSA-N 354.377 4.018 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccc(C=O)cc1)(C1CCCC1)[C@@H](C2)C3=O 587444073 CDBWEDZQEWYKSH-CVDCTZTESA-N 362.425 4.341 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCNc3nc(Cl)ccc31)CC2=O 587462102 PGVRKINVFOYQKC-LJQANCHMSA-N 358.825 4.069 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(OC(F)(F)F)c1)[C@@H](C2)C3=O 587424122 XMHKLIXSKQKKSJ-APPDUMDISA-N 368.282 4.222 0 1 FIAF FC(F)(F)[C@@](F)(Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 587090165 MPDSHIVXRJAXQS-SSDOTTSWSA-N 366.927 4.297 0 1 FIAF CCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587775065 YSAQRKOUTXHFEW-BMLIUANNSA-N 365.246 4.006 0 1 FIAF Cc1nccc2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc12 587190652 LZVRGQBBWFDGCY-KRWDZBQOSA-N 352.438 4.223 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513727 UDWQKUYSRFIETQ-KRWDZBQOSA-N 359.466 4.203 0 1 FIAF CCn1cc(Br)c(Cc2nc3cc(C)c(Cl)cc3[nH]2)n1 587001527 SCHAWSYZPOJHHT-UHFFFAOYSA-N 353.651 4.094 0 1 FIAF Cc1c(F)ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 587143162 YRKCIPIXWIUPSA-ZDUSSCGKSA-N 366.209 4.155 0 1 FIAF O=C(O)C[C@@H]1CCc2occc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587536943 ZCOFJWRWUAJHJY-RCDICMHDSA-N 366.413 4.056 0 1 FIAF CC1(C)C[C@]2(CC[C@@H]1O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352636 LMQXNOLOBCDKGS-IPJJNNNSSA-N 370.420 4.200 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2scnc2Cl)N1 587855839 WGAFDZSNUGWENK-KSBSHMNSSA-N 361.667 4.322 0 1 FIAF COC(=O)c1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cn1 586896008 GGATUYKFSMDYHF-UHFFFAOYSA-N 353.422 4.364 0 1 FIAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(C(=N)N)cc3[nH]2)c1 587240895 KFLZWXWOALENIW-UHFFFAOYSA-N 370.460 4.457 0 1 FIAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587243864 JRLLLGODHXLNED-LJQANCHMSA-N 371.400 4.206 0 1 FIAF O=C(O)c1cccc2c1CCN[C@@]2(c1ccc(F)cc1)c1ccsc1 963118530 CSMVNXYWPSGGOG-FQEVSTJZSA-N 353.418 4.023 0 1 FIAF Cc1ccc(CC[C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962762401 IYHHUWVUDGSQSD-UYAOXDASSA-N 361.407 4.489 0 1 FIAF Nc1c(C(=O)Nc2ccncc2)sc2nc(-c3cccs3)ccc12 144225615 WKYDMXGSNDBXRD-UHFFFAOYSA-N 352.444 4.254 0 1 FIAF O=[S@@](Cc1nc(C(F)(F)F)no1)C(c1ccccc1)c1ccccc1 1772622558 JGLPDUKBODWHIN-VWLOTQADSA-N 366.364 4.127 0 1 FIAF CCC(CC)N1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 13561122 DXWSHKYIQWAHNN-UHFFFAOYSA-N 350.506 4.229 0 1 FIAF O=C(Nc1cccc(C(=O)O)c1)Nc1ncccc1OCc1ccccc1 13680212 WTLQFNFZJIVVKO-UHFFFAOYSA-N 363.373 4.003 0 1 FIAF O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 13861870 ZMLKTTGOZOAAOW-UHFFFAOYSA-N 365.366 4.018 0 1 FIAF COc1cc2c(cc1OC)N(c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC2 1857639148 LCLZUNKTFILBGQ-ZDUSSCGKSA-N 373.449 4.202 0 1 FIAF CC1(C)C[C@]2(C[C@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)NC(=O)N1 4671250 CUNYRZOIZZZCMK-JLTOFOAXSA-N 372.852 4.138 0 1 FIAF CN(C)C[C@@H]1C[C@@H]2c3cc(C(F)(F)F)ccc3Cc3ccccc3N2O1 13437247 WPLHYZJLPBROHU-QFBILLFUSA-N 362.395 4.423 0 1 FIAF FC(F)(F)c1ccc(-c2noc(-c3occc3Br)n2)nc1 13671443 SYMWZIQCLDZKKV-UHFFFAOYSA-N 360.089 4.173 0 1 FIAF Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1cscn1 13775816 KWPXSKNHWQZFNB-HZPDHXFCSA-N 363.895 4.425 0 1 FIAF CC1(C)O[C@@H]1CC[C@]1(C)O[C@@H]1COc1c2ccoc2cc2oc(=O)ccc12 14859298 NARMSCOFUYUPNJ-LZJOCLMNSA-N 370.401 4.033 0 1 FIAF biogenic CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@]12CCCN2C 28257197 ZLVVIHOORPWHKA-PKOBYXMFSA-N 369.336 4.401 0 1 FIAF Cc1ccccc1CN1CCN2C[C@H](C)[C@](C)(c3cccc(O)c3)C[C@@H]2C1 28604386 ZCUDFWDJTWPFDX-BPUDTRNYSA-N 364.533 4.185 0 1 FIAF CCN(CC)Cc1ccc([C@H](c2cccc(Cl)c2)n2cncn2)cc1 29135359 ASDKLHHSYYTKSI-HXUWFJFHSA-N 354.885 4.411 0 1 FIAF CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@]12C 29336313 AUAUCYBUJPIJEI-ZYJVRZEOSA-N 374.521 4.059 0 1 FIAF C[C@@H]1CN(CCCC(=O)c2ccc(F)cc2)CC[C@@]1(O)c1ccccc1 29558888 JKXPWDUACRNDOH-VGSWGCGISA-N 355.453 4.018 0 1 FIAF C[C@H]1CN2CCCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075213 BOZLCOMWESJFGX-BPUDTRNYSA-N 364.533 4.266 0 1 FIAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Nc1nc2ccccc2s1 40980816 WVQIVKWQKXXDNR-LZSLGQGWSA-N 350.399 4.233 0 1 FIAF CCN(CC)CCCCCNCCNc1ccnc2cc(Cl)ccc12 45350127 LCORWPATVBVDKF-UHFFFAOYSA-N 362.949 4.402 0 1 FIAF Clc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)co1 59339314 JGXFLRNIMLCXJT-UHFFFAOYSA-N 353.853 4.317 0 1 FIAF CCOC(=O)c1ccc(NC(=O)C(CC)(C(F)(F)F)C(F)(F)F)cc1 59942251 IOENSTLKSFYRSE-UHFFFAOYSA-N 371.277 4.323 0 1 FIAF biogenic C[C@@H](C(=O)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 72104649 SXZYCRORGALMIH-NIGNBFPUSA-N 361.526 4.187 0 1 FIAF COc1cc(OC)cc(Oc2cc(NCc3cccc(F)c3)ncn2)c1 82068365 QIJADIZBDCIMIT-UHFFFAOYSA-N 355.369 4.037 0 1 FIAF COc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1 95571463 YOVHNTUSXOLMEB-UHFFFAOYSA-N 369.428 4.221 0 1 FIAF C[C@H](SC1=NS(=O)(=O)c2cccc(Cl)c2N1)c1ccccc1 95584997 QPHQPIOOQBSGRD-JTQLQIEISA-N 352.868 4.305 0 1 FIAF CCC[C@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]13 100803424 ILZGABAAVFSXBX-DWJNZPNVSA-N 353.506 4.066 0 1 FIAF CCSc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@H]2C(=O)OC)N3CCCF)cc1 101281320 LHOOAMLZVNHXAN-NQYYFHDYSA-N 365.514 4.268 0 1 FIAF CC[C@@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 101781612 UMODTPQPINIWKV-OVSDDOEQSA-N 353.506 4.066 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2Cc1ccccc1 136557298 AOTHPBKOMYVVMW-WOZUAGRISA-N 353.437 4.135 0 1 FIAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3)c12 221176762 XJIIOIPLGWEZJR-UHFFFAOYSA-N 359.389 4.387 0 1 FIAF CCc1cc(O)ccc1-c1ccc2c(C(=O)Nc3ccc(C)nc3)n[nH]c2c1 584905357 CUKXYSDQFPFABZ-UHFFFAOYSA-N 372.428 4.454 0 1 FIAF in-vitro O=C1c2ccoc2CC[C@H]1Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586907358 LPJZDMQXDIYQAZ-QMMMGPOBSA-N 352.287 4.302 0 1 FIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 587114285 RWUPLJRMVDXSLZ-JTQLQIEISA-N 359.273 4.242 0 1 FIAF Cc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1C 587132560 SKYSGERADSRLKO-LBPRGKRZSA-N 351.397 4.149 0 1 FIAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3ccccc3cc2[nH]1 587193631 CTAQRCGFKYPRRE-MRXNPFEDSA-N 368.481 4.234 0 1 FIAF O=C(N[C@H](c1ccccc1)c1nc2cc(Cl)cnc2[nH]1)c1ccccc1 587217326 CDCVQINMNXSWMN-QGZVFWFLSA-N 362.820 4.131 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O 587424180 XXXCIXRLIMNDPV-GUYCJALGSA-N 350.292 4.083 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Oc4cc(F)ccc41)[C@@H](C2)C3=O 587426365 CQGMXAOPEZYZLA-YCRPNKLZSA-N 354.377 4.038 0 1 FIAF COC(=O)c1csc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529694 BDIFVKUJTHHECA-FQEVSTJZSA-N 356.443 4.294 0 1 FIAF CCOC(=O)C[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533947 ZSNNDBHYQLEVNR-OAQYLSRUSA-N 370.470 4.441 0 1 FIAF O=C1C[C@@H](c2nc(Br)cs2)Oc2c1ccc1c2CCCC1 587536590 WYCRSRCNZASCHL-ZDUSSCGKSA-N 364.264 4.491 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2F)N1 587725546 QWBDCPZQAMNVQB-VPTHRUTESA-N 354.194 4.057 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccccn2)N1 587772034 MYDYIPRSTHSCQB-IPJYDZLXSA-N 361.258 4.446 0 1 FIAF CCOc1ccccc1-c1cccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 587780215 OJPHHBZVCFAZEL-UHFFFAOYSA-N 365.824 4.103 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3ccccc32)N1 587790347 CGBJKPAYBZXFIC-VOJFVSQTSA-N 361.258 4.182 0 1 FIAF CCCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793982 NRPBADOGWAEMIP-APPDUMDISA-N 372.278 4.071 0 1 FIAF CCOC1=C(C)[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587800750 HQNYBBGZVBMRPV-QGHHPUGFSA-N 354.263 4.422 0 1 FIAF CCC[C@@]1(CC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800754 YWPLKWUNXGQQOP-GTNSWQLSSA-N 372.278 4.071 0 1 FIAF Cc1ccc(CC[C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962762393 IYHHUWVUDGSQSD-AZUAARDMSA-N 361.407 4.489 0 1 FIAF CC1=CC[C@@]2(CC1)N[C@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963201881 SLHTUPLNAJVJLZ-LRDDRELGSA-N 359.775 4.283 0 1 FIAF CC[C@H](C)C(=O)c1c(O)cc(O)c(CC[C@@](C)(O)CCC=C(C)C)c1O 1857569640 NODMLVBVRIETCT-QKKBWIMNSA-N 364.482 4.462 0 1 FIAF CCN(C(C)=O)[C@H]1c2ccccc2N(C(=O)c2ccccc2)[C@H]2CCC[C@H]21 1857755199 BVMIUSZMZXBNPA-HJNYFJLDSA-N 362.473 4.425 0 1 FIAF O=C(CCCC=CCC=CCC=CCC=CCCCCCO)NCCO 2356340506 QRMZDMUHHZLRMH-UHFFFAOYSA-N 363.542 4.213 0 1 FIAF COc1c2c(cc3ccoc13)CC[C@H](CC=CC=CC(=O)NCC(C)C)O2 2356536202 QXUGXSMOZSERHH-SFHVURJKSA-N 369.461 4.410 0 1 FIAF COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(C)=O)N2Cc1ccccc1 4981594 LMGVVDBQPNRMPT-WQJYWUQFSA-N 365.473 4.147 0 3 FIAF C[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)NCc3ccc(Cl)cc3)C2)[C@H]2CCCCN12 201479906 MQURWIBJCXZVGI-AVCZALEUSA-N 362.901 4.218 0 3 FIAF CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F 6411252 QLRFOQAJDSEUSU-CMPLNLGQSA-N 367.783 4.090 0 1 FIAF CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)[nH]c1=O 13536144 SATAQXRRCQZNPZ-UHFFFAOYSA-N 357.498 4.251 0 1 FIAF CCOC(=O)c1c(CC)c(C(=O)SCC)c(C)[n+](C)c1-c1ccccc1 13801271 JQJKOAMUHXTNKG-UHFFFAOYSA-N 372.510 4.119 0 1 FIAF COc1cc(-c2coc3cc(O)ccc3c2=O)c(O)c(CC=C(C)C)c1O 14762949 SQUYMJWQUIVZPN-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF biogenic,in-vitro COc1ccc(Cl)cc1-c1nc(N)cc(Nc2ccc3c[nH]nc3c2)n1 26377407 NWDSUYQWSHAINV-UHFFFAOYSA-N 366.812 4.008 0 1 FIAF O=C1N(CCCCCOc2ccc(Cl)cc2)CCN1c1ccncc1 29400889 FSYNIZBHGBRIOR-UHFFFAOYSA-N 359.857 4.226 0 1 FIAF COc1cccc(CC(=O)N(C)c2cccc(-c3ccc(CO)cc3)c2)c1 66104097 URIALPUOSDOVSQ-UHFFFAOYSA-N 361.441 4.060 0 1 FIAF C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)c(-c2ccc(C(=O)O)cc2)c1 72107887 WROFRVATIQLXLH-ACJLOTCBSA-N 366.413 4.152 0 1 FIAF Cc1cc(C(N)=O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12 73158171 DXRJIOGOJQYDLW-UHFFFAOYSA-N 365.820 4.405 0 1 FIAF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccco2)oc1C 82165843 LZGYIJDPBQNWFM-BETUJISGSA-N 352.438 4.491 0 1 FIAF C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1 95578929 CTQRPHPMMNDRFL-OAHLLOKOSA-N 356.441 4.498 0 1 FIAF COc1ccc(C(=O)Cc2cc(O)c(C(=O)CCC(C)C)c(O)c2)cc1 96929673 PDRIFEMSCSPEKA-UHFFFAOYSA-N 356.418 4.151 0 1 FIAF biogenic CC(C)(C)C(=O)CSc1cc(C(F)(F)F)nc(-c2cccnc2)n1 103374784 KWZXHWXFAKKVIY-UHFFFAOYSA-N 355.385 4.265 0 1 FIAF CC(=O)Nc1ccc(CN2CCC[C@H](Nc3cccc4cnccc34)C2)cc1 114031563 LBXZGQULVZGSNR-NRFANRHFSA-N 374.488 4.270 0 1 FIAF Clc1nc2ccccc2cc1CNc1ccc([C@H]2CNCCO2)cc1 149985163 BQDOGNWVKQRWBL-LJQANCHMSA-N 353.853 4.161 0 1 FIAF COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@@H](C)CN)cc1 150200733 GKJCNYKGKAQOMV-LBPRGKRZSA-N 364.470 4.481 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CN(C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 169368868 YXKNWBJKYNIVOY-FYYUJBKDSA-N 361.526 4.029 0 1 FIAF CCS(=O)(=O)c1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586923178 ZRPPEDUOEMBNJX-UHFFFAOYSA-N 372.343 4.181 0 1 FIAF COc1cccc(-c2ccc(-c3nc4c(O)ncnc4[nH]3)c(Cl)c2)c1 587052552 UTKISXUAEQCRQV-UHFFFAOYSA-N 352.781 4.055 0 1 FIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587069216 GANADXYYSQFPER-LLVKDONJSA-N 369.774 4.400 0 1 FIAF COC(=O)c1ccnc2[nH]c([C@@H](C)Cc3cccc(C(F)(F)F)c3)nc12 587113531 MQXYVHXUICJWMI-JTQLQIEISA-N 363.339 4.110 0 1 FIAF Oc1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587115928 FRBGLMQRTFEGGY-UHFFFAOYSA-N 358.117 4.112 0 1 FIAF Fc1cccc(C2(F)CC(c3nc4cnc(C(F)(F)F)[nH]c-4n3)C2)c1 587131313 DOOSIHMCTGEAOG-UHFFFAOYSA-N 354.282 4.205 0 1 FIAF COc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1OC 587230641 VUWOJBJSAWDYDI-UHFFFAOYSA-N 360.417 4.254 0 1 FIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3c(Br)ccnc3[nH]2)c1 587241534 FJZROFQETUIDDO-UHFFFAOYSA-N 373.254 4.372 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)cs1)O2 587408330 AXVMAKFHGRYIKP-OAHLLOKOSA-N 352.253 4.282 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccccn4)cc1)[C@@H](C2)C3=O 587436285 PKWMDVQXGPEWCZ-HTAPYJJXSA-N 359.381 4.371 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccn1Cc1cccs1)[C@@H](C2)C3=O 587453142 UWCLBZLVKDEHRQ-YWZLYKJASA-N 351.427 4.095 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(OC)c(OC)cc31)CC2=O 587475592 AYHLFYWKMLDWMC-JOCHJYFZSA-N 368.429 4.169 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCC(C)(C)C[C@H]1C(=O)OCC)CC2=O 587476256 ADWUMQPBATWDGI-KSFYIVLOSA-N 374.477 4.438 0 1 FIAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587523394 IRQCNHNJWXQNJZ-QFIPXVFZSA-N 352.430 4.463 0 1 FIAF O=C1C[C@@](c2ccccc2)([C@@H]2CCCNC2)Oc2c1ccc1c2CCCC1 587526440 RHMVQJNWJGKNNS-NTKDMRAZSA-N 361.485 4.426 0 1 FIAF CCC(C)(C)c1ccc(OCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 587565923 XDIAXWPWKLAXRM-UHFFFAOYSA-N 350.422 4.411 0 1 FIAF CC(C)c1nccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587773809 JTVAALSJHOZRFZ-MGPLVRAMSA-N 364.262 4.125 0 1 FIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(Cl)c(OC)cc3[nH]2)cc1 587783846 AYSXPFOHUIENOA-OLZOCXBDSA-N 356.809 4.168 0 1 FIAF Cc1ncsc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587852993 KBOWTWKILKORLW-AYVTZFPOSA-N 355.276 4.151 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1Cl 587868778 SNPJAVZRZFFGEK-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(F)(F)F)nc1 587870549 CKUPDNPPDGGXLY-UHFFFAOYSA-N 351.303 4.491 0 1 FIAF C[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C[C@]12NC[C@H]1CC(=O)N(C)c3cccc2c31 963029200 POOKGXJUZYDWEF-WKDCKRSOSA-N 350.506 4.027 0 1 FIAF CCOc1c(F)cc(F)cc1[C@H]1NCCc2cnc3c(OC)cccc3c21 963052760 HATFRGSJBNVBNI-HXUWFJFHSA-N 370.399 4.155 0 1 FIAF COc1ccc2c(c1)[C@@H](c1cncc(C)n1)N(Cc1ccc(F)cc1)CC2 963304714 VEYWZJASFOLFKZ-QFIPXVFZSA-N 363.436 4.080 0 1 FIAF CN(c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1)C1CCCCC1 2499566 FLXYKPCXTPVJTJ-UHFFFAOYSA-N 366.440 4.229 0 1 FIAF CN(C)C(=O)Oc1cccc(OCCOc2ccc(C(F)(F)F)cc2)c1 103172148 JUPCKJLSFGMCOA-UHFFFAOYSA-N 369.339 4.224 0 1 FIAF COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4ccccc4)nc3)c2c1 29040651 GYCNADMMNFABKK-UHFFFAOYSA-N 371.440 4.211 0 1 FIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)C[C@H]3O 29127677 PKRFUEHGRHZIHD-SMDDNHRTSA-N 356.418 4.134 0 1 FIAF CCCCNC(=O)c1ccc2nc(CC)c(N(C)Cc3cccs3)n2c1 61902646 MJZHKWQUYGIKOU-UHFFFAOYSA-N 370.522 4.125 0 3 FIAF COC(=O)c1sc2cc(Nc3cc(OC)ccc3Cl)cnc2c1N 66258929 LGGGQJRUKBTIQD-UHFFFAOYSA-N 363.826 4.071 0 1 FIAF O=Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 34044339 OWVQJXYAZRFFKR-UHFFFAOYSA-N 362.379 4.071 0 1 FIAF CC(=O)OC[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC[C@H]1C(=O)OC[C@H]12 34746133 JCFWGACKWZGXBV-KVBTWZCSSA-N 362.510 4.362 0 1 FIAF CCCC[C@H](O)C1=CC[C@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@H]3C1 40511512 DJYWGBMTZMYDEB-LUKWVAJMSA-N 355.522 4.081 0 1 FIAF CCOC(=O)c1c(O[C@H]2CCCC[C@H]2C)cc(Cc2ccccc2)[nH]c1=O 95591317 FWOVIMRVMZFCMB-QAPCUYQASA-N 369.461 4.100 0 1 FIAF NC(=O)c1ccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1 144746023 FRPWDZCNAXVRHB-HXUWFJFHSA-N 369.342 4.231 0 1 FIAF NC(=O)c1ccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)cc1 95920720 WTPGNNPEEJSILJ-UHFFFAOYSA-N 373.338 4.082 0 1 FIAF in-vitro N=c1nc(-c2nc(O)c3ccccc3n2)cc(-c2cccc3ccccc23)[nH]1 2382221073 SEYWERACHMOONF-UHFFFAOYSA-N 365.396 4.025 0 1 FIAF C[C@]1(c2cc[nH]c3nccc2-3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589097 NMBXCTXLLLJDOE-XMSQKQJNSA-N 372.380 4.097 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)cs1 587610206 FIESUGVZJVEREB-XJKSGUPXSA-N 359.790 4.205 0 1 FIAF CC[C@H](C)Oc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401468 RGYMLNDAWPTALJ-DJJJIMSYSA-N 355.434 4.470 0 1 FIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(F)c(F)c2[nH]1 587042146 IMZXYDQUNUUHOR-LBPRGKRZSA-N 365.792 4.150 0 1 FIAF Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1C 587850654 DUXJNIICTWGYFS-UOWDBTKRSA-N 355.276 4.285 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)cc1C(=O)O)CC2=O 587460988 IGDHDFUVXNUBFN-KRWDZBQOSA-N 360.793 4.403 0 1 FIAF CN1C(=O)C[C@H]2CNC3(c4ccsc4-c4sccc43)c3cccc1c32 963034301 RFGTWBYYXBBRJW-NSHDSACASA-N 364.495 4.135 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cnc(SC)nc2C)N1 962943347 GQDXMCFCALOKQQ-ZUOKHONESA-N 352.507 4.176 0 1 FIAF Cc1ccc(C)c(C[C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962659314 FCOGGPYXLJKJMU-ZJSXRUAMSA-N 374.484 4.234 0 1 FIAF COc1ccc2c(c1Cl)CCN(Cc1ccc([C@@H](C)NC(C)=O)cc1)C2 1772624234 ALNOKYGIIBSHHV-CQSZACIVSA-N 372.896 4.104 0 1 FIAF C[C@H](Cc1ccc(-c2ccc3cnn(-c4ccccn4)c3c2)cc1)C(=O)O 1772611962 GCSJWOJPWPYSCO-OAHLLOKOSA-N 357.413 4.351 0 1 FIAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@@H](C)c1c(F)cccc1Cl 1772636454 QSWXBXSDEQWIGI-NSHDSACASA-N 373.815 4.369 0 1 FIAF CCCN1CCC[C@@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 11879528 CRMRGGMENDBTAY-GOSISDBHSA-N 352.478 4.423 0 1 FIAF CC/C=C/CO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O 13642007 FHQCBTSYENFAFR-LAQIPUCWSA-N 364.854 4.239 0 1 FIAF CC[C@@H](C)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21 205827735 MYWNZTHIEBCRIC-OAHLLOKOSA-N 365.477 4.156 0 1 FIAF N#CN[C@H]1CCc2ccc(-c3nc[nH]c4ncc(-c5ccccc5)c3-4)cc21 1857772843 LOSIDNZHKAVMKF-IBGZPJMESA-N 351.413 4.301 0 1 FIAF C[C@@H](CCCc1nnn[nH]1)c1cccc(OCc2ccc3ccccc3n2)c1 26722048 PBGVAFUTEIUHFM-INIZCTEOSA-N 373.460 4.453 0 1 FIAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H](C)CO[C@]3(C)CCC=C(C)C[C@H]4O[C@H]3[C@@H]2[C@H]41 2356476634 MDSDQZGJBVBIFN-CKOIRWPRSA-N 362.510 4.129 0 1 FIAF CCC=CC[C@H](O)C=CC=CCC=CC=C[C@@H](O)C=CCCCC(=O)O 2356594102 JBRPFYYLEQERPG-LEWJYISDSA-N 360.494 4.491 0 1 FIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)CC(=O)N4C 36387862 OFWQOFUKQKBZTE-ZPMMQOAOSA-N 361.526 4.173 0 3 FIAF Cc1cc(C)cc(Sc2c(C(=O)NCCO)[nH]c3ccc(Cl)cc23)c1 35001622 DNSPBDIYTPVNIU-UHFFFAOYSA-N 374.893 4.311 0 1 FIAF CCOc1cccc(-c2nc(CNCCc3cccc(OC)c3)co2)c1 72185133 BHDKDLBDCSRJPY-UHFFFAOYSA-N 352.434 4.081 0 1 FIAF COc1ccc2c(c1O)CCCC(c1cc(OC)c(OC)c(OC)c1)=C2 34851534 ZKXWBTPUGCOTGI-UHFFFAOYSA-N 356.418 4.304 0 1 FIAF CC(C)COc1cccc2occ(Cc3ccc(C(=O)O)cc3)c(=O)c12 49803555 NZQVBQCLVRDJHS-UHFFFAOYSA-N 352.386 4.117 0 1 FIAF O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1c1nsc(O)n1 45301695 JPIFEARTMAHGNC-NEPJUHHUSA-N 372.277 4.463 0 1 FIAF COc1ccc(CCNc2cc(-c3cc(C)ccc3C)ncn2)cc1OC 82160700 PCWZUCHVHMOBFZ-UHFFFAOYSA-N 363.461 4.432 0 1 FIAF Cc1ccc(O)c(C(=O)c2ccc(-c3cc4ccccc4oc3=O)nc2)c1 98085363 DQGZWAAODURSHH-UHFFFAOYSA-N 357.365 4.100 0 1 FIAF Brc1ccnc2[nH]c(Cc3csc(-c4ccco4)n3)nc12 587016639 AHOVIYOEFULBRA-UHFFFAOYSA-N 361.224 4.028 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586963141 KVOUKEPONGJNCG-QMMMGPOBSA-N 370.265 4.312 0 1 FIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(CO)ccc3[nH]2)cc1 586879709 PXXFGWAOMSDOPZ-UHFFFAOYSA-N 358.397 4.396 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC3CCCC3)cc1O)O2 587402867 IRHYTMGLHCGHCH-FQEVSTJZSA-N 353.418 4.311 0 1 FIAF COC(=O)c1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cn1 587075506 FVICUZFAAKHEOF-UHFFFAOYSA-N 364.792 4.127 0 1 FIAF CCCn1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587764491 QFYVZJLTSSUESK-QGHHPUGFSA-N 366.278 4.127 0 1 FIAF C[C@H](CC1CCOCC1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610270 PQULSYOYPAZNHO-JSVDNDDVSA-N 368.429 4.175 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn3ccccc3n2)N1 587776979 ZQXQLQMPWKWWKL-VOJFVSQTSA-N 374.257 4.034 0 1 FIAF COc1cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1C 587167636 PHFNZQLLYNBYKW-QGZVFWFLSA-N 368.412 4.388 0 1 FIAF Cc1ccccc1-c1cc(O)n(-c2c(N)cccc2Br)c1O 587937666 VBXOUKBEQNBVOD-UHFFFAOYSA-N 359.223 4.209 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4ccnc4)cc1Cl)[C@@H](C2)C3=O 587417997 GFUKEHPXRKRELJ-YWZLYKJASA-N 366.804 4.023 0 1 FIAF O=C1C[C@H](c2ccccc2N2CCOCC2)Oc2c1ccc1c2CCCC1 587518085 AFSDHFQRTQYZSY-JOCHJYFZSA-N 363.457 4.109 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(F)c1 587655324 BRYCXVUSOHXNNP-UHFFFAOYSA-N 352.315 4.470 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccoc2c1 587589535 XTOGCRKZDHSSCH-GHTZIAJQSA-N 359.337 4.236 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CCc2cc(O)ccc21 587402718 BROMHALZQUGHEW-DEOSSOPVSA-N 371.436 4.290 0 1 FIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)ncc2[nH]1 587149448 GKVKWXVWZPLCLJ-ZETCQYMHSA-N 354.154 4.139 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(F)c1)[C@@H](C2)C3=O 587425224 AGFTVGPBCWSLHD-GTNSWQLSSA-N 363.182 4.086 0 1 FIAF CC(C)(C)OC(=O)Nc1c(C2CCC2)[nH]c2ccc(S(C)(=O)=O)cc12 587650291 IYUKQSLJIFPVIL-UHFFFAOYSA-N 364.467 4.186 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc4cccc(OC)c4o1)[C@@H](C2)C3=O 587447889 ABWCYEFEDDQRQR-LHSJRXKWSA-N 350.370 4.113 0 1 FIAF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O 587521647 DRQNJHZPJBAWFA-HXUWFJFHSA-N 366.413 4.369 0 1 FIAF CCOc1ccc2nc(-n3ncc4ccc(Cl)cc4c3=O)sc2c1 587653085 CFPSLBBAOQZKRU-UHFFFAOYSA-N 357.822 4.048 0 1 FIAF Cc1cc2c(cc1F)[C@@H](c1cccn1-c1nccc(-c3ccco3)n1)NCC2 962303882 XZTLHSYXTKHNNN-NRFANRHFSA-N 374.419 4.210 0 1 FIAF CC(C)(C)n1cc(O)c([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)n1 962666626 KXFQIBNVQMTJJO-HSZRJFAPSA-N 361.489 4.420 0 1 FIAF CCCCOc1cc(Br)cc(Nc2cc(C)nc(N)n2)c1 1772587646 MWMYIBALPZXEIB-UHFFFAOYSA-N 351.248 4.052 0 1 FIAF CN1CCC[C@@]2(CCN(Cc3ccc(-c4ccccc4Cl)o3)C2)C1=O 12195712 XWNRFBZPBKXWOT-FQEVSTJZSA-N 358.869 4.044 0 1 FIAF C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@]1(C)c1cccc(C(N)=O)c1 13587989 SYACNGUASVLLLQ-BXKMTCNYSA-N 373.500 4.133 0 1 FIAF O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1cccc(=O)[nH]1 169329343 DHLWJPIVRDOTFQ-UHFFFAOYSA-N 373.437 4.418 0 1 FIAF CO[C@@](C(=O)OCC[C@@H]1CCCN1C)(c1ccccc1)C1CCCCC1 169365696 BUABEPGVYMMDKB-UNMCSNQZSA-N 359.510 4.136 0 1 FIAF O=C1c2c(nc3ccccn23)NC(c2ccccc2)=N[C@H]1Cc1ccccc1 200213140 HVVZNLZQRBENCP-SFHVURJKSA-N 366.424 4.001 0 1 FIAF COc1cc(OC)c(-c2cn3ccc(C4CCNCC4)cc3n2)cc1Cl 1857584584 ODMUHSAEJNIXRM-UHFFFAOYSA-N 371.868 4.139 0 1 FIAF COc1ccccc1Nc1nccc(-c2ccc(C(N)=O)c(C(C)C)c2)n1 1857751231 BWXJXZTVSHIZDT-UHFFFAOYSA-N 362.433 4.118 0 1 FIAF COC(=O)c1cccc(Cl)c1NC(=O)c1ccccc1Br 28956433 USRKLRDFYXBOAR-UHFFFAOYSA-N 368.614 4.141 0 1 FIAF CCN(CC)C[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 27328534 ZSNPTGYVRMEOHR-OAHLLOKOSA-N 357.325 4.259 0 1 FIAF CCOC(=O)c1c(C)nc2c(c1N)c1ccccc1n2Cc1ccccc1 29567088 UAFCRJXXFSNYTF-UHFFFAOYSA-N 359.429 4.305 0 1 FIAF Nc1c2c(nc3cc(Br)ccc13)N(Cc1ccccc1)CC2 29219057 SWCYYFWTDCDODE-UHFFFAOYSA-N 354.251 4.142 0 1 FIAF O=C(Nc1ccc(F)cc1)[C@@H]1C(=O)N2c3ccccc3Cc3cccc1c32 26156479 VDYLXJQLHZWBDY-LJQANCHMSA-N 358.372 4.131 0 1 FIAF CCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@@H]2c1ccc(CC)o1 65488971 HKVRTPXWRZTKSI-AWEZNQCLSA-N 356.422 4.063 0 1 FIAF COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1 63298365 GQLWKGVBOIYMTN-UHFFFAOYSA-N 363.442 4.230 0 1 FIAF CCCCc1ccc(-c2nc(CN3C(=O)c4ccccc4C3=O)co2)cc1 72183275 VMUJQQRBSUTHOZ-UHFFFAOYSA-N 360.413 4.480 0 1 FIAF Cc1ccc(CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1 72139434 ZKCFTXPLPDEXMB-UHFFFAOYSA-N 359.351 4.334 0 3 FIAF CCC(CC)c1nc2c(NCC(C)C)ncnc2n1CCN1CCCCC1 82178157 PALYIOGEOWTGRD-UHFFFAOYSA-N 372.561 4.284 0 1 FIAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C(C)=O)CC3)cc12 226077175 WBXXHYPWIWFDON-UHFFFAOYSA-N 367.424 4.104 0 1 FIAF CNCCNCc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 45195503 OTCOPJXCSLBASY-UHFFFAOYSA-N 356.473 4.206 0 1 FIAF CCCN(C=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 146839728 XHPVQFBYVYPXDZ-WCBVEAOTSA-N 374.569 4.087 0 1 FIAF CC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc23)O1 299833882 ALRLTZFAQOPAFE-UHFFFAOYSA-N 362.381 4.415 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(O)c2F)N1 587716761 DTGCAQVWJQGSNT-ZIDLFYJRSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc[nH]c3n2)N1 587801243 FETSSCXSXHYWQY-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(C)nc4scc(C5CC5)n14)[C@@H](C2)C3=O 587452392 MKZQHJQPHRFZGM-DJJJIMSYSA-N 366.442 4.079 0 1 FIAF CC(C)[C@@](C)(O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586888538 KOMWNSUKPKUVEX-GFCCVEGCSA-N 351.166 4.208 0 1 FIAF Cc1ccn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc2c1 587585620 FJZTZYWOVOKMBV-UGKGYDQZSA-N 372.380 4.051 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(Br)c2C[C@@H]1C 587372714 QYCMBJBFSVQFLA-JEOXALJRSA-N 372.262 4.393 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(Cl)nc1 587658284 JWPOMXSOTOJBJL-UHFFFAOYSA-N 351.768 4.240 0 1 FIAF C/C=C(\Br)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587669562 FBAHBTLXPYOWNE-WYTBKAEFSA-N 363.068 4.462 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc3cnccc23)N1 587776792 DMYRWFNLZRSYCQ-XTZNXHDOSA-N 372.241 4.155 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(F)cc1 587572373 SJNWNNWQWKFDHC-RBUKOAKNSA-N 350.345 4.104 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)OC2(C)C)N1 587829370 CABDZVWLKKRRNH-BTDLBPIBSA-N 356.279 4.295 0 1 FIAF FC1(F)Oc2cc3nc(Cc4csc(-c5ccco5)n4)[nH]c3cc2O1 587017914 QYXURBADWQDHGH-UHFFFAOYSA-N 361.329 4.192 0 1 FIAF CCOC(=O)[C@@]1(c2ccccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587524539 RYDNEKMQLOQFRB-QHCPKHFHSA-N 364.441 4.298 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c(C(=O)O)c1)CC2=O 587479170 LDOKAVJDOCJLGI-IBGZPJMESA-N 370.401 4.148 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccccc4)[nH]c1Cl)[C@@H](C2)C3=O 587418802 CWUOFWTWRHYXCR-SCLBCKFNSA-N 366.804 4.227 0 1 FIAF CC(C)c1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587587722 PONGBRPZLAAKRH-XLIONFOSSA-N 362.385 4.009 0 1 FIAF NC(=O)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151499 ZGMHTABBCOUISQ-LJQANCHMSA-N 360.392 4.002 0 1 FIAF CO[C@H](c1cncs1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587857304 ZOMUAZGLCADSQA-KBOAJJQZSA-N 371.275 4.008 0 1 FIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccsc2)N1 963201942 UOOLBVSBZRFSKT-QWHCGFSZSA-N 361.772 4.109 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2coc3cccc(OC)c3c2=O)N1 962950383 MSVQFUAMRHOACE-MCMMXHMISA-N 374.440 4.297 0 1 FIAF CCOC(=O)c1ccc2nc3n(c2c1)[C@@H](c1c(F)cccc1F)SC3 13162077 RSJYDJPPEQBFLX-QGZVFWFLSA-N 360.385 4.285 0 1 FIAF COc1c2c(c(OC)c3occc13)O[C@@H](c1ccccc1)[C@H](OC)[C@H]2OC 13480413 DUBHYVXCUVFSJU-QSFXBCCZSA-N 370.401 4.286 0 1 FIAF CC1(C)Oc2c(cc3c(=O)cc(C(=O)O)oc3c2Cl)-c2ccccc21 169316379 WLXQUTQSXWRDEM-UHFFFAOYSA-N 356.761 4.439 0 1 FIAF COc1cccc(F)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc2ccccc2n1 167144024 PQPRPIGDFBVOQJ-AUUYWEPGSA-N 364.420 4.492 0 1 FIAF CC(C)c1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 2472341 KUNDQOUNLAGZRM-ROUUACIJSA-N 351.429 4.269 0 1 FIAF CN(Cc1ccco1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 4267325 PBJIOVQCYBRCRK-UHFFFAOYSA-N 359.385 4.255 0 3 FIAF CCCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@H](C)CC3=O 29132928 PTJFQWDFNUUMQR-VXGBXAGGSA-N 354.402 4.283 0 1 FIAF CC1(C)CCOc2c(Cl)cc(C(=O)Nc3ccc(C(=O)O)cc3)cc21 26283674 MNHNGQBBHIZKDQ-UHFFFAOYSA-N 359.809 4.351 0 1 FIAF CN(C)Cc1nc(O)c2sc3ccc(-c4cccc(F)c4)cc3c2n1 45286416 QNIVGJHTGPNPHG-UHFFFAOYSA-N 353.422 4.418 0 1 FIAF CCCCNC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccc(C)cc1 40617104 JCYSDBKVHHZLNV-LJQANCHMSA-N 351.494 4.494 0 1 FIAF CO[C@H]1O[C@H](OC)C2=C1[C@H]1C[C@H]1[C@H](C)C[C@@H](O)[C@H]2[C@H](C)CCC=C(C)C 140724384 DATTZPFKKNYKHD-VEXRBORRSA-N 364.526 4.294 0 1 FIAF O[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 143299162 BBMXHMMGPRLFBR-JWQCQUIFSA-N 372.512 4.279 0 1 FIAF Nc1ncc(-c2cc(C3CCOCC3)n(C3CC(F)(F)C3)n2)cc1Cl 146500105 BIOGZUDPIASOBB-UHFFFAOYSA-N 368.815 4.045 0 1 FIAF CCOc1ccc(-n2nnc3cc(NCc4ccc(CC)cc4)cnc32)cc1 95594287 YUVGOUASBRZESW-UHFFFAOYSA-N 373.460 4.389 0 1 FIAF COCCCCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1 2382223465 FTDHXQPBDHXEIH-OFAXGOBFSA-N 359.554 4.346 0 1 FIAF CCOC(=O)CSc1nc2cccnc2n1-c1c(C)cc(C)cc1C 2382230629 ZODHDRAJDLDGLY-UHFFFAOYSA-N 355.463 4.001 0 1 FIAF C[C@H]1CCC[C@@H]1NC(=O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95598018 QNEFGNKZMJLFIA-WFASDCNBSA-N 361.873 4.002 0 1 FIAF O=C1C[C@H](c2ccnn2[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 587517291 KJOFQNUPXGVWEH-WOJBJXKFSA-N 352.434 4.168 0 1 FIAF COC(=O)c1[nH]c(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587523280 HGFMBZHPYCZTGI-JOCHJYFZSA-N 367.445 4.178 0 1 FIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(N)c(N)cc2[nH]1 587247454 MJTMEVADCBHMQO-UHFFFAOYSA-N 359.433 4.142 0 1 FIAF O=C(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)OCc1ccccc1 587782296 RUBOPMKFLXEFNN-UHFFFAOYSA-N 352.287 4.007 0 1 FIAF Nc1cccc2c1Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987626 PHGIFSFAMNCVGQ-UHFFFAOYSA-N 350.377 4.305 0 1 FIAF O=C1C[C@@H](c2ncccc2Br)Oc2c1ccc1c2CCCC1 587504197 QEQOWUVZRWMEBW-INIZCTEOSA-N 358.235 4.429 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccnc1F 587566626 AAOOPOIFMAABKU-CRAIPNDOSA-N 371.751 4.283 0 1 FIAF CC(C)O[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587602513 YEVBFZGLFIBFEA-KGVIQGDOSA-N 368.429 4.316 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1cccs1)(c1nccn1C)CC2=O 587493397 GQIHVEHJSUEVLT-HXUWFJFHSA-N 368.458 4.049 0 1 FIAF Cc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Cl 587194660 XJJVRRWKEFMNBT-ZDUSSCGKSA-N 366.893 4.042 0 1 FIAF CO[C@@H]1[C@H](C)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C 587356642 QUUWJSNLRVXYNJ-OCFNGMQBSA-N 370.420 4.320 0 1 FIAF CCc1ccc2c(c1)[C@]1(CC(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587531102 IIIOCPGSARKAIQ-HSZRJFAPSA-N 362.425 4.298 0 1 FIAF N=C(N)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587157585 BKUCKNLBYHFSQK-UHFFFAOYSA-N 358.376 4.133 0 1 FIAF Fc1c(F)c(F)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1F 587039224 CXCDYMXEEQLDEH-ZJUUUORDSA-N 367.371 4.066 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(CSCc3ccsc3)nc2c1 587028710 ZMOFMRQCIVSGGY-UHFFFAOYSA-N 352.868 4.498 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)C1CC1 587586949 MELSDNKMWWBYOP-SIKLNZKXSA-N 359.381 4.054 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN2CCCCC2)N1 587768413 VBFOQYLTZGGRSE-UGSOOPFHSA-N 369.322 4.214 0 1 FIAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc1 587067711 LVTFSRZDQRWFFS-UHFFFAOYSA-N 371.227 4.438 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1csc(-c4ccsc4)n1)[C@@H](C2)C3=O 587452075 QGYQLKPDXLFHRT-SJCJKPOMSA-N 355.440 4.369 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc(Cl)c2)N1 587703277 GPAQSNUHKQXNAX-XXFAHNHDSA-N 369.665 4.434 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1cc(Cl)cnc1Cl)O2 587379286 HKXXDCWISZUNRE-QGZVFWFLSA-N 351.233 4.246 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1cccc(Cl)c1Cl)NCC2 962923491 HWNOEPPILCUFHG-IBGZPJMESA-N 363.288 4.104 0 1 FIAF Cc1ccc(Nc2nc(NCc3ccco3)nc3nccnc23)cc1Cl 13010932 RSZDOJHFCDQQLP-UHFFFAOYSA-N 366.812 4.330 0 1 FIAF COCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1)[C@@H]23 169334436 AHTYDNRPGBDJIZ-ODAXIHTASA-N 356.554 4.178 0 1 FIAF CCCCOc1nc2ccccc2cc1[C@@H]1CNC(=O)c2ccccc2N1 1857745591 LUJBAMOKZWVHOR-FQEVSTJZSA-N 361.445 4.310 0 1 FIAF COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CO)c(C(C)(C)C)c1 7992102 LVONHWRLBWQDCP-CEMLEFRQSA-N 368.473 4.429 0 1 FIAF CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]2C(=O)O 104701344 QPQWEZDEJJESTO-XOUADPBQSA-N 367.367 4.337 0 1 FIAF Cc1ccc(S(=O)(=O)N2CCC(Br)=C[C@@H]2CC(C)C)cc1 28704333 UPYSAAYJBWTBBQ-HNNXBMFYSA-N 372.328 4.083 0 1 FIAF CCOC(=O)[C@H](Cc1ccccc1)Nc1nc2ccc(CC)cc2s1 28018804 HKJLSGJNAZPUBE-KRWDZBQOSA-N 354.475 4.445 0 1 FIAF CC(=O)O[C@@H]1C[C@]2(O)C(C)(C)CCC[C@]2(C)[C@@H]2Cc3occc3[C@@H](C)[C@@H]12 2356417638 HOCAOPOBPZNWHL-LPLXKKELSA-N 360.494 4.455 0 1 FIAF CCOc1ccc(-c2nnc3n2N[C@H](C=Cc2ccccc2)S3)cc1 2356844483 NVPBDTXWXKSCKX-KRWDZBQOSA-N 350.447 4.033 0 1 FIAF CC[C@@H]1CN(C(=O)Nc2ccccc2)CC[C@H]1CC(=O)Nc1nccs1 25429958 NUNVCDFYQSKZTK-CABCVRRESA-N 372.494 4.052 0 1 FIAF biogenic COc1cc(OC)cc([C@H]2N=Cc3cccn3[C@@H]2C(=O)c2ccccc2)c1 2382239447 WIJYESZFLODZAQ-RTWAWAEBSA-N 360.413 4.103 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(F)cc(F)c1 587658278 JOFVULNFTZLPEV-UHFFFAOYSA-N 352.315 4.470 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3ccccc3[nH]2)N1 587804502 REJUQTWBGDTUAL-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccn1 587546173 IVWLPMQEYMNBOL-VQIMIIECSA-N 353.761 4.144 0 1 FIAF Cc1nc2[nH]c(CCCCc3cccc(O)c3)nc2cc1Br 586896251 MSNVZYDKCDZFHG-UHFFFAOYSA-N 360.255 4.300 0 1 FIAF O=C1C[C@H](c2c[nH]nc2-c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 587524663 LJKIPSNGCISLFH-HXUWFJFHSA-N 360.413 4.368 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2n[nH]c3cccc1c23 587395985 HUCLCICEWDYJTD-HSZRJFAPSA-N 367.408 4.343 0 1 FIAF Nc1ccc(F)c(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587141107 LMNYZLWQHYRQQR-UHFFFAOYSA-N 359.710 4.427 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1cccc(N)c1)CC2=O 587473537 XEJDHUNMLJEROF-QHCPKHFHSA-N 374.440 4.231 0 1 FIAF COc1ccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc1OC 587876295 NLYNTWWGBCXAKO-UHFFFAOYSA-N 371.393 4.057 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccncc1 587864146 FUQDTPIHNYGHJG-UHFFFAOYSA-N 361.323 4.051 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)s1)([C@@H](C)O)CC2=O 587496666 ZPCUGYXNRLPYMV-MGNBDDOMSA-N 366.866 4.301 0 1 FIAF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587775393 ZUATYJXLQAPJEL-BMLIUANNSA-N 365.246 4.006 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 586918585 ZBLZZHCWGRGZMD-NSPYISDASA-N 360.335 4.197 0 1 FIAF COc1cccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587167626 PDBMBEMIXRIQRT-OAHLLOKOSA-N 354.385 4.080 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)n[nH]2)N1 587796609 QGUYOEIZNIWJMV-FVMDXXJSSA-N 366.278 4.232 0 1 FIAF CCOc1cc(/C=C/c2nc3ccc(CCO)cc3[nH]2)ccc1OC(F)F 587130683 NWNYYJWZHJFZIB-VMPITWQZSA-N 374.387 4.268 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1scnc1C1CC1 587617217 JHAVEQIBKMGMAU-KXBFYZLASA-N 365.410 4.429 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCc2cc(C)c(Cl)cc21 963606392 HNGBKSZQNKCPNG-ZSEKCTLFSA-N 357.881 4.390 0 1 FIAF O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2Cl)c1 146767540 QUEUBIKJDGXLFY-UHFFFAOYSA-N 369.808 4.075 0 1 FIAF CCOC(=O)C1=C(C)OC(C)=C(C(=O)OCC)C1c1ccc(Cl)cc1 13536928 URARDRMQTQRDOX-UHFFFAOYSA-N 364.825 4.128 0 1 FIAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3cccn3CC)cc2)C[C@@H]2CC[C@@H]1N2C 169373384 ZEBKVNWXQZNPAB-MXNKGDRCSA-N 366.505 4.304 0 1 FIAF CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(-c3nn[nH]n3)ccc12 205662127 RAYCKHBJHZXXQJ-UHFFFAOYSA-N 373.247 4.134 0 1 FIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(C)cc1)c1ccccc1 103214124 UGMZQASYSIPYCF-SFHVURJKSA-N 364.334 4.102 0 1 FIAF O=C1NC(=O)[C@@H](Cc2ccc(OCC3CCCCC3)c(Cl)c2)S1 115794244 AOBKJNWMHFFRIJ-OAHLLOKOSA-N 353.871 4.193 0 1 FIAF NC(=O)c1cccc2c(NCc3ccc(Oc4ccccc4)cc3)ncnc12 114347331 AQTMCKBSYVTCGB-UHFFFAOYSA-N 370.412 4.133 0 1 FIAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1Cc1nnc(COc2ccc(F)cc2)o1 2356315692 GIYHCHFROKVMFL-FRQCXROJSA-N 374.456 4.177 0 1 FIAF Cc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)nc1 117452004 SYSOKYYRVIKDBZ-UHFFFAOYSA-N 361.424 4.312 0 1 FIAF O[C@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61903795 CFIWYBJGMAYBIK-OAHLLOKOSA-N 354.278 4.455 0 3 FIAF O=C(c1ccc(F)cc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 21146767 IGNXNXOPDFAXJY-UHFFFAOYSA-N 372.443 4.354 0 1 FIAF CC[C@H]1C(=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@@]21C 121226983 YIGHZHOPCWHUCU-BPEWGCAGSA-N 359.554 4.055 0 1 FIAF Cc1ccc2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1 36241891 VDODPUVKPJPZMP-UHFFFAOYSA-N 357.218 4.244 0 1 FIAF CCSC(=S)SCC(=O)c1ccc(-c2ccc(N)cn2)s1 40935543 CZRWMSFEZKHZIS-UHFFFAOYSA-N 354.547 4.346 0 1 FIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CSc3ncccn3)C[C@@H]1O2 40420711 ZKVGVVHRNSKCLI-JDFRZJQESA-N 370.474 4.111 0 1 FIAF CC[C@@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 143407004 FABHFBAYMRVPMH-OAHLLOKOSA-N 359.514 4.143 0 1 FIAF Cc1cccc([C@H](c2cccnc2)c2cc3c4c(c2)CCN4C(=O)CC3)c1 95593221 SEIHBIOLOCLVGP-HSZRJFAPSA-N 354.453 4.406 0 1 FIAF Fc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 140129713 FHOJSCZBKAGUQX-UHFFFAOYSA-N 356.404 4.435 0 1 FIAF [C-]#[N+]c1cn(-c2ccc(C(=O)O)c(O)c2)c2sc(Br)cc12 473179534 OTBAVDAOBGPABY-UHFFFAOYSA-N 363.192 4.409 0 1 FIAF CC(C)c1ccc([C@@H](Nc2ccccc2)c2oc(CO)cc(=O)c2O)cc1 2382234536 NRXIMYYOHAAQDM-HXUWFJFHSA-N 365.429 4.163 0 1 FIAF Cc1[nH]c2cc(Cl)c(F)cc2c1CCN1C(=O)c2ccccc2C1=O 587632000 OUQBPKVSLJVRGB-UHFFFAOYSA-N 356.784 4.108 0 1 FIAF O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](C2CC2)C1)-c1ccccc1C4=O 586990674 NJWNKSVJYUVGKT-OAHLLOKOSA-N 355.393 4.161 0 1 FIAF CCOc1cc(/C=C\c2nc3ccc(OC)nc3[nH]2)ccc1OC(F)F 587130621 NGDCWWNIDZEHRA-YVMONPNESA-N 361.348 4.137 0 1 FIAF Cc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1Br 587136733 LBUOMWNXPICMIN-UHFFFAOYSA-N 356.145 4.300 0 1 FIAF CC(C)[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587817134 IWNRLNRMZFVOJS-BVRBVLIYSA-N 368.290 4.343 0 1 FIAF CC[C@]1(C2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834344 KZOVRNUZCXFMHK-PIGZYNQJSA-N 356.279 4.154 0 1 FIAF CC(C)c1nc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)co1 587771111 BKXBBMPFKXBJIG-QGHHPUGFSA-N 367.262 4.497 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccsc1N)O2 587409111 GQTWUGREPNGOJZ-FQEVSTJZSA-N 350.443 4.130 0 1 FIAF Cc1cc2ncc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)n2n1 587521170 AJLVAOZPLGEUSB-QFIPXVFZSA-N 361.445 4.106 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)c(F)c(O)c(F)c1F)CC2=O 587466363 NHLMUNBZNWKUJE-NSHDSACASA-N 370.298 4.313 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C(F)F)N1 587717497 LFXMQEHXIARDQP-XLKFXECMSA-N 359.189 4.408 0 1 FIAF Cc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1F 587029497 PTHWJZMPRSDDJK-UHFFFAOYSA-N 354.410 4.160 0 1 FIAF CCCCc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790215 IFGVFKPNGUBRIM-DYZYQPBXSA-N 366.278 4.278 0 1 FIAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 586881269 VGLHKWWGOZBLGE-VMPITWQZSA-N 361.170 4.229 0 1 FIAF CC[C@@H]1C[C@H]([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCO1 587835673 XLLRCNXQQZZGJE-BMGIQWSVSA-N 356.279 4.369 0 1 FIAF COc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(Cl)n1 587084060 UFXPICAUSAYEJF-UHFFFAOYSA-N 365.824 4.118 0 1 FIAF CC(C)n1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587762561 FWUNLIOLVYYPNW-PIGZYNQJSA-N 366.278 4.163 0 1 FIAF CCCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587519005 SSSFHRYUKPCRNM-QHCPKHFHSA-N 361.441 4.183 0 1 FIAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnncc3[nH]2)c(Cl)c1 587157547 AIKATCXRBBWXSO-KRWDZBQOSA-N 354.772 4.314 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cccnc1-c1ccsc1 963636646 RKSPPUWNCBFDQO-ZSEKCTLFSA-N 366.486 4.451 0 1 FIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CC=C(c3ccccc3)CC2)N1 963226706 PMPONXKRZIVZDK-LADGPHEKSA-N 370.452 4.297 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c(Cl)cccc1N(C)C 963612123 RYCHHCSSTIEEOQ-MPBGBICISA-N 360.885 4.047 0 1 FIAF O=C1Nc2c(CCc3ccccc3)ccnc2N(C2CC2)c2ncccc21 5934173 CRWMEMDNEYWVLR-UHFFFAOYSA-N 356.429 4.128 0 1 FIAF CCc1ccc(-n2cnc3c(sc4nccc(N(C)CC)c43)c2=O)cc1 13676169 IPMMMSQQYJZTAG-UHFFFAOYSA-N 364.474 4.014 0 1 FIAF CCCCCC(=O)N1C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O 13680113 NIQKHMCJNAGXQF-LJQANCHMSA-N 350.418 4.303 0 1 FIAF CC(=O)c1c(O)c(C(C)C)cc2c(c1=O)C[C@@]1(O)CCCC(C)(C)[C@@H]1CC2 205398119 CZCNOWAZNPUCJO-MBSDFSHPSA-N 372.505 4.125 0 1 FIAF CC(=O)O[C@H]1OC(=O)c2ccc(C[C@@H]3CCCC(C)(C)C3)c(C(C)=O)c21 5167517 RGZDSRRDRQIAFS-XOBRGWDASA-N 358.434 4.380 0 1 FIAF biogenic COC(=O)[C@]1(C)CCC[C@@]2(C(=O)O)[C@H]1CC[C@H]1[C@@H](C)c3ccoc3C[C@H]12 6482025 BUDZNKDGXHMPRO-VJYSTCJDSA-N 360.450 4.016 0 1 FIAF biogenic Cn1cc(Br)c2cc(Br)c(Br)cc21 14769626 SLHFBXVNOUNRQV-UHFFFAOYSA-N 367.866 4.466 0 1 FIAF biogenic CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2)C2=C(O)CCCC2=N1 19770209 AJEZSRMBOINRKV-OXQOHEQNSA-N 367.445 4.217 0 1 FIAF CCOC(=O)CSc1nc(Cl)cc(Nc2cccc3c2CCC3)n1 40861443 DXJHSTIMQDSGRK-UHFFFAOYSA-N 363.870 4.018 0 1 FIAF NC(=O)c1ccc(Oc2ccc(CN3CCC[C@@H]3c3ccccc3)cc2)nc1 73167483 WZVUQWRQADDXOE-OAQYLSRUSA-N 373.456 4.310 0 1 FIAF Cc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1 96168854 CGXKFWGZNUYPMF-UHFFFAOYSA-N 368.440 4.268 0 1 FIAF O=c1cc(Cc2ccccc2)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12 136518711 WNCFZQKISJWVME-UHFFFAOYSA-N 369.346 4.299 0 1 FIAF CCCC[C@@H](OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)O[N+](=O)[O-] 148045814 UGYONNQOZBVPDP-UGSOOPFHSA-N 361.394 4.220 0 1 FIAF O=S(=O)(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C1CCCC1 586924283 OJFYNWGPVLVNMQ-UHFFFAOYSA-N 364.414 4.032 0 1 FIAF Cc1cncc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586975086 ADWRWKBMHBBYNO-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](n1cnnc1)C4)-c1ccccc1C2=O 587096912 DHXFBASELJBIOV-CQSZACIVSA-N 366.424 4.076 0 1 FIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cncc(Br)c3[nH]2)c1F 587152445 NJLLUAMEIPLFJM-IUCAKERBSA-N 350.166 4.270 0 1 FIAF Cc1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 587172825 NOQGAQUCFXWKQO-UHFFFAOYSA-N 351.356 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@H](O)c1cccs1)O2 587411584 DPBQNXWYUWQWKV-MOPGFXCFSA-N 371.483 4.295 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3cn(C)nc13)CC2=O 587476322 OKBMLXJGTYOWIR-NRFANRHFSA-N 350.418 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(C(CC)(CC)C(=O)OCC)CC2=O 587479801 JGDUUWZUHMSMJI-FQEVSTJZSA-N 362.466 4.438 0 1 FIAF C/C(=C/[C@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587536668 YZBMOZNMSIVAPL-KXXOPMGUSA-N 368.502 4.348 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ncccc2o1 587589971 ZALIOAYAHYLPCH-WIYYLYMNSA-N 359.337 4.236 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCCCCC2)N1 587764685 GTUISCBUOFMPCP-FZKQIMNGSA-N 369.322 4.214 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ocnc3c2)N1 587777875 DOUAQNOFZJVDIS-XYZCENFISA-N 361.214 4.353 0 1 FIAF CC(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812267 PTJACNFVQOBYMV-QGHHPUGFSA-N 356.279 4.343 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1CCN1CCCCC1 587863957 USEGVTUJNWHBJE-UHFFFAOYSA-N 353.388 4.063 0 1 FIAF O=C(N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1)c1ccccc1 1857539321 VLIWRKCRUPBCQS-UILWBTOOSA-N 362.517 4.424 0 1 FIAF CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@](C)(CC1)CC[C@@]2(O)C(C)C 2356679731 DVPFKQLUSCPERE-YVNJGZBMSA-N 358.478 4.461 0 1 FIAF OC[C@@]1(Cc2ccccc2F)CCCN(Cc2ccc3ccccc3n2)C1 11661561 PITCZTJEGNGQAM-HSZRJFAPSA-N 364.464 4.191 0 1 FIAF CN1CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc21 13766742 APDLVICBNVGZDB-UHFFFAOYSA-N 366.480 4.272 0 1 FIAF COC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl 27407768 NEVXJJLRKGHZRG-UHFFFAOYSA-N 363.204 4.485 0 1 FIAF CN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21 27520041 IHPIDUYTHZDHCH-ZTNFWEORSA-N 352.478 4.004 0 1 FIAF O[C@H]1Cc2ccccc2C[C@@H]1NCCC(c1ccccc1)c1ccccc1 27726595 DTPJSBNVZVXLPQ-DQEYMECFSA-N 357.497 4.327 0 1 FIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C[C@@H]2CC[C@H]1N2C 36271604 OXDFFEQFKNRNGA-UWHLTILDSA-N 371.427 4.371 0 1 FIAF OC(O)(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1 39001797 PUCSKUWLMPSADN-UHFFFAOYSA-N 352.434 4.067 0 1 FIAF in-vitro COC(=O)c1ccc2c(c1)nc(CCc1ccccn1)n2Cc1ccccc1 53242672 HYEXKTMQQWLHNC-UHFFFAOYSA-N 371.440 4.051 0 1 FIAF COc1cc(CC(=O)NCc2ccc(C(C)(C)C)cc2)cc(Cl)c1O 64453507 WALVRCBHGXEOLQ-UHFFFAOYSA-N 361.869 4.211 0 1 FIAF Cc1nn(C)c(C)c1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 64539922 IMJXOERPCNYXHG-UHFFFAOYSA-N 363.343 4.136 0 1 FIAF COCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 82166292 CHQABVHHILEHEQ-UHFFFAOYSA-N 352.419 4.072 0 1 FIAF NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(F)c2)c1 95576582 SAULHIDXVGCWSE-UHFFFAOYSA-N 350.393 4.290 0 1 FIAF CCOC(=O)[C@H](Cc1ccccc1)c1ccnc2c(-c3ccccc3)cnn12 115648800 HSLNUZQMGVVRRE-LJQANCHMSA-N 371.440 4.286 0 1 FIAF COc1cccc(OCCCOc2c3ccoc3cc3oc(=O)ccc23)c1 138518899 UHZFHLLOYSYAHT-UHFFFAOYSA-N 366.369 4.396 0 1 FIAF O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 169304845 XFLZELRWIBAHQY-PWRODBHTSA-N 363.457 4.052 0 1 FIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1C[C@H](c2ccccc2)[C@@H]2[C@H]1C2(F)F 169704913 ZICZWKKYCQOTAD-BTPDRXCOSA-N 368.387 4.122 0 1 FIAF CC[C@@H]1CC[C@@H]2c3c(O)nc(-c4ccc5c(c4)OCCO5)nc3S[C@H]2C1 253638100 GFCJYZOTVBIKKT-FFSVYQOJSA-N 370.474 4.388 0 1 FIAF COC(=O)[C@H](C)[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 299820288 JABZAHXSNKLWRQ-CAHYKURXSA-N 373.537 4.051 0 1 FIAF Brc1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587042985 WXBBOCAOZBQCFD-CABCVRRESA-N 374.307 4.272 0 1 FIAF Oc1c(F)cc(F)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587134981 YYTQPMYEFBGHHX-UHFFFAOYSA-N 360.545 4.025 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2c1 587140328 ZGRGRIBNQUKRCK-UHFFFAOYSA-N 368.742 4.205 0 1 FIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccnc(Br)c2[nH]1 587149419 GFZBRXAYCUEUJL-ZETCQYMHSA-N 354.154 4.139 0 1 FIAF COc1cc(C(F)(F)F)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587381474 JNXGTMXNQOYGAG-INIZCTEOSA-N 351.324 4.311 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(Cc3ccccc3)c1C)O2 587391086 PGRJHKJZVQMTLO-FQEVSTJZSA-N 361.445 4.145 0 1 FIAF CCOc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587397450 VRVVOVVQJNSLQX-LJQANCHMSA-N 363.417 4.073 0 1 FIAF CCOc1cccc(OCC)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401832 YZQYYIIXVMXYSN-NRFANRHFSA-N 355.434 4.255 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)COC(C)(C)O3)O2 587411466 JKZJPURIQNLPBD-NRFANRHFSA-N 353.418 4.103 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccccc1C1CCOCC1)[C@@H](C2)C3=O 587451428 HNNHKHUNCRJCGR-PGRDOPGGSA-N 350.414 4.078 0 1 FIAF Cc1cc(Cl)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587502101 SZVMOKIEBDFCFX-OAQYLSRUSA-N 367.832 4.340 0 1 FIAF C[C@H](O)[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503653 WFMITRWCZSQSFG-ZSEKCTLFSA-N 356.849 4.460 0 1 FIAF CC(C)N1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518489 JJVDIXAXUZDMGR-QHCPKHFHSA-N 361.441 4.181 0 1 FIAF COc1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568113 CWOAGVODYZJZBC-GHTZIAJQSA-N 366.344 4.243 0 1 FIAF C[C@@H]1Cc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1 587616677 LVXHMMSNVYEBDO-GQIHDASDSA-N 374.392 4.419 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(F)cc1 587655699 OLVQUTWBOWGJLK-UHFFFAOYSA-N 352.315 4.470 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccccn23)N1 587775521 RKNRCDIKIOAJJT-ADLMAVQZSA-N 374.257 4.034 0 1 FIAF CC(=O)c1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587816216 VKRDXEXTIPKALQ-MLCYQJTMSA-N 362.242 4.414 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(C)(C)C(=O)O)N1 587826834 JLOXAGUZDATVAJ-QGHHPUGFSA-N 372.278 4.229 0 1 FIAF CC(=O)SCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587846717 QZRIKDRNQPSILA-TVQRCGJNSA-N 360.292 4.223 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(F)cc1 587870541 LVPGLJRWVLQDBY-ZDUSSCGKSA-N 372.371 4.335 0 1 FIAF CC(=O)[C@@H]1CCC(C)=C[C@@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962703230 HZZZAMDZJVTYNK-MDKPJZGXSA-N 359.510 4.330 0 1 FIAF Oc1ccc(-c2ccc3c(-c4ccc(CN5CCCC5)o4)[nH]nc3n2)cc1 1857576153 GQOBRAOMHJWICL-UHFFFAOYSA-N 360.417 4.186 0 1 FIAF c1ccc2[nH]c(-c3nc4ccccc4c(=NCCCN4CCCC4)[nH]3)cc2c1 1857746450 JCESAHPGWVXXDC-UHFFFAOYSA-N 371.488 4.098 0 1 FIAF O=C(Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1)c1ccccc1 1911571885 CQNLPUVCGWLDNH-UHFFFAOYSA-N 352.340 4.469 0 1 FIAF O=C(CCc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1Cc1ccccc1 1911573170 DXWLLGYYTZNHJT-IBGZPJMESA-N 355.865 4.075 0 1 FIAF CC[P@@](=O)(OC)c1ccc2nc(-c3ccnc(OC(F)F)c3)oc2c1 2382239674 VPTBLQYXMUAFAT-RUZDIDTESA-N 368.276 4.061 0 1 FIAF C[C@@H](c1ccncn1)N(C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1 12751043 MBRYCPCETAGMKI-HNNXBMFYSA-N 372.428 4.042 0 3 FIAF COc1ccc(-c2csc([C@](O)(c3ccccc3)C(F)(F)F)n2)cn1 61930691 GIUBCEQZAYTNGF-MRXNPFEDSA-N 366.364 4.012 0 3 FIAF CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)NC(=O)c2ccccc2Cl)C1 100563127 IDBVHKHAPKHXJD-KPZWWZAWSA-N 350.915 4.255 0 3 FIAF COc1ccc2c3c([nH]c2c1)CCN(CCCC(=O)c1ccc(F)cc1)C3 1640520 GZRNLIQYLURBGZ-UHFFFAOYSA-N 366.436 4.337 0 1 FIAF CC[C@H](Cc1ccc(O)c(OC)c1)[C@@H](CC)[C@H](O)c1ccc(O)c(OC)c1 2356304701 BBZFADZHJBEXSO-ZDPZECHZSA-N 374.477 4.444 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)C[C@@H]2CC[C@H]1N2C 28567890 VMRNKEYMTOGQHV-BQJUDKOJSA-N 353.437 4.232 0 1 FIAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2cocn2)c1 113764704 UTRJDXNYWUIAMT-HNNXBMFYSA-N 350.418 4.082 0 1 FIAF CCCc1c(F)c(=O)oc2c3c(c4c(c12)OCC(C)=C4)O[C@H](C)CC3=O 29133018 LVTXSMSYOLRVID-SNVBAGLBSA-N 358.365 4.034 0 1 FIAF Oc1cccc(C[C@H](c2ccccc2)N2CCN(c3ccccc3O)CC2)c1 29469695 ZRHXNOFZTISVFR-HSZRJFAPSA-N 374.484 4.204 0 1 FIAF COc1cc(C(=O)c2cc(-c3ccccc3)sc2N)cc(OC)c1OC 36107907 VLEAPSVRKUDCRE-UHFFFAOYSA-N 369.442 4.254 0 1 FIAF O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1Cl 49036734 KSSMMJFYNXZNDL-UHFFFAOYSA-N 363.288 4.390 0 1 FIAF O=C1Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc2S1 96169249 XJQJVPUWKQIIRL-OALUTQOASA-N 363.482 4.196 0 1 FIAF C[C@@H](SC1=NS(=O)(=O)c2ccc(Cl)cc2N1)c1ccccc1 95584954 USLRWOXTLJXISN-SNVBAGLBSA-N 352.868 4.305 0 1 FIAF C[C@]1(Cc2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339967 RLBCCZFPYYRXTA-RBBKRZOGSA-N 363.388 4.287 0 1 FIAF CC[C@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608828 MJTAXQODDNCJPW-SIKLNZKXSA-N 362.381 4.365 0 1 FIAF Nc1cccc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574643 GDEUOOOGKICAQY-OFNKIYASSA-N 373.408 4.168 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc3c(c2[nH]1)CCCC3 586962093 BIIVYQFPDMJZJK-OAHLLOKOSA-N 354.479 4.489 0 1 FIAF Cc1cccc(-n2nc(C)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 587389919 KUYSQWQNIKKQEX-HXUWFJFHSA-N 361.445 4.395 0 1 FIAF COC(=O)c1c(C)[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587521939 CKPLGESEVXCNLV-KRWDZBQOSA-N 353.418 4.003 0 1 FIAF CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595649 LMXUIAAQBRONOO-SIKLNZKXSA-N 362.381 4.494 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CNC(C)C)(c1ccccc1)CC2=O 587470075 LYAVUBZUFXDHQD-QFIPXVFZSA-N 353.462 4.203 0 1 FIAF Cc1cc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c(C)n1 587167011 DRHWDEVTEPSUPG-MRXNPFEDSA-N 353.401 4.083 0 1 FIAF Clc1ccc(-n2cc(-c3nc4cccc(Br)c4[nH]3)nn2)cc1 587075825 KXHRXYLMFXWWMU-UHFFFAOYSA-N 374.629 4.227 0 1 FIAF COc1ccc2nc(Cl)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c1 587379615 JQBFUSNYCQAQSW-SFHVURJKSA-N 368.820 4.494 0 1 FIAF C[C@]1(c2ccc(F)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339687 SKBRXIKABJVHBB-PZJWPPBQSA-N 367.351 4.340 0 1 FIAF Cc1c(F)ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587002700 MPNLLPHLHJUGGE-UHFFFAOYSA-N 373.229 4.365 0 1 FIAF CCN(CC)CCOc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587386837 LQVDLJXJFCLMMU-OAQYLSRUSA-N 368.477 4.004 0 1 FIAF Clc1cnn(COc2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)c1 587081886 HXDZCPSUGVTMSC-UHFFFAOYSA-N 360.204 4.165 0 1 FIAF CCCC[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349595 QBWZVWBDIWJQEV-TZIWHRDSSA-N 358.409 4.466 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cc(C)ccc1C)[C@@H](C2)C3=O 587439160 KCZNOANSCYTHJE-KSFYIVLOSA-N 360.413 4.191 0 1 FIAF CCC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585567 DPBAIPPBTXLJGO-SIKLNZKXSA-N 361.397 4.444 0 1 FIAF COc1cc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2cc1C 587108977 KFJPUXSTVLXMGI-UHFFFAOYSA-N 350.296 4.264 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(C2CC2)N1 587769527 GOIWDCVBNUDNOR-ZMZPIMSZSA-N 361.258 4.171 0 1 FIAF COCc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587802459 SFIHCTVAYYYJNP-ADLMAVQZSA-N 364.258 4.358 0 1 FIAF CC(C)[C@@H]1C[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCO1 587614075 BKMFKWMPSQTHOJ-LJRRSDMTSA-N 368.429 4.174 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1nn(CC)c3ccccc13)CC2=O 587474149 BZMCWKREHVENFN-IBGZPJMESA-N 350.418 4.421 0 1 FIAF COc1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(Cl)n1 587083759 KBDQXBSMFQXKGF-UHFFFAOYSA-N 374.025 4.098 0 1 FIAF Oc1nc(S)nc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 587949214 BTULJHBXGVMCBD-ZHACJKMWSA-N 362.414 4.310 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3cccnc3)c1)O2 587395612 SKSAFCOVKZXVBR-OAQYLSRUSA-N 360.413 4.258 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(C=O)sc4s1)[C@@H](C2)C3=O 587451923 LPRFCHOHOHDGHX-YVEFUNNKSA-N 356.424 4.273 0 1 FIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccsc2)N1 963201943 UOOLBVSBZRFSKT-STQMWFEESA-N 361.772 4.109 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@]3(C)[C@@H](C)Oc1cccc(F)c1 963057011 OFHTXKXLILMKLG-JLCFBVMHSA-N 366.436 4.211 0 1 FIAF CO[C@H]1CC[C@H](C(=O)N2CC[C@@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 1772641713 MQTTVQMAXLFPBX-WVVHNUNQSA-N 355.522 4.333 0 1 FIAF Nc1ncccc1-c1cc(Cc2ccc(Oc3cccc(F)n3)cc2)no1 1857573439 HSPXTNVHQPVEGF-UHFFFAOYSA-N 362.364 4.236 0 1 FIAF Cc1ccccc1NC(=O)[C@H](NCCc1ccc(O)cc1)c1ccccc1 1857639860 MVSBOHNGQAALKF-JOCHJYFZSA-N 360.457 4.213 0 1 FIAF COc1ccc(-c2ccc3c(c2)CCNCC3)c(OCc2cc(C)ccn2)c1 205444412 ZPAATAQFVHQMCB-UHFFFAOYSA-N 374.484 4.333 0 1 FIAF Cc1cc(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)cc(C)n1 3778467 QCQPKZDFYCKSSB-UHFFFAOYSA-N 357.417 4.125 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295707 NGRJGAMRAFGTDG-HKUYNNGSSA-N 374.843 4.487 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C(=O)c5oncc5C[C@]4(C)[C@H]3CC[C@]12C 5711880 SKAUQTZOMFSDQC-QMPKQDNESA-N 371.477 4.204 0 1 FIAF CC[C@H](Nc1nncc(-c2c(OC)cccc2OC)n1)c1ccc(F)cc1 12197139 AUERJKPMSFRAOG-HNNXBMFYSA-N 368.412 4.258 0 1 FIAF CCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCCc1ccccc1-2 13494181 DZFOJFGHLBCJNN-UHFFFAOYSA-N 362.473 4.332 0 1 FIAF CCCCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O 13641949 OFLKNAJUDYNDPK-MRXNPFEDSA-N 352.843 4.073 0 1 FIAF COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@H](C)[C@H](C)C2 14641051 QHLOLFAIJRCECK-HTGLOVNISA-N 358.434 4.084 0 1 FIAF biogenic C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 16917817 JMZAXRXHLIIAGA-NWDASVTGSA-N 358.522 4.137 0 1 FIAF biogenic Fc1ccc(CNc2ncnc3onc(-c4cc(F)cc(F)c4)c23)cc1 21714776 DAAICSTWJQJXSE-UHFFFAOYSA-N 356.307 4.314 0 1 FIAF c1ccc2c(c1)[C@@H]1CC(c3nccs3)(c3nccs3)[C@H]2c2cccc[n+]21 26646547 UZNZNYQYGSURPX-ZWKOTPCHSA-N 374.514 4.312 0 1 FIAF CN(C)C[C@@H](c1ccc(OC(=O)c2ccccc2)cc1)C1(O)CCCCC1 34845619 LJFGPSMWRMHOSM-NRFANRHFSA-N 367.489 4.246 0 1 FIAF O=C1NC[C@@H](c2ccccc2)C12CCN(C1(C3CC3)CCCCC1)CC2 38357691 DJMKLJQFMUSLBV-FQEVSTJZSA-N 352.522 4.095 0 1 FIAF NC(=S)Nc1cccc(OCCCCCOc2cccc3[nH]ccc23)c1 40430819 GHFGCQFUKKKBAC-UHFFFAOYSA-N 369.490 4.452 0 1 FIAF Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1ccc2ncn(C)c2c1 40917768 XLVQYTBEAVYLKH-UHFFFAOYSA-N 360.392 4.335 0 1 FIAF COc1cc(C)ccc1C(=O)Nc1ccc(-c2nc3ncccc3[nH]2)cc1 40943543 XZILYLNIOSHHAC-UHFFFAOYSA-N 358.401 4.194 0 1 FIAF CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)Cc1c[nH]nc1-2 66075023 HGGAFUWUTJOQPZ-UHFFFAOYSA-N 373.416 4.004 0 1 FIAF C=CC1=C(C(=O)Nc2ccc(OCC)cc2)[C@H](c2ccc(F)cc2)OC1 73223801 AOQBCUDOTMVZMJ-FQEVSTJZSA-N 353.393 4.417 0 1 FIAF COC(=O)/C1=C\C=C\C[C@@]2(C)C[C@@H](c3ccoc3)OC(=O)[C@@H]2CC[C@H]1C 138937343 LDIUDVOTXDYTPG-SLGIETQDSA-N 358.434 4.366 0 1 FIAF CCCC(=O)NCCN[C@@H](CC(C)C)C1(c2ccc(OCC)cc2)CCC1 166060404 KESMMXPCOOCEDA-NRFANRHFSA-N 374.569 4.428 0 1 FIAF CCOc1cc2c(cc1O)C[C@@H](N=O)C[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 169716434 TWEVBMCEBNPRTH-SJOXNDSOSA-N 359.466 4.143 0 1 FIAF Cc1noc(CSC[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)n1 261191042 ZDFZEYIOEFWTFE-HOCLYGCPSA-N 351.903 4.000 0 1 FIAF Brc1ccc2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)cn2c1 587006719 QXGBUMPRNJTPLR-UHFFFAOYSA-N 370.206 4.016 0 1 FIAF Oc1cccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587016647 DVGPIBORUPFYSB-UHFFFAOYSA-N 359.414 4.106 0 1 FIAF O=C1COc2cc3[nH]c([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)nc3cc2N1 587052152 WZRXSPXKTGHKJO-IUCAKERBSA-N 374.227 4.472 0 1 FIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587069396 JPJWWQBTGDRDPH-QMMMGPOBSA-N 368.746 4.353 0 1 FIAF COc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1OC 587136645 UIJZTTWSIIVHGM-UHFFFAOYSA-N 369.165 4.288 0 1 FIAF Cc1cncc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c12 587198498 HDXNXLVFXXATEF-SFHVURJKSA-N 352.438 4.232 0 1 FIAF C=CC(=O)Nc1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 587245017 VGQFXFSZDPLXOA-UHFFFAOYSA-N 360.186 4.256 0 1 FIAF C[C@@]1(c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335744 MEILVTLSHPWUNA-UNMCSNQZSA-N 363.388 4.388 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(c3ccccc3Cl)CCOCC1)O2 587376414 CFIZFKAUPWIXPM-LJQANCHMSA-N 371.864 4.313 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cccc(Cl)c1)O2 587377488 IWGZYWOYSLKNKR-DUIUGDAFSA-N 356.853 4.167 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)OCC)cc1)CC2=O 587479453 IJYWSMJXRBZHBK-QFIPXVFZSA-N 368.429 4.402 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCN(Cc3ccccc3)C1)CC2=O 587481877 YAKLMDSMBYDNSD-VGSWGCGISA-N 365.473 4.201 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc3c(c1)OCO3)CC2=O 587486418 KZGVALJMCMJVFI-NRFANRHFSA-N 354.402 4.344 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3ccc(OC)cc31)CC2=O 587491153 NICFQGPHLFKMHE-QFIPXVFZSA-N 368.429 4.387 0 1 FIAF O=C1C[C@@H](c2ccc(Br)nc2)Oc2c1ccc1c2CCCC1 587499754 VBANDLCQUPXMQI-INIZCTEOSA-N 358.235 4.429 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(N)c2)N1 587718828 OLGNMDLLPNLKMY-XYZCENFISA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(N)cccc2F)N1 587722927 UMWZULDGMDXCEI-XYZCENFISA-N 367.237 4.107 0 1 FIAF CC(C)[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774011 KXZXXQJMYHORMN-KPZWWZAWSA-N 363.274 4.417 0 1 FIAF Cc1nc2[nH]c(COC/C=C/c3ccccc3)nc2cc1Br 587781297 SPLYVKRMIZHUDQ-VMPITWQZSA-N 358.239 4.259 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncccc3[nH]2)N1 587801739 HXOBAHGMSGSOFX-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccnc3[nH]2)N1 587805376 UDLCMGMKYRFRNR-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF COc1cc(C)ccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587926298 WHOUETBUSQUKNL-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF O=C1[C@@H](Oc2ccccc2)[C@H](c2ccco2)N1c1nc2ccccc2s1 1772630480 WZWAJRXWMJMHGZ-ROUUACIJSA-N 362.410 4.425 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(C)=O 1857536558 DJJZPTWGFYVUFB-KIYFCUGLSA-N 374.521 4.059 0 1 FIAF COc1cc(-c2n[nH]cc2-c2cc(C)c(OC)c(C)c2)cc(OC)c1OC 1857553104 YLBJKPUHAXCLHT-UHFFFAOYSA-N 368.433 4.395 0 1 FIAF CCc1ccc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)cc1 1857570145 IOEHXLGDDADUGK-XMMPIXPASA-N 369.468 4.156 0 1 FIAF Nc1cc(F)c(-c2ccc3c4ocnc4c(=O)n(C4CC4)c3c2)cc1F 2382226864 AKNFLTWPBAEKCP-UHFFFAOYSA-N 353.328 4.005 0 1 FIAF COc1cccc(Cn2c(=O)cc(C)c3c(C)nn(-c4ccc(C)cc4)c32)c1 8605815 KFUFSVJUSIDBFD-UHFFFAOYSA-N 373.456 4.169 0 1 FIAF CCCCc1nc2[nH]ncc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12 27215905 IOGBBWGNBNVHQJ-UHFFFAOYSA-N 360.343 4.029 0 1 FIAF O=C(O)CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 29553631 NGPUNXMZLNUELL-AZUAARDMSA-N 372.415 4.139 0 1 FIAF Cc1noc(C(C)C)c1C(=O)N[C@@H]1C(=O)c2ccc(Cl)cc2CC1(C)C 84714844 QAGLMNNHYVQSEK-GOSISDBHSA-N 374.868 4.323 0 1 FIAF COc1cc2c(cc1O)[C@@H](c1ccc(OC)c(OC)c1)[C@@H](C)[C@H](C)C2=O 145408425 ZXAFNDDXODHVOJ-JOOBJXAISA-N 356.418 4.018 0 1 FIAF COC(=O)c1coc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586992811 XXFLTULJRZBHHN-UHFFFAOYSA-N 371.348 4.198 0 1 FIAF Cc1csc(SCc2ccc(-c3nc4cc(N)c(N)cc4[nH]3)cc2)n1 587021029 GTCFPNPFRFHAGW-UHFFFAOYSA-N 367.503 4.452 0 1 FIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cnccc3[nH]1)N2 587031862 QAMAAUYLETUZQB-SRMXYGTFSA-N 371.491 4.085 0 1 FIAF O=C(CCCc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(Cl)cn1 587082283 MZNLXJAMOOHQDM-UHFFFAOYSA-N 368.746 4.231 0 1 FIAF C[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](n2cncn2)C1 587104810 JSJJECRTOWCHMU-YJYMSZOUSA-N 366.424 4.209 0 1 FIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(C)nc(C)cc4[nH]3)c2)c1 587234329 FFRHYYKJPPOVLG-UHFFFAOYSA-N 370.456 4.192 0 1 FIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(F)cc2[nH]1 587259250 ZOCGUORVFQTIHN-KRWDZBQOSA-N 362.408 4.274 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cnccc32)[C@@H]1c1ccc(F)cc1 587344863 HNGWKVAQSOUWCM-IFMALSPDSA-N 361.372 4.127 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)c(N)c(Cl)c1)O2 587373439 DGKVURLXUIBVRJ-KRWDZBQOSA-N 351.233 4.347 0 1 FIAF CC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587382600 QMSGKWGJLMUWHK-GOSISDBHSA-N 363.335 4.046 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ccnc(C(F)(F)F)c13)O2 587383890 WYSVCOZSWMEGFM-AWEZNQCLSA-N 361.323 4.179 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3ccnc3)cc1)CC2=O 587471204 OVSKVXLINIPPLD-QFIPXVFZSA-N 362.429 4.411 0 1 FIAF Cc1cc(O)cc(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611256 RTRLDISCARNZGD-DENIHFKCSA-N 362.381 4.418 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Cl)N1 587708696 ZEKQTHGZVXHXDW-RTHLEPHNSA-N 355.638 4.260 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(F)cc2F)N1 587725554 DVUFTXWZKKFIAL-BCTVWOGZSA-N 371.200 4.059 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2N)N1 587729519 VRWWEZFMIIQUPH-XLFHBGCDSA-N 367.237 4.107 0 1 FIAF Cc1cc(N)cc(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587748242 VWTBMYQEJVSNQB-VOJFVSQTSA-N 363.274 4.411 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(C)(C)C)CC2)N1 587769798 QLBULTQWFDVYBP-LBPRGKRZSA-N 369.322 4.212 0 1 FIAF COC(=O)CCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587805590 HWXKGZRZHHUJHQ-ZBEGNZNMSA-N 372.278 4.287 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCCOC1 587865945 QDBKWJXRKWWWDX-ZDUSSCGKSA-N 368.355 4.034 0 1 FIAF COc1cc(O)cc(-c2cccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2)c1 587930529 CYPIKACMUNMJFF-FQEVSTJZSA-N 374.400 4.335 0 1 FIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587935849 JOJWSQXCOOTFFV-AMIZOPFISA-N 352.221 4.110 0 1 FIAF Cc1cc2c(cc1F)[C@](c1ccccc1)(c1ccc(C(=O)O)cc1)NCC2 962303866 XOTFGCPMLSBWLK-QHCPKHFHSA-N 361.416 4.270 0 1 FIAF COc1cc2c(cc1OC)[C@](C)(CC(=O)c1ccccc1F)N(C)[C@@H](C)C2 962623613 KOOBCCNXQRZVEH-FPTDNZKUSA-N 371.452 4.208 0 1 FIAF Fc1nccc(Cl)c1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962998704 POQTVSSIAQIMKI-KRWDZBQOSA-N 359.857 4.478 0 1 FIAF O=C(O)c1cccc2c1CCN[C@H]2c1cc(C(F)(F)F)cc(Cl)c1F 963129467 FFWNRWJSHXVSQZ-OAHLLOKOSA-N 373.733 4.431 0 1 FIAF Clc1c(OCc2cccc3ccncc23)ccn2c(CC3CC3)nnc12 1772652915 FOLMXBPXGPARDX-UHFFFAOYSA-N 364.836 4.462 0 1 FIAF O=C(Cn1ccc2ncc(-c3ccc(F)c(C(F)F)c3)cc21)N1CCC1 1857566783 PHEQYRFWXXPUFW-UHFFFAOYSA-N 359.351 4.012 0 1 FIAF Cc1nc2cccc(-c3cc4c(s3)CNC4=O)c2nc1NC(C)(C)C 1857576361 CPZFYPWVXHFNAZ-UHFFFAOYSA-N 352.463 4.121 0 1 FIAF COc1cc(-c2ccnc3[nH]nc(-c4ccccc4)c23)cc(OC)c1OC 1857584849 JOXQJQOMJZZUHK-UHFFFAOYSA-N 361.401 4.318 0 1 FIAF CCCN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1 1857614111 QJMFRYJQORRYQW-UHFFFAOYSA-N 358.433 4.082 0 1 FIAF COc1cc([C@@H]2c3cc4c(cc3C[C@@H](C)[C@H]2C)OCO4)ccc1OC(C)=O 2356425596 OZGAPJXJJASVMN-GIYNXVAASA-N 368.429 4.309 0 1 FIAF CC(=O)O[C@@H]1CC(C)=CCC=C(C)CC(=O)CC2=C[C@@H](OC2=O)[C@H]1C(C)C 2356587780 WYZRLZZDCWHGLN-NJYVYQBISA-N 374.477 4.078 0 1 FIAF O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1Cc2c(-c3ccco3)ccnc2O1 61897062 PXWBFTNMFNUBKJ-INIZCTEOSA-N 358.756 4.076 0 3 FIAF COc1ccc(C[C@@H](O)c2n[nH]/c(=N/c3cccc(C(C)C)c3)s2)cc1 103780450 CFEPVWXFYFTSTN-GOSISDBHSA-N 369.490 4.112 0 1 FIAF O=C(O)c1c(NCc2ccccc2)ncnc1SCc1ccccc1 53276412 UOQZGCFZUHJMFP-UHFFFAOYSA-N 351.431 4.079 0 1 FIAF CC[C@H]1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 26392037 JISYSMSPJFEHHM-CQSZACIVSA-N 362.223 4.461 0 1 FIAF CCCN[C@@H](c1ccc(OC)cc1)[C@@H](NCCC)c1ccc(OC)cc1 27891407 VZMQBWSKOPJETE-VXKWHMMOSA-N 356.510 4.485 0 1 FIAF CCN(C(=O)c1ccc(C(=O)c2cnc3ccccn23)cc1)c1ccccc1 115950063 MOOIKZDVFDZDQX-UHFFFAOYSA-N 369.424 4.232 0 1 FIAF COC(=O)C=C[C@@H](C)[C@@H](C=CC1=CCC(c2csc(C(C)C)n2)=N1)OC 2356696574 GGTIUQUCNXPFEF-RDTXWAMCSA-N 374.506 4.280 0 1 FIAF COc1ccc([C@H]2CC(Nc3nc4ccccc4s3)=NN2C(C)=O)cc1 45255733 SUVUPVNAQSAKNX-MRXNPFEDSA-N 366.446 4.024 0 1 FIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc4ccccc4cc2O[C@@H]31 220401141 JRXWYOVMKYBWJX-QHCPKHFHSA-N 370.408 4.419 0 1 FIAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)C1 43204922 ZFXGNBOXQNGCFE-LAUBAEHRSA-N 370.541 4.204 0 1 FIAF CC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1C=CC=C2C(=O)O 85692951 BUIGVZOGLRDZCC-SPPOGVHBSA-N 372.461 4.395 0 1 FIAF c1cnc2nc(Oc3ccc4c(CN5CCOCC5)coc4c3)sc2c1 95597370 VYTSLRHFZVVVTL-UHFFFAOYSA-N 367.430 4.062 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O[C@H](CC(C)=O)[C@H]3C(C)(C)CCC[C@@]32C)O1 34203426 LBNHFUDEOMZNBR-ONKRVSLGSA-N 366.498 4.025 0 1 FIAF biogenic Cc1cc(-c2ccccc2)nc(SCCc2ccc(C(=O)O)cc2)n1 299825056 VVJNIVZIXOBOIQ-UHFFFAOYSA-N 350.443 4.485 0 1 FIAF CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587409888 XJNDILDGWBJTAX-NVAPDCRFSA-N 359.466 4.362 0 1 FIAF Fc1ccc(-c2cnn(Cc3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cc1 587165345 ROLRVMALSQIQCK-UHFFFAOYSA-N 362.195 4.316 0 1 FIAF COC1(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCC1 587598471 BAZOYFVVUAIPPU-YLJYHZDGSA-N 354.402 4.072 0 1 FIAF CCOC(=O)Cc1ccc2[nH]c(-c3nn([C@H](C)CC)cc3Cl)nc2c1 587079525 IQJFKGWJQPCOSM-LLVKDONJSA-N 360.845 4.156 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc3ccccn13)CC2=O 587459681 FIWKCUFAJAQJHA-HNNXBMFYSA-N 356.809 4.352 0 1 FIAF CSC[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587703106 FRYVBXCFXQCNMD-KRTXAFLBSA-N 372.225 4.243 0 1 FIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587242318 SHXPMEKOIOGAOM-UHFFFAOYSA-N 369.377 4.011 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3nc(Cl)ccc31)O2 587378342 BJIBYYHUVRUGSK-HXUWFJFHSA-N 356.853 4.459 0 1 FIAF Cc1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nc1 586988147 MFACTDKNPCBAOS-UHFFFAOYSA-N 352.393 4.446 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3ccc(Br)cc31)O2 587371251 JSOCBZPCCYAHRV-GOSISDBHSA-N 372.218 4.107 0 1 FIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(F)c(F)cc3[nH]2)c[nH]1 587060340 BMERJFDHBRESQN-UHFFFAOYSA-N 357.751 4.031 0 1 FIAF CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516385 CKPKPJGFLDHVIG-SFHVURJKSA-N 368.433 4.252 0 1 FIAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(F)cc(Br)c2[nH]1 587058052 BZKJUMCJMPXKCG-LBPRGKRZSA-N 368.637 4.360 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccnc(Br)c1 587869229 DJJKHYIVIKKZQG-UHFFFAOYSA-N 362.202 4.235 0 1 FIAF COc1cccc(OC)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525499 PKUOLKNFSQRDQQ-JOCHJYFZSA-N 352.430 4.463 0 1 FIAF COc1ccc2nc(Cc3cccc(-c4ccc(F)cc4OC)c3)[nH]c2n1 587158812 JRGIJWGEEKRGDR-UHFFFAOYSA-N 363.392 4.372 0 1 FIAF Cc1ccc([C@]2(c3ccc(C)cc3C)NCCc3c2c(C(C)C)nn3C)nc1 962916174 IZGPKMPPFJANRY-DEOSSOPVSA-N 374.532 4.301 0 1 FIAF CCOc1ccc([C@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962634331 TZJVJVMWYNPOEQ-OYHNWAKOSA-N 355.478 4.242 0 1 FIAF CCCCOC1=C(C(=O)O)[C@@H](c2ccc3c(c2)OCO3)Oc2ccccc21 13473339 BTOPOJCWQODETP-LJQANCHMSA-N 368.385 4.161 0 1 FIAF Cc1cc(Nc2cc(C(C)C)[nH]n2)nc(NCc2cc(C(C)C)no2)n1 166675788 FDPXBGWCRAXUTA-UHFFFAOYSA-N 355.446 4.099 0 1 FIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)c5oncc5C[C@]4(C)[C@@H]3CC[C@]12C 5664776 SKAUQTZOMFSDQC-DAVFDINGSA-N 371.477 4.204 0 1 FIAF CC(C)[C@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 13446366 IQEQNVRDAVMDJB-KRWDZBQOSA-N 357.325 4.115 0 1 FIAF Cc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn12 13762486 JUSBDZIBILCYFG-UHFFFAOYSA-N 374.463 4.257 0 1 FIAF COc1cc(O)c2c(=O)c(CC=C(C)C)c(-c3ccc(O)cc3O)oc2c1 14762741 CTCHDPAJHVDPRN-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF endogenous,in-man CN1[C@@H]2C[C@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]1[C@@H](O)C2 28477027 IKLFPVAAXYPLEK-SYAJIYQZSA-N 357.881 4.042 0 1 FIAF CSc1nc(N2CCCCC2)c2cnn(/C=C\c3ccccc3)c2n1 28569664 YLGOYZGAXZNIEY-RAXLEYEMSA-N 351.479 4.166 0 1 FIAF Nc1ccccc1NC(=O)c1ccc(C[C@H]2Cc3ccccc3C2=O)cc1 28826556 YFWNJSPBMVKFTH-SFHVURJKSA-N 356.425 4.119 0 1 FIAF Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(C)c12 29128021 GWILOKBEJXJMHE-UHFFFAOYSA-N 364.493 4.121 0 1 FIAF CCCN(C(=O)n1oc(C)c(SCC)c1=O)c1ccc(Cl)cc1 39052829 SUFXBVILLSOLJZ-UHFFFAOYSA-N 354.859 4.400 0 1 FIAF C[S@@](=O)C[C@@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3 40567203 YTBQLBSVAHMJNU-OUKNUOATSA-N 366.567 4.479 0 1 FIAF CC(C)c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 72108180 FLDIYLMUCKYPTP-UHFFFAOYSA-N 353.372 4.328 0 1 FIAF FC(F)(F)Oc1cccc(-c2ccc3nnc(-c4ccncc4)n3c2)c1 74387383 GGZRGLPUUMZUOS-UHFFFAOYSA-N 356.307 4.357 0 1 FIAF COc1cc([C@@H]2OC[C@@H](CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)O2)ccc1O 100776483 ZOGKSXQLOOQXFG-MALKTNSBSA-N 364.482 4.292 0 1 FIAF endogenous,in-man CN1[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccccc1)c1ccccc1)C2 101152255 BCHOSNDXBYSKLO-WOJBJXKFSA-N 350.462 4.455 0 1 FIAF C[C@@H](C(=O)N[C@H]1COc2ncccc21)c1cccc(C(F)(F)F)c1Cl 146503455 CGZWZKJDTFHJQE-RNCFNFMXSA-N 370.758 4.107 0 1 FIAF COc1cc2ccccc2c(Cc2c(-c3ccc(C)cc3)[nH][nH]c2=O)c1O 169311773 KAEMGFMCDSXJIH-UHFFFAOYSA-N 360.413 4.137 0 1 FIAF C[C@H](O)/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O 169622222 FRJZMMUVPROLHN-XEGNPPHTSA-N 360.494 4.491 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4C=C(O)C=C[C@]4(C)[C@H]3CC[C@]12C 253632847 CXIZEAWVDWCMQV-KILSKQAJSA-N 370.537 4.432 0 1 FIAF COc1ccc(-c2cc(C(=O)O)nn2-c2cccc(Br)c2)cc1 299861966 MGPAHOWQIPZNFZ-UHFFFAOYSA-N 373.206 4.009 0 1 FIAF CCCCc1cc(=O)oc2cc(OCc3nc4cncc(C)c4[nH]3)ccc12 586918903 SKMJFQATAZFLQK-UHFFFAOYSA-N 363.417 4.294 0 1 FIAF Cc1cc(Br)cc2nc(CSc3nnc(S)s3)[nH]c12 587026208 VUMVBJBDEYOHJC-UHFFFAOYSA-N 373.326 4.066 0 1 FIAF Oc1c(Br)ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 587139038 CLAKYNZYFCVXEQ-UHFFFAOYSA-N 371.156 4.234 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cc(F)cc(Br)c3)nc2c1 587161011 JHMPKJWFVVDIKZ-UHFFFAOYSA-N 351.175 4.149 0 1 FIAF O=C(/C=C/c1nc2cccc(Br)c2[nH]1)Nc1ccc(F)cc1 587166214 AGWXDRKXICYIQH-CMDGGOBGSA-N 360.186 4.116 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(Cl)nc2[nH]1 587168494 YEUCAPCHNIXCLS-CYBMUJFWSA-N 359.792 4.119 0 1 FIAF Cc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1C 587234349 JXYNPXKRHJBJDS-UHFFFAOYSA-N 357.454 4.043 0 1 FIAF C[C@]1(C2(O)CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348862 DYLJSRFCHLEHBU-CTNGQTDRSA-N 370.420 4.344 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@H](C)CC(=O)O)O2 587377147 HDFYQJCXLIRNGY-ODXCJYRJSA-N 373.836 4.202 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccccn1)O2 587394006 PIFJTRMINKCINC-OAQYLSRUSA-N 360.413 4.258 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(O)c(OC)c1)CC2=O 587458399 AXXCZNIZLVJSIB-MRXNPFEDSA-N 362.809 4.419 0 1 FIAF C=C1NC(C)=Cn2nc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587528368 YGHMEJLAWUVIOY-QFIPXVFZSA-N 361.445 4.035 0 1 FIAF C[C@@]1(c2ncccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543971 CVTFUFUMADBVNH-OXQOHEQNSA-N 367.788 4.318 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)n1 587552421 RLBFGRSMMXEVMP-VQIMIIECSA-N 353.761 4.144 0 1 FIAF CN1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587596169 RECOMLJDCVWYDL-NZQKXSOJSA-N 373.408 4.087 0 1 FIAF C[C@@]1(C2CCSCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620381 YSANCZODZPJFMF-XLIONFOSSA-N 356.443 4.256 0 1 FIAF COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587730143 WVRZYWRQLXNDKG-HUTHGQBESA-N 368.221 4.360 0 1 FIAF CC(C)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 587793778 LDJNCFSZWDBMOC-ABKXIKBNSA-N 352.251 4.058 0 1 FIAF CC(C)COCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797602 WJKMJDZOFUYIHO-YVEFUNNKSA-N 358.295 4.400 0 1 FIAF CN1C(=O)C[C@@]2(NCCc3cccc(-c4ccccc4)c32)c2ccccc21 962657294 AMQOVFGDEPPYGX-XMMPIXPASA-N 354.453 4.109 0 1 FIAF Nc1cc(Cl)ccc1[C@]1(c2ccccc2)NCCc2ccc(O)cc21 963354948 ZIVYOPYFMOEVFO-NRFANRHFSA-N 350.849 4.065 0 1 FIAF Cn1c([C@@H]2NCCc3cc(Cl)ccc32)nc2cc(C(F)(F)F)ccc21 963391485 UTYWTAICRKCWKI-MRXNPFEDSA-N 365.786 4.481 0 1 FIAF O=c1n2c(c(O)n1C1CCCCC1)C(c1ccccc1)=Nc1ccccc1C2 1779851384 QQVBTIVZVIOPRV-UHFFFAOYSA-N 373.456 4.391 0 1 FIAF Cc1ccc2nc(C[C@@H]3CN(C4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356564458 PPLVNFSBVJZJIS-IAGOWNOFSA-N 369.509 4.159 0 1 FIAF Cc1ccc(N(C)C2CN(C(=O)Nc3ncc(Cl)s3)C2)cc1Cl 2382256717 FULVLSARISELNT-UHFFFAOYSA-N 371.293 4.111 0 1 FIAF Cc1c(C(=O)N2CCC(C)CC2)sc2ncnc(N3CCCC[C@@H]3C)c12 2924277 VWQLVSYZINLUOP-AWEZNQCLSA-N 372.538 4.251 0 1 FIAF NS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)CC3(CC3)C2)cc1 3814741 FYRCNOIXUSIORI-UHFFFAOYSA-N 361.413 4.097 0 1 FIAF CC(C)=CCN1CCN([C@@H](Cc2cccc(O)c2)c2ccccc2)CC1 22590756 WLHCNEPBQJOHKW-QHCPKHFHSA-N 350.506 4.260 0 1 FIAF CC(C)c1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1 29318770 UKXZLBDDBMTGRF-UHFFFAOYSA-N 366.458 4.299 0 1 FIAF O=c1c2cc(Cl)c(Cl)cc2sn1CCN1CC2CCC(CC2)C1 29400947 AIAOQGWZGPUKHI-UHFFFAOYSA-N 371.333 4.492 0 1 FIAF COC(=O)CCCc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 40917866 TWYIJMDXQNBICM-UHFFFAOYSA-N 370.493 4.273 0 1 FIAF COc1cccc([C@@H](O)C2CCN(CCc3ccc(C)cc3)CC2)c1OC 40949673 PTMIUFFWTDLVGW-QFIPXVFZSA-N 369.505 4.000 0 1 FIAF Cc1cc2ccc(CNCCc3ccccc3Br)cc2nc1N 45318318 NXPQONOEQSYKHL-UHFFFAOYSA-N 370.294 4.220 0 1 FIAF Cc1ccccc1-n1c(C)nc2cc(NC(=O)c3ccccc3)ccc2c1=O 73310803 ZKFGCXPWDDBJBL-UHFFFAOYSA-N 369.424 4.255 0 1 FIAF Cc1c(OC2CCN(C)CC2)ccc2cc(-c3ccc(F)cc3)c(=O)oc12 84730160 MGPZEJFXYSGVQB-UHFFFAOYSA-N 367.420 4.381 0 1 FIAF COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1Br 169342638 NTULOQTYBPKNLG-MRXNPFEDSA-N 364.264 4.236 0 1 FIAF CCc1ccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 586972000 CVLVVOFJMXYHRN-LJQANCHMSA-N 353.491 4.236 0 1 FIAF O=C(O)c1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1F 587029408 PESVCAGOTQIPSN-UHFFFAOYSA-N 369.377 4.103 0 1 FIAF COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1OC 587075121 BXVFEEFEERVOIW-UHFFFAOYSA-N 368.824 4.395 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc2c1 587075204 GRVKBWMGMIGLFR-UHFFFAOYSA-N 368.824 4.395 0 1 FIAF Nc1c(F)c(F)cc(-c2nc3cc(Br)cc(F)c3[nH]2)c1F 587137106 TXCFCBGFWLQSPQ-UHFFFAOYSA-N 360.108 4.131 0 1 FIAF Fc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)nc1Br 587155376 KQHUJHKEGUKDEL-UHFFFAOYSA-N 364.071 4.083 0 1 FIAF CCN1CC[C@]2(C[C@H]1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343003 IZQWTVOJCXJOLJ-JEWAVWJGSA-N 369.436 4.133 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)ccc1Br)[C@@H](C2)C3=O 587412582 IZCPCYRNPHNGBZ-UGSOOPFHSA-N 359.219 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)o1)CC2=O 587457726 BRPYHUGCVNVKJZ-CQSZACIVSA-N 351.196 4.407 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCC)c1)CC2=O 587481731 RWHKOEMDVKGTAZ-LJQANCHMSA-N 356.418 4.459 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccnc1OC(C)C)CC2=O 587487735 NOCWPMKKPUFXNA-OAQYLSRUSA-N 355.434 4.408 0 1 FIAF O=C1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2N1 587503352 DXXWWXWXJLAKSS-JOCHJYFZSA-N 365.404 4.298 0 1 FIAF C[C@@]1(c2cc(O)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555882 HNXRHJBAEPMOIW-RXVVDRJESA-N 366.344 4.114 0 1 FIAF Cc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587586640 JDJIYJVWFGKMIM-DENIHFKCSA-N 361.397 4.059 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Cl)c2F)N1 587727629 OPXZFEUHFWHAIT-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(F)cccc32)N1 587740520 XSGAJOROCLAMBX-YPMLDQLKSA-N 364.233 4.451 0 1 FIAF COc1ccc2c(c1OC)[C@H](c1cnc(C(C)(C)C)s1)N(C)[C@H](C)C2 962618772 DVDMGFNDSXJDCF-PXAZEXFGSA-N 360.523 4.424 0 1 FIAF COC(=O)c1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c(C)c1 963115280 ZYTCCUZEECRVBU-KRWDZBQOSA-N 350.245 4.324 0 1 FIAF C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12c1c(F)cccc1C[C@H]1CCCN12 963117318 YLRJCRSBCNRIJY-JLDZCNIISA-N 374.500 4.318 0 1 FIAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc(Cl)cc(Cl)c12 1772618867 HXXXNMSSRMRCIT-UHFFFAOYSA-N 353.249 4.117 0 1 FIAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@H]3F)[nH]c2c1 2356302577 ZGGJGUFZMZVRJW-VQIMIIECSA-N 373.859 4.264 0 1 FIAF CC[C@H]1[C@@H]2OC(=O)[C@H](C)[C@H]2[C@@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)[C@H]3CCCC[C@@H]1[C@H]32 2356346634 VLCNUQYQHZUOOD-YZRMILPDSA-N 374.521 4.214 0 1 FIAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2Cc3occc3[C@@H](C)[C@H]2[C@H]1O 2356472451 YFPBRZZBJVPWPJ-JSZPKSDSSA-N 360.494 4.310 0 1 FIAF CC=C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C[C@@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356693216 BZACCZGEYNSNNQ-RFWGJUKTSA-N 373.581 4.157 0 1 FIAF CC[P@](=O)(OC)c1ccc2nc(-c3cncc(C(F)F)c3)oc2c1 2382220352 NGADHVSEDGXSMG-DEOSSOPVSA-N 352.277 4.397 0 1 FIAF COc1cc(F)ccc1-c1csc([C@@](C)(NC(C)=O)c2ccccc2)n1 61906942 GMQMMDBJTADTRE-FQEVSTJZSA-N 370.449 4.357 0 3 FIAF O=C1CCCCC(=O)[C@H](OC(=O)c2ccccc2)C[C@H](c2ccccc2)O1 95570271 NWSWUOAGWRQSRK-WOJBJXKFSA-N 366.413 4.030 0 3 FIAF CCn1cc2c(n1)-c1c(oc(C(=O)Nc3ccc(Cl)cc3)c1C)CC2 6871786 ZJXKWATXDILAMJ-UHFFFAOYSA-N 355.825 4.476 0 1 FIAF O=C(c1cc2cc(O)ccc2[nH]1)c1cc2c(Br)cccc2[nH]1 13703769 XILSBXBKYARQLM-UHFFFAOYSA-N 355.191 4.348 0 1 FIAF C[C@@H](CCc1nnn[nH]1)Cc1ccc(OCc2ccc3ccccc3n2)cc1 13890234 POSUQRXFCPPYHP-INIZCTEOSA-N 373.460 4.138 0 1 FIAF COc1ccc2c(c1)O[C@H]1c3c(cc4c(c3OC)CCC(C)(C)O4)OC[C@@H]21 14613211 QWZQKTKRYJMEKY-YCRPNKLZSA-N 368.429 4.417 0 1 FIAF biogenic COC(=O)[C@H](C)[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 26391178 JABZAHXSNKLWRQ-IQPRIJBZSA-N 373.537 4.051 0 1 FIAF Cc1cc(Cl)c(CC[C@H]2C[C@@H](O)CC(=O)O2)c2cc(Cl)ccc12 27871041 SRYPHCHHXWZMKS-OLZOCXBDSA-N 353.245 4.454 0 1 FIAF O=C(O)CC[C@H]1C[C@H]1c1cccc(OCCc2ccc3c(n2)NCCC3)c1 28648234 ALPCCUVICZDBAU-PXNSSMCTSA-N 366.461 4.030 0 1 FIAF CCc1ccc(/C(=C\C[C@@H](N)C(=O)O)c2ccc(F)cc2F)cc1CC 28768833 WNTAPKFMXVBWHD-HIOHBZOZSA-N 359.416 4.323 0 1 FIAF N=C(Cc1ccc2ccccc2c1)N1CCC(O)(Cc2ccccc2)CC1 29467350 DCRDQOUYOCWRRG-UHFFFAOYSA-N 358.485 4.429 0 1 FIAF CCc1nnc(NC(=O)C2(C[C@@H](CCC(C)C)C(=O)O)CCCC2)s1 34803399 ZCIGPBBBUAXLTA-CYBMUJFWSA-N 367.515 4.127 0 1 FIAF CCCOCCCNC(=S)Nc1cc(OCC)c(Cl)cc1OCC 66080001 ZDHCDOVMXGWGCR-UHFFFAOYSA-N 374.934 4.241 0 1 FIAF CCS(=O)(=O)c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1 95593885 NAQYYPCMJQAEFU-UHFFFAOYSA-N 366.895 4.302 0 1 FIAF CN(c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1)C1CC1 116231843 FHNMMCLPYZSVDZ-UHFFFAOYSA-N 359.385 4.340 0 1 FIAF CC(C)Oc1cc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)ccc1C#N 117400295 QIAXGWDOCDEMJB-GOSISDBHSA-N 360.417 4.008 0 1 FIAF NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)c(Cl)c3)cc2)CO1 169701162 QOFATDGMAZXGME-AWEZNQCLSA-N 350.249 4.383 0 1 FIAF CC1=Nc2[nH]ncc2[C@H](c2ccco2)[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 169724275 VFYQKLRNEALTCH-JKSUJKDBSA-N 372.787 4.288 0 1 FIAF COc1ccc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)cc1 206191628 IXBCRHWFMHZFAA-UHFFFAOYSA-N 369.392 4.269 0 1 FIAF COc1cc(O)c(-c2coc3cc(O)ccc3c2=O)c(O)c1CC=C(C)C 238785216 VHXUGOWOCZPTRX-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF Cc1cncc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587116493 ZMAHJZOIDVAOEZ-UHFFFAOYSA-N 357.133 4.110 0 1 FIAF COc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601306 RXEYDLNZYRSMSM-REWPJTCUSA-N 374.392 4.204 0 1 FIAF CC(=O)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604797 YSHWXRHWXABIFT-DENIHFKCSA-N 360.365 4.298 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCCO2 587611470 ROIKYHIHGFZDRI-NFBKMPQASA-N 374.392 4.420 0 1 FIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnc1F 587739817 VWZSXDDWURBDRS-RFAUZJTJSA-N 353.210 4.054 0 1 FIAF CC(C)CN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587765476 CMKOGDPHMVECML-CYBMUJFWSA-N 369.322 4.070 0 1 FIAF CCCCn1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587766716 WOCIBZNDZCCGHZ-DIFFPNOSSA-N 366.278 4.208 0 1 FIAF COc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587812220 YNWVXFJRAYNKOT-ADLMAVQZSA-N 364.258 4.395 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCCC[C@H]2O)N1 587833462 NSYOGISRYVMKAO-ZLENFMNRSA-N 356.279 4.033 0 1 FIAF CC[C@@H]1C[C@H]([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCO1 587835674 XLLRCNXQQZZGJE-CNEMSGBDSA-N 356.279 4.369 0 1 FIAF COc1cccc(C2(c3nc4ccc([C@H](N)N=O)cc4[nH]3)CCCC2)c1 587932977 IJPWYDDQAOJAPG-GOSISDBHSA-N 350.422 4.155 0 1 FIAF COc1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cc1Cl 587950132 PRGRLYHDOAEGNW-CJKMCJCZSA-N 374.868 4.378 0 1 FIAF Cc1cc2c(cc1F)[C@@]1(CCOc3cc(Br)ccc31)NCC2 962093933 SAGFXKVFGGCSGH-SFHVURJKSA-N 362.242 4.068 0 1 FIAF Nc1oc2ccccc2c(=O)c1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962658164 BTELITYVEPEPRV-QFIPXVFZSA-N 368.436 4.277 0 1 FIAF COc1cc(C2=CCCCc3c2ccc2c3CCN2)cc(OC)c1OC 1772585578 YQJCTVZJZMYEDJ-UHFFFAOYSA-N 351.446 4.448 0 1 FIAF Cc1cc(C)cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)c1 12469079 LVZFCPBLSNXJPR-FQEVSTJZSA-N 354.469 4.179 0 3 FIAF OCC1(C[C@H]2CCCCO2)CCN(Cc2ccccc2-c2ccco2)CC1 13593595 HIKUYHZMMMLRKM-HXUWFJFHSA-N 369.505 4.480 0 3 FIAF COc1ccc2c(=O)cc(-c3ccccc3)oc2c1C1=CC(C)(C)OC1=O 5762038 SKQPIWMUDPBWMV-UHFFFAOYSA-N 362.381 4.187 0 1 FIAF biogenic CC(C)=CCn1c2c(ccc1=O)[C@@H](NCCc1ccc(F)c(F)c1)CCC2 13743310 WCDPVWJJZDTROK-FQEVSTJZSA-N 372.459 4.302 0 1 FIAF C[C@](CO)(CCCOCCC[C@](C)(CO)c1ccccc1)c1ccccc1 28459787 UKNKRMSLEXHXAN-DNQXCXABSA-N 370.533 4.464 0 1 FIAF COc1cccc(CN2CCC(Nc3n[nH]c4ccc(Cl)cc34)CC2)c1 28529211 RCYSBANHYUZXBM-UHFFFAOYSA-N 370.884 4.301 0 1 FIAF C[C@@H](C(=O)O)N(C)CCOc1ccccc1Sc1cccc(Cl)c1 40567341 LDWWIPUCUNFEAR-ZDUSSCGKSA-N 365.882 4.275 0 1 FIAF Cc1cc(C)c(CN2CCC(Cn3c(=O)oc4ccccc43)CC2)c(C)c1 40897672 IRRPTDDKAWFOHV-UHFFFAOYSA-N 364.489 4.432 0 1 FIAF CC(=O)N1N=C(Nc2nc3ccc(C)cc3s2)C[C@@H]1c1ccc(O)cc1 45300359 XXEWJJPSXIBWSF-MRXNPFEDSA-N 366.446 4.029 0 1 FIAF CC(=O)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CCC(=O)c2coc(c21)C3=O 85983214 GDCYYXQGEPRZNL-XBKVZVGVSA-N 352.430 4.422 0 1 FIAF biogenic CCCOC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 103186401 ZPSWZNSJUBBMPO-BVBGJJFLSA-N 372.292 4.491 0 1 FIAF CCOC(=O)c1oc2cccc(OCCNCc3ccccc3)c2c1C 103277978 GZZFXOFYLRMFLQ-UHFFFAOYSA-N 353.418 4.087 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H]2C=C(CCCCC(=O)O)C[C@@H]21 169692551 JANVYOZZTKSZGN-VITYAAETSA-N 350.499 4.072 0 1 FIAF CCCn1c(Oc2cncc(Cl)c2)nc2nc(C3CCCC3)[nH]c2c1=O 198734512 PWBRVNOLYDAPNP-UHFFFAOYSA-N 373.844 4.028 0 1 FIAF C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C 238752733 XYKLXGAMSCMNFT-MIGCLJMXSA-N 374.477 4.159 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC)c(Cl)cc2[nH]1 586916494 MQFRZEFQDGTPTA-ZUOKHONESA-N 370.836 4.441 0 1 FIAF c1ccn(-c2sc3c(c2-c2nc4cc5c(cc4[nH]2)OCCO5)CCC3)c1 587033408 UQFSXZJRPKUFGG-UHFFFAOYSA-N 363.442 4.342 0 1 FIAF Fc1cnc(Cl)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc12 587092559 WENJIULKNUFVLP-UHFFFAOYSA-N 362.739 4.467 0 1 FIAF NC(=O)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128730 OPNHBBMMGVFMQY-UHFFFAOYSA-N 370.384 4.390 0 1 FIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccnc(Br)c2[nH]1 587149418 GFZBRXAYCUEUJL-SSDOTTSWSA-N 354.154 4.139 0 1 FIAF O=C(N[C@@H](c1ccccc1)c1nc2cc(Cl)cnc2[nH]1)c1ccccc1 587217324 CDCVQINMNXSWMN-KRWDZBQOSA-N 362.820 4.131 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587233677 SLVOKHQMYCOCNN-JGVFFNPUSA-N 373.350 4.280 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(N3CCCC3)cc1C)O2 587381606 KHFLNGXIXWKQGN-FQEVSTJZSA-N 354.425 4.331 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc4ccncc14)[C@@H](C2)C3=O 587422331 YLOAWKYHQOIOAX-RNODOKPDSA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1csc(-c4cccs4)n1)[C@@H](C2)C3=O 587453677 YIHHLXYDDDWWHC-GTNSWQLSSA-N 355.440 4.369 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCOC)CC2=O 587477129 FDJUHOLBZJKOOE-NRFANRHFSA-N 356.418 4.208 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)cc(OC)cc1OC)CC2=O 587484123 WRTRYIPUIKMMOG-IBGZPJMESA-N 372.417 4.077 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(Cl)s1)CC2=O 587496450 XVYQVJSUJREFPH-KRWDZBQOSA-N 366.822 4.005 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cccc1Cl 587540600 BBYIFONDETYWNO-XLIONFOSSA-N 368.772 4.454 0 1 FIAF CC(=O)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604800 YSHWXRHWXABIFT-UGKGYDQZSA-N 360.365 4.298 0 1 FIAF COC(=O)Cc1ccccc1-c1nc2ccc(Br)c(C)c2[nH]1 587783484 SOVDVMWRHCNDLV-UHFFFAOYSA-N 359.223 4.016 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccccc1F 587869009 XFRCIVWCIDPKLE-UHFFFAOYSA-N 351.303 4.160 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3c(C)c(Br)cnc3[nH]1)CC2 587935924 WHBTZMUHNUBVAJ-GFCCVEGCSA-N 372.266 4.310 0 1 FIAF O=C(c1ccccc1)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 618017076 ZTWFGEJPQLYWAJ-SFHVURJKSA-N 364.420 4.424 0 1 FIAF CCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C 653849013 YFTLTLFFXNAJKG-UHFFFAOYSA-N 370.840 4.189 0 1 FIAF CCOc1cc([C@@H]2NCCc3ccc(F)c(C)c32)ccc1OC(F)F 962091055 KVELCGQCLXYTNI-SFHVURJKSA-N 351.368 4.369 0 1 FIAF Cc1cccc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1C 962624986 ARYCFHNSVBCCGJ-REWPJTCUSA-N 360.457 4.040 0 1 FIAF CCOC(=O)[C@@]1(c2ccc(CC)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963098357 GMPFJXNQJSODDR-WMZHIEFXSA-N 367.464 4.215 0 1 FIAF CSc1sc(C(=O)Nc2ccsn2)c2c1-c1sncc1CC2 1772607777 IQCNJWDNRFHZQV-UHFFFAOYSA-N 365.530 4.401 0 1 FIAF CC[C@H](CCc1ccc(C[C@@H]2C=C(C)[C@H](O)C[C@@H]2C(C)(C)O)cc1)OC 2356352846 CLHYVNSCCZEHLX-LNRXMEIDSA-N 360.538 4.301 0 1 FIAF COc1cc(O)cc2c1[C@@H]1Oc3c(ccc4c3C=CC(C)(C)O4)[C@H]1CO2 2356649559 PSJNLMVDUBCKQD-JLTOFOAXSA-N 352.386 4.195 0 1 FIAF COc1cccc(-c2ccc3nnc(-c4ccc(OC)c(OC)c4)n3c2)c1 2382217816 KZKOTRDZGMGAEV-UHFFFAOYSA-N 361.401 4.089 0 1 FIAF Nc1nc2ccccc2cc1C(=O)NCc1ccc(-c2ccccc2)cc1 95569729 XMFAEFAZCFUPJW-UHFFFAOYSA-N 353.425 4.414 0 3 FIAF CCS(=O)(=O)N(Cc1cccnc1)c1ccc(Oc2ccccc2)cc1 594021 CLWGKJWYXFQQHA-UHFFFAOYSA-N 368.458 4.230 0 1 FIAF COc1ccc(-c2nc(C(=O)N(C)C)sc2-c2ccc(OC)cc2)cc1 13735841 OUFIJXBBZSPURW-UHFFFAOYSA-N 368.458 4.196 0 1 FIAF COc1c(O)c(CC=C(C)C)c(O)c2c1O[C@H](c1ccccc1O)CC2=O 14762635 DWICVFARTYFNMY-INIZCTEOSA-N 370.401 4.027 0 1 FIAF biogenic OCCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28468762 UANTVCVPTQKDOV-UHFFFAOYSA-N 365.452 4.055 0 1 FIAF Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1 29062341 DBQZASGDXHKXJF-UHFFFAOYSA-N 371.484 4.122 0 1 FIAF COc1c(O)ccc([C@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c1O 33832509 SBQBKTSYEKPBJF-CYBMUJFWSA-N 354.402 4.009 0 1 FIAF biogenic FC(F)(F)CCN(Cc1ccccc1C(F)(F)F)C1CCNCC1 36093161 RWDPWVKHDSRJNB-UHFFFAOYSA-N 354.338 4.212 0 1 FIAF O=C(CN1CCCCC1)NN1c2ccccc2Sc2cccc(Cl)c21 73163713 KBZSFWLURQFJSH-UHFFFAOYSA-N 373.909 4.460 0 1 FIAF CCOc1ccc(-c2cc(N[C@@H](C)CCCN(CC)CC)ncn2)cc1 82161976 BMIFLZOGFNDSQZ-KRWDZBQOSA-N 356.514 4.465 0 1 FIAF C=Cn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 101541108 DZYLBHVHVUMDOC-IIYZAJTGSA-N 368.452 4.186 0 1 FIAF CC[C@H]1[C@H](C)C(=O)C[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 102188908 QFHHXPQTADJUKH-KFUOJYHTSA-N 367.533 4.312 0 1 FIAF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@H](O2)[C@H]1/C=C/[C@@H](O)C1CCCCC1 141586526 CEHGUSRXHYTTPN-CCZBPNTBSA-N 362.510 4.479 0 1 FIAF CN1C(=O)CCc2ccc(NC(=O)N[C@H]3CC[C@H](c4ccccc4)C3)cc21 169704966 CLYGEYINXAEOCM-ROUUACIJSA-N 363.461 4.053 0 1 FIAF O[C@H](c1nc2cc(Br)c(F)cc2[nH]1)c1ccccc1Cl 587058983 KMVIIIIHCXUCBJ-ZDUSSCGKSA-N 355.594 4.200 0 1 FIAF Cn1nnc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1C(F)F 587128217 HQWDGVQKZIXTSJ-UHFFFAOYSA-N 357.389 4.447 0 1 FIAF C[C@@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171994 CYMGAHNKUOJQBM-INIZCTEOSA-N 366.179 4.032 0 1 FIAF O=C(OCc1ccccc1)N1C[C@@H]2c3c(nc4cccc5c4c3CC5)C[C@H]2C1 587211487 FPPFSRXNSGPKJE-HKUYNNGSSA-N 370.452 4.242 0 1 FIAF COC(=O)c1cccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587225490 LAZGRLOOCUENDQ-HNNXBMFYSA-N 373.453 4.106 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)cc(C)c(C=O)c1C)[C@@H](C2)C3=O 587446598 ZSJFKLLSYSKWSY-HTAPYJJXSA-N 350.414 4.096 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCSc4ccc(Cl)cc41)[C@@H](C2)C3=O 587454556 YOORXWZGNKEVRW-LIRRHRJNSA-N 358.846 4.487 0 1 FIAF CCOC(=O)[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505594 PKQNFLRLXVSRRW-QFIPXVFZSA-N 368.404 4.128 0 1 FIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC 587525563 PXKADIOFMZTPFV-GOSISDBHSA-N 368.429 4.298 0 1 FIAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587572095 NFRGVICYOHBIKZ-SIKLNZKXSA-N 361.397 4.161 0 1 FIAF Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc12 587585542 FPXBIRCMPOCGRZ-WIYYLYMNSA-N 372.380 4.051 0 1 FIAF C[C@]1(c2c[nH]c3cnccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590285 SEWNTDQCZHZMSV-DENIHFKCSA-N 372.380 4.146 0 1 FIAF CC(C)COCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593316 IRRUNKAKVVNORZ-NQIIRXRSSA-N 356.418 4.175 0 1 FIAF Clc1ccc(-c2nnn(CCCSc3nc4ccccc4o3)n2)cc1 1772597233 WCYJMWVAXYZAEZ-UHFFFAOYSA-N 371.853 4.317 0 1 FIAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCc3ccccc3)c2)c1 1772611372 TZTIOVGIXVZPRW-UHFFFAOYSA-N 372.428 4.342 0 1 FIAF O=C(Nc1ccccc1F)[C@H](c1ccccc1)N1Cc2ccccc2C1=O 8619090 LUVNLKICQQNQHX-FQEVSTJZSA-N 360.388 4.162 0 1 FIAF Fc1cccc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3)cc2)c1 100093668 HQYCZDZKQVCXCH-UBRQYEGLSA-N 358.460 4.433 0 1 FIAF Fc1cccc(N2CCN(CCCCOc3ccc4c(c3)CCC4)CC2)c1 26504356 ZEZPZJMDGOKVFA-UHFFFAOYSA-N 368.496 4.296 0 1 FIAF COCCNc1nc(NCc2ccc(C(C)C)cc2)c2sccc2n1 61929297 SVEIZWICONZVJV-UHFFFAOYSA-N 356.495 4.485 0 3 FIAF CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2ccc(N(C)C)cc2)cs1 61897091 ZQAWKFFOLCGWML-LJQANCHMSA-N 369.465 4.241 0 3 FIAF Brc1ccc2c(Br)c(Br)[nH]c2c1 14769605 DVLSPNMFRYZTJK-UHFFFAOYSA-N 353.839 4.455 0 1 FIAF biogenic C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@]3(C)C=C[C@@H]12 40786580 RNGDEOLZMRZQRM-MMBQXPGUSA-N 350.458 4.002 0 1 FIAF NC(=S)N1N=C(c2ccccc2)C[C@H]1c1cccc(Cl)c1Cl 40980874 YCXPXWJLBVMMMC-AWEZNQCLSA-N 350.274 4.388 0 1 FIAF COc1ccccc1[C@@H]1C[C@@H]2CC[C@@H]([C@@H]1OC(C)=O)N2Cc1ccccc1 195407013 LMGVVDBQPNRMPT-XHRGMSINSA-N 365.473 4.147 0 1 FIAF COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 45188771 CVGVOOORORQOOE-KPZWWZAWSA-N 354.277 4.256 0 1 FIAF CN(C(=O)c1cnc(N2CCCCC2)nc1-c1ccco1)C1CCCCC1 82142436 XRBQFAMYPVEDPT-UHFFFAOYSA-N 368.481 4.132 0 1 FIAF Cc1cccc(Cl)c1CNc1n[nH]c2c1Cc1cc3c(cc1-2)OCO3 45287455 QMAHTEQOIWAAMM-UHFFFAOYSA-N 353.809 4.284 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CCC[C@H](N)C3)s2)o1 40834015 NTUMJMHWGWBERQ-RYUDHWBXSA-N 366.556 4.403 0 1 FIAF COc1ccc(/C=C2\C[C@@]3(OC(=O)c4cccc(F)c4)CCCN2C3)cc1 96018824 DIUKVVDKEIPDSR-PSXBWXLBSA-N 367.420 4.271 0 3 FIAF COc1cc(/C=C/C(=O)OCO)ccc1OC/C=C(\C)CCC=C(C)C 238778158 AAJFSRCGOHSTPA-KAZNXQFFSA-N 360.450 4.273 0 1 FIAF C[C@H]1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1cccc(Cl)c1 2382232348 QMCJDGYFVFEQDB-JTQLQIEISA-N 373.869 4.165 0 1 FIAF N=c1[nH]cc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2F)[nH]1 2382262199 LUVQVRUDLMSXSQ-UHFFFAOYSA-N 365.195 4.187 0 1 FIAF COc1cc(-c2nc(-c3ccc(Cl)cc3)cnc2O)cc(OC)c1OC 299821938 COFNYVWCHZZZJI-UHFFFAOYSA-N 372.808 4.195 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(O)cc1F 587557414 NIDYACUCAXTKQW-FXAWDEMLSA-N 370.307 4.079 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc([C@H](C(C)C)N(C)C)[nH]c3c2)cc1 587199147 XHOVAZFIXGZNEE-IBGZPJMESA-N 367.449 4.401 0 1 FIAF COCC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596339 NPQBQHLRPPNVJZ-UTKZUKDTSA-N 356.418 4.175 0 1 FIAF Cc1ccnc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc12 587035276 ULAIACLGULTNQT-UHFFFAOYSA-N 370.478 4.288 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(COC)ccc1OC)CC2=O 587479186 LPDZIDHUHUELAR-FQEVSTJZSA-N 356.418 4.206 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc(F)c1F 587559440 XLOWCFLIKIKRQE-OXJNMPFZSA-N 370.307 4.079 0 1 FIAF Cc1ccc(S(=O)(=O)n2ccc(-c3cc4c5c(cccc5n3)CC4)c2)cc1 587217599 XZXJZPWPCFJINH-UHFFFAOYSA-N 374.465 4.347 0 1 FIAF COC(=O)c1ccc2nc(CSc3ccc(C)cc3C)[nH]c2c1OC 586965208 TYPCLYKZVNBTHB-UHFFFAOYSA-N 356.447 4.267 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Cl)c(N)cc31)CC2=O 587463850 ZDRIVZQZZMOYGX-FQEVSTJZSA-N 357.837 4.387 0 1 FIAF CCCn1nc(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587763044 HOPVEOGWWGCZPW-BMLIUANNSA-N 366.278 4.127 0 1 FIAF CCN(/C=C(\F)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)CC 587707234 UXTHZYDZJFRCDX-LLZFSEOVSA-N 359.258 4.316 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3[nH]ncc23)N1 587791649 GRLIEZOHDMOXHO-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF Oc1c(Br)ccc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587108134 HUHKCYFFSXJAKG-UHFFFAOYSA-N 358.117 4.112 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)nc1Cl)O2 587373901 VSXATRVQMPLQET-LBPRGKRZSA-N 367.630 4.095 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4cncc(Cl)c4[nH]3)n2C)cc1 586965044 ILAJERYUAKEYFN-UHFFFAOYSA-N 370.869 4.008 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nn(C)cc3c2)N1 587760921 QVKGGZONVNZSAY-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)c(F)c(F)c3[nH]1)C2 586886907 QXYSZUMOYSENNN-CIUDSAMLSA-N 367.193 4.242 0 1 FIAF CCO/C=C(/C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106267 KJRQQIVTDKJRLN-QGOAFFKASA-N 373.408 4.387 0 1 FIAF CCOc1ccc([C@@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441836 HVWWZLLRQBOWSR-XMSQKQJNSA-N 350.414 4.147 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(N)c2)N1 587718826 OLGNMDLLPNLKMY-XLFHBGCDSA-N 367.237 4.107 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)s2)N1 587846555 ICHPVZTZESXYAU-GLEZIHRCSA-N 354.244 4.086 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1ccccc12 587612898 WLBLYRVJAHLJFP-NZQKXSOJSA-N 374.392 4.422 0 1 FIAF N[C@@H](N=O)c1ccc2oc(C(=O)c3ccc(Br)cc3)cc2c1 957577780 TYDYUBRSQDDGEQ-INIZCTEOSA-N 359.179 4.150 0 1 FIAF Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ccc12 1772657500 PGJNVUTWWBWVFA-UHFFFAOYSA-N 357.413 4.413 0 1 FIAF CN(C(=O)c1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2F)C1 12027560 UPXKRJSRKTYZHJ-SFHVURJKSA-N 360.860 4.216 0 3 FIAF O=C1c2cccc3cccc(c23)N1CCCN1CCN(c2ccccc2)CC1 13531133 VIARBGKDMZJXMC-UHFFFAOYSA-N 371.484 4.012 0 1 FIAF CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](O)CO 206749379 YICVZGXPPMTJCG-VAVNNBBDSA-N 350.499 4.248 0 1 FIAF C[C@@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F 165001630 IEPLJQBGZPLEGV-SECBINFHSA-N 354.406 4.274 0 1 FIAF CNc1cc(-c2ccc3cnn(CC4CCCCC4)c3c2)cn(C)c1=O 1857571257 FKYHDCSIWAYNHA-UHFFFAOYSA-N 350.466 4.024 0 1 FIAF Cc1cc(N)nc(CCc2cc(CC[C@H]3CCCN3C)cc(F)c2F)c1 1857589203 DWIFPRVVASXUJK-GOSISDBHSA-N 359.464 4.062 0 1 FIAF O=P1(Nn2cnnc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 4164330 YXDQUNPMGONUJF-UHFFFAOYSA-N 350.318 4.127 0 1 FIAF CC(=O)Nc1cccc([C@]2(C)CCN(CCc3ccccc3)C[C@@H]2C)c1 13587973 DSKWWUVQDXHXCE-FDDCHVKYSA-N 350.506 4.487 0 1 FIAF Cc1c(CN2CCC[C@@H](CCC(=O)N3CCCC3)C2)[nH]c2ccccc12 15066565 RUZWPYAMXFMFJB-SFHVURJKSA-N 353.510 4.091 0 1 FIAF Cc1cc2c(c(O)c1Br)C(=O)C(=O)[C@]1(C)CC[C@@H](C(C)C)[C@@H]21 15267042 LJUSWSWJFIZLDY-OGJWQKAUSA-N 365.267 4.384 0 1 FIAF biogenic O=C(c1ccc(O)c([C@@H](Cc2ccccc2)C(=O)O)c1)c1cccs1 29408330 JTBSOOIHMNZATA-MRXNPFEDSA-N 352.411 4.096 0 1 FIAF Cc1ccc2c(CC(=O)Nc3nc4ccc(F)cc4s3)cc(=O)oc2c1 71333679 NWNITHCJTSDWKY-UHFFFAOYSA-N 368.389 4.031 0 1 FIAF Fc1ccc([C@@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)c(F)c1 72113173 ZDAMNCNRIQMBFG-GJZGRUSLSA-N 364.758 4.495 0 1 FIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82133388 BULJOBPTLVSSJU-BBWFWOEESA-N 366.509 4.154 0 1 FIAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CCCC[C@@H](O)/C=C\2 299822944 RDUZQLUQTGZOSA-ZBTGYSDGSA-N 356.418 4.302 0 1 FIAF CCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1 299868882 SONXINISKZIKPN-UHFFFAOYSA-N 374.391 4.391 0 1 FIAF Cc1ccc([C@H](C)[C@H](O)c2nc3c(F)cnc(Br)c3[nH]2)cc1 586893060 UJCSCMKJJIFUCH-XPTSAGLGSA-N 364.218 4.005 0 1 FIAF Oc1ccc(C2(c3nc4cc(Cl)nc(Cl)c4[nH]3)CCOCC2)cc1 586912586 INUOGAFBKLGQPP-UHFFFAOYSA-N 364.232 4.067 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3ccccc3n1C(F)F)O2 587381970 JLQLEBQHWYJUGG-LJQANCHMSA-N 357.360 4.203 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N3CCCCC3)ccc1N)O2 587398969 JVZGQQWYKBVIAH-JOCHJYFZSA-N 365.477 4.030 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@H](C1)N3Cc1ccccc1)O2 587402133 YWFPMYIFHCQSDR-FEJSZKPUSA-N 362.473 4.108 0 1 FIAF C[C@@]1(c2ccc(NC(N)=S)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531241 GWAIIYCQQAMWGW-NRFANRHFSA-N 366.486 4.102 0 1 FIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)n1 587554403 XHABURLOKDMHPH-FXAWDEMLSA-N 367.788 4.452 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Cl)c2)N1 587704878 KXMRSGIWSIFAGI-ANRSDYALSA-N 355.638 4.260 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cn(C)nc23)N1 587761792 WFGYXGPRLQWDFB-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF CCO[C@@H]1C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587814465 ZNTGVLSSEIUOPG-FGDXXIHYSA-N 356.279 4.153 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(O)CCCCC2)N1 587822539 PCEZYBLAQCIXCE-ZBEGNZNMSA-N 356.279 4.033 0 1 FIAF Cc1ccc(Cl)c([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1F 963018822 CQMYEJCBBNIFTK-FKIZINRSSA-N 358.844 4.104 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)[C@H](C)Oc1cccc(F)c1 963057008 OFHTXKXLILMKLG-FPTDNZKUSA-N 366.436 4.211 0 1 FIAF Cc1ccc(C(=C2C(=O)Nc3ccc(N)cc32)c2nc3ccccc3[nH]2)cc1 1857624512 XEXXZNRVWFKESS-UHFFFAOYSA-N 366.424 4.365 0 1 FIAF CCCNC(=O)c1oc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N 1857750985 PHJQTZHNYJUDNO-UHFFFAOYSA-N 369.368 4.297 0 1 FIAF CCCCCC=CC[C@@H](O)C=CC=CC=C[C@H](O)CCCC(=O)OC 2356313398 XTTJWWYYCJFEAQ-UXHICEINSA-N 350.499 4.247 0 1 FIAF COC(=O)c1cc(Cl)c(C)c2c1NC(=O)c1cc(Cl)ccc1O2 2356566457 HUIPLTJKSZEWPF-UHFFFAOYSA-N 352.173 4.446 0 1 FIAF Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1 13560065 OQGLRMIBYLADSW-RRMPHLOHSA-N 353.535 4.347 0 1 FIAF in-vivo C/C=C(/C)C(=O)OC/C=C\c1cc(OC)c(OC(=O)/C(C)=C\C)c(OC)c1 14709484 DDRSRJPRVMERSF-NGUAXFINSA-N 374.433 4.098 0 1 FIAF O=c1cc(Cl)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1 14968511 DHGDSKLRFDOJEF-UHFFFAOYSA-N 358.669 4.113 0 1 FIAF CN(C(=O)CCCOc1ccc2c(c1)CSC(=O)N2)C1CCCCC1 26822626 VYOUBFGYIXHFAA-UHFFFAOYSA-N 362.495 4.415 0 1 FIAF CC(=O)N1c2ccccc2S[C@@H]1c1ccc(OCCCN(C)C)cc1 28015947 GELOQKPOIIYWIR-HXUWFJFHSA-N 356.491 4.175 0 1 FIAF O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1C[C@H]1CNc2ccccc21 28239761 UWNODOKMPURDDA-HTAPYJJXSA-N 367.452 4.444 0 1 FIAF CN1CCN(C2=Nc3ccccc3CC=C2c2cccc(Cl)c2)CC1 40503885 NNWTXRVFFYQQLI-UHFFFAOYSA-N 351.881 4.257 0 1 FIAF Cc1nc(C(F)(F)F)ccc1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O 49048746 OVKZZLHKBZVHBQ-SECBINFHSA-N 372.778 4.334 0 1 FIAF FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 58581686 LYTRMOLMTBLUAN-UHFFFAOYSA-N 368.452 4.099 0 1 FIAF CCOc1ccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)cc1 72184317 WSBQWLJENPILPH-UHFFFAOYSA-N 360.417 4.234 0 1 FIAF CCC/N=c1\c(NC(=O)c2ccc(Cl)cc2)c(O)oc2ccccc12 103532222 JAHBSLSQHPBJPJ-PGMHBOJBSA-N 356.809 4.355 0 1 FIAF O=C(N[C@H]1CCc2cc(Cl)cc(Cl)c21)[C@H]1CCOc2ncsc21 220883185 OLPOMNJRPMMVAZ-JQWIXIFHSA-N 369.273 4.120 0 1 FIAF CC(C)C[C@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586902022 VWNDANGXLLRXBX-VIFPVBQESA-N 351.166 4.424 0 1 FIAF Cc1ccnc2[nH]c(COc3ccc(Cl)cc3Br)nc12 586977023 SYKJORHTMDEVOV-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF CCc1ccc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1Br 586978291 ZQYIWVMGTDINHA-UHFFFAOYSA-N 372.266 4.257 0 1 FIAF O=c1ccc(-c2nc3cccnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587059525 WDXGPXYIFRUIBL-UHFFFAOYSA-N 371.227 4.142 0 1 FIAF CCc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132153 LJCUXIZUQMCRBB-LBPRGKRZSA-N 351.397 4.095 0 1 FIAF COc1cc(O)c(-c2cc3c4c(cccc4n2)CC3)cc1Br 587208298 OPLJRSSQACTRBN-UHFFFAOYSA-N 356.219 4.477 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc3ncccc3c2[nH]1 587232880 COTQKOCKMBEDPC-DZGCQCFKSA-N 352.438 4.272 0 1 FIAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)c(Cl)cc3[nH]1)C2 587247591 UJJUZVAGNBJRJR-GOSISDBHSA-N 362.260 4.221 0 1 FIAF Nc1ccc(C(=O)CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587251639 KOIAEHCPMFZYRS-UHFFFAOYSA-N 351.303 4.119 0 1 FIAF COC[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344527 CZZOVWJTKKPKKS-PZJWPPBQSA-N 356.393 4.076 0 1 FIAF COc1ccc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587375976 GFNUOLGFEQMHMD-INIZCTEOSA-N 362.223 4.055 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1F)[C@@H](C2)C3=O 587424468 OMRMKJBAWWCCFT-YVEFUNNKSA-N 363.182 4.086 0 1 FIAF COc1cc2c3c(c1)O[C@](COCc1ccccc1)(C(C)C)[C@@H](C2)C3=O 587443787 PQVWSEYMOGKNIP-PGRDOPGGSA-N 352.430 4.054 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(Cc1nc4ccccc4s1)[C@@H](C2)C3=O 587453696 RYFFFWSMEPXJSX-RBZFPXEDSA-N 351.427 4.054 0 1 FIAF COCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587523691 OMDPLDCSCAQCRN-NRFANRHFSA-N 368.429 4.003 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1F 587558692 SVPYVGLVCGNRLH-XLIONFOSSA-N 354.308 4.373 0 1 FIAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cc(F)ccc1F 587624993 YEJFAAJQAFWFQS-UHFFFAOYSA-N 363.747 4.426 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(O)cc2F)N1 587720164 MTTKBFGUPSQMTO-HYORBCNSSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nn(C)cc23)N1 587762070 XBMFYFASPOKRNN-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF Cc1cncc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587773461 IVDDVFJSMWUZMA-BLLLJJGKSA-N 363.274 4.500 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccccc32)N1 587836359 SZAKPHXDRCVRQX-VOJFVSQTSA-N 362.242 4.149 0 1 FIAF O=C([C@H]1Cc2ccccc2[C@H](c2cc(-c3ccccc3)no2)N1)C(F)(F)F 962761958 ILHZCFNNHQUBID-SJLPKXTDSA-N 372.346 4.077 0 1 FIAF Cc1cccc([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962970267 FZPJWCKEOBOVBH-HNAYVOBHSA-N 365.807 4.097 0 1 FIAF CCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1CCc1ccccc1 2356773220 UABXRQZSVGUZMR-IBGZPJMESA-N 370.489 4.239 0 1 FIAF O=C(c1ccco1)N(C(=S)OCCc1ccccc1)c1ccccc1 3648435 MQDMRGAFVCZTEC-UHFFFAOYSA-N 351.427 4.471 0 1 FIAF CCCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21 3815560 ZRNVMCXGAZFVMN-UHFFFAOYSA-N 363.248 4.148 0 1 FIAF CCC[C@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1cccnc1 3960741 SXLALDHKZVXSQE-INIZCTEOSA-N 350.422 4.206 0 1 FIAF Cc1c(Sc2ccccc2)n(C/C=C/C2CCCCC2)c(=O)[nH]c1=O 6520168 DYESNTMHYVAJGR-DHZHZOJOSA-N 356.491 4.133 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 102313658 PTGGVIKFNQSFBY-FDQRDGONSA-N 358.478 4.210 0 1 FIAF CC(C)(C)[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 100852695 OYFATNWHESZHAW-WGSAOQKQSA-N 369.553 4.020 0 1 FIAF CCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1 28643908 DSUVCCZAHHHFQN-UHFFFAOYSA-N 358.449 4.149 0 1 FIAF COc1cccc2c(=O)n(-c3ccccc3C)c(/C=C/c3ccccn3)nc12 29476334 RAEBQXZJUIOLKP-BUHFOSPRSA-N 369.424 4.268 0 1 FIAF COc1cc2c(cc1OC)[C@H]1C(=O)c3cc4ccoc4cc3O[C@H]1CC2 2356573882 DDBGUFDZUZVINK-MGPUTAFESA-N 350.370 4.124 0 1 FIAF Cc1cnc(C)c(Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)n1 61908752 YRXDOYCZDSNIJE-CQSZACIVSA-N 359.886 4.189 0 3 FIAF COc1ccccc1-c1c[nH]c2ncnc(-c3ccc4cn(C)nc4c3)c12 218975502 UXUZYJDYRPTVAC-UHFFFAOYSA-N 355.401 4.187 0 1 FIAF COc1ccc(CNC2CCC3(CC2)O[C@H](OC)Cc2ccccc23)cc1 71340959 DNIJYSZGAWKCFH-UTCTYZAISA-N 367.489 4.168 0 1 FIAF N[C@@H](CCCCCC(=O)c1cocn1)c1ncc(-c2ccccc2F)[nH]1 1911574727 UTQMWCHHCIKOKP-HNNXBMFYSA-N 356.401 4.037 0 1 FIAF COc1ccc(-n2ncc3c(NC(C4CC4)C4CC4)nc(C)nc32)c(C)c1 72124309 AXXAYNKEFXYRBC-UHFFFAOYSA-N 363.465 4.041 0 1 FIAF Cc1cccc2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc12 40556666 XZPUEHXSJYHGFS-UHFFFAOYSA-N 357.218 4.244 0 1 FIAF COc1ccc(CCNc2cc(Oc3ccc(F)cc3)ncn2)cc1OC 82067645 YGCRDLSGWJZWPM-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF C=C/C(=C/[C@@]1(C)CCCC(C)(C)C1)[C@@H]1[C@@H]2OC(=O)C[C@H]1[C@H](OC(C)=O)O2 238733420 GXSYTMVMFKTOPV-HLKZTIIFSA-N 362.466 4.130 0 1 FIAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2ccc(C)o2)C[C@@H]1C 299876802 GHRDEVMKZMPGFZ-AHYKXKOGSA-N 366.417 4.468 0 1 FIAF Nc1nc(N)c2c(-c3cccc(Cl)c3)c(-c3ccc(F)cc3)[nH]c2n1 299835007 UVQAKBKXQZRPRM-UHFFFAOYSA-N 353.788 4.249 0 1 FIAF O=C(NCCc1ccccc1)Oc1ccccc1C(=O)Nc1ccccc1 653701693 HANKULFHENXADH-UHFFFAOYSA-N 360.413 4.270 0 1 FIAF COc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1F 587126934 ITVMGMQOLKLAPG-UHFFFAOYSA-N 366.274 4.153 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCn3cccc32)[C@H]1c1ccc(F)cc1 587336119 JBFAKDHAJDMYJZ-UNMCSNQZSA-N 363.388 4.381 0 1 FIAF O=[S@](CCCc1nc2ccccc2[nH]1)c1ccc(Br)cc1 586961914 YYBZVFHGGWUVHT-OAQYLSRUSA-N 363.280 4.066 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc[nH]c3n2)N1 587801244 FETSSCXSXHYWQY-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF COC(=O)c1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c1 586977042 MMGFPUXRYOKBRL-UHFFFAOYSA-N 359.223 4.011 0 1 FIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Cl)ccc(F)c12 587510855 XPBALYSSNRPBHJ-HXUWFJFHSA-N 371.795 4.171 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COc2cccc(F)c2)N1 587728825 FWHDVLQGKVPNSP-BONVTDFDSA-N 368.221 4.382 0 1 FIAF COc1ccc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587721918 WQTFVMFFBQPYCY-HUTHGQBESA-N 368.221 4.360 0 1 FIAF Cc1cc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc2c(C)n1 587017897 PNKKZBIDNWXICX-UHFFFAOYSA-N 372.457 4.412 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)Cc1ccc3c(c1)OCO3)CC2=O 587493143 SETSMIMWMFDJRP-XCLFUZPHSA-N 368.429 4.286 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587951955 KMZGAAVETADZRN-BLIXFSHQSA-N 370.541 4.361 0 1 FIAF Nc1ccc(-c2ccc3nc(C4(c5ccc(O)cc5)CC4)[nH]c3c2)cc1N 586898316 GGUCJWYVUVRIHT-UHFFFAOYSA-N 356.429 4.180 0 1 FIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(Br)nc3[nH]2)c1F 587151773 IRBKEHLHPIYJAR-IUCAKERBSA-N 350.166 4.270 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3C)c1C)O2 587392085 WDAVVSBBCRDIIM-FQEVSTJZSA-N 361.445 4.395 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(C=O)c1)(C1CC1)CC2=O 587491658 YBLQODZDLMAPTF-JOCHJYFZSA-N 350.414 4.428 0 1 FIAF N=c1[nH]c(-c2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cs1 587021051 HJLJCYASYHRGLO-UHFFFAOYSA-N 362.245 4.468 0 1 FIAF O=C(N[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4)OCc1ccccc1 587211274 OIPOGPZCSPKWRN-QGZVFWFLSA-N 358.441 4.117 0 1 FIAF O=C([C@H]1Cc2ccccc2[C@@H](c2cc(-c3ccccc3)no2)N1)C(F)(F)F 962761955 ILHZCFNNHQUBID-AEFFLSMTSA-N 372.346 4.077 0 1 FIAF COc1ccc(-c2ccc([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)o2)cc1 963033136 PUTUWLNRLQHYTD-WNSKOXEYSA-N 374.440 4.098 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2C(C)=O 1857536557 DJJZPTWGFYVUFB-GXYAOEHPSA-N 374.521 4.059 0 1 FIAF CS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)OCO3)cc1 3814683 SIGUPSKJHJMMAX-UHFFFAOYSA-N 370.401 4.292 0 1 FIAF Cc1ccccc1NCCNn1c(-c2ccccc2)nc2ccccc2c1=O 103172249 WFKGDMSFKJMWQC-UHFFFAOYSA-N 370.456 4.028 0 1 FIAF CC[C@@H](CO)Oc1cc(NCc2cccc(O)c2)c2ncn(C(C)C)c2c1 61948941 VBUXSNHGUJCHOX-KRWDZBQOSA-N 369.465 4.085 0 3 FIAF CC[C@H]1C(=O)N2C(C(=O)OCc3ccccc3)=C(c3ccccc3)S[C@H]12 26386593 YZJZTHCPJNTLDY-OXJNMPFZSA-N 365.454 4.040 0 1 FIAF CSc1ccc(O[C@@]2(C)CCN(Cc3ccc4c(c3)OCCO4)C2)cc1 61905087 JKXSUYVRWMYMPC-NRFANRHFSA-N 371.502 4.223 0 3 FIAF Cc1cc2[nH]c(C(=O)O)cc(=O)c2c(C)c1Oc1ccc(O)c(C(C)C)c1 28570772 NCPFGULZSPSFGH-UHFFFAOYSA-N 367.401 4.464 0 1 FIAF O=c1cc(N2CCOCC2)oc2cc(/C=C/c3ccc(Cl)cc3)ccc12 28530002 VBTBLVQCTLLCIE-OWOJBTEDSA-N 367.832 4.453 0 1 FIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@@]41COC(=O)O1 2356739042 WIYJSBIUVLCAHT-NJANFRHXSA-N 362.466 4.390 0 1 FIAF CC(=CCCC1=CC(=O)O[C@H]1O)CCC=C(C)CCC[C@@H](C)C(=O)O 2356787863 BRWKDBAXWVCQIQ-OXQOHEQNSA-N 350.455 4.132 0 1 FIAF CC1=C[C@H]2O[C@H](CC(=O)O)[C@H]1[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]21 2356806243 VPYDKRNAPAGWFD-KXSQRSEFSA-N 362.510 4.024 0 1 FIAF COc1cccc2c1C(CCCN1CCN(c3ccccn3)CC1)=CCC2 25986547 LFPMDBSDZKZDIJ-UHFFFAOYSA-N 363.505 4.022 0 1 FIAF CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@](C)(C(=O)CO)C=C3CC[C@H]12 33833601 KPLNBGZQVQIMOU-MPAQAYSTSA-N 362.510 4.060 0 1 FIAF biogenic,in-vitro COc1cccc([C@H]2Cc3ccc(OC)cc3[C@@H](CCNC(C)=O)C2)c1 40916047 PTHAYGOTNLRTGW-OALUTQOASA-N 353.462 4.044 0 1 FIAF CC(C)NC(=O)[C@@H]1CCCN1c1nc(-c2ccc(C(C)C)cc2)cs1 82191960 XTSLAWHTOSKKOM-SFHVURJKSA-N 357.523 4.427 0 1 FIAF Cc1[nH]nc2c1[C@@H](c1ccc(Br)cc1)N(c1ccccc1)C2=O 199729611 CESNVVKMZQLNTG-QGZVFWFLSA-N 368.234 4.230 0 3 FIAF Clc1ccccc1-c1nccnc1C1CN(c2ncc3ccccc3n2)C1 140114659 MKUSSDGEWSNCEL-UHFFFAOYSA-N 373.847 4.344 0 1 FIAF COC(=O)C1=C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@H]1C3 238784216 OJSJNWQDEOTLSR-WDHHGGSLSA-N 360.494 4.282 0 1 FIAF O=C(O)C[C@H]1COc2cc(OCc3ncc(-c4ccccc4)s3)ccc21 653737629 MACVVXQKXINGST-AWEZNQCLSA-N 367.426 4.340 0 1 FIAF CC(=O)Oc1cccc2cc(-c3cc(Br)cs3)c(=O)oc12 653899226 QMHMYYLBSQKXCA-UHFFFAOYSA-N 365.204 4.209 0 1 FIAF CC(C)(C)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2n1 586996663 IVPUJFZIDFSQSP-CYBMUJFWSA-N 373.298 4.260 0 1 FIAF COC(=O)c1ccnc2nc(-c3sccc3-c3ccc(F)cc3)[nH]c12 587165538 YUNVTRGMKREGOL-UHFFFAOYSA-N 353.378 4.279 0 1 FIAF CCCC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587482498 OUIHXOVANFQMRL-HRAATJIYSA-N 362.466 4.438 0 1 FIAF N[C@@H](Cc1ccccc1Cl)c1nc2cccc(OC(F)(F)F)c2[nH]1 587059697 UVBRLNCRWCSWRO-NSHDSACASA-N 355.747 4.357 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCc4[nH]c5ccc(C)cc5c4C1)[C@@H](C2)C3=O 587437726 JMRCHVIEIWAWPG-GAJHUEQPSA-N 359.425 4.160 0 1 FIAF Cc1cnc(Cl)c2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc12 587232744 BKBARBIJHXBWTJ-QWRGUYRKSA-N 350.850 4.081 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)cnc1Cl)[C@@H](C2)C3=O 587420131 IOLUGXQYBCVTOO-GTNSWQLSSA-N 350.201 4.060 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(Oc3ncccn3)c1)O2 587393949 ONDXHFAWPFTRMG-NRFANRHFSA-N 361.401 4.040 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCOc4cc(Cl)ccc41)[C@@H](C2)C3=O 587421493 MSUBZEPWDJGJAL-MGPUTAFESA-N 356.805 4.164 0 1 FIAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(C)cnc3[nH]2)cc1F 587145255 VHPDVBKTVOVLRY-UHFFFAOYSA-N 361.376 4.312 0 1 FIAF Cc1c(Br)cc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2c1C 587079232 IEJKWXPHXDZWKM-VIFPVBQESA-N 353.651 4.401 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nc[nH]c3c2)N1 587801026 CFBXMLIIGMEUAP-XYZCENFISA-N 360.230 4.088 0 1 FIAF Cc1cccnc1[C@@]1(c2cccc(C)c2C)NCCc2nc3ccccn3c21 962983705 MEFIPORLUOIVNK-XMMPIXPASA-N 368.484 4.092 0 1 FIAF CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccc(OC)cc1)[C@@H]23 1772618387 AOTAQGGKMMBVFZ-PDGJWGCVSA-N 370.537 4.200 0 1 FIAF O=C(O)C1=C(c2ccccc2)c2ccccc2O[C@@H]1c1ccc2c(c1)OCO2 13473343 UCOQIZHGNIKEJW-JOCHJYFZSA-N 372.376 4.436 0 1 FIAF Nc1nc(NCC2CCCCC2)c2c(n1)NC[C@H](c1ccc(Cl)cc1)N2 13474493 RQCRZQBYIWDMKJ-OAHLLOKOSA-N 372.904 4.283 0 1 FIAF CCCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1 13553811 HIMBHVCRVXEWJU-UHFFFAOYSA-N 372.900 4.432 0 1 FIAF COC(=O)c1cccc([C@]2(C)CCN(CCc3ccccc3)C[C@@H]2C)c1 13587976 MFOJFLGOVDOOCY-FDDCHVKYSA-N 351.490 4.315 0 1 FIAF Cc1cc(-c2ccc3c4[nH]ncc4c(=O)n(CC(F)(F)F)c3c2)cc(C)n1 205047268 FRXWODALKQNSAA-UHFFFAOYSA-N 372.350 4.119 0 1 FIAF CSc1ccc2cc3n(c2c1)CCN1C(=O)c2cc(F)ccc2N(C)[C@@H]31 1857564523 ROQCHGPCBYDJLI-LJQANCHMSA-N 367.449 4.107 0 1 FIAF COc1cc(-c2cnc3cnc(-c4ccccc4Cl)cn23)ccc1O 1857609597 TUQAJXWLVCIZOH-UHFFFAOYSA-N 351.793 4.431 0 1 FIAF CC(C)(C)NC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(Cl)cc1 4470922 VVMNTFRXAAHWDZ-LGMDPLHJSA-N 353.853 4.472 0 1 FIAF O=C(Nc1nnc(N2CCCCCC2)s1)c1csc2c1CCCC2 6750040 KOQVUBGBVWEIHH-UHFFFAOYSA-N 362.524 4.111 0 1 FIAF O=C(NCCc1ccccc1Cl)c1ccc2c(c1)nc1n2CCCCC1 8611798 PTYIHZYLIVTORT-UHFFFAOYSA-N 367.880 4.389 0 1 FIAF CCCCC[C@@H](O)CCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460203 CPLIAEGRLLEYCZ-NVXWUHKLSA-N 350.455 4.071 0 1 FIAF biogenic C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(C(=O)N(C)C)c1 13587977 LQXMBKNVTIBXNC-YADARESESA-N 364.533 4.231 0 1 FIAF O[C@](Cn1ccnc1)(c1ccc(F)cc1)c1cccc(-c2ccncc2)c1 13892869 NUNXWFKSFWEVCT-JOCHJYFZSA-N 359.404 4.020 0 1 FIAF CCOc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1 14977007 ILAWTYKZSXTVGV-KRWDZBQOSA-N 370.445 4.438 0 1 FIAF Cc1cc(C(F)(F)F)ccc1C(=O)Nc1ccccc1C(=O)NC(C)C 28528466 AVUSSQWWMZTAIB-UHFFFAOYSA-N 364.367 4.404 0 1 FIAF O[C@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccccc1 36271461 XXLPQPDHXVTHMM-SGNDLWITSA-N 373.496 4.127 0 1 FIAF CCC[C@@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 40373719 CWLFBVVMPWYBAR-RKNIQEAPSA-N 367.533 4.369 0 1 FIAF C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C4(CC4)C[C@H]3[C@@H]1CC[C@@]21C=CC(=O)O1 43206068 RZLNRXBPGQEHEO-RFYWBZLDSA-N 352.474 4.370 0 1 FIAF CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2ncc(Cl)s2)cc1 66074536 MUXDEPJZTGSJRX-UHFFFAOYSA-N 351.859 4.424 0 1 FIAF CCOc1ccc(Oc2cnn(-c3ccc(C)cc3)c(=O)c2Cl)cc1 66128858 RUTJDDCZZKJGSS-UHFFFAOYSA-N 356.809 4.385 0 1 FIAF CCOC(=O)[C@@H]1CCCCN1Cc1coc(-c2cccc3ccccc23)n1 72101692 XGDGFFVJWVIQNZ-FQEVSTJZSA-N 364.445 4.412 0 1 FIAF CCc1cnc(-c2cnc(NCCCOC)nc2-c2ccccc2)s1 82162511 KKPATGZSEAHPEH-UHFFFAOYSA-N 354.479 4.278 0 1 FIAF O=C(OCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1 95594505 KYSZDGRYJADZAK-UHFFFAOYSA-N 367.470 4.389 0 1 FIAF c1ccc2c(c1)[C@@H]1CC(c3cncs3)(c3cncs3)[C@@H]2c2cccc[n+]21 100729151 KZMYFKPKBGNIGS-PXNSSMCTSA-N 374.514 4.312 0 1 FIAF CCC(=O)N[C@H](C)C(=O)S[C@@H](C)Cc1ccc(-c2ccccc2)cc1 103190653 QDVOCQWROGVRNS-JKSUJKDBSA-N 355.503 4.459 0 1 FIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cc2ccccc2[nH]1 167482112 AQMKUCYHSZPXMA-RDTXWAMCSA-N 364.445 4.295 0 1 FIAF Cc1nn(-c2ccccn2)c2c1[C@H](c1ccsc1)[C@H]1C(=O)CCCC1=N2 169690525 DQUQBMQRDYUDDO-RBUKOAKNSA-N 362.458 4.224 0 1 FIAF c1cc2[nH]cc(-c3cncc(C4CC4)n3)c2cc1-c1nnc(NC2CC2)o1 204753802 GHJCZGQHMLEEKQ-UHFFFAOYSA-N 358.405 4.127 0 1 FIAF CC(C)Oc1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2c1 586950553 ISVCJMXSASZSSC-UHFFFAOYSA-N 373.478 4.167 0 1 FIAF N[C@H](N=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587016809 CEPKQNFWWZBCPZ-CQSZACIVSA-N 370.825 4.126 0 1 FIAF COc1cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)nn1-c1ccccc1F 587157133 WQLPKDMXADDBPX-UHFFFAOYSA-N 373.391 4.420 0 1 FIAF Oc1nc(S)nc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 587162484 BTCWRCALQKPCKH-DHZHZOJOSA-N 370.434 4.137 0 1 FIAF CC(=O)N[C@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(C)cc1 587206043 JSZWYGBVVDOTFX-CYBMUJFWSA-N 363.795 4.223 0 1 FIAF COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1CC3 587210686 DRKGQKYWVCOCNH-CYBMUJFWSA-N 356.466 4.108 0 1 FIAF Nc1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1 587250290 ZMGXXUWMRONLQR-UHFFFAOYSA-N 354.413 4.364 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(N3CCCC3)cc1C)O2 587381610 KHFLNGXIXWKQGN-HXUWFJFHSA-N 354.425 4.331 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nn(-c3ccccc3)c1C)O2 587388733 AKZZXNCVSLVNAD-JOCHJYFZSA-N 361.445 4.260 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@]1(c3cccc(F)c3)CCOC1)CC2=O 587465097 AILPVVGYWHBLKO-RBBKRZOGSA-N 370.420 4.176 0 1 FIAF COc1cc(F)cc(OC)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504083 MJPGHRIANHSEQC-IBGZPJMESA-N 356.393 4.428 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(F)c1 587567729 BMTMBKHSESTBNU-XLIONFOSSA-N 354.308 4.373 0 1 FIAF Cc1nc(F)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587736852 CESHOYKCGUWUBV-PWJLMRLQSA-N 353.210 4.054 0 1 FIAF CCCn1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587757993 WMRAQARTTVXQMB-PIGZYNQJSA-N 351.263 4.423 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2ccn3C)N1 587760124 XIHLOXRUJLNKIP-VOJFVSQTSA-N 363.274 4.041 0 1 FIAF c1c2c(cc3[nH]c(COC45CC6CC(CC(C6)C4)C5)nc13)OCCCO2 587949957 GAKPAWUODZSVKZ-UHFFFAOYSA-N 354.450 4.210 0 1 FIAF Cc1cccc([C@@]2(c3ccc(C)c(C)c3)NCCc3c(C(=O)O)cccc32)n1 963121917 MENDIQNSIFRBNA-DEOSSOPVSA-N 372.468 4.143 0 1 FIAF CCCN1[C@H](c2c(-n3ccnc3)nc3ccccn23)c2ccccc2C[C@H]1C 963232299 RHXVCGRQQAQLKN-UTKZUKDTSA-N 371.488 4.266 0 1 FIAF Cc1ccc2nc(-c3nc4ccccc4nc3NCCCN(C)C)oc2c1 1857585491 KBCGAZVHQXPRJX-UHFFFAOYSA-N 361.449 4.110 0 1 FIAF NC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 695925 JJUMZLXRSYTOKT-HZPDHXFCSA-N 362.454 4.256 0 1 FIAF Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC=CC2)c1 1487090 MEZMBROMYHPJEC-UHFFFAOYSA-N 370.518 4.394 0 1 FIAF COc1cc2c(cc1O)oc1c(-c3ccc(O)cc3)cc(C(=O)O)cc12 13452402 IIWIZLFAVSKXQB-UHFFFAOYSA-N 350.326 4.371 0 1 FIAF biogenic Cc1ccc(C)c(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)[C@@H]2N3C)c1 13470192 CVZBWJAXPTZWBP-IRLDBZIGSA-N 365.477 4.283 0 1 FIAF CCCCOc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1O 13648929 FFQWBUFJNRRLML-UHFFFAOYSA-N 369.505 4.479 0 1 FIAF CC(C)(C)c1ccc2[nH]c(N3CCN(c4ncccc4Cl)CC3)nc2c1 28347432 HLFPSEKSWJSPOD-UHFFFAOYSA-N 369.900 4.235 0 1 FIAF COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)C[C@@H](C)CC4)cc1 28948969 IFSKLVXHMZANHH-NSHDSACASA-N 372.515 4.303 0 1 FIAF CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@]1(C)Cc2cc(F)ccc2C1=O 40753758 MWXTYSXTINEBFY-ROFDPTGHSA-N 364.420 4.294 0 1 FIAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 82141875 GZYIUJVKAYRQAL-WBVHZDCISA-N 368.481 4.035 0 1 FIAF Fc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5ccccc5)C[C@@H]3N4)cc2)cc1 100106084 ABCSXOCXFCHOCM-UBRQYEGLSA-N 358.460 4.433 0 1 FIAF C(=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2nccs2)cc1)\c1ccccc1 100114116 LNZROZJAHPQAEH-WHRXZXSDSA-N 373.525 4.253 0 1 FIAF NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 101363742 HBVXHJWHKVRGLG-RUYXUALKSA-N 352.503 4.073 0 1 FIAF COc1cc(-c2ccc3ncnc(Nc4cccc(N)c4)c3c2)ccc1O 143210913 PXEGMZUZLILJBF-UHFFFAOYSA-N 358.401 4.337 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(SC(F)(F)F)cc2)C[C@@H]2CC[C@@H]1N2C 169303859 UVNCBAMPWZRVGM-ATGSNQNLSA-N 359.413 4.038 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1C[C@H]2C[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 207686505 HAJUMEFPOWPAQL-IGUVKOCZSA-N 350.499 4.479 0 1 FIAF in-vitro COc1cc2c(cc1O)[C@@H]1Cc3sc(CC4CCC4)cc3CN1CC2 210428369 ALDCLQHVTZPMQV-SFHVURJKSA-N 355.503 4.460 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 587036978 QANJWDXQUZFREX-AWEZNQCLSA-N 364.879 4.443 0 1 FIAF CCN1C(=O)C[C@@H](c2nc3ccc(F)cc3[nH]2)[C@@H]1c1ccccc1Cl 587060975 GJZDCQYZHHZEFL-ACJLOTCBSA-N 357.816 4.433 0 1 FIAF Clc1ccccc1OCc1ccc(-c2nc3ncnc(Cl)c3[nH]2)o1 587065099 SWXMFKRTORWSQB-UHFFFAOYSA-N 361.188 4.499 0 1 FIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587070737 WEGNKVATNIMNII-SECBINFHSA-N 360.772 4.430 0 1 FIAF O=C(O)c1cc(F)cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587092582 WNSQQBPWBOCBHK-UHFFFAOYSA-N 371.315 4.117 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2cc3cn[nH]c3cc2[nH]1)C1CCCC1 587225855 NDHSFXRMQWUMHH-INIZCTEOSA-N 355.442 4.195 0 1 FIAF Cc1n[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346347 MEASEUCLNBLVTF-FPOVZHCZSA-N 366.392 4.146 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)cc1C(F)(F)F)O2 587381998 MFIUKWYJXKMKIF-KRWDZBQOSA-N 364.367 4.369 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cnc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O 587422747 QLGSPLPMKYFYRC-XXFAHNHDSA-N 369.726 4.251 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2ccn3C)N1 587758599 QYGRLTBTRXGNNQ-ADLMAVQZSA-N 363.274 4.041 0 1 FIAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 587770921 KPAYQJUUXSFENN-SGTLLEGYSA-N 363.274 4.398 0 1 FIAF Cc1ccnc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587802377 LWIUOVDJQVRSDT-DYZYQPBXSA-N 374.257 4.397 0 1 FIAF CCC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587816341 WSVFFZDAPVVUOC-BMLIUANNSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC2CCOCC2)N1 587831888 AJZRYWVMUFPIOS-PIGZYNQJSA-N 356.279 4.154 0 1 FIAF Cn1cccc1CN1CCc2sccc2[C@]12CCNc1c(F)cccc12 962377590 XEZZGARFWHNAHU-NRFANRHFSA-N 367.493 4.343 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(CCc1ccc(Cl)s1)NCC2 962932540 QTTKFJCXOILIFD-LJQANCHMSA-N 362.926 4.097 0 1 FIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCC[C@H]3CCCC[C@H]32)N1 963229790 QAHMUUNSNIOKBR-IZUJZYSFSA-N 350.462 4.019 0 1 FIAF CC(C)Cn1cc(COc2ccc3cc(Br)ccc3c2)nn1 1772634855 AIKBUIFCGNIAFT-UHFFFAOYSA-N 360.255 4.429 0 1 FIAF COC(C=CC(N)=O)=CC(C)=C[C@@H]1CCCc2oc3ccc(O)cc3c21 2356421095 YPPBKUTVOZRTRY-AWEZNQCLSA-N 353.418 4.076 0 1 FIAF CCCCCC(=O)O[C@@H](CNC(=O)c1ccccc1)c1ccc(OC)cc1 2356599701 JRBYHQYMWHSECZ-FQEVSTJZSA-N 369.461 4.290 0 1 FIAF Cc1c(-c2ccc3c(c2)CNC3)ccc2c3ocnc3c(=O)n(C3CC3)c12 2382229060 UYTDJTRLSXLPIW-UHFFFAOYSA-N 357.413 4.056 0 1 FIAF O=C(O)c1ccc(-c2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc1 2382230732 QPMDODIRPSSOCF-UHFFFAOYSA-N 357.369 4.425 0 1 FIAF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1CC(c2ccccc2)=NO1 2382234090 MSFGOGLRBTYOOX-FQEVSTJZSA-N 369.428 4.232 0 1 FIAF CC(C)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1 2382239805 FKDNUEBNRIFBDZ-UHFFFAOYSA-N 373.420 4.113 0 1 FIAF O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(F)c2[nH]c(C(=O)O)cc12 2382241966 SGZRXDCBLUFTLI-UHFFFAOYSA-N 365.723 4.442 0 1 FIAF Cc1c(C(=O)CN2CCCCC2)c(C)n(C)c1C(=O)c1ccc(Cl)cc1 598838 BCRATZJXVPSAOZ-UHFFFAOYSA-N 372.896 4.195 0 1 FIAF O=C(c1ccco1)N(C(=S)OCCOc1ccccc1)c1ccccc1 1655250 MUASZSXJGBBMCG-UHFFFAOYSA-N 367.426 4.307 0 1 FIAF CC1(C)[C@@H](Cc2cc(CO)on2)C[C@H]1N(Cc1ccco1)Cc1ccco1 2356305597 PHYKURYVKVSCAV-MGPUTAFESA-N 370.449 4.013 0 1 FIAF CCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC 2485128 RRDBLBFSLYLWQI-UHFFFAOYSA-N 360.454 4.186 0 1 FIAF Cc1ccc2[nH]c(=O)c3cc(C(=O)N(C)C4CCCCC4)sc3c2c1 6739372 WYTNRDHHCWRRKB-UHFFFAOYSA-N 354.475 4.456 0 3 FIAF Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@H]1CCOC1 8582029 GONCOGHZCWCVGP-INIZCTEOSA-N 372.428 4.434 0 1 FIAF Cc1ccc([C@H]2c3c(O)nc(S)nc3N=C3CC(C)(C)CC(=O)[C@@H]32)cc1 8670254 QPHLIVHZAGSWHB-HUUCEWRRSA-N 367.474 4.003 0 1 FIAF Cc1ccc(O)c(C2=CC3=NNC(=O)[C@H]3[C@@H](c3cccc(Cl)c3)C2)c1 102956230 MVTXBXOUQKHDCY-APWZRJJASA-N 352.821 4.027 0 1 FIAF OC1(c2ccc(F)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1c[nH]c2ccccc12 101185056 LEBXHMQTGORPIS-OALUTQOASA-N 350.437 4.322 0 1 FIAF Cc1ccc(O)c(C2=CC3=NNC(=O)[C@@H]3[C@H](c3cccc(Cl)c3)C2)c1 102956223 MVTXBXOUQKHDCY-QFBILLFUSA-N 352.821 4.027 0 1 FIAF CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1c(C)cc(C)cc1C 103901720 PNIHOZITLDQIHW-MRXNPFEDSA-N 354.479 4.344 0 1 FIAF Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)occ(Cl)c2=O)cc1 26287875 BHJMSGWGUFQZNI-UHFFFAOYSA-N 374.845 4.339 0 1 FIAF CC(=O)c1ccc2c(c1)[C@@](O)(C[C@H](C)CN(C)C)c1ccccc1S2 27731854 RXLJVFFMJLBOPC-LHSJRXKWSA-N 355.503 4.178 0 1 FIAF C[C@H](CC[C@]1(C)[C@H](C)CC[C@]2(CO)C(CO)=CCC[C@@]21C)CC(=O)O 2356652312 WLKKZYQAHGKWES-VQDSBOJYSA-N 352.515 4.011 0 1 FIAF CC(=O)OC[C@]1(C)C(=O)CC[C@@]2(C)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@@H]21 2356656837 ZOMCMFCGQVIKDG-UXJHKWJQSA-N 358.478 4.448 0 1 FIAF COC(=O)CC[C@@]12[C@H]3[C@@H]4CC[C@@]1(C)[C@H]1CC[C@@]5(CCC[C@@H]25)[C@H]1N3C[C@H]4C 2356862348 UZKATYCSEUEWKQ-YBQJEIRQSA-N 357.538 4.255 0 1 FIAF CC(C)(C)c1ccc(-c2noc(CCC(=O)Nc3ccncc3)n2)cc1 70463021 WJBRXIQWDNPDMN-UHFFFAOYSA-N 350.422 4.000 0 1 FIAF C[C@H](Cn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1ccccc1 72123348 QUILLARCKJJGRL-OAHLLOKOSA-N 361.424 4.381 0 1 FIAF COc1c2c(cc3c1[C@@H]1Oc4cc(O)ccc4[C@@H]1CO3)OC(C)(C)C=C2 14613199 OHJQLSXZAOJGEK-VBKZILBWSA-N 352.386 4.195 0 1 FIAF biogenic CSC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49112133 IVGCYVKQMZLFEE-OAHLLOKOSA-N 360.262 4.080 0 1 FIAF CCC(CC)c1nc2c(NCC3CC3)ncnc2n1CCN1CCCCC1 82184886 MQODCIFIGRCNNC-UHFFFAOYSA-N 370.545 4.038 0 1 FIAF Cc1cn(CCCn2c(O)c3c4c(sc3nc2=S)C[C@H](C)CC4)cn1 261081891 BVRRXKKPSNRXPI-LLVKDONJSA-N 374.535 4.253 0 1 FIAF COc1ccc(OC)c2cc3c(cc12)C(=O)C[C@H]1[C@@](C)(CO)CCC[C@]31C 473165429 CBNUMBCNERFSLI-YTFSRNRJSA-N 368.473 4.500 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1cc(O)ccc12 587607319 HWVQVTYNSCWVAL-OFNKIYASSA-N 374.392 4.291 0 1 FIAF CC(C)OC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600154 MAWLLRPYVLKOLT-WDALLZDZSA-N 368.429 4.460 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3scc(C)n13)CC2=O 587500657 UETPYWNRTHSXBG-MRXNPFEDSA-N 356.447 4.377 0 1 FIAF CC[C@]1(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)CC(=O)c2ccccc2C1 587959942 JBUSKKXZOZUBCB-OAQYLSRUSA-N 366.392 4.168 0 1 FIAF CC[C@@]1(Cc2nc3cc(OC)c(OC)cc3[nH]2)CC(=O)c2ccccc2C1 587958916 AAGHUNAPDHAEAG-QFIPXVFZSA-N 364.445 4.348 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(N(CC)CC)s1)CC2=O 587494567 KUJOLHASJOXDPZ-MRXNPFEDSA-N 360.479 4.354 0 1 FIAF COc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1OC 586979949 YZBCFEYUPQTJSL-UHFFFAOYSA-N 368.618 4.058 0 1 FIAF CCOC(=O)[C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586990354 DBKXPILDANFOMP-AWEZNQCLSA-N 373.408 4.135 0 1 FIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(F)c(F)c3[nH]2)cs1 587019750 VHCBNWYJXAREEL-UHFFFAOYSA-N 366.393 4.235 0 1 FIAF COc1cccc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587107474 SJJAGHVPFJICKY-UHFFFAOYSA-N 352.393 4.441 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccoc3cn2)N1 587778388 MRQMJOVZLANVTE-HUTHGQBESA-N 361.214 4.353 0 1 FIAF Fc1cccc2[nH]c(-c3ccc(Br)cc3)c(N3CCNCC3)c12 587632065 CSKZAKFHCCDXDX-UHFFFAOYSA-N 374.257 4.146 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(O)cc2F)N1 587721955 XFCPDYMHSKNDCR-HYORBCNSSA-N 372.184 4.196 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)cc1C(F)(F)F)[C@@H](C2)C3=O 587419558 GUCCHUZBYUTBCH-SJCJKPOMSA-N 352.283 4.342 0 1 FIAF CCC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)COC1 587361478 YWEHCDGUBCVJHA-UYAOXDASSA-N 356.393 4.076 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](O)CC(C)C)[nH]c3c2)cc1 586901143 PRVAEMIIWFMZSE-SFHVURJKSA-N 354.406 4.221 0 1 FIAF COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c(Cl)c1 587208755 AIFSVTIIHIVGNT-UHFFFAOYSA-N 353.805 4.290 0 1 FIAF CC(=O)c1cnn(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104716 HXLHHXKYAZLJHS-UHFFFAOYSA-N 353.381 4.049 0 1 FIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1N 587740398 ATIDTIFIPZOCGF-BBATYDOGSA-N 363.274 4.277 0 1 FIAF N[C@@H](CCc1ccccc1)c1csc(NC(=O)Nc2ccccc2)n1 74385334 ULXCWQFZZOYWGQ-INIZCTEOSA-N 352.463 4.420 0 1 FIAF Cc1ccc2c(c1)CCCN2[C@H](C)[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962917604 ZYIHDFSMNPWPAI-UZUQRXQVSA-N 366.553 4.054 0 1 FIAF COc1cccc2cc3c(nc12)[C@](Cc1ccccc1F)(C1CC1)NCC3 963050728 CUQHMPHFKKOVAV-QHCPKHFHSA-N 362.448 4.376 0 1 FIAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1cc2ccncc2o1 962720531 UMYPPKLLIPFZEI-XOBRGWDASA-N 354.450 4.420 0 1 FIAF COc1ccc2c(c1)[C@@](C)([C@H](N=O)C(=O)c1ccccc1)N(C(C)C)CC2 962094753 XDKYDBHGQYREIY-YADHBBJMSA-N 366.461 4.195 0 1 FIAF C[C@@]1(CC(=O)c2cccnc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962713631 RLNMNCZKWNCYOW-HRAATJIYSA-N 370.493 4.073 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cccc(-c2ccccn2)c1 963604944 GCPJDZARCHSGNE-IQMFZBJNSA-N 360.457 4.389 0 1 FIAF COc1cc2c(cc1O)CC[C@@]21NCCc2cc(-c3ccccc3)ccc21 962666719 LIUZHGUZMYPEIM-DEOSSOPVSA-N 357.453 4.403 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961618185 XTEBMTIJPVPTMJ-KXBFYZLASA-N 362.311 4.492 0 1 FIAF Oc1ccc(Br)cc1-c1nnc(-c2cc3ccccc3[nH]2)o1 1772577840 ZPFPVWNPMRXEKL-UHFFFAOYSA-N 356.179 4.353 0 1 FIAF O=c1cc(C(F)(F)F)c2cc(N(CC3CC3)CC(F)(F)F)ccc2[nH]1 12349523 ZJMWICPIMHPHHW-UHFFFAOYSA-N 364.289 4.326 0 1 FIAF O=C(O)Cc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)c(F)c1 13679800 DXGWDHUXZJQMIN-UHFFFAOYSA-N 350.345 4.476 0 1 FIAF in-vivo COc1cc([C@@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O 14641882 KBIHHHDCLJQNHG-ITQSLMPISA-N 374.433 4.208 0 1 FIAF endogenous,in-man CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2ncccc2c1 202122952 GXICKBKQHWLVKZ-UHFFFAOYSA-N 372.428 4.388 0 1 FIAF CCCOc1ccc(-c2cn(CCCN(C)C)c3ccccc3c2=O)cc1 1857630868 SFXJAIUUSXVCSH-UHFFFAOYSA-N 364.489 4.409 0 1 FIAF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1CC(C)(C)O 1857764569 KIKDFSBCBJICCP-UHFFFAOYSA-N 370.537 4.190 0 1 FIAF O=C(Nc1cccc(C(=O)Nc2ccc3n[nH]cc3c2)c1)c1cccc(F)c1 1857757761 LMMCPAYVOFNONR-UHFFFAOYSA-N 374.375 4.207 0 1 FIAF COc1cc2cc(-c3ccc(OC(C)C)c(OC)c3)[n+](C)cc2cc1OC 1591223 BWISIMXNLRBSJG-UHFFFAOYSA-N 368.453 4.144 0 1 FIAF CCN(CC)[C@@H]1Oc2cc3c(cc2[C@H](c2ccc(OC)cc2)[C@H]1C)OCO3 1642701 WWDZZJZRKOMCFQ-YKAGIRRDSA-N 369.461 4.252 0 1 FIAF O=C(NCc1ccccn1)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4885267 FDHKNRIMILCCCE-UHFFFAOYSA-N 351.837 4.092 0 1 FIAF Cn1nc(-c2ccccc2Cl)c2ccc(OCC(=O)O)c(Cl)c21 28759257 RSLMJEDOBFCUJH-UHFFFAOYSA-N 351.189 4.011 0 1 FIAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(OC)cc3C)c(C)nn12 28360457 FEIWMMZJVZFCOX-UHFFFAOYSA-N 367.497 4.352 0 1 FIAF C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@@H](C)O3 29133637 MFKHKUNCZMBSOF-CBHWHFHUSA-N 352.386 4.059 0 1 FIAF Cc1cc(Cl)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1 27525516 WTCYJRKFQRGZLJ-UHFFFAOYSA-N 361.825 4.072 0 1 FIAF O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1Cc2c(-c3ccco3)ccnc2O1 61897812 JDKJKCFXKDSLQJ-INIZCTEOSA-N 374.318 4.303 0 3 FIAF O=C(c1cc2cc(C(F)(F)F)ccc2o1)N1CCC[C@H]1CN1CCCC1 36188022 BRBWJRMSGBCHFP-HNNXBMFYSA-N 366.383 4.152 0 1 FIAF CCC[C@H](C)COC(=O)c1cc(CO)cc(C(=O)OC[C@@H](C)CCC)c1 40893131 WZXXTYNDXLUJEZ-HOTGVXAUSA-N 364.482 4.365 0 1 FIAF Cc1cc(Cl)cc(Cl)c1CC(=O)N[C@@H]1COc2nc(Cl)ccc21 146655281 NRXFIFZOVLFHGU-CYBMUJFWSA-N 371.651 4.143 0 1 FIAF Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1 95552077 VLFQGVRGNGPZNM-AWEZNQCLSA-N 366.387 4.365 0 1 FIAF CC(C)c1ccc([C@@H]2CC(COc3ccc(F)c(C(N)=O)c3F)=NO2)cc1 2382242728 JNMHPHWRNNMGPJ-KRWDZBQOSA-N 374.387 4.084 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3ccc(Br)nc3[nH]1)CC2 587937771 NNCQSLDWYDFCTB-LLVKDONJSA-N 358.239 4.002 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Cl)ccnc2[nH]1)C(C)(C)C 587205360 QDQIJNXTSBCUES-NSHDSACASA-N 352.866 4.093 0 1 FIAF CC(C)(SCC(=O)O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586960961 YOEAXLIHYZTIDH-UHFFFAOYSA-N 352.765 4.288 0 1 FIAF Cc1ccc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2c1 587771191 BPDUYMLLWXOAOM-BBATYDOGSA-N 374.257 4.168 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(N)cccc2F)N1 587722942 UQJAOVNFXXAGGC-XLFHBGCDSA-N 367.237 4.107 0 1 FIAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(Cl)nc2[nH]1)c1ccccc1 587221336 WHMBYZZPPXPFFV-KRWDZBQOSA-N 362.820 4.131 0 1 FIAF CSc1cccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)c1 587655277 ZJJYOJBGBKAHAY-UHFFFAOYSA-N 361.879 4.017 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCCC3)c(N)c1)O2 587398453 HKOUZNJCTCAMFU-JOCHJYFZSA-N 365.477 4.030 0 1 FIAF O=C(O)/C(=C/c1ccccc1O)c1nc(-c2cc(F)ccc2F)cs1 587921625 LNHMJEVOJRBWMI-NTUHNPAUSA-N 359.353 4.419 0 1 FIAF COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 587047745 BLLDVENVURAZFQ-NXEZZACHSA-N 362.216 4.322 0 1 FIAF CNc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587741432 HBXCZUYOPOBCGF-BBATYDOGSA-N 363.274 4.428 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCc4c1[nH]c1ccc(Cl)cc41)[C@@H](C2)C3=O 587424200 XQZZYOAGVVGUAJ-YCRPNKLZSA-N 365.816 4.419 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccc(Cl)cc3)nc1)O2 587380851 XKNHGRWHVSTOSK-GOSISDBHSA-N 365.820 4.394 0 1 FIAF Cc1c(-c2nc3c(F)cc(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905693 YVVSGEFSFQVKGG-NSHDSACASA-N 365.202 4.403 0 1 FIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587820534 DPCBKEOTLJQHGT-QGHHPUGFSA-N 350.231 4.226 0 1 FIAF COc1ccc(-c2ccc(-c3nc4cc(F)cnc4[nH]3)c(O)c2)cc1OC 587927538 QLTYOLYZTVOUPZ-UHFFFAOYSA-N 365.364 4.154 0 1 FIAF Cc1cc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c(C)n1 586998470 KRMBFZBYCLDHLT-ONEGZZNKSA-N 372.222 4.236 0 1 FIAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)ccc1OCc1ccccc1 587944606 HGIXRRDEHYWVIG-KRWDZBQOSA-N 374.343 4.395 0 1 FIAF CCC[C@@H](C)[C@]1(CC)NCC2(CCOCC2)c2cc(OC)c(OC)cc21 963196366 WUGMNQJVIUEQJX-ZHRRBRCNSA-N 361.526 4.397 0 1 FIAF O=C(O)c1cccc2c1CCN[C@]2(c1ccc(F)cc1)c1ccsc1 963118534 CSMVNXYWPSGGOG-HXUWFJFHSA-N 353.418 4.023 0 1 FIAF CC(=O)c1cc2c(N)c(C(=O)Nc3ccccc3Cl)sc2nc1C 1772573353 AWQQQWFGUWYEAS-UHFFFAOYSA-N 359.838 4.295 0 1 FIAF CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccccc2F)C1 12027556 UPXKRJSRKTYZHJ-GOSISDBHSA-N 360.860 4.216 0 3 FIAF COc1ccc2c(c1)[C@@H](O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2 169346076 VJVSSKLYZXAWSB-JOCHJYFZSA-N 373.452 4.153 0 1 FIAF COc1cc(OC)c(OC)cc1/C=C/COC(=O)/C=C/c1cccc(F)c1 1857543948 VLYIJRAJJQGXNH-GLVZAGOZSA-N 372.392 4.121 0 1 FIAF O=C1Cc2c([nH]c3ccc(C(F)(F)F)cc23)-c2cc(/C=C/CO)ccc2N1 221350601 XGUTUGSQBUFVBT-OWOJBTEDSA-N 372.346 4.354 0 1 FIAF COc1cc(NCCC[C@H](C)N)c2cc(Br)ccc2c1OC 27560189 PJHSSJWAKCTGRG-NSHDSACASA-N 367.287 4.159 0 1 FIAF CN(C)c1ccc(-c2cc3ncccc3c(NCc3cccnc3)n2)cc1 29215206 LVNVVXZYJCSUOM-UHFFFAOYSA-N 355.445 4.370 0 1 FIAF Nc1ncnc2c1N=C1c3ccccc3CC[C@H]1[C@@H](c1ccc(F)cc1)N2 53242827 IPFCUCSXQMBYRG-DLBZAZTESA-N 359.408 4.048 0 1 FIAF COc1ccc2nc(C[C@@H](c3ccccc3)N3CCCCC3)nc(O)c2c1 29463956 SMDWFHVIHBWRKN-FQEVSTJZSA-N 363.461 4.114 0 1 FIAF O=[S@](CCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1 28338656 ZNUGMJXPFXMIRR-VWLOTQADSA-N 355.463 4.042 0 1 FIAF C[C@H]1C[C@](C)(C(=O)c2ccc3c(c2)OCO3)C=C1c1ccc2c(c1)OCO2 72138223 IOSAAFIPMQXNTE-XMHCIUCPSA-N 364.397 4.456 0 1 FIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@@H](O)CN1C(=O)C1CCC1 72175631 SSFZWHHWBFSYKR-XLIONFOSSA-N 370.880 4.145 0 1 FIAF COc1ccc(OC)c(CCNc2cc(Oc3cccc(F)c3)ncn2)c1 82067636 MEDIUDODPFDTGF-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF O=C1NCCc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 40412257 JACXDKREAMALNZ-UHFFFAOYSA-N 358.228 4.132 0 1 FIAF CCCC[C@@H](CC)CNC(=O)CNc1nc(-c2ccc(O)cc2)cs1 82193755 BXMLWOZSKWEWLU-CQSZACIVSA-N 361.511 4.260 0 1 FIAF C[C@H]1CCCC(=O)CCC/C=C/c2c(Cl)c(O)cc(O)c2C(=O)O1 148806349 PEPLUYBVIHVHST-VKJYCEFSSA-N 352.814 4.233 0 1 FIAF CC(C)CNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 143610481 QZDOJQZQXSELTJ-ZDUSSCGKSA-N 359.397 4.425 0 1 FIAF CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]2C(=O)O 250528145 QPQWEZDEJJESTO-VDERGJSUSA-N 367.367 4.337 0 1 FIAF COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3cc(Cl)ccc23)cn1 653786553 UADSTRULKQEUME-UHFFFAOYSA-N 371.824 4.101 0 1 FIAF COc1ccc(Cl)c(-c2ccc(-c3nc4c(O)ncnc4[nH]3)cc2F)c1 587142816 FSZZMGOATAGXJJ-UHFFFAOYSA-N 370.771 4.194 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(F)c1O 587557858 PHOSFWDBQPQUSD-YWZLYKJASA-N 370.307 4.079 0 1 FIAF CC[C@]1(c2cccc(N)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748355 WMABMEUJYWZHHQ-BBATYDOGSA-N 363.274 4.358 0 1 FIAF CC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587813826 DYZXUHINUBZZPG-MGNBDDOMSA-N 362.242 4.414 0 1 FIAF CCOC(=O)c1ccc2[nH]c(-c3nc4ccc(OC)cc4s3)nc2c1 587035912 XBLJVGHTSFUMNU-UHFFFAOYSA-N 353.403 4.025 0 1 FIAF FC(F)(F)c1ncc2nc(-c3cc(-n4cccc4)ccc3Cl)nc-2[nH]1 587048923 CZKAYIDOJNLPOC-UHFFFAOYSA-N 363.730 4.434 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ncc1F 587571233 PSDJBPROZZYUIH-VQIMIIECSA-N 371.751 4.283 0 1 FIAF Fc1ccc(-c2cnn(Cc3nc4cc(C(F)(F)F)cnc4[nH]3)c2)cc1 587165323 QJSZFINGUKMEKO-UHFFFAOYSA-N 361.302 4.028 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1cc(F)ccc1F)O2 587380665 BJKKGKDHAHZOQW-OAQYLSRUSA-N 366.367 4.159 0 1 FIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cnc4ccccc4c3[nH]2)C(F)(F)C1 587132108 KBWJFLDQIPJWPS-GFCCVEGCSA-N 374.391 4.081 0 1 FIAF CC(C)[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589474 WXJGSAJCZDBRII-UGKGYDQZSA-N 361.397 4.300 0 1 FIAF Fc1cc2c(c(Cc3nc4cccc(C(F)(F)F)c4[nH]3)c1)OCOC2 587172157 XUHJWYQPFBMVOL-UHFFFAOYSA-N 352.287 4.178 0 1 FIAF Fc1ncc(Br)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587177974 JWCWDWCNXALWQT-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF O=C(CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3)c1ccc(F)cc1 13443396 VFYQZTSTHAKQER-NHCUHLMSSA-N 364.464 4.023 0 1 FIAF CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(OC)cn12 13765518 RDSHDGJWOXSNCG-UHFFFAOYSA-N 365.477 4.201 0 1 FIAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cccs1 169302699 OSZKBAINWHIPLR-CQSZACIVSA-N 359.401 4.019 0 3 FIAF CSc1nn(-c2ccccc2)c2cc(C(=O)CC3CCNCC3)ccc12 169706049 NXLDTCNKJZYHLD-UHFFFAOYSA-N 365.502 4.320 0 1 FIAF CCN(CC)CCOc1ccc(-c2[nH]c3cccc(F)c3c(=O)c2C)cc1 1857572418 NUAYZWLCYDNKTQ-UHFFFAOYSA-N 368.452 4.363 0 1 FIAF CN1C(=O)C[N@@]2C(Cl)(Cl)[C@]2(c2ccccc2)c2cc(Cl)ccc21 1857623608 MBDAGNNYSNKUSM-KSFYIVLOSA-N 367.663 4.007 0 1 FIAF CS(=O)(=O)c1ccc(-c2cc3c(cc2CC2CCCC2)OCO3)cc1 13530411 IHWCLOAIFKWMLX-UHFFFAOYSA-N 358.459 4.219 0 1 FIAF C=Cc1cc(O)c(Br)c2nc(-c3ccc(O)c(F)c3)oc12 13583734 OWJBLZLBZZVCHZ-UHFFFAOYSA-N 350.143 4.451 0 1 FIAF OC[C@@H]1[C@@H](c2ccc(F)cc2)C(c2ccc(F)cc2)=NN1c1ccccc1 13813653 UEMBFYWRIVQGDO-NHCUHLMSSA-N 364.395 4.334 0 1 FIAF aggregator C[C@@H](OC(=O)c1ccccc1)c1cccc2nc3c(C(=O)O)cccc3nc12 14451325 DLOHWETTWQPEJA-CYBMUJFWSA-N 372.380 4.399 0 1 FIAF biogenic COc1c(OCC=C(C)C)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O 14807164 RDYDGPWHUHFVIP-QGZVFWFLSA-N 354.402 4.452 0 1 FIAF biogenic O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccccc1Cl 26746947 GZQSWSWOHRVDEP-UHFFFAOYSA-N 356.897 4.025 0 1 FIAF Cc1cc(C)c2oc(Nc3ccc(-c4noc5ncnc(N)c45)cc3)nc2c1 40567821 UARGIXLYHSRXJJ-UHFFFAOYSA-N 372.388 4.369 0 1 FIAF COc1ccc(C(=O)N2CC[C@H](c3c[nH]c4ccc(OC)cc34)C2)c(C)c1 84687275 WPGBUFDYSIUTPI-HNNXBMFYSA-N 364.445 4.123 0 1 FIAF CCOC(=O)[C@H](C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)OC(C)(C)C 95557342 VLLHCVWYRFYJLE-ACJLOTCBSA-N 372.465 4.201 0 1 FIAF O=C(NCc1ccccc1C(F)(F)F)Nc1ccc2nnsc2c1 95583554 UMOIELMKDITGRN-UHFFFAOYSA-N 352.341 4.032 0 1 FIAF CN(C)CCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12 96933175 FBPWXSPGBYYSAT-UHFFFAOYSA-N 366.852 4.143 0 1 FIAF COc1ccc(C[C@H]2COc3ccccc3CN2C(=O)OC(C)(C)C)cc1 103241344 LGAPGHDCHMVJRS-SFHVURJKSA-N 369.461 4.436 0 1 FIAF c1ccc(Nc2ccc(Oc3nccnc3NCc3cccnc3)cc2)nc1 148034434 MRDJHMRIXGLWCX-UHFFFAOYSA-N 370.416 4.415 0 1 FIAF C[C@@]12C=CC[C@H]1[C@@H]1CC[C@@H]3C[C@H](OS(=O)(=O)O)CC[C@]3(C)[C@H]1CC2 206344192 FHMBGAXGVUGLIR-DLEIETQISA-N 354.512 4.383 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C[C@H]2CC[C@H]1N2C 253863710 IHKXUTSLFDCINU-NMIHRBCNSA-N 365.473 4.102 0 1 FIAF O=S(=O)(/C=C/c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1 586924473 QNZUAZRTDBFASB-CMDGGOBGSA-N 352.337 4.026 0 1 FIAF Cc1ccc(-n2cnnc2SCc2nc3c(C)nccc3[nH]2)cc1Cl 586968064 KTGOOAFYVRTKQK-UHFFFAOYSA-N 370.869 4.101 0 1 FIAF CCOC(=O)Cc1ccc2nc(-c3sc([C@@H](C)OCC)nc3C)[nH]c2c1 587015159 YZALNXOUBKRGLL-GFCCVEGCSA-N 373.478 4.198 0 1 FIAF N=c1[nH]c(-c2cccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)cs1 587021561 NPCRIGVWWYJHQS-UHFFFAOYSA-N 364.327 4.322 0 1 FIAF CCOC(=O)Cc1ccc2nc(COc3ccc(Cl)c(CC)c3)[nH]c2c1 587052840 PEMVOJBEAVRVFE-UHFFFAOYSA-N 372.852 4.463 0 1 FIAF CCc1cc(OCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)ccc1Cl 587053016 YQOKGPNOWALXFJ-UHFFFAOYSA-N 357.841 4.060 0 1 FIAF CC(=O)N[C@H](Cc1nc2cccc(Br)c2[nH]1)c1ccc(C)cc1 587205510 BKJVHMQEAFNDCE-MRXNPFEDSA-N 372.266 4.054 0 1 FIAF O=C(O)c1cnc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)s1 587207572 GTQNBZBPKOUHIW-UHFFFAOYSA-N 358.378 4.268 0 1 FIAF CC(C)(C)C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350989 IUJRGOKPEHDISX-UWJYYQICSA-N 372.392 4.150 0 1 FIAF Cn1nc(C(F)(F)F)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587508739 QHCMUFGBIZQGPK-SFHVURJKSA-N 364.367 4.198 0 1 FIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521685 DYCINNJROCMCAA-SDYXESRWSA-N 356.462 4.269 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(O)c1 587540940 CIPJJJZYUJEDJH-XLIONFOSSA-N 368.772 4.454 0 1 FIAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1N 587581570 WIGZTQOLHWETGP-DENIHFKCSA-N 361.397 4.160 0 1 FIAF CC(=O)c1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600733 CBHRJHJDNWJAIV-OFNKIYASSA-N 374.392 4.472 0 1 FIAF CCCN1C(=O)[C@](O)(c2c(C)[nH]c3cc(Cl)c(F)cc23)c2ccccc21 587632182 RSBXXIRHEGQUPT-HXUWFJFHSA-N 372.827 4.261 0 1 FIAF O=C(O)CCC(=O)Nc1c(-c2ccc(F)cc2F)[nH]c2cc(F)ccc12 587634846 UHVWZRZQPAHLPS-UHFFFAOYSA-N 362.307 4.056 0 1 FIAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587774221 UFTGHBWYMPNEDN-BTDLBPIBSA-N 365.246 4.006 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccccc3n2)N1 587779658 VHKSWRRYEGJRGW-XTZNXHDOSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2C=O)N1 587816182 VAWTWAIHUIRBKO-ZMZPIMSZSA-N 362.242 4.198 0 1 FIAF O=C1COc2cc3[nH]c(Cc4cccc(-c5ccccc5)c4)nc3cc2N1 587961170 KEUXUSICNIAVGN-UHFFFAOYSA-N 355.397 4.152 0 1 FIAF Cc1c(F)ccc2c1[C@@](C)(Cc1c(F)c(F)c(F)c(F)c1F)NCC2 962144380 KILQSQIHJXRGIJ-GOSISDBHSA-N 359.313 4.433 0 1 FIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](Cc2cccs2)(c2cccs2)N1 962901664 KDGLDPYZMAKJNL-KXBFYZLASA-N 373.474 4.034 0 1 FIAF CC(C)[C@@]1(C(C)(C)CCc2ccccn2)NCCc2nc3ccccn3c21 962991195 UJQPGJIYBQOTAA-HSZRJFAPSA-N 362.521 4.385 0 1 FIAF CN(C)C1CCN(Cc2c(-c3ccccc3)[nH]c3ccnc(Cl)c23)CC1 1772648565 DKDZOFMQUUJPIO-UHFFFAOYSA-N 368.912 4.409 0 1 FIAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@H](N(C)C)C2 1857578482 RAWCFFYNCXIPFN-LBPRGKRZSA-N 371.531 4.402 0 1 FIAF CCN(CC)c1ccc(NC(=O)c2cn(C)cc2-c2cc(C)on2)cc1 1857594877 AAMRPNJBKOOAJO-UHFFFAOYSA-N 352.438 4.087 0 1 FIAF Cc1nc(C)c(COc2ccc(COc3ccc(C=O)cc3)cc2)nc1C 1857635320 LGPUOCOCGCZWOJ-UHFFFAOYSA-N 362.429 4.372 0 1 FIAF COc1ccc([C@H](C)N2CCC(n3c(O)nc4ccccc43)CC2)cc1 1857638971 MFGRGRRQSYVIFL-HNNXBMFYSA-N 351.450 4.149 0 1 FIAF Cc1cccc(C2=NN(C(=O)CC3CCCCC3)[C@](O)(C(F)(F)F)C2)c1 1857752512 SPOYQRMSOBKQLL-GOSISDBHSA-N 368.399 4.153 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2C(=O)OC[C@@H]2[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 2356393943 YMZURUWUXXNPKP-UBPCEGBCSA-N 362.510 4.360 0 1 FIAF CCOC(=O)N(C[C@@H]1CCCN1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1 2382219660 YVOFLKTZUCOJLS-ZDUSSCGKSA-N 374.378 4.044 0 1 FIAF O=C(Nc1ccccc1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1 2382257769 CDAFWJPRFQECFL-UHFFFAOYSA-N 352.825 4.320 0 1 FIAF O=c1cc(-c2ccccc2)nc2cc(-c3ccc(Br)cc3)[nH]n12 103846270 UZFTYOAKKTZOQO-UHFFFAOYSA-N 366.218 4.119 0 3 FIAF CC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2ccc(F)cc2)c1C 201486821 FBIMEWSOIRLEOS-UHFFFAOYSA-N 364.420 4.122 0 3 FIAF Cc1ccc(C)n1[C@H]1C(=O)N(Cc2ccc(Cl)nc2)c2c(F)cccc21 206029079 HNAFQGIUJGDWAW-LJQANCHMSA-N 369.827 4.429 0 3 FIAF COc1c(C(C)C)cc2c(c1OC)[C@@]1(C(O)O)CCCC(C)(C)[C@@H]1CC2 2356356957 FKPCESAYUWEVSC-KSFYIVLOSA-N 362.510 4.148 0 1 FIAF c1ccc2c(c1)O[C@@H](N1CCCCC1)c1cnc(N3CCCCC3)nc1-2 29207064 SXOSCHBMYCQFMR-HXUWFJFHSA-N 350.466 4.011 0 1 FIAF Fc1ccc([C@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3)O2)cc1 28768165 KHBVWCGCBHAJJZ-MOPGFXCFSA-N 358.800 4.317 0 1 FIAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(C)[C@@H](C4)[C@@H]13 29406841 BKKGVUYVPORNKS-WQHDVQNISA-N 372.468 4.239 0 1 FIAF Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2cnccc21 71319382 OPQVLALJVICCEZ-UHFFFAOYSA-N 374.410 4.367 0 1 FIAF CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(Cl)cccc32)CC1 36473766 SFRCYIYJFYOGHI-UHFFFAOYSA-N 362.260 4.425 0 1 FIAF FC(F)(F)Oc1ccc([C@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 49055420 FBDXSHRSQKPJSV-CVEARBPZSA-N 370.334 4.447 0 1 FIAF O=C1NC(=O)/C(=C/c2ccc(OCCCCc3ccccc3)cc2)S1 139429547 VXRMNKVMGUQRNU-JXAWBTAJSA-N 353.443 4.412 0 1 FIAF O=C1C[C@@H]2c3ccccc3O[C@@H]3c4cc(O)ccc4-c4c(O)cc(O)c1c4[C@@H]23 14617088 DBGJQYIYUBGFLT-ZGIXAACCSA-N 372.376 4.371 0 1 FIAF biogenic CC(=O)O[C@H]1C[C@@H]2[C@H](C[C@H]3OC(=O)C=C3[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@H]12 40861058 AXXGVIAGQXWYPN-DMWQAZAYSA-N 360.494 4.278 0 1 FIAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 82141878 GZYIUJVKAYRQAL-RDJZCZTQSA-N 368.481 4.035 0 1 FIAF Cc1ccc(-c2nc(CCCCC3COC(C)(C(=O)O)OC3)c(C)o2)cc1 49599755 IMYPSTHZBIWMNA-UHFFFAOYSA-N 373.449 4.135 0 1 FIAF in-vitro CC1(C)C[C@]2(CN(Cc3ccccc3)C(=S)CO2)c2ccccc2O1 45300708 FYLMGHOFLHYBNK-NRFANRHFSA-N 353.487 4.303 0 1 FIAF CC(C)N1CCCC[C@@H]1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 49068030 PQFMYQNBODJBRE-LJQANCHMSA-N 362.477 4.264 0 1 FIAF CCCNC(=O)[C@H]1c2ccccc2C(=O)N1C[C@H](C)c1ccc(Cl)cc1 143965666 ORTPWEWMSRZRJZ-IFXJQAMLSA-N 370.880 4.167 0 1 FIAF CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2ccc(Cl)cc2)C1 96917478 PHOKUBYPKPZFED-UHFFFAOYSA-N 360.889 4.292 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(Cc1nc4ccccc4s1)[C@@H](C2)C3=O 587453698 RYFFFWSMEPXJSX-RNODOKPDSA-N 351.427 4.054 0 1 FIAF Cc1nc(COc2cccc(-c3nc4ccc(C(=O)O)cc4[nH]3)c2)cs1 587020847 YZFIJPNZSDMAGQ-UHFFFAOYSA-N 365.414 4.272 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(F)c2)N1 587728801 FVLCRMUTBANIGU-BCTVWOGZSA-N 356.185 4.490 0 1 FIAF COc1ccsc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587844090 MBGSXOMJKWFYFA-CLAHSXSESA-N 356.260 4.282 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCCc1c[nH]cc12 587586689 CTKNBMSXHFLCEA-DENIHFKCSA-N 361.397 4.304 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587423342 XHIZYRVRGCCJKM-SGTLLEGYSA-N 364.319 4.211 0 1 FIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(F)cc(Br)c4[nH]1)(C3)C2 587969622 RGUGFXKBQBZYEM-JIIRDLKHSA-N 363.230 4.111 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2c1OC 587032869 CBSZKCZHPIDVSA-SNVBAGLBSA-N 356.447 4.211 0 1 FIAF C=C(C(=O)O)c1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O 587945333 MDUIPYHTQGILPA-UHFFFAOYSA-N 373.311 4.057 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cccc(O)c12 587586726 DDWRIFCJXFHRJM-KNQAVFIVSA-N 373.364 4.282 0 1 FIAF Cc1cc2ncc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)n2n1 587521157 AJLVAOZPLGEUSB-JOCHJYFZSA-N 361.445 4.106 0 1 FIAF COc1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2n1 587065700 VSIFNDFLURDOQL-UHFFFAOYSA-N 353.813 4.089 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cccc1Cl 587540598 BBYIFONDETYWNO-PXNSSMCTSA-N 368.772 4.454 0 1 FIAF Cc1cnc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc2c1 587033850 JLYKRYCBVLWBSO-UHFFFAOYSA-N 370.478 4.288 0 1 FIAF Cc1ccc([C@@]2(c3ccsc3N)CC(=O)c3cc(C)cc(N)c3O2)cc1 587411824 WLBKHOOZLBFCRP-OAQYLSRUSA-N 364.470 4.438 0 1 FIAF CC(C)Oc1ccc(CC[C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963023931 JCJYXWNAZRKXDQ-YLJYHZDGSA-N 364.489 4.201 0 1 FIAF COc1ccc2c(c1)[C@H](c1nc(C)sc1Br)N[C@@H]1CC[C@@H]21 962998763 VUGCIFNEWICWCY-IACUBPJLSA-N 365.296 4.161 0 1 FIAF CCOc1ccccc1N1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 5845534 CMLVKFNDIGZGKC-UHFFFAOYSA-N 354.494 4.033 0 1 FIAF NCc1nc2cc(NCc3ccccc3OCc3ccccc3)ccc2[nH]1 13445533 DELQFJJGDSPFBM-UHFFFAOYSA-N 358.445 4.213 0 1 FIAF O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccccc1 13648553 XXLPQPDHXVTHMM-SMIHKQSGSA-N 373.496 4.127 0 1 FIAF COc1ccc(CCCCNCCOc2cc(C)cc3c2OCCC3)cc1 13761776 YEXMXGRLJXAVKY-UHFFFAOYSA-N 369.505 4.320 0 1 FIAF O=N[C@H]1CCc2cc(-c3[nH]c(C4CCNCC4)nc3-c3ccncc3)ccc21 169686165 YPUCRGLYZSAWRC-IBGZPJMESA-N 373.460 4.359 0 1 FIAF O=C(Nc1nc2cc(-c3cccs3)ccn2n1)c1cccc(Cl)c1 1857552113 DWDRTMRRPUJUJI-UHFFFAOYSA-N 354.822 4.364 0 1 FIAF O=C(NC1CC1)c1cc(Oc2ccc(/C=C/c3ccncc3)cc2)ccn1 1857656979 IXNDASCLFKQIMN-OWOJBTEDSA-N 357.413 4.332 0 1 FIAF O=C(Nc1nc(CO)cs1)c1ccc(CNc2ccccc2Cl)cc1 1857765361 UUIMYJNHPXLQCJ-UHFFFAOYSA-N 373.865 4.153 0 1 FIAF CCN(C(=O)c1cc(C)cc(OC[C@H](C)Nc2ccncc2)c1)C(C)C 602556 JMPSZYHYDMQFEO-KRWDZBQOSA-N 355.482 4.140 0 1 FIAF in-vivo C[C@@H](NC(=O)[C@]1(C)CON=C1c1ccc(Cl)cc1)c1ccc(F)cc1 768756 ANMJFWKBHAFJRW-CWTRNNRKSA-N 360.816 4.097 0 1 FIAF O=c1c2ccccc2nc(-c2ccccc2)n1-c1nnc(-c2ccccc2)o1 103204755 GZDMQUQFPWOZMS-UHFFFAOYSA-N 366.380 4.103 0 1 FIAF CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccccc3n2C)C[C@@H]1C(C)C 2356732604 KBDAJXZXXKTACM-GBESFXJTSA-N 353.510 4.107 0 1 FIAF O=C1CSC(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(F)cc2)=N1 73315059 QPWGGZYRDAMYQG-MRXNPFEDSA-N 373.840 4.260 0 1 FIAF CC(=O)Nc1cccc(Oc2cc(NCc3ccccc3Cl)ncn2)c1 82068285 FXBDBLAYCFZGMZ-UHFFFAOYSA-N 368.824 4.493 0 1 FIAF CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1F 473101558 JXKBVRAQQHCEKM-UHFFFAOYSA-N 354.385 4.178 0 1 FIAF COc1ccc(/C=C\Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c(OC)c1 587929359 NZCBDJSCVBZAGR-ARJAWSKDSA-N 363.339 4.250 0 1 FIAF COC(=O)c1cc2nc([C@@](C)(O)C(C)C)[nH]c2c(F)c1Nc1ccccc1 586887386 IAIOYXQKOPZNPJ-FQEVSTJZSA-N 371.412 4.096 0 1 FIAF CC(C)(C)c1[nH]cnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586722 DDMRESRYMYGIIM-DNVCBOLYSA-N 364.401 4.116 0 1 FIAF CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587399969 OGOFVVZLLWJSPK-ZDPZECHZSA-N 373.493 4.451 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccc(Cl)s1)O2 587411268 RZHNDZDJUFVEKV-MJRGOJFPSA-N 362.882 4.228 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(Cl)n1 587655355 DAZMTWIJNNWPQW-UHFFFAOYSA-N 369.758 4.379 0 1 FIAF Fc1cnc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 587123601 SAFAYSQKUOULNL-UHFFFAOYSA-N 357.332 4.429 0 1 FIAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c[nH]c(=N)[nH]c-2n1 587069607 DRCUHZPTYVPAEK-CEDDKSNKSA-N 374.275 4.390 0 1 FIAF O=Cc1ccc(OCc2occc2-c2nc3cc(F)c(F)cc3[nH]2)cc1 586900929 OJTPQLUEFFGPMV-UHFFFAOYSA-N 354.312 4.493 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2ncccc12 587585928 IQJSKUYWUQDTFF-NQIIRXRSSA-N 370.364 4.038 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]2OC2CCC2)N1 587814024 XNTWCMDTWTXTDL-LGFNAOKASA-N 354.263 4.049 0 1 FIAF Cc1c(F)ccc2c1[C@@H](c1cccn1Cc1cnc(Cl)s1)NCC2 962144379 KHBFTYVCKMSMPE-QGZVFWFLSA-N 361.873 4.329 0 1 FIAF O=C1OC[C@H](Cc2ccccc2)[C@H]1Cc1ccc(OC(F)(F)F)cc1 1772656487 DAEMHGIKCVEPRB-DOTOQJQBSA-N 350.336 4.160 0 1 FIAF COC(=O)c1c(C)cccc1[C@H]1CN=N[C@@]12Cc1cc(C)cc(C)c1C2=O 5539765 XRYCDSHAJGVWQP-VGSWGCGISA-N 362.429 4.126 0 1 FIAF O[C@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccccc1 13648538 XXLPQPDHXVTHMM-KMDXXIMOSA-N 373.496 4.127 0 1 FIAF CSC1=NC(=S)N(Cc2ccccc2)CCN1Cc1ccccc1 13652020 AYZGHXFORZFGJC-UHFFFAOYSA-N 355.532 4.008 0 1 FIAF Cc1cc(C)c2c(N)c([S@](=O)Cc3ccc(Cl)cc3)sc2n1 4123216 WJJPYVKXMNPBTF-QFIPXVFZSA-N 350.896 4.457 0 1 FIAF CCN(CC)CCOCCOC(=O)C1(c2ccc(Cl)cc2)CCCC1 13737817 NSHSCDMDDQNBOD-UHFFFAOYSA-N 367.917 4.053 0 1 FIAF CNCCCCN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 13743900 JQYPCXSMFIVWTI-LJQANCHMSA-N 358.913 4.035 0 1 FIAF COc1ccc2c(c1)CCc1c(Cc3ccc(O)cc3)c(O)cc(OC)c1-2 14444100 SZJDORGDYSBBEW-UHFFFAOYSA-N 362.425 4.471 0 1 FIAF biogenic,in-vitro CO[C@@H]1c2c(c3c(c4c(C)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@@H]1C 14930285 NEHHJJDJNPBYJK-JKDFXYPNSA-N 356.418 4.390 0 1 FIAF biogenic O=C(O)[C@H]1Cc2cc3c(-c4ccccc4Cl)noc3c(Cl)c2O1 25975989 XPEVMJIMDYPAAX-LLVKDONJSA-N 350.157 4.190 0 1 FIAF CC[C@H](Oc1cccc2ccccc12)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28100781 DONQHEMPIDPWDX-WMWLNJEOSA-N 353.462 4.166 0 1 FIAF CCOC(=O)/C=C/c1cc(Cl)ccc1OCc1nc(C)c(C)nc1C 73139095 RHHVRYDIPMNLSW-RMKNXTFCSA-N 360.841 4.211 0 1 FIAF FC(F)(F)Oc1cccc(-c2nnc3ccc(-c4cccnc4)cn23)c1 82082870 RTKGYRQKRKSKEJ-UHFFFAOYSA-N 356.307 4.357 0 1 FIAF CC(C)CN(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccco1 82142177 ZIVNDQWJVBCWOU-UHFFFAOYSA-N 364.449 4.077 0 1 FIAF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccco2)oc1C 82165845 LZGYIJDPBQNWFM-STQMWFEESA-N 352.438 4.491 0 1 FIAF Fc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1 95598061 ZIULDAJSKKQFQN-UHFFFAOYSA-N 370.453 4.415 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@H](O)[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C 100781054 COFSRJDBTTZNBZ-NMFYTZMJSA-N 364.526 4.015 0 1 FIAF endogenous,in-man COc1ccc(CCc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 100867585 VDILSYICPOZNCQ-UHFFFAOYSA-N 350.466 4.002 0 1 FIAF Cc1ccc(C(C)(C)O)cc1-c1nnc2c(C)nc3ccc(C4CC4)nc3n12 145741571 JPJVFAWCZLFVAJ-UHFFFAOYSA-N 373.460 4.061 0 1 FIAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC1CCCCC1 169304870 PFESKLANBSRNRC-UHFFFAOYSA-N 372.465 4.448 0 1 FIAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CC[C@@H](O)CC/C=C\2 299819374 BYSMYOUCOMWGGJ-IMMZDGJCSA-N 356.418 4.302 0 1 FIAF CC(=O)N1C[C@@]2(CCCN2Cc2ccc(Cl)cc2)Cc2ccccc21 299852752 WZDVBKMCMYFDNZ-OAQYLSRUSA-N 354.881 4.284 0 1 FIAF Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCN2CCCC2)cc1 299855945 BGTMDOBDRKDABQ-UHFFFAOYSA-N 362.477 4.083 0 1 FIAF CCOCc1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)o1 586902158 BAJNONWHCCWPAB-UHFFFAOYSA-N 361.270 4.409 0 1 FIAF COc1ccc(C=O)c2cc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)oc12 586902687 BUJOLRIZVBTMOS-UHFFFAOYSA-N 362.172 4.499 0 1 FIAF Cc1nccc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc12 586961492 VOCYTJYFNGSGON-AREMUKBSSA-N 361.470 4.305 0 1 FIAF O[C@H](c1ccc(Br)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 586997730 RZOYAYYHNAQGSN-QGZVFWFLSA-N 357.251 4.286 0 1 FIAF Cc1ccc(-c2nc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)cs2)o1 587016543 MSIJLLJLFKXDDK-UHFFFAOYSA-N 368.462 4.195 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587084456 MXIZOMKXZHQIAF-UHFFFAOYSA-N 362.216 4.131 0 1 FIAF Cc1ccc(C)c2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 587132719 TVWOYCRKBVUXCB-GFCCVEGCSA-N 351.397 4.149 0 1 FIAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)cnc3[nH]2)c1F 587153166 WPZLVPWVXXAVOD-ZJUUUORDSA-N 350.166 4.270 0 1 FIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(F)cnc2[nH]1 587190972 KCNJVSYIFNHHDC-HNNXBMFYSA-N 356.401 4.053 0 1 FIAF Cc1cc(Br)cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c12 587243750 HUAOCBWPMVVBTI-BQYQJAHWSA-N 356.223 4.286 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(F)c1Br)[C@@H](C2)C3=O 587424407 NWXCXVNEFCHFOC-APPDUMDISA-N 363.182 4.086 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccccn1)[C@@H](C2)C3=O 587435775 KFHUOJWQBAXLBF-FDDCHVKYSA-N 357.409 4.090 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cncn1Cc1ccccc1)CC2=O 587470523 KSFCZCVQTSXBLC-NRFANRHFSA-N 362.429 4.296 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cn(C)nc3c2)N1 587758266 IGFDFGJYTLYFGX-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF CCCn1nc(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587763045 HOPVEOGWWGCZPW-BTDLBPIBSA-N 366.278 4.127 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]2OC2CCC2)N1 587814026 XNTWCMDTWTXTDL-OVWKYPIYSA-N 354.263 4.049 0 1 FIAF CCCC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815569 NTWBSSOPQVAJQS-ZMZPIMSZSA-N 368.290 4.487 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2)N1 587832989 LSMYWHFJTJSDGW-BTDLBPIBSA-N 350.231 4.092 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3ccccc32)N1 587841229 MCXJOFZSHYHNHE-ZMZPIMSZSA-N 360.226 4.272 0 1 FIAF COc1ccc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc2n1 587928539 JAYNTAPNNWPXEF-UHFFFAOYSA-N 361.401 4.318 0 1 FIAF O=C1COc2cc3[nH]c([C@@H](Cc4ccccc4)c4ccccc4)nc3cc2N1 587955226 IOZSFXRRZYUJGI-KRWDZBQOSA-N 369.424 4.268 0 1 FIAF CCOC(=O)c1ccc2nc(CCC(=O)c3ccc(CC)cc3)[nH]c2c1 587956991 OPKMNWMYTHMLEX-UHFFFAOYSA-N 350.418 4.118 0 1 FIAF Cc1c(F)ccc2c1[C@](CC(=O)C(F)(F)F)(c1cccs1)NCC2 962142013 CYABAXPBUOTKHW-INIZCTEOSA-N 357.372 4.106 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC(C)=O)(C(F)(F)C(F)(F)F)N1 962945075 IUAXGMKZIWNQGT-BZNIZROVSA-N 374.353 4.464 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cc3ccc(C=O)[nH]3)[nH]2)N1 962945774 GRARRNCLZKRXJP-PSLXWICFSA-N 372.472 4.241 0 1 FIAF CCOC(=O)[C@]1(c2ccc(CC)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963098353 GMPFJXNQJSODDR-CVDCTZTESA-N 367.464 4.215 0 1 FIAF CCO[C@]1(C)CC[C@@]2(C(C)C)C=C[C@](C)(O)CCC=C(CO)CC[C@H]1O2 2356792429 JSGGKVVSVXAZPO-GXRSIYKFSA-N 366.542 4.155 0 1 FIAF CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1oc2ccccc2c1C 61928931 YQZPLNSFMKFNPA-NRFANRHFSA-N 356.466 4.042 0 3 FIAF c1cc(-c2ccc(CN3CCOCC3)cc2)ccc1CN1CCCCC1 40860099 CLHOFEGUPHQCTG-UHFFFAOYSA-N 350.506 4.172 0 1 FIAF CC(C)OC(=O)N[C@@H](OC(=O)Nc1ccccc1)C(Cl)(Cl)Cl 68586461 AWONYULUCUTRMK-JTQLQIEISA-N 369.632 4.066 0 1 FIAF biogenic Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@H](O)CN1C(=O)C1CCC1 72175629 SSFZWHHWBFSYKR-PXNSSMCTSA-N 370.880 4.145 0 1 FIAF CN(C)Cc1cc(OCCC[18F])ccc1Sc1ccc(F)cc1N 102290954 HFHWEFNEZUUCLY-AWDFDDCISA-N 351.453 4.359 0 1 FIAF C=C1C=C(C(F)F)n2ncc(C(=O)Nc3ccc(N(CC)CC)cc3)c2N1 102882412 YRUSMPLCKKPXOR-UHFFFAOYSA-N 373.407 4.027 0 1 FIAF C1=c2ccccc2=C2ON=C(c3ccccc3)C(c3ccccc3)=C2S1 103198023 CKNPYLWQNAQKCX-UHFFFAOYSA-N 353.446 4.125 0 1 FIAF Cc1ccc(C(=O)Nc2nc(Cl)c3cn(CC(C)(C)C)nc3n2)cc1 103263542 AWUMJKVEYLHXEW-UHFFFAOYSA-N 357.845 4.087 0 1 FIAF COc1c(/C=C/C(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)O 238758083 JFQIIRFVRBOGJG-AATRIKPKSA-N 372.417 4.361 0 1 FIAF COc1c(C)n(OC)c2c(c1=O)[C@@H](CCCCCc1ccccc1)CCC2 299837419 QTWGFCPXTHDILL-IBGZPJMESA-N 369.505 4.447 0 1 FIAF CN(C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 299840244 WIQZEHGJVNSSQI-UHFFFAOYSA-N 353.205 4.306 0 1 FIAF CCS(=O)(=O)c1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2c1 586971315 RHLCVQVSJHMBRK-UHFFFAOYSA-N 374.531 4.141 0 1 FIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Cl)cc2[nH]1 586972618 IZNFMVUTYRWLTL-QGZVFWFLSA-N 359.882 4.327 0 1 FIAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc3ncccc3c2[nH]1 586983356 BEIWPDRJIAIUOY-CQSZACIVSA-N 367.250 4.116 0 1 FIAF O=C(O)c1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587040305 GWWJFCSYJBJUJP-UHFFFAOYSA-N 372.471 4.319 0 1 FIAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c[nH]c(=N)[nH]c-2n1 587069614 DRCUHZPTYVPAEK-PPULMUOOSA-N 374.275 4.390 0 1 FIAF COC(=O)c1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cn1 587083136 IDWQOVKPFGYWHO-UHFFFAOYSA-N 373.199 4.267 0 1 FIAF Fc1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)nc1Br 587155365 KPORTVWAOYYKFF-UHFFFAOYSA-N 362.536 4.458 0 1 FIAF CN(C)CCOc1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587250856 QPWKCWZOFPVVAA-UHFFFAOYSA-N 372.472 4.420 0 1 FIAF CC1(C)C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587358541 WORDCHAMFSCURO-NQIIRXRSSA-N 356.393 4.218 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(Cc3ccccc3Cl)c1)O2 587375914 ATTZKVCEYUBGAB-LJQANCHMSA-N 367.836 4.182 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCC(C)(C)O4)[C@@H](C2)C3=O 587448051 BHJPDLPTNRPWNW-KKSFZXQISA-N 350.414 4.288 0 1 FIAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccn1 587516604 DKSDUHWLOYYVAT-HSZRJFAPSA-N 373.456 4.335 0 1 FIAF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587774220 UFTGHBWYMPNEDN-BMLIUANNSA-N 365.246 4.006 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccccc3n2)N1 587779565 UCQSYOHQWFUDCX-YPMLDQLKSA-N 372.241 4.155 0 1 FIAF CO[C@]1(C)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587809632 IWYFXAYDDMJMSI-LZVXQISVSA-N 356.279 4.153 0 1 FIAF CCOCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587826978 HPSNQVNRVQBXRC-BMLIUANNSA-N 368.246 4.341 0 1 FIAF COc1ccc2cc([C@@H](C)c3nc4cc5c(cc4[nH]3)OCC(=O)N5)ccc2c1 587934250 GPIFJFZHKHUCSQ-GFCCVEGCSA-N 373.412 4.207 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3ccnc(Br)c3[nH]1)CC2 587937301 JXDBQAYHQAEAIC-LLVKDONJSA-N 358.239 4.002 0 1 FIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(Br)c3[nH]2)cc1 587938196 UKKHRYBUHUVTFT-QFYYESIMSA-N 361.239 4.171 0 1 FIAF COc1ccc([C@H](O)[C@H](C)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587938675 YNZDCXYTKXTCEO-RMLUDKJBSA-N 352.221 4.110 0 1 FIAF CCc1ccc(C(=O)CCc2nc3ccnc(Br)c3[nH]2)cc1 587955503 LFVJPBWTIJBSPT-UHFFFAOYSA-N 358.239 4.098 0 1 FIAF C[C@@]1(c2ccc3c(c2)[nH]c2ccccc23)N[C@H](C(=O)O)Cc2cc(F)ccc21 962890105 BSBKKRGOXIVBSC-GMAHTHKFSA-N 374.415 4.323 0 1 FIAF CC(C)n1ccc(C[C@@]2(C)c3ccsc3CCN2Cc2cccnc2)n1 963003882 DUQIVMOGZVBLBZ-NRFANRHFSA-N 366.534 4.437 0 1 FIAF Cc1ccnc2c1CCN[C@]2(CC(=O)c1cc2ccccc2o1)C(F)(F)F 963073430 PXSCIMMBPRWGIP-IBGZPJMESA-N 374.362 4.313 0 1 FIAF COc1cccc([C@]2(CNC(C)C)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963097544 FTRVVCCJTDKWFS-NZQKXSOJSA-N 368.496 4.096 0 1 FIAF Cc1nc(CCCCCCCc2ccc([C@H]3CCN[C@@H]3CO)cc2)co1 1857537479 HWXQJGSAJIRXAP-FGZHOGPDSA-N 356.510 4.157 0 1 FIAF COc1ccc([C@H]2CCC[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 1857541663 DJMJJPBYLZSEBH-CVEARBPZSA-N 358.434 4.478 0 1 FIAF O=C(Nc1ccnnc1)c1cc(C(F)(F)F)ccc1OCc1ccccc1 1857598044 PZGKGIIHFIMCQQ-UHFFFAOYSA-N 373.334 4.327 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@H]1[C@]2(C)CCC[C@@]1(C)CO 2356769756 MMJMGOIGFQALOP-GVVDHYSOSA-N 350.499 4.012 0 1 FIAF COc1ccc(CC[C@@H](C)N2CCC(CO)(Cc3ccccc3)CC2)cc1 12507491 ORZQFGGZADEXFO-HXUWFJFHSA-N 367.533 4.334 0 3 FIAF CC(C)C(CC(=O)OC[C@@H](CO)OC(=O)CC(C(C)C)C(C)C)C(C)C 6004493 DUMNUFPVNODRSI-QGZVFWFLSA-N 372.546 4.070 0 1 FIAF Cc1ccc(N2C[C@H](c3nnc(Cc4ccccc4Cl)o3)CC2=O)cc1 6823031 YDJJDHOUJJDWJQ-OAHLLOKOSA-N 367.836 4.143 0 1 FIAF O=C1CCc2cc(-c3csc(-c4ccc(C(=O)O)cc4)n3)ccc2N1 27107572 PKMVMDZJYNQZGW-UHFFFAOYSA-N 350.399 4.060 0 1 FIAF COc1cc([C@@H](OC)[C@@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)ccc1O 29039199 GTPIPDMTEBZKCI-RXSFTSLZSA-N 358.434 4.332 0 1 FIAF O=C(c1ccc(O)cc1)c1nccc2c1[nH]c1ccc(Br)cc12 84712982 DRIYUTQUFGEKEA-UHFFFAOYSA-N 367.202 4.415 0 1 FIAF biogenic Nc1ccc2c(c1)/C(=C(/c1ccccc1)c1nc3ccccc3[nH]1)C(=O)N2 84741519 VUGNKDMNPGNWRJ-FMQUCBEESA-N 352.397 4.056 0 1 FIAF O=C(c1ncc(-c2ccccn2)o1)[C@@H](O)CCCCCc1ccccc1 100067676 YYGNRTYZROVQPW-SFHVURJKSA-N 350.418 4.083 0 1 FIAF CC[C@@H](Nc1ncnc2c1CN(c1ccc(C)cn1)CC2)c1ccccc1 114995532 XVVMIRNQEFEULE-LJQANCHMSA-N 359.477 4.306 0 1 FIAF O=C1CCN([C@@H]2CCCC[C@@H]2OCC(c2ccccc2)c2ccccc2)C1 142323935 LDKPWNZVJCBMGW-RPWUZVMVSA-N 363.501 4.421 0 1 FIAF COc1ccc(Nc2ncc(F)c(Oc3cccc4c3C(=O)CC4)n2)cc1 145985724 FVAWLDOPQANJAI-UHFFFAOYSA-N 365.364 4.289 0 1 FIAF CN(C(=O)Cc1cccc2occc12)[C@@H](CN1CCCC1)c1ccccc1 197266858 JOFFUGWPRIBKAU-NRFANRHFSA-N 362.473 4.271 0 1 FIAF Cc1c2c(c3oc(-c4ccc(O)cc4O)cc(=O)c3c1O)C=CC(C)(C)O2 238783215 YTWOGUJGOFWAQH-UHFFFAOYSA-N 366.369 4.069 0 1 FIAF C[C@H]1[C@H]2CC[C@H]3[C@H]4CC[C@@]5(O)C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@@]23CN1C 255222528 KFVZDOJVWHIDNK-BQYQJBGRSA-N 374.613 4.004 0 1 FIAF COc1ccc2c(c1)[C@H](OS(=O)(=O)O)C[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 263637754 PFJCFTUPAUBLFO-POGZOPGASA-N 366.479 4.259 0 1 FIAF c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3NCCN2CCCCC2)cc1 299845642 NKOAUYSQEGOTRU-WYZHKKSLSA-N 352.566 4.500 0 1 FIAF CC(=O)N1C[C@]2(CCCN2Cc2ccc(Cl)cc2)Cc2ccccc21 299852751 WZDVBKMCMYFDNZ-NRFANRHFSA-N 354.881 4.284 0 1 FIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299873730 AFNARRDFYIYFQY-MJUUVYJYSA-N 372.509 4.120 0 1 FIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 586907384 LQRPWMFQIJDKAZ-MRVPVSSYSA-N 363.186 4.045 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 586916498 MQJNEYYXCJYMHW-OYHNWAKOSA-N 363.461 4.472 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)c(F)cc2[nH]1 586964057 TVVRTKJSHXAPHX-LBPRGKRZSA-N 352.822 4.403 0 1 FIAF Cc1nn(Cc2nc3ccc4c(c3[nH]2)CCCC4)c(C)c1Br 586978827 JIPVVDFPDJABAN-UHFFFAOYSA-N 359.271 4.066 0 1 FIAF CC(C)(C)OC(=O)[C@@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989259 DEKCDFFWYAHJEL-CYBMUJFWSA-N 373.408 4.133 0 1 FIAF Brc1ccc(-c2ccc(/C=C\c3nc4ncc[nH]c-4n3)o2)cc1 586999108 VRNKIRAQLSBYJE-VURMDHGXSA-N 367.206 4.497 0 1 FIAF O=C1CCc2cc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3cc2N1 587032705 NJAZICQUEGGGBQ-UHFFFAOYSA-N 374.469 4.456 0 1 FIAF FC(F)(F)c1cccnc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587109039 QTTQLITYCYUPOB-UHFFFAOYSA-N 367.640 4.058 0 1 FIAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cnccc4[nH]3)c(F)c2)c1 587138754 UJMDBZMUSJYAGC-UHFFFAOYSA-N 351.312 4.268 0 1 FIAF Cc1ccc2c(ccc3nc(Cn4cc(-c5ccc(F)cc5)cn4)[nH]c32)n1 587164961 GNVXNVWDDABDFO-UHFFFAOYSA-N 357.392 4.470 0 1 FIAF CC(C)(C)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2n1 587174750 SCGVAPNNKMWVDS-HXUWFJFHSA-N 353.397 4.023 0 1 FIAF Cc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1Cl 587193854 TXNMPVWAPPTGAD-UHFFFAOYSA-N 371.868 4.044 0 1 FIAF NC(=O)Nc1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1 587243264 HYLFZVGWFNTYIV-UHFFFAOYSA-N 352.341 4.332 0 1 FIAF C[C@]1(C[C@H]2CCCCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351212 ZGSCRNKKMJCMIQ-BSLALVQMSA-N 369.436 4.181 0 1 FIAF COc1ccccc1-c1csc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587414848 WKTCHEQGKVTRCX-SFHVURJKSA-N 366.442 4.416 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc4ccnc(Cl)c4c1)[C@@H](C2)C3=O 587423738 YYTOSZBMQQJGSY-KXBFYZLASA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc4cccc(C(=O)O)c14)[C@@H](C2)C3=O 587449195 IJEURUISZQNHGB-HRAATJIYSA-N 360.365 4.035 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](Cc1cnccn1)(c1ccccc1)CC2=O 587486267 AYNSGXQJMXLVBJ-HSZRJFAPSA-N 374.440 4.238 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H]1CCCNC1)CC2=O 587487345 VGCUPYDRGVIHBK-SBUREZEXSA-N 365.473 4.205 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc(F)c1F 587559438 XLOWCFLIKIKRQE-JXFKEZNVSA-N 370.307 4.079 0 1 FIAF COc1c(F)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587722586 STEOSWYGRQQENU-JDNHERCYSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccnc23)N1 587801449 GMDJOCVOUHHQGL-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF CC(=O)C12CC([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)(C1)C2 587815722 PCUVONYUWIYRNE-WLZIOQEESA-N 366.274 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCSCC2)N1 587858582 RTHQDPOSHBWESN-HWPZZCPQSA-N 358.320 4.481 0 1 FIAF COc1ccccc1CC(=O)c1nc2c(Br)cc(C)cc2[nH]1 587929202 HFHSWGAITFHBMY-UHFFFAOYSA-N 359.223 4.068 0 1 FIAF CN1CCC(CNc2c(Cl)cnc3[nH]c(-c4cccc(F)c4)nc23)CC1 653783802 XRUKZVGICFRAAW-UHFFFAOYSA-N 373.863 4.171 0 1 FIAF CSC1([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)CC1 962628404 ATURBCYXCIHAGX-TZIWHRDSSA-N 350.531 4.370 0 1 FIAF CC=C[C@@H]1Oc2c(-c3ccccc3)cn(OC)c(=O)c2[C@@H]2[C@@H](C)CCC[C@@H]12 2356618926 ORZSZSIBAZFLLT-LWCVALJOSA-N 365.473 4.431 0 1 FIAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]2CC[C@H]2C(=O)OC[C@H]21 2356797993 OSEFILMYXYHCQF-OMBANNHQSA-N 362.510 4.362 0 1 FIAF O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CC2CCN(CC2)C1 2382242988 QNYMPRJOKKJSAE-UHFFFAOYSA-N 364.367 4.091 0 1 FIAF Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1O)c1ccccc1 787617 LGTOTOCUYMHRLS-NRFANRHFSA-N 374.440 4.119 0 1 FIAF O=c1c(-c2cccs2)nc2cnc(Oc3ccccc3)nc2n1C1CC1 4238497 KREMSENGQQZOTR-UHFFFAOYSA-N 362.414 4.042 0 1 FIAF COc1ccc(OC)c(CN2CCc3onc(-c4ccccc4F)c3C2)c1 12199965 XUERZHWQCCRRFY-UHFFFAOYSA-N 368.408 4.056 0 1 FIAF CCC(=O)NCc1cc2c(OC)cccc2n1Cc1c(C)cccc1C 13645597 FIVCOABUKRODFP-UHFFFAOYSA-N 350.462 4.341 0 1 FIAF C[C@H](COc1ccccc1F)NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1 26568179 QHHDVXLBHHBKLP-SFNBMPIDSA-N 367.770 4.049 0 1 FIAF CCCCOc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1 40955653 IDPUCUOJQHPNGD-UHFFFAOYSA-N 364.873 4.410 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(NCC3CCNCC3)s2)o1 40973079 SELYMTMAYFSILA-UHFFFAOYSA-N 366.556 4.132 0 1 FIAF O=C(O)[C@@H](Cc1ccccc1Br)Oc1ccc(Cl)cc1 45484129 IXVYTFQVYOWLNP-CQSZACIVSA-N 355.615 4.177 0 1 FIAF CC(=O)N1CCC[C@@]1(Cc1ccc(Cl)cc1)C(=O)OCc1ccccc1 49114356 JFJYCQYCQYPTAV-OAQYLSRUSA-N 371.864 4.007 0 1 FIAF O=C(NCCc1ccc(Cl)cc1)c1cncc(-c2ccc(Cl)cc2)n1 64447963 DMUGWPYKKXFQFR-UHFFFAOYSA-N 372.255 4.423 0 1 FIAF CCCC[C@]12C[C@]1(C(=O)Nc1ccncc1)C(=O)Nc1ccc(Cl)cc12 100064269 LLFBNTRGWWURRB-UXHICEINSA-N 369.852 4.144 0 1 FIAF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 100804754 AKLDTUYECWDWIE-MQNAVGNWSA-N 350.506 4.053 0 1 FIAF CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1OCC 116109936 RFNAOFFZMHTEFM-KRWDZBQOSA-N 366.417 4.181 0 1 FIAF CC(C)Oc1ccc(C#N)cc1-c1nc(-c2cccc3c2CC[C@H]3N)no1 117407512 JBLSPSZGYTUASF-GOSISDBHSA-N 360.417 4.008 0 1 FIAF CC(C)c1ccc(-c2cnc3sc(NC4CCC(O)CC4)nn23)cc1 117608813 MJCDYUOMZGQKCK-UHFFFAOYSA-N 356.495 4.297 0 1 FIAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccncc3)cc2n1 221615030 ZGZZUBRFXLUFCP-UHFFFAOYSA-N 371.415 4.320 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H](OCC)[C@@H](O)CCCCCCCC(=O)O 231929908 BHDZXVBBVBHNKG-AFVPESNESA-N 358.519 4.065 0 1 FIAF CO[C@H]1O[C@@H]2Oc3c(O)c(C(C)C)cc(C=O)c3[C@]13CCCC(C)(C)[C@H]23 238781958 WYHKLFVOHQLLTR-IWFBPKFRSA-N 360.450 4.113 0 1 FIAF CC(C)C[C@H](NC(=S)NCc1ccccc1)c1nc2ccccc2[nH]1 299820265 CVZJFJUIWCNDFG-SFHVURJKSA-N 352.507 4.314 0 1 FIAF CO[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 473183111 MQTTVQMAXLFPBX-RWSUSOHTSA-N 355.522 4.333 0 1 FIAF CCOc1n[nH]c(-c2nc3cc(C)c(Cl)cc3[nH]2)c1Br 586978887 BDZJILCSEQCKSN-UHFFFAOYSA-N 355.623 4.076 0 1 FIAF Cc1ccnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 586984128 IKVSSMXDERJQNY-MRXNPFEDSA-N 371.282 4.214 0 1 FIAF C=CC(=O)NC(C)(C)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995399 GRLYMGWNDDCHQB-UHFFFAOYSA-N 370.452 4.378 0 1 FIAF Oc1c(Br)ccc2nc(CCc3ccccc3Cl)[nH]c12 587059262 NALOMQMLSITQKB-UHFFFAOYSA-N 351.631 4.470 0 1 FIAF Clc1ccc(-c2nnc(CCc3nc4c(Cl)ccnc4[nH]3)o2)cc1 587077343 VFJMXSHHKVDZGO-UHFFFAOYSA-N 360.204 4.100 0 1 FIAF CCCOc1cc2nc(C(F)(F)C(F)F)[nH]c2cc1Br 587089606 VTTNKGGNVHYHNZ-UHFFFAOYSA-N 355.129 4.471 0 1 FIAF Fc1ccc2[nH]c(-c3nc4nc(Br)c[nH]c-4n3)c(Cl)c2c1 587173533 DBIVGYCXJHIRRU-UHFFFAOYSA-N 366.581 4.008 0 1 FIAF Cc1ccnc2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc12 587189569 BFFZOVMWBJFSHS-INIZCTEOSA-N 352.438 4.223 0 1 FIAF COc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1C 587201908 YRRRCLBJZSEKIZ-UHFFFAOYSA-N 361.486 4.461 0 1 FIAF COc1cccc(-c2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)c1 587415206 YLMCBIRCQIHOQK-GOSISDBHSA-N 366.442 4.416 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccccc1OC)(C(C)(C)C)[C@@H](C2)C3=O 587441197 FFWCHLJOXWWIQU-AOMKIAJQSA-N 352.430 4.393 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OCC)[C@H](C)C1)CC2=O 587476915 BOEMEPUJDJZKGM-LKBUQDJMSA-N 360.450 4.048 0 1 FIAF C[C@H]1CN(Cc2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518082 ZYNUPVPQIKEIFD-XDHUDOTRSA-N 361.485 4.421 0 1 FIAF CC(C)(C)OC1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600069 KPLOREAMBJBLNP-IBBFCSCYSA-N 354.402 4.070 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822305 JUMOQEZXUPIJSA-VZSAFFHGSA-N 368.290 4.487 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(=O)O)ccc1Cl 587869561 MJSLJOGULKHEAD-UHFFFAOYSA-N 360.772 4.429 0 1 FIAF CC(C)(C)c1ccc2c(c1)[C@]1(CCC2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962906648 HMMOLTGUNMFZEJ-NZQKXSOJSA-N 367.464 4.302 0 1 FIAF Cc1ccnc2c1CCN[C@]21CCc2c(OCc3ccccc3)cccc21 963085892 HYYMXTPKMMOEHA-DEOSSOPVSA-N 356.469 4.305 0 1 FIAF CCc1sc2ncnc(O[C@H](C)C(=O)O)c2c1-c1ccc2[nH]ccc2c1 1857585302 WBVIAMZVXIOLIK-SNVBAGLBSA-N 367.430 4.254 0 1 FIAF COc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3C)[nH]n2)cc1OC 61906002 NMWVLKIDDSEJQW-UHFFFAOYSA-N 371.824 4.308 0 3 FIAF COc1ccnc(-c2cccc(C)c2[S@@](=O)c2nc3ccccc3[nH]2)c1 13900886 LUPGJVQXJQCKQB-SANMLTNESA-N 363.442 4.109 0 1 FIAF Cc1s/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n(CC2CC2)c1C 28954349 HCHMXMMMAWMSNQ-PGMHBOJBSA-N 354.397 4.336 0 1 FIAF Fc1ccc(-c2ccc(CN3CCN(c4ccc(F)cc4)CC3)[nH]2)cc1 29569127 XYUUPGPKUVPULM-UHFFFAOYSA-N 353.416 4.282 0 1 FIAF COCCOc1ccc(-c2cn3nc(-c4ccsc4)ccc3n2)cc1 38345033 QEAJMXKVCVTSAJ-UHFFFAOYSA-N 351.431 4.150 0 1 FIAF O=C(O)C1=CCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1 43202667 VFKIKYZNUCGJGD-DHLKQENFSA-N 373.496 4.341 0 1 FIAF Cc1ccc2oc(=O)cc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 49567195 YKPOQITUYGLSGD-UHFFFAOYSA-N 354.837 4.081 0 1 FIAF C[C@H](C(=O)O)c1c(F)cc(C[C@H]2CCCC2=O)cc1-c1ccc(O)cc1 84725154 RLOAKDJOSNIQNV-SWLSCSKDSA-N 356.393 4.298 0 1 FIAF Nc1cc(Cl)c(Cl)cc1C1=NN(C(=O)CCc2ccccc2)CC1 96907951 NGEALOHVDQEIAD-UHFFFAOYSA-N 362.260 4.145 0 1 FIAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@H]2CCCCC[C@@H]12 169350379 UASWVEYKVQSSHS-RTWAWAEBSA-N 365.521 4.033 0 1 FIAF COC1CCC(C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 218974615 BMKCMPYMLCCZIQ-KFRGIWLWSA-N 371.521 4.038 0 1 FIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(Br)c(O)c3[nH]2)cc1 586889348 MQPBCTYPXFDWPN-BMIGLBTASA-N 361.239 4.177 0 1 FIAF O[C@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C1CCOCC1 586916649 NEBGSMSCBVRMHY-SFHVURJKSA-N 365.458 4.300 0 1 FIAF CCOC(=O)[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990898 HTEZUVLKQKWIOF-OAHLLOKOSA-N 373.408 4.135 0 1 FIAF Brc1cccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587016326 KAAXZWJOUVAKCS-NSHDSACASA-N 350.241 4.300 0 1 FIAF CC(C)CCOc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Br 587126238 VZVABRGQIFOYQP-LKFCYVNXSA-N 358.255 4.108 0 1 FIAF O=NCc1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 587189625 CVFOPPMMUKSKJT-UHFFFAOYSA-N 363.158 4.101 0 1 FIAF Nc1ccc(I)cc1-c1cc2c3c(cccc3n1)CC2 587212843 LIQVBJLMWYPLRS-UHFFFAOYSA-N 372.209 4.187 0 1 FIAF COC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cn1 587244295 CJAYYRNHNXVYFC-UHFFFAOYSA-N 370.718 4.475 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccccc1N)O2 587384603 NHYKRKOHZFUREB-QFIPXVFZSA-N 362.404 4.208 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)nc1C(F)(F)F)[C@@H](C2)C3=O 587424154 XSVJPSSFBDIASK-BONVTDFDSA-N 369.726 4.251 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC4CC4)c(C)c1)[C@@H](C2)C3=O 587443759 PKKAMBKWMGSBBQ-HTAPYJJXSA-N 350.414 4.281 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc4nccc(Cl)c4s1)[C@@H](C2)C3=O 587451869 LEUYJGMHATVEDV-DYZYQPBXSA-N 357.818 4.447 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)oc4ccc(O)cc14)[C@@H](C2)C3=O 587455134 JPLGJVYXJJAAJM-YCRPNKLZSA-N 350.370 4.118 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1oc4cc(OC)ccc4c1C)[C@@H](C2)C3=O 587456665 XDEQTQDEOSHLCH-YCRPNKLZSA-N 350.370 4.247 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(F)c1-n1cccn1)CC2=O 587467890 UZVBGNXIGUOUHP-LJQANCHMSA-N 366.392 4.376 0 1 FIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Cl)cccc12 587496263 ASMZEKLOMCMFPR-HXUWFJFHSA-N 353.805 4.032 0 1 FIAF O=C1C[C@@H](c2ccn(CC(F)(F)F)n2)Oc2c1ccc1c2CCCC1 587499864 NKZLBOHMAJQCMA-INIZCTEOSA-N 350.340 4.031 0 1 FIAF Cc1cc2c([nH]1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587163 FZUYNOZVOLAZRG-SIKLNZKXSA-N 361.397 4.222 0 1 FIAF C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 587606171 BXZJWYXKYGEPGA-IJIZOXLDSA-N 374.392 4.420 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=COc1ccccc12 587608723 LQQOCSAITPPLHN-DENIHFKCSA-N 358.349 4.155 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(F)c2F)N1 587721166 PAGJRRXHNYAKHG-HYORBCNSSA-N 372.184 4.196 0 1 FIAF O=C(O)c1cccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587783020 VPUYNRZPJBTJHD-UHFFFAOYSA-N 360.369 4.213 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3[nH]ncc23)N1 587791644 GRLIEZOHDMOXHO-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF Cc1ccc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)cc1C 587920397 HCZZMRKEKOYJOI-UHFFFAOYSA-N 362.454 4.266 0 1 FIAF CC[C@@H](C(=O)Nc1cc(-c2ccc(OC)c(OC)c2)no1)c1ccccc1 621431088 MPIONZHOGBWKSV-MRXNPFEDSA-N 366.417 4.491 0 1 FIAF Cc1c(F)ccc2c1[C@H]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)NCC2 962089029 FNHVMWZNCHKXOX-NRXGSXMXSA-N 362.489 4.357 0 1 FIAF COc1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(F)c1 962722455 XGZJZMRTEHEJKF-RBZFPXEDSA-N 361.457 4.426 0 1 FIAF COc1ccc2c(c1)[C@H](c1cc(-c3ccccc3F)no1)N[C@H]1CC[C@H]21 962992643 IAYLWIFAPZOQLU-YMTYPPQLSA-N 350.393 4.428 0 1 FIAF COc1ccc(-c2nnc3ccc(-c4cccc5c4OCC5)cn23)cc1OC 2382259228 VVFZBYWQRHZCJT-UHFFFAOYSA-N 373.412 4.015 0 1 FIAF COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2cnc(C)s2)C1 19792999 MKZLUAVLJPHTCA-ZDUSSCGKSA-N 364.898 4.208 0 3 FIAF O=C(c1ccccc1)N1CC[C@H]2[C@H](CCCN2Cc2cc(F)cc(F)c2)C1 199408028 VUCUHCXXHXMSMP-NQIIRXRSSA-N 370.443 4.092 0 3 FIAF CCOC(=O)c1c(C)cc2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2c1C 28757937 WHQBWVNRHIIBLD-UHFFFAOYSA-N 370.836 4.141 0 1 FIAF CCc1c(-c2ccccc2)c2c(c3c1[nH]c1ccc(O)cc13)C(=O)NC2=O 34804080 MNXSFHOIYMHBJG-UHFFFAOYSA-N 356.381 4.140 0 1 FIAF Fc1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)c(F)c1 73162729 IJOKOKLRFXBXIG-UHFFFAOYSA-N 362.357 4.078 0 1 FIAF COC(=O)c1ccc2c(c1)c1c(n2CCc2nc3ccccc3[nH]2)CCCC1 73160613 NONKKVBDLOETAF-UHFFFAOYSA-N 373.456 4.426 0 1 FIAF Cc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1Br 199269914 GINOYGZQTITJPA-CYBMUJFWSA-N 369.303 4.203 0 3 FIAF Cc1ccccc1C(=O)NCC1(c2ccc(Cl)cc2)CCN(C)CC1 473183020 KBIJUVIYTQJCAP-UHFFFAOYSA-N 356.897 4.042 0 1 FIAF COc1cc(-c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccn1 587393825 NMRZRJPSBZUWEE-HXUWFJFHSA-N 360.413 4.354 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CC(C)(C)C2)N1 587823515 PUBTYOGCPNALJY-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2cccc(F)c2)N1 587728829 FWHDVLQGKVPNSP-MEBBXXQBSA-N 368.221 4.382 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2Cl)N1 587701250 WVMHESLBPPGMFW-JDNHERCYSA-N 369.665 4.434 0 1 FIAF CC(C)[C@@H]1C[C@]2(CS1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617898 MCCUBXLVBNEDAC-ABSDTBQOSA-N 356.443 4.254 0 1 FIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(Br)nc2[nH]1 587929834 MWPYKHXSHBXEMD-DIFFPNOSSA-N 358.239 4.174 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(Cl)cc1F)[C@@H](C2)C3=O 587422286 CWDJCQJWBQJSHZ-BBATYDOGSA-N 350.748 4.290 0 1 FIAF Clc1ccc(-c2nnc(CCc3nc4ccc(Cl)nc4[nH]3)o2)cc1 587075590 FJSKGMAGUWUKGC-UHFFFAOYSA-N 360.204 4.100 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)cnc2[nH]1 586964287 WYYLTYBLBLLPQC-SNVBAGLBSA-N 369.372 4.024 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ncc1Cl 587570658 OXKMEJRGQDYWPA-LPHOPBHVSA-N 371.751 4.283 0 1 FIAF COc1cncc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c12 586966100 FCXXYPDIIDUZNP-UHFFFAOYSA-N 365.462 4.061 0 1 FIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Cl)cnc3[nH]2)c1 587240859 PXTBLHSWTLVRTE-UHFFFAOYSA-N 360.801 4.331 0 1 FIAF COc1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1 587242034 NVBSWWNMCYIYDZ-UHFFFAOYSA-N 355.394 4.291 0 1 FIAF O[C@H]1C[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)c2ccccc21 586905033 XMMHRXUXZBNOQM-SKDRFNHKSA-N 365.177 4.173 0 1 FIAF O[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1Cl 587058970 KERXOEKVAUVLJC-CYBMUJFWSA-N 355.594 4.200 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccnc2Cl)N1 587714630 AYRLQXDWLVGOKQ-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF COC[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344526 CZZOVWJTKKPKKS-FPOVZHCZSA-N 356.393 4.076 0 1 FIAF CCOc1ccc(C(=O)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522297 GXEHCQUBBWQOJI-HXUWFJFHSA-N 350.414 4.181 0 1 FIAF CC[C@]1(c2ccccc2OC(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420662 GOVTZSZAEWIERZ-JLTOFOAXSA-N 360.356 4.350 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)Cc1ccc3c(c1)OCO3)CC2=O 587493142 SETSMIMWMFDJRP-RNODOKPDSA-N 368.429 4.286 0 1 FIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC(C)C 587401121 QEXJMHKMLJBTOB-LJQANCHMSA-N 355.434 4.327 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccn1)C1CC1 587589656 WOJAHEJMHHMAPI-REWPJTCUSA-N 373.408 4.140 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC)c1cc(C(=O)OC)n(C)c1 963233477 ULYLSNSNTRWOIZ-ZHRRBRCNSA-N 354.494 4.122 0 1 FIAF Fc1cc(Br)cnc1[C@H]1c2c(F)cccc2C[C@H]2CCCN21 963104451 UKCZHCCFHIIHTF-SJKOYZFVSA-N 365.221 4.232 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2cccc(Cl)c2)([C@@H](C)O)N1 962951906 PHCLWASAXCIWST-FQWGINHLSA-N 354.881 4.370 0 1 FIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3c(cccc3C(F)F)C2)cc1 1772572907 BKSHVERWIRKOMT-CQSZACIVSA-N 358.432 4.380 0 1 FIAF COc1ccc(N[C@H](C[S@@](=O)c2ccc(C)cc2)C(F)(F)F)cc1 5581588 BUUFBGKRIPFAJH-GYCJOSAFSA-N 357.397 4.154 0 1 FIAF CCCCc1ccc(C2=NN(S(=O)(=O)c3ccccc3)CCC2)cc1 13557096 XJYTYUUOVHXTNL-UHFFFAOYSA-N 356.491 4.218 0 1 FIAF c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCCC4)cc1 13560019 FWKHOJIWABTESL-UHFFFAOYSA-N 371.444 4.034 0 1 FIAF CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169358858 ZOIUUCNFVDJSJK-LFQRWVBISA-N 374.569 4.039 0 1 FIAF Nc1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1OC2 103273320 DRQUHHUIFKHZRO-UHFFFAOYSA-N 352.340 4.414 0 1 FIAF Nc1ncnc2c1N=C1c3ccccc3CC[C@H]1[C@H](c1ccc(F)cc1)N2 53242831 IPFCUCSXQMBYRG-IRXDYDNUSA-N 359.408 4.048 0 1 FIAF COc1ccc(N(CC2CCCC2)C(=O)Nc2ncc(Cl)s2)cn1 28130359 BGAJFKBUJHAHGE-UHFFFAOYSA-N 366.874 4.429 0 1 FIAF CCc1ccc(O[C@]2(C)CCN(Cc3ccc4c(c3)OCCO4)C2)cc1 61903851 HOGGOCDYAINOFA-JOCHJYFZSA-N 353.462 4.064 0 3 FIAF CO[C@@H]1CC(=CC[C@@]2(C)[C@@H]3CCC=C(C(=O)O)[C@]3(C)CC[C@H]2C)C(=O)O1 2356594941 MRXKWDQPIXXGBB-YFDDECCXSA-N 362.466 4.086 0 1 FIAF NC(=O)c1cnc2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3)[nH]c2c1 36179308 DQGJKGUVZQQWDJ-UHFFFAOYSA-N 364.792 4.170 0 1 FIAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3o1)CCN(C(C)C)C2 36381382 RGLVQNVGGWMTAJ-UHFFFAOYSA-N 355.463 4.281 0 3 FIAF O[C@H](CNc1ccnc(Nc2ccccc2)n1)c1ccc(C(F)(F)F)cc1 45202027 RMGUJVWQFUFXHE-MRXNPFEDSA-N 374.366 4.385 0 1 FIAF CC[C@H](C)CCOC(=O)c1cc(CO)cc(C(=O)OCC[C@@H](C)CC)c1 40833871 DCCCMTWRVXIVEE-HOTGVXAUSA-N 364.482 4.365 0 1 FIAF O=C1NCCN1C(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49114362 FUMAWGCTIQYSIB-CYBMUJFWSA-N 355.265 4.209 0 1 FIAF COc1ccc2c(c1)OC1=C(C(=O)OC1)[C@@H]2c1cc(Cl)cc(Cl)c1 45484928 CBNCGFZJFJGGRN-MRXNPFEDSA-N 363.196 4.337 0 1 FIAF COc1cc(Nc2cc(Oc3cccnc3)ccn2)cc(OC)c1OC 45287128 RJOVWAKDUXCTGH-UHFFFAOYSA-N 353.378 4.038 0 1 FIAF O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 95872296 XFLZELRWIBAHQY-HKBOAZHASA-N 363.457 4.052 0 1 FIAF Fc1cc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)ccc1Cl 96271407 FEOMUYQXOVTWQS-UHFFFAOYSA-N 357.772 4.277 0 1 FIAF Cc1ccc(Nc2nc(Cl)nc(Sc3nc(C)cc(C)n3)n2)cc1 68572856 VNVQMNQQAAWOAI-UHFFFAOYSA-N 358.858 4.135 0 1 FIAF biogenic Nc1ccc(-c2ccc3[nH]c(C4=Cc5cccc(O)c5OC4)nc3c2)cc1N 586907728 JQUIAKYUJCYBEF-UHFFFAOYSA-N 370.412 4.033 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(Cc3ccccc3)c1Cl)O2 587379617 JRHMGWUVUPZJFO-GOSISDBHSA-N 367.836 4.182 0 1 FIAF C[C@@H](Sc1ncccn1)c1nc2cc(Br)c(F)cc2[nH]1 586960867 CUPOCMVNGPIXBR-SSDOTTSWSA-N 353.220 4.108 0 1 FIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587068559 CPSMYICSRMVFEG-LLVKDONJSA-N 367.836 4.478 0 1 FIAF Fc1cnc(Br)c2[nH]c(CSCc3ccsc3)nc12 587026699 MFNYDQWGZLBKKV-UHFFFAOYSA-N 358.261 4.354 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccccc1 587862838 YOCWQBJUNNTBDH-UHFFFAOYSA-N 360.335 4.460 0 1 FIAF CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587399967 OGOFVVZLLWJSPK-JLDZCNIISA-N 373.493 4.451 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O 587419609 DANHXTGTZYZSDE-KSSFIOAISA-N 364.319 4.391 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(OC(C)C)cc2[nH]1 586963616 PKQSBYFKOQKXIK-HNNXBMFYSA-N 358.467 4.398 0 1 FIAF Cc1c(F)ccc2c1[C@](C)(Cc1c(F)c(F)c(F)c(F)c1F)NCC2 962144382 KILQSQIHJXRGIJ-SFHVURJKSA-N 359.313 4.433 0 1 FIAF Fc1cccc([C@@]2([C@H]3CCNC3)NCCc3cccc(-c4ccccc4)c32)c1 962666273 JLNOLGKITURWCL-OFVILXPXSA-N 372.487 4.492 0 1 FIAF Cc1cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(C)n1C 962645872 YRYAUWBWELEEOZ-DHLKQENFSA-N 371.528 4.478 0 1 FIAF Cc1c(O)ccc2c1[C@@]1(CC[C@@H](c3cccc(Cl)c3)C1)N[C@H](C(=O)O)C2 963521121 APMMOYXJWXIYPN-KUDFPVQQSA-N 371.864 4.116 0 1 FIAF O=C1[C@H](Oc2ccccc2)[C@@H](c2ccco2)N1c1nc2ccccc2s1 1772630479 WZWAJRXWMJMHGZ-QZTJIDSGSA-N 362.410 4.425 0 1 FIAF C[C@@H](N[C@H]1CCN(c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12 11689286 BDCLEXSIIWFCSP-APWZRJJASA-N 360.457 4.468 0 1 FIAF Cc1ccccc1/C(=C\OCCN1CCC[C@@H](C(=O)O)C1)c1ccccc1 13800075 ZSIQABNOIRNWDY-KTXUMSRNSA-N 365.473 4.197 0 1 FIAF O=C(SCCc1ccccc1)c1c(O)[nH]c2cc(Cl)ccc2c1=O 13833643 KROAZDRGUHLTIF-UHFFFAOYSA-N 359.834 4.003 0 1 FIAF CN(C)CCCN1C(=O)/C(=C/c2ccccc2Cl)Oc2ccccc21 169324444 NNBJLVBJCAMQBA-RGEXLXHISA-N 356.853 4.058 0 1 FIAF CCCCSc1cc(C(=O)O)cc(NC=O)c1C(=O)c1ccccc1 169343311 BQCYAVSBQNHYSA-UHFFFAOYSA-N 357.431 4.076 0 1 FIAF CN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 202704700 XKQLEHAUNQHZBK-IBGZPJMESA-N 374.444 4.269 0 1 FIAF CC1=C[C@@]2(C=C(C)[C@@H]3CC[C@@]4(C)Oc5cc(C)c(O)cc5[C@@H]2[C@@H]34)OC1=O 1857619512 RRPHRPAMBSVQRA-XUVLFGQGSA-N 352.430 4.163 0 1 FIAF C[C@H](F)C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 13676630 QPOSPHNNBYIFHO-SFHVURJKSA-N 354.469 4.085 0 1 FIAF O=C(COc1ccc(Cl)cc1[C@H](O)c1ccccc1)Nc1ccccc1 13741304 OPUNLYMXTLKIOB-OAQYLSRUSA-N 367.832 4.439 0 1 FIAF CCCC(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@H](O)CC)cc(=O)oc12 14586080 IQEXTUNPLYDHAD-CQSZACIVSA-N 374.433 4.139 0 1 FIAF biogenic,in-vitro CC[C@H](C)N1C(=O)c2ccccc2C[C@]1(C)C(=O)NC1CCCCCC1 20386921 ULNOQUBDCMLXRL-KSFYIVLOSA-N 356.510 4.081 0 1 FIAF CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C1CCCC1 26177981 CMQWSHZUXWRMAJ-UHFFFAOYSA-N 371.481 4.328 0 1 FIAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1O 26507504 PKNCMHIFSWTLHO-QZTJIDSGSA-N 368.477 4.252 0 1 FIAF CN(C(=O)Cc1cccc2ccccc12)[C@H]1CCCC[C@H]1N1CCCC1 26839229 WHXOYHJXSJLTPK-FCHUYYIVSA-N 350.506 4.248 0 1 FIAF CCOC(=O)c1ccc2oc(/C=C/C=C/c3ccc(O)c(OC)c3)nc2c1 27211393 RHZAJWLNKBUWHC-YDFGWWAZSA-N 365.385 4.445 0 1 FIAF Cc1ccc(NS(=O)(=O)C(C)C)cc1C(=O)Nc1ccc(Cl)cc1 27423896 WQFJDOYNPJAQEX-UHFFFAOYSA-N 366.870 4.051 0 1 FIAF CCc1ccccc1OC[C@@H](O)CNC(C)(C)Cc1cc2ccccc2[nH]1 28135721 JUPPMMQRNBXSGO-FQEVSTJZSA-N 366.505 4.081 0 1 FIAF CCN(CC)C(=O)c1c(NC(=O)c2ccsc2)sc2c1CCCC2 28707868 NJNFXLYQAVQOJG-UHFFFAOYSA-N 362.520 4.423 0 1 FIAF O=C(O)C1=CCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1 43202669 VFKIKYZNUCGJGD-RDGATRHJSA-N 373.496 4.341 0 1 FIAF O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(n2cccc2)CC1 45335727 VWASPBPUXCRHTH-UHFFFAOYSA-N 353.344 4.256 0 1 FIAF CCOc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)co1 72182565 BITJYVCIUCHONU-UHFFFAOYSA-N 363.461 4.063 0 1 FIAF Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)O)cc1 84730145 DNFLZDMJDVSPNG-UHFFFAOYSA-N 374.396 4.198 0 1 FIAF O=C(/N=c1\[nH]cc(-c2ccc(Cl)cc2)[nH]1)c1c[nH]cc1-c1ccccc1 95560018 PKYMWRCAJMRKLI-UHFFFAOYSA-N 362.820 4.399 0 1 FIAF c1ccc(-c2cc(Nc3cccc(N4CCCC4)n3)c3nccn3n2)cc1 95580284 BUQDEURXPZKMSY-UHFFFAOYSA-N 356.433 4.135 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2CO[C@@H](C2)[C@@H]1C/C=C/CCCC(=O)O 100309681 DJKDIKIDYDXHDD-FUYHVBCGSA-N 350.499 4.336 0 1 FIAF in-vitro CC[C@H](C)[C@@H](CNC)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@H](C(C)C)C1 101282669 RJHIDTUVERQXBY-VRBBIHERSA-N 363.634 4.089 0 1 FIAF COc1ccc(C(=O)CSc2nc(C)c(C)n2Nc2ccccc2)cc1 103244292 YUNJUVBAOLUTFN-UHFFFAOYSA-N 367.474 4.359 0 1 FIAF COc1ccc([C@@H]2CC(c3cc4ccccc4nc3C)=NN2C(C)=O)cc1 103273618 XITKZOSBDIQTQI-QFIPXVFZSA-N 359.429 4.249 0 1 FIAF CCCCCOc1ccc([C@@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1 116194526 RAMGEBXRKHKRND-FQEVSTJZSA-N 364.449 4.403 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CNC(=O)CC[C@]34C)C1=CC=C2n1ccnc1 169227071 LGJVZLPYWJOWTB-CAUQANCSSA-N 351.494 4.023 0 1 FIAF C/C(=C/CC/C(C)=C\CC/C(=C\CC/C(C)=C\C(=O)O)C(=O)O)CO 238742835 FGJWXLZRPBWZLH-NHJMLNGISA-N 350.455 4.254 0 1 FIAF NCc1ccc(-c2cc(C(=O)O)nn2-c2ccc(Cl)c(Cl)c2)cc1 299866938 XAYIFWDBQOVMPM-UHFFFAOYSA-N 362.216 4.003 0 1 FIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cccc(Cl)c2[nH]1 586974025 TWLFHOUFRLGCKO-MRXNPFEDSA-N 359.882 4.327 0 1 FIAF CCN(CC)CCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989008 WDNNJTZSEXJQDQ-UHFFFAOYSA-N 360.457 4.426 0 1 FIAF Cc1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 586999869 JQEINECLKHJAEN-UHFFFAOYSA-N 371.190 4.113 0 1 FIAF Oc1nc2cc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3cc2[nH]1 587032682 MWCPQTDYXZOGOS-UHFFFAOYSA-N 361.430 4.153 0 1 FIAF Cc1ccc(S(=O)(=O)n2cccc2-c2cc3c4c(cccc4n2)CC3)cc1 587216940 ROLVFSFEFJXJIF-UHFFFAOYSA-N 374.465 4.347 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2OC2CCC2)[C@@H]1c1ccc(F)cc1 587352493 JSEQNRLAGLLCKB-SJBKTWHCSA-N 368.404 4.361 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1Br)O2 587380663 BHPRBAGUQLRZMM-CQSZACIVSA-N 350.187 4.185 0 1 FIAF CSc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587412422 YMIPZINTDRYNCQ-HXUWFJFHSA-N 371.458 4.025 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c4ccnc-4[nH]cc1C(F)(F)F)[C@@H](C2)C3=O 587422572 OVMSUCBECHYJEI-GTNSWQLSSA-N 374.318 4.031 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C(=O)OCC)c1ccccc1)CC2=O 587479352 ICEIVXJSOYVJJT-UXHICEINSA-N 368.429 4.025 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-n1cccn1)CC2=O 587481043 XOCJROADYZUBOA-QFIPXVFZSA-N 362.429 4.411 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](CC(=O)O)c2ccccc21 587490010 QASFLJKMPDIABC-DMZKTXOQSA-N 366.413 4.167 0 1 FIAF CC[C@H](C)c1ccccc1OCC(=O)n1ncc2ccc(Cl)cc2c1=O 587652411 RKDYCVVUYRFXPL-ZDUSSCGKSA-N 370.836 4.283 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2N)N1 587726655 KDZRXMBXRHYFBZ-VVVCHXIZSA-N 367.237 4.107 0 1 FIAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C(C)C 587766852 XKGKPXMDCYUPIB-DYZYQPBXSA-N 366.278 4.298 0 1 FIAF CC(C)c1nn(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587767284 XXYQPXGVYGSTMF-DYZYQPBXSA-N 366.278 4.069 0 1 FIAF CO[C@@H]1[C@H](C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587813982 XCACVJNBKQSHLB-UJFOZSIOSA-N 356.279 4.009 0 1 FIAF CCc1cc(O)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587830582 DONHWNAXPLLHJX-XTZNXHDOSA-N 364.258 4.480 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C=O)cs2)N1 587849680 VGVNTBJTQVMJMF-JDNHERCYSA-N 368.271 4.260 0 1 FIAF CCCC(=O)Nc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873519 GTYCDRKIOCYYHI-UHFFFAOYSA-N 365.364 4.222 0 1 FIAF Fc1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cn1 962642873 VGBRVBVFIQQHTO-NZQKXSOJSA-N 359.448 4.057 0 1 FIAF CCCCN1C(=O)[C@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2ccccc21 963102594 FUBSEJQBHOLDFD-JPYJTQIMSA-N 364.464 4.237 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1ncc(-c2ccccc2)o1 963256778 FFBISTODISRTQB-HXUWFJFHSA-N 354.837 4.413 0 1 FIAF O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1F 1857564585 QYOMEYPVKYGUEE-UHFFFAOYSA-N 368.389 4.435 0 1 FIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3C[C@H]4OC(=O)C(C)=C4C=C3CC[C@@H]2C1(C)C 2356484123 JLHBPOUWGMGEPC-ACMVSEJYSA-N 358.478 4.343 0 1 FIAF CC[P@](=O)(OC)c1ccc2nc(-c3ccnc(OC(F)F)c3)oc2c1 2382239675 VPTBLQYXMUAFAT-VWLOTQADSA-N 368.276 4.061 0 1 FIAF COc1ccccc1-c1cccc2c1COCC(=O)N2Cc1ccccc1 74375180 PXBQXGRAWCSTCT-UHFFFAOYSA-N 359.425 4.426 0 3 FIAF COc1ccnc(-c2cccc(C)c2[S@](=O)c2nc3ccccc3[nH]2)c1 3787357 LUPGJVQXJQCKQB-AREMUKBSSA-N 363.442 4.109 0 1 FIAF O=C1CCC[C@@H]2C[C@H](NCc3ccc(Cl)c(Cl)c3)C[C@@H]3CCN1[C@@H]32 13813317 XISLUXIQSYDWFI-MMMWYMCRSA-N 367.320 4.263 0 1 FIAF CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4 15149463 UFBHHWPUVXVFRG-YCRPNKLZSA-N 352.386 4.239 0 1 FIAF biogenic N=C(Nc1ccc2c(ccn2[C@@H]2CN3CCC2CC3)c1)c1cccs1 72106551 WASUQFOKPNRIGE-GOSISDBHSA-N 350.491 4.407 0 1 FIAF C(=C/c1ccc([C@H]2[C@H]3CN(Cc4cccnc4)C[C@@H]2N3)cc1)\c1ccccc1 100106572 NMJOVINWKREFBH-JIEOOCEFSA-N 367.496 4.192 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC=C2c1cnccn1 169226466 SSOZTSCLNCKUSV-BQBMVXNTSA-N 363.505 4.159 0 1 FIAF Cc1cc(Cl)nc2ccc(O)c(Cc3c(-c4ccccc4)[nH][nH]c3=O)c12 169311779 YMLSXKGRFVTVED-UHFFFAOYSA-N 365.820 4.176 0 1 FIAF CC(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F 204425219 HXCSRZMFDCEUNO-KRWDZBQOSA-N 356.363 4.013 0 1 FIAF CC(=O)OC[C@@H](O)[C@@]1(C)CC[C@@]2(C)[C@H](C1)C(=O)C[C@]1(C)C(C)=CCC[C@@H]12 238774520 JAWOFDXSZHKEOQ-PQWFXDHLSA-N 362.510 4.059 0 1 FIAF Clc1ccc2[nH]c(CCC[C@@H]3NC[C@H]4C[C@H]3CN3CCCC[C@H]43)nc2c1 299826996 FKJXPOBOQROHGP-TXDAXLQXSA-N 372.944 4.001 0 1 FIAF Cc1cc(Br)c2nc(C3=Cc4cccc(O)c4OC3)[nH]c2c1 586906872 ATPRDOHRAIXRMT-UHFFFAOYSA-N 357.207 4.272 0 1 FIAF CCCc1sc(=N)[nH]c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587013356 LZTFMHYJIUCBOR-UHFFFAOYSA-N 362.458 4.282 0 1 FIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)nncc4[nH]3)c21 587032209 ZRYJRGSTYIMJNU-SNVBAGLBSA-N 351.435 4.018 0 1 FIAF COc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1Cl 587115811 BGYNDVZOOUUQGZ-UHFFFAOYSA-N 365.142 4.298 0 1 FIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cccnc3[nH]2)c1 587147162 JEYNDEWYQZQDQJ-UHFFFAOYSA-N 363.348 4.138 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1cccc(Cl)c1)O2 587377798 KBABBECIOVTRSZ-KRWDZBQOSA-N 353.809 4.327 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cnc(C4CCCCC4)nc1)[C@@H](C2)C3=O 587436537 QKMQOBWPRSVDFC-JXFKEZNVSA-N 350.418 4.022 0 1 FIAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C(C)C 587583676 WNMDGYOBCYMUCZ-RXVVDRJESA-N 364.401 4.181 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc2cnccc12 587589224 WJJUKSNGAOPPOS-UGKGYDQZSA-N 370.364 4.038 0 1 FIAF CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587775394 ZUATYJXLQAPJEL-BTDLBPIBSA-N 365.246 4.006 0 1 FIAF CCOc1ccccc1-c1cccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c1 587779944 KAWJIQRZXYCUGJ-UHFFFAOYSA-N 357.413 4.395 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3[nH]ncc23)N1 587797320 RVDWYAGPKKXIAC-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3[nH]ncc23)N1 587797324 RVDWYAGPKKXIAC-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 587825474 DSXLKRICURVCMU-ZJONYGFMSA-N 366.274 4.097 0 1 FIAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(Br)nc2[nH]1 587935959 XGHNFMMCUOOATJ-UHFFFAOYSA-N 370.250 4.301 0 1 FIAF Cc1sc2c(c1C)CCN[C@@]21C2CCN(CC2)[C@@H]1Cc1ccccc1F 963011359 PLXJQJCVADCREC-IFMALSPDSA-N 370.537 4.182 0 1 FIAF O=S(=O)(Nc1cc(F)cc2cccnc12)c1ccc(C(F)(F)F)cc1 1255927226 XCFUXQYEWNHANX-UHFFFAOYSA-N 370.327 4.194 0 1 FIAF CC=C(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C[C@@H]2Cc3occ(C)c3C[C@@]2(C)[C@H]1C 2356422915 XYKLXGAMSCMNFT-MVYAIHECSA-N 374.477 4.159 0 1 FIAF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CNC(C)C)C=C3C)[nH]c2n1 2356559450 DBDBZDUDXMZOSU-KSZLIROESA-N 370.541 4.362 0 1 FIAF Fc1ccc(-c2[nH]ncc2CN(CC2CCC2)C[C@H]2CCCO2)c(F)c1 12447041 BWFHIEAKPHCOAC-QGZVFWFLSA-N 361.436 4.136 0 3 FIAF CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]2C(=O)O 4179482 QPQWEZDEJJESTO-XNISGKROSA-N 367.367 4.337 0 1 FIAF Cc1ccc(=O)n(-c2ccc(OCCCCCN3CCCCC3)cc2)c1 103233159 IGUMOCVJRAENHQ-UHFFFAOYSA-N 354.494 4.181 0 1 FIAF COc1ccc(S(=O)(=O)Oc2ccccc2/C=C/c2ccncc2)cc1 29399521 YNBJCGRXGFHMDL-VOTSOKGWSA-N 367.426 4.028 0 1 FIAF CCN(CC)Cc1ccc([C@@H](c2cccc(Cl)c2)n2cncn2)cc1 29135358 ASDKLHHSYYTKSI-FQEVSTJZSA-N 354.885 4.411 0 1 FIAF Oc1ccc2c(c1)[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 27108650 OAOLZFMKVKHDBF-YADHBBJMSA-O 356.401 4.290 0 1 FIAF CC(C)(C)C(=O)OCCNc1nc(-c2cccs2)nc2ccccc12 36381492 CWBDHPBJMCSXRG-UHFFFAOYSA-N 355.463 4.360 0 1 FIAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]3CC[C@H](C(=O)c4ccc[nH]4)[C@]3(C)CC[C@H]12 34315781 VZUZYJRNXGEFQV-ONYKKKHRSA-N 366.505 4.111 0 1 FIAF COc1cc2oc(=O)cc(-c3ccc4occc4c3)c2c(OC)c1OC 42889795 RDLLBBVOICLRCI-UHFFFAOYSA-N 352.342 4.232 0 1 FIAF OCCCCCCN=c1cc(-c2ccc3c(c2)OCO3)[nH]c2ccccc12 1911583048 MJXWPWYXCVTZGQ-UHFFFAOYSA-N 364.445 4.017 0 1 FIAF COc1ccccc1Oc1ccc(N)c(C(=O)Nc2nc(C)cs2)c1 40914238 SNFSLWVREUYDEZ-UHFFFAOYSA-N 355.419 4.087 0 1 FIAF Cc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccco2)oc1C 82165848 LZGYIJDPBQNWFM-CHWSQXEVSA-N 352.438 4.491 0 1 FIAF COc1cc([C@@H]2CC(c3ccccc3)=NN2C(C)=O)cc2[nH]c(=S)oc12 96934821 MTWMZUIDZHSMTM-INIZCTEOSA-N 367.430 4.197 0 1 FIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(Cl)c2)n1 142144965 ALEFKGPDWCALSQ-SWLSCSKDSA-N 360.845 4.284 0 1 FIAF CCOc1cccc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)c1 95755615 MOLWXFXCPUGLKS-UHFFFAOYSA-N 358.419 4.275 0 1 FIAF COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3C)c2=O)cc1 95560640 SGPSTHXTGJWOBN-UHFFFAOYSA-N 356.809 4.304 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](O)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 34587400 IEEUFWOXVCPGAH-LXGBQXIBSA-N 374.521 4.057 0 1 FIAF biogenic O=C(CCCCCOc1cccc(Br)c1)Nc1ccncc1 299863581 LDHJYYOMBJANQP-UHFFFAOYSA-N 363.255 4.422 0 1 FIAF O=C1c2ccccc2C(=O)N1CCCCCCNCc1cccc(Cl)c1 299860933 JZLIAEXQDTVQDQ-UHFFFAOYSA-N 370.880 4.286 0 1 FIAF CN1c2ccc(Cl)cc2CCc2cc(-c3cccc(C(N)=O)n3)ccc21 473124625 NOHUFCHXXKZLQG-UHFFFAOYSA-N 363.848 4.367 0 1 FIAF CO[C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 473233269 LQIBQKJUPJGWMQ-FXALBQAHSA-N 371.521 4.038 0 1 FIAF Clc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1 653919138 VURCFSOLNXCMTN-UHFFFAOYSA-N 350.809 4.066 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)ncc2[nH]1 586962444 FDFOJHHCHPZNHP-JTQLQIEISA-N 369.372 4.024 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(Br)ccc(C)c31)O2 587374595 ZJNLGJZVEJWNQB-IBGZPJMESA-N 372.262 4.455 0 1 FIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C)c(C)c2[nH]1 586974619 WINFWPQVJGCBPX-GOSISDBHSA-N 353.491 4.290 0 1 FIAF Sc1nc(S)c2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2n1 587053619 GQDFDKBKPDCTBS-SNAWJCMRSA-N 355.275 4.408 0 1 FIAF CCOc1nc2sccn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587538141 NWFNPYCOEIQUED-MRXNPFEDSA-N 368.458 4.380 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3cc(C)c(F)cc3[nH]2)cc1 586970216 IOCDEQLHKRCUFW-UHFFFAOYSA-N 357.454 4.233 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)C(F)F)N1 587708167 XZISKMJSTOUMSE-QTTZVWFDSA-N 358.148 4.238 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc4ccccc4nc1Cl)[C@@H](C2)C3=O 587422285 SRAGJIAAQNXVSV-DJJJIMSYSA-N 351.789 4.386 0 1 FIAF Cc1oc(CCC(=O)O)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532775 NUFBPMGDJGPHLM-QFIPXVFZSA-N 368.429 4.365 0 1 FIAF COc1cc(-c2nc3c(C)c(Br)cnc3[nH]2)cc(Cl)c1O 587045616 ABIWGMUJCLXWOR-UHFFFAOYSA-N 368.618 4.063 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Cn3ccnc3)c1)CC2=O 587469420 DXSBODCHYAPIMM-NRFANRHFSA-N 362.429 4.296 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2C=O)N1 587847007 VVLSLXVVYRFGKI-VXJOIVPMSA-N 354.244 4.086 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2ccc(F)c(F)c2[nH]1)C(F)(F)F 587091887 HLCCOELRKXHDDT-MRXNPFEDSA-N 371.309 4.004 0 1 FIAF CC(C)Oc1cc2nc(CCOCC3CC3)[nH]c2cc1Br 587783375 ADUQLTWVMZHHRY-UHFFFAOYSA-N 353.260 4.082 0 1 FIAF CC(C)c1nn(C)c2c1[C@](C)(c1c(F)cccc1C(F)(F)F)NCC2 962907702 IIMHZOXPWDFEIW-KRWDZBQOSA-N 355.379 4.111 0 1 FIAF C=C/C(=C\[C@@]1(C)CCCC(C)(C)C1)[C@@H]1[C@@H](OC(C)=O)O[C@@H]2OC(=O)C[C@@H]21 14714398 LKUHGEWOMPMDBN-JVTPXNPRSA-N 362.466 4.130 0 1 FIAF COc1ccc(-c2cccc(-c3c(OC)cccc3OC)n2)c(OC)c1 169312284 YMBUXZNKVMLJRN-UHFFFAOYSA-N 351.402 4.450 0 1 FIAF CC(C)c1ccc(C(=O)C[C@@H](C(=O)NC2CCCCC2)n2ccnc2)cc1 169333781 YDXAQNHUFBFXQQ-FQEVSTJZSA-N 367.493 4.270 0 1 FIAF CCCCC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164760295 DDXPWYULXFHPSM-UHFFFAOYSA-N 360.421 4.144 0 1 FIAF CC(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2F)cc1 1857574058 VZGWSSXOHYEXDI-HXUWFJFHSA-N 351.425 4.144 0 1 FIAF C=Cc1c(-c2ccccc2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1N 28655252 OVOPRKVIVYHRLD-UHFFFAOYSA-N 357.335 4.144 0 1 FIAF CC[C@H](c1ccc(O)cc1)[C@@H](CSCCN1CC1)c1ccc(O)cc1 27986896 UFHXXINHFMZSFA-RTWAWAEBSA-N 357.519 4.424 0 1 FIAF NC(=O)Nc1cc(-c2ccc(Oc3ccccc3)cc2)sc1C(=O)O 103288728 ZKLBVMDNXRMPDX-UHFFFAOYSA-N 354.387 4.396 0 1 FIAF COc1ccc(OC)c([C@@H]2CC(c3ccccn3)=NN2c2ccccc2)c1 103201302 UVBGXHLREVDGRJ-NRFANRHFSA-N 359.429 4.455 0 1 FIAF CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccc(O)cc1 103175637 FZCBKGWRPQYFJP-GOSISDBHSA-N 366.442 4.252 0 1 FIAF COc1ccc(Oc2c(Cl)cnn(-c3cc(C)ccc3C)c2=O)cc1 66129477 UTDQOOLAZKXLEK-UHFFFAOYSA-N 356.809 4.304 0 1 FIAF Oc1ccc[n+]2c1[C@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 100722123 CDYZVJGLXZQGLG-TZIWHRDSSA-O 356.401 4.290 0 1 FIAF CN(CCCC(=O)c1ccc(F)cc1)CC[C@@H](O)c1ccc(Cl)cc1 28522826 LUVUDOULHXQXHX-HXUWFJFHSA-N 363.860 4.498 0 1 FIAF Oc1cccc(C[C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)c1 29476595 TUUCYEIFPUAUMG-RUZDIDTESA-N 372.512 4.494 0 1 FIAF CN(C)C[C@H]1C[C@H]2c3ccccc3Cc3ccc(Br)cc3N2O1 26508253 BGGSRICBOHRXMJ-APWZRJJASA-N 373.294 4.167 0 1 FIAF CC(C)c1cccnc1CN(CCCCN)[C@H]1CCCc2cccnc21 66077027 BJSHYURXVFLUKD-NRFANRHFSA-N 352.526 4.219 0 1 FIAF Cc1ccc(-c2ncnc3c2ncn3C[C@@H]2C[C@H](CO)c3ccccc32)cc1 28636618 JGOQLRWUEUFNII-ZWKOTPCHSA-N 370.456 4.065 0 1 FIAF CC[C@H](C)C=CC=C(C)C[C@H](C)C=CC=C[C@@H](O)[C@@]1(C)CC(=O)C(=O)O1 2356865429 WKSOWWZVDAHHAD-VTAPXXACSA-N 360.494 4.309 0 1 FIAF Cc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)COC2 219024208 XGFXCOJGYNSRMF-UHFFFAOYSA-N 356.429 4.371 0 1 FIAF O=C1NCCc2[nH]c(-c3cccc4ccc(NC5CCCCC5)nc34)cc21 222351713 CNSKFROODZMZLE-UHFFFAOYSA-N 360.461 4.260 0 1 FIAF O=C(CCc1ccccc1)c1ccc(OC(F)F)c(O[C@@H]2CCOC2)c1 40860160 CPRRZYUTSOZMLR-MRXNPFEDSA-N 362.372 4.271 0 1 FIAF Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NC3CCCCC3)c2)s1 95552607 MARQGLPMQPIAJP-UHFFFAOYSA-N 358.463 4.244 0 1 FIAF COc1ccc(CCCN2CCN(C3CCCCC3)CC2)c2c1CCCC2 96928385 CKDDYGKJEYHWQQ-UHFFFAOYSA-N 370.581 4.457 0 1 FIAF CCCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccncc2)s1 95559962 NLNPEACXOQCIHY-UHFFFAOYSA-N 368.462 4.056 0 1 FIAF Cc1cccc(NC(=O)c2ccc(OCCCN3CCCCC3)cc2O)c1 261136269 MCMVFLOVLROIPK-UHFFFAOYSA-N 368.477 4.208 0 1 FIAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2nc(C)c(C)c2C)CC1 261102730 GSQGCFTWOSTTHY-SAABIXHNSA-N 374.916 4.154 0 1 FIAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587402202 ARHLOZXNMJHNPB-BSLALVQMSA-N 351.446 4.264 0 1 FIAF O=C1C[C@](c2ccccc2)([C@H]2C[C@@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587528969 HELJVXWCWOVRDX-YDHSSHFGSA-N 362.425 4.147 0 1 FIAF N[C@H](Cc1nc2ccc3ncccc3c2[nH]1)c1ccc(Br)cc1 586997785 UWWCCATUZFKYIV-CQSZACIVSA-N 367.250 4.116 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H]1CCCN1C(=O)OC(C)(C)C)O2 587396143 PRXWQESQGIBWQB-SZNDQCEHSA-N 374.481 4.091 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CCOC1)CC2 587610170 PJKOURDBKILHIE-XTWGIRIWSA-N 366.413 4.073 0 1 FIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 587938594 XTMZQSMLJIJCOS-QFYYESIMSA-N 350.340 4.427 0 1 FIAF Cc1ccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc2c1 587772176 DTZWBXGARMGNSG-BBATYDOGSA-N 374.257 4.168 0 1 FIAF COc1cc2c3c(c1)O[C@H](CCc1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587424143 XPFWSIIUBCIBKC-HZPDHXFCSA-N 362.347 4.463 0 1 FIAF Cc1ccc(S(=O)(=O)[C@H]2CCCc3c2nc2cccc4c2c3CC4)cc1 587217360 VEYOHMVFRQGVMS-FQEVSTJZSA-N 363.482 4.493 0 1 FIAF Clc1ccc(-n2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)nn2)cc1 587076824 VDSXMZMOOOLPEG-UHFFFAOYSA-N 365.611 4.166 0 1 FIAF Cc1nc(O)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987461 BFKUQUVWEXGBJK-UHFFFAOYSA-N 354.365 4.228 0 1 FIAF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccncc2)n1 587516801 WQMMJPYPTRYGJI-HXUWFJFHSA-N 359.429 4.067 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3sc(=N)[nH]c13)CC2=O 587493818 GTVIKMUPHZIOPZ-HXUWFJFHSA-N 368.458 4.248 0 1 FIAF O=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)ccc2O1 587497460 AWRZAKUAOMUPCG-OAQYLSRUSA-N 368.816 4.389 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccncc23)N1 587801688 HTJDFOYKWHXKTG-XYZCENFISA-N 360.230 4.088 0 1 FIAF COCOc1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525735 RQHIATRZAFVYII-JOCHJYFZSA-N 352.430 4.429 0 1 FIAF FC(F)(F)CSc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccn1 587093444 MPDGTEBHMWIFAP-UHFFFAOYSA-N 367.352 4.051 0 1 FIAF CC[C@@H](C)c1ccc2[nH]c(-c3cn(C)nc3C)c(N3CCOCC3)c2c1 587643995 YLLRZHWOULOBON-CQSZACIVSA-N 352.482 4.227 0 1 FIAF O=c1c([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc2cccc3c2n1CC3 963122435 OGUSQBYSKZAFTK-SFHVURJKSA-N 371.267 4.100 0 1 FIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCCC1 13449222 PZKHOISBMZGAFR-INIZCTEOSA-N 369.336 4.403 0 1 FIAF COc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(F)ccc32)cc1 13826781 HGJHCDQVMUEIIK-UHFFFAOYSA-N 370.424 4.276 0 1 FIAF CO/C(O)=C1/C(C)=NC(C)=C(C(=O)OCCSc2ccccc2)[C@@H]1C 19632949 DQLTVNNYTKSQMI-XCHVRBFASA-N 361.463 4.123 0 1 FIAF COc1ccc(N(C(=O)c2ccc(F)cc2)C2=C[C@@H]3CC[C@@H](C2)N3C)cc1 169305121 LHMXSGJHEUTTLE-OALUTQOASA-N 366.436 4.232 0 1 FIAF COc1ccc(-c2cnc3cnc(-c4cccc(NC(C)=O)c4)cn23)cc1 1857590182 DPDHLPVGAINJBP-UHFFFAOYSA-N 358.401 4.030 0 1 FIAF O=Cc1cccc(OCc2nnc(-c3cc4c(cn3)[nH]c3ccccc34)o2)c1 1857631728 LTRHZCYUYFXBFY-UHFFFAOYSA-N 370.368 4.158 0 1 FIAF CC(=O)Nc1ccc([C@@H](Nc2cccc3ccccc23)P(=O)(O)O)cc1 1857655031 DCDIYCNYBVLTJK-IBGZPJMESA-N 370.345 4.087 0 1 FIAF O[C@@]1(Cc2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc2C2=NCCN21 34821412 UKUPAGWAVJKRQW-KRWDZBQOSA-N 367.663 4.110 0 1 FIAF Cc1noc(C)c1COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 18270627 CMYCIQGOXFZHBA-ZPVISIIKSA-N 368.271 4.069 0 1 FIAF Cc1cccc(C)c1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O 36161257 LGOONDOHFBOWPN-UHFFFAOYSA-N 356.381 4.194 0 1 FIAF CC12C[C@@](C)(C(=O)Nc3nncs3)C(c3ccccc31)c1ccccc12 40405599 ICFLHQGITDWVMH-FBPXKMNZSA-N 361.470 4.338 0 1 FIAF Cc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccco2)o1 82165285 DIIAPNPZKDXLHN-UHFFFAOYSA-N 364.380 4.494 0 1 FIAF CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(C)cc1 103266110 DQBXVXBINMXQBR-UHFFFAOYSA-N 350.506 4.369 0 1 FIAF CCC1(CC)C[C@H](CCOC(=O)c2ccc(Br)cc2)OC1=O 103286425 JFWIGHCRTBMZKM-AWEZNQCLSA-N 369.255 4.118 0 1 FIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 103918732 PLULYUUDDLRXDH-XOBRGWDASA-N 371.433 4.118 0 1 FIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1C#N 117381987 KOBRJNRHIIDYMK-GOSISDBHSA-N 361.401 4.042 0 1 FIAF Clc1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1 117612505 VCUPWPIHQVKLRI-UHFFFAOYSA-N 355.854 4.161 0 1 FIAF O=C(Nc1ccc(O)cc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167472826 BZIIQEHEROWYQO-UHFFFAOYSA-N 373.412 4.192 0 1 FIAF C[C@H](C[18F])OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N(C)C2 169292585 ZSLWUVZDXDAKIP-KXAKKSKRSA-N 352.868 4.055 0 1 FIAF O=C1[C@@H]2CCCC[C@H]2[C@@H](O)N1c1cc(OC2CCCC2)c(Cl)cc1F 169305722 WVRMSBDYZOMFDZ-SNUQEOBHSA-N 367.848 4.272 0 1 FIAF Cc1ccc(Nc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1 169343543 NRNVQNBPTHAHJM-UHFFFAOYSA-N 360.413 4.306 0 1 FIAF CN1C[C@](O)(c2ccc3c(c2)Nc2ccccc2S3)O[C@H]2CCCC[C@@H]21 219019187 RKNYLNHGFOONQP-BBTUJRGHSA-N 368.502 4.313 0 1 FIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@]3(C)CC)nc2c1 586888441 JHFIAIIUHSRZJA-QFYYESIMSA-N 351.244 4.406 0 1 FIAF Clc1cnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1Cl 587042686 VYAIHHHKSKNHDR-RYUDHWBXSA-N 365.289 4.211 0 1 FIAF Nc1cc(F)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1N 587136408 PPVBOCKILKEJRU-UHFFFAOYSA-N 360.698 4.085 0 1 FIAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3ncnc(Cl)c3[nH]2)cc1 587158164 KXCRBDJCQYAHDC-UHFFFAOYSA-N 352.756 4.292 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccc(O)cc3)n1)O2 587412724 KFJDMJUAXKMDPH-QGZVFWFLSA-N 352.415 4.113 0 1 FIAF COc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C(F)(F)F)c1 587420374 KNBQBKKNRGQKJI-KDOFPFPSSA-N 364.319 4.211 0 1 FIAF CCCC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587482504 OUIHXOVANFQMRL-IIBYNOLFSA-N 362.466 4.438 0 1 FIAF CCOC(=O)C1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CCCC1 587527219 WTVSGADMRRLZDY-OAQYLSRUSA-N 356.462 4.413 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccccc2n1 587589174 VYCSGRALQHTAQB-UGKGYDQZSA-N 370.364 4.038 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc(Cl)c2)N1 587702542 DOUJUSGWWCTTHI-FVMDXXJSSA-N 369.665 4.434 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2cccc(F)c2)N1 587728966 GFNBTSLWWBZOED-DYZYQPBXSA-N 368.221 4.382 0 1 FIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1N 587751656 YOXANCALSXHYTK-ZMZPIMSZSA-N 363.274 4.277 0 1 FIAF Cc1cc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587795491 XONKZJLFAAMOIF-DIFFPNOSSA-N 351.263 4.331 0 1 FIAF CCOC1=C[C@@]2(CCC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587802682 TWCAPGBNMPIYIB-PIGZYNQJSA-N 354.263 4.422 0 1 FIAF CC(=O)C[C@]1(C2(C)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587814055 FSMHORBYOJMTOO-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2C=O)N1 587844410 NSTHZFLCGQLUPT-ANRSDYALSA-N 354.244 4.086 0 1 FIAF CCSC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587848555 XNCYAQAQZKCPHN-PSLIRLAXSA-N 360.292 4.007 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccccc1 587870162 BCGOFLZJISXPMX-AWEZNQCLSA-N 354.381 4.196 0 1 FIAF CNc1nc(CCc2cccc(Cl)c2)nc2sc(C(=O)O)c(C)c12 1772579405 RIBZEOVQNSSZKS-UHFFFAOYSA-N 361.854 4.178 0 1 FIAF O=C(Nc1ccccc1)c1ccc(C2(CNCc3cccnc3)CC2)cc1 1857603642 AZUVWJVIFRQABG-UHFFFAOYSA-N 357.457 4.155 0 1 FIAF CCC=CC[C@@H](O)C=CC=CC=C[C@H](O)CC=CCC=CCCC(=O)O 2356464800 CRDZYJSQHCXHEG-NHCUHLMSSA-N 360.494 4.491 0 1 FIAF FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccccc4)n23)cc1 2382240943 UTIUAZFJLHTVFG-UHFFFAOYSA-N 354.316 4.185 0 1 FIAF CC(C)c1cccc(-c2ccc3nnc(-c4cnc5[nH]ncc5c4)n3c2)c1 2382244000 CCFZWBLELFOZOI-UHFFFAOYSA-N 354.417 4.458 0 1 FIAF COc1cc(F)ccc1-c1csc([C@@](C)(O)c2ccc(F)c(F)c2)n1 61928405 QKTRUHMDQCZELI-SFHVURJKSA-N 365.376 4.492 0 3 FIAF CN1CCC[C@]2(CCN(Cc3ccc(-c4ccccc4Cl)o3)C2)C1=O 12195721 XWNRFBZPBKXWOT-HXUWFJFHSA-N 358.869 4.044 0 1 FIAF O=C1c2c(O)cccc2Cc2ccc(Cc3ccc(Cl)cc3)c(O)c21 13736911 WBVUMKYZQRLBEQ-UHFFFAOYSA-N 350.801 4.477 0 1 FIAF Oc1cccc([C@@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)c1 22939097 HZZCYHBEEHSRRI-XMMPIXPASA-N 358.485 4.299 0 1 FIAF COC(=O)c1ccc(C(=O)Oc2ccc3c(c2)OC(C)(C)C=C3C)cc1 25972166 MJCVHGXCUYYEPY-UHFFFAOYSA-N 352.386 4.267 0 1 FIAF CN[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 28126157 LBHJZTQANJXNGX-JOCHJYFZSA-N 371.484 4.404 0 1 FIAF CCn1c2ccccc2c2cc(C(=O)c3c(OC)ccnc3OC)ccc21 28822250 LBMPDFFMHBIMST-UHFFFAOYSA-N 360.413 4.458 0 1 FIAF CC(C)(C)NC(=O)/C(=C\Sc1ccccc1)c1ccc2c(c1)OCO2 31904809 RITVHMFIZGMKDO-VBKFSLOCSA-N 355.459 4.463 0 1 FIAF O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cccnc1 40934019 OKGSTLOYEORRHK-UHFFFAOYSA-N 365.396 4.221 0 1 FIAF CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 58576520 PHIMDBFVULXZSR-UHFFFAOYSA-N 350.462 4.149 0 1 FIAF O=C1Nc2c(ccc(F)c2F)[C@@]1(Cc1ccccc1)c1ccc(O)cc1 64548959 URTRRDFDYQKALW-OAQYLSRUSA-N 351.352 4.151 0 1 FIAF CNCc1csc(/C=N/Nc2ncnc3sc([C@H](C)C(C)C)cc23)n1 72317948 YGPVQSQZKGOTRY-IEAJRBCSSA-N 374.539 4.073 0 1 FIAF COc1ccc(-n2nc(-c3ccncc3)c(-c3ccc(F)cc3)c2N)cc1 84604183 IWHNLQIOFUKXPQ-UHFFFAOYSA-N 360.392 4.331 0 1 FIAF O[C@H](CN1CCCCC1)[C@H]1Oc2ccccc2[C@@H]1CCc1ccccc1 96902511 WXYWDEZLAOBARR-XJUOHMSHSA-N 351.490 4.011 0 1 FIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(C)c(Br)cnc3[nH]2)cc1 586892293 WJUWCFVEWKKCIK-MEBBXXQBSA-N 360.255 4.174 0 1 FIAF CCCCc1cc(=O)oc2cc(OCc3nc4cccc(O)c4[nH]3)ccc12 586917965 GMGLGZLJJIIMSY-UHFFFAOYSA-N 364.401 4.297 0 1 FIAF CC(C)Oc1cc2nc([C@H](N)c3ccsc3)[nH]c2cc1Br 587026533 YZNUCTAUYMDHKF-CQSZACIVSA-N 366.284 4.222 0 1 FIAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Cl)cc2[nH]1 587064845 HNUMEBFVXGCNEU-UHFFFAOYSA-N 351.189 4.270 0 1 FIAF Cc1onc(-c2nc3c(C)cncc3[nH]2)c1COc1ccc(Cl)cc1 587074999 CYFUXONUDRWLTA-UHFFFAOYSA-N 354.797 4.462 0 1 FIAF Cc1c(Br)ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587121897 AJIHJSTZIKMLOI-UHFFFAOYSA-N 368.181 4.340 0 1 FIAF Fc1ccc(-n2nnc(-c3nc4ccc(F)c(F)c4[nH]3)c2C2CC2)cc1 587169211 XKRMSPABYKUWDM-UHFFFAOYSA-N 355.323 4.105 0 1 FIAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cc(F)c3[nH]1)O2 587174102 MFQGPTMIZVXENO-ZDUSSCGKSA-N 351.150 4.280 0 1 FIAF CC(C)CCOc1cc2nc(C[C@H](C)N(C)C)[nH]c2cc1Br 587189896 FAMJJTBBIIMODC-LBPRGKRZSA-N 368.319 4.243 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 587229601 IVXAMIRKPXEMMC-UHFFFAOYSA-N 360.417 4.254 0 1 FIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cn1 587247530 NRUWDHLNAWZVNO-UHFFFAOYSA-N 373.254 4.372 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cccnc32)[C@@H]1c1ccc(F)cc1 587346856 NUMXUHYZTFCJKB-KNQAVFIVSA-N 361.372 4.127 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc(Br)c1)O2 587384486 FJDFWURHQGDBMH-OAHLLOKOSA-N 350.187 4.185 0 1 FIAF Cc1ccc2c(c1)CCCN2[C@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397982 DDKSBLPFXMNXIL-MWTRTKDXSA-N 364.489 4.451 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1N1CCCCCC1)[C@@H](C2)C3=O 587440712 BRIUUUFQAUSALH-JLMWRMLUSA-N 355.478 4.000 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)c3ccccc31)CC2=O 587490045 QCYMATCNNNMYDO-RCDICMHDSA-N 366.413 4.167 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(F)c1 587567730 BMTMBKHSESTBNU-YLJYHZDGSA-N 354.308 4.373 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCCCCC2)N1 587764686 GTUISCBUOFMPCP-SCLBCKFNSA-N 369.322 4.214 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCO[C@@H]1C(C)(C)C 587870779 RIOYKNWTKMJWKG-YJBOKZPZSA-N 360.429 4.179 0 1 FIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587938725 ZHBUJZGUGCSHKP-QLJPJBMISA-N 366.339 4.307 0 1 FIAF CCOC(=O)[C@@H](COC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 653737713 GVYQRFCHUWGPRU-INIZCTEOSA-N 366.335 4.209 0 1 FIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccsc2)N1 963201941 UOOLBVSBZRFSKT-OLZOCXBDSA-N 361.772 4.109 0 1 FIAF CCCCCC1=CCC[C@@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963230985 RJCNWEPYYGMVHE-IFMALSPDSA-N 350.462 4.330 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1cc2cccc(F)c2o1 963633446 IEJCBDSDMVMUIB-QKVFXAPYSA-N 355.409 4.387 0 1 FIAF Clc1ccc(-c2cnc([C@H]3COCCN3C3CCCCC3)[nH]2)s1 2356301807 FTXILANNUIASJD-CQSZACIVSA-N 351.903 4.498 0 1 FIAF COc1ccc2c(c1)CN(Cc1ccccc1Cl)CC[C@@H]1COC(=O)N21 2356496374 HHYMKUDTEKOQHI-MRXNPFEDSA-N 372.852 4.080 0 1 FIAF C=CC(C)=CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)[C@@H](OC(C)=O)[C@@]1(C)O 2356544214 IEAUFJOLHRNYMW-HWQAQQKDSA-N 364.526 4.015 0 1 FIAF Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)NC3CCCCC3)o2)cc1 6895762 IYVUEEXMNSPTHF-VWLOTQADSA-N 359.491 4.099 0 3 FIAF CCCNc1nc(-c2cc(C(=O)Nc3ccccc3)on2)cc(C(C)C)n1 12727050 SNFMUVGSVHYBOC-UHFFFAOYSA-N 365.437 4.329 0 3 FIAF COc1ccc(-c2csc([C@](C)(O)c3cccc(F)c3)n2)cc1OC 61926999 VAVSGCKDKZDAOA-LJQANCHMSA-N 359.422 4.222 0 3 FIAF COc1ccc(/C=C/C(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)cc1 28653936 ZNDMSFIIKSPGLP-QARGNGGGSA-N 372.896 4.171 0 1 FIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccs2)C2=C(O)CCCC2=N1 103912849 VZOPGLBSALAYRG-YJYMSZOUSA-N 373.474 4.279 0 1 FIAF O=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)N1CCOCC1 28826579 UPPMSRKAZZTSHB-UHFFFAOYSA-N 369.204 4.012 0 1 FIAF CCCC[C@]12C[C@]1(C(=O)Nc1ccccn1)C(=O)Nc1ccc(Cl)cc12 100064348 OGMOFIAVFJQDAR-WOJBJXKFSA-N 369.852 4.144 0 1 FIAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@H]2C(=O)CC[C@@H](C)[C@]12C 2356619284 ZHYSGQLQAZCSGC-RRSYIIAMSA-N 360.450 4.197 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4cccc(F)c4)cc3)[nH]c2c1 64528083 YCGOMZIVHHMKBQ-UHFFFAOYSA-N 366.417 4.440 0 1 FIAF CCOC(=O)Nc1ccc(N2CCN(c3ccccc3Cl)CC2)cc1 40892136 SXMKULXYHKVJFG-UHFFFAOYSA-N 359.857 4.235 0 1 FIAF CCc1cnc(-c2cnc(NCCOC)nc2-c2ccccc2F)s1 82176107 ATKQYCUDQOWOSR-UHFFFAOYSA-N 358.442 4.027 0 1 FIAF COC(/C=C/C(N)=O)=C/C(C)=C/[C@@H]1CCCc2oc3ccc(O)cc3c21 238777753 YPPBKUTVOZRTRY-NNNGXDHXSA-N 353.418 4.076 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3c(Br)ccnc3[nH]1)CC2 587934314 JBMDBDHACWEOQY-NSHDSACASA-N 358.239 4.002 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H]1CCCNC1)CC2=O 587487342 VGCUPYDRGVIHBK-HXOBKFHXSA-N 365.473 4.205 0 1 FIAF O=c1ccc2cc(-c3nc4c(F)c(Br)ccc4[nH]3)ccc2o1 586918628 PPHUYMZYKRUDMF-UHFFFAOYSA-N 359.154 4.238 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(F)c2)N1 587730171 IWPAHMXXVLTTBI-ZKANADHPSA-N 356.185 4.490 0 1 FIAF CCOc1ccccc1-c1cccc(-c2nc3c(C(=O)OC)ccnc3[nH]2)c1 587780176 MRRWUMVLHRYPCM-UHFFFAOYSA-N 373.412 4.477 0 1 FIAF C[C@]1(CCc2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619723 YYQYWUQZTUMISD-GHTZIAJQSA-N 350.370 4.338 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(O)nc1-c1ccccc1)CC2=O 587483562 MYNXZLRVUIJGHA-QGZVFWFLSA-N 364.401 4.147 0 1 FIAF CCOC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1NC(=O)OC(C)(C)C 587630800 DAEBDWNRKQCCNO-UHFFFAOYSA-N 370.808 4.413 0 1 FIAF O=C(/C=C\c1nc2cc(Cl)c(F)c(F)c2[nH]1)Nc1ccc(F)cc1 587166392 BWBNKSIUEBMJLT-WAYWQWQTSA-N 351.715 4.286 0 1 FIAF COc1ccc(OC(F)(F)F)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587383129 QVVIZUGPLJPOKV-MRXNPFEDSA-N 367.323 4.191 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(=C/N(C)C)c1cccc(Cl)c1)O2 587379671 VUDIJGJJFIZBTK-SKTWIKFTSA-N 356.853 4.167 0 1 FIAF COc1cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2cc1C 587061229 RRLPHDJPTXOJKA-UHFFFAOYSA-N 365.824 4.070 0 1 FIAF Clc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2n1 587030026 VVSDJGWWBPIUCG-UHFFFAOYSA-N 366.837 4.133 0 1 FIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(C(=O)O)c2[nH]1 587044476 CXDAWYXMZJWANR-UHFFFAOYSA-N 367.188 4.252 0 1 FIAF Cc1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587004421 UZRHUWCZUWRWDP-LLVKDONJSA-N 371.234 4.269 0 1 FIAF O=C(O)c1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1F 586894913 GSQLTMRTXWCMET-UHFFFAOYSA-N 362.360 4.227 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2ncccc12 587585929 IQJSKUYWUQDTFF-RXVVDRJESA-N 370.364 4.038 0 1 FIAF Cc1c(-c2nc3cc(Cl)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029611 QWPNCPIUBFXUAP-UHFFFAOYSA-N 356.838 4.366 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)OC2(C)C)N1 587829374 CABDZVWLKKRRNH-QGHHPUGFSA-N 356.279 4.295 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(OC)c(OC)c1N 963227675 KFZHZKKOYQJEIP-IVZQSRNASA-N 354.494 4.206 0 1 FIAF CCCOc1cccc2c1C(=O)OC2=C(Br)Br 1857748397 NFOIIRRIBLIGAB-UHFFFAOYSA-N 362.017 4.062 0 1 FIAF Cc1c(Cl)ccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C 141545812 HAJMGMXAZZMTQV-UHFFFAOYSA-N 358.250 4.321 0 1 FIAF Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccccn2)n1 1772604129 HMPJQPSIJCWFFX-UHFFFAOYSA-N 352.467 4.402 0 1 FIAF Cc1n(Cc2ccc3ccccc3n2)cc[n+]1Cc1ccc2ccccc2n1 1772641293 NGNIXZWHRLAXQH-UHFFFAOYSA-N 365.460 4.277 0 1 FIAF O=C(O)COc1ccc(OCc2ccccc2SC(F)(F)F)cc1 1772652330 IUVYUNWSUUYMFV-UHFFFAOYSA-N 358.337 4.341 0 1 FIAF CC[C@@H](C)NC(=O)C1CCN(Cc2nc(-c3ccccc3C)oc2C)CC1 5043325 GSMNHAHMWFBAIK-MRXNPFEDSA-N 369.509 4.085 0 1 FIAF COc1cccc(C(=O)N[C@@H](CCN(C)C)c2ccc(Cl)cc2)c1C 13684670 GPINFPMRDYFGDG-SFHVURJKSA-N 360.885 4.080 0 1 FIAF CC(C)Cc1cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2n1 13833440 SMFRUGDEMNDDLK-JWTNVVGKSA-N 352.478 4.215 0 1 FIAF COc1cccc2c1[C@@H](OC)O[C@@]21Oc2cc(C)cc3ccc(O)c1c23 2356327525 CDINCUXIOCIGMM-SFTDATJTSA-N 350.370 4.131 0 1 FIAF c1ccc(-c2cc(NCCCn3ccnc3)n3c(n2)nc2ccccc23)cc1 6746811 ZOARQQFRXNIQOS-UHFFFAOYSA-N 368.444 4.248 0 1 FIAF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(C)cc1 64274572 AHQIVJMZARILIG-GOSISDBHSA-N 357.251 4.455 0 1 FIAF O=C(NC1CCN(C/C=C/c2ccccc2)CC1)c1cccc(Cl)c1 28457854 WEAKPTBHAGSKSO-VMPITWQZSA-N 354.881 4.248 0 1 FIAF COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(O)c(OC)c2)ccc1O 14646476 GFMUBOWRQZASFJ-UONOGXRCSA-N 360.450 4.181 0 1 FIAF biogenic,in-vitro CC(C)=CCCC1=CC[C@H](C(=O)NCCC(=O)O)[C@@H](c2ccccc2)C1 1911582132 HHSIFRVTFVPXEK-VQTJNVASSA-N 355.478 4.444 0 1 FIAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1 82132305 AMCBNTWQRJYNIQ-KXBFYZLASA-N 364.493 4.274 0 1 FIAF COc1ccc(Nc2nnc(-c3c[nH]c4cc(OC)ccc34)s2)cc1 84712795 FMUODEGOENKLMJ-UHFFFAOYSA-N 352.419 4.447 0 1 FIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4Nc5oncc5C[C@]4(C)[C@@H]3CC[C@]12C 195412635 HPKLKMDASAMZLY-FTHRUDGRSA-N 358.482 4.186 0 1 FIAF CCCCCNc1ncnc2c1nc(CC(C)C)n2CC[C@@H]1CCCN1C 82222742 NVDDRACZEPFSBA-KRWDZBQOSA-N 372.561 4.111 0 1 FIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc4ccccc4cc2O[C@H]31 220401073 JRXWYOVMKYBWJX-HSZRJFAPSA-N 370.408 4.419 0 1 FIAF CC1(C)CCC[C@@]2(C)O[C@@H]2CC/C(C(=O)O)=C\[C@H]1OC(=O)c1ccccc1 238743223 PHIJZXKJBLHDRY-PJFQSYJASA-N 372.461 4.371 0 1 FIAF COc1ccc(CCc2cccc3c2Nc2ccccc2S3(=O)=O)cc1 95595276 LCZXMHNWOQQFBC-UHFFFAOYSA-N 365.454 4.370 0 1 FIAF CCOC(=O)[C@@H]1[C@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@H]2CC[C@H]1N2C 253684989 HIFPRIPRHSYXGH-PLACYPQZSA-N 366.505 4.130 0 1 FIAF O=C(CN1CCC2(CCc3ccccc32)CC1)Nc1ccc(Cl)cc1 2382242961 GKWPJAYVMXQLCZ-UHFFFAOYSA-N 354.881 4.259 0 1 FIAF O=C1Nc2ccccc2/C1=C\c1cc[n+](Cc2c(F)cccc2Cl)cc1 299833132 OJQHHOKIRQOEEH-UHFFFAOYSA-O 365.815 4.308 0 1 FIAF COc1ccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587516620 YSKPBLZUFKNCAA-KRWDZBQOSA-N 351.446 4.244 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccccc32)N1 587833112 FNWZOYIUFMAMLA-ZMZPIMSZSA-N 362.242 4.149 0 1 FIAF COc1cncc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)c1 586987818 HKBVMUISHWUIEX-UHFFFAOYSA-N 368.392 4.146 0 1 FIAF C[C@@]1(c2ccc(C=O)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615304 WATSPUNZGXYVIO-XLIONFOSSA-N 366.394 4.143 0 1 FIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Cl 587553858 WITPYVHNESTKPW-APWZRJJASA-N 367.788 4.452 0 1 FIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccnc(Cl)c2[nH]1 587120931 ZWULMPJKMIXNKP-UHFFFAOYSA-N 355.629 4.039 0 1 FIAF Ic1ccc2nc(/C=C/c3ccsc3)[nH]c2c1 587025316 IAPKWYYYJMYGDN-DAFODLJHSA-N 352.200 4.399 0 1 FIAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)c(F)cc2[nH]1 587089057 WYKSURXDQBSGIQ-SSDOTTSWSA-N 360.177 4.214 0 1 FIAF Cc1ccc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2c1 587771193 BPDUYMLLWXOAOM-VOJFVSQTSA-N 374.257 4.168 0 1 FIAF Cc1cc(N)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576062 FDAARNKBUBNULG-DENIHFKCSA-N 361.397 4.160 0 1 FIAF Oc1ccc(C2(c3nc4c(Br)cnc(Cl)c4[nH]3)CC2)cc1 586895840 BLFKXCJWMOJDER-UHFFFAOYSA-N 364.630 4.159 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2F)N1 587730702 XRJSDCWLIHPHQM-PWJLMRLQSA-N 354.194 4.057 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc12 586887829 JBEQLKZIXLXZDC-APPDUMDISA-N 358.214 4.231 0 1 FIAF N[C@H](COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12 14957457 VUDAXHCEPITOSW-IBGZPJMESA-N 361.420 4.318 0 1 FIAF CC1=NC(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1C(=O)OC1CCCC1 169719477 SFEKXMBXFZSKQT-CABCVRRESA-N 368.355 4.033 0 1 FIAF N=c1cc(-c2ccc3ccn(Cc4ccc(CN5CCCC5)cc4)c3c2)[nH][nH]1 1857589777 QHKSDDZUHNXXME-UHFFFAOYSA-N 371.488 4.088 0 1 FIAF COc1ccc2c(c1)-c1n[nH]c(/C=C3\C(=O)Nc4ccc(Cl)cc43)c1C2 1857764435 VQSDLZQPWOYLNB-DHDCSXOGSA-N 363.804 4.136 0 1 FIAF Cc1ccccc1CN1CCC(CCN(C)C(=O)c2ccccc2)CC1 3814254 RJMBCDWSUTXONC-UHFFFAOYSA-N 350.506 4.369 0 1 FIAF CCN(CC)CCN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1 3904212 OCSQLIYKMCOZCT-LJQANCHMSA-N 357.885 4.248 0 1 FIAF CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc3ccccc23)NC(=O)N1 4263307 LYRRUOQAXOPTIM-HXUWFJFHSA-N 357.413 4.106 0 1 FIAF COc1ccccc1NC(=O)Nc1nc(-c2ccccn2)nc2ccccc12 13808632 GCKZXLFIXXZGHV-UHFFFAOYSA-N 371.400 4.344 0 1 FIAF CC(C)=CCN1CCN([C@H](Cc2cccc(O)c2)c2ccccc2)CC1 22590760 WLHCNEPBQJOHKW-HSZRJFAPSA-N 350.506 4.260 0 1 FIAF CCNC(=O)c1cccc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1C 28528983 QWMZQSWJLKNPDN-UHFFFAOYSA-N 364.367 4.324 0 1 FIAF NC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1 36399425 UIASTQRXRWRHSW-UHFFFAOYSA-N 364.348 4.475 0 1 FIAF COc1cc(C(=O)c2ccc(N(C)C)c3ccccc23)cc(OC)c1OC 40431239 MTZPROWDJFNYRC-UHFFFAOYSA-N 365.429 4.163 0 1 FIAF O=C(O)[C@]12C[C@H]1CN([C@@H]1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2 43202661 GPWMNUXSJDSCAV-JQOLTRQRSA-N 373.496 4.030 0 1 FIAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@@H]2CCCCC[C@@H]12 58547197 UASWVEYKVQSSHS-NHCUHLMSSA-N 365.521 4.033 0 1 FIAF O=C(c1cnc(NCc2ccccc2)nc1-c1ccccc1)N1CCCCC1 82133479 KTFWDSOEULBIRN-UHFFFAOYSA-N 372.472 4.382 0 1 FIAF O=C(NC1CCCCC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95593903 XSGKNRRFRFSUAK-UHFFFAOYSA-N 361.873 4.147 0 1 FIAF O=C(O)c1csc(-n2nc3c(c2-c2ccccc2)CCc2ccccc2-3)n1 103249837 GCXUZXGXEGDUDJ-UHFFFAOYSA-N 373.437 4.460 0 1 FIAF CCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2cc(Cl)ccc12 169312085 BBKJITNGLSIUKY-UHFFFAOYSA-N 369.896 4.422 0 1 FIAF CN1[C@H]2C[C@@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]1C[C@@H]2O 169349808 IKLFPVAAXYPLEK-SXYSDOLCSA-N 357.881 4.042 0 1 FIAF O=C(O)c1cn(Cc2ccccc2)c2ccc(Cc3ccccc3)cc2c1=O 201658751 TWBLBDUOPJPIIH-UHFFFAOYSA-N 369.420 4.339 0 1 FIAF Cc1cc(Cl)cc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc12 586947695 ASJXNQAXQLMBCA-UHFFFAOYSA-N 363.870 4.342 0 1 FIAF COc1cnccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987804 GPUSGFQXGQKCFS-UHFFFAOYSA-N 354.365 4.222 0 1 FIAF COc1ccc2nc(-c3nc4nccc(Br)c4[nH]3)sc2c1 587035427 PYMFWFCKQDCCED-UHFFFAOYSA-N 361.224 4.006 0 1 FIAF Cc1nn(-c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)c(C)c1Cl 587064519 CHIGUGYCNKPAEJ-UHFFFAOYSA-N 359.220 4.129 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2n1 587164976 HCLLJKDQUPVQCZ-UHFFFAOYSA-N 353.378 4.279 0 1 FIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 587241987 MVXZTMXDXYRRSO-UHFFFAOYSA-N 373.254 4.372 0 1 FIAF CC[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587356786 RUZZPXMYDZJPAJ-CECALHEMSA-N 354.377 4.018 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc(Cl)cc1)O2 587379089 SHGZJCOMJXDLCM-NDDJGDGRSA-N 356.853 4.167 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3[nH]c4ccc(F)cc4c31)O2 587383776 GIWBBDTXLUGINX-OAQYLSRUSA-N 350.393 4.395 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O)c(Cl)c1)[C@@H](C2)C3=O 587418725 ATYQAWVOGMKXCV-BTDLBPIBSA-N 351.185 4.196 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(O)cc(Cl)cc1Cl)[C@@H](C2)C3=O 587418960 CGXAKIJWTOQOLP-BTDLBPIBSA-N 351.185 4.196 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)(F)F)c(F)c1)[C@@H](C2)C3=O 587420763 HFYCLMHWYZDTHM-GTNSWQLSSA-N 368.282 4.222 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](/C=C(\C)N(C)C)(c1nccs1)CC2=O 587492524 ALXSXBZDLMINHC-VSFZPWCASA-N 372.490 4.127 0 1 FIAF COC(=O)N(C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587502289 FNMKVGUZBGTCEJ-QGZVFWFLSA-N 365.429 4.172 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(O)c2F)N1 587713471 CRQKJGZKDIQUNB-QZTNRIJFSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCCCCC2)N1 587766539 NWJAERLXORRQJA-FZKQIMNGSA-N 369.322 4.214 0 1 FIAF CC[C@]1(c2ncccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587767965 CBQNYMRIAPZGPB-XIKOKIGWSA-N 363.274 4.479 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccccn2)N1 587775018 YCMKFSWMODJGLW-ICCOPHDOSA-N 361.258 4.446 0 1 FIAF Cc1ccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc2c1 587775181 PMTVWQFAEPMMJJ-ADLMAVQZSA-N 374.257 4.168 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ncccc23)N1 587801937 IMMZGEFUODRCLN-JDNHERCYSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(OC(C)(C)C)C2)N1 587808477 GVPAAGUZALKDEP-JJMSQDNMSA-N 356.279 4.295 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCCC[C@H]2O)N1 587834104 QVKPOJNYLRVVMB-LQAWEQHXSA-N 356.279 4.033 0 1 FIAF Cc1cc(O)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587835747 XWNRUZCHRIDYRP-DYZYQPBXSA-N 350.231 4.226 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 587952381 PSSHJYYZBVPULE-IYOUNJFTSA-N 364.511 4.403 0 1 FIAF COc1ccc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1Cl 962618204 BQGWJURJQQWPOQ-BUXKBTBVSA-N 361.869 4.332 0 1 FIAF Cc1cn(CCC(=O)O)c(C)c1[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963100714 CKPMTMXFYZTDFJ-AVRDEDQJSA-N 370.468 4.003 0 1 FIAF O=C(Nc1ccccc1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61927792 LUUQMSBSLSQISD-GOSISDBHSA-N 350.805 4.344 0 3 FIAF CCCCN(CC)CCNC(=O)c1cc2cc3ccc(C)cc3nc2o1 6730565 YNSGPMHJGSPIHT-UHFFFAOYSA-N 353.466 4.141 0 1 FIAF C[C@H](C(=O)O)c1cc(C(=O)c2ccccc2)ccc1OC(=O)C(C)(C)C 26004302 ZPUYCRYADASOHO-ZDUSSCGKSA-N 354.402 4.057 0 1 FIAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(N(C)C)nc3)c(C)nn12 28458384 QJEURMFEYXHROW-UHFFFAOYSA-N 366.513 4.101 0 1 FIAF COP(=O)(OC)O[C@@H](c1ccccc1Cl)P(=O)(OC)OC 29224408 DKBXMNWEYXIWBB-LLVKDONJSA-N 358.651 4.242 0 1 FIAF CC(C)(C)c1cc(NC(=O)Nc2ccc([C@@H](O)c3ccncc3)cc2)no1 40892132 HKBQSXZHQFVGSQ-GOSISDBHSA-N 366.421 4.093 0 1 FIAF COc1ccc(-c2c(-c3cc(Cl)c(OC)c(OC)c3)ncn2C)cc1N 64264821 QSACANVYULLBLR-UHFFFAOYSA-N 373.840 4.016 0 1 FIAF CCOC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1 71331788 GYOOMBBXBUHKIE-UHFFFAOYSA-N 350.374 4.366 0 1 FIAF CCN(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1cccc(C)c1 82160118 NYVIWOOBIQUFLJ-UHFFFAOYSA-N 360.461 4.156 0 1 FIAF O=C(Nc1ccc(F)cc1)[C@H]1C(=O)N2c3ccccc3Cc3cccc1c32 84462427 VDYLXJQLHZWBDY-IBGZPJMESA-N 358.372 4.131 0 1 FIAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@@]3(CCC[C@H]3CNC3CCCC3)[C@@H]1[C@H](O)C2 85547587 MNVCSJUUUAOHID-UMTOVHEGSA-N 361.570 4.017 0 1 FIAF biogenic,in-vitro Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cc(=O)oc2ccccc12 95580581 GROHBJLESHZNGC-LBPRGKRZSA-N 357.793 4.161 0 1 FIAF c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccncc1)c1ccncc1 101284353 SKTSCYWZNYDPSU-DNQXCXABSA-N 362.456 4.189 0 1 FIAF CCOC(=O)[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)[C@@H](C)CC 103186410 SKFUADZAAQFHGQ-WJLVXLOQSA-N 358.265 4.101 0 1 FIAF Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ccncc2F)s1 142669398 JWZFVFIQYANEMV-UHFFFAOYSA-N 368.393 4.195 0 1 FIAF CNCCc1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1 165091999 NNVWBRBPCKJEJW-UHFFFAOYSA-N 364.470 4.186 0 1 FIAF COc1nc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)ns1 218306610 YEXRWIMDZCRFDD-MRXNPFEDSA-N 364.430 4.064 0 1 FIAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCc2ncsc21 220851238 LWMHJXDCGBUTDC-VIFPVBQESA-N 360.788 4.162 0 1 FIAF COc1cc2oc(-c3ccc(CN4CCCC4)cc3)cc(=O)c2cc1OC 299834320 SHPCADFURJJOOU-UHFFFAOYSA-N 365.429 4.073 0 1 FIAF CCCCOc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1Br 586885584 CDTNRMMQQYXWMX-MRXNPFEDSA-N 355.276 4.368 0 1 FIAF N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)cc1 586998204 ZECCVLXFOCWMGS-GFCCVEGCSA-N 368.637 4.360 0 1 FIAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 587012483 RQCOBQJFUZVFTA-UHFFFAOYSA-N 367.405 4.423 0 1 FIAF Clc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2nc1Cl 587041419 NPCPJVMDTIOQGQ-CHWSQXEVSA-N 365.289 4.211 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3Cc4ccccc4S3)nc1-2 587042114 HYJVHALXBVIGAY-QMMMGPOBSA-N 356.760 4.366 0 1 FIAF Cc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1C 587160771 GOQOCJUOMJWRCS-UHFFFAOYSA-N 355.804 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374.257 4.168 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3ccccc23)N1 587792274 HRKCYFAYGBXMIM-JDNHERCYSA-N 360.230 4.088 0 1 FIAF CC[C@]1(C2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834337 KZOVRNUZCXFMHK-APPDUMDISA-N 356.279 4.154 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccnc(Br)c2[nH]1 587931749 SRVTXMPHVDQNIT-APPDUMDISA-N 358.239 4.174 0 1 FIAF C=CC(=O)OC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 621477451 LCBJOLABJNMTKY-AWEZNQCLSA-N 373.836 4.181 0 1 FIAF CCOC(=O)CC[C@@]1(c2sccc2C)NCCc2cc(C)c(F)cc21 962375418 NCWDRAHESWJHEJ-HXUWFJFHSA-N 361.482 4.237 0 1 FIAF C[C@]1(c2ccc(O)cc2F)c2cccc(F)c2CCN1[C@H]1CCSC1 962697778 HZWMQZLRQIARPD-RNODOKPDSA-N 361.457 4.298 0 1 FIAF CCOC(=O)c1nc([C@H]2N[C@H](CC)Cc3c2[nH]c2ccccc32)sc1C 962955713 XZLXTJUNMBGQEX-XIKOKIGWSA-N 369.490 4.123 0 1 FIAF Fc1cccc2c1[C@@]1(c3ccccc3CC13CCOCC3)N1CCC[C@H]1C2 963100662 CHDHPHQHEHOQRE-YADARESESA-N 363.476 4.443 0 1 FIAF Clc1cc(Cl)c2c(c1)[C@H](c1cnc(-c3cnccn3)s1)NCC2 963102669 DQICUJZFBMPEKM-OAHLLOKOSA-N 363.273 4.142 0 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CCc1ccc(NCc2cc3c(C)[nH]n(-c4ccccc4)c-3nc2=O)cc1 103741134 MUAPJDWIOSLPBJ-UHFFFAOYSA-N 358.445 4.148 0 3 FIAF CC(C)(C)C(=O)OC[C@H]1C=C(c2ccc(Cl)c(Cl)c2)C(=O)OC1 64573140 ADQJBZVXBYXRLA-JTQLQIEISA-N 357.233 4.139 0 1 FIAF CCCC[C@@H](O)C1=CC[C@@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@H]3C1 27715894 DJYWGBMTZMYDEB-KAOXLYBCSA-N 355.522 4.081 0 1 FIAF O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccc(F)cc1 34043816 DUVRCCCAGVFLMM-FQEVSTJZSA-N 354.425 4.063 0 1 FIAF CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc(O)c(F)c1 72110231 HLRQXZBFIYYNOH-INIZCTEOSA-N 371.437 4.180 0 1 FIAF CCC(O)(CC)CCCCC12CCC(COC[C@H](O)CCO)(CC1)CC2 73197090 OSHTYNRDMHCSIU-QNGMFEMESA-N 370.574 4.198 0 1 FIAF CCCCN(CCCC)CCNC(=O)c1csc(-c2ccccc2)n1 82074823 PWICXYCKKMULSB-UHFFFAOYSA-N 359.539 4.442 0 1 FIAF CCCCCN1CCCC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O 199408242 JYRAMJQQZVGAIK-FQEVSTJZSA-N 352.478 4.141 0 3 FIAF COc1cccc([C@H]2CCCN(c3nc(-c4ccncc4)cs3)C2=O)c1 146360362 ULFBOWKRIWQPTO-QGZVFWFLSA-N 365.458 4.124 0 1 FIAF COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)c(C)c3)c2=O)cc1 95596180 DQWOWXWXWBFQPV-UHFFFAOYSA-N 370.836 4.363 0 1 FIAF CC(C)CNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 143610278 QZDOJQZQXSELTJ-CYBMUJFWSA-N 359.397 4.425 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(C)(C)CC(=O)O)N1 587830659 VYFZFCYDJXKOOT-BTDLBPIBSA-N 372.278 4.229 0 1 FIAF Cc1[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1CCC(=O)O 587526592 QFRPXBNMOAPZSS-LJQANCHMSA-N 367.445 4.234 0 1 FIAF C[C@]1(c2ccncc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333608 KUYDCAQQDZGWEF-PZJWPPBQSA-N 367.351 4.340 0 1 FIAF C[C@]1(c2cccnc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340783 VXIULXURACFUDD-GHTZIAJQSA-N 367.351 4.340 0 1 FIAF Cc1nccc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc12 587166198 PENUZBJVGDSSAW-UHFFFAOYSA-N 363.421 4.372 0 1 FIAF Fc1cccc([C@H]2C[C@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587161869 SAXRPNFXXGTLAS-RKDXNWHRSA-N 356.710 4.387 0 1 FIAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 587828821 QEHCZIVABWYMSB-JFCOXXTMSA-N 350.275 4.384 0 1 FIAF O=C(OCc1ccccc1)N1CC[C@@]2(Cc3c2nc2cccc4c2c3CC4)C1 587211585 GWVQHQYIEFSJFU-XMMPIXPASA-N 370.452 4.170 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1Cl 587871207 QDBHXXAEZXVUAO-UHFFFAOYSA-N 374.799 4.461 0 1 FIAF CCc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1Br 586976559 GMPOIDDVUGZSAR-UHFFFAOYSA-N 370.250 4.440 0 1 FIAF Brc1ccnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 587022142 OALSYSCUQSHZBQ-UHFFFAOYSA-N 371.263 4.435 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nc3ccccn13)CC2=O 587488050 GQQOPSUJKXNJCW-OAQYLSRUSA-N 350.418 4.181 0 1 FIAF CC(C)(C)[C@H](N)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587257943 RMWRDNNJNNHKJY-SNVBAGLBSA-N 366.181 4.270 0 1 FIAF CC(C)Cn1ccnc1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962716875 SZFNFQIQNRIZSS-KXBFYZLASA-N 359.514 4.131 0 1 FIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](CCc2ccc(Cl)c(Cl)c2)N1 962897648 LCJJZQDMBWCPQY-SJORKVTESA-N 368.235 4.405 0 1 FIAF CC1=C(C(=O)NCCCSC2CCCCC2)C2(CCCCC2)OC1=O 5058832 OBMBHNOONVJWTJ-UHFFFAOYSA-N 365.539 4.135 0 1 FIAF 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O=C(COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)N1CCCCC1 587212357 NWVOCCBSRRPLHG-UHFFFAOYSA-N 372.468 4.392 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc4cc(N(C)C)ccc4c1)[C@@H](C2)C3=O 587430103 RDWQFYHPECQONY-CVDCTZTESA-N 359.425 4.403 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)OC(F)(F)O3)CC2=O 587464980 DIUHPEMNIUXABS-INIZCTEOSA-N 362.328 4.373 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCCC3)s1)CC2=O 587495657 PSBXQYZTVCYSKH-INIZCTEOSA-N 358.463 4.108 0 1 FIAF O=C1C[C@@]2(CCOc3c2ccc(O)c3F)Oc2c1ccc1c2CCCC1 587510039 UIZLXTIJAQTKRD-OAQYLSRUSA-N 354.377 4.053 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCNc1ccccc12 587595852 PBVAVRXYNGRQNT-KNQAVFIVSA-N 359.381 4.065 0 1 FIAF C[C@]1(c2ccc3[nH]ncc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598006 XFZVFNWDNVEJDU-DENIHFKCSA-N 372.380 4.146 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(F)cc2F)N1 587727295 NMGXEIATKGOQES-ZKANADHPSA-N 371.200 4.059 0 1 FIAF CC(C)c1nccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587775292 QNHMJBGWCZCPIJ-QLJPJBMISA-N 364.262 4.125 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3[nH]ccc23)N1 587803886 QAVIULXPUCMKCC-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccc(O)c1 618005084 QKPJYDOCHSJTMR-CQSZACIVSA-N 369.446 4.214 0 1 FIAF NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1Cl 653725364 IOPYRKZQOGSZBC-MRXNPFEDSA-N 360.244 4.223 0 1 FIAF Fc1ccc2ncc([C@@H]3c4ccsc4CCN3Cc3ccco3)n2c1 962709398 NFMUIPHGXNUZIJ-IBGZPJMESA-N 353.422 4.276 0 1 FIAF CC(C)(C)O[C@@H]1C[C@]2(c3c(F)cccc3C[C@H]3CCCN32)[C@@H]1n1cccn1 963108749 YIHJOLGWXHXUQO-ZLLBNUPZSA-N 369.484 4.067 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1oc2cc(O)ccc2c1C 963642715 ZESLGRFKSSFTGI-VERVWZFWSA-N 367.445 4.262 0 1 FIAF COc1ccc(NC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC 1857757668 IFJBQEBQNMXRBX-UHFFFAOYSA-N 369.417 4.149 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@@H](C)C(=O)C[C@@H]12 2356469447 NLSHPJQSTZKKHA-XHCHQYRPSA-N 364.526 4.306 0 1 FIAF CC(C)=CCc1ccc([C@@H]2C[C@@H](Cc3ccc(O)cc3)OC2=O)cc1O 2356612221 YOBDVZGDIRRERU-UXHICEINSA-N 352.430 4.248 0 1 FIAF CC=C([C@H](C)C1=CCCC(C)(C)C1)[C@@H]1[C@H](OC(C)=O)O[C@@H]2OC(=O)C[C@@H]21 2356806917 WAKWQRLYHBSGJG-NHHXIYCKSA-N 362.466 4.130 0 1 FIAF CC(=O)Nc1ccc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)cc1 2947418 AILABAORQPYBIK-KRWDZBQOSA-N 364.829 4.216 0 3 FIAF CC(C)C[C@@H]1O[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2N1C 199737430 JMSKTLHYINJDLZ-NHWIGJJZSA-N 367.537 4.178 0 3 FIAF CCCNc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 2014376 JQCCJRUGUGJQLU-UHFFFAOYSA-N 372.898 4.347 0 1 FIAF CCCCC[C@H](O)C=C[C@H]1[C@@H]2CC(=CCCCC(=O)O)C[C@@]2(C)C[C@H]1O 2356401957 VKPYUUBEDXIQIB-UERWRGBPSA-N 364.526 4.462 0 1 FIAF CCCC[C@@](C)(O)C1=CC[C@@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@@H]3C1 27716193 LJTJQLDGHOLLEZ-CJRSTVEYSA-N 369.549 4.471 0 1 FIAF Cn1cc(-c2coc3c(C(=O)NCc4cccc(Cl)c4)cccc23)cn1 61904962 PIMVLINFUKRRRU-UHFFFAOYSA-N 365.820 4.417 0 3 FIAF COc1cccc(Nc2nc(-c3cccnc3Nc3ccccc3)n[nH]2)c1 28530154 CCPIDVDWCVVLLT-UHFFFAOYSA-N 358.405 4.363 0 1 FIAF CCCn1cc(-c2ccccc2)nc1CCc1nc2cc(C)cc(C)n2n1 113420384 YEFCIYWVBVREOV-UHFFFAOYSA-N 359.477 4.405 0 1 FIAF C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1 115721650 XNLQUWXXCRJCDC-SECBINFHSA-N 371.853 4.265 0 1 FIAF COc1cc(C=Cc2cc(O)cc(O)c2Cc2ccc(O)cc2)ccc1O 2356627745 VFHNCULLCMIZKI-UHFFFAOYSA-N 364.397 4.279 0 1 FIAF O=C(Nc1ccccc1-c1nc(Cl)cs1)OCC1CCNCC1 38793276 KUFYMTQAWUCMMN-UHFFFAOYSA-N 351.859 4.012 0 1 FIAF O=C(c1cc2c(ccc3[nH]ncc32)[nH]1)N1CCC(Cc2ccccc2)CC1 35259627 AMZJRNJGGXNLCG-UHFFFAOYSA-N 358.445 4.139 0 1 FIAF CC/C=C/C/C=C\C[C@@H]1O[C@@H](C=C=CBr)C[C@H]1OC(C)=O 85950254 ADPYLPCYOQTHGO-FUIUIGDQSA-N 355.272 4.442 0 1 FIAF Cc1ccc(C)c(Cn2c(Sc3cccc(Cl)c3)cc(=O)[nH]c2=O)c1 84668948 PWAKKEPZIWJVBA-UHFFFAOYSA-N 372.877 4.006 0 1 FIAF CCN(CC)CCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 45351687 RZXBJMASGXLQIJ-UHFFFAOYSA-N 367.445 4.276 0 1 FIAF CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1C=Cc1cc(O)ccc12 141896288 IRIIUDZNMALVTI-RLLPEYFOSA-N 350.458 4.116 0 1 FIAF Cc1cccc(NC(=O)c2nc(C)n(-c3ccc(F)c(Cl)c3)c2C)n1 95602509 WYMQGANITXWQQR-UHFFFAOYSA-N 358.804 4.237 0 1 FIAF CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C 238780671 SDDRXWBBAHXQBA-YOTWYOACSA-N 358.434 4.299 0 1 FIAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1CCN1CCCCC1 96928646 NAAUCTMXPMHSCE-INIZCTEOSA-N 359.322 4.053 0 1 FIAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2 254120867 SKIKZARVXIZUJL-RCJHGTSTSA-N 373.859 4.079 0 1 FIAF Nc1cccc(-c2cnc3snc(NC(=O)C4CCCCC4)c3c2)c1 299821350 KYNCPQXYTBATDE-UHFFFAOYSA-N 352.463 4.459 0 1 FIAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1O 587521929 DIESYTAQIGRVSJ-QFIPXVFZSA-N 368.429 4.169 0 1 FIAF Cc1cc2c([nH]1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587161 FZUYNOZVOLAZRG-KNQAVFIVSA-N 361.397 4.222 0 1 FIAF Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc12 587585540 FPXBIRCMPOCGRZ-NQIIRXRSSA-N 372.380 4.051 0 1 FIAF Cc1ccc2c(ccc3nc([C@H](N)Cc4c[nH]c5ccc(F)cc45)[nH]c32)n1 587175597 UZLXYPVCTXMYBK-MRXNPFEDSA-N 359.408 4.282 0 1 FIAF COC(=O)c1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)o1 587531975 JCZLHMPGQMRQGB-OAQYLSRUSA-N 354.402 4.134 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Cl 587553722 VJPCTNAHQQNYIV-MAUKXSAKSA-N 353.761 4.144 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2C(C)(C)C)N1 587806860 WENUFEWEMCLTAQ-BJOHPYRUSA-N 366.278 4.232 0 1 FIAF Cc1nc(F)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587736840 CESHOYKCGUWUBV-BCTVWOGZSA-N 353.210 4.054 0 1 FIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 587109791 VEFSZDNITJRTJF-UHFFFAOYSA-N 359.666 4.134 0 1 FIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(Br)cnc(Cl)c3[nH]1)C2 586888104 WHMFVAHAYGUVLT-CIUDSAMLSA-N 366.646 4.013 0 1 FIAF CC(C)(C)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586415 CEFUSNJXNJNLPA-QFBILLFUSA-N 364.401 4.116 0 1 FIAF Fc1c(Cl)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1F 587040574 IAIDGTIYOFUAEU-QWHCGFSZSA-N 365.836 4.441 0 1 FIAF COc1cc(/C=C\c2nc3cnncc3[nH]2)cc(Cl)c1OCC(C)C 587046456 GTLZOOMRRUPPJC-PLNGDYQASA-N 358.829 4.220 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(Cl)cc3)nc1C)O2 587380255 RUSCKFPBEIRDFU-IBGZPJMESA-N 367.836 4.431 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)NC1CCCCCC1)CC2=O 587472221 ZKHJLOPICZMUHR-JOCHJYFZSA-N 373.493 4.298 0 1 FIAF COc1ccc(N2C[C@H](C(=O)c3coc4ccc(Cl)cc34)CC2=O)cc1 587279156 XLTAZCFQFHSJFK-GFCCVEGCSA-N 369.804 4.331 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(C1CCOCC1)CC2=O 587492828 XTRCRIHQMDKCKP-JOCHJYFZSA-N 367.445 4.027 0 1 FIAF O=C(c1ccccc1)c1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c1 586906392 MAOOTLCWIQPRIA-DEDYPNTBSA-N 366.376 4.462 0 1 FIAF COc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1C 587080694 SMNXLGHDELJLCJ-CQSZACIVSA-N 354.841 4.257 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2ccc(F)cc2)N1 587735750 UTKXRFRNGKIKQS-BMLIUANNSA-N 368.221 4.382 0 1 FIAF Cc1nc(Br)sc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587011206 MGHFFQOFLDLJTG-UHFFFAOYSA-N 364.055 4.459 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1cccc(OC(C)C)c1)N(C)[C@@H](C)C2 962639410 QBYVBWICYGAUFB-NYHFZMIOSA-N 355.478 4.457 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1csc(-c2ccncc2)n1 963114674 WDUUAQMJNLYCGM-LPHOPBHVSA-N 351.450 4.454 0 1 FIAF Cn1ncc2cccc([C@@H]3NC4(CC4)Cc4ccc(Br)cc43)c21 961613965 JKZVTYJJRHGRLB-KRWDZBQOSA-N 368.278 4.104 0 1 FIAF CC(C)(C)c1n[nH]cc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962700794 KMWDSYQYQYVLAX-SCLBCKFNSA-N 359.514 4.299 0 1 FIAF Cc1ccc([C@]2(C)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cn1 962633854 GVUVMPAMDNNFGD-UKILVPOCSA-N 369.512 4.400 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CC(C)(C)Cc2[nH]cc(C)c21 963607384 JTDPUSOCHSIXGC-PEBXRYMYSA-N 354.494 4.091 0 1 FIAF C1=C([C@@H]2NCCc3nc4ccccn4c32)COc2ccc3ccccc3c21 962986521 IKLCKNOCYPGDLU-QFIPXVFZSA-N 353.425 4.150 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]21CCOc2cc(C)c(Cl)cc21 963257082 GVPJBNWRDDNICP-LJQANCHMSA-N 364.272 4.482 0 1 FIAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1C(C)(C)C(=O)CC[C@]21C 5037513 RXIIHKUHSCUOAN-QKVFXAPYSA-N 360.450 4.079 0 1 FIAF biogenic CN(C)C[C@H]1C[C@@H]2c3cccc(C(F)(F)F)c3Cc3ccccc3N2O1 13437168 MMEQHMVQEKIHIG-AUUYWEPGSA-N 362.395 4.423 0 1 FIAF CN(C)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 164951679 JYQDSHIEJSGQNK-UHFFFAOYSA-N 350.443 4.177 0 1 FIAF CCn1nc(C)c(-c2ccc3c(c2)NC(=O)CO3)c1-c1ccc(F)cc1 200977006 PDLOYUHTWCCRIM-UHFFFAOYSA-N 351.381 4.015 0 1 FIAF CCCN(C)c1nc(O)c(C)c([C@H](OC)c2c(Cl)cccc2Cl)n1 1857570610 FBXUEHIPDXLGMJ-OAHLLOKOSA-N 370.280 4.379 0 1 FIAF O=C(O)c1cc(=O)c2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2o1 1624603 MTKHEIAZUOLSNV-UHFFFAOYSA-N 369.181 4.091 0 1 FIAF O=C(O)CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccc21 13649901 RPVJJJHBMJJBED-UHFFFAOYSA-N 365.216 4.020 0 1 FIAF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1OCc1ccccc1 13651699 QTORVPORTPVAKK-UHFFFAOYSA-N 363.413 4.228 0 1 FIAF C=C[C@](C)(O)CC[C@]1(C)C2=C([C@H](OC(C)=O)[C@@H](O)[C@@H]1C)C(C)(C)CCC2 15266497 HEUKTFJGHNRGIR-KFPWLUIXSA-N 364.526 4.159 0 1 FIAF biogenic CCc1cc2c(C)c(Cc3ccccc3)c(=O)oc2cc1OC(=O)N(C)C 26477825 DIFNHFLWZYLNJJ-UHFFFAOYSA-N 365.429 4.315 0 1 FIAF Clc1ccc2c(NCCN3CCN(c4ccccc4)CC3)ccnc2c1 26653421 KSPCOHNUULUQFB-UHFFFAOYSA-N 366.896 4.122 0 1 FIAF O=C(O)c1ccc2c(c1)[C@H]1CCN[C@H](Cc3cccc4ccccc34)[C@H]1N2 26669388 FPRFIUYLFZQUHW-QIJUGHKUSA-N 358.441 4.020 0 1 FIAF CCOC(=O)C1=C(C)Nc2ccnn2[C@H]1c1cccc(Cl)c1Cl 26744802 GLTMERODYMIDGG-HNNXBMFYSA-N 352.221 4.042 0 1 FIAF Cc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)n1-c1ccc(Cl)cc1 28951891 RCVJKKYLQNAHPL-UHFFFAOYSA-N 371.227 4.187 0 1 FIAF c1ccn(CCOc2ccc(Nc3nccc(-c4nccs4)n3)cc2)c1 40898765 QQMARRRQCNDGAX-UHFFFAOYSA-N 363.446 4.224 0 1 FIAF Fc1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)cc1 72184827 XEDCSHRWAVYNIH-UHFFFAOYSA-N 374.419 4.473 0 1 FIAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccnc(-c2ccncc2)n1 96934878 OZFLAXMMJDKYTK-UHFFFAOYSA-N 360.204 4.489 0 1 FIAF CC(C)COc1cc(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2n1 100643232 SHSIEQXDSQPUEV-HOTGVXAUSA-N 368.477 4.052 0 1 FIAF Cc1ccc(NC(=O)c2cnn3c2NC(=C2CC2)C=C3C(F)F)cc1C 102858961 GLKUOMQUBDOYPC-UHFFFAOYSA-N 356.376 4.332 0 1 FIAF CC1(C)CC2=Nc3nc(S)nc(O)c3[C@H](c3ccc(O)cc3)C2=C(O)C1 104083393 ODLPCGHONAMVFA-CYBMUJFWSA-N 369.446 4.027 0 1 FIAF CC(=O)Nc1cc(-c2cnccc2Nc2cccc3[nH]ccc23)nc(C)n1 113150726 ZROCTKVGEQOIMO-UHFFFAOYSA-N 358.405 4.030 0 1 FIAF Cc1nc(C(F)(F)F)cn1-c1ccc(NCc2c(F)cccc2F)nc1 149843522 QAWJFNWFRINMMU-UHFFFAOYSA-N 368.309 4.485 0 1 FIAF COc1cccc(F)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc2ccccc2n1 167144134 PQPRPIGDFBVOQJ-LIRRHRJNSA-N 364.420 4.492 0 1 FIAF O=C1CSc2ccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)cc2N1 587044528 XNRDHUFKHMOLBQ-UHFFFAOYSA-N 351.765 4.206 0 1 FIAF COc1cc(/C=C/c2nc3cnncc3[nH]2)cc(Cl)c1OCC(C)C 587046457 GTLZOOMRRUPPJC-SNAWJCMRSA-N 358.829 4.220 0 1 FIAF N=c1[nH]c2c(s1)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587207139 BWQNYNREVMACGJ-UHFFFAOYSA-N 355.422 4.081 0 1 FIAF CC(=O)c1cccc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)nc12 587395019 NBVBCRNWJZRWGL-JOCHJYFZSA-N 360.413 4.209 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)C(=C(C)C)NCC4)[C@@H](C2)C3=O 587440832 QVILCKUZHLCSEF-MBSDFSHPSA-N 361.441 4.081 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cnn(C)c3)c1)CC2=O 587480981 XBYFEHFGUHTEAL-OAQYLSRUSA-N 362.429 4.452 0 1 FIAF Cc1c(C(=O)O)oc2c1[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587533380 QRFIEDUKDBFXJU-JOCHJYFZSA-N 366.413 4.362 0 1 FIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587553810 HLICDMOCVXCPEC-NQIIRXRSSA-N 366.344 4.243 0 1 FIAF CC/C(C)=C(\N)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587749184 NHXOLSQXJAAZDY-HWIKFWPBSA-N 355.295 4.370 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CCC2(C)C)N1 587817863 BILVTRVGIKFCJP-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CCC2(C)C)N1 587818695 FGOVANVJIOAGSF-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF CC[C@@]1(C2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834342 KZOVRNUZCXFMHK-GTNSWQLSSA-N 356.279 4.154 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3occc32)N1 587834469 ROKAGHNUUWUYFZ-DYZYQPBXSA-N 350.231 4.295 0 1 FIAF O=C(O)/C=C/C=C\c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 587967817 JPNUWHXTVVUZCD-HSFFGMMNSA-N 350.218 4.255 0 1 FIAF Cc1ccc2c3c1N(CC31CC1)[C@@]21CCN(C(=O)OC(C)(C)C)C1(C)C 963727988 FHLLOEFZMSZSCB-QFIPXVFZSA-N 354.494 4.475 0 1 FIAF COc1ccccc1-c1ccc2c(C)nc3c(nnn3-c3ccccc3)c2n1 1857606110 CDHGMLMPYFFSHK-UHFFFAOYSA-N 367.412 4.348 0 1 FIAF CC(C)(Cc1ccc(F)cc1)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857607325 VVRRRDFLUSHHDP-UHFFFAOYSA-N 373.435 4.081 0 1 FIAF Oc1ccccc1-c1nc2sccn2c1Nc1ccc2c(c1)OCCO2 4597534 PQDKWTWJDLAQKF-UHFFFAOYSA-N 365.414 4.283 0 1 FIAF Cc1ccc2c(cnn2C(=O)CCCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c1 6768594 XYLLPFRYMJNBHB-RYRKJORJSA-N 355.482 4.096 0 1 FIAF C[C@@H](c1ccccc1)n1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21 26723784 WLJDKNCHLKNZQL-INIZCTEOSA-N 366.424 4.345 0 1 FIAF COc1cc(/C=C/c2ccc3nc(C)c(C)nc3c2)cc(OC)c1OC 27210998 CDUGLCNFFUMCSD-VOTSOKGWSA-N 350.418 4.443 0 1 FIAF C[C@@H]1CC(=O)c2c(c3c(c4c5c(c(=O)oc24)CCCC5)OC(C)(C)C=C3)O1 29132881 PMHXOFOJJSQABO-LLVKDONJSA-N 366.413 4.210 0 1 FIAF O=C(NCCSCc1cccc(O)c1)c1c(Cl)cccc1Cl 49803735 NGJNAFXSDQQNBL-UHFFFAOYSA-N 356.274 4.362 0 1 FIAF CCCCNC(=O)/C=C/c1c(C)oc2c(C)c3oc(=O)cc(C)c3cc12 66251374 NUMYUUHIKOLWII-BQYQJAHWSA-N 353.418 4.394 0 1 FIAF COc1cc([C@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O 72107691 KBIHHHDCLJQNHG-YGGHMXSPSA-N 374.433 4.208 0 1 FIAF in-man COc1ccc(Oc2c(Cl)cnn(Cc3cccc(C)c3)c2=O)cc1 95595277 FUZRVTYOKWNXKF-UHFFFAOYSA-N 356.809 4.054 0 1 FIAF O=C1[C@H]([C@@H](O)c2ccccc2C(F)(F)F)CCCN1Cc1ccccc1 103282501 RXBYDWNULXSQJL-WMZOPIPTSA-N 363.379 4.178 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc(Cl)c(Cl)c1 103543768 FCRCLCFIUBPIHT-XERWBJCMSA-N 370.232 4.415 0 1 FIAF CCOC(=O)/C(=C/c1ccc(CC)cc1)CSc1nc(C)cc(C)n1 169308086 YNUMUMQXNCMTCQ-LDADJPATSA-N 356.491 4.395 0 1 FIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(O[C@@H]4CCC[C@H]4O)cc3)cc12 216012449 AHRGHLXHIBYZOE-RTBURBONSA-N 371.820 4.479 0 1 FIAF CC(C)O[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990828 GBUVLYMFYWWNTA-CYBMUJFWSA-N 359.425 4.434 0 1 FIAF COc1ccc(-c2nc3cncc(Br)c3[nH]2)c(C(F)(F)F)c1 587095529 JERGMXREDQNARP-UHFFFAOYSA-N 372.144 4.415 0 1 FIAF COc1cc(Cl)ccc1NC(=O)Cc1cc2c3c(cccc3n1)CC2 587208835 BUVWOQODIYKYCL-UHFFFAOYSA-N 352.821 4.177 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(O)c(F)c1 587559843 ZRYNVJRSZLPWEU-UZLBHIALSA-N 370.307 4.079 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)ccc1F 587568449 LXEYCEPSWKUYNP-HNAYVOBHSA-N 371.751 4.283 0 1 FIAF Nc1ccc2c(c1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578224 NGDZXPALOFHRML-OFNKIYASSA-N 373.408 4.168 0 1 FIAF Cc1nc2ccccn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585172 BNCKOZKQBDLDKF-XMSQKQJNSA-N 372.380 4.051 0 1 FIAF C[C@]1(c2nc3ccccc3[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587069 FKRSAVCHMADXSO-AVRDEDQJSA-N 372.380 4.146 0 1 FIAF CCc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587608559 LOFSQPZXBRMBPT-KNQAVFIVSA-N 362.381 4.363 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N)c(Cl)c2)N1 587696524 PLOWPAQLIQFBFZ-ZKANADHPSA-N 369.665 4.447 0 1 FIAF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587774223 UFTGHBWYMPNEDN-QGHHPUGFSA-N 365.246 4.006 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nccnc3c2)N1 587779475 SQQHLFQENFHWJM-MGNBDDOMSA-N 372.241 4.155 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CC3(CCC3)C2)N1 587819695 WRNFJZLXNQPWRE-BBATYDOGSA-N 366.274 4.241 0 1 FIAF Cc1cc(O)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587833423 NJBZJLUTEAZDPW-DYZYQPBXSA-N 350.231 4.226 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)COC3)N1 587834203 JXDOUAZCJMGPDJ-MGNBDDOMSA-N 362.242 4.242 0 1 FIAF COc1ccc(-c2ccc(-c3nc4c(OC)cncc4[nH]3)cc2)cc1OC 587929159 RZUADSJAFZWSCO-UHFFFAOYSA-N 361.401 4.318 0 1 FIAF Nc1c(Br)cccc1-n1c(O)cc(-c2ccc(F)cc2)c1O 587936384 SNACQXMFUGFUMJ-UHFFFAOYSA-N 363.186 4.039 0 1 FIAF CCCOc1cc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2cc1Br 587961055 DFFRTLVURVBSFE-QWRGUYRKSA-N 365.271 4.272 0 1 FIAF Brc1ccc2c(c1)[C@@H](c1cc3ncccc3[nH]1)NC1(CC1)C2 961321749 KLAPZPUUOMDDNH-KRWDZBQOSA-N 354.251 4.093 0 1 FIAF COc1ccc(-c2ccc([C@]3(C)NCCc4c(C(=O)O)cccc43)cc2)cc1 963121609 KDCICRFIAFLCEB-DEOSSOPVSA-N 373.452 4.470 0 1 FIAF CC(C)COC(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccccc2)no1 61907519 KFORWYBSYJVUMW-QGZVFWFLSA-N 371.437 4.247 0 3 FIAF CC(C)c1ccc(CN2CC[C@@]2(C)C(=O)Nc2ccc3c(c2)OCO3)cc1 61930474 CODAKFAKSWKSNE-QFIPXVFZSA-N 366.461 4.142 0 3 FIAF COc1cc(OCc2nc3ccccc3n3cccc23)cc(OC)c1OC 1658493 BEJCRZZFAIBPOP-UHFFFAOYSA-N 364.401 4.092 0 1 FIAF COc1ccc(CN[C@H]2CCCc3nc4ccccc4c(N)c32)cc1OC 3802296 DVQIKJRHVGMJOG-KRWDZBQOSA-N 363.461 4.001 0 1 FIAF CC[C@H](C)C(=O)NC[C@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 12201051 CQSNXFSJVIDXOL-KBXCAEBGSA-N 351.446 4.022 0 1 FIAF CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C\Cl)[C@@H]2CCc3cc(O)ccc3[C@@H]12 13556115 WYSGEJWYPOTZIV-JFWLHBMXSA-N 362.897 4.357 0 1 FIAF CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(C(=O)C1CCCCC1)CC2 13817595 ABYPCYIQSWYGSA-INIZCTEOSA-N 370.537 4.350 0 1 FIAF C[C@H]1[C@@H](c2ccc(F)cc2)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 17250826 WTOYXTZDCYEBQM-SKOKVVANSA-N 355.409 4.137 0 1 FIAF c1ccc(C2(c3ccccn3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)nc1 26637144 IFITXJMKEBCGCF-QPPBQGQZSA-N 362.456 4.189 0 1 FIAF CCOC(=O)[C@@H](CC/C(=C/CCc1ccc2c(c1)OCO2)CC)C(C)=O 34075005 KKZVEWDEVFOADV-ULUBDBHXSA-N 360.450 4.233 0 1 FIAF CCCCS(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1 34186251 GOSRRAUHGUCBIM-UHFFFAOYSA-N 370.474 4.356 0 1 FIAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)ccc2c1 40423088 NEFJOPJGGSVMGP-UHFFFAOYSA-N 366.413 4.414 0 1 FIAF O=c1cc(NCCCNCc2cc3ccccc3s2)[nH]c2ccccc12 45322369 TYEBVDRTHGWXOL-UHFFFAOYSA-N 363.486 4.335 0 1 FIAF COc1c(O)cc2oc(-c3ccc(Cl)c(Cl)c3)cc(=O)c2c1O 84602228 OQZWXHOVWRHBCY-UHFFFAOYSA-N 353.157 4.187 0 1 FIAF C[C@H]1CCC[C@H](C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1 95576567 LEBIBPNJIMKQIQ-JSGCOSHPSA-N 359.857 4.142 0 1 FIAF COc1ccc(N(C)c2nc(C(F)(F)F)ccc2C(=O)OC(C)C)cc1 95593224 TXCVMSYLVHKCEI-UHFFFAOYSA-N 368.355 4.442 0 1 FIAF Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)n1 96175642 IBOYWZUQTSYKKG-UHFFFAOYSA-N 374.322 4.243 0 1 FIAF CN(C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccncc1 96914923 DFGAKRFFCAMHML-UHFFFAOYSA-N 369.424 4.485 0 1 FIAF OCCCCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144791259 XCDAVAOOOZZKCZ-IBGZPJMESA-N 366.379 4.397 0 1 FIAF CCCCC[C@](C)(O)/C=C/[C@H]1COC(=O)[C@@H]1CCCCCCC(=O)OC 169318074 KQCWGFLYBMPGPZ-QHAAAOMISA-N 368.514 4.177 0 1 FIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4C=C(O)C=C[C@]4(C)[C@@H]3CC[C@]12C 169370292 ZFZLLLFBWBJQJN-XNPXOOOUSA-N 370.537 4.386 0 1 FIAF NCCCNc1nnc(-c2ccc3[nH]cc(-c4ccccc4F)c3c2)s1 204754219 CBHIHNZQLLGLIM-UHFFFAOYSA-N 367.453 4.253 0 1 FIAF C/C=C(\C)[C@H](O)[C@@H](C)/C=C(C)/C=C/C=C\C=C\C=C(/C)C(=O)N[C@H](C)CO 238750377 SJFXXCHPVOUCOT-UOVBRUNJSA-N 373.537 4.008 0 1 FIAF Nc1ncnc2c1sc1ncc(-c3ccc(Br)cc3)cc12 299871394 YJJZDDGUGREAMG-UHFFFAOYSA-N 357.236 4.251 0 1 FIAF Nc1ccc(-c2ccc3nc([C@](F)(Cl)C(F)(F)F)[nH]c3c2)cc1N 587089615 FHTLEYFCUCBPNN-CQSZACIVSA-N 358.726 4.318 0 1 FIAF COc1ccc(-c2ccc(-c3nc4cc(N)c(N)cc4[nH]3)c(F)c2)c(F)c1 587153271 XQCWJEYVCHMPOG-UHFFFAOYSA-N 366.371 4.348 0 1 FIAF C[C@@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171915 CDXRBWFESJNWBO-INIZCTEOSA-N 366.179 4.032 0 1 FIAF Cc1cc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2c(C)n1 587242284 ROEPEPKMWJTJIE-UHFFFAOYSA-N 354.410 4.294 0 1 FIAF C[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359263 RDXJYKKHMQCFCF-CTNGQTDRSA-N 356.393 4.076 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc(OC(F)(F)F)cc1)O2 587383901 XFIGAWBOMOYQPQ-AWEZNQCLSA-N 365.351 4.442 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C1CCNCC1)CC2=O 587484984 PDSPTUXJESAZKF-HSZRJFAPSA-N 365.473 4.205 0 1 FIAF Cn1nc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(F)(F)F 587502514 ABPSISYWYMVPSS-SFHVURJKSA-N 364.367 4.198 0 1 FIAF Cn1ccnc1C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514447 YKIBROHKFGNFSI-XMMPIXPASA-N 372.468 4.402 0 1 FIAF Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 587774527 WDTZKPQHAWUUSQ-DYZYQPBXSA-N 374.257 4.168 0 1 FIAF COC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797858 XVJCTBBZBONLFQ-SGTLLEGYSA-N 364.258 4.012 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(C)(C)CC(=O)O)N1 587830660 VYFZFCYDJXKOOT-DYZYQPBXSA-N 372.278 4.229 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C=O)s2)N1 587846894 JHAUYYQVRKHQIC-JDNHERCYSA-N 368.271 4.260 0 1 FIAF Fc1ccc2c(c1)-c1cc(n(-c3nc(-c4ccccn4)nc4c3CCC4)n1)O2 587875638 SWYSOMSJZAELEF-UHFFFAOYSA-N 371.375 4.125 0 1 FIAF Cc1ccc([C@@]2(C3CCC3)NCCc3ccc(C(=O)N(C)C)cc32)cc1C 962926327 BBMISECAYGBJML-XMMPIXPASA-N 362.517 4.195 0 1 FIAF CCO/C=C\[C@]1(C(F)(F)F)c2cccc(Br)c2CCN1C 963280073 LUDMHONONIBXQG-QQBNSCQMSA-N 364.205 4.245 0 1 FIAF Nc1nccc(-c2c[nH]c3ncc(-c4cccc(C(F)(F)F)c4)cc23)n1 1772643041 XTBUCBOROGHGGY-UHFFFAOYSA-N 355.323 4.288 0 1 FIAF FC(F)Oc1ccc(CN2CCOCC2)cc1-c1cccc(Cl)c1 1857540230 BRCBXFIWTKOPQK-UHFFFAOYSA-N 353.796 4.441 0 1 FIAF CSc1ccc2cc3n(c2c1)CCN1C(=O)c2cc(F)ccc2N(C)[C@H]31 1857564522 ROQCHGPCBYDJLI-IBGZPJMESA-N 367.449 4.107 0 1 FIAF CCC=CC[C@@H](O)C=CC=CCC=CCC=CC=C[C@H](O)CCC(=O)O 2356340195 JKPUWSZSJINVLB-RTWAWAEBSA-N 360.494 4.491 0 1 FIAF C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CCC1=C2Cc2c([nH]c3ccccc23)C1 2356341538 QYWNSXINTFHPNN-SKWRMQMOSA-N 365.473 4.225 0 1 FIAF O=C(O)C=C[C@@H](CCCCCCCCCCCCCO)N=c1cc[cH-][nH]1 2356420340 WQHCFHNVDZJJJE-LJQANCHMSA-N 363.522 4.317 0 1 FIAF COc1ccc(C2=Nc3cc(OC)ccc3NC(c3ccncc3)=N2)cc1 6743704 ACYZPKNIUAXXNT-UHFFFAOYSA-N 358.401 4.049 0 1 FIAF COC(=O)c1ccc(N2Cc3cccc(OC)c3Oc3ncccc32)s1 6751417 TZHPIXDXDOXWEE-UHFFFAOYSA-N 368.414 4.382 0 1 FIAF COc1c(-c2nc(C)c(-c3cccnc3)[nH]2)cc(Cl)c2[nH]c(C)nc12 27521542 CPMAFKJAGZBADI-UHFFFAOYSA-N 353.813 4.294 0 1 FIAF Cc1cccc(Cl)c1S(=O)(=O)N[C@H](C)Cc1c[nH]c2ccccc12 28820579 SEVDQAFWIZJRNN-CYBMUJFWSA-N 362.882 4.039 0 1 FIAF COCCCNC(=O)c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1 45202520 LSZOROCZALPTHL-UHFFFAOYSA-N 354.233 4.132 0 1 FIAF c1ccc2c(c1)[nH]c1c[n+](CC[n+]3ccc4c(c3)[nH]c3ccccc34)ccc12 49067489 NRXOIERIBIBJQI-UHFFFAOYSA-P 364.452 4.231 0 1 FIAF N[C@@H](COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12 73410303 VUDAXHCEPITOSW-LJQANCHMSA-N 361.420 4.318 0 1 FIAF c1ccc(CNc2ncc(-c3ccc(CNC[C@@H]4CCCO4)cc3)cn2)cc1 84672292 YNBZXAKROTXYTC-QFIPXVFZSA-N 374.488 4.024 0 1 FIAF CC(C)n1nc(Cn2nc3c(c2CCCCO)CCCC3)c2ccccc21 95589210 RSTHUGSXHAMJQV-UHFFFAOYSA-N 366.509 4.056 0 1 FIAF CC(=O)OC[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100912943 BLJIZPWSKVXUMY-FKUVIKGSSA-N 366.288 4.423 0 1 FIAF Cc1cc(Cc2[nH]c(=O)[nH]c2O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 169686994 ZZFTXXUUQNBOGX-UHFFFAOYSA-N 368.433 4.238 0 1 FIAF CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@@H](O)C[C@H](C)[C@@]12C 238779970 QYNLGACHLVBTPP-BUUGTLNOSA-N 360.450 4.138 0 1 FIAF CC(C)C[C@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 586902084 XKLPYWLBGGQZAY-NSHDSACASA-N 362.065 4.167 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2c1 586903503 KUWDSCHCVDOJRA-UHFFFAOYSA-N 358.781 4.090 0 1 FIAF Cc1ccc(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)o1 586904030 YEVRZWGHVRZMFU-UHFFFAOYSA-N 355.195 4.302 0 1 FIAF N[C@H](N=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587033703 ZUWMOLIDWHRGKK-QGZVFWFLSA-N 363.446 4.295 0 1 FIAF COC(=O)c1cccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c12 587050450 KWVJXGJOXMQXFT-UHFFFAOYSA-N 371.824 4.264 0 1 FIAF Cc1ccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1C(F)(F)F 587095133 QIUDODRTFATIQG-UHFFFAOYSA-N 360.261 4.241 0 1 FIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587095175 YSXNRHWZRWBWOF-NSHDSACASA-N 363.339 4.485 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc12 587150173 KVJBSJNAWOKLAJ-MRVPVSSYSA-N 368.181 4.447 0 1 FIAF COc1ncc(F)cc1-c1nc2c(C)c(C)c(Br)cc2[nH]1 587173854 BNIOSWXLTCUZNF-UHFFFAOYSA-N 350.191 4.152 0 1 FIAF CCOc1cc(OCC)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587397884 BPYFTPYKTRUYJD-OAQYLSRUSA-N 355.434 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(C)c1)[C@@H](C2)C3=O 587412206 HZWCOWDNEYFEFL-UGSOOPFHSA-N 359.219 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)cc1OCC1CC1)[C@@H](C2)C3=O 587428675 NZGFIHUDYLQCBR-HRAATJIYSA-N 354.377 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c1c(CC)nn3CC)CC2=O 587476870 RRFVXNIUGAVERZ-JOCHJYFZSA-N 368.477 4.321 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ncc[nH]1)CC2=O 587482841 KNHYMMVYVZLHNM-QFIPXVFZSA-N 362.429 4.285 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nc3sccn13)CC2=O 587498618 IRONWGQUKBWXDN-IBGZPJMESA-N 356.447 4.243 0 1 FIAF Cc1ccccc1OC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597702 ZTNJPNZJVOGUAC-PMACEKPBSA-N 362.381 4.110 0 1 FIAF O=C(O)CCc1[nH]c2cccc(F)c2c1CC(=O)c1ccc(Cl)cc1 587632747 KGQCZEIDHJSEGO-UHFFFAOYSA-N 359.784 4.403 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccn2)N1 587698695 IZXXWNISRSMNAK-GLEZIHRCSA-N 355.638 4.260 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(O)ccc2F)N1 587720703 UABKIELSWNIKLZ-XYZCENFISA-N 368.221 4.231 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)c(F)c2)N1 587724501 INGPXPBQUDNLRW-VVVCHXIZSA-N 367.237 4.107 0 1 FIAF CSc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1 587924543 CAFHZUSUPMFQMV-UHFFFAOYSA-N 356.520 4.441 0 1 FIAF Cc1cccc([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1C 962624982 ARYCFHNSVBCCGJ-OFNKIYASSA-N 360.457 4.040 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(C)nn(-c3ccccn3)c2C)N1 962941858 BHYAGEPRONILAO-HJPURHCSSA-N 371.488 4.379 0 1 FIAF Cc1cc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c2oc(N)nc2c1 963115300 VMYHETOOQGPSNU-YCRPNKLZSA-N 351.425 4.142 0 1 FIAF Cc1cc(Cl)ccc1O[C@@H](C)[C@]1(C)NCCc2c(C(=O)O)cccc21 963135048 WAGVGDZXUSUIIE-RBZFPXEDSA-N 359.853 4.175 0 1 FIAF CC[C@@]1(C)Cc2nc3nc(=S)n(-c4ccccc4)c(O)c3cc2CO1 8691078 UEWMUFOTZXGHBT-IBGZPJMESA-N 353.447 4.097 0 3 FIAF aggregator CCCC[C@H](C(=O)N(C)c1ccccc1)[C@@H](O)c1ccc(C(C)=O)cc1 203466803 FWDIBAPGANBHCV-SFTDATJTSA-N 353.462 4.392 0 3 FIAF CCc1noc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc12 3633466 QSFCQRWKAYUVTL-UHFFFAOYSA-N 366.465 4.174 0 1 FIAF CS(=O)(=O)c1ccc(-c2ccccc2C(=O)c2cccc(F)c2)cc1 13530507 QPBNAIKJFZPTJE-UHFFFAOYSA-N 354.402 4.127 0 1 FIAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ccncc2)/C1=C(\O)OC1CCCCC1 27562631 LAMBLTTXAJXKPL-PJCCXHTNSA-N 357.410 4.267 0 1 FIAF CC[C@]1(C(=O)N[C@H](C)COc2cc(F)ccc2F)[C@H](C)C1(Cl)Cl 29390087 MPBOAHOSHQCIGL-HFBDOXOYSA-N 366.235 4.068 0 1 FIAF O=c1ccc2c(OCCCCNc3ccncc3)c3ccoc3cc2o1 34640717 PNJBIOBKUDEOJV-UHFFFAOYSA-N 350.374 4.205 0 1 FIAF NC(=O)Nc1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)c(Cl)c1 34985181 VZDZEVPLKBVYAB-UHFFFAOYSA-N 353.809 4.294 0 1 FIAF Oc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)NC2)cc1 38322607 GFVWNDVQQZGNER-ISKFKSNPSA-N 372.512 4.435 0 1 FIAF CN(CCN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)C2(C)C 43010345 RUFBZCWKTFORNM-UHFFFAOYSA-N 355.526 4.077 0 1 FIAF CCC/C=C1/OC(=O)C2=C1CC[C@@H]1[C@H](C)[C@]3(OC(=O)C4=C3CCC=C4)[C@H]21 59588825 JRMOXPFUUJPSHB-YRKSMPLHSA-N 352.430 4.142 0 1 FIAF biogenic,in-vitro O=C(c1ccc(NCCn2cncn2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 64559676 GYOLLZWNPZHCEI-RBUKOAKNSA-N 366.852 4.030 0 1 FIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1 96929238 YKWKDJKRPXBHQV-VQIMIIECSA-N 367.468 4.141 0 1 FIAF CCOC(=O)[C@H]1[C@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1ccccc12 100665529 SZFUOECQXGHHAE-RAQPGAAPSA-N 361.463 4.052 0 1 FIAF COC(=O)/C1=C/C=C/C[C@@]2(C)C[C@@H](c3ccoc3)OC(=O)[C@@H]2CC[C@H]1C 138937126 LDIUDVOTXDYTPG-MXWYBOPXSA-N 358.434 4.366 0 1 FIAF O=C(Nc1ccccc1)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169727702 LEELBCVWRZWEHN-GASCZTMLSA-N 358.397 4.282 0 1 FIAF COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2CO)c(C(C)(C)C)c1 299813224 LVONHWRLBWQDCP-FCEUIQTBSA-N 368.473 4.429 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4cc(C)cc(F)c4[nH]3)n2C)cc1 586965769 QHVFHAUQWSLGPH-UHFFFAOYSA-N 367.453 4.407 0 1 FIAF COc1cccc(-c2ccc(-c3nc4cnnc(O)c4[nH]3)c(Cl)c2)c1 587051907 GOAJDSPFUUGYRI-UHFFFAOYSA-N 352.781 4.055 0 1 FIAF COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1F 587206856 YEVVTRCWHYURPJ-OAHLLOKOSA-N 365.449 4.193 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc(C)c(Cl)c(C)c31)O2 587377913 KZCYEWQSGHAWBU-HXUWFJFHSA-N 357.837 4.491 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(O)c(Cl)c1)[C@@H](C2)C3=O 587418727 ATYQAWVOGMKXCV-DYZYQPBXSA-N 351.185 4.196 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(F)cc1F)[C@@H](C2)C3=O 587426736 PNLMUIMWBVRKFF-LHSJRXKWSA-N 367.351 4.253 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1ccc(N)cc1)CC2=O 587468119 AYOHGTVVUXMJOU-HSZRJFAPSA-N 374.440 4.231 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(C)=O)c1)CC2=O 587470434 NDXCFSSTHSQISG-NRFANRHFSA-N 353.418 4.184 0 1 FIAF CC(C)(C)CC(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587511994 BGSPWNCDZOBOSC-UHFFFAOYSA-N 369.505 4.328 0 1 FIAF Clc1c(Br)cnc2[nH]c(CCOCc3ccccc3)nc12 587566093 UKFFNGODAZMYFI-UHFFFAOYSA-N 366.646 4.133 0 1 FIAF CCc1noc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588922 VIOBFVZXWXCWKO-WIYYLYMNSA-N 365.385 4.128 0 1 FIAF Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 587769547 GQBOOTSAMMCOIE-XTZNXHDOSA-N 374.257 4.168 0 1 FIAF Cc1cccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc12 587776360 WYZFZGTZISSPOT-APPDUMDISA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCOC3)CC2)N1 587834626 LTGOYPFTUDGSFG-KAMYHZANSA-N 368.290 4.298 0 1 FIAF Cc1csc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587852889 NXQLWWNVSSXUPB-VXJOIVPMSA-N 355.276 4.151 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Cl)s2)N1 587856241 WXLHQBZRTPOFIA-QTTZVWFDSA-N 361.667 4.322 0 1 FIAF Brc1cnc(Br)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc12 587968120 VGSOZGMKWWHIAX-XLPZGREQSA-N 369.060 4.163 0 1 FIAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C=C(c5nn[nH]n5)CC[C@]4(C)[C@H]3CC[C@@]21C 653712764 CBSJGFZRZULEDU-OVMLJTRSSA-N 366.509 4.361 0 1 FIAF Nc1ccc(-c2ccc3ncc4nc(O)n(C5CCCCC5)c4c3c2)cn1 653850083 KQBUYMDSBSYQND-UHFFFAOYSA-N 359.433 4.440 0 1 FIAF CC1(C)C[C@@]2(CCO1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962649552 XMJYMKXQCDNMDA-QPPBQGQZSA-N 362.517 4.218 0 1 FIAF COc1cc(-c2ccc3ncc(-c4cccs4)n3n2)cc(OC)c1OC 1857598362 WRJUHSMIBBVAAW-UHFFFAOYSA-N 367.430 4.151 0 1 FIAF CCC(=O)NCC1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 2382258765 VEVKZVVAVSQPPS-PKTZIBPZSA-N 363.505 4.111 0 1 FIAF O=C(NCCCCc1ccccc1)c1cccc(NC(=O)C2CCC2)c1 61936321 NJGQJAAPNDITOM-UHFFFAOYSA-N 350.462 4.178 0 3 FIAF COc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1Cl 13744280 DFOLAJVGZPYPKL-UHFFFAOYSA-N 363.866 4.091 0 1 FIAF CCCCNC(=O)c1sc2ncnc(N(C)c3ccccc3)c2c1C 20758255 OCVOKSUQSBXHHJ-UHFFFAOYSA-N 354.479 4.298 0 1 FIAF c1cnc(N2CCN(Cc3cccc4c3sc3ccccc34)CC2)nc1 26172575 VIRBYLWMYCFXOH-UHFFFAOYSA-N 360.486 4.167 0 1 FIAF CCOC(=O)N(C)C(=O)[C@@](CC)(OCc1ccccc1)c1ccccc1 26179719 BPKSWECYBWXVFN-NRFANRHFSA-N 355.434 4.124 0 1 FIAF CCCNC(=O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1 29037384 ACEBLJDVMMZUKR-UHFFFAOYSA-N 364.445 4.100 0 1 FIAF CC(=O)O[C@H]1/C=C(\C)CC/C=C(\C)[C@@H](O)C[C@@H](C(C)C)/C=C/[C@@](C)(O)C1 29042361 CLLDSYFHQCFUQA-BPCLXXDUSA-N 364.526 4.325 0 1 FIAF CC(C)(C)NC[C@@H](O)COc1ccccc1/C=C/c1cc(C(C)(C)C)no1 29233688 ORKREIKOVRVZAW-FMQWLBJXSA-N 372.509 4.270 0 1 FIAF CCC(=O)Oc1c(OC)c(OC)c(OC(=O)CC)c2cc(C)c(C)cc12 29311959 LVAYKTRJDOJLJG-UHFFFAOYSA-N 360.406 4.105 0 1 FIAF CCCC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(C)c2)NC(=O)N1 40503675 INROQSQRXHHFSQ-HXUWFJFHSA-N 364.445 4.147 0 1 FIAF COc1ccc([C@@H](C)NC(=O)Cc2ccc(Oc3ccccc3)cc2)nc1 66074566 SLGOSMKNDUJEQP-MRXNPFEDSA-N 362.429 4.302 0 1 FIAF CC(C)S(=O)(=O)N(Cc1ccc2c(n1)C=CC(C)(C)O2)c1ccccc1 73225022 HMJCQXZPBAUABD-UHFFFAOYSA-N 372.490 4.011 0 1 FIAF CC(=O)c1cccc(-c2cc(NCCCN(C)c3ccccc3)ncn2)c1 82162398 KFQJDLVIJQKLPY-UHFFFAOYSA-N 360.461 4.285 0 1 FIAF CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)Nc1cccc2ccccc12 84758489 NKSHVIJSFVSXPG-OAQYLSRUSA-N 374.440 4.362 0 1 FIAF Cc1c(C)c(O)c(/C(=C/CCCCC(=O)O)c2cccnc2)c(C)c1O 169712491 VFJRBCKYVQINBK-RQZCQDPDSA-N 355.434 4.495 0 1 FIAF COC(=O)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@H]1C3 257557691 USASLHCCADYMNF-FKEZPRMCSA-N 362.510 4.362 0 1 FIAF endogenous,in-man Cc1cc(Br)c2[nH]c(CSc3nnc(S)s3)nc2c1 587026294 WRSBUSOGJDAEQT-UHFFFAOYSA-N 373.326 4.066 0 1 FIAF OCc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587077181 SLOTWSKGJYFHSW-UHFFFAOYSA-N 351.793 4.143 0 1 FIAF Cc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1F 587119973 LPCBIMQVFOEKHE-UHFFFAOYSA-N 352.335 4.153 0 1 FIAF CC(C)(C)c1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2n1 587158865 YGSWJLMEXZLAED-HXUWFJFHSA-N 352.413 4.186 0 1 FIAF CSc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587162537 WQVPIKKTVJFAEW-UHFFFAOYSA-N 373.844 4.384 0 1 FIAF Fc1ncc(Br)cc1-c1nc2ccc(Br)cc2[nH]1 587177930 HMWLFOYHCCHYBN-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF CC(=O)c1cccc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)nc12 587395020 NBVBCRNWJZRWGL-QFIPXVFZSA-N 360.413 4.209 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2cc(O)ccc21 587408758 OFTVHOMRILHVET-QFIPXVFZSA-N 359.381 4.298 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cnc(C(F)(F)F)cc1C)[C@@H](C2)C3=O 587419441 CEVKBSVNIQMZIS-KPZWWZAWSA-N 363.335 4.080 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCc4c1[nH]c1c(C)cc(C)cc41)[C@@H](C2)C3=O 587438915 RRLOFQIVPNKYQD-GAJHUEQPSA-N 359.425 4.382 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c3c(c1)OCCO3)CC2=O 587458662 BGZYHXCMYBFPMK-QGZVFWFLSA-N 374.820 4.476 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc3ccccc3c21 587483894 MWQAUCJKZVIIIF-QHCPKHFHSA-N 373.408 4.311 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(CN(C)C)cs1)CC2=O 587496468 XZGFTLPPKVLKJD-FQEVSTJZSA-N 359.491 4.348 0 1 FIAF COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587506095 OZEKNLDKCSFPKA-IBGZPJMESA-N 354.377 4.198 0 1 FIAF COc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587511476 GWMWFLYZZNFQKL-NRFANRHFSA-N 374.440 4.466 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587513842 USJGHUKMKZXAPK-AVRDEDQJSA-N 371.477 4.347 0 1 FIAF C[C@@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591631 DFZYPNHKGFUXKV-UGKGYDQZSA-N 362.381 4.192 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCOc2ccccc21 587612537 VUXJHSIBRCFIPW-ZNRXUEPQSA-N 374.392 4.289 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C(F)F)N1 587717489 LFXMQEHXIARDQP-RMLUDKJBSA-N 359.189 4.408 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)ccc2F)N1 587725432 DLHWVAQBMVBYIK-NZFNHWASSA-N 373.628 4.399 0 1 FIAF Cc1cccc(N)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587750044 REEAGSSUUUDJGT-ADLMAVQZSA-N 363.274 4.277 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(C)(C)CCC(=O)O)N1 587826133 GRJVBMIVGRCALS-BMLIUANNSA-N 372.278 4.229 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CSCC(C)(C)C2)N1 587858038 OFRTZQDTQADZII-QFYYESIMSA-N 358.320 4.481 0 1 FIAF COc1cc(C2(c3nc4cc(Br)cnc4[nH]3)CC2)ccc1C 587925223 KCWRUUPEZDLDLN-UHFFFAOYSA-N 358.239 4.117 0 1 FIAF COc1cc(C2(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CC2)ccc1C 587927552 QSJYVHKKENZHLM-UHFFFAOYSA-N 358.344 4.281 0 1 FIAF COc1ccc(CCCc2nc3ccc(C(C)(C)C)nc3[nH]2)c(OC)c1 587928559 KAZYSEVHKQJXHR-UHFFFAOYSA-N 353.466 4.448 0 1 FIAF COc1cccc([C@@]2(CNC(C)C)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963097552 FTRVVCCJTDKWFS-REWPJTCUSA-N 368.496 4.096 0 1 FIAF C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1)n1nnc2ccccc21 1772649010 KKLACMBYUVPIBV-INIZCTEOSA-N 357.413 4.307 0 1 FIAF CN1C(=CC=C2C=Nc3ccccc32)C=C(N2CCOCC2)c2ccccc21 1857602884 SRYNROSKNQHXGM-UHFFFAOYSA-N 369.468 4.493 0 1 FIAF F[C@@H]1CN(Cc2c[nH]c3ccccc23)C[C@H]1OCc1nc2ccccc2o1 2356302455 VUWJMARBVQJSLW-OXQOHEQNSA-N 365.408 4.048 0 1 FIAF CCC=CCC=CC[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1OC(C)=O 2356524345 ADPYLPCYOQTHGO-CRLPYZIYSA-N 355.272 4.442 0 1 FIAF COc1ccc(C(=O)/C=C/NOCc2ccc(Cl)cc2Cl)cc1 3041062 NUHRCFFOKSCDCJ-CMDGGOBGSA-N 352.217 4.420 0 1 FIAF Cn1cc(C2=C(c3cc(Cl)cc(Cl)c3)C(=O)NC2=O)c2ccccc21 13447883 UVTLOYATPTULIH-UHFFFAOYSA-N 371.223 4.052 0 1 FIAF FC(F)(F)CCCCSc1nsnc1[C@@H]1CN2CCC[C@@H]1C2 13605374 RQAHWVOGBRVHRZ-GHMZBOCLSA-N 351.463 4.172 0 1 FIAF CN1C[C@H](c2cccc(OCc3ccc4ccccc4n3)c2)OC1=S 26180722 WPYQUFIGCFXQCO-LJQANCHMSA-N 350.443 4.102 0 1 FIAF O=C(O)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1 28523238 KYQZDIMNPXQJPU-ATVHPVEESA-N 367.788 4.456 0 1 FIAF Cc1[nH]cnc1C1CCN(c2ncncc2-c2ccc(F)c(Cl)c2)CC1 36176432 RWZXUCCSXXLDQI-UHFFFAOYSA-N 371.847 4.352 0 1 FIAF O=S(=O)(c1ccc(Cl)cc1)N1CCCCC(c2cccc(F)c2)=N1 40566830 INCIGCIRUXAVBS-UHFFFAOYSA-N 366.845 4.058 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@H](N)C3)s2)o1 40834013 NTUMJMHWGWBERQ-NWDGAFQWSA-N 366.556 4.403 0 1 FIAF CN1CCC[C@@H]1CCNCc1coc(-c2ccc(OC3CCCC3)cc2)n1 72180640 KCKPNHWNQMLTHD-LJQANCHMSA-N 369.509 4.237 0 1 FIAF CN1C/C=C/COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 82155020 QKJJEBZDSXDZMC-NSCUHMNNSA-N 372.472 4.405 0 1 FIAF CCc1ccccc1NC(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 100979075 DYBDDRSSYVBRRI-QZTJIDSGSA-N 353.466 4.159 0 1 FIAF CCCCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 101215783 CBWAHXDCCZWZGY-UHFFFAOYSA-N 362.351 4.384 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586885543 VXUKTFONUGLFCF-MLQVYSHPSA-N 350.235 4.327 0 1 FIAF O=[S@@](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)CC1CC1 586960744 XWBBNEVIZXXZAQ-RUZDIDTESA-N 367.499 4.498 0 1 FIAF Fc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1C(F)(F)F 587126282 WKVMVCWDUKVDAM-UHFFFAOYSA-N 361.245 4.427 0 1 FIAF Fc1cc(-c2nc3ccc(Br)cc3[nH]2)cc(N2CCCC2)n1 587177753 XUFJHYCQNDGZFY-UHFFFAOYSA-N 361.218 4.127 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cccnc4)cc1)[C@@H](C2)C3=O 587437403 ZLTKXNYCPUCYSI-PGRDOPGGSA-N 359.381 4.371 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(C(=O)O)cc1)CC2=O 587490853 SEQOPZRNJTUGRF-NRFANRHFSA-N 354.402 4.314 0 1 FIAF Cc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCCO2 587535556 KTMBRQMYIPKLCF-IBGZPJMESA-N 350.414 4.352 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccccc1F 587569923 SYXWVEHOLAASDT-RTBURBONSA-N 350.345 4.104 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCOC1CCCC1 587602472 XZEPEXINRIHOGC-PKOBYXMFSA-N 354.402 4.072 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N(C)C)N1 587756919 SJEGYZZUJUHJMA-ADLMAVQZSA-N 363.274 4.278 0 1 FIAF CC(C)N1CCC([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587769321 OSSVJUHSEDKNGM-KZULUSFZSA-N 369.322 4.284 0 1 FIAF CCOc1ccnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587769486 GIJMRFZDAPRPAJ-DYZYQPBXSA-N 365.246 4.006 0 1 FIAF Oc1nc2cc3nc(-c4cc(OCc5ccccc5)ccc4O)[nH]c3cc2[nH]1 587783117 XPFREMXVOJZKBJ-UHFFFAOYSA-N 372.384 4.096 0 1 FIAF C=Cc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790194 IAYFSTSTTHQHCH-XLFHBGCDSA-N 364.262 4.060 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@H]2CCCCC2=O)N1 587818468 DMYPQQWMOHIPBM-AEDCBLDQSA-N 368.290 4.487 0 1 FIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 587966859 HFOLPRDLJIARKH-HOSYDEDBSA-N 361.239 4.182 0 1 FIAF CSC1([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)CC1 962628401 ATURBCYXCIHAGX-PZJWPPBQSA-N 350.531 4.370 0 1 FIAF Cc1ccc(C)c(C[C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1 962659307 FCOGGPYXLJKJMU-URXFXBBRSA-N 374.484 4.234 0 1 FIAF O=C([C@H]1Cc2ccccc2[C@@](CC2CC2)(c2ccccc2)N1)C(F)(F)F 962732092 WPFPSMXLSJLYII-UYAOXDASSA-N 359.391 4.376 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2OCCC(=O)O)N1 962940922 BANJVFWVJFCOIT-QKKBWIMNSA-N 364.445 4.035 0 1 FIAF CC[C@]1(c2ccccc2Cl)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963220643 FDEZZGCIWDBJDA-TZIWHRDSSA-N 366.848 4.141 0 1 FIAF Cc1nc2ccccc2n1CCCC(=O)Nc1ccc(O)c2ncccc12 1857539602 OIMSGPLFWKVVTP-UHFFFAOYSA-N 360.417 4.017 0 1 FIAF C[C@@H](Nc1ncnc2[nH]cc(-c3ccc(F)c(CO)c3)c12)c1ccccc1 1857645131 ZBRYFWFIBJESPV-CYBMUJFWSA-N 362.408 4.429 0 1 FIAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(O)ccc1O 1911582193 MHGLQLCXTHMXTL-UHFFFAOYSA-N 365.229 4.388 0 1 FIAF CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc3ccccc3n2)n1 2382257053 LPOKUOXGOODHMB-UHFFFAOYSA-N 373.420 4.113 0 1 FIAF O=C(Nc1ccc(C(=O)Nc2ccccc2Cl)cc1)c1cccnc1 4659794 CGHAHMYLDCLKIT-UHFFFAOYSA-N 351.793 4.240 0 3 FIAF Cc1cc(=O)c(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 588134 RVXUQYKMAOJXAP-UHFFFAOYSA-N 374.845 4.339 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4295714 NGRJGAMRAFGTDG-PKOBYXMFSA-N 374.843 4.487 0 1 FIAF Cc1ccc(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)nc1 4922046 JNYBGJXNMNTXSS-UHFFFAOYSA-N 366.421 4.397 0 1 FIAF COc1cccc(CCN[C@@H]2CCCc3c2ccc(=O)n3CC=C(C)C)c1 13743311 MQVSWHLTWWHNRD-OAQYLSRUSA-N 366.505 4.033 0 1 FIAF Cc1ccc(Sc2ccccc2NCCCN2CCN(C)CC2)cc1 22938729 CUFKDRNZALZYLU-UHFFFAOYSA-N 355.551 4.196 0 1 FIAF c1cncc([C@H]2c3[nH]c4ccccc4c3CCN2CCCN2CCCCC2)c1 31829931 FOJAESRSRCGLSK-DEOSSOPVSA-N 374.532 4.386 0 1 FIAF COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1C(=O)O 38794061 OEIBPYXEHRSJOU-UHFFFAOYSA-N 360.369 4.370 0 1 FIAF in-vitro O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccoc1 40861002 FHZBUNWPMXSOKQ-UHFFFAOYSA-N 354.369 4.419 0 1 FIAF CCCCN(C)c1nc(C)nc2c(-c3c(C)cc(OC)cc3C)c(C)nn12 62233463 HYMFVRVVSVXOCZ-UHFFFAOYSA-N 367.497 4.270 0 1 FIAF CC(C)CN1C(=O)N2CCc3ccccc3[C@]2(c2ccc(Cl)cc2)C1=O 68571994 WFGYYKVOETULQU-OAQYLSRUSA-N 368.864 4.060 0 1 FIAF biogenic CSc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl 71340903 YJBCUGVZUWUTAV-UHFFFAOYSA-N 366.277 4.303 0 1 FIAF CCCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC 73163066 COPKIULYTSVJJF-UHFFFAOYSA-N 355.221 4.438 0 1 FIAF COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2cccc(C)c2)n1 82173901 NONYWCHBAKOAFF-UHFFFAOYSA-N 354.479 4.251 0 1 FIAF COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccncc4)nnc3c2)c1 96167703 PUBINLNXEZMAOT-UHFFFAOYSA-N 373.416 4.156 0 1 FIAF COc1cccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)c1 103953711 FJGDBJSNGGZHFS-AWEZNQCLSA-N 369.446 4.127 0 1 FIAF COc1cccc(F)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cnc2ccccc2c1 167046048 JMFKYGMKQKXEDK-AUUYWEPGSA-N 364.420 4.492 0 1 FIAF CN(C(=O)c1ccccc1)[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169322535 CBKITFXAXRCKLT-UTKZUKDTSA-N 359.473 4.002 0 1 FIAF OCC1(NCc2cccc(-c3ccc(F)c(C(F)(F)F)c3)n2)CCCC1 204414432 WPOJSUOBZSNHRN-UHFFFAOYSA-N 368.374 4.301 0 1 FIAF Nc1cc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ccn1 224746398 NPEQCKLLZMPVOK-UHFFFAOYSA-N 373.391 4.301 0 1 FIAF O=S1(=O)C=C(c2ccc(O)cc2Cl)C(c2ccc(O)cc2Cl)=C1 584905034 YAJJGZGGQSGJNJ-UHFFFAOYSA-N 369.225 4.215 0 1 FIAF in-vitro Cc1cc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)ccc1Br 586977917 VJZCRELKGNDJRQ-UHFFFAOYSA-N 363.186 4.062 0 1 FIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Cl)cncc3[nH]2)s1 587023109 KKEUMUWHYUVEPR-UHFFFAOYSA-N 351.819 4.082 0 1 FIAF Fc1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1Br 587031660 KDWRJIXSLRDKOY-UHFFFAOYSA-N 353.216 4.266 0 1 FIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc5ncccc5c4[nH]3)cc2N1 587125728 SSIYNAUSQPMPTA-OTYXRUKQSA-N 372.354 4.282 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3cc(Br)ccc31)O2 587371652 MFFDZFSISCBZHN-GOSISDBHSA-N 372.218 4.107 0 1 FIAF COc1cc2c3c(c1)O[C@@H]([C@@H](C)c1cccc(Br)c1)[C@@H](C2)C3=O 587417803 MHQXGARSKWEFPH-PYFOHURJSA-N 373.246 4.377 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OC(F)F)[C@@H](C2)C3=O 587421897 MIRBXWMBQPFMET-SJCJKPOMSA-N 366.747 4.439 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCSc4cc(C)c(C)cc41)[C@@H](C2)C3=O 587452387 MIHSHRMKOFTJDQ-KKSFZXQISA-N 352.455 4.451 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc(C(F)(F)F)c1)CC2=O 587464234 LZIJQCXTKQZPSY-OAHLLOKOSA-N 351.324 4.465 0 1 FIAF Cc1cc(N)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576063 FDAARNKBUBNULG-KNQAVFIVSA-N 361.397 4.160 0 1 FIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1 587746597 HLTLAOGTXVFBIA-ADLMAVQZSA-N 363.274 4.277 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ncccc23)N1 587805200 SIVLLDRFANPNKK-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF CC(C)[C@H]1C[C@]2(CS1)N[C@H](C)Cc1ccc(F)c(Br)c12 587858302 PZFFRSNRPAPAIU-CKUKBARFSA-N 358.320 4.479 0 1 FIAF CC(C)Oc1cc2nc(C[C@H](C)CCC(=O)O)[nH]c2cc1Br 587961289 RGFYMRHJQCOPQM-SNVBAGLBSA-N 369.259 4.156 0 1 FIAF Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)n1 653847620 CZFPKKDYOUXXKB-UHFFFAOYSA-N 370.380 4.089 0 1 FIAF COc1ccc(OC)c(-n2c(-c3ccccc3)nc3ccccc3c2=N)c1 1772579575 GEWXSNLGAOGSBV-UHFFFAOYSA-N 357.413 4.189 0 1 FIAF COc1cc(C(=O)NCc2ccc3sccc3c2)ccc1-c1cn[nH]c1 1772632299 ADMZUAQDCHMTRI-UHFFFAOYSA-N 363.442 4.230 0 1 FIAF COc1ccc2nc(-c3cccc(-c4ccc(OC)c(OC)c4)n3)[nH]c2c1 1911573891 FVYQYESIWKXVBC-UHFFFAOYSA-N 361.401 4.318 0 1 FIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CCC[C@@H](C(=O)OC)[C@@]21C 2356654676 GQMLMDPVGSEQPG-PVMRSWARSA-N 360.450 4.290 0 1 FIAF CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@@H](C)N(C)C)=CC[C@H]34)[C@@]2(C)C[C@@H]1O 2356662941 NGSWUPZJKYFTDE-BBMOEGSMSA-N 373.581 4.421 0 1 FIAF O=C(O)C[C@H]1COc2cc(OCc3nc(-c4ccccc4)cs3)ccc21 59570332 OTHQVFSMEXTSSC-AWEZNQCLSA-N 367.426 4.340 0 1 FIAF CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)COCc2cc(-c3cccs3)on2)C1 101502381 PEAGNNHEHPPKKJ-QRWLVFNGSA-N 374.506 4.347 0 1 FIAF COc1ccc2c(c1)CCC=C2CCCN1CCN(c2ccccn2)CC1 25985532 YFQVEXXLLCTPSB-UHFFFAOYSA-N 363.505 4.022 0 1 FIAF CN1CCC(c2c[nH]c3cccc(NC(=O)c4ccc(F)cc4)c23)CC1 27316053 QNRGYHHQORRYMY-UHFFFAOYSA-N 351.425 4.369 0 1 FIAF COCCn1cc(-c2ccnc(Nc3cccc(OC)c3)n2)c2ccccc21 28976029 VSRLHJUUUGWYKE-UHFFFAOYSA-N 374.444 4.497 0 1 FIAF COc1ccc(-c2csc([C@H](NC(C)=O)c3cccc(OC)c3)n2)cc1 61925768 NTFOPTDUDSYAKW-LJQANCHMSA-N 368.458 4.053 0 3 FIAF CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)Cc3ccoc3)[C@@H]1C2 26504158 BLQALASUVZIUBI-JBZQRQEZSA-N 373.493 4.190 0 1 FIAF CC1(C)C=Cc2c(ccc3[nH]c4c(c23)CCn2c-4nc3ccccc3c2=O)O1 2356808900 ALCQRUPUCBKBMV-UHFFFAOYSA-N 369.424 4.285 0 1 FIAF COc1cc(F)ccc1-c1csc([C@H](O)c2ccc(F)c(F)c2)n1 61925885 CHYHIAVZSOSSHK-MRXNPFEDSA-N 351.349 4.318 0 3 FIAF CN(CCOc1ccccc1C(C)(C)C)C(=O)Nc1ccccc1C(=O)O 218557300 IJPFFIAGVZVCKR-UHFFFAOYSA-N 370.449 4.225 0 1 FIAF Fc1ccc2c(c1)CC[C@H](c1nnc(-c3cc(F)c(F)c(F)c3F)o1)O2 1911576414 RVMOAVZBGBFMMX-GFCCVEGCSA-N 368.261 4.498 0 1 FIAF C[C@@H](Nc1nc(-c2cc(C(=O)O)ccc2Cl)cnc1N)c1ccccc1 95920567 NKUNTWSMUIPKSU-LLVKDONJSA-N 368.824 4.251 0 1 FIAF in-vitro NC(=O)c1ccc(NCc2ccc(F)c(C(F)(F)F)c2)c2cccnc12 143903929 ZCKDTUWMABZVAA-UHFFFAOYSA-N 363.314 4.104 0 1 FIAF N=c1nc(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc[nH]1 2382241850 SBPGEXSXWVMLEM-UHFFFAOYSA-N 359.216 4.115 0 1 FIAF CC(C)C(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)C(C)C)ccc1-2 653782620 XIZYCOKHOLTPID-UHFFFAOYSA-N 350.418 4.087 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncn(C)c3c2)N1 587754000 CHIDBHPPUDDWAX-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(F)cc32)N1 587729140 GGMKCPSXWFXODC-XTZNXHDOSA-N 364.233 4.451 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(Nc3cccnc3)s1)O2 587415120 XDSCWDHQODVZJJ-LJQANCHMSA-N 366.446 4.053 0 1 FIAF Cc1ccc2c(ccc3nc(-c4cn(-c5ccc(Cl)cc5)nn4)[nH]c32)n1 587074980 CSBMVMHAAWERQX-UHFFFAOYSA-N 360.808 4.321 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN2CCCCC2)N1 587768411 VBFOQYLTZGGRSE-SCLBCKFNSA-N 369.322 4.214 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)cnc1Cl)[C@@H](C2)C3=O 587421977 MWJLTBIGUNLYMO-BONVTDFDSA-N 369.726 4.251 0 1 FIAF Cc1c[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790098 HDAAUUAAVZKFEZ-BMLIUANNSA-N 351.263 4.331 0 1 FIAF Cc1cccc(NC(=O)Cc2nc3cccc(Br)c3[nH]2)c1C 587239226 MLOBMQSACJUAKY-UHFFFAOYSA-N 358.239 4.123 0 1 FIAF Cc1[nH]c2ncccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587803460 PZVVZYABODSTGS-HUTHGQBESA-N 374.257 4.397 0 1 FIAF CCCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587762771 FXRHEYSQRVYMCS-BMLIUANNSA-N 366.278 4.127 0 1 FIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(F)c(Cl)cc2[nH]1 587039447 RUVPZHGMYDIUQI-UHFFFAOYSA-N 369.809 4.221 0 1 FIAF Cc1cc(Br)ccc1OCc1nc2cc(F)c(F)cc2[nH]1 586981591 QWYGZACYCXAICJ-UHFFFAOYSA-N 353.166 4.491 0 1 FIAF COc1ccccc1C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587807781 MHHCSXXKJMTQAV-PIGZYNQJSA-N 364.258 4.415 0 1 FIAF CC(C)[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356555 KDKQJUZEUDOSFE-ONTIZHBOSA-N 370.420 4.464 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(O)c1F 587557340 MVMRFJDENYHNSA-MGPUTAFESA-N 370.307 4.079 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ncccc1Br)CC2=O 587458373 SJOMAOGQEOZLBX-HNNXBMFYSA-N 362.223 4.209 0 1 FIAF CCOC[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587809394 RGZCFKHNDVENLG-ZUCKAHLUSA-N 356.279 4.154 0 1 FIAF Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1C 587234240 ICJURGPJZNTJCV-UHFFFAOYSA-N 357.454 4.043 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(O)c2F)N1 587720688 TYZFTGYRTLEJQF-VGDKGRGNSA-N 372.184 4.196 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2cc(C)c(C)cc2[nH]1)C(F)(F)F 587091854 GUIWJKGVPZJNHC-GOSISDBHSA-N 363.383 4.343 0 1 FIAF CC(C)(C)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2n1 587174749 SCGVAPNNKMWVDS-FQEVSTJZSA-N 353.397 4.023 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc3c(c1)CCO3)CC2=O 587494202 XSKRQFFSPVDFCZ-MRXNPFEDSA-N 352.430 4.246 0 1 FIAF Clc1cccc(/C=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)c1Cl 587053612 GMKVDPIWRUTWKH-QPJJXVBHSA-N 357.204 4.016 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(c1ccccc1)C2 587579991 AXRSCLXZZLQNDU-NFBKMPQASA-N 373.408 4.003 0 1 FIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 587108958 JSDCZGWECSODCC-UHFFFAOYSA-N 360.213 4.364 0 1 FIAF Cc1sc2c(c1C)CCNC21CCN(c2ncnc3sccc23)CC1 963018444 FPFJOBQNEUXQBQ-UHFFFAOYSA-N 370.547 4.011 0 1 FIAF COc1ccc(-c2ccc(C(=O)c3ccc(F)c(OC)c3)nc2)cc1F 1772598189 IBYQLSDAWWWXGV-UHFFFAOYSA-N 355.340 4.275 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4c5nonc5CC[C@]4(C)[C@H]3CC[C@]12C 5711876 BAZMQTKNLZZEHX-RWYQPBSLSA-N 358.482 4.274 0 1 FIAF Cc1nc2ccccc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13652468 PQFQUQADISKBER-UHFFFAOYSA-N 366.428 4.240 0 1 FIAF CCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1 13818076 PWYSKXCZAVHRME-UHFFFAOYSA-N 370.494 4.432 0 1 FIAF CC(=O)Oc1cccc([C@@]23CC[C@@H](C2)N(CCc2cccs2)CC3)c1 169314270 FRKCPFGXUYXIMQ-GHTZIAJQSA-N 355.503 4.412 0 1 FIAF C[C@](O)(c1cncc(-c2nc3ccc(F)cn3c2C2CC2)c1)C(F)(F)F 204961068 OWGUKRPUVVBJPH-KRWDZBQOSA-N 365.330 4.183 0 1 FIAF O=C(O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1 205439669 SVJHJKJDYXZCKX-UHFFFAOYSA-N 372.428 4.467 0 1 FIAF CCc1ccccc1N(CC)C(=O)Cc1c(C(=O)O)[nH]c2ccccc12 201587 AISHILNYBGPAKY-UHFFFAOYSA-N 350.418 4.024 0 1 FIAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214056 AFNARRDFYIYFQY-PMXSJFBMSA-N 372.509 4.120 0 1 FIAF CN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCCC[C@H]1N1CCCC1 26838027 KILKAFDVKRZHIX-FCHUYYIVSA-N 350.506 4.248 0 1 FIAF CCO[C@H](c1ccc2c(c1)OCCO2)[C@H](SC(C)(C)C)n1ccnc1 45365263 CAUHKDAIFSLMRU-MSOLQXFVSA-N 362.495 4.462 0 1 FIAF Cn1c(=O)oc2cc(-c3cc(C(F)(F)F)nn3-c3ccccc3)ccc21 58591087 KMARUCKFIFRIDT-UHFFFAOYSA-N 359.307 4.003 0 1 FIAF COC(=O)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1 73139691 ZULVANCLHAFPAG-UHFFFAOYSA-N 369.380 4.215 0 1 FIAF COc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(O)c3)s2)cc1 73170113 JJLBGXUIOAUPPK-UHFFFAOYSA-N 353.443 4.402 0 1 FIAF Cc1c(C(=O)Nc2ccccc2)oc2cccc(OC3CCNCC3)c12 95554789 UCSHEYCZTRGXCI-UHFFFAOYSA-N 350.418 4.124 0 1 FIAF O=S(=O)(c1cccc(F)c1)N1CCCc2cc(-c3cccnc3)ccc21 299827967 QQFKACGGSRPRTG-UHFFFAOYSA-N 368.433 4.029 0 1 FIAF CC(C)(CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(=O)O 586990067 IMAXVMKULGTEKQ-UHFFFAOYSA-N 361.397 4.195 0 1 FIAF Oc1nc(S)nc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 587126276 WGQCTMFEMUDDMY-UTCJRWHESA-N 370.381 4.130 0 1 FIAF Fc1ccc(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(F)c1 587148186 GHJZNAAGDBZFSH-RQOWECAXSA-N 360.673 4.425 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(Cc3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 587347440 AWXGDSUHHPCHQI-OFNKIYASSA-N 374.367 4.068 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CCC1)([C@H](C)C(=O)OC(C)(C)C)O2 587399254 HTLJOLUINJZDMK-LRTDBIEQSA-N 359.466 4.059 0 1 FIAF CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587401805 YNNHHJKFVAJWBI-KUWXLVNESA-N 371.477 4.227 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCc4c(Br)cccc41)[C@@H](C2)C3=O 587418746 VCSPSNVAMZFFNW-IFXJQAMLSA-N 371.230 4.047 0 1 FIAF O=C(NC1CC1)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511371 KAFYPOXUTKGUSM-OAQYLSRUSA-N 361.441 4.164 0 1 FIAF O=C1C[C@@](c2ccccc2)(c2ncccn2)Oc2c1ccc1c2CCCC1 587515192 LPYIKLJIFPXWSL-HSZRJFAPSA-N 356.425 4.264 0 1 FIAF C[C@@]1(c2c[nH]c3nccc-3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590218 RWSXNIYTYUVZHN-GCJKJVERSA-N 372.380 4.097 0 1 FIAF Cc1c(-c2ccc(OC(F)F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650368 TUFURXVQAHFPLQ-UHFFFAOYSA-N 351.374 4.148 0 1 FIAF COc1ccc(F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587727166 ATPJYRVOQLLTIQ-XYZCENFISA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccccc2)N1 587796682 UKKSVZGSUFUTLW-SGTLLEGYSA-N 364.258 4.417 0 1 FIAF CC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587844842 BZXLCBUOZHQLAB-BCTVWOGZSA-N 368.271 4.476 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)cc(C)n1 587865607 DBIHULLQVLNGBW-UHFFFAOYSA-N 362.355 4.364 0 1 FIAF CC[C@]1(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC(=O)c2ccccc2C1 587961125 PZKHMSRJFZJGHT-HSZRJFAPSA-N 373.456 4.216 0 1 FIAF CC[C@]1(c2c(F)cccc2F)NCCc2cc3cccc(OC)c3nc21 963050760 CXFQNFCDFLFVIP-OAQYLSRUSA-N 354.400 4.321 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2C12[C@H]1CC3C[C@H]2CC(NC(C)=O)(C3)C1 963235131 FYJPVDLSVKEMIW-YLVSDNNBSA-N 366.549 4.253 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1c(Cl)nc2sccn12 963257126 HPMPJDWRSFNTHB-MRXNPFEDSA-N 368.289 4.120 0 1 FIAF O[C@]1(Cc2cc(-c3cn[nH]c3)on2)CC[C@@H](Cc2ccc(Cl)cc2)CC1 1772578140 CLYRNYIXMLBOSD-SGNKCFNYSA-N 371.868 4.425 0 1 FIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3(C)CCC3)c2cn1)c1ccccc1 1772614462 AVJNFFGFWAAZEU-CYBMUJFWSA-N 364.453 4.195 0 1 FIAF Cc1ccccc1-n1cnc2nc(SCc3ccccc3)sc2c1=O 1857599025 ALBXKROVAONKGC-UHFFFAOYSA-N 365.483 4.443 0 1 FIAF C[C@@]12C[C@H]3C[C@@](C(=O)N[C@H]4CC[C@H](N)CC4)(C1)C[C@@](c1ccccc1)(C3)C2 1911574447 TZNRCHUCVIMHIH-PKOIZEAMSA-N 366.549 4.301 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2CC=C(C)C3=CC[C@@H]4[C@@H]3[C@@H]2[C@@H]1C[C@H]4OC(C)=O 2356474613 YNTWKKJWHMCMFN-RBGUSWJUSA-N 358.478 4.054 0 1 FIAF COc1ccc(C[C@@H](C)[C@@H](C)Cc2cc(O)c(OC)c(O)c2)cc1OC 2356760223 PUBWXEQTXGPOAK-KGLIPLIRSA-N 360.450 4.181 0 1 FIAF Cc1cc(O[C@H]2CCN(C(=O)Nc3ncc(Cl)s3)C2)ccc1Cl 2382256218 LUSWBGKAUNFMSF-NSHDSACASA-N 372.277 4.444 0 1 FIAF Cc1c(-c2ccc(Cl)cc2)oc(=O)c2c(N)n(-c3ccccc3)nc12 988102 UTJBBAVMVLFLHZ-UHFFFAOYSA-N 351.793 4.190 0 3 FIAF O=C(NCCCc1ccccc1)c1cccc(NC(=O)C2CCCC2)c1 61936309 OTLCBERMUGSTLF-UHFFFAOYSA-N 350.462 4.178 0 3 FIAF Nc1nc2cc(CNc3ccc(C(=O)O)cc3)ccc2nc1-c1ccccc1 1641914 VKJYCGOMVZQVLV-UHFFFAOYSA-N 370.412 4.189 0 1 FIAF COc1ccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1 3815269 CNEAVADKWYPXBR-UHFFFAOYSA-N 351.797 4.426 0 1 FIAF CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1 13475372 KXRWORMMOREIQT-IBGZPJMESA-N 371.521 4.355 0 1 FIAF O=C(NCC[C@H]1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1 13525938 YDJIOVNVJAFPLG-FQEVSTJZSA-N 369.468 4.138 0 1 FIAF COc1cccc(NC(=O)N[C@@H](CCN(C)C)c2ccc(Cl)cc2)c1 13684877 GKCBYQDOKZXTMJ-SFHVURJKSA-N 361.873 4.163 0 1 FIAF COc1ccc(-c2cc3c(NC(=O)C4CCCCC4)ncnc3o2)cc1 14946135 WVCSGKQGMRQFET-UHFFFAOYSA-N 351.406 4.417 0 1 FIAF C[C@@H](C(=O)O)c1cc(C(=O)c2ccccc2)ccc1OC(=O)C(C)(C)C 26004296 ZPUYCRYADASOHO-CYBMUJFWSA-N 354.402 4.057 0 1 FIAF O=C1N(CCCCCOc2ccc(Cl)cc2)CCN1c1cccnc1 29395776 RWZLAOCODDWFRT-UHFFFAOYSA-N 359.857 4.226 0 1 FIAF O=C(Nc1ccccc1-n1cccn1)c1cccc2c1C(=O)c1ccccc1-2 38267349 MLLZGVYZXPBSDG-UHFFFAOYSA-N 365.392 4.336 0 1 FIAF CCN(CC)CCCNCCCCNc1ccnc2cc(Cl)ccc12 40616225 HTPUYABIAVQHLB-UHFFFAOYSA-N 362.949 4.402 0 1 FIAF CCCCO[P@](=O)(NCCC)[C@H](C)NC(=O)OCc1ccccc1 40876605 IOYMPWQDMZBKRA-MYYSRTQBSA-N 356.403 4.268 0 1 FIAF O=c1cc(CSC(=S)N2CCCCC2)oc2cc(Cl)ccc12 43059585 GCVHMTVBKAWQPM-UHFFFAOYSA-N 353.896 4.450 0 1 FIAF COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 45188768 CVGVOOORORQOOE-XIKOKIGWSA-N 354.277 4.256 0 1 FIAF C[S@@](=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1 49112934 POXFREUZWCETIK-GYCJOSAFSA-N 362.520 4.183 0 1 FIAF O=C(CCCCCCCCCCc1ccccc1)[C@H]1C(=O)CC[C@H](O)C1=O 85910913 YKNFYZLEJAATOF-VXKWHMMOSA-N 372.505 4.218 0 1 FIAF biogenic CN(C)CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 96938380 MFVCXSJFIFGLQU-UHFFFAOYSA-N 363.505 4.372 0 1 FIAF CCOc1ccc(-c2nc(-c3c[nH]c4ccccc34)cnc2O)cc1OC 299828124 GXFBYIMHHCRKIV-UHFFFAOYSA-N 361.401 4.405 0 1 FIAF Cc1cc(C(=O)N[C@H](CC(=O)O)c2ccc(Cl)c(Cl)c2)c(C)o1 299857689 PAKYXZHVOCIMNW-CQSZACIVSA-N 356.205 4.149 0 1 FIAF CCO[C@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)s1 587014836 RNBNCHHNRLUHJP-MRVPVSSYSA-N 367.377 4.414 0 1 FIAF Sc1nc(S)c2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2n1 587053038 ZQZMUQKDRXSILA-UHFFFAOYSA-N 359.867 4.041 0 1 FIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2nc(Br)c[nH]c-2n1 587066121 JBMKDDQWUXJMMJ-MRVPVSSYSA-N 367.634 4.169 0 1 FIAF Clc1ccc2ccn(Cc3nc4cc(Br)cnc4[nH]3)c2c1 587081066 QTCRRNYPNLJMLP-UHFFFAOYSA-N 361.630 4.377 0 1 FIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(Cl)c4[nH]3)cc2N1 587125999 IQACSQGLARXCST-WRWORJQWSA-N 355.751 4.387 0 1 FIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)nc2[nH]1 587148971 CBUVRDGFEGAPKM-ZETCQYMHSA-N 354.154 4.139 0 1 FIAF Fc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)O2 587175615 ZYNZDTLBDREBJA-GFCCVEGCSA-N 373.256 4.427 0 1 FIAF CC(C)O[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587359051 ZLMUQCIUEPRZDT-DYXWJJEUSA-N 356.393 4.216 0 1 FIAF CCOC(=O)C[C@@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587376613 DQXXKNJLJDFZRC-HXUWFJFHSA-N 373.836 4.045 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(F)c1)O2 587386921 XUOFFNILNZVKMO-HNNXBMFYSA-N 350.187 4.185 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3ccccn3)c1)O2 587393070 BIMCSXSEPHBBKL-OAQYLSRUSA-N 360.413 4.258 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)nc1 587551423 FFXRLASFPDPPQD-QFBILLFUSA-N 353.761 4.144 0 1 FIAF CCC(=O)CC[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587814201 RURDVLHLTHFVLU-DIFFPNOSSA-N 356.279 4.487 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2C=O)N1 587815198 KQBUCBSSMYHMJY-ADLMAVQZSA-N 362.242 4.198 0 1 FIAF Cc1cc(O)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587835502 XOLICIDYJMRHAV-BBATYDOGSA-N 364.258 4.400 0 1 FIAF CC(=O)SCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587846719 QZRIKDRNQPSILA-ZANVPECISA-N 360.292 4.223 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccnc1-n1cnc(Cl)n1 963239032 ITLXRILATBSJLY-KSSFIOAISA-N 367.884 4.062 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c[nH]c2c3c(ccc12)CCC3 963635626 NHHVNABBSNSOAX-NPMABZOXSA-N 362.473 4.297 0 1 FIAF CCOc1ccccc1-c1cc(F)cc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772597085 FTISRPHTPVPGKV-QGZVFWFLSA-N 370.380 4.189 0 1 FIAF COc1ccc(C(=O)CCNCCc2ccc(C(F)(F)F)cc2)cc1 1857567358 DBMMUVGMGVIXNW-UHFFFAOYSA-N 351.368 4.119 0 1 FIAF CN(C)Cc1ccc(-c2cc3c(-c4ccc(C(N)=O)cc4)ccnc3[nH]2)cc1 1857751550 JMPYOBZSMKYCFM-UHFFFAOYSA-N 370.456 4.057 0 1 FIAF Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(=O)O)cc2)n1 1857768880 FQXAGAGVHFSQNC-UHFFFAOYSA-N 367.430 4.014 0 1 FIAF COc1cc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)[nH]n2)ccc1O 2356708327 LKLASFRCXLTNMY-UHFFFAOYSA-N 364.401 4.179 0 1 FIAF Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1 38318181 APUCFXHENVUXCY-UHFFFAOYSA-N 356.429 4.302 0 1 FIAF NCCCCN(Cc1cc2ccccc2cn1)[C@H]1CCCc2cccnc21 49088329 ITTTWLONGNMMSU-QFIPXVFZSA-N 360.505 4.248 0 1 FIAF COc1ccccc1[C@]1(O)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185147 JPSSDJSKUUWHMS-FEJSZKPUSA-N 362.473 4.191 0 1 FIAF Cc1[nH]c(C)c(-c2ccc(C#Cc3ccc(F)cc3F)nc2)c(=O)c1Cl 142594010 LAFNWNUZFDMTFL-UHFFFAOYSA-N 370.786 4.385 0 1 FIAF CC(=O)O[C@H]1/C=C(\C)CC/C=C(/C)[C@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169364162 CLLDSYFHQCFUQA-WCKVTTEPSA-N 364.526 4.325 0 1 FIAF Cc1ccc2c(c1)nc(-c1cccs1)n2-c1ccc2c(N)nc(N)nc2c1 169706542 YXGIUKWLVPBVRP-UHFFFAOYSA-N 372.457 4.170 0 1 FIAF COc1c(CC=C(C)C)c(O)cc2occ(-c3ccc(O)cc3O)c(=O)c12 238759992 GOHJRUQHKCNWCT-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF COc1cc(N2CC[C@H](c3cccc(Cl)c3)C2=O)ccc1-c1cn[nH]c1 584629654 LFPHWGSDTGETCZ-GOSISDBHSA-N 367.836 4.259 0 1 FIAF Fc1c(Br)cc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1F 586918841 SDUYYRLVIJKZQA-NSHDSACASA-N 367.149 4.116 0 1 FIAF CCN(CC)CCc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987313 CXNFGWGCIATNET-UHFFFAOYSA-N 360.457 4.345 0 1 FIAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023263 HAFVUTOGXDMIDY-UHFFFAOYSA-N 369.471 4.147 0 1 FIAF N=C(N)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587112638 PHWPXODONDSOGO-UHFFFAOYSA-N 355.323 4.081 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCCCC[C@H]2O)[C@H]1c1ccc(F)cc1 587349849 GCUTZIXLLBZMBX-URVUXULASA-N 370.420 4.344 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC3CCOCC3)cc1)O2 587412808 PFWKIVZRRKGICU-JOCHJYFZSA-N 367.445 4.016 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCC(C)CC4)cc1)[C@@H](C2)C3=O 587438940 SBNXLIHCTJTRLH-WMZHIEFXSA-N 363.457 4.420 0 1 FIAF CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587447808 VTFYRCVFIMBTGW-QAXVFBSWSA-N 372.461 4.263 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(CC1CCC1)CC2=O 587479459 IMBNVWQHBXCRLQ-OAQYLSRUSA-N 360.450 4.192 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(C(C)C)cc21 587480529 DJNKBOPKHXIWOJ-QFIPXVFZSA-N 365.429 4.281 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)C(=O)OC)CC2=O 587481663 RFKVCYUAERUYAJ-RCDICMHDSA-N 368.429 4.015 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)c1ccc(OC)c(OC)c1)CC2=O 587484071 WEHKCSUFVWRPEF-RBZFPXEDSA-N 370.445 4.499 0 1 FIAF Cc1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N(C)C)n1 587497009 DNKDOXZFFNAQSM-MRXNPFEDSA-N 371.868 4.090 0 1 FIAF O=C(O)c1cnc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497041 DXRMMQJKTCXKLP-INIZCTEOSA-N 357.793 4.019 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587509411 CMZDVYPTIOLJFG-QRQCRPRQSA-N 371.477 4.347 0 1 FIAF Cc1ccc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2c1 587590884 ZZPBPQGEBCCGCJ-DENIHFKCSA-N 372.380 4.051 0 1 FIAF Cc1ccc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2c1 587590887 ZZPBPQGEBCCGCJ-UGKGYDQZSA-N 372.380 4.051 0 1 FIAF C[C@@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612051 TWNJCYLBIWTGRE-OFNKIYASSA-N 374.392 4.204 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C(C)(C)C)c2)N1 587760050 NURAOWSFOWVOPI-QLJPJBMISA-N 366.278 4.163 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccn2n1 587860558 ZVFNDDIWHTWOMP-UHFFFAOYSA-N 374.231 4.288 0 1 FIAF Cc1ccc(-c2csc(/C(=C/c3ccccc3O)C(N)=O)n2)cc1C 587921467 ZSHOBZQHRKOBCD-MHWRWJLKSA-N 350.443 4.158 0 1 FIAF Cc1ccc(C)c(S/C=C2\NC(=O)c3c(sc(C(=O)O)c3C)N2)c1 958054872 VHDJJBBQAAVFHC-KPKJPENVSA-N 360.460 4.118 0 1 FIAF C[C@]1(c2ccc(OCC(=O)O)cc2)NCCc2cc(-c3ccccc3)ccc21 962667922 MZOFNZUBLMWLEC-XMMPIXPASA-N 373.452 4.226 0 1 FIAF Oc1ccc2c(c1)[C@]1(CCSc3ccc(Br)cc31)NCC2 963329772 SWPBOKYSEDQBIG-KRWDZBQOSA-N 362.292 4.040 0 1 FIAF CCOC(=O)[C@]1(CCCc2ccccc2)CC[C@@]2(c3ccccc3)O[N@@]12 1857536580 AHHYNRUAUCHPHR-VABKMULXSA-N 351.446 4.205 0 1 FIAF CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccccc2)O3)cc1 61930125 PXCIFQNXDBAXOO-HSZRJFAPSA-N 373.456 4.147 0 3 FIAF COc1c(OC)c2c3c(nccc3c1OC)C(C)(C)c1cc(O)ccc1-2 5138534 TVGFUKDDLALLQR-UHFFFAOYSA-N 351.402 4.273 0 1 FIAF biogenic O=C(N/C(=C\c1ccccc1)c1nc2ccccc2c(=O)o1)c1ccccc1 5835321 JIXGQNSCELFPAM-HKWRFOASSA-N 368.392 4.116 0 1 FIAF CC/C=C\CO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O 13642019 FHQCBTSYENFAFR-VGOKWCNXSA-N 364.854 4.239 0 1 FIAF O=C(NCc1c[nH]c2ccccc12)N1[C@H]2CC[C@H](C2)[C@@H]1Cc1ccccc1 27107585 UENKSTZFYXQHBC-LZNRXBQRSA-N 359.473 4.473 0 1 FIAF COc1ccc(Cc2cc(OC)c(OC)cc2Br)cc1OC 36417184 DGZIXGIHSNMSRZ-UHFFFAOYSA-N 367.239 4.074 0 1 FIAF Nc1ccc2cc(NCCc3ccccc3)cc(Nc3ncccn3)c2n1 43015280 RWOSYWBJWNWJKX-UHFFFAOYSA-N 356.433 4.005 0 1 FIAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1-c1ccc(C(=O)O)cc1 72105084 HOSOJXYMCLYNNI-CXAGYDPISA-N 366.413 4.152 0 1 FIAF CSc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 95594578 LBMILISNRUJASD-UHFFFAOYSA-N 367.514 4.284 0 1 FIAF Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4n[nH]c(=S)n4C=N[C@@H]32)cc1 98084927 PISARBHCSOYSAU-ZWKOTPCHSA-N 359.458 4.110 0 1 FIAF COc1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620801 UIWIDYSPPPGYID-UNMCSNQZSA-N 360.457 4.288 0 1 FIAF Nc1nc(NC(=O)c2ccc3ccccc3c2)c2c(ccc3[nH]ccc32)n1 103297887 ARHRKHRGHVNIFI-UHFFFAOYSA-N 353.385 4.099 0 1 FIAF CCS(=O)(=O)N(Cc1ccnc(F)c1)c1sc2ccccc2c1C 115234800 JECWEVMAZLHKDQ-UHFFFAOYSA-N 364.467 4.100 0 1 FIAF CC(C)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 142698777 RSYYOIOLHPGIQZ-UHFFFAOYSA-N 371.824 4.107 0 1 FIAF CSc1nn(-c2ccccc2)c2cc(C(=O)C[C@@H]3CCCNC3)ccc12 169706050 XCGQEOZCCSSSEE-HNNXBMFYSA-N 365.502 4.320 0 1 FIAF Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)CC2CC2)cn1 207684705 HNVTXPSBGUAYNT-CYBMUJFWSA-N 364.276 4.406 0 1 FIAF Oc1c(-c2ccccc2)cccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 586896477 MPNMKJRWRFJTBE-UHFFFAOYSA-N 356.307 4.363 0 1 FIAF Cc1c(-c2nc3c(Br)cc(F)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905488 QRDUDXHGZIQTQP-NSHDSACASA-N 365.202 4.403 0 1 FIAF CCOc1cc(/C=C\c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OC(F)F 587129216 DEFSGBWRBOSKLJ-YWEYNIOJSA-N 374.343 4.432 0 1 FIAF CC[C@@H](Oc1ccccc1F)c1nc2ccnc(Br)c2[nH]1 587155865 NOGDKBSXKMAFIA-LLVKDONJSA-N 350.191 4.390 0 1 FIAF CC[C@H](C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccccc1 587273537 LJRBNUKECCGQKP-ZDUSSCGKSA-N 374.234 4.459 0 1 FIAF Cc1oncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346313 LVVPLHJSJQTWIG-ICSRJNTNSA-N 353.349 4.102 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(O)cc1)(c1ccc(F)cc1)O2 587383975 ILUVBOYZAXZXNV-JOCHJYFZSA-N 363.388 4.331 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)cc1OCC1CC1)[C@@H](C2)C3=O 587428677 NZGFIHUDYLQCBR-KKSFZXQISA-N 354.377 4.112 0 1 FIAF C[C@]1(c2ccccc2-n2ccnn2)CC(=O)c2ccc3c(c2O1)CCCC3 587517162 IEFVWAVISXZJDI-JOCHJYFZSA-N 359.429 4.027 0 1 FIAF Cc1[nH]nc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 587521232 AYSYPEWEVMVWQU-QFIPXVFZSA-N 350.462 4.430 0 1 FIAF Cc1ncc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551732 JBRIRVCTDBQYMA-PXNSSMCTSA-N 367.788 4.452 0 1 FIAF CC[C@H](C)OC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798264 ZFTLIAVQHURIQZ-DINDLPBHSA-N 372.278 4.069 0 1 FIAF CC(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587816419 XXPFJEBFBMTSNU-MGNBDDOMSA-N 362.242 4.414 0 1 FIAF CCOC(=O)[C@H](CC)Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 653792987 WMQIDHKWWSRBEL-QGZVFWFLSA-N 373.880 4.402 0 1 FIAF COc1ccc2oc(-c3ccc4ccccc4c3)c(CCNC(C)=O)c2n1 653793870 IHSDHSOGOLFEAP-UHFFFAOYSA-N 360.413 4.335 0 1 FIAF COc1ccc2c(c1OC)[C@]1(CC[C@H]1OCc1ccccc1)N(C)[C@@H](C)C2 962626703 MYUUYJHCHJGABW-LERMDLETSA-N 367.489 4.155 0 1 FIAF O=C([C@@H]1Cc2ccccc2[C@]2(C=C[C@@H](C(F)(F)F)CC2)N1)C(F)(F)F 962776003 ZTBJLSFGQRGSKT-OSAQELSMSA-N 363.301 4.056 0 1 FIAF COc1ccc2c(=O)c(C)c(-c3ccc(N4CCC(F)CC4)cc3)[nH]c2c1 1772623605 JMFMSVMSJQKGAT-UHFFFAOYSA-N 366.436 4.450 0 1 FIAF CSC1=N/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1 1857635087 WQJGSVBTMYODME-YBEGLDIGSA-N 358.850 4.109 0 1 FIAF CCC=CC[C@@H]1C=C[C@@H]2[C@@H](OC(C)=O)CC(=O)[C@H]2CC=CCCCC(=O)O1 2356687915 FMPPDLWWZZRSMA-JKBKZWBZSA-N 374.477 4.078 0 1 FIAF O=c1cc(CO)oc([C@@H](Nc2ccccc2)c2ccc3ccccc3c2)c1O 2382216697 PPOGXDZLBVKRJB-NRFANRHFSA-N 373.408 4.192 0 1 FIAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1N 4080507 NIHWNFLXMMPYTE-PMACEKPBSA-N 369.465 4.192 0 1 FIAF COc1ccc(CCCc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1 13490525 BYCZLBOLNTZMNV-UHFFFAOYSA-N 374.436 4.417 0 1 FIAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(Cl)cc2)cc1 13525158 FLERQJRELKLDIQ-UHFFFAOYSA-N 367.257 4.250 0 1 FIAF CCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 14968411 CWFIGPZKUGSTDW-UHFFFAOYSA-N 352.278 4.326 0 1 FIAF CCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1ccccc1OC 27525175 NBAQLBFCCBZCFK-UHFFFAOYSA-N 369.461 4.184 0 1 FIAF CCCC[C@](C)(O)C1=CC[C@@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@@H]3C1 27716200 LJTJQLDGHOLLEZ-NEWJYFPISA-N 369.549 4.471 0 1 FIAF O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2cccs2)c1 28377472 XNRNDZGXNRPGOC-FQEVSTJZSA-N 362.498 4.419 0 1 FIAF CCC[C@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 40663171 ASRGIKPNODZIHT-UFONIEFXSA-N 367.533 4.456 0 1 FIAF CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1Oc1ccccc1 40879674 DGNYMRHOGUSKCQ-AEFFLSMTSA-N 358.488 4.134 0 1 FIAF CCCCCNc1ncnc2c1nc(CC(C)C)n2CC[C@H]1CCCN1C 82222743 NVDDRACZEPFSBA-QGZVFWFLSA-N 372.561 4.111 0 1 FIAF CCOc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114337575 SXUKHUQRLXBBJH-IBGZPJMESA-N 350.466 4.038 0 1 FIAF CC(=O)O[C@@H]1CC2=C(C)C(=O)O[C@@H]2/C=C(\C)CC[C@@H]2O[C@]2(C)CC/C=C/1C 137541105 WLRWBOFVTBFHGP-QRIWGGGMSA-N 374.477 4.174 0 1 FIAF CC(C)N1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)[C@@H]2CCCC[C@H]21 143731119 NDPDRNAYXPWNKG-NHCUHLMSSA-N 359.473 4.443 0 1 FIAF CCOC(=O)c1c(CSc2ccc(OC)cc2)n(C)c2ccc(O)cc12 169345891 YZAYXGOGUNAVBL-UHFFFAOYSA-N 371.458 4.362 0 1 FIAF CS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 586926422 PRCFGNKGNSLGGK-UHFFFAOYSA-N 374.771 4.306 0 1 FIAF Cc1cncc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)c1 586987761 FLAWTSOHXNNSKX-UHFFFAOYSA-N 352.393 4.446 0 1 FIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccc(Br)c2[nH]1 587071101 VYTUCXJDYJOMAT-LLVKDONJSA-N 364.674 4.264 0 1 FIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(C)cc4[nH]3)c2)c1 587236122 SOHOCUXIJKVYSJ-UHFFFAOYSA-N 355.441 4.489 0 1 FIAF NC1CCC(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 587256136 BKUUFVPFPQLUQS-UHFFFAOYSA-N 362.193 4.329 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCOC)(Cc1cccc(F)c1)CC2=O 587466050 IMYGUYGBYTVKMS-JOCHJYFZSA-N 372.436 4.467 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc3c(c1)OCO3)CC2=O 587494638 ZJAMMCXRXNIVRK-QFIPXVFZSA-N 368.429 4.430 0 1 FIAF C[C@](O)(C[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587529888 RIXTWSRUHAGHOF-ZEWAVQJRSA-N 354.490 4.477 0 1 FIAF O=C(O)c1ccc2c(c1)OC=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587532910 QUUSQVQJWURISL-JOCHJYFZSA-N 362.381 4.030 0 1 FIAF CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587581487 LLECJLGELYYKQP-NQIIRXRSSA-N 364.401 4.010 0 1 FIAF O=C(c1c(-c2ccc3c(c2)OCCO3)[nH]c2cccc(F)c12)C(F)(F)F 587633375 BUAUVRUORPOPEH-UHFFFAOYSA-N 365.282 4.490 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2F)N1 587725135 BMTAEOAUWMNHBY-VVVCHXIZSA-N 368.221 4.231 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(CN(C)C)CCCC2)N1 587739956 IVOFZXNXMNBLAZ-YVEFUNNKSA-N 369.322 4.286 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CN2CCCC2)N1 587765940 LGAGIVYUIRWVNY-PXAZEXFGSA-N 369.322 4.286 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COCc2ccccc2)N1 587802034 PFJYULFUGMRUDQ-LRDDRELGSA-N 364.258 4.380 0 1 FIAF CC(C)[C@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587818649 RSFVNZOJKZYUPS-YNKQFZHNSA-N 368.290 4.343 0 1 FIAF COC(=O)C1=CCC[C@H]2[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@H](C)CC[C@@]12C 685935710 PCYSFZDXGZBRMA-XLKVYAKGSA-N 358.434 4.200 0 1 FIAF biogenic,in-vitro CCCc1nc2ccc(C)cn2c1C(=O)NCCOc1ccc(Cl)cc1 1857590158 ALYWJBMLTTYBTN-UHFFFAOYSA-N 371.868 4.057 0 1 FIAF c1cc(-c2ccc3ncn(-c4ccc5c(c4)CNC5)c3c2)c2cc[nH]c2n1 1857644642 QOPABWIBFIAXAU-UHFFFAOYSA-N 351.413 4.172 0 1 FIAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@@H]1OC(C)=O 2356480792 QGJOZBRXAVBQQO-FDMCHOFFSA-N 374.477 4.159 0 1 FIAF CC(=O)O[C@]1(C)C=CC[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)O)[C@H]2[C@@H](O)C1 2356519569 HXNTUGGXVUBGMN-YNEGROOLSA-N 364.526 4.015 0 1 FIAF COc1ccc(Cl)cc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1 103237055 RCUFBQVYNBKVJY-UHFFFAOYSA-N 369.852 4.359 0 1 FIAF Cc1nc(-c2cccc(N3CCC(N[C@@H]4CCSC4)CC3)c2)cs1 23192968 ZRGQCFYWQMQPNW-QGZVFWFLSA-N 359.564 4.182 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@@](C)(O)CC[C@H]21 2356456740 OWZUBMHBAHWVRJ-YFNVTMOMSA-N 366.542 4.242 0 1 FIAF C[C@@]1(Oc2cccc(F)c2)CCN(Cc2ccccc2OC(F)F)C1 61929606 LQICVSFTUKUOFA-LJQANCHMSA-N 351.368 4.471 0 3 FIAF Cc1cc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 72114118 FYXXTOJUMHTXEW-QZTJIDSGSA-N 350.293 4.128 0 1 FIAF CCN(CC)CCNCc1nccc2c3ccccc3n(CC(C)C)c12 72118655 CXTQAMJFZZKPGB-UHFFFAOYSA-N 352.526 4.277 0 1 FIAF O=C(Oc1cncc(Cl)c1)c1cn(-c2ccc(C(F)(F)F)cc2)cn1 40976230 YIFZVKOPVHLODX-UHFFFAOYSA-N 367.714 4.159 0 1 FIAF Cc1nc2c(S(=O)(=O)c3ccccc3)c(N)c3ccccc3c2s1 84713055 OQESBZPHQHHDCR-UHFFFAOYSA-N 354.456 4.173 0 1 FIAF Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1 95921104 DDZKIKXHCIUETL-UHFFFAOYSA-N 365.452 4.023 0 1 FIAF in-vitro C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C=O)cn2C 95581584 UCXHWLWZEXUQKW-UHFFFAOYSA-N 351.402 4.078 0 1 FIAF COc1cc2c(c3c1OCO3)C(c1ccc3c(c1)OCO3)=C(C)[C@H](C)C2 238782892 RJQPRSOOXLYPSN-LLVKDONJSA-N 352.386 4.167 0 1 FIAF Cc1ccc(NC(=O)COc2nsc3nc(C)cc(C)c23)c(Cl)c1 95755290 KYAJNHHWDIYJIJ-UHFFFAOYSA-N 361.854 4.287 0 1 FIAF CO[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]12C 238758821 AKWYEFNEYNPFKW-GEXCINKBSA-N 360.450 4.402 0 1 FIAF O=C(Nc1nccs1)[C@H]1[C@@H]2CCCCC2=C2CCCC[C@H]2[C@H]1C(=O)O 254103561 UAEKMUHPIUFOAJ-LVQVYYBASA-N 360.479 4.089 0 3 FIAF COc1ccc(-c2cc(C3=N[C@H](Cc4ccccc4)CO3)co2)cc1OC 621431177 YXROYCIFRLWCAA-GOSISDBHSA-N 363.413 4.352 0 1 FIAF COc1ccc(C(c2ccc(OC)c(OC)c2)[C@@H](C)[C@@H](C)CO)cc1OC 40865857 QCYCSEDIGPJTTD-GJZGRUSLSA-N 374.477 4.117 0 1 FIAF biogenic O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccnc1C1CCC1 587661098 MIEXRZSJBZMQFL-UHFFFAOYSA-N 372.403 4.249 0 1 FIAF COc1ccc2ccc(OC)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587401361 WTDPDKKJLGOGGA-HXUWFJFHSA-N 363.413 4.454 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nc[nH]c23)N1 587808514 ZLTPJJMXHQJTBD-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF O=S(=O)(/C=C\c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1 586924476 QNZUAZRTDBFASB-HJWRWDBZSA-N 352.337 4.026 0 1 FIAF CCc1cnccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585761 HTEKZHIDQQWFFS-SIKLNZKXSA-N 361.397 4.227 0 1 FIAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc1C 587619277 WTYJBBLZQOZNSG-NQIIRXRSSA-N 350.370 4.479 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1cccs1)[C@@H](C2)C3=O 587453141 UWCLBZLVKDEHRQ-MGPUTAFESA-N 351.427 4.095 0 1 FIAF O=C(O)c1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 587524752 LTSXVRJPCAPAHL-HXUWFJFHSA-N 361.397 4.451 0 1 FIAF COC(=O)c1ccc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c2c1 587932126 NMFHBGWZWLXAAD-UHFFFAOYSA-N 374.396 4.398 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CCC2(C)C)N1 587817855 BILVTRVGIKFCJP-BMLIUANNSA-N 354.263 4.097 0 1 FIAF Fc1cc(Cl)cc2nc(C(F)(Br)Br)[nH]c12 587088050 IGBVCSFUKTUIHM-UHFFFAOYSA-N 360.383 4.225 0 1 FIAF CCCCCC1=CCC[C@@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963230987 RJCNWEPYYGMVHE-RBBKRZOGSA-N 350.462 4.330 0 1 FIAF O=C(O)[C@H]1C[C@H](NCc2ccccc2)c2c(Cl)cc(Cl)cc2N1 13455329 IHFOCHGLNDPRAQ-DZGCQCFKSA-N 351.233 4.093 0 1 FIAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)NCCO 13475533 MRNMGNVOYBTKOE-CGVLYMEPSA-N 363.542 4.211 0 1 FIAF Cn1cc(CN2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 13596964 OCHXJKMRJYHOPE-JOCHJYFZSA-N 359.473 4.182 0 3 FIAF C[C@@H]1C/C=C\CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 169690477 NBRXJADBAFQALQ-TXNVCOODSA-N 366.841 4.319 0 1 FIAF O=C(Nc1ccc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3C2)cc1)Nc1cccnc1 169692390 YTXZREDEJGAXCD-CHWSQXEVSA-N 374.400 4.068 0 1 FIAF CC[C@H](C)Sc1nc(O)c(C)c([C@H](OC)c2c(F)cccc2F)n1 1857601847 HYFILTOLHVUOFD-BJOHPYRUSA-N 354.422 4.395 0 1 FIAF COC(=O)c1c(C)cccc1[C@H]1CN=N[C@@]12Cc1cc(C)c(C)cc1C2=O 5539747 WFCIEHWRWGAYKK-GCJKJVERSA-N 362.429 4.126 0 1 FIAF O=C1C[C@@]2(c3ccccc3)ON=C(c3ccccc3)N2c2ccccc2N1 5582081 FRNHVBUPYHIMAM-QFIPXVFZSA-N 355.397 4.080 0 1 FIAF CC(C)=CCc1c(O)cc2oc(Oc3ccc(O)cc3)cc(=O)c2c1O 14814670 CGFVPOAVSIYUCQ-UHFFFAOYSA-N 354.358 4.211 0 1 FIAF biogenic,in-vitro Cc1nc(S(=O)(=O)c2ccccc2)cc(O)c1Sc1ccccc1 40859889 NZMIXGDAWZAOAQ-UHFFFAOYSA-N 357.456 4.080 0 1 FIAF COc1cc(C(=O)c2csc(-c3cccc(F)c3)n2)cc(OC)c1OC 40891695 INPYSPBHZJIRQC-UHFFFAOYSA-N 373.405 4.206 0 1 FIAF Cc1ccccc1-c1nc(NC[C@H]2CCCO2)ncc1-c1nc(C)c(C)o1 82177373 WKQCSISFMWMDIU-MRXNPFEDSA-N 364.449 4.315 0 1 FIAF CC(=O)N1CCC[C@]1(Cc1ccc(F)cc1)C(=O)CCc1ccc(F)cc1 84653462 DTIUJXVRHQAXOC-QFIPXVFZSA-N 371.427 4.090 0 1 FIAF c1ccc(C2(c3ccccn3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)nc1 100729043 IFITXJMKEBCGCF-ZJSXRUAMSA-N 362.456 4.189 0 1 FIAF Cc1c(Br)ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c12 586906546 NRHXAUWXARSTRN-ZSOIEALJSA-N 355.191 4.302 0 1 FIAF Fc1cc2[nH]c(-c3nc(Cl)cnc3Br)nc2cc1Cl 587005218 CSROPUQPTJXWFX-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF CN(C)CCOc1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023593 MVLYWNFHTQZINN-UHFFFAOYSA-N 364.474 4.294 0 1 FIAF COc1cc(OC)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c1 587068179 KITFFARYRFUUDV-UHFFFAOYSA-N 354.797 4.291 0 1 FIAF Cc1ccc2c(ccc3nc([C@@H](CN)Cc4ccc(Cl)cc4)[nH]c32)n1 587071246 XZHXDKJSXAIYPN-CQSZACIVSA-N 350.853 4.358 0 1 FIAF Cc1ccc2c(ccc3nc(C(F)(Br)Br)[nH]c32)n1 587087817 VQDICIKRVDANDI-UHFFFAOYSA-N 373.023 4.289 0 1 FIAF N[C@@H](N=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587092550 VTJWAZCOTOALRJ-ZDUSSCGKSA-N 367.356 4.003 0 1 FIAF Clc1cc(I)cc(-c2nc3ccccc3[nH]2)c1 587182255 GMAYXEUVVQCWSU-UHFFFAOYSA-N 354.578 4.488 0 1 FIAF COc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1OC 587197271 CDQLZCWYSXMPCL-MRXNPFEDSA-N 363.458 4.144 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCCCC[C@H]2O)[C@@H]1c1ccc(F)cc1 587349848 GCUTZIXLLBZMBX-SJBKTWHCSA-N 370.420 4.344 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4cc(Cl)ccc14)[C@@H](C2)C3=O 587422947 ROOPJCQHXGBKQQ-XOBRGWDASA-N 353.805 4.493 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1cccc(OC(C)C)c1)(C(F)F)[C@@H](C2)C3=O 587423161 RSIRHTZPXSTFCG-HRAATJIYSA-N 374.383 4.390 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Cn1cccn1)CC2=O 587475393 LLJOFITUXXQSTC-NRFANRHFSA-N 362.429 4.296 0 1 FIAF O=C1CC2(CCN(c3nccs3)CC2)Oc2c1ccc1c2CCCC1 587534182 BJAZXTYIMGREEQ-UHFFFAOYSA-N 354.475 4.026 0 1 FIAF COc1cc(C)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596935 XKZMOJJLRZBWCK-KNQAVFIVSA-N 362.381 4.412 0 1 FIAF COc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599007 DDCYWIWULPNRKE-SIKLNZKXSA-N 362.381 4.278 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2F)N1 587723334 WZNJVBDUYHJPOA-VPTHRUTESA-N 356.185 4.490 0 1 FIAF Cc1cc(F)ncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587738437 OKWBKCAPZMFDOG-ABKXIKBNSA-N 353.210 4.054 0 1 FIAF CCCCn1ccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587755319 OTMOGHVJWXTGGE-BDJLRTHQSA-N 366.278 4.208 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccccc2)N1 587797808 XGRWHHZEPUZPDF-KPZWWZAWSA-N 364.258 4.417 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 587826075 GHLMVQVUCIZPMY-RDTWTUCRSA-N 366.274 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Cl)s2)N1 587851839 CUSKCERHXXKWSX-SREIQFSDSA-N 361.667 4.322 0 1 FIAF Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sc1C 587855531 WMFUTKYJJUCZNH-UOWDBTKRSA-N 355.276 4.285 0 1 FIAF Cc1c(C)c(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O 587944028 WSUDXLVQVPXJOW-UHFFFAOYSA-N 373.355 4.141 0 1 FIAF O=C(N=c1cc[nH]cc1)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F 653688013 PXFKZTVTPPCRCO-UHFFFAOYSA-N 374.322 4.108 0 1 FIAF Cc1ccc(N2C(=O)C(O)=C(C(=O)OC(C)C)[C@H]2C2CCCCC2)cc1 1857588679 RCMGMFMDNDLSMJ-GOSISDBHSA-N 357.450 4.054 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2CC=C(C)C3=CC[C@H]4[C@H](OC(C)=O)C[C@H]1[C@@H]2[C@@H]34 2356474614 YNTWKKJWHMCMFN-UDVOIRGBSA-N 358.478 4.054 0 1 FIAF C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@@]5(O)C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356484862 KFVZDOJVWHIDNK-DBJHGOFFSA-N 374.613 4.004 0 1 FIAF COc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)CCCCCCCC(=O)C2 2356852208 QOALZZHOUUWFGS-GFCCVEGCSA-N 368.857 4.455 0 1 FIAF Cc1cc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)ccc1Cl 2382248269 PSRUIYLPJVDUAD-UHFFFAOYSA-N 371.293 4.112 0 1 FIAF CNC(=O)c1cc2c(Oc3ccc(C(F)(F)F)cc3)cncc2s1 602734 PEOGZQMDIONZGY-UHFFFAOYSA-N 352.337 4.467 0 1 FIAF NC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 695923 JJUMZLXRSYTOKT-JKSUJKDBSA-N 362.454 4.256 0 1 FIAF Cc1cc(C)n(-c2nc(O)c3c(-c4ccccc4)c4c(nc3n2)CCCC4)n1 29057534 OGKDENQGPCOMGV-UHFFFAOYSA-N 371.444 4.079 0 1 FIAF CCOc1ccc(Cl)cc1-c1cc(C(=O)NCC2CCCCC2)[nH]n1 61930334 HHNCPOKQVZHTPU-UHFFFAOYSA-N 361.873 4.439 0 3 FIAF COc1ccccc1C1CC2(CCN(C(=O)Nc3onc(C)c3C)CC2)C1 73164184 IVEFKUIOSAEWMZ-UHFFFAOYSA-N 369.465 4.492 0 1 FIAF O=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccccn2)cc1 49089841 MMXFWZCBTFHARB-UHFFFAOYSA-N 352.482 4.136 0 1 FIAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1 82132307 AMCBNTWQRJYNIQ-DNVCBOLYSA-N 364.493 4.274 0 1 FIAF CCN(CC)Cc1ccc(C[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40898887 PZRWNXAFVGCYDT-IBGZPJMESA-N 367.489 4.143 0 1 FIAF Cn1c2c(c(=O)n1-c1ccccc1C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C 142431365 OUANOAMFFAKLPS-XIKOKIGWSA-N 350.384 4.370 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccccc3OC)cc2)C[C@H]2CC[C@H]1N2C 253695626 CCWOTPZOCKHRAQ-JWUVWSEFSA-N 365.473 4.102 0 1 FIAF O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2ccccc21 2382222154 ZGQPIMWXKNEXQL-UHFFFAOYSA-N 358.397 4.477 0 1 FIAF O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3)c2C1 2382254212 UBNBHORAQUSBRR-UHFFFAOYSA-N 358.854 4.382 0 1 FIAF COC(=O)[C@]1(C)CCCC2=C1CC[C@H](C)[C@]21C[C@H](c2ccoc2)OC1=O 85692417 CRSACJNXOSEYLN-NUATZEMDSA-N 358.434 4.344 0 1 FIAF biogenic CON1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@H]1c1cccc(O)c1 653869282 WFVCDMQYDODBGI-MDNUFGMLSA-N 372.424 4.465 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)sc2C=O)N1 587738471 OPYOJAYZOHUBCM-NZFNHWASSA-N 372.234 4.225 0 1 FIAF Clc1ccc(-n2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)nn2)cc1 587074958 CCOAJZNWUSIHEG-UHFFFAOYSA-N 365.611 4.166 0 1 FIAF CC[C@@H]1C[C@H]([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCO1 587833083 LWPYUHWNMVWEKI-YAMOITTJSA-N 356.279 4.369 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ncccn1)CC2=O 587488057 GXFUMAQROVBNKZ-JOCHJYFZSA-N 360.413 4.044 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CC[C@@H](c4ccccc4)C[C@@H]1OC)[C@@H](C2)C3=O 587441479 GZMCBQWZJKZHJV-JXLZZSSXSA-N 364.441 4.164 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(Cl)ccnc2[nH]1 587201044 FGJCASXTTMLSPQ-UHFFFAOYSA-N 352.866 4.192 0 1 FIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 587052098 YSWKWQOHFVAVJH-INIZCTEOSA-N 371.828 4.202 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OC)C[C@H](C)O3)CC2=O 587491200 NTIQUNPEPFQXGK-LAJNKCICSA-N 368.429 4.383 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(O)c1Cl)[C@@H](C2)C3=O 587421271 KJBZTHACRGMUTE-DYZYQPBXSA-N 351.185 4.196 0 1 FIAF C=Cc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790192 IAYFSTSTTHQHCH-VVVCHXIZSA-N 364.262 4.060 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cl)c2N)N1 587691272 DRAXSGONZPZKRD-VPTHRUTESA-N 369.665 4.447 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C(C)(C)C)c2)N1 587760046 NURAOWSFOWVOPI-MGPLVRAMSA-N 366.278 4.163 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(Cl)ccnc2[nH]1 587168162 UANZHBSHCWXFQI-ZDUSSCGKSA-N 359.792 4.119 0 1 FIAF CC[C@H](C)n1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587755591 BACVFKJZDKORNR-PSVSLLHZSA-N 366.278 4.379 0 1 FIAF CCN(C(C)=O)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587536313 UJGIYJIQQZXADX-GOSISDBHSA-N 370.474 4.101 0 1 FIAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)c(F)cc3[nH]1)O2 587173676 GIPOXCQZPPOFLI-AWEZNQCLSA-N 351.150 4.280 0 1 FIAF C[C@@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587525978 XCAJBTAOQYQDKV-ZUOKHONESA-N 366.413 4.124 0 1 FIAF CCOC(=O)Cc1ccc2nc(-c3cc(OCC)ccc3OCC)[nH]c2c1 587778049 IERXFKAUWAHFBX-UHFFFAOYSA-N 368.433 4.133 0 1 FIAF COc1cc(C2(c3nc4cc5c(cc4[nH]3)OCCCO5)CC2)ccc1C 587927140 OCFATTSPUZAOQT-UHFFFAOYSA-N 350.418 4.121 0 1 FIAF Cc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1Br 587566501 PXEGUBKTVPRVSS-UHFFFAOYSA-N 359.223 4.068 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(CN4CCCCC4)s1)[C@@H](C2)C3=O 587453477 WRUSMVJYNSHSQS-HRAATJIYSA-N 369.486 4.231 0 1 FIAF Cc1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2n1 587190808 ONLUWUXZKKBXDZ-MRXNPFEDSA-N 352.438 4.223 0 1 FIAF COC(=O)c1cc(F)cc([C@H]2c3ccsc3CCN2Cc2ccco2)c1 962705259 KVSGUOIRBGZFTG-IBGZPJMESA-N 371.433 4.415 0 1 FIAF COC(=O)c1ccc(C)cc1[C@H]1CN=N[C@@]12Cc1cc(C)c(C)cc1C2=O 5539630 LPLOCPUBJLVZSY-KNQAVFIVSA-N 362.429 4.126 0 1 FIAF O=C1CCCC2=NC(Nc3nc4ccccc4o3)=NC3(CCCCC3)[C@@H]12 169687742 YYGMBSSIMDCWLX-QGZVFWFLSA-N 350.422 4.122 0 1 FIAF C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3ccncc3)nc21 1857533712 OEIVNXXNIJCKPD-ZDUSSCGKSA-N 370.391 4.185 0 1 FIAF COc1ccc(-c2cnc3[nH]cc(NC(=O)c4ccccc4)c3c2)cc1OC 1857545825 UMRKNOFXTQQCQP-UHFFFAOYSA-N 373.412 4.499 0 1 FIAF O=C(COc1ccccc1Cl)Nc1cc(Cl)c(Cl)cc1C(=O)O 1857570437 FWPJLHJZWJQEJX-UHFFFAOYSA-N 374.607 4.363 0 1 FIAF CC(C)(C)n1ncc2c(=O)n(Cc3cccc(-c4ccccc4)c3)cnc21 13831310 NLUPRGUVZODVOL-UHFFFAOYSA-N 358.445 4.063 0 1 FIAF NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 28825889 OARLPCQODXNUGS-UHFFFAOYSA-N 363.505 4.258 0 1 FIAF CCCC(=O)Oc1c(OC)c(OC)c(OC(=O)CCC)c2ccccc12 29252063 PIVNALNGZKFYGB-UHFFFAOYSA-N 360.406 4.268 0 1 FIAF Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(CC(C)C)cn2)n1 35950406 DNEWRWUHAVFNJE-UHFFFAOYSA-N 365.433 4.323 0 1 FIAF Cc1cc(Cl)nc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)n1 40979345 BGSQXXUIUODYKD-CYPWDGBBSA-N 363.914 4.061 0 1 FIAF COC12CC3C[C@@H](C1)C(NCCNC/C=C(\C)CCC=C(C)C)[C@H](C3)C2 45245814 DKSVVLHOQIFIEX-KGYDGLQISA-N 360.586 4.452 0 1 FIAF COc1ccc2c(c1)c(-c1ccc(OC(C)C)cc1)nc(=O)n2C(C)C 45335764 YWBFSXVCNYSYAV-UHFFFAOYSA-N 352.434 4.440 0 1 FIAF c1ccc(CC2CCN(CCNc3nc(-c4ccccc4)no3)CC2)cc1 71928058 CISFCYSKAXLVCU-UHFFFAOYSA-N 362.477 4.103 0 1 FIAF CCNCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165015728 QELNVKPPJUAARQ-UHFFFAOYSA-N 350.443 4.225 0 1 FIAF C[C@@H]1OC(=O)[C@]23CC[C@@H]4[C@@H](CC=C5C[C@@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@H]13 255192428 AENSHGKORGDOBI-STYRCKLGSA-N 357.538 4.421 0 1 FIAF Clc1cccc(CNC2CCN(Cc3cnc(Cl)s3)CC2)c1 299864463 RHNYLAFQRYICSD-UHFFFAOYSA-N 356.322 4.204 0 1 FIAF O=C(NCc1nc2ccc3c(c2[nH]1)CCCC3)c1cccc(C(F)(F)F)c1 587113108 YIZFYSYVSKNJNR-UHFFFAOYSA-N 373.378 4.391 0 1 FIAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnc(Cl)[nH]c-3n2)cc1F 587148937 FAYFDDVTJSFPQA-HNNXBMFYSA-N 372.762 4.405 0 1 FIAF Fc1ncc(Br)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587178227 WCMLJCAQVYCOAB-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF Cc1cc(Cl)cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587194136 MGZAZCXEQWXKDM-CYBMUJFWSA-N 366.893 4.042 0 1 FIAF C[C@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344500 GWFGQKNJMGUCCJ-IFMALSPDSA-N 363.388 4.287 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)c1F)O2 587386629 VPCHOQCACSTDHH-CQSZACIVSA-N 350.187 4.185 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccncc1)O2 587393942 BXKNPVGFFJRVTE-OAQYLSRUSA-N 360.413 4.258 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCCCF)cc1)[C@@H](C2)C3=O 587424988 ZPRLZRKCDGYPBA-UWJYYQICSA-N 356.393 4.096 0 1 FIAF O=C1C[C@@](C(=O)O)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587499363 INTNHZFKPAOAHE-FQEVSTJZSA-N 356.805 4.164 0 1 FIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(Cl)ccc12 587505218 ZBJOEMYPRQNBHU-HXUWFJFHSA-N 353.805 4.032 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCNc1ccccc12 587595853 PBVAVRXYNGRQNT-SIKLNZKXSA-N 359.381 4.065 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCN(C)C)N1 587738543 BBQLGRAWLNPKPF-PXAZEXFGSA-N 357.311 4.070 0 1 FIAF Cc1ccc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587775108 ZBQXGMPFFWQJFR-XIKOKIGWSA-N 363.274 4.500 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3c(Br)ccnc3[nH]1)CC2 587934309 JBMDBDHACWEOQY-LLVKDONJSA-N 358.239 4.002 0 1 FIAF Cn1cccc1CN1CCc2sccc2[C@@]1(C)CC(=O)c1cccnc1 962370629 GDDIVDYVKGSHCV-OAQYLSRUSA-N 365.502 4.028 0 1 FIAF CCC[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963604013 DGRAUMCOSGHBCZ-NYHFZMIOSA-N 355.478 4.290 0 1 FIAF COc1ccc(-c2ccc(C)cc2NCCCn2ccnc2)cc1OC 1772622671 QKCGQBCBAGINMC-UHFFFAOYSA-N 351.450 4.378 0 1 FIAF CN(Cc1nc2ccccc2o1)c1nc(-c2cccnc2)nc2ccccc12 1857608291 MDEHKLPLPNRLJY-UHFFFAOYSA-N 367.412 4.469 0 1 FIAF COC(C=CC(=O)O)=CC(C)=C[C@@H]1CCC[C@H]2Oc3ccc(O)cc3[C@@H]12 2356340923 BIFOIGIRZDSYFB-UQIDSAAFSA-N 356.418 4.154 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)C[C@@]3(c4ccoc4)OC[C@@]14C(C)=CCC[C@@]24O3 2356458001 FZQSAOXOUTXHTL-AIVRJMOMSA-N 372.461 4.326 0 1 FIAF CC(C)(C)NC(=O)c1oc2ccccc2c1NC(=O)c1c(F)cccc1F 7001727 FZRRSQLNEYWTMJ-UHFFFAOYSA-N 372.371 4.492 0 1 FIAF C[S@](=O)c1ccc([C@H](Nc2nccs2)C(=O)c2ccc(F)cc2)cc1 12352389 QGDUYZMBLKACFR-IVCQMTBJSA-N 374.462 4.056 0 1 FIAF COc1ccc2[nH]cc(CCCCN3CCN(c4ccccc4)CC3)c2c1 13582376 BKPFUMLELZUBFG-UHFFFAOYSA-N 363.505 4.321 0 1 FIAF O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2cnccc12 26824918 JSTADUOTLJDMEX-UHFFFAOYSA-N 361.323 4.455 0 1 FIAF C[C@H](CCO)[C@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 28520291 UVFIJTYAZWJSFV-PIGZYNQJSA-N 374.836 4.152 0 1 FIAF O=C(Nc1c(Cl)cccc1Cl)c1nc2ccccc2n2cncc12 29134682 ZFJHQSXBIVDDAY-UHFFFAOYSA-N 357.200 4.442 0 1 FIAF COc1ccccc1N1CCN(Cc2ccc(-c3ccc(F)cc3)[nH]2)CC1 29566169 VHRUYTMJYBYBCS-UHFFFAOYSA-N 365.452 4.152 0 1 FIAF CC(=O)N(Cc1ccccc1-c1cccc(Cl)c1)CC1CCNCC1 49111282 YEWCYYKVALDDRI-UHFFFAOYSA-N 356.897 4.355 0 1 FIAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2ccccc2)C1 82133196 GTEPMUUQSVWVEG-HOTGVXAUSA-N 364.493 4.084 0 1 FIAF O=c1c(-c2ccccc2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12 84669172 GPIBZONCMPLCMY-UHFFFAOYSA-N 372.815 4.354 0 1 FIAF O=C(O)c1cc(Cc2ccc(-c3ccccc3)cc2)c2ccccn2c1=O 84705769 NUXVNVZWZKPGFI-UHFFFAOYSA-N 355.393 4.256 0 1 FIAF CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@]45CC[C@H]32)C1 85908608 YSQXNYTXRLVCMC-KYDROTKASA-N 372.597 4.464 0 1 FIAF Cc1ccc(NC(=O)c2ccccc2Cn2ccc3ncnc-3c2)c(F)c1 100062274 KQGGYFMDSOEHOC-UHFFFAOYSA-N 360.392 4.131 0 1 FIAF Cc1ccoc1CN(C(=O)OC1C[C@H]2CC[C@H](C1)N2C)c1ccccc1 101151883 BGECMWFZHVFBGB-QZTJIDSGSA-N 354.450 4.356 0 1 FIAF CC(=O)OC[C@]12CC[C@@H]3[C@H](CCC4=C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(C)=O 253633088 DJJZPTWGFYVUFB-WDVPHTIESA-N 374.521 4.059 0 1 FIAF CCCCCC[S@](=O)C[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 253683060 DXUUKSQGPDLBMH-OVSYPXLGSA-N 370.555 4.310 0 1 FIAF OCC12CCC(c3nc4cc(Br)c(F)cc4[nH]3)(CC1)CC2 586895763 XJARBDAOJNDKAP-UHFFFAOYSA-N 353.235 4.049 0 1 FIAF CCc1ccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1Br 586977236 JKBQZPAAEACHKW-UHFFFAOYSA-N 363.186 4.392 0 1 FIAF COc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1C 587005347 UTXODQJZWYQFAC-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF Cc1cc(Br)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587123977 LZIMOEARZKCERE-UHFFFAOYSA-N 368.181 4.340 0 1 FIAF Cc1c(Br)cnc2[nH]c(-c3cc(N)cc4ccccc34)nc12 587251758 MLMKECGCUSFHQV-UHFFFAOYSA-N 353.223 4.431 0 1 FIAF N=c1cc(-c2nc3ccc(F)c(Br)c3[nH]2)c2ccccc2[nH]1 587254346 RPEOTPSIXNQGFX-UHFFFAOYSA-N 357.186 4.092 0 1 FIAF CC(C)Oc1cc2nc(C3CCC(N)CC3)[nH]c2cc1Br 587256706 OLNPEYVCNJQGKH-UHFFFAOYSA-N 352.276 4.098 0 1 FIAF O=C(CCCc1ccccc1)c1c(CO)oc2cc(Br)cnc12 587273837 PBKIKUOTPQTVHO-UHFFFAOYSA-N 374.234 4.288 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2C(=O)c2ccccc21 587402983 BQLRSFSVPSVQDL-UHFFFAOYSA-N 355.393 4.031 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2n[nH]c(C)c21 587488132 YMMILYIFFZCWRM-NRFANRHFSA-N 354.450 4.209 0 1 FIAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(O)c1OC 587521925 DHYGWBMNPBMLIT-QFIPXVFZSA-N 368.429 4.169 0 1 FIAF C[S@](=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531574 HOXCDWFLPBPXQO-OFVILXPXSA-N 354.471 4.183 0 1 FIAF CSc1ncc2c(n1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587531706 IUSMTTYDGGTCNS-OAQYLSRUSA-N 366.486 4.274 0 1 FIAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCOCC1 587628302 RVKWSWRGBMQLHC-UHFFFAOYSA-N 352.278 4.351 0 1 FIAF Cc1c(Cl)cccc1NC(=S)n1ncc2ccc(Cl)cc2c1=O 587655200 VZSDGKMHQYXHFW-UHFFFAOYSA-N 364.257 4.257 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)c(F)c2)N1 587726820 LCLAIXSYQJAKIJ-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF CCCCn1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587760272 OTKDIZIHSGXIBH-GTNSWQLSSA-N 366.278 4.208 0 1 FIAF COC(=O)c1cccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587781915 FSLYDOMCOLPJOO-UHFFFAOYSA-N 374.396 4.301 0 1 FIAF C=Cc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790182 IAYFSTSTTHQHCH-HUTHGQBESA-N 364.262 4.060 0 1 FIAF COCc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587803850 YAXMJMLAMRYFHT-ZMZPIMSZSA-N 364.258 4.358 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccccc1F 587870674 GKCNJGUBWVPUAQ-UHFFFAOYSA-N 359.401 4.472 0 1 FIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587934760 FZSYEGYRQRMAGB-CLAHSXSESA-N 352.221 4.110 0 1 FIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2C1(CN2CCOCC2)CCCCC1 963115952 WMGXOUSZCYTZLQ-IFMALSPDSA-N 372.528 4.170 0 1 FIAF C[C@H]1C[C@@]2(NCCc3c(C(=O)O)cccc32)c2cccc(Br)c21 963125300 SRXAKRGLSLRTIG-WLRWDXFRSA-N 372.262 4.044 0 1 FIAF O=C1[C@@H]2C=CC=C[C@@H]2[C@@H](c2cc(F)cc(F)c2)N1c1ccc2nc[nH]c2c1 1772611411 VNSIXYYNRQNFCG-SQGPQFPESA-N 363.367 4.287 0 1 FIAF CC=C1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OCCC)cc12 1857618643 MBSLLGBCQDKSEZ-WQTXXOFMSA-N 352.478 4.098 0 1 FIAF CCN(CC)Cc1ccc([C@@H]2CC(=O)c3cc(OC)c(OC)cc3O2)cc1 1857657050 PPGIQYYFMPZHTM-IBGZPJMESA-N 369.461 4.252 0 1 FIAF CCCCCC=CC[C@H](O)C=CC=CC=C[C@H](O)CCCC(=O)N(C)C 2356311280 BBJRTSLPWQUASB-SFTDATJTSA-N 363.542 4.162 0 1 FIAF CC1=C[C@H](CNCC2CC2)[C@@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356475865 SODGIEVEGGVQON-IPMKNSEASA-N 352.526 4.355 0 1 FIAF CC(=CCCC1=CC(=O)O[C@H]1O)CCC=C(C)CCC[C@H](C)C(=O)O 2356787862 BRWKDBAXWVCQIQ-OXJNMPFZSA-N 350.455 4.132 0 1 FIAF CC(C)Cc1ccc(-c2cc3nc(NCCCn4ccnc4)ccn3n2)cc1 61897972 WJDNENZQQKOAOM-UHFFFAOYSA-N 374.492 4.294 0 3 FIAF CC[C@H](CO)Oc1cc(NCc2ccc(O)cc2)c2ncn(C(C)C)c2c1 61949001 HHCBRXDDNCZYKD-QGZVFWFLSA-N 369.465 4.085 0 3 FIAF Cc1c(C(=O)O)cnn1-c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1491447 UHQZUIDXAKYWPD-UHFFFAOYSA-N 354.218 4.309 0 1 FIAF CCCO[C@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 103216675 LKDNZMZCRDBYPJ-SFHVURJKSA-N 350.447 4.056 0 1 FIAF CC[C@@H](C)c1c(OCc2ccc(C(=O)O)cc2OC)ccc(C(C)=O)c1O 27903989 BVAJHEKPXVMYPW-GFCCVEGCSA-N 372.417 4.394 0 1 FIAF CN1CC[C@H]2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C[C@H]1C2 101845181 FBHBHAUZAZRRFS-QIJUGHKUSA-N 363.501 4.409 0 1 FIAF Cc1cc2c3ccccc3nc(CCc3nc(-c4ccccc4)cn3C)n2n1 66260079 JTZGSTGVCPECEB-UHFFFAOYSA-N 367.456 4.377 0 1 FIAF Cc1c(C(=O)N2CCCCC[C@]2(C)C(=O)NCC(C)C)oc2ccccc12 61906506 ORTNXURJLKTBND-JOCHJYFZSA-N 370.493 4.288 0 3 FIAF Cc1nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)nc(C)c1C 28647377 WCSJRAMSWWBTEB-OAHLLOKOSA-N 368.289 4.487 0 1 FIAF CC[C@@H](O)COc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 66103430 LWIHHDQTVXWNDB-QGZVFWFLSA-N 353.466 4.379 0 1 FIAF Cc1cc(C)c(CC[C@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)c(C)c2)c1 29475100 QTBNPOREZABRPH-MSOLQXFVSA-N 356.437 4.417 0 1 FIAF O=C(O)CC1=C(c2ccccc2)N=C(S)N[C@@H]1c1ccc(Cl)cc1 29417477 HJIWJEKQUHCSLU-QGZVFWFLSA-N 358.850 4.156 0 1 FIAF Oc1ccc(-c2nc(CN(Cc3cccnc3)Cc3cccnc3)co2)cc1 72183394 MPFLTMOKVJJUHI-UHFFFAOYSA-N 372.428 4.040 0 1 FIAF c1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 71318451 GLHVTNXLNWGCPW-UHFFFAOYSA-N 373.504 4.165 0 1 FIAF COc1ccc(CC(=O)c2c(O)cc3c(c2OC)C=CC(C)(C)O3)cc1 14488296 DPYIKBWBQQSHJM-UHFFFAOYSA-N 354.402 4.019 0 1 FIAF biogenic COc1ccc(-c2cc(-c3ccccc3)no2)c(OCCCN(C)C)c1 71295012 JSYNQPNGQMJPBB-UHFFFAOYSA-N 352.434 4.348 0 1 FIAF COc1ccc(-c2cocc2-c2cc(OC)c(OC)c(OC)c2)cc1N 36477144 DLHPLURTTQBGNP-UHFFFAOYSA-N 355.390 4.230 0 1 FIAF CC(=O)c1ccccc1-c1cc(C(=O)Nc2nc3c(s2)CCC3)co1 72179611 WDGGFKXWOISSFJ-UHFFFAOYSA-N 352.415 4.347 0 1 FIAF c1ccc(-c2csc3ncnc(N4CCC(CNC5CC5)CC4)c23)cc1 223013595 BNKPGXYEDPWFAT-UHFFFAOYSA-N 364.518 4.327 0 1 FIAF COc1cc(OC)cc(-c2nc(C(=O)NCC3CCCCC3)cs2)c1 82086264 CMQRKDLWSAMBCL-UHFFFAOYSA-N 360.479 4.137 0 1 FIAF CN1CCN(C2=Nc3ccc(Cl)cc3CC=C2c2ccccc2)CC1 40640409 CUUBOIZWQOFHBU-UHFFFAOYSA-N 351.881 4.257 0 1 FIAF Cc1nn(-c2ccccc2)c2cc(N3CCN(c4ccncc4)CC3)ccc12 147353796 MLIWRSYPIRPIPW-UHFFFAOYSA-N 369.472 4.056 0 1 FIAF CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2cc(C)ccc2F)C1 96917475 BKECJXJJFJOWGK-UHFFFAOYSA-N 358.461 4.086 0 1 FIAF Cc1c(O)c2ccccc2c2c1sc(=Nc1ccccc1)n2CCO 377640464 CXYUIBJNMBDIBY-UHFFFAOYSA-N 350.443 4.095 0 1 FIAF C[C@H](C(=O)O)c1ccc(C(=O)c2cccc(-c3occc3C(=O)O)c2)s1 2382249453 OBVPXZZNHDKFLW-JTQLQIEISA-N 370.382 4.125 0 1 FIAF COC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349614 CLGOIRDKJIONPP-IPFXWSOASA-N 356.393 4.218 0 1 FIAF CCC[C@]1(CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587800755 YWPLKWUNXGQQOP-PIGZYNQJSA-N 372.278 4.071 0 1 FIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3nccc(Cl)c3[nH]2)s1 587023702 UMDVOUXMCOSZFB-UHFFFAOYSA-N 351.819 4.082 0 1 FIAF C[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)n1cc(Cl)cn1 587079859 OQTZBHSVWAPZQH-RXMQYKEDSA-N 361.577 4.063 0 1 FIAF CCCCn1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587760271 OTKDIZIHSGXIBH-DIFFPNOSSA-N 366.278 4.208 0 1 FIAF COc1ccc([C@@H](c2ccccc2)c2nc3cnc(Cl)[nH]c-3n2)cc1 587932604 HPRVNZVYIAKUSI-MRXNPFEDSA-N 350.809 4.147 0 1 FIAF O=C(O)CCCCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991838 WZSXFVPEWKRZHH-UHFFFAOYSA-N 361.397 4.339 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3ccccn3)c1)O2 587393059 BIMCSXSEPHBBKL-NRFANRHFSA-N 360.413 4.258 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Cn3cccn3)c1)CC2=O 587475424 LSBDIFAIPDWFHZ-NRFANRHFSA-N 362.429 4.296 0 1 FIAF CCCC[C@H](CO)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587820156 AGOCSHHRMLZNFJ-PPHDSNJXSA-N 358.295 4.136 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nccnc23)N1 587776501 DIMLXXFBKQRARX-MLCYQJTMSA-N 372.241 4.155 0 1 FIAF Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12 587585108 BCEPLRHASGPFFC-AVRDEDQJSA-N 372.380 4.051 0 1 FIAF CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587447206 NPXIOOSPHYFTEO-YDNWPOOJSA-N 370.445 4.039 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1c(C)cccc41)[C@@H](C2)C3=O 587438431 OFQZBSNOWKLMJY-GAJHUEQPSA-N 359.425 4.464 0 1 FIAF CC1(C)C[C@]2(CC[C@H]1O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352640 LMQXNOLOBCDKGS-KNKQGSTJSA-N 370.420 4.200 0 1 FIAF Cc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1C 587044064 YJHSANFPLCYVSX-INIZCTEOSA-N 357.866 4.489 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3cccn3)cc1)CC2=O 587474289 DTRVMASXJPHYHI-QFIPXVFZSA-N 362.429 4.411 0 1 FIAF CC[C@]1(c2ccc(C(F)(F)F)c(F)c2)NCCc2nc3ccccn3c21 962986760 KEOCJTAMHJKXAM-GOSISDBHSA-N 363.358 4.292 0 1 FIAF CCc1nn(C)c(Cl)c1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962993488 JBMDHXVIJHTHPG-SFHVURJKSA-N 372.925 4.240 0 1 FIAF O=C(C[C@H](Sc1ccc2ccccc2c1)C(=O)O)NCc1ccccc1 1772653595 FQXPQTFKRDCHEB-IBGZPJMESA-N 365.454 4.092 0 1 FIAF CCCNC(=O)c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1 13588171 ZBMVTZKSSKNBMX-UHFFFAOYSA-N 351.435 4.056 0 1 FIAF O=c1cc(/C=C/c2ccccc2I)[nH]c2ccccc12 1857546618 AAZHJCBAGPZPMG-MDZDMXLPSA-N 373.193 4.303 0 1 FIAF Clc1cccc(Cl)c1Cn1cnc2c(NCc3ccco3)ncnc21 3217895 FDNHMTIQGYMJFS-UHFFFAOYSA-N 374.231 4.387 0 3 FIAF Oc1ccc2nc(CN3CCC(Cc4c(F)cccc4F)CC3)[nH]c2c1 3820051 MXFGPUMERBZSLF-UHFFFAOYSA-N 357.404 4.001 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C/C=C\CCCC(=O)O 29343694 IWSCITFBDCQRGG-JFTBRIRESA-N 350.499 4.479 0 1 FIAF CCOC(=O)c1ccc(OC[C@H](Oc2ccc(C)nc2)C(C)(C)C)cc1 103199256 GXFYMUBNSFWUKQ-IBGZPJMESA-N 357.450 4.439 0 1 FIAF Cc1ccc([S@](N)(=O)=NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 25980033 OHTVJVFUNSAJSC-JOCHJYFZSA-N 358.250 4.235 0 1 FIAF C[C@H](C1=C(CCN(C)Cc2ncco2)Cc2ccccc21)c1cnccn1 66076824 HGLDEVLFUAEPJC-INIZCTEOSA-N 360.461 4.100 0 1 FIAF COc1cccc2c1ncc1c(CCO)cn(-c3ccc(F)cc3C)c12 26717976 XYAOFYLMYYYJNN-UHFFFAOYSA-N 350.393 4.170 0 1 FIAF CC(C)(C)COC(=O)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@H]2[C@@H]1O 66058946 ZUULTBBYUDMOAY-OUCVULTDSA-N 372.505 4.035 0 1 FIAF C[C@]12CC[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]1CC[C@](C)(CC(=O)O)O2 2356499427 DIOJOCARQQZEDG-DTVKZUOLSA-N 352.471 4.096 0 1 FIAF CCOC(=O)[C@@]1(C)CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 61903118 OYIVYZFQTTVYCF-QHCPKHFHSA-N 365.473 4.010 0 3 FIAF O=S(=O)(/C=C/c1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 27306571 HMQCGMUQHMJYNX-GZTJUZNOSA-N 351.471 4.048 0 1 FIAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@H](O2)[C@@H]1/C=C/[C@@H](O)C1CCCCC1 29416537 CEHGUSRXHYTTPN-RYBJNPQESA-N 362.510 4.479 0 1 FIAF Cc1ccccc1CNc1ncnc2c1nc(C(C)C)n2C[C@@H]1CCCO1 82180444 ZGGIPXKPIKGDMC-KRWDZBQOSA-N 365.481 4.049 0 1 FIAF CCO[C@H](c1ccc2c(c1)OCCO2)[C@@H](SC(C)(C)C)n1ccnc1 45365269 CAUHKDAIFSLMRU-QZTJIDSGSA-N 362.495 4.462 0 1 FIAF COc1ccc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)c(F)c1 95755509 XDNYXFVRNDWGOI-UHFFFAOYSA-N 362.382 4.024 0 1 FIAF Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl 254091737 DFFKHQMOSUXPAS-HDJSIYSDSA-N 370.888 4.117 0 1 FIAF COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)co2)cc1OC 621431135 PMIOZUSHVWKQAC-AWEZNQCLSA-N 351.402 4.455 0 1 FIAF Cc1ccc(CN(C[C@H](O)COc2cccc3[nH]ccc23)C(C)C)cc1 2382241341 DATIIRCDEAONFX-IBGZPJMESA-N 352.478 4.127 0 1 FIAF O=C(Nc1ccc(F)c2[nH]c(C(=O)O)cc12)c1ccc(F)c(Cl)c1 2382252530 IREGODBTTHBNOF-UHFFFAOYSA-N 350.708 4.050 0 1 FIAF CCc1c(C(=O)N2CCN(c3ccccc3)CC2)[nH]c2ccc(Cl)cc12 299861631 IMMJKXDQRLJWTD-UHFFFAOYSA-N 367.880 4.346 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccnc1 587864746 OGXVEMPHIIVAPY-UHFFFAOYSA-N 361.323 4.051 0 1 FIAF COC(=O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1C 587104847 KTVFDNFOIOEBDL-UHFFFAOYSA-N 368.392 4.238 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1OC(F)(F)F)[C@@H](C2)C3=O 587422534 OFVUBIJIOKSXKH-DYZYQPBXSA-N 368.282 4.222 0 1 FIAF COc1ccc(F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587727162 ATPJYRVOQLLTIQ-HUTHGQBESA-N 368.221 4.360 0 1 FIAF Clc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2n1 586995248 HYZCFVNDJRUILW-UHFFFAOYSA-N 351.635 4.028 0 1 FIAF CCOC(=O)[C@H](C)n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510650 BXVKDNNDJJZCCQ-VBKZILBWSA-N 367.445 4.198 0 1 FIAF CCCCC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354773 OSUMUXKUJQOTQA-PZJWPPBQSA-N 356.393 4.408 0 1 FIAF CS(=O)(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc(F)c12 587633421 BIIXQPWIWRNCGD-UHFFFAOYSA-N 357.328 4.396 0 1 FIAF Brc1ccnc2[nH]c([C@H]3SCCc4sccc43)nc12 587036606 HDQPPUNPVWSLFP-NSHDSACASA-N 352.282 4.161 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc2c(nn1)CCC2 587865831 KZNJHOZSIIDCLD-UHFFFAOYSA-N 374.366 4.236 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(C(=O)O)c3)o1)O2 587414573 WBUWPAOEJNVPHE-IBGZPJMESA-N 363.369 4.242 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)s2)N1 587846549 ICHPVZTZESXYAU-AYVTZFPOSA-N 354.244 4.086 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c(C(=O)O)c1)CC2=O 587479171 LDOKAVJDOCJLGI-LJQANCHMSA-N 370.401 4.148 0 1 FIAF CCCC[C@@H](CC)C(=O)c1c(CO)oc2cc(Br)cnc12 587272837 CHFZZDFHYNWTMA-SNVBAGLBSA-N 354.244 4.482 0 1 FIAF COc1ccc(C(=O)c2ccccc2-c2nc3cccc(O)c3[nH]2)cc1F 587143943 FXOVBDSXDLINTI-UHFFFAOYSA-N 362.360 4.314 0 1 FIAF CCC[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963604017 DGRAUMCOSGHBCZ-QRQCRPRQSA-N 355.478 4.290 0 1 FIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCC[C@@H]3CCCC[C@@H]32)N1 963229788 QAHMUUNSNIOKBR-AIZHXONPSA-N 350.462 4.019 0 1 FIAF O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccn1 11665041 ILCYFYGUSIKWMH-HXUWFJFHSA-N 359.454 4.412 0 3 FIAF Cc1nc2cnccc2n1CCCO[C@@H]1CC[C@H](c2ccc(F)cc2)O1 11687525 DPLGULRGBPMLCH-UXHICEINSA-N 355.413 4.163 0 1 FIAF CNC[C@@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1 14961045 IPHKZGAEKMFMAW-QGZVFWFLSA-N 363.852 4.025 0 1 FIAF Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(Cl)c(Cl)c1 169325967 XEWGQKKEEPOSJO-UHFFFAOYSA-N 373.243 4.248 0 1 FIAF Cn1cc(-c2ccc3c(c2)CC[C@@H]3N=O)c(-c2ccc3c(cnn3C)c2)n1 169686144 DXWKANKMOAIVKQ-IBGZPJMESA-N 357.417 4.395 0 1 FIAF Cc1ccc(C)n1[C@H]1C(=O)N(Cc2ccc(Cl)nc2)c2ccccc21 206028967 KCXKZTGKSAKDIE-LJQANCHMSA-N 351.837 4.290 0 3 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(C)=O 1857536559 DJJZPTWGFYVUFB-XVGQKIRDSA-N 374.521 4.059 0 1 FIAF COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(F)cc4)ccc32)cc1 1857649706 ZSGUMYRXGYJRFB-UHFFFAOYSA-N 361.372 4.231 0 1 FIAF Cc1ccc2c(cnn2C(=O)CCCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c1 6768592 XYLLPFRYMJNBHB-BQFCYCMXSA-N 355.482 4.096 0 1 FIAF CCO/C(O)=C1/C(C)=NC(S)=N[C@@H]1c1ccc(Br)cc1 103920125 SJRHEBNVSHNLBX-NPRUJURCSA-N 355.257 4.057 0 1 FIAF Cc1cc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)nc(C)n1 28647395 VCHQXLUYFOEETB-OAHLLOKOSA-N 354.262 4.179 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 33696845 ZOIUUCNFVDJSJK-LWFHIICWSA-N 374.569 4.039 0 1 FIAF COc1ccc([C@@](C)(O)c2nc(-c3ccccc3O)nc3ccccc23)cc1 1911586829 HBINVWAKHOVXJV-HSZRJFAPSA-N 372.424 4.267 0 1 FIAF CCc1c(Oc2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O 43023696 XTNVKUFMUZHZQB-UHFFFAOYSA-N 354.450 4.009 0 1 FIAF CC(C)OC(=O)N[C@H](OC(=O)Nc1ccccc1)C(Cl)(Cl)Cl 68586458 AWONYULUCUTRMK-SNVBAGLBSA-N 369.632 4.066 0 1 FIAF biogenic CCCC(=O)c1c(O)c2c(c3c([C@@H](O)CC)cc(=O)oc13)OC(C)(C)C=C2 84670724 FVVAKBFHVJJOKV-ZDUSSCGKSA-N 372.417 4.109 0 1 FIAF biogenic CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCCOC)CC2=O 587477522 CVCVQFFJEQRZEZ-NRFANRHFSA-N 370.445 4.467 0 1 FIAF Fc1ccc(-c2nc3ccc(I)cc3[nH]2)cc1F 587145934 VTQRHMSFCYDBJE-UHFFFAOYSA-N 356.113 4.113 0 1 FIAF Cc1cccn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 587776326 WOILNIDGMZQYMP-GTNSWQLSSA-N 374.257 4.168 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(O)c2F)N1 587713472 CRQKJGZKDIQUNB-VGDKGRGNSA-N 372.184 4.196 0 1 FIAF CC[C@]1(c2nccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587851176 BEUMKQACZHFUIL-PSLIRLAXSA-N 355.276 4.233 0 1 FIAF CCS(=O)(=O)c1ccc2nc(-c3c(C)ccc4ccccc34)[nH]c2c1 586883124 GJHZIRPKKKDNPO-UHFFFAOYSA-N 350.443 4.485 0 1 FIAF CC[C@H]1c2cc(OC)ccc2CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587403697 PYDWUQWFACHVKC-AVRDEDQJSA-N 351.446 4.430 0 1 FIAF COc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc(Cl)c1O 587045889 IKGFTHNKOZTNBS-UHFFFAOYSA-N 371.593 4.499 0 1 FIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)c(O)c2[nH]1 587149597 HTONRAXCSHQUGP-SSDOTTSWSA-N 369.165 4.449 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)C[C@@]3(C)O[C@H]23)N1 587837607 JDKODYWVLSHIBY-OSFLCWLCSA-N 368.290 4.295 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([C@H](C)C(=O)O)cc1)(C(C)C)O2 587409433 TZTNKPQLGGTCPJ-RCDICMHDSA-N 367.445 4.282 0 1 FIAF Brc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cn1 587036689 JSZZSQVUNGJMSD-GFCCVEGCSA-N 352.282 4.161 0 1 FIAF O=C1C[C@H]([C@@]2(c3cccc(F)c3)CCOC2)Oc2c1ccc1c2CCCC1 587502915 IRFFBCDAVGJFMZ-GGAORHGYSA-N 366.432 4.397 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CF)c1ccccc1 587555665 LOQAKAZOUJYXFA-NQIIRXRSSA-N 350.345 4.219 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cncs1 587867288 WFONJXYMGLMONJ-UHFFFAOYSA-N 367.352 4.113 0 1 FIAF Fc1cc(Br)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587016835 ONWZXXVTJOBOEO-LLVKDONJSA-N 368.231 4.440 0 1 FIAF CC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587847633 LUXPKDIEJCVPDU-VPTHRUTESA-N 368.271 4.476 0 1 FIAF CC1(C)COC(c2cccc(-n3c(O)ccc3OCc3ccccc3)c2)=N1 587935766 PYQBLWWGMPVAIF-UHFFFAOYSA-N 362.429 4.317 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cccc(O)c12 587586728 DDWRIFCJXFHRJM-SIKLNZKXSA-N 373.364 4.282 0 1 FIAF COc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2n1 587077375 WFAKBTOOXHNWLN-UHFFFAOYSA-N 352.781 4.055 0 1 FIAF CC(C)[C@@](C)(O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586886853 GXVWHIQDKJVVFB-GFCCVEGCSA-N 367.165 4.088 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cccc(Cl)c1)O2 587377483 IWGZYWOYSLKNKR-AQKVLALTSA-N 356.853 4.167 0 1 FIAF COCC[C@@]1(c2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962717867 RBTQLNCRNJRBRL-XMSQKQJNSA-N 371.521 4.469 0 1 FIAF Cc1ccc2nc([C@H]3c4ccsc4CCN3Cc3cccn3C)[nH]c2c1 962369312 CKMJZYMOUCFPKP-HXUWFJFHSA-N 362.502 4.419 0 1 FIAF C[C@@H]1C[C@]2(CN1Cc1ccccc1)c1c(F)cccc1C[C@H]1CCCN12 963095304 COODGONOSTVRGA-LLBVYWAGSA-N 350.481 4.336 0 1 FIAF CC[C@]1(c2cc(C(=O)O)ccc2F)c2cc(OC)ccc2CCN1C(C)C 962094777 SBCMSWHZUZZNQN-JOCHJYFZSA-N 371.452 4.453 0 1 FIAF NC(=O)c1c(F)ccc(OCCCOc2ccc3ccccc3c2)c1F 1772626904 SNLJPJXHZKQABL-UHFFFAOYSA-N 357.356 4.065 0 1 FIAF CC(C)C[C@H](NC(=O)/C=C/c1ccccc1)NC(=S)Nc1ccccc1 1772618095 DMZAMUQQHXNFAM-JKIKYLSZSA-N 367.518 4.175 0 1 FIAF C[C@H](Cn1cc[nH]c1=O)c1ccc(OC(F)(F)F)c(OC2CCCC2)c1 13438861 QVWKYJCPMLPKOA-GFCCVEGCSA-N 370.371 4.200 0 1 FIAF O=C1Oc2cc3occc3cc2[C@@H]2[C@H]1[C@@H]1C(=O)Oc3cc4occc4cc3[C@H]21 169459097 ZNCWXXJTDDGKHO-FGYAAKKASA-N 372.332 4.130 0 1 FIAF Cc1c(-c2ccccc2)cccc1-c1cc2ccc(CNCCO)cn2n1 1857534095 FSIJZAKUZYFSNQ-UHFFFAOYSA-N 357.457 4.059 0 1 FIAF Cc1cc(-c2c(NC(=O)CC3CCCC3)nn3cccnc23)ccc1F 1857550027 RUPJZKQOQVBAPG-UHFFFAOYSA-N 352.413 4.363 0 1 FIAF Nc1ncccc1-c1cc(Cc2ccc(Nc3ccccc3F)nc2)no1 1857572775 QQVHHKIHGJRDNG-UHFFFAOYSA-N 361.380 4.187 0 1 FIAF Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccc(C)o4)nc3c2)cc1 1157294 MZYDGAQBXDXOBJ-UHFFFAOYSA-N 367.430 4.241 0 1 FIAF COc1ccc2cc3cc(C(=O)NCc4ccc(C)o4)sc3nc2c1 4899963 KTFWYWUHFXZPJF-UHFFFAOYSA-N 352.415 4.290 0 1 FIAF Fc1ccc(CN2CCN(c3nc4sccc4n4cccc34)CC2)cc1 13755965 YTWMOTHGBHTPOA-UHFFFAOYSA-N 366.465 4.010 0 1 FIAF CSc1ccc(CC(=O)c2ccccc2C(=O)N2CCCCC2)cc1 40564136 RVLPKPKMEANNOU-UHFFFAOYSA-N 353.487 4.460 0 1 FIAF CC(C)CC(C/C=C1/C[C@@](O)(COC(=O)C(C)(C)C)OC1=O)CC(C)C 45358176 DYPYAFVOTZYYQA-YWUCYRDRSA-N 368.514 4.236 0 1 FIAF Cc1ccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 71287387 LQCXQSSMOLXWMD-UHFFFAOYSA-N 370.412 4.338 0 1 FIAF C[C@@H]1CCC[C@@H](C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1 95576568 LEBIBPNJIMKQIQ-TZMCWYRMSA-N 359.857 4.142 0 1 FIAF CCOC(=O)CCCCN[C@]1(c2ccccc2Cl)CCCCC1=O 96911366 KFZMXHQTFSGYLL-IBGZPJMESA-N 351.874 4.001 0 1 FIAF CN1[C@H]2CC[C@H]1[C@@H](COc1ccc3c(c1)OCO3)[C@@H](c1ccc(F)cc1)C2 100801326 CUWDCKZGAWYXEX-RNQOJCNYSA-N 369.436 4.200 0 1 FIAF COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(OC)cc2)cc1 100834160 UVTIKAPUYIWFDZ-NGRWLJPCSA-N 367.489 4.435 0 1 FIAF CCCN(C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)C(C)C 166496265 OGRNFOUGQNSZLG-UHFFFAOYSA-N 365.477 4.495 0 1 FIAF C[C@@H](CF)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N(C)C2 169334412 ZSLWUVZDXDAKIP-JCQOCUOUSA-N 353.865 4.055 0 1 FIAF COc1ccccc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)C)C[C@@H]2C 169702344 PCZGNVHCWFIODB-ZDUSSCGKSA-N 363.465 4.412 0 1 FIAF O=C(CCCCCOc1ccccc1O)Nc1ccnc(C(F)(F)F)c1 299871902 ZKFKSDXMXUBSCS-UHFFFAOYSA-N 368.355 4.384 0 1 FIAF C[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)n1cc(Cl)cn1 587079045 FPGXDGAIGDOBLR-LURJTMIESA-N 365.693 4.071 0 1 FIAF CCOC(=O)[C@@H]1c2nc3cccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O 587107700 TYUPHDWODYPZSZ-XIKOKIGWSA-N 357.409 4.285 0 1 FIAF Cc1ccc(C)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12 587143630 BULOOJZRPZLXAB-CQSZACIVSA-N 362.246 4.324 0 1 FIAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587159932 YVBJBQZXLWLEQB-UHFFFAOYSA-N 372.359 4.437 0 1 FIAF Cc1ccc(NC2(c3nc4nc(Br)c[nH]c-4n3)CCCC2)cc1 587237766 WJJDNQGOSZSWGJ-UHFFFAOYSA-N 372.270 4.257 0 1 FIAF CC(C)O[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587359062 ZLMUQCIUEPRZDT-SVFBPWRDSA-N 356.393 4.216 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Cl)ccc1Br)O2 587375552 DKQKIOBROAEJFX-LBPRGKRZSA-N 367.630 4.095 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1ccccc1F)O2 587384778 IQRGXHVRGUTOGB-HXUWFJFHSA-N 350.393 4.273 0 1 FIAF COc1cc(Cl)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587419959 FZCRKDANURMZRO-ZMZPIMSZSA-N 365.212 4.499 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(Cl)c1O)[C@@H](C2)C3=O 587423669 VFRHKIICSOOWRR-DYZYQPBXSA-N 351.185 4.196 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1coc3cc(F)ccc3c1=O)CC2=O 587473118 XHEJNPVSHZOREX-LJQANCHMSA-N 368.360 4.297 0 1 FIAF CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C)C1 587524374 NGLRRWLESLRZAM-VKIFBMEASA-N 356.462 4.269 0 1 FIAF C[C@@]1(c2ccnc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551567 GZTFTBLCZDVUME-XLIONFOSSA-N 367.788 4.318 0 1 FIAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(OCc3ccccc3)c2c1 587649317 HIPOWNXUOQLBIL-UHFFFAOYSA-N 369.364 4.169 0 1 FIAF Cc1c(-c2ccccc2OC(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587649319 HKOOSAVFBXPDNQ-UHFFFAOYSA-N 351.374 4.148 0 1 FIAF CC(=O)c1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587816392 XPAFCEQAKRNHAK-MLCYQJTMSA-N 362.242 4.414 0 1 FIAF CC[C@@]1(c2cccc(O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587832564 JXUTZUPRPKUPFK-VOJFVSQTSA-N 364.258 4.482 0 1 FIAF O=C(O)c1ccnc2cc(OCc3ccc(Cl)c(OCC4CC4)c3)[nH]c12 653722480 RHPSPIUSPOTEGT-UHFFFAOYSA-N 372.808 4.282 0 1 FIAF CCCOc1cc([C@@H]2NCCc3cc(Cl)ccc32)cc2nc(N)oc12 963392138 YCXREKDEWXLWMR-KRWDZBQOSA-N 357.841 4.087 0 1 FIAF C[C@H](NC(=O)[C@]1(C)CON=C1c1cccc(Cl)c1)c1ccc(F)cc1 772228 JSMZCJKERKIZFM-HXPMCKFVSA-N 360.816 4.097 0 1 FIAF CN1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 13861057 UOAOMCIHXQMCHQ-IRXDYDNUSA-N 355.309 4.011 0 1 FIAF C[C@H](C(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21)c1ccccc1 13862174 OMIHAHIFOQOGBE-ZDUSSCGKSA-N 358.393 4.147 0 1 FIAF COc1cccc(C(=O)N[C@](C)(C(=O)c2ccc(C)cc2)C(C)C)c1C 27547627 YTOJQFRDTABCDW-QFIPXVFZSA-N 353.462 4.339 0 1 FIAF O=C(CCCCN1CCN2c3ccccc3CC[C@H]2C1)c1ccc(F)cc1 28121841 HNVLTQZTSZKWJM-NRFANRHFSA-N 366.480 4.316 0 1 FIAF CCNC(=O)c1ccc(C=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)cc1 28394116 ZXBIQGUHDBXQGK-OYRHEFFESA-N 350.462 4.240 0 1 FIAF CC(C)n1c(=O)n([C@H](CCN(C)C)c2ccccc2)c2c(F)cccc21 34986561 IHFKYJNUXPYFQN-GOSISDBHSA-N 355.457 4.064 0 1 FIAF CN(Cc1ccco1)c1ncnc2ccc(-c3ccc4c(c3)OCCO4)cc12 36380637 MGWISWVMGDPFEE-UHFFFAOYSA-N 373.412 4.297 0 1 FIAF O=C(NC1CCCC1)c1noc(-c2cccc(Cl)c2)c1Br 66074030 RCPHTZSHFQKRLN-UHFFFAOYSA-N 369.646 4.430 0 1 FIAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCN1CCOCC1 72124701 XKTXYERIMLVMSP-NRFANRHFSA-N 369.896 4.127 0 1 FIAF Cc1cccc(-c2noc(C3CCN(C(=O)CCC(F)(F)F)CC3)n2)c1 82153917 KXPTVVZSZLPPMQ-UHFFFAOYSA-N 367.371 4.094 0 1 FIAF COc1cc(-c2cc3cc(/C=C/C(=O)O)cc(OC)c3o2)ccc1N(C)C 96934921 VESQXHICSJQYCG-VMPITWQZSA-N 367.401 4.281 0 1 FIAF COc1cc(-c2ccc3ncnc(Nc4cccc(O)c4)c3c2)ccc1O 143157457 LXUOHVWXSIYKFA-UHFFFAOYSA-N 359.385 4.460 0 1 FIAF COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN(C)C)cc1 149888583 SRZXAPKPOAKZSD-UHFFFAOYSA-N 364.470 4.480 0 1 FIAF COc1cccc2c1NC(=O)C(Cc1ccccc1)(Cc1ccccc1)[C@@H]2O 169346081 HYAWMAVNFZJJFO-JOCHJYFZSA-N 373.452 4.153 0 1 FIAF CCCC[C@@](C)(O)C1=CC[C@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@@H]3C1 169373280 OULNYHNCKOSAJM-GPJHCHHRSA-N 355.522 4.168 0 1 FIAF Cc1ccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)cc1 221037011 CGULNRCYZSHNDF-QMIHWGKISA-N 374.456 4.308 0 1 FIAF CC(=O)OC/C(C)=C\Cc1cc(/C=C\C(=O)O)cc(CC=C(C)C)c1O 238732970 LEMIBGJUUNCMCQ-UBLJSVCISA-N 358.434 4.051 0 1 FIAF O=C1Cc2ccccc2N1C1CCN([C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 261176239 UXEWRPZUKRZGHB-NQSCKRDGSA-N 352.522 4.399 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC)c(C)cc2[nH]1 586917006 QQHWFKYOJPCHRU-BTYIYWSLSA-N 350.418 4.096 0 1 FIAF Cc1nn(C)cc1-c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586987229 LLUWHZZLLRYXOC-UHFFFAOYSA-N 355.397 4.169 0 1 FIAF Clc1ccc2c(c1)C[C@H](c1nc3c(Br)ccnc3[nH]1)O2 587081164 UCSMZZMZXLNMIF-LLVKDONJSA-N 350.603 4.050 0 1 FIAF N[C@@H](N=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133933 FOFJAHGSUJUDOQ-ICTCPBKTSA-N 368.265 4.153 0 1 FIAF Nc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1N 587151693 SXOOBNNRQJMDJR-LJQANCHMSA-N 366.371 4.174 0 1 FIAF COc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1Cl 587156216 ZYDHGMWDCWAKKM-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF Cc1cc(F)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1 587161864 RWZVTUHIQIYYQP-UHFFFAOYSA-N 359.767 4.110 0 1 FIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 587241773 HZEUTVFJPFOPFG-UHFFFAOYSA-N 369.396 4.442 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCC23CCOCC3)[C@@H]1c1ccc(F)cc1 587355695 FWYWPSNUBALZAP-KNQAVFIVSA-N 368.404 4.220 0 1 FIAF CCOC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 587377241 VODYINOVIBLPHN-QGZVFWFLSA-N 359.809 4.114 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1OC(F)F)[C@@H](C2)C3=O 587424508 ZJHWGVAVAZVUQV-ORAYPTAESA-N 364.319 4.099 0 1 FIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4COc4ccccc41)[C@@H](C2)C3=O 587454013 QUKANLKVLVAPLG-CYFREDJKSA-N 370.404 4.279 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587509405 CMZDVYPTIOLJFG-NYHFZMIOSA-N 371.477 4.347 0 1 FIAF O=C1C[C@](c2ccccc2)([C@H]2C[C@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587528967 HELJVXWCWOVRDX-MSYCTHLASA-N 362.425 4.147 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)C1CC1 587586947 MELSDNKMWWBYOP-DENIHFKCSA-N 359.381 4.054 0 1 FIAF C[C@@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592342 YBLLSYWZRUMNEI-AVRDEDQJSA-N 372.380 4.146 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1scnc1C1CC1 587617214 JHAVEQIBKMGMAU-BEFAXECRSA-N 365.410 4.429 0 1 FIAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CN1CCOCC1 587628268 QHYJAPYUAPXHAI-UHFFFAOYSA-N 366.305 4.346 0 1 FIAF CCn1cnc(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587705263 LYAXPZVWBHDYQT-AMIZOPFISA-N 372.669 4.082 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)C(F)F)N1 587708173 XZISKMJSTOUMSE-SREIQFSDSA-N 358.148 4.238 0 1 FIAF CCc1cnccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587770488 AGHPYQYPDZCWCC-ADLMAVQZSA-N 363.274 4.343 0 1 FIAF COC(=O)Cc1ccccc1-c1nc2cc(Br)cc(C)c2[nH]1 587783285 MEOPNMUDSWRSTE-UHFFFAOYSA-N 359.223 4.016 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2NCC3)N1 587797364 SCBHGZNTOCGIPR-YPMLDQLKSA-N 361.258 4.180 0 1 FIAF CCc1csc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587851179 HMCYGIZPCVVUNW-RTHLEPHNSA-N 355.276 4.231 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(F)n1 587865038 SYWLCECAYRBXCI-UHFFFAOYSA-N 351.303 4.491 0 1 FIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]21c2ccccc2CC12CCOCC2 963112506 PVEJORQQXXNJTR-HYBUGGRVSA-N 363.476 4.443 0 1 FIAF O=C(O)c1ccc(COc2cccc(-c3nc(O)c4ccccc4n3)c2)cc1 1772587670 OKRYJXBHOZWHTH-UHFFFAOYSA-N 372.380 4.280 0 1 FIAF CSc1nc2cc(C(=O)Nc3cccc(Cl)n3)c(Cl)cc2[nH]1 1857644613 IPHSSHKGLBXFFM-UHFFFAOYSA-N 353.234 4.239 0 1 FIAF CC(=O)OCC(=CCO)[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)O1 2356527643 FGEVYIKISBOJQP-AINOVGTFSA-N 364.526 4.258 0 1 FIAF Cc1cccc(N2C(=O)[C@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)c1 2115078 UMCXLSCKQMNPGB-GOSISDBHSA-N 359.429 4.105 0 1 FIAF biogenic CC[C@H]1CC[C@@H](C)N(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 3955308 LBQBVEOMGIXIIR-CVEARBPZSA-N 362.477 4.336 0 1 FIAF CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C 13470186 NRKKZJALIFDZIJ-IRLDBZIGSA-N 365.477 4.229 0 1 FIAF in-vivo CC(C)N(C=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 13740906 LTWNPNPVOVXRJF-MAMZKFLISA-N 374.569 4.085 0 1 FIAF CC(=O)[C@@H]1CC[C@@H]2C3=C(CC[C@]21C)[C@@]1(C)CCC(=O)c2coc(c21)C3=O 14829810 GDCYYXQGEPRZNL-PXZGAOKCSA-N 352.430 4.422 0 1 FIAF biogenic COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@@H]3CCOC3=O)[C@H](C)CC[C@H]12 26579409 ZRFBDZGXQIKFNC-RDYDYKFFSA-N 350.499 4.362 0 1 FIAF CCN(CC)CCS[C@@H]1c2cc(OC)ccc2OCc2ncccc21 26835860 BIQHUFBBLXLCOC-FQEVSTJZSA-N 358.507 4.147 0 1 FIAF CC(=O)c1ccc2c(c1)[C@](O)(C[C@@H](C)CN(C)C)c1ccccc1S2 27731860 RXLJVFFMJLBOPC-SZNDQCEHSA-N 355.503 4.178 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 33696847 ZOIUUCNFVDJSJK-CSSSSBCVSA-N 374.569 4.039 0 1 FIAF CCC(=O)c1cnn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc12 58575964 SDGCYXKGBNBPKG-UHFFFAOYSA-N 363.248 4.063 0 1 FIAF CC(C)C(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3ccccc3)cc2)C1 72123154 LVMYACNRPQHLBX-UXHICEINSA-N 364.489 4.257 0 1 FIAF Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)Cc1ccccc1)CC(=O)N2 72187821 FILHCBGVNHCKDT-XMMPIXPASA-N 370.452 4.108 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(F)cc2)n1 82139440 PNCURBSBIDRMQY-AWEZNQCLSA-N 358.461 4.221 0 1 FIAF CC[n+]1c(C[C@@H]2C=C(C)N=C(c3ccccc3)N2C)ccc2ccccc21 84415196 WNJQWMVHCPGIAR-QFIPXVFZSA-N 356.493 4.354 0 1 FIAF CC(=O)c1c(Nc2cc(F)ccc2F)[nH]c2c(F)ccc(F)c2c1=O 84633485 HACHRVVORFGSMT-UHFFFAOYSA-N 350.271 4.031 0 1 FIAF CCCn1cc(-c2ccccc2)nc1[C@H]1C[C@@H]1c1nc2c(C)ncc(C)n2n1 96177992 IJCQEHMWMZVVTK-ROUUACIJSA-N 372.476 4.286 0 1 FIAF CC(=O)Nc1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1 96273119 ZOFASNAZWXWLSK-UHFFFAOYSA-N 368.433 4.439 0 1 FIAF O=C(O)[C@H]1CCCN(CCO/C=C/c2ccccc2Cc2ccccc2)C1 96923637 ZYHNOHYSMANAKL-GLBTYYSXSA-N 365.473 4.061 0 1 FIAF CC(=O)OC[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN32 100912941 BLJIZPWSKVXUMY-QDAMHFNCSA-N 366.288 4.423 0 1 FIAF CC(C)c1ccc(NC(=O)C[C@H]2C(=O)OC(C)(C)CN2C2CCCC2)cc1 117784422 MCILZQFPQQVSFY-IBGZPJMESA-N 372.509 4.087 0 1 FIAF Cc1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cnc1N1CCCC[C@@H]1C 118838807 XKLRMVYAFGJUHM-AWEZNQCLSA-N 374.448 4.362 0 1 FIAF CC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)O)CC[C@@]32O)C1 118935091 ZDWIKYATNSEKOF-ARLLXNIOSA-N 362.554 4.346 0 1 FIAF CCN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nc(N)nc(N)c2c1 169344383 JWUUOWDJIKYAME-UHFFFAOYSA-N 362.264 4.128 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169358862 ZOIUUCNFVDJSJK-SOOXLLGBSA-N 374.569 4.039 0 1 FIAF Ic1ccc(OCCCCCCn2ccnc2)cc1 299864187 QRPAUYIEHPSLOM-UHFFFAOYSA-N 370.234 4.127 0 1 FIAF Cc1cc(NCc2c(F)ccc(C)c2Cl)c2cccc(C(N)=O)c2n1 473089281 KSZUULRZDQCWCH-UHFFFAOYSA-N 357.816 4.355 0 1 FIAF O=Cc1ccc(OCc2occc2-c2nc3ccc(Cl)nc3[nH]2)cc1 586900370 HIRMIBWSAMGMST-UHFFFAOYSA-N 353.765 4.263 0 1 FIAF Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc[nH]4)nc13)-c1ccccc1C2=O 587096375 IWVWGMKMJAZVLC-UHFFFAOYSA-N 368.392 4.377 0 1 FIAF C[C@H](c1nc2c(S)nc(S)nc2[nH]1)c1ccccc1C(F)(F)F 587098924 USDNRRPCZSRTFY-LURJTMIESA-N 356.398 4.101 0 1 FIAF CCOC(=O)Cc1c(C2CC2)nc2cccc3c2c1-c1ccccc1C3=O 587107270 RHZFORRSPZMQTH-UHFFFAOYSA-N 357.409 4.429 0 1 FIAF Cc1cnc2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 587190789 NZVLKKTVCMVNLA-MRXNPFEDSA-N 352.438 4.223 0 1 FIAF C=C(NC(C)=O)c1nc2cc(OCCCCC)c(Br)cc2[nH]1 587202296 FCGXOEHWHSGHIL-UHFFFAOYSA-N 366.259 4.001 0 1 FIAF Cc1ccc(CC(=O)c2c(CO)oc3cc(Br)cnc23)c(C)c1 587274355 UANWDDIUZWQBEN-UHFFFAOYSA-N 374.234 4.125 0 1 FIAF C[C@@H]1CCCC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355083 SFBDGJMWBKRESO-PCFDJQJPSA-N 354.377 4.018 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(Br)c2C[C@H]1C 587372720 QYCMBJBFSVQFLA-WYRIXSBYSA-N 372.262 4.393 0 1 FIAF COc1ccc(OC(F)(F)F)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587383128 QVVIZUGPLJPOKV-INIZCTEOSA-N 367.323 4.191 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cc1OC)[C@@H](C2)C3=O 587420561 KZYLEXADBAUFIY-UGSOOPFHSA-N 364.319 4.211 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCc4[nH]c5ccc(F)cc5c41)[C@@H](C2)C3=O 587429030 SKVCGYQFHLMTIY-OYHNWAKOSA-N 363.388 4.295 0 1 FIAF CCOC(=O)C(Cl)(Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500465 WZCZMPWMZXKVPW-KRWDZBQOSA-N 371.260 4.026 0 1 FIAF O=C1C[C@H](c2csc(Br)n2)Oc2c1ccc1c2CCCC1 587536705 ZLGFVJAQHQAZFD-CQSZACIVSA-N 364.264 4.491 0 1 FIAF C[C@H]1CCCCN1C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587761077 OFGZEOZEPIYGJK-VBHSOAQHSA-N 369.322 4.212 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nccnc3c2)N1 587779477 SQQHLFQENFHWJM-XTZNXHDOSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccncc23)N1 587801485 GXUSALRYIYCECB-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCCC2=O)N1 587817729 ANYFQUQJBHXGRO-YOIRWDDOSA-N 354.263 4.097 0 1 FIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(C)(C)C)nc4[nH]1)(C3)C2 587950001 IEEGUMUMKQFCBJ-BXBLUCELSA-N 367.493 4.409 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2C1(CN2CCOCC2)CCCCC1 963115989 WMGXOUSZCYTZLQ-UNMCSNQZSA-N 372.528 4.170 0 1 FIAF COc1ccc(C[C@@H](C)[C@H](C)Cc2cc(O)c(OC)c(O)c2)cc1OC 2356760224 PUBWXEQTXGPOAK-ZIAGYGMSSA-N 360.450 4.181 0 1 FIAF O=C(NCc1cccc(F)c1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 72136619 AYVQACXIJQHRBX-UHFFFAOYSA-N 363.314 4.165 0 3 FIAF Cc1ccc2oc3c(c(Br)c(Br)n3C)c(=O)c2c1 1656824 VKKMFHCERMRURA-UHFFFAOYSA-N 371.028 4.118 0 1 FIAF CCOc1cccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)c1 3911956 AFTZEGQZBPMGHV-UHFFFAOYSA-N 353.447 4.206 0 1 FIAF CC1(c2nnc3ccc(-c4ocnc4-c4cc(F)ccc4F)cn23)CC1 3948883 FDYFXQHQKJEWQH-UHFFFAOYSA-N 352.344 4.381 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OCC 4049523 WIYMYULHJCEQDA-FPOVZHCZSA-N 366.461 4.093 0 1 FIAF COc1cccc2c1CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620701 OVPZCOIKWJRELI-NQIIRXRSSA-N 360.457 4.288 0 1 FIAF Fc1cc2c(cc1OCCCCN1CCN(c3ccccc3)CC1)CCC2 26567509 KHYXSAVXVHRYHO-UHFFFAOYSA-N 368.496 4.296 0 1 FIAF C[C@@]12CO[C@@H](C1)[C@H](COCc1ccccc1)[C@H]2C/C=C/CCCC(=O)O 26013233 UBCWSGJBNGDBOC-GSRDSZPUSA-N 358.478 4.446 0 1 FIAF COc1ccc(C[C@@]2(C)NCCc3c2[nH]c2ccc(C)cc32)cc1OC 26664986 WSCOLWBBAXUPDP-JOCHJYFZSA-N 350.462 4.097 0 1 FIAF N[C@H](c1ccccc1)c1csc(NC(=O)Nc2cccc(Cl)c2)n1 61898704 WJKRVXRPQBODIA-OAHLLOKOSA-N 358.854 4.489 0 3 FIAF COc1ccc(O[C@]2(C)CCN(Cc3ccccc3OC(F)F)C2)cc1 61906895 YTBCUSBNXVUVOF-HXUWFJFHSA-N 363.404 4.340 0 3 FIAF CC(C)c1ccccc1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1 64550088 WDMJNZFTFJQXQP-QGZVFWFLSA-N 372.408 4.413 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H](OCC)[C@H](O)CCCCCCCC(=O)O 33820373 BHDZXVBBVBHNKG-WSECZEOJSA-N 358.519 4.065 0 1 FIAF O[C@H](CNCc1cccc(Cl)c1)Cn1c2c(c3ccccc31)CCCC2 73389136 LGWWVEJXOAWQCU-GOSISDBHSA-N 368.908 4.324 0 1 FIAF COc1ccc(C[C@H]2COC(=S)[C@@H]2Cc2ccccc2C)cc1OC 1911584827 RHXYKBZHIYWMRG-ZWKOTPCHSA-N 356.487 4.387 0 1 FIAF O=c1[nH]c2ccc(N3CCC[C@H]4CCCC[C@@H]43)nc2nc1-c1ccccc1 82231744 STRGLHVWUDFYLD-QAPCUYQASA-N 360.461 4.144 0 1 FIAF CC(C)(O)c1ccc([C@@]2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1 45348053 HJOCSJIDBUPHMN-XMMPIXPASA-N 365.517 4.412 0 1 FIAF Fc1ccc(F)c(-c2noc(C[C@@H]3CCN(Cc4ccsc4)C3)n2)c1 84671743 FXYBKIVLJHUMBC-LBPRGKRZSA-N 361.417 4.141 0 1 FIAF Clc1cnc2nc1NCc1cccc(c1)OCCOc1cccc(c1)N2 142437062 JRMWFZSAQXNBSZ-UHFFFAOYSA-N 368.824 4.257 0 1 FIAF Cc1cc2c3cccnc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1 299824395 BXIIFXYGDMSEMO-UHFFFAOYSA-N 367.456 4.377 0 1 FIAF Clc1ccc([C@H](CCN2CCCCC2)N2CCOCC2)cc1Cl 299822063 ODTKQPAQIAKYDZ-SFHVURJKSA-N 357.325 4.243 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(O)cc2F)N1 587723123 VLCVODBOCYOWIE-VGDKGRGNSA-N 372.184 4.196 0 1 FIAF CC[C@@]1(c2ccccc2OC(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420664 GOVTZSZAEWIERZ-VLIAUNLRSA-N 360.356 4.350 0 1 FIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587772798 WZDIDMGHDIJKNL-BBATYDOGSA-N 363.274 4.398 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2ccc(F)c(C)c2[nH]1)C(F)(F)F 587091981 KDGOJTBPJGFUKV-KRWDZBQOSA-N 367.346 4.174 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cnc(Cl)cc1Cl)[C@@H](C2)C3=O 587423322 WVXGTWCVNLJDEJ-BTDLBPIBSA-N 350.201 4.060 0 1 FIAF Cc1cccc(OC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587590990 FEYHSHLPWXDICC-PMACEKPBSA-N 362.381 4.110 0 1 FIAF COc1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568115 CWOAGVODYZJZBC-RXVVDRJESA-N 366.344 4.243 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccnc2n1 587589186 WBXXGENOHQIECL-WIYYLYMNSA-N 370.364 4.038 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC(=O)C2CC2)N1 587816236 VODDPISJSAVRLA-IINYFYTJSA-N 354.263 4.313 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2CC2)(C2CC2)N1 587815203 KQOATLJUILKFFR-MLCYQJTMSA-N 366.274 4.097 0 1 FIAF CC(C)(C)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2n1 587006160 DMWFQTWNHJMTIN-UHFFFAOYSA-N 370.254 4.333 0 1 FIAF FC(F)(F)c1ncc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2n1 587068194 LBIHVGMTDSJJEK-UHFFFAOYSA-N 364.718 4.082 0 1 FIAF COc1ccc(-c2ccc([C@@]3(C)NCCc4c(C(=O)O)cccc43)cc2)cc1 963121610 KDCICRFIAFLCEB-XMMPIXPASA-N 373.452 4.470 0 1 FIAF CC1(C)[C@H](OCc2ccc(CN)cc2)C[C@]12NCCc1cccc(Cl)c12 963380489 LMCSLPRCUHPMOD-DENIHFKCSA-N 370.924 4.155 0 1 FIAF CCOC(=O)[C@@H]1C(C)=C[C@]2(C[C@@H]1C(C)C)NCCc1ccc(F)c(C)c12 962298583 NCFQECSROCDZEZ-SFGWALBWSA-N 359.485 4.277 0 1 FIAF Cc1cc(=O)oc2cc(OCc3cc(-c4cccc(F)c4)no3)ccc12 1772582409 JZTCYHIHLGSRJG-UHFFFAOYSA-N 351.333 4.475 0 1 FIAF Cc1ccccc1CN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)C(C)(C)N2C1=O 12480290 KGGSXZOAUKHWTH-IBGZPJMESA-N 373.456 4.101 0 3 FIAF COc1ccc(-c2cccc(-c3ccc(OC)c(OC)c3)n2)c(OC)c1 169312272 MNDQJUWXMKNLCP-UHFFFAOYSA-N 351.402 4.450 0 1 FIAF Cc1nc(Nc2n[nH]c3ncc(F)cc23)cc(C2CCC(F)(F)CC2)n1 169700828 ZYERPFJFBXNWOJ-UHFFFAOYSA-N 362.359 4.232 0 1 FIAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCCCCCC3)[C@@H]2CC1 253652386 ZYMWQPPZCWPQSX-SPNOPHAYSA-N 361.526 4.088 0 1 FIAF COc1ccc(-c2onc(-c3c(C)cc(C)cc3C)c2C2=NCCN2)cc1 1629440 MUMKLVMJOFONTR-UHFFFAOYSA-N 361.445 4.292 0 1 FIAF O=C(OC(C(F)(F)F)C(F)(F)F)c1cc2c(cn1)[nH]c1ccccc12 64526762 OSMYMXKHKOTLKC-UHFFFAOYSA-N 362.229 4.366 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@@H]2C2=C(C(=O)OC2)[C@@H]1[C@@H](C)CCC=C(C)C 2356306039 AKUDLPRCYTWGQW-QCIVWXMUSA-N 360.494 4.446 0 1 FIAF Oc1ccc2nc(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)[nH]c2c1 66111672 FHHKBQDAMGSIJV-UHFFFAOYSA-N 366.384 4.355 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1CC(=O)[C@@H](C)[C@H]2CCC(C)=CCO 2356469444 NLSHPJQSTZKKHA-FVQLTZBISA-N 364.526 4.306 0 1 FIAF COC(=O)C1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 2356496031 BWADDJDJLUBKIC-PSOYPTMXSA-N 364.482 4.105 0 1 FIAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1n[nH]c(C)c1C 219025887 TUOUXVBLCNPBER-UHFFFAOYSA-N 370.456 4.113 0 1 FIAF COc1cccc(-c2nc3/c(=N/c4cccc(F)c4)[nH]ccc3[nH]2)c1F 74386803 MNPIMFQGHJOQQE-UHFFFAOYSA-N 352.344 4.077 0 3 FIAF C[C@@H](NCCc1nc(-c2cn(C)c3ccccc23)no1)C1CCCCC1 79605185 SPIAKLJFTLXEQY-OAHLLOKOSA-N 352.482 4.329 0 1 FIAF COC(=O)c1cc(-c2cccs2)c2c3cc(OC)c(O)cc3ccn12 38278820 GOVBAPYTYCDMLA-UHFFFAOYSA-N 353.399 4.322 0 1 FIAF Cn1c(-c2ccnc(Nc3ccc(O)c(Cl)c3)n2)nc2ccccc21 84710310 MQKRJXAMWDNEQQ-UHFFFAOYSA-N 351.797 4.133 0 1 FIAF CCCCCNc1ncnc2c1nc(CC(C)C)n2CCN1CCCCC1 82186644 UEFNVMUYLSTZRO-UHFFFAOYSA-N 372.561 4.113 0 1 FIAF C[C@@H]1CC[C@@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 40690369 SGGGMRQESKILIB-FBQXSHQRSA-N 370.489 4.466 0 1 FIAF CC(=O)c1c(Nc2cc(F)c(F)cc2F)[nH]c2c(F)cc(F)cc2c1=O 40424093 JTLXPFQOLMZPDA-UHFFFAOYSA-N 368.261 4.170 0 1 FIAF C[C@]1(c2nc3ccccc3[nH]2)c2ccccc2C(=O)N1Cc1ccccc1 95599730 YRVZUNSLVDBQOR-HSZRJFAPSA-N 353.425 4.482 0 3 FIAF Cc1cnc(NC(=O)N2CCN(c3ccc(C)c(Cl)c3)C[C@@H]2C)s1 2382262068 WKMOUXDHXLCERW-LBPRGKRZSA-N 364.902 4.156 0 1 FIAF COc1ccc(C(c2ccc(OC)c(OC)c2)[C@H](C)[C@H](C)CO)cc1OC 40865855 QCYCSEDIGPJTTD-HUUCEWRRSA-N 374.477 4.117 0 1 FIAF biogenic CSc1cccc(N(C)C(=N)Nc2cnccc2Br)c1 299837451 OMJYBLOZJGQGKC-UHFFFAOYSA-N 351.273 4.049 0 1 FIAF CC(C)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C 587763833 MVDKKHMGYORPRN-BTDLBPIBSA-N 366.278 4.069 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2N)N1 587845451 RCSSIEDXULKBKH-GLEZIHRCSA-N 355.276 4.030 0 1 FIAF COc1cc(C)ccc1OCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587564209 OQCQKKAJVVAHFH-UHFFFAOYSA-N 374.444 4.290 0 1 FIAF CC(C)Oc1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587177892 FFQDGDQSMHQOOH-UHFFFAOYSA-N 350.191 4.314 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1CC=C(Br)CC1)O2 587371940 IIZRKBDGNUVCJG-DIFFPNOSSA-N 350.256 4.380 0 1 FIAF Cc1c(F)ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587126455 XETKNZRKXJMTNG-JVXZTZIISA-N 353.323 4.181 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(F)c2)N1 587725866 SFOWSAGCOBGQEG-VPTHRUTESA-N 356.185 4.490 0 1 FIAF Cc1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2c1 587123723 GIEVYKURDVBWNV-UHFFFAOYSA-N 369.368 4.108 0 1 FIAF Clc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)nc3[nH]1)O2 587080451 NAZMNGGZCTVAJQ-NSHDSACASA-N 350.603 4.050 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCC(=O)O)(c1ccc(F)cc1)O2 587385978 WLVZWSSSNHBLIT-OAQYLSRUSA-N 371.408 4.222 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(O)c(F)c2)N1 587722569 SRTZCBMFHJBQOO-MLXNANBUSA-N 372.184 4.196 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)cs2)N1 587854685 RWWGTKIBMKUDCJ-QTTZVWFDSA-N 361.667 4.322 0 1 FIAF O=C1C[C@H](c2cccnc2Br)Oc2c1ccc1c2CCCC1 587495454 DFMIDHUZXGEPKB-MRXNPFEDSA-N 358.235 4.429 0 1 FIAF CCCn1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587753812 JRRJASLYEGLCGM-PIGZYNQJSA-N 351.263 4.423 0 1 FIAF Nc1cc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548261 OZLITGUVESVHJB-YLJYHZDGSA-N 367.788 4.331 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3C[C@H]2CCC3=O)N1 587826072 GHLMVQVUCIZPMY-KNQLMXMPSA-N 366.274 4.097 0 1 FIAF Cc1ccc(-c2nc3cccc(I)c3[nH]2)c(F)c1 587146698 SQZPPLHKDGSNDV-UHFFFAOYSA-N 352.150 4.282 0 1 FIAF COc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1C 587124120 LSWVUZRWFSETRV-XPTSAGLGSA-N 365.359 4.051 0 1 FIAF CC(=O)C[C@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587811840 HWGPVPYRRMWDDW-DIFFPNOSSA-N 356.279 4.343 0 1 FIAF Cc1nn([C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1Cl 587873474 BZDCSUCEGTZWCA-SNVBAGLBSA-N 360.776 4.163 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCCC(=O)O)N1 587828702 PMPHFMWNVSNJBN-GTNSWQLSSA-N 372.278 4.373 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Cl)s2)N1 587856238 WXLHQBZRTPOFIA-INWYIAFRSA-N 361.667 4.322 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCCC2OCCO2)N1 587832260 JEFQBAKKPSXRKJ-ZBEGNZNMSA-N 372.278 4.097 0 1 FIAF CC1=CC[C@]2(CC1)N[C@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963201880 SLHTUPLNAJVJLZ-BLLLJJGKSA-N 359.775 4.283 0 1 FIAF CC[C@@]1(c2ccc(F)c(Br)c2)NCCc2ccc(O)cc21 963340771 IBFCCFZWJOUXMM-KRWDZBQOSA-N 350.231 4.093 0 1 FIAF CCOc1cccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)n1 962691691 ARAHXXMARFCIJB-XOBRGWDASA-N 358.482 4.072 0 1 FIAF COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3O[C@H]2c2cccnc2)cc1 13220594 QBKCEPIJQDHOSD-IRLDBZIGSA-N 361.397 4.199 0 1 FIAF CCN(c1nc(C)cc(C)n1)c1c(Br)cc(OC)cc1OC 13794404 OQFBRKSYUGLJSA-UHFFFAOYSA-N 366.259 4.031 0 1 FIAF COc1ccc(C[C@@H](C)[C@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC 14646595 JHEXMPZEYDIRNZ-ZCCHDVMBSA-N 374.477 4.269 0 1 FIAF O=C1N=Nc2nc(CNCc3cccc(C(F)(F)F)c3)nc3cccc1c23 169710140 PAENJIIRKPNFRJ-UHFFFAOYSA-N 371.322 4.176 0 1 FIAF O=c1cc2c(c[nH]1)[nH]c1ncc(-c3ccc(CN4CCCCC4)cc3)cc12 200108057 FCQLKAWVWVURRM-UHFFFAOYSA-N 358.445 4.057 0 1 FIAF COC(=O)C(C)(C)CCCN[C@]1(c2ccccc2Cl)CCCCC1=O 1857548791 YIYNTBHDUSMIFY-FQEVSTJZSA-N 365.901 4.247 0 1 FIAF CN1CCC[C@@H](OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)C1 1857550100 KHLGLAZJVORACT-HXUWFJFHSA-N 356.441 4.106 0 1 FIAF CC(C)(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccccc1 114367809 PWRJEWJFZSGGQH-UHFFFAOYSA-N 373.456 4.437 0 1 FIAF N#Cc1cc(C2(O)CCC2)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl 216016548 VYCUQUPOQKHLFT-UHFFFAOYSA-N 366.804 4.430 0 1 FIAF CC[C@@H](CCc1ccc(O)c(OC)c1)CC(=O)NCCc1ccccc1 13489528 SNGBKGFMPFJILK-KRWDZBQOSA-N 355.478 4.109 0 1 FIAF COc1ccccc1-c1cc(F)c(NC(=O)C2=C(C(=O)O)CCC2)c(F)c1 13534070 OVKNEBRXQLZHFQ-UHFFFAOYSA-N 373.355 4.144 0 1 FIAF Cn1c2ccccc2c2nnc(N)c(-c3cccc(Br)c3)c21 13580560 VTUPIDUVNNDPHO-UHFFFAOYSA-N 353.223 4.133 0 1 FIAF CCN(CC)CCCCNc1cc2nc(N)c(-c3ccccc3)cc2cn1 13647849 COMJNASTFFNZAX-UHFFFAOYSA-N 363.509 4.413 0 1 FIAF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(Br)c1 26162076 SIAMKUUWUNIFFT-UHFFFAOYSA-N 351.248 4.124 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4C=C(O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26478483 CXIZEAWVDWCMQV-LNNIFQIBSA-N 370.537 4.432 0 1 FIAF O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)cn1 28889276 BPSGUTHNLYFYMX-OWOJBTEDSA-N 357.381 4.363 0 1 FIAF c1cc(-c2cc(N3CCCC3)ccn2)nc(-c2cc(N3CCCC3)ccn2)c1 35846850 FKMMELSIYVZOHI-UHFFFAOYSA-N 371.488 4.406 0 1 FIAF COc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 40430970 DZURQODWAPWASI-UHFFFAOYSA-N 364.395 4.267 0 1 FIAF C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COC(c1ccccc1)c1ccccc1 40631558 JGCOVNBZGICBIO-KNKQGSTJSA-N 353.506 4.416 0 1 FIAF C[C@@H](O)c1ccc(-c2ccc3ncnc(NCc4nccs4)c3c2)o1 66167309 HMLNEPWDGJDPLE-LLVKDONJSA-N 352.419 4.012 0 1 FIAF COc1cc2nc(N3CCCC3)nc(NCCC(C)(C)C)c2cc1OC 82128891 TYBRKJWPDWNDSO-UHFFFAOYSA-N 358.486 4.095 0 1 FIAF CCC[C@@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@@H](Cc4ccc(OC)cc42)[C@@H]13 102100276 CWLFBVVMPWYBAR-VCFYHUQZSA-N 367.533 4.369 0 1 FIAF O=C1c2ccccc2[C@](O)(c2ccc3cc[nH]c3c2)N1Cc1ccccc1 116256861 WZHGSVOEEQEFNW-HSZRJFAPSA-N 354.409 4.017 0 1 FIAF CO[C@@H]1CCC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201111250 LQIBQKJUPJGWMQ-JAVNYVMFSA-N 371.521 4.038 0 1 FIAF S=C(Nc1ccccc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 504314328 KVDDNZXYTULNOJ-QIJZPMMNSA-N 367.562 4.278 0 1 FIAF biogenic CC(=O)c1ccc(-c2cccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)cc1 586881212 UTOHBMMNIWBTLL-UHFFFAOYSA-N 354.413 4.384 0 1 FIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)c(C)nc3[nH]2)cc1 586885917 DMHZPHYBNRHGBK-MEBBXXQBSA-N 360.255 4.174 0 1 FIAF [O-][n+]1ccccc1SCc1nc2ccc(OCc3ccccc3)cc2[nH]1 586970044 SWMVDJICZWTOCE-UHFFFAOYSA-N 363.442 4.068 0 1 FIAF Cc1c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075198 GHPAZRCKFSTTEJ-UHFFFAOYSA-N 370.771 4.215 0 1 FIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587094086 JNHKDDYQTOCGHV-RXMQYKEDSA-N 373.684 4.365 0 1 FIAF Fc1ccc(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)c(F)c1 587147900 CPHXZMVUQYVXFR-RQOWECAXSA-N 354.129 4.308 0 1 FIAF O=C(N[C@@H](c1ccccc1)c1nc2c(Cl)ccnc2[nH]1)c1ccccc1 587221907 WRFIKAZVJGCJGR-INIZCTEOSA-N 362.820 4.131 0 1 FIAF C[C@]1(c2ccncc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333611 KUYDCAQQDZGWEF-TZIWHRDSSA-N 367.351 4.340 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(Cl)cc3)c1)O2 587380048 OQPDWUDXBJZQLQ-SFHVURJKSA-N 353.809 4.123 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(F)(F)F)cc1)O2 587382022 MMLIBYTUIKRQSO-GOSISDBHSA-N 365.351 4.399 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccccc4Cl)c1)[C@@H](C2)C3=O 587417250 AXONNANHQQLEPF-VBKZILBWSA-N 366.804 4.023 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(OC)c(Cl)c1)CC2=O 587461434 KFBQQFACXRTGAT-LJQANCHMSA-N 361.825 4.282 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(OC)OC)c1F)CC2=O 587465122 AWBXWJVESNGRST-GOSISDBHSA-N 374.408 4.482 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(C)=O)c1C)CC2=O 587483576 MZCKJHOBLMKZSO-OAQYLSRUSA-N 355.434 4.373 0 1 FIAF Cc1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n[nH]c12 587591299 CCOKHYIJOCNGOQ-HTAPYJJXSA-N 372.380 4.280 0 1 FIAF Cc1cc2c(o1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617472 PUBYCTJRWASYOP-UGKGYDQZSA-N 362.381 4.487 0 1 FIAF Cc1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587773931 SJRCPFOVNOQXDG-XIKOKIGWSA-N 363.274 4.284 0 1 FIAF Cc1c[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790104 HDAAUUAAVZKFEZ-QGHHPUGFSA-N 351.263 4.331 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccccc32)N1 587833107 FNWZOYIUFMAMLA-BBATYDOGSA-N 362.242 4.149 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(Br)ccn1 587870116 ZRGKZYGQZILVFP-UHFFFAOYSA-N 362.202 4.235 0 1 FIAF Cc1cc(Oc2nccn3cccc23)ccc1-c1c(C)ncc2nccn12 1857566122 PKHJCJGDHMFRAL-UHFFFAOYSA-N 355.401 4.453 0 1 FIAF c1ccc2c(CCn3cnc(-c4cc(-c5cnn[nH]5)ccn4)c3)cccc2c1 1857766459 MSVYMBSJDYYFOX-UHFFFAOYSA-N 366.428 4.126 0 1 FIAF NC(=O)N1c2ccccc2C[C@@H](OC(=O)c2ccccc2)c2ccccc21 3985758 SENYQANOFJWAII-HXUWFJFHSA-N 358.397 4.358 0 1 FIAF CCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 13523781 QGXMSFNQAWXAHE-UHFFFAOYSA-N 366.440 4.154 0 1 FIAF O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CCc1ccccc1)CC3 13532288 UWKQEYUXARXPSA-ODGPQVTHSA-N 361.485 4.334 0 1 FIAF CCCc1c2c(nc(-c3ccccc3)c1C(=O)OCC)CCSC2=O 13794232 YSNBDPJLNZJYOS-UHFFFAOYSA-N 355.459 4.307 0 1 FIAF COc1cc(O)ccc1[C@H]1CC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O1 14762608 CYPWZIVELDBSRC-LJQANCHMSA-N 370.401 4.027 0 1 FIAF biogenic CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COCc2cc(-c3cccs3)on2)C1 20925848 PEAGNNHEHPPKKJ-FOIQADDNSA-N 374.506 4.347 0 1 FIAF C[C@H]1CN(Cc2ccc(F)cc2)CCN1CCCC(=O)c1ccc(F)cc1 26816349 SRZVUZNRRNCUBP-KRWDZBQOSA-N 372.459 4.134 0 1 FIAF COc1ccc(CCC(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)cc1 28653916 BMMSRFZZLSBZRR-HXUWFJFHSA-N 374.912 4.090 0 1 FIAF CCCc1ccc(S(=O)(=O)Nc2cc(OC)cc3ccc(C)nc23)cc1 28871553 XRASCEHGNXXMRO-UHFFFAOYSA-N 370.474 4.305 0 1 FIAF CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccc(C)cc3)C[C@H]1CCc1cc(O)ccc12 38621225 JSEFCPKOHDEAAB-OTUUDDROSA-N 366.501 4.343 0 1 FIAF CNC1=Nc2ncccc2C(c2ccco2)=N[C@@H]1c1sccc1Cl 40402622 KBJGWENMUZDLRV-CQSZACIVSA-N 356.838 4.231 0 1 FIAF Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cccc(Cl)c1C 95566106 JHUUWFXLBGFLGI-UHFFFAOYSA-N 367.880 4.310 0 1 FIAF COc1ccccc1N1CCN(CC[C@H](N=O)c2ccc(C)s2)CC1 169717033 UOWOPOUAGDNXCM-INIZCTEOSA-N 359.495 4.085 0 1 FIAF CCCC[C@@H](O)C1=CC[C@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@H]3C1 194995688 DJYWGBMTZMYDEB-ACESQOTJSA-N 355.522 4.081 0 1 FIAF Cc1c(-c2ccc(C(=N)N)cc2)oc(-c2ccc(C(=N)N)cc2)c1Cl 196125474 VWNZBANSOQOGJN-UHFFFAOYSA-N 352.825 4.144 0 1 FIAF O=S(=O)(Nc1ccc(C(F)(F)F)c2cccnc12)c1ccccc1 205628463 GTQIKFFFOGLBJT-UHFFFAOYSA-N 352.337 4.054 0 1 FIAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1nc2ccccc2s1 215901034 QPVNRYAZHGWTRF-CQSZACIVSA-N 368.458 4.177 0 1 FIAF Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)n[nH]c(=O)c1C 220976343 TUWOXNPAAGERKH-UHFFFAOYSA-N 357.360 4.487 0 1 FIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)cc(C)c2[nH]1 586973039 MLHKJQNLNWBPSA-GOSISDBHSA-N 353.491 4.290 0 1 FIAF Cc1c(Br)cnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc12 587015781 BBFIYIKSXITCOL-SNVBAGLBSA-N 365.256 4.004 0 1 FIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 587038952 CNLMFBPASTVWBD-LBPRGKRZSA-N 362.499 4.238 0 1 FIAF COC(=O)c1cc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2cc1OC 587074461 VNHAQTAFNBDOOF-UHFFFAOYSA-N 370.836 4.482 0 1 FIAF Clc1cnn(COc2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)c1 587081765 FJJLNOXWMQDYHJ-UHFFFAOYSA-N 360.204 4.165 0 1 FIAF Nc1cccc(O)c1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587249772 JHMCAROOMDNTIC-UHFFFAOYSA-N 372.144 4.299 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc(OC(F)F)c(F)c1)O2 587382236 KVUZNXPISFSUOO-LBPRGKRZSA-N 365.351 4.284 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccco1)(c1oc3ccccc3c1N)O2 587390646 PFHGXRZLZGJXPI-QFIPXVFZSA-N 374.396 4.408 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cncc(C(=O)O)c3)cc1)O2 587395809 UEZVBTYSEFUADX-FQEVSTJZSA-N 374.396 4.044 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)([C@H]1CC=C(Br)CC1)[C@@H](C2)C3=O 587416728 DBHLQVVPJJJITB-MIUNTBIASA-N 363.251 4.280 0 1 FIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(Cl)cc12 587498667 FNQYGJZIXKDCOR-FQEVSTJZSA-N 353.805 4.032 0 1 FIAF Cc1cccnc1NC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511703 MZAQYUBXVBKGSC-JOCHJYFZSA-N 364.445 4.022 0 1 FIAF N=c1ncc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587512404 XJNXWXUIGUXLIL-NRFANRHFSA-N 371.440 4.141 0 1 FIAF COc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCO2 587536246 SRFAJMOZRQWPOM-SFHVURJKSA-N 352.386 4.009 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1sccc12 587618583 OTUSIFDYYWCTHM-XLIONFOSSA-N 350.395 4.257 0 1 FIAF CC(C)[C@H]1C[C@@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587833470 NHTLEMZBBWNOJF-JDSLSITLSA-N 356.279 4.153 0 1 FIAF CCOC(=O)[C@@]1(c2ccc3ccccc3c2)NCCc2cc(C)c(F)cc21 962144469 LENFMZYFFAMCEI-QHCPKHFHSA-N 363.432 4.240 0 1 FIAF Cc1cccc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1C 962624953 ARYCFHNSVBCCGJ-NFBKMPQASA-N 360.457 4.040 0 1 FIAF Cc1ccnc2c1CCN[C@]2(C)c1c(N2CCCC2)nc2ccccc2c1C 963078683 YNMDMNYBCKDDHT-XMMPIXPASA-N 372.516 4.256 0 1 FIAF C[C@H]1C[C@]2(NCCc3c(C(=O)O)cccc32)c2cccc(Br)c21 963125295 SRXAKRGLSLRTIG-JEOXALJRSA-N 372.262 4.044 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]21CC(=O)C[C@@H](c2ccccc2)C1 963270895 RVOPLYJZZOOTPH-QVKFZJNVSA-N 355.865 4.226 0 1 FIAF Cc1c(O)ccc2c1[C@]1(CC[C@@H](c3cccc(Cl)c3)C1)N[C@H](C(=O)O)C2 963521122 APMMOYXJWXIYPN-LDBYXDLTSA-N 371.864 4.116 0 1 FIAF COc1ccc(Cc2coc3cc(OCC=C(C)C)cc(O)c3c2=O)cc1 1772579472 VIMBUUIUBAUQOP-UHFFFAOYSA-N 366.413 4.443 0 1 FIAF COc1cc(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3n2)cc(OC)c1OC 1772624943 HNMRIPWPQMCJST-CVEARBPZSA-N 363.413 4.247 0 1 FIAF Cc1cc(F)ccc1-c1cccn2nc(Nc3ccc4c(cnn4C)c3)nc12 1857637539 JOBYUGHYDPKIRF-UHFFFAOYSA-N 372.407 4.474 0 1 FIAF N=[S@](=O)(O)c1ccc(-c2ccc3nccc(-c4ccncc4)c3n2)cc1 1857638052 HHRNHYTWNQHBRJ-UHFFFAOYSA-N 362.414 4.237 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H](C)CC2 1857760132 YJNFXKFOYBRVEF-LRTDBIEQSA-N 372.461 4.444 0 1 FIAF CC(C)[C@H](N)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 61906917 XUOBSTOOBIMRES-LBPRGKRZSA-N 358.389 4.462 0 3 FIAF CCCC[C@@H]1C(=O)N2N=Cc3cscc3[C@H]2N2N=Cc3cscc3[C@@H]12 203465143 LARFHFGFDFNGGF-XKQJLSEDSA-N 370.503 4.195 0 3 FIAF CCCCOc1c(CCC)cc(Cc2cnc(N)nc2N)cc1CCC 27107711 OXRGQGLRPYROQW-UHFFFAOYSA-N 356.514 4.316 0 1 FIAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2cnco2)c1 113769457 YJSNPJUURMHPEI-HNNXBMFYSA-N 350.418 4.082 0 1 FIAF COc1cc(-c2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O 28567553 NKEIONFKLOJYDY-UHFFFAOYSA-N 359.385 4.441 0 1 FIAF CCCOc1ccc(C=C[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 2356700358 JFPQRIXQJCKOPU-HSZRJFAPSA-N 362.473 4.113 0 1 FIAF O[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)C[C@H]1NCc1ccccc1 36271489 KVFPFYVUWUNGRU-TZRRMPRUSA-N 373.496 4.127 0 1 FIAF O=C(O)[C@H](Cc1ccccc1)Nc1nc(-c2ccccc2)nc2ccccc12 40835304 ZKEGINGNYZLWBY-FQEVSTJZSA-N 369.424 4.405 0 1 FIAF CCC(CC)c1nc2c(NCc3ccccc3C)ncnc2n1CCOC 82180495 USOUTHAWWBDRGF-UHFFFAOYSA-N 367.497 4.297 0 1 FIAF O=C(O)c1ccc2c(c1)[C@@H]1CCN[C@@H](Cc3cccc4ccccc34)[C@@H]1N2 40461362 FPRFIUYLFZQUHW-YUXAGFNASA-N 358.441 4.020 0 1 FIAF COc1ccc(C[C@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc1OC 238733084 HZLWUWRGPZGQLG-FTTOULMASA-N 370.445 4.387 0 1 FIAF Cc1ccc(CNC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 95601402 ODVMEZPVZVBHFI-UHFFFAOYSA-N 364.449 4.165 0 1 FIAF Brc1cc(/C=C/c2nc3ccccc3[nH]2)cc2c1OCCO2 586999843 CNLOBUDRSPYLPC-AATRIKPKSA-N 357.207 4.267 0 1 FIAF O=C1C[C@@H](c2ccc(N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 587519285 XTZKXUYYWFPKSM-QFIPXVFZSA-N 363.457 4.109 0 1 FIAF CC(=O)c1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587816218 VKRDXEXTIPKALQ-YPMLDQLKSA-N 362.242 4.414 0 1 FIAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C)c1C 587753729 WPCGJOZDOZSPKI-DYBLOJMWSA-N 365.290 4.476 0 1 FIAF COC(=O)c1cc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2cn1 587012921 NRZRCKWKGZUFKE-UHFFFAOYSA-N 364.430 4.152 0 1 FIAF O=Cc1ccc(OCc2occc2-c2nc3cncc(Cl)c3[nH]2)cc1 586900452 KCPSRXACNHZQMW-UHFFFAOYSA-N 353.765 4.263 0 1 FIAF CCC(=O)CC[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814200 RURDVLHLTHFVLU-APPDUMDISA-N 356.279 4.487 0 1 FIAF CC(=O)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604798 YSHWXRHWXABIFT-KNQAVFIVSA-N 360.365 4.298 0 1 FIAF Cc1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1C 587118531 OCKCWNKJVJDAAG-UHFFFAOYSA-N 361.327 4.098 0 1 FIAF Cc1cc(Br)ccc1OCc1nc2ccc(F)c(F)c2[nH]1 586982053 ZEFYONQIHVCJFH-UHFFFAOYSA-N 353.166 4.491 0 1 FIAF COc1cc2c3c(c1)O[C@](C)([C@H](C)c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587444012 RWCALHPVHJPJFI-CKRFGLGXSA-N 368.429 4.022 0 1 FIAF Cc1nccc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587802181 KPJNVQJSKOQWDG-NIVTXAMTSA-N 374.257 4.397 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccc(F)cc4)cs1)[C@@H](C2)C3=O 587426551 DKMBXUFABOYIPJ-LIRRHRJNSA-N 367.401 4.447 0 1 FIAF CCC(C)(C)c1ccc(OCc2nc3cc(C(=O)OC)ncc3[nH]2)cc1 587565746 RWWWPQYXFFNCKQ-UHFFFAOYSA-N 353.422 4.011 0 1 FIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587937888 QVOQBSMXSXSUFX-QFYYESIMSA-N 350.340 4.427 0 1 FIAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(Br)nc3[nH]2)c1F 587151772 IRBKEHLHPIYJAR-DTWKUNHWSA-N 350.166 4.270 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(C(C)(C)C)N1 587742161 QGKBDIHCBUSTDD-MKFXAQQXSA-N 369.322 4.439 0 1 FIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cccc(F)c4[nH]3)c2)c1 587232136 KZACVILGJXIODE-UHFFFAOYSA-N 359.404 4.319 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1N(C)C)CC2=O 587461483 MUOYBYDBRZKFOB-MRXNPFEDSA-N 360.841 4.166 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(Cl)o1)O2 587376097 GZCYRTARTLACQX-LBPRGKRZSA-N 356.603 4.293 0 1 FIAF FC(F)(F)c1nn(Cc2nc3ccc(Cl)cc3[nH]2)c2c1CCCC2 587120293 WMJJLYASQFGZJH-UHFFFAOYSA-N 354.763 4.359 0 1 FIAF C[C@@H]1C[C@@H]([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)CCO1 962949871 DAQDYRBUERZDIN-GLJUWKHASA-N 369.427 4.213 0 1 FIAF O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3ccccc3F)cc2F)CCC1 13534079 VECFXAQXMBOVIW-UHFFFAOYSA-N 361.319 4.275 0 1 FIAF O=c1c2cnc3ccc(OCc4ccccc4)cc3c2[nH]n1-c1ccccc1 13740701 PBEGQHTWHYWCLN-UHFFFAOYSA-N 367.408 4.446 0 1 FIAF O=C(NCCc1c[nH]c2ccc(O)cc12)Oc1cccc(C(F)(F)F)c1 14979775 LXJJMPXQEWHJAM-UHFFFAOYSA-N 364.323 4.223 0 1 FIAF CC[C@](C)(O)CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 169332219 TWFSWDWKVQOONY-LGKPFJOYSA-N 357.538 4.248 0 1 FIAF FCc1cccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)c1 220706466 AQCFYNGHCRDYNO-SFHVURJKSA-N 368.481 4.410 0 1 FIAF c1cc(Nc2nccc(-c3cccs3)n2)cc(OCCn2ccnc2)c1 598328 LMUUYPFNADZBFI-UHFFFAOYSA-N 363.446 4.224 0 1 FIAF C[C@H](C(=O)O)[C@H]1Sc2ccccc2N(Cc2cccc(Cl)c2)C1=O 3050282 OCPWXJIVNZLDPI-MEDUHNTESA-N 361.850 4.068 0 1 FIAF CN(C)CCCCN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 3806137 JMLZYVMMUDKHMM-HXUWFJFHSA-N 372.940 4.377 0 1 FIAF COc1ccc2cc3cc(C(=O)NCCCOC(C)C)sc3nc2c1 4899935 DHKLKDRLPUWWCG-UHFFFAOYSA-N 358.463 4.003 0 1 FIAF COc1ccc(C2=NN=C3C(c4ccccc4)=Nc4ccccc4N3C2)cc1 5596430 XWXFVNNUHYTIOG-UHFFFAOYSA-N 366.424 4.452 0 1 FIAF COc1ccccc1-c1cccn([C@@H](CN2CCCC2)c2ccccc2)c1=O 13436617 ARSREBXKSOCHHV-QFIPXVFZSA-N 374.484 4.209 0 1 FIAF O=S(=O)(c1ccccc1)C1(CCN2CC[C@H](c3ccccc3)C2)CCC1 28571009 XFZMDEYTXRAASF-FQEVSTJZSA-N 369.530 4.263 0 1 FIAF CCCNc1cc(-n2c3c(c4ccccc42)C(=O)CCC3)ccc1C(N)=O 29047454 YTQMWKXSDFIJSW-UHFFFAOYSA-N 361.445 4.070 0 1 FIAF CCN1CCC[C@@H](n2cc(S(=O)(=O)c3ccccc3)c3ccccc32)C1 34065808 JWXKHYYJTARSOV-QGZVFWFLSA-N 368.502 4.131 0 1 FIAF C=C(C)[C@@H]1C[C@@]23C(=O)[C@@](C)(C[C@@H]2C1(C)C)C(=O)C(C(=O)[C@H](C)CC)=C3O 38930924 TZUMPSGMPXZTHQ-MXPAWICGSA-N 358.478 4.200 0 1 FIAF biogenic COc1ccc2oc(CSC(=S)N(C(C)C)C(C)C)cc(=O)c2c1 43020794 NEKVVHIHLGWXGI-UHFFFAOYSA-N 365.520 4.439 0 1 FIAF CC1=NN([C@@H]2C[C@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)C(=O)C1 64274776 SQRHLGYXTXOMII-GHMZBOCLSA-N 365.277 4.101 0 1 FIAF C=CC1=C(C(=O)NCc2ccc(Cl)cc2)[C@@H](c2ccc(OC)cc2)OC1 73219505 ZCFAGVWGFLIFBP-HXUWFJFHSA-N 369.848 4.219 0 1 FIAF CCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O 101258676 FCMQKSBNKZGDCZ-ICSZRNELSA-N 357.494 4.272 0 1 FIAF O[C@H]1CC[C@H](Nc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)CC1 101706768 RDKWMHIZIUBHBT-KDURUIRLSA-N 358.445 4.265 0 1 FIAF C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1C(=O)NCc1ccccc1 143472862 PULWYSDHOXHDQV-VGOFRKELSA-N 370.452 4.261 0 1 FIAF CC(=O)N1C[C@@]2(CCN(Cc3ccc(Cl)cc3)C2)Cc2ccccc21 299852279 PSXCBGMLQDGPKY-NRFANRHFSA-N 354.881 4.141 0 1 FIAF CC(C)(C)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587009066 UILFLYJXCFNNPT-UHFFFAOYSA-N 370.254 4.333 0 1 FIAF CC[C@H](C)n1cc(Cl)c(-c2nc3ncc(Br)cc3[nH]2)n1 587079557 JFWCGWBFRNZZFY-ZETCQYMHSA-N 354.639 4.208 0 1 FIAF COC(=O)c1cc2[nH]c(-c3cc(Cl)nc4ccccc34)nc2cc1OC 587084502 BFWGSWSGZIXRFM-UHFFFAOYSA-N 367.792 4.227 0 1 FIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)c(F)cc2[nH]1 587089058 WYKSURXDQBSGIQ-ZETCQYMHSA-N 360.177 4.214 0 1 FIAF Fc1cc(-c2nc3cccc(Br)c3[nH]2)cc(N2CCCC2)n1 587177549 MMIRBJIPWRMBJJ-UHFFFAOYSA-N 361.218 4.127 0 1 FIAF COC[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353647 ZQVUODHHJAADBW-RBBKRZOGSA-N 370.420 4.466 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCc4c(C(F)(F)F)cccc41)[C@@H](C2)C3=O 587421422 KSFGAQQAZGOLCN-KXBFYZLASA-N 360.331 4.303 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCC(C)C)c1)[C@@H](C2)C3=O 587440689 HRFGVOHZVCARSI-KSFYIVLOSA-N 368.429 4.227 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc4cc(OC)ccc4s1)[C@@H](C2)C3=O 587454171 VMOVGUCZUGKASI-XOBRGWDASA-N 352.411 4.407 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OC)c1C)CC2=O 587478891 KRMSHSOAZYBBNI-IBGZPJMESA-N 356.418 4.377 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC(C)=O 587522096 DXMSTYWPYYDEET-FQEVSTJZSA-N 366.413 4.206 0 1 FIAF C[C@@]1(c2ccc3[nH]c(=N)sc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587537605 INRGXHLAPZTRRF-NRFANRHFSA-N 364.470 4.468 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cnc1F 587571975 SWELLPJJCPHDOY-QAPCUYQASA-N 371.751 4.283 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2N)N1 587702563 ZZMXQKPZOZIGBG-VPTHRUTESA-N 369.665 4.447 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CF)n2)N1 587721093 VNMRGTVVVTWTSA-XXFAHNHDSA-N 353.210 4.076 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(C(C)(C)C)N1 587742156 QGKBDIHCBUSTDD-IBYYOGEZSA-N 369.322 4.439 0 1 FIAF CC(C)c1nccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587773808 JTVAALSJHOZRFZ-HWPZZCPQSA-N 364.262 4.125 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(O)ccc32)N1 587831572 ICJDMNSXWNLJFQ-MLCYQJTMSA-N 362.242 4.018 0 1 FIAF Cc1cc2c(n1NCc1ccccc1Br)CC(C)(C)CC2=O 587939445 DDFQRVVPQIPMQU-UHFFFAOYSA-N 361.283 4.458 0 1 FIAF CCOC(=O)[C@H](CC)Cc1ccc(C(=O)NCc2ccccc2Cl)cc1 653793241 NPOMDQNTYQQTNG-MRXNPFEDSA-N 373.880 4.402 0 1 FIAF O=C(O)c1cc2ncc(Cl)cc2n1Cc1ccc(C(F)(F)F)cc1 653914359 HFVXRVDWIOTTNL-UHFFFAOYSA-N 354.715 4.455 0 1 FIAF COCC[C@@]1(c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962717861 RBTQLNCRNJRBRL-PGRDOPGGSA-N 371.521 4.469 0 1 FIAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(CCCC23CCCC3)N1 962723114 YJTVMGWKVCQWFE-QAPCUYQASA-N 371.374 4.383 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(C)n(CCOC)c2C)N1 962943277 GMOAHEHSGMSFHM-HRAATJIYSA-N 351.494 4.246 0 1 FIAF Cc1sc2c(c1C)CCN[C@]2(c1ccccc1C(=O)O)C(F)(F)F 963034368 YREZRNJCFWGDMW-INIZCTEOSA-N 355.381 4.015 0 1 FIAF CC1(C)[C@@H](N(Cc2ccco2)Cc2ccco2)C[C@@H]1Cc1cc(CO)on1 2356305598 PHYKURYVKVSCAV-YWZLYKJASA-N 370.449 4.013 0 1 FIAF COc1cccc([C@@](C)(O)c2nc(-c3ccc(N(C)C)cc3)cs2)c1 61905676 PKFVENGYFWNNRQ-HXUWFJFHSA-N 354.475 4.141 0 3 FIAF NC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1C[C@H]1c1ccccc1 695922 JJUMZLXRSYTOKT-HOTGVXAUSA-N 362.454 4.256 0 1 FIAF COc1c(C(=O)C[C@@H](OC)c2ccc3c(c2)OCO3)ccc2occc12 14677189 RANWLOKZQCJYQF-GOSISDBHSA-N 354.358 4.131 0 1 FIAF biogenic Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1 34136428 GWMATETWMAQOFL-UHFFFAOYSA-N 359.389 4.424 0 1 FIAF O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)COc1ccccc12 34807345 SUXKVYXAHASVFV-UHFFFAOYSA-N 366.848 4.388 0 1 FIAF CNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)c1nc(C(C)(C)C)cs1 37437396 VKBSSYVTNIHZBW-LLVKDONJSA-N 351.903 4.367 0 1 FIAF CCOC(=O)c1c(OC2CCC(C)CC2)cc(Cc2ccccc2)[nH]c1=O 95588391 UWXKSCIDDQISIK-UHFFFAOYSA-N 369.461 4.100 0 1 FIAF CCCCC[C@H](O)/C=C\[C@H]1[C@H]2CC(CCCCC(=O)O)=C[C@H]2C[C@H]1O 143132367 JANVYOZZTKSZGN-XBLJRUQUSA-N 350.499 4.072 0 1 FIAF in-vitro CC(C)(C)OC(=O)Nc1nc2ccc(C(=O)Nc3ccncc3)cc2s1 169340534 GQWNXDHBPZJSML-UHFFFAOYSA-N 370.434 4.291 0 1 FIAF C/C=C(/C)C(=O)OC/C=C\c1ccc(OC(=O)/C(C)=C\C)c(OC)c1OC 238741518 AVUQXTCTNLQPOU-NGUAXFINSA-N 374.433 4.098 0 1 FIAF COc1cc(-c2ccccc2C)cc2c1OCCN(Cc1cccnc1)C2 473129049 FEPFEAVHCFDEQT-UHFFFAOYSA-N 360.457 4.460 0 1 FIAF Oc1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc2c1CCCC2 586898283 OBSYQQCJQJQWGL-UHFFFAOYSA-N 368.746 4.228 0 1 FIAF CCCCOc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Br 586917980 VOEDOFOYSPRKOJ-UHFFFAOYSA-N 365.271 4.398 0 1 FIAF COc1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)c(Cl)n1 587088439 WEURRJBAJFHEMA-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2cccc(Cl)c2[nH]1)C(F)(F)F 587092405 MCCGSLRMMWZMNV-INIZCTEOSA-N 369.774 4.380 0 1 FIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2c(F)cnc(Br)c2[nH]1 587196850 YWAVMJZPSWWHBE-SECBINFHSA-N 363.234 4.077 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCC(C)(C(=O)OCC)CC1)CC2=O 587482599 PJBYNVOSOQHRJU-UHFFFAOYSA-N 360.450 4.192 0 1 FIAF COc1ccc(OC)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525560 PXHPTTZHTVBOPT-JOCHJYFZSA-N 352.430 4.463 0 1 FIAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(C)c1C 587575572 FYCIUMKYQOXKNR-DENIHFKCSA-N 363.413 4.359 0 1 FIAF CC[C@@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581292 VQVQYQQKVRKFGB-UGKGYDQZSA-N 361.397 4.242 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2cccnc2c1 587586943 MCXKZCNLPZXOGB-DENIHFKCSA-N 370.364 4.038 0 1 FIAF C[C@]1(c2c[nH]c3cnccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590289 SEWNTDQCZHZMSV-SIKLNZKXSA-N 372.380 4.146 0 1 FIAF COc1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600633 OSNKQZQWFCGHPT-NZQKXSOJSA-N 374.392 4.204 0 1 FIAF COc1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601259 RSSKYZKHUDKABT-NFBKMPQASA-N 374.392 4.204 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(C)c3ccccc23)N1 587768039 ZNQKCKJUBUVNSD-BMLIUANNSA-N 374.257 4.099 0 1 FIAF CCOc1ccncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587775000 PGMJPZKLQXLBAG-QGHHPUGFSA-N 365.246 4.006 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3o2)N1 587779745 VPKJMUZGQRHKPU-JDNHERCYSA-N 361.214 4.353 0 1 FIAF O=C1c2ccc(-c3cn[nH]c3)cc2-c2[nH]c3cc(-c4cn[nH]c4)ccc3c21 653875541 RTKZTWRBYYKZPS-UHFFFAOYSA-N 351.369 4.160 0 1 FIAF NC(=O)N1CCc2sccc2C12c1ccccc1Sc1ccccc12 962708066 KAVWIXSILLFPPV-UHFFFAOYSA-N 364.495 4.441 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCC[C@@H]1c1ccccc1Cl)NCC2 962927605 WNSTXRQCDRERIY-GCJKJVERSA-N 368.908 4.351 0 1 FIAF COc1cccc(Cl)c1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772576335 LJPIFITZRKADSH-AWEZNQCLSA-N 372.808 4.314 0 1 FIAF COc1cc(C)cc(OC)c1-c1cccc([C@@H](CC(=O)O)c2ncco2)c1 1772645381 XKJDZDMBRSOMRJ-MRXNPFEDSA-N 367.401 4.274 0 1 FIAF Cn1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc2cc(F)c(Cl)cc21 1857772490 FTLMJUYSRCLXAB-UHFFFAOYSA-N 365.880 4.010 0 1 FIAF CC=Cc1ccc(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 2356424012 NUDWCJJMQATDKB-SZNDQCEHSA-N 358.434 4.246 0 1 FIAF O=C(O)C[C@@H]1CCN(CC2CCCCC2)C[C@H]1Cc1nc2ccccc2[nH]1 2356552816 DFAVYTIGQMODOU-ZWKOTPCHSA-N 369.509 4.099 0 1 FIAF O=C1N(c2cccc(F)c2)CC[C@@]12CCN(Cc1cccc(Cl)c1)C2 2382246437 ZWROPRAKOSXHJW-HXUWFJFHSA-N 358.844 4.108 0 1 FIAF Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N1CCCC1 4077007 GWNAZDWZWCHGQC-UHFFFAOYSA-N 350.871 4.159 0 3 FIAF CC[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N12 36386168 SBUXRMKDJWEXRL-ZWKOTPCHSA-N 363.392 4.152 0 3 FIAF biogenic CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(C(=O)O)c1 949068 DWGVYYCRFPJJQG-UHFFFAOYSA-N 364.401 4.470 0 1 FIAF OC[C@@H]1O[C@H](c2ccccc2)C=C[C@H]1Oc1cc(Cl)cc(Cl)c1 7992160 ULBNKSMBQPHNIA-KSZLIROESA-N 351.229 4.429 0 1 FIAF Cc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)cc(C)n1 26575513 OZRQLIIXACDECV-UHFFFAOYSA-N 368.408 4.273 0 1 FIAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2cccs2)O[C@@H]1c1cccnc1 27751244 TZGFTCJPPBRFFT-UJRAZXPYSA-N 359.447 4.357 0 1 FIAF CSc1ccc(CN2CC[C@]2(C)C(=O)Nc2ccc(C)c(O)c2)cc1 61926560 KBWQMMQXSWEXBU-HXUWFJFHSA-N 356.491 4.026 0 3 FIAF COc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(OC)c4)n3c2)cc1 61907412 LJOILEUDWSLOOQ-UHFFFAOYSA-N 373.412 4.254 0 3 FIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4C=C(O)C=C[C@]4(C)[C@H]3CC[C@]12C 36188909 ZFZLLLFBWBJQJN-QBDGDHAASA-N 370.537 4.386 0 1 FIAF Cc1nc2cccc(-c3cc(C(N)=O)c(C4CC4)[nH]3)c2nc1NC(C)(C)C 222339049 YHEKLPCGOWOJKE-UHFFFAOYSA-N 363.465 4.120 0 1 FIAF CS(=O)(=O)c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)[nH]1 40639838 OIAVESAJSWVMNW-UHFFFAOYSA-N 367.257 4.454 0 1 FIAF NC(=O)c1sc2nc(CC3CCCCC3)cc(-c3ccco3)c2c1N 49066475 LXLJXSRRBGCWEF-UHFFFAOYSA-N 355.463 4.360 0 1 FIAF CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccccc2N)C1 145904707 HKHOXKLGGSDMQO-YUVXSKOASA-N 357.494 4.338 0 1 FIAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=S)OC[C@]4(C)[C@H]3CC[C@]12C 253663967 JIAXPKPFEUBJEA-CAIBBVBQSA-N 365.583 4.089 0 1 FIAF O=C1c2ccccc2C(=O)N1CCCCCCCNCc1ccccc1 299854599 AFZKLKOFXUIXAC-UHFFFAOYSA-N 350.462 4.023 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3n2)N1 587799317 XXSGTRFZTOUMNE-BTDLBPIBSA-N 372.241 4.155 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ncoc1C(C)(C)C 587872497 YSCMHVDXOGDKHC-UHFFFAOYSA-N 357.385 4.062 0 1 FIAF Cc1cc(F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587381373 IHNVZWPHHYQQIC-HNNXBMFYSA-N 364.214 4.494 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2N)N1 587729512 VRWWEZFMIIQUPH-HUTHGQBESA-N 367.237 4.107 0 1 FIAF COc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Cl 587071260 YMEDFYUZDUGJER-NSHDSACASA-N 350.249 4.163 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(CC)cc(OC)c1O)CC2=O 587480916 PXVJVPUOWWBGOE-GOSISDBHSA-N 356.418 4.328 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(F)(F)F)[C@@H](C2)C3=O 587420856 MJUMUTLXVSTKHJ-SCLBCKFNSA-N 364.319 4.125 0 1 FIAF COC(=O)C[C@@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587098774 UEQITXWVZHUTMJ-ZDUSSCGKSA-N 357.409 4.033 0 1 FIAF COC(=O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1OC 586898346 HNMAFXGMEUOUGE-UHFFFAOYSA-N 374.396 4.398 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(N)c(F)c1F)CC2=O 587465979 KRQHXMJZDZAJIY-IBGZPJMESA-N 365.351 4.225 0 1 FIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Cl)ncc3[nH]2)c1 587240550 KIQKAFWCNMVNIP-UHFFFAOYSA-N 360.801 4.331 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1NCC2 587597914 WSLDQDJYPZRJNR-PGRDOPGGSA-N 359.381 4.063 0 1 FIAF COc1ccc([C@H]2NCCc3c(C(=O)O)cccc32)cc1OCCC(C)C 963133717 RZVXRMWENKYLCC-OAQYLSRUSA-N 369.461 4.053 0 1 FIAF Cc1c(F)ccc2c1[C@@H](c1ccc(CNC(=O)OC(C)(C)C)cc1)NCC2 962095795 XJCKNQXJRMPVNY-HXUWFJFHSA-N 370.468 4.394 0 1 FIAF Clc1cccc2c1[C@@H](c1cc(Br)c3c(c1)CCO3)NCC2 963390852 NPAPFCJOAPIPGD-MRXNPFEDSA-N 364.670 4.273 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(Br)c(F)c1 963259946 VFFNRMXFSVQEHS-MRXNPFEDSA-N 370.649 4.485 0 1 FIAF O=C(Nc1ccc(-c2ccccc2)cn1)c1nccnc1-c1ccccc1 1772573868 PIDDTQXLTPMUGJ-UHFFFAOYSA-N 352.397 4.458 0 1 FIAF N[C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F 14950359 PPEROMZIWASUGT-VGSWGCGISA-N 372.434 4.293 0 1 FIAF CCCCC[C@](C)(O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCSCC(=O)O 169338000 AFOVXUJBAZEFLD-QYVDCROJSA-N 356.528 4.067 0 1 FIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccc(Cl)c1Cl 169369283 QJUURDMOAUOHOG-PPNYGHQGSA-N 352.261 4.033 0 1 FIAF O=C1CN(C(=O)C2CCCC2)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 2456584 REGJOHRDCDVNGP-FQEVSTJZSA-N 368.864 4.400 0 1 FIAF COc1ccc(-c2nc(CSCC(=O)NC3CCCCC3)c(C)o2)cc1 6772223 GCECBNVMGVBTSO-UHFFFAOYSA-N 374.506 4.341 0 1 FIAF CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)OC(C)(C)C)c1ccccc1-2 13735046 OWPYBQYXSTWGOY-UHFFFAOYSA-N 371.437 4.083 0 1 FIAF Fc1ccc(N2CCN(CCCOc3cc4c(cc3F)CCC4)CC2)cc1 26501614 HGPFEWCCMSJDLD-UHFFFAOYSA-N 372.459 4.045 0 1 FIAF C[C@@H](CN1CC[C@@]2(C)C[C@@H]1Cc1c(O)cccc12)OCc1ccccc1 27207124 OQHMIQWXKSUMDL-LTMIRXACSA-N 351.490 4.276 0 1 FIAF O=c1c(-c2ccc(OC(F)F)cc2)coc2cc(OC(F)F)cc(O)c12 28979965 GBBGFSLJRAUBFH-UHFFFAOYSA-N 370.254 4.368 0 1 FIAF Cc1ccccc1-c1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 40378981 PJDRLNCSGGPVJE-UHFFFAOYSA-N 352.397 4.009 0 1 FIAF Fc1ccc2[nH]cc(CCN3CCC(CNCc4ccccc4)CC3)c2c1 45302865 YQSAYYUPOQABSY-UHFFFAOYSA-N 365.496 4.351 0 1 FIAF CCCc1cc(OC)c(C[C@H]2c3cccc(O)c3CCN2C)cc1OC 45303248 PVSGEYHXHISQCW-IBGZPJMESA-N 355.478 4.134 0 1 FIAF COC(=O)C1CCN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)CC1 72182931 VXVLKFXYXKBBKH-UHFFFAOYSA-N 369.248 4.033 0 1 FIAF CC(C)[C@@H](CO)Nc1nccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12 74386714 ABJXCQFNFXKWIF-CQSZACIVSA-N 364.371 4.073 0 1 FIAF O=C(CC[C@@H]1CCC(=O)[C@H]1CCCCCCCO)COc1ccccc1 95564788 CQGDJYVHVNYIMQ-NQIIRXRSSA-N 360.494 4.343 0 1 FIAF in-man CCOc1ccccc1-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)no1 96911091 CEFOLKGBJRLMBK-UHFFFAOYSA-N 366.461 4.439 0 1 FIAF Nc1ccccc1NC(=O)/C=C/c1ccc(OC(F)F)c(OC(F)F)c1 103250082 OHUYOUVOSZXOJD-SOFGYWHQSA-N 370.302 4.124 0 1 FIAF C[C@@H](Sc1nnc2c(n1)[C@@]1(C)CC[C@@H]2C1(C)C)C(=O)Nc1ccccc1 136315127 UYHGCPBBCRVDCH-TUXXCZFBSA-N 368.506 4.166 0 1 FIAF COCCNc1ccnc2c(-c3ccccc3Oc3ccccc3)cnn12 141329865 DUFUKKVMLABVKT-UHFFFAOYSA-N 360.417 4.247 0 1 FIAF CCCC[C@H](OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)O[N+](=O)[O-] 148046016 UGYONNQOZBVPDP-SCLBCKFNSA-N 361.394 4.220 0 1 FIAF COC(=O)[C@H]1C[C@]23C4=C(CC[C@H]41)CC[C@@H]1CN[C@H]2[C@@H](C(C)C)CC[C@@]13C 238780861 ASJBAMFLUNNOSV-TZFYIYKDSA-N 357.538 4.326 0 1 FIAF COC(=O)[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587098759 UBNHTLZMDGLPQJ-CYBMUJFWSA-N 357.409 4.033 0 1 FIAF CCOC(=O)C(F)(F)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103095 BGUJDSHIKLIOBP-UHFFFAOYSA-N 353.324 4.101 0 1 FIAF Cc1c(Cl)ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587131735 BUHLEXGXWQEVKB-JTQLQIEISA-N 371.815 4.494 0 1 FIAF Fc1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183697 GYTUIZDOIGPWLY-BQYQJAHWSA-N 364.161 4.477 0 1 FIAF CCN(CC)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337308 NVHBZSPSAIFGFD-IFMALSPDSA-N 371.452 4.381 0 1 FIAF CCCOc1c(OCC)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443692 XEZDVUWDYOJYCY-IIBYNOLFSA-N 368.429 4.371 0 1 FIAF O=C1C[C@@]2(CCOc3c(F)cc(F)cc32)Oc2c1ccc1c2CCCC1 587506655 LFHSSODRIBPJGJ-OAQYLSRUSA-N 356.368 4.487 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccnc2Cl)N1 587714827 BRYDGFYHMAPPGD-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF CC(C)n1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587765230 RWQDJEOBWUHRDG-PIGZYNQJSA-N 366.278 4.163 0 1 FIAF Cc1ccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc2c1 587772174 DTZWBXGARMGNSG-ADLMAVQZSA-N 374.257 4.168 0 1 FIAF CCO[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587812501 QWOLQYUQEFQKFY-ZLENFMNRSA-N 356.279 4.297 0 1 FIAF CC(C)[C@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587817139 IWNRLNRMZFVOJS-YNKQFZHNSA-N 368.290 4.343 0 1 FIAF CCCNC(=S)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587866226 GYFSJUAYPZWCNZ-UHFFFAOYSA-N 357.401 4.100 0 1 FIAF Cc1noc(C)c1-c1ccnc(COc2ccc(CCC(=O)O)c(F)c2)c1 653848661 CASZWEXKOQJTRK-UHFFFAOYSA-N 370.380 4.089 0 1 FIAF Fc1cccc2c1[C@@H](c1cccnc1OCC(F)(F)F)N1CCC[C@H]1C2 963095093 CGAMAZJKQUWBNP-SUMWQHHRSA-N 366.358 4.272 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c(-n2ccnc2)nc2ccccn12 963232302 RHXVCGRQQAQLKN-UWJYYQICSA-N 371.488 4.266 0 1 FIAF COc1ccc(C)cc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772630933 ILTDDEYZRIXKAD-KRWDZBQOSA-N 355.365 4.404 0 1 FIAF CCN(CC)CC(=O)Nc1ccc(Oc2cc(O)nc3ccccc23)cc1 2382220190 KBXHPSABVJZYET-UHFFFAOYSA-N 365.433 4.013 0 1 FIAF O=C(Cc1c(-c2ccccc2)nc2c(Cl)cc(Cl)cn12)N1CCCC1 13607367 QXIHVESBDSAWSK-UHFFFAOYSA-N 374.271 4.473 0 1 FIAF COc1ccc(Cn2cnc3c(-c4ccco4)nc(Cl)nc32)cc1C 28477425 PUGOHCVWGKOEQJ-UHFFFAOYSA-N 354.797 4.105 0 1 FIAF O=C(Nc1ccc2c(c1)CN(Cc1ccon1)CC2)c1ccccc1Cl 39455685 XBZIJNVPYMUAPU-UHFFFAOYSA-N 367.836 4.139 0 1 FIAF FC(F)(F)c1ccc(SC[C@H](c2c[nH]cn2)C2CCNCC2)cc1 64564987 HGLGWLWXYRAXPK-HNNXBMFYSA-N 355.429 4.304 0 1 FIAF Cc1nc2sc(C(=O)N[C@H](C)c3ccccn3)c(N)c2c(C)c1Cl 95598214 XPUAFVVATUXMLI-SECBINFHSA-N 360.870 4.035 0 1 FIAF N[C@H]1CC[C@H](Nc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)CC1 101706764 NQGMOQOKDFPUAO-KDURUIRLSA-N 357.461 4.231 0 1 FIAF CCC(=O)C[C@H]1c2ccccc2N=C(n2ccnc2)N1c1ccc(F)cc1 103176609 KMIYBIZAONFAOE-FQEVSTJZSA-N 362.408 4.489 0 1 FIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cc2ccccc2[nH]1 167482002 AQMKUCYHSZPXMA-KDOFPFPSSA-N 364.445 4.295 0 1 FIAF COc1ccc(-n2cnc3c(-c4ccccc4OC)csc3c2=O)cc1 221149656 OJEGVCLQWSCVRF-UHFFFAOYSA-N 364.426 4.131 0 1 FIAF COc1cc(O)cc(CCc2ccccc2O)c1Cc1ccc(O)cc1 238787914 RSNSWDOUDHQRNM-UHFFFAOYSA-N 350.414 4.188 0 1 FIAF O=C(O)CCCCCC[C@@H]1C(=O)CC[C@@H]1/C=C/[C@H](O)COc1ccccc1 261146327 NZGFSDWJUZOAAX-NEVMFUSOSA-N 374.477 4.003 0 1 FIAF in-vitro CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccco2)n1 299876710 GDSMGVSROVZFDH-YCPHGPKFSA-N 356.470 4.256 0 1 FIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2n1 586880584 OMGYYEZLTKGAOC-UHFFFAOYSA-N 371.396 4.281 0 1 FIAF O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586900488 CPYQREQPOVXWEE-RXVVDRJESA-N 354.409 4.363 0 1 FIAF Cc1ncc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(C)c1Br 586978879 AVHRJPWTZVYHIM-UHFFFAOYSA-N 374.238 4.166 0 1 FIAF COc1cc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ncn1 587097545 QTWZXNIOXORPIE-UHFFFAOYSA-N 367.408 4.144 0 1 FIAF Cc1ccc2c(ccc3nc(-c4c(Cl)c(C(F)(F)F)nn4C)[nH]c32)n1 587116971 NXHXVOTYSKNZBT-UHFFFAOYSA-N 365.746 4.492 0 1 FIAF CC(=O)c1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c1 587147955 VRYSGDGDIXQSOE-UHFFFAOYSA-N 352.344 4.111 0 1 FIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587163282 KBYQYFNIBPEHLU-OAHLLOKOSA-N 353.319 4.252 0 1 FIAF Fc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(N2CCCC2)n1 587177407 HYGLXFPKLSAVMB-UHFFFAOYSA-N 352.200 4.066 0 1 FIAF Cc1cc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2c(C)n1 587222441 KYPBALPTWBTDQO-HXUWFJFHSA-N 356.429 4.094 0 1 FIAF C[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359275 RDXJYKKHMQCFCF-TZIWHRDSSA-N 356.393 4.076 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1Cl)O2 587378816 DSPLZPOCRKQYSR-QGZVFWFLSA-N 367.836 4.431 0 1 FIAF CCCSc1ncc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cn1 587493110 QSQHGRSLFAZUDF-QGZVFWFLSA-N 358.463 4.343 0 1 FIAF CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C 587525690 QYGHMDYUOPEGLC-VKIFBMEASA-N 356.462 4.269 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(O)c2)N1 587716037 IPMKCOJQAPQROY-PWJLMRLQSA-N 354.194 4.057 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COc2cccc(F)c2)N1 587728823 FWHDVLQGKVPNSP-BMIGLBTASA-N 368.221 4.382 0 1 FIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C 587748928 BTOLLYRLGBIIMF-HUTHGQBESA-N 351.263 4.167 0 1 FIAF Cc1nc2ccccn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587774959 OQVGNIBIECLWCJ-DYZYQPBXSA-N 374.257 4.168 0 1 FIAF Cc1cccc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn12 587776011 VKWWOUNEAZAGFM-XTZNXHDOSA-N 374.257 4.168 0 1 FIAF CCC[C@]1(CC(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813351 BUXISVHHIWJPRF-BBATYDOGSA-N 368.290 4.487 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1CCCO[C@@H]1C2(C)C 587841775 NZEPCYRIDVIHFB-BGKXCIEUSA-N 368.290 4.153 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(Cl)n1 587869045 YXRFIANEYYAJCE-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF COc1ccc(-c2cccc(-c3nc4c(N)ccnc4[nH]3)c2C)c(OC)c1 587928389 BAIBQPAUWOJGFA-UHFFFAOYSA-N 360.417 4.200 0 1 FIAF Oc1ccc2c(c1)[C@@](c1cc(F)cc(F)c1)(c1ccc(F)c(F)c1)NCC2 963340008 DVIJDBSFRBNGRQ-NRFANRHFSA-N 373.349 4.386 0 1 FIAF Cc1cc(Nc2cc(Cl)cc(-c3ccc4c(c3)OCO4)c2)nc(N)n1 1772604114 GPRIAMAUDFYTQY-UHFFFAOYSA-N 354.797 4.160 0 1 FIAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCc4ccccc4)cc3)c12 1772639669 XLLLPEWEVWGFPY-UHFFFAOYSA-N 357.417 4.255 0 1 FIAF CS(=O)(=O)Nc1ccc(-c2cncc(-c3ccc4[nH]ccc4c3)c2)cc1 1857556719 LVEUYCROGSLRHA-UHFFFAOYSA-N 363.442 4.268 0 1 FIAF CN(C)CCNc1ccnc2c(-c3ccccc3Oc3ccccc3)cnn12 1857576297 GRZNKAHWMRAKQJ-UHFFFAOYSA-N 373.460 4.162 0 1 FIAF CCCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC)c2c1 1857604630 OEZPJPMWUSVADU-WWLNLUSPSA-N 354.494 4.177 0 1 FIAF COc1ccc(NC(=O)c2cccnc2NCc2ccncc2)cc1Cl 1857628761 WRDOMTAHJYAQJB-UHFFFAOYSA-N 368.824 4.003 0 1 FIAF COC(C=CC(=O)O)=CC(C)=C[C@@H]1CCC[C@@H]2Oc3ccc(O)cc3[C@H]12 2356340921 BIFOIGIRZDSYFB-JBYOLUDKSA-N 356.418 4.154 0 1 FIAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]21 2356499993 ODXYRJZINXUHHD-ODALYTMWSA-N 361.526 4.075 0 1 FIAF C=C(c1cc(SC)nc(SC)c1)c1ccc2c(c1)c(C(N)=O)cn2C 2382224455 MADBNGMIXYCJLD-UHFFFAOYSA-N 369.515 4.178 0 1 FIAF CCc1ccc(Nc2cc(=O)n(C)c(SCc3ccccc3)n2)cc1 1857573 XKVHXXWMJMLZAK-UHFFFAOYSA-N 351.475 4.379 0 1 FIAF C[C@]12CC[C@H]3[C@H]4CCC(=O)C=C4C4(CC4)C[C@H]3[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 26496883 NEYLJRNOSBUARA-YUFNHCHTSA-N 366.501 4.450 0 1 FIAF Cc1cccc(C)c1OC[C@H](O)CNC(C)(C)Cc1c[nH]c2ccccc12 26735231 PMBXPZBNZOSNCS-LJQANCHMSA-N 366.505 4.135 0 1 FIAF COP(=O)(OC)C(CCCOc1ccccc1)P(=O)(OC)OC 29223720 KYSHDZJIVIKYPQ-UHFFFAOYSA-N 366.287 4.144 0 1 FIAF O=c1[nH]c2c(OCc3ccccc3)cccc2c2cn(-c3ccccc3)nc12 72175310 GURBKQGGACXNNQ-UHFFFAOYSA-N 367.408 4.446 0 1 FIAF Cc1ncc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCOCC3)c2)[nH]1 73160265 FGYFDVBNYFCGOE-UHFFFAOYSA-N 373.456 4.361 0 1 FIAF CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccccc2F)n1 82150833 ZDLYSLXAVUEXRN-KBXCAEBGSA-N 370.472 4.047 0 1 FIAF CCCCC/C=C\C[C@H](O)/C=C/[C@@H](O)[C@@H]1C[C@H]1[C@H]1CC=CCCC(=O)O1 85641192 ZMCHHZFBGBLCJE-TYGMALJESA-N 362.510 4.079 0 1 FIAF COC(=O)c1cc2cc(NCc3c(Cl)cccc3Cl)cnc2[nH]1 148960964 DJCLBOJZORFUMR-UHFFFAOYSA-N 350.205 4.268 0 1 FIAF CN(C)C(=S)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 299838739 NOYVOSPICIHDRX-UHFFFAOYSA-N 369.273 4.471 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(Cl)cc2[nH]1 586963417 NGBTWBMXYOOBES-CYBMUJFWSA-N 364.858 4.272 0 1 FIAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(F)cnc2[nH]1 586995846 JSDGYQCFAQYKDR-UHFFFAOYSA-N 350.191 4.174 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2cc(F)c(F)cc2[nH]1)C(F)(F)F 587093616 WDKHSBGSXNROFG-INIZCTEOSA-N 371.309 4.004 0 1 FIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc4ncccc4c3[nH]2)C(F)(F)C1 587132284 PARNOVRLLYEYLO-GFCCVEGCSA-N 374.391 4.081 0 1 FIAF CC[C@H](Oc1ccccc1F)c1nc2cc(Br)ncc2[nH]1 587156533 USSPRWNBKYZFML-LBPRGKRZSA-N 350.191 4.390 0 1 FIAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(Cl)ncnc3[nH]2)c1 587159420 PEGPPBGFQTVPNV-UHFFFAOYSA-N 364.771 4.151 0 1 FIAF CC(C)(C)OC(=O)N(Cc1nc2cccc(Cl)c2[nH]1)C[C@H]1CCCO1 587196393 RXEVKMLFSHCXAD-GFCCVEGCSA-N 365.861 4.132 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)ccc1F)O2 587381079 GEUGOTCLZIEMCR-QGZVFWFLSA-N 364.214 4.359 0 1 FIAF Nc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccnc1Br 587495702 FNHKBANJQSYYBX-HNNXBMFYSA-N 373.250 4.012 0 1 FIAF C[C@@]1(C(F)(F)C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543557 CMVNZWWXMSMWBB-BLLLJJGKSA-N 356.271 4.013 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1O 587547877 NXKMEERXMUPPIS-XLIONFOSSA-N 368.772 4.454 0 1 FIAF COc1cc(F)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587727122 ANNLXANQUIDJLK-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF CCCn1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587761406 BFDKDNMMIOGHQX-QGHHPUGFSA-N 366.278 4.127 0 1 FIAF Cc1[nH]c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587794211 UCNZMWHYRNYOEY-RBHXEPJQSA-N 351.263 4.465 0 1 FIAF CCOC[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587804666 DYAJFWAAAIZANL-PLQHRBFRSA-N 356.279 4.154 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2C(C)(C)C)N1 587806861 WENUFEWEMCLTAQ-PSLIRLAXSA-N 366.278 4.232 0 1 FIAF OCCC[C@H]1CCCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961613780 HUBJPVYTSCVHDV-BEFAXECRSA-N 364.327 4.285 0 1 FIAF COc1ccc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1Cl 962618211 BQGWJURJQQWPOQ-HXPMCKFVSA-N 361.869 4.332 0 1 FIAF CCOc1ccc2cc([C@H]3NCCc4ccc(O)cc43)c(Cl)nc2c1 963329620 PTKRNUALNOLCSE-IBGZPJMESA-N 354.837 4.228 0 1 FIAF Cc1c(CCO)sc[n+]1CCCCCCCCCCCCC(=N)N 1857552991 GAUDBPUSKBFIDI-UHFFFAOYSA-N 354.584 4.106 0 1 FIAF CCOC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cn2)c(F)c1N 1857578097 TVKBNUHCZNKLTI-UHFFFAOYSA-N 372.322 4.002 0 1 FIAF COc1ccc2c(c1OC)-c1c(Br)ccc3c1[C@H](C2)N(C)CC3 1857606752 BEKOHGQOLPINNR-AWEZNQCLSA-N 374.278 4.218 0 1 FIAF CCCCC[C@@H]1C[C@@H](CCc2ccc(O)c(OC)c2)O[C@](C)(OC)O1 2356602619 GRAMTNLTPRHKHT-MBOZVWFJSA-N 352.471 4.408 0 1 FIAF CC(=O)O[C@@H]1CC2=C(COC2=O)[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 2356632101 FLSJEPDXKPIBAA-XMHKDOOOSA-N 360.494 4.424 0 1 FIAF COc1cc(C[C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@H]2C)ccc1O 2356638525 HXXQPTLVFPWDAK-ZDWMIRFQSA-N 356.418 4.084 0 1 FIAF COc1cc(C[C@@H](CC(=O)O)C[C@@H](C)OCc2ccccc2)cc(OC)c1 7039564 XTQXBGGKYKPJDW-AEFFLSMTSA-N 372.461 4.333 0 3 FIAF COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(C)=O)N2Cc1ccccc1 248245249 LMGVVDBQPNRMPT-ANZJIFDASA-N 365.473 4.147 0 3 FIAF O=C(O)[C@H]1CCCN(CCOC2c3ccccc3C=Cc3ccccc32)C1 13729453 DHIVLYITIDUTFF-IBGZPJMESA-N 363.457 4.073 0 1 FIAF C[C@@H]1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(F)c2)CC1 13860157 HELOJRWGEVUNRF-QGZVFWFLSA-N 366.480 4.406 0 1 FIAF CO[C@@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 28476189 DRRFJWRBSWXNFW-IVAOSVALSA-N 373.443 4.321 0 1 FIAF O=C(NCCc1cccc2ccncc12)c1ccc(OC(F)(F)F)cc1 29040708 SYLPPTCSDBTVDI-UHFFFAOYSA-N 360.335 4.106 0 1 FIAF Cc1cc(N(C)CCCN2CCCCC2)nc(Nc2ccc(Cl)cc2)n1 45302208 SHHVGUDFQQYDDS-UHFFFAOYSA-N 373.932 4.494 0 1 FIAF O=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccccc2F)nc1 49036427 YOCUJVXRRWEPDN-UHFFFAOYSA-N 370.472 4.275 0 1 FIAF Cn1cc(-c2ccccc2[C@@H](O)c2ccc(Cl)cc2)c2cc[nH]c2c1=O 146385148 KPUTWNZRZOAMKV-FQEVSTJZSA-N 364.832 4.269 0 1 FIAF O=c1nc[nH]c2[nH]c(-c3cccc4ccc(Nc5ccccc5)nc34)cc12 222224096 BAPPLHACLUEZGL-UHFFFAOYSA-N 353.385 4.210 0 1 FIAF O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)n1nnc2ccccc21 299829381 JTICOIJOFVRANJ-IBGZPJMESA-N 362.820 4.432 0 1 FIAF Brc1c[nH]c2nccc(-c3nc4ccc5ncccc5c4[nH]3)c12 587003443 KRPPHUKZAPXKFJ-UHFFFAOYSA-N 364.206 4.417 0 1 FIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3ccc(Cl)cc3[nH]2)c[nH]1 587060854 OMLANNVQAQUXDA-UHFFFAOYSA-N 356.216 4.406 0 1 FIAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C)[C@@H](C(=O)O)C4)-c1ccccc1C2=O 587101042 JMZVVYBJZRYLGE-WBMJQRKESA-N 357.409 4.190 0 1 FIAF CCOC(=O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)on1 587106811 NCZYDGCEADJAOW-UHFFFAOYSA-N 370.364 4.278 0 1 FIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587149090 CPWCUKRAPPNGSK-ZETCQYMHSA-N 354.259 4.303 0 1 FIAF Cc1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 587258563 NOQHKYQDMAVXJL-SFHVURJKSA-N 358.445 4.443 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3cc[nH]c32)[C@H]1c1ccc(F)cc1 587344938 HWHKBLOSOMAYRA-UGKGYDQZSA-N 363.388 4.450 0 1 FIAF CCOC1=C[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353507 QWLLAYSBCGSXEQ-FPOVZHCZSA-N 354.377 4.343 0 1 FIAF COc1cc2c3c(c1)O[C@@H](CCc1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587424141 XPFWSIIUBCIBKC-CVEARBPZSA-N 362.347 4.463 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cn1 587555178 ZFKZYPGMMFEYAM-LPHOPBHVSA-N 353.761 4.144 0 1 FIAF Cc1cccc2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n12 587586215 JIXBDAGJQICHDD-UGKGYDQZSA-N 372.380 4.051 0 1 FIAF O=c1c2cc(Cl)ccc2cnn1-c1nccc(-c2cc3ccccc3o2)n1 587653217 SAKZMPGKEGAEHU-UHFFFAOYSA-N 374.787 4.242 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccnc2F)N1 587738012 JGIGIMROXLYUSC-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cnccc32)N1 587777984 KNQVSRZFEKHJOD-VOJFVSQTSA-N 361.258 4.097 0 1 FIAF COCC[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587794738 PTYLPFVICAFOSM-BNLOLNQZSA-N 356.279 4.154 0 1 FIAF COc1ccc(OC)c(-c2nc3cccc(Br)c3[nH]2)c1OC 587797725 RVPBOOQXEVZBQO-UHFFFAOYSA-N 363.211 4.018 0 1 FIAF CC(=O)C[C@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815383 MBDLOKPFIBGBQR-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(F)(F)F)ccn1 587870737 HLJJCMRQRXXZBV-UHFFFAOYSA-N 351.303 4.491 0 1 FIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(Br)nc2[nH]1 587929835 MWPYKHXSHBXEMD-GTNSWQLSSA-N 358.239 4.174 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(C)n(CCOC)c2C)N1 962943280 GMOAHEHSGMSFHM-IIBYNOLFSA-N 351.494 4.246 0 1 FIAF C[C@H]1CCCCN1C(=O)C[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963110479 PULWSYFYOXMQSE-KPZWWZAWSA-N 355.309 4.145 0 1 FIAF CC(=O)COc1cccc2cc(-c3ccc(Br)cc3)c(=O)oc12 1857596909 MMXORHLSRIBHAO-UHFFFAOYSA-N 373.202 4.190 0 1 FIAF COc1cccc2c1[C@@H](OC)O[C@]21Oc2cc(C)cc3ccc(O)c1c23 2356327522 CDINCUXIOCIGMM-LEWJYISDSA-N 350.370 4.131 0 1 FIAF CC[C@@H](C(=O)NCc1ccccc1)N(Cc1ccco1)C(=O)CCC(C)C 2356810651 AZYJCXSMXGOFFC-FQEVSTJZSA-N 370.493 4.139 0 1 FIAF Cc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cn1 11714657 XIYRVWHVDJWNBZ-INIZCTEOSA-N 356.853 4.087 0 3 FIAF COc1cc(-c2n[nH]c3ccnc(-c4ccccc4)c23)cc(OC)c1OC 74388448 CMCGZMHSRWAQDY-UHFFFAOYSA-N 361.401 4.318 0 3 FIAF Nc1ccc(-c2nc3cc(F)ccc3s2)cc1I 1658266 IMJKFJZKKOFDFI-UHFFFAOYSA-N 370.190 4.289 0 1 FIAF COC(=O)c1cccc(C)c1[C@@H]1CN=N[C@]12Cc1cc(C)cc(C)c1C2=O 5539661 JLDKIRQNTVTZJM-HTAPYJJXSA-N 362.429 4.126 0 1 FIAF CCCNc1c(C(=O)OCC)cnc2c1cnn2/C=C/c1ccccc1 13491858 MDRBLGCPPMHLOW-ZRDIBKRKSA-N 350.422 4.058 0 1 FIAF Cc1cc([C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)sn1 28250389 IEDZLXSGBXPSEW-QFIPXVFZSA-N 363.530 4.359 0 1 FIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)C[C@H]3O 29133245 PKRFUEHGRHZIHD-BXUZGUMPSA-N 356.418 4.134 0 1 FIAF CC[C@]1(C(=O)N[C@H](C)COc2cc(F)ccc2F)[C@@H](C)C1(Cl)Cl 29390084 MPBOAHOSHQCIGL-IQMDTDKHSA-N 366.235 4.068 0 1 FIAF COc1ccc(COC[C@@H](CCCCCCC(=O)O)Cn2ccnc2)cc1 29484444 ZAZLBFUOKKZIBA-IBGZPJMESA-N 374.481 4.150 0 1 FIAF CCCOCCCNC(=S)Nc1ccc(Br)c(Cl)c1 33925098 HLKAWXGEZLLQDR-UHFFFAOYSA-N 365.724 4.206 0 1 FIAF O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)c(-c2ncon2)s1 58592444 ZIDYBSALYYKKJE-UHFFFAOYSA-N 362.414 4.041 0 1 FIAF Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ccncc21 71316517 TXHRZLUSZNRUBR-UHFFFAOYSA-N 374.410 4.367 0 1 FIAF COc1ccc(Cc2nccc3cc(OCCF)c(OC)cc23)cc1F 72104862 RKCJBRXGTVCUAN-UHFFFAOYSA-N 359.372 4.330 0 1 FIAF COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2C)n1 82177696 SMHTWBRWYIYRHB-UHFFFAOYSA-N 354.479 4.251 0 1 FIAF O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 95872298 XFLZELRWIBAHQY-ACRUOGEOSA-N 363.457 4.052 0 1 FIAF O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)NCc1ccccc1 102189182 QNIDKPSAVPMQPT-XYCLOBBJSA-N 362.311 4.427 0 1 FIAF CN1C[C@](O)(c2ccc3c(c2)Nc2ccccc2S3)O[C@@H]2CCCC[C@@H]21 169307090 RKNYLNHGFOONQP-WAOWUJCRSA-N 368.502 4.313 0 1 FIAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC[C@@H](O)[C@@H](C)CC/C=C\2 169368990 NDOUUJAOZBANGT-SHWANJOSSA-N 362.466 4.223 0 1 FIAF Oc1csc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)n1 169726277 JOTVNLULGGLFMD-INIZCTEOSA-N 357.385 4.483 0 1 FIAF Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)n[nH]c(=O)c1C 220989367 AACCYDBZWAOEIL-UHFFFAOYSA-N 373.359 4.151 0 1 FIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(OC(C)C)cc2[nH]1 586881582 HJJGXWWKGBJTNP-UHFFFAOYSA-N 350.418 4.279 0 1 FIAF O=C1CCc2cc3nc(CCCCCCCCCCCO)[nH]c3cc2N1 586894460 GPEZVHKSLDXCNC-UHFFFAOYSA-N 357.498 4.493 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 586916499 MQJNEYYXCJYMHW-QRQCRPRQSA-N 363.461 4.472 0 1 FIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 587026420 DWXOMIXVHWBNIA-UHFFFAOYSA-N 357.366 4.016 0 1 FIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccnc(O)c2[nH]1 587035111 OFWFQFNODUGBTP-ZDUSSCGKSA-N 366.446 4.149 0 1 FIAF COc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587039719 FAPRKUXVWODBFS-NVXWUHKLSA-N 359.882 4.171 0 1 FIAF Cc1cc(Br)c2[nH]c(C(C[C@H]3CCCN3)=C(F)F)nc2c1 587087128 BEGGKCHSTOFFHU-SECBINFHSA-N 356.214 4.384 0 1 FIAF Fc1cccc2c(-c3nc4ncc(Br)c(Cl)c4[nH]3)n[nH]c12 587175830 BHZBOLAOILDGKS-UHFFFAOYSA-N 366.581 4.056 0 1 FIAF OCCc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195328 DYWDTECHXHUQBP-UHFFFAOYSA-N 357.457 4.305 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)C(C)C)c1)O2 587389419 KISSLQPQKNBOHS-NRFANRHFSA-N 352.434 4.052 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1[C@@H]1CCCN1C)CC2=O 587476507 PHLNNAFMIKYWAR-NPPFBWRTSA-N 357.494 4.333 0 1 FIAF CC(C)(C)OC(=O)NCC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587514264 WIAHHACPWNPWOR-OAQYLSRUSA-N 359.466 4.204 0 1 FIAF O=C1C[C@]2(CCCCC[C@H]2Cn2cncn2)Oc2c1ccc1c2CCCC1 587516624 DLPZJILNEHBPSG-JTSKRJEESA-N 365.477 4.141 0 1 FIAF O=C1C[C@@H](c2c[nH]nc2-c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 587524654 LJKIPSNGCISLFH-FQEVSTJZSA-N 360.413 4.368 0 1 FIAF Cc1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551815 KDACZKNFUSCJCL-XLIONFOSSA-N 367.788 4.452 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(F)c(F)c1 587558793 UOJWMTLRGIPKSY-UZLBHIALSA-N 370.307 4.079 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1F 587568861 OGWLAZDJVMJJKN-UZLBHIALSA-N 354.308 4.373 0 1 FIAF CC(C)COCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593314 IRRUNKAKVVNORZ-GHTZIAJQSA-N 356.418 4.175 0 1 FIAF CC(C)(C)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657151 XDAMIRGXEPTVRO-UHFFFAOYSA-N 356.372 4.418 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2F)N1 587725120 NTGOBSBATWVBFN-HUTHGQBESA-N 368.221 4.231 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2ccc(F)cc2)N1 587729334 HIXHYXKVDBONJU-MEBBXXQBSA-N 368.221 4.382 0 1 FIAF CCO[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587812499 QWOLQYUQEFQKFY-KHIZAZIESA-N 356.279 4.297 0 1 FIAF CC(=O)C[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815076 XYCNIHUINFRMTR-APPDUMDISA-N 356.279 4.343 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)C[C@@H](C)C2=O)N1 587822274 JOIBFHAOVUEZKH-PJYBLOJUSA-N 368.290 4.343 0 1 FIAF O=C(COc1ccc(F)cc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587873818 NZDPBMTZBVDIIB-UHFFFAOYSA-N 362.719 4.307 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cc(F)c(N)c(F)c2F)N1 962940604 DDVKOHKGNVDSKW-FVINQWEUSA-N 359.395 4.355 0 1 FIAF CCCCCC1=CCC[C@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963230986 RJCNWEPYYGMVHE-IRLDBZIGSA-N 350.462 4.330 0 1 FIAF CN1CCc2c(Br)cccc2[C@H]1c1cccn1-c1ccncc1 963279014 DUHPSVNZQNGVIA-IBGZPJMESA-N 368.278 4.212 0 1 FIAF CC1=CCC[C@@H](C(=O)O)CCC[C@@H](C(=O)O)[C@H]2C[C@@H](CC1)C(C)(C)O2 2356392650 KWEBFCAMVUQYNP-QBPKDAKJSA-N 352.471 4.262 0 1 FIAF CC(=O)Nc1ccc(SCCN2CC[C@@H](C(C)(C)C)CCC2=O)cc1 36382898 SPTOBYMWCCVNAY-INIZCTEOSA-N 362.539 4.412 0 3 FIAF CCOc1ccc(CCNC(=O)c2cc3sccc3n2CC)cc1OC 198397402 DSIWTSVIOGVOKB-UHFFFAOYSA-N 372.490 4.103 0 3 FIAF O=c1[nH]c2ccc(N3CCC[C@H]4CCCC[C@H]43)nc2nc1Cc1ccccc1 2500081 PBPKWKPTVJYQDW-YLJYHZDGSA-N 374.488 4.068 0 1 FIAF Oc1ccc2[n+](c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2ccccc21 27190647 ZIZMWGCEYKQJEU-FCHUYYIVSA-O 356.401 4.290 0 1 FIAF Nc1nc(-c2cccc(-c3ccccc3)c2)cc2nc(-c3ccco3)nn12 28115839 WKNKZJMBCMFFCJ-UHFFFAOYSA-N 353.385 4.301 0 1 FIAF COc1ccccc1-c1ccc2c(c1)c(CC(N)=O)cn2Cc1ccccc1 28888302 VAZMTIOJCBRWHK-UHFFFAOYSA-N 370.452 4.393 0 1 FIAF O=c1cc(CCCC2(c3ccccc3)CC2)c2c(O)nc(C(F)F)nc2o1 66076601 DKYRUKZCEHDDCS-UHFFFAOYSA-N 372.371 4.281 0 1 FIAF CCN(C(=O)c1ccccc1OCc1ccccc1F)[C@H]1CCC[C@@H](N)C1 96286339 ZDXREZFNPUOZCQ-MSOLQXFVSA-N 370.468 4.137 0 1 FIAF CCN(CC)c1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3o2)cc1 101304815 NIAPMMALORIRFR-UHFFFAOYSA-N 353.418 4.323 0 1 FIAF CCO[C@H]1C[C@@H](c2coc3ccc(C)cc3c2=O)N(c2ccccc2)O1 136826747 BOKPTLQJLKDWAZ-AZUAARDMSA-N 351.402 4.347 0 1 FIAF COc1ccc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc(F)cc3)CC2)cc1 166657773 VTCQEZWMSYSXRM-RUCARUNLSA-N 358.413 4.346 0 1 FIAF O=C(NCc1ccco1)c1cn2cc(-c3cccc4ncccc34)ccc2n1 299825032 VANIHKBEJKAATN-UHFFFAOYSA-N 368.396 4.073 0 1 FIAF OCC12CCC(c3nc4ccc(Br)c(F)c4[nH]3)(CC1)CC2 586895299 DKJKGSJKVOHSHR-UHFFFAOYSA-N 353.235 4.049 0 1 FIAF COc1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2n1 587067599 GVROMQFHGVWVFT-UHFFFAOYSA-N 365.820 4.446 0 1 FIAF O=C1CCc2cc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c3cc2N1 587073257 DTWDTXWJMNSQDH-UHFFFAOYSA-N 351.837 4.375 0 1 FIAF Cc1cc(Br)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1F 587137938 SXEHVQGJJBJRQV-AWEZNQCLSA-N 363.190 4.164 0 1 FIAF Fc1ccc2c(-c3nc4c(F)cnc(Br)c4[nH]3)coc2c1 587175004 OMQZKAHFSVBEON-UHFFFAOYSA-N 350.122 4.412 0 1 FIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(O)cc3[nH]2)c(O)c1 587241154 VXYOJZJHNUCZAU-UHFFFAOYSA-N 373.412 4.131 0 1 FIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C(=O)O)C3)c1 587365485 HUGMMVOPQUUWBB-CYBMUJFWSA-N 359.381 4.456 0 1 FIAF COC(=O)N(C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587502280 FNMKVGUZBGTCEJ-KRWDZBQOSA-N 365.429 4.172 0 1 FIAF O=C(O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(F)cc1 587622806 UEBULITYGMYMLM-UHFFFAOYSA-N 374.169 4.311 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C(F)F)N1 587719355 QFLLBJAKMSVBLT-RMLUDKJBSA-N 359.189 4.408 0 1 FIAF CC(C)n1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587762556 FWUNLIOLVYYPNW-APPDUMDISA-N 366.278 4.163 0 1 FIAF CC(C)[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587768987 FRNGFPWLHRHJDU-KZULUSFZSA-N 363.274 4.417 0 1 FIAF Cc1[nH]c2c(C)cccc2c1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963238340 YLRVHJWMQSNQLO-KNQAVFIVSA-N 371.440 4.021 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cn(CCF)c2ccccc12 963634137 JQVDMMWKPAOXPH-PEBXRYMYSA-N 368.452 4.252 0 1 FIAF COc1cc(NCCNc2ccnc3cc(Cl)ccc23)cc(OC)c1 1772642644 MNANVGIBOTVQJM-UHFFFAOYSA-N 357.841 4.429 0 1 FIAF COc1ccc([C@@H](C)C(=O)c2ccc(N3CCCC3)cc2OC)cc1OC 1857753847 OIDMAIVMDMYADI-OAHLLOKOSA-N 369.461 4.299 0 1 FIAF COc1cc2c(cc1O)O[C@H]1c3cc4c(cc3OC[C@H]21)OC(C)(C)C=C4 2356543058 DDBMMQROTYGJPU-VLIAUNLRSA-N 352.386 4.195 0 1 FIAF CCC=CC[C@@H]1C=C[C@@H]2[C@H](OC(C)=O)CC(=O)[C@@H]2CC=CCCCC(=O)O1 2356687916 FMPPDLWWZZRSMA-WERVVEIQSA-N 374.477 4.078 0 1 FIAF CCCCC[C@@H](O)CCCCC[C@H]1Cc2cc(OC)cc(O)c2C(=O)O1 13460216 LYFHIUXSMZPGHC-SJORKVTESA-N 364.482 4.374 0 1 FIAF biogenic C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ncn1)c1ccccc1 28358244 LRYYGIHBCQWTFF-HNNXBMFYSA-N 352.413 4.280 0 1 FIAF CC[C@H]1[C@@H]2[C@@H]3Cc4ccc(OC)cc4[C@]2(CCN3CC2CC2)CC(=O)[C@@H]1C 29221630 OQUJWCCEFSDNKI-ISXWBVLPSA-N 367.533 4.225 0 1 FIAF CN1CCN(C2=Nc3cc(F)ccc3Nc3sc4c(c32)CCCC4)CC1 36288985 VNPKMICZAYGWCS-UHFFFAOYSA-N 370.497 4.149 0 1 FIAF CCOC(=O)c1cc(-c2cccc(OCc3cc(F)ccc3F)c2)on1 45286893 HLPPJRJNQVCNQS-UHFFFAOYSA-N 359.328 4.376 0 1 FIAF CCCCc1ccc(S(=O)(=O)Oc2ccc(Cn3ccnc3)cc2)cc1 58581284 JWIMKSZPZLWASV-UHFFFAOYSA-N 370.474 4.042 0 1 FIAF O=C(Nc1ccc(F)cc1)c1csc([C@H](O)c2ccc(Cl)cc2)n1 82078961 QGWLVLOZVRCISF-OAHLLOKOSA-N 362.813 4.270 0 1 FIAF O=C(NCc1cccc(OC(F)(F)F)c1)c1coc(-c2cccs2)n1 82086272 JEGLEXNZPSOFHA-UHFFFAOYSA-N 368.336 4.232 0 1 FIAF CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1c1ccc(-c2ccccc2F)cc1 96248459 GYFKLQQEFVYNDD-SIKLNZKXSA-N 366.480 4.498 0 1 FIAF O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cscn1 96914430 QJLNEMCWRNIUDT-UHFFFAOYSA-N 356.794 4.252 0 1 FIAF Cc1cc(C)cc(Nc2nccc(N(C)c3ccc4cn(C)nc4c3)n2)c1 103261690 UMSWUMVMJPEGIQ-UHFFFAOYSA-N 358.449 4.492 0 1 FIAF Cc1ccc(Cn2c(=N)n(C[C@H](O)c3ccccc3)c3ccccc32)cc1 205425513 ZEYVHYSBRLPOGD-QFIPXVFZSA-N 357.457 4.013 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586895162 RQCCZGHPHPYBHF-UHFFFAOYSA-N 371.440 4.091 0 1 FIAF Fc1cc(Br)c(Cl)cc1-c1nc2cnc(Cl)[nH]c-2n1 587136450 HOWFZJZZULTGCO-UHFFFAOYSA-N 361.989 4.180 0 1 FIAF COc1nccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587149564 IAYKSVPYKRLXEC-SFHVURJKSA-N 367.355 4.413 0 1 FIAF Cc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2n1 587185178 YPRNFCUXJLECEG-SOFGYWHQSA-N 361.186 4.041 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc3nc[nH]c3c1)O2 587395979 HRLYYTGEWUVLDV-HSZRJFAPSA-N 369.424 4.363 0 1 FIAF COc1cc(SC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587407901 CPOXWTPJUXKUIZ-HNNXBMFYSA-N 359.447 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cscc1Br)[C@@H](C2)C3=O 587454234 VRYQRTNIEAFPTH-QFYYESIMSA-N 365.248 4.182 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1F 587568859 OGWLAZDJVMJJKN-OXJNMPFZSA-N 354.308 4.373 0 1 FIAF CC(C)[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCO1 587614071 BKMFKWMPSQTHOJ-DZVNEVJTSA-N 368.429 4.174 0 1 FIAF Cc1nn(C)cc1-c1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(F)(F)F 587629834 JZYRBRNNYMYLNL-UHFFFAOYSA-N 359.710 4.414 0 1 FIAF Cc1nc(F)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587737261 DMYUMEJLEUJXNY-PWJLMRLQSA-N 353.210 4.054 0 1 FIAF Cc1nc2ccccn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587775793 UEQXCBMFXIDRSC-DYZYQPBXSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3nccc-3c2)N1 587804018 QPEHOGFQCLZLKO-XTZNXHDOSA-N 374.257 4.214 0 1 FIAF CCCCNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863525 MSQMBVDRQMQQAZ-UHFFFAOYSA-N 357.401 4.100 0 1 FIAF CCCC/C=C/c1nc2c(I)cnc(Cl)c2[nH]1 587965808 PLJJGBUQPNNQFL-AATRIKPKSA-N 361.614 4.419 0 1 FIAF CCOC(=O)CC[C@@]1(c2ccc(F)cc2)NCCc2cc(C)c(F)cc21 962147678 QAQZFBGAEXYYRY-NRFANRHFSA-N 359.416 4.006 0 1 FIAF COc1ccc2cccc([C@]3(C)NC[C@H]4CC(=O)N(C)c5cccc3c54)c2c1 963036285 XDAFULFBZMZFBB-GYCJOSAFSA-N 372.468 4.165 0 1 FIAF CCOC(=O)[C@]1(c2ccc(CC)cc2)c2c(F)cccc2C[C@H]2CCCN21 963098360 GMPFJXNQJSODDR-XXBNENTESA-N 367.464 4.215 0 1 FIAF O[C@@H](CNCC1(c2cccs2)CCCC1)COc1ccc(Cl)cc1 1857647606 ADMRYWSAQYUTRH-INIZCTEOSA-N 365.926 4.243 0 1 FIAF COc1ccc(CC2(CO)CCN(Cc3cc4ccccc4o3)CC2)cc1 12432870 VBJLFSJKTDRLLS-UHFFFAOYSA-N 365.473 4.259 0 3 FIAF Cc1ccc([C@@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN32)o1 251253096 UTVRUFIXABFXAE-HOCLYGCPSA-N 351.233 4.405 0 3 FIAF CN1CCC([C@](O)(c2ccccc2)c2ccc(Br)cc2)CC1 1660409 LQVHOPLMWCXWKV-IBGZPJMESA-N 360.295 4.027 0 1 FIAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCN(CC)CC 4212544 QLSHMMROZWYTAD-SFTDATJTSA-N 373.541 4.159 0 1 FIAF CC(C)OCc1ccc2n1C=C(N1CCN(C)CC1)c1ccccc1S2 13532231 ABCRKPVZDDXKEX-UHFFFAOYSA-N 369.534 4.081 0 1 FIAF CCOc1ccccc1CN1CCCN(Cc2ccccc2OCC)CC1 22782453 MKTNZDDZZXKSBO-UHFFFAOYSA-N 368.521 4.192 0 1 FIAF O[C@H]1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)N2CCC1CC2 28826454 MCPDYCAWWMQGBX-ZWULCIMOSA-N 362.448 4.256 0 1 FIAF O=C(Cc1cccc2sccc12)N1C[C@H]2CCCN2[C@@H]2CCCC[C@H]21 29396687 MZFRACSRDGXGRX-BHIYHBOVSA-N 354.519 4.062 0 1 FIAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(F)c3)cc2)c1 43203338 JEFRBITWIOXMNQ-CQSZACIVSA-N 350.393 4.387 0 1 FIAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCCC1 43204911 KIDXBKRFIRDXFS-PXNSSMCTSA-N 355.526 4.187 0 1 FIAF C=CC1=C(C(=O)NCc2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)OC1 73223585 RXWPJWQXXUNTDI-IBGZPJMESA-N 357.812 4.349 0 1 FIAF CCN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc(C)c1 82147584 LFRFOTRZRCWJAX-IAGOWNOFSA-N 366.509 4.026 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](C/C=C/CCCC(=O)O)[C@@H]2CO[C@@H]1C2 101891458 LQANGKSBLPMBTJ-RKIKLIBQSA-N 350.499 4.336 0 1 FIAF in-vitro CC1=N[C@]2(N=C1N)c1cc(-c3cc(F)cc(F)c3)ccc1CCC21CC1 211020097 OMBWPONBVQEDHK-NRFANRHFSA-N 351.400 4.343 0 1 FIAF Cc1ccc(CNc2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)cc1 299865374 NOTLKYGBHLVVQZ-UHFFFAOYSA-N 360.465 4.230 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586963431 NTHHIUPPIMQBMJ-VIFPVBQESA-N 370.265 4.312 0 1 FIAF Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)ncc3[nH]2)cs1 587020458 ABWDBMJPPOFBBF-UHFFFAOYSA-N 360.240 4.147 0 1 FIAF Fc1c(F)c(F)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1F 587039222 CXCDYMXEEQLDEH-UWVGGRQHSA-N 367.371 4.066 0 1 FIAF COC(=O)[C@H]1CCCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587106089 DWSTVGUZPYCZBI-KRWDZBQOSA-N 357.409 4.429 0 1 FIAF C[C@@H](Oc1ccc(F)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587168957 OQCQBLIRFHSKFC-ZCFIWIBFSA-N 360.698 4.256 0 1 FIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(CO)cc3[nH]2)c1 587196509 YGXHKWMVUUBHPO-UHFFFAOYSA-N 367.449 4.402 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1CN1CCCCC1)O2 587398963 JUZJZDFZIREVTC-NRFANRHFSA-N 350.462 4.270 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccc(OCCF)cc1)(C(C)C)[C@@H](C2)C3=O 587424684 RYSLGHBXYOXBTO-PGRDOPGGSA-N 370.420 4.342 0 1 FIAF CCOc1nc2ccccc2cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436561 REFDVAACVCRVJY-QVKFZJNVSA-N 361.397 4.131 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Cc4ccccc4)ccc1O)[C@@H](C2)C3=O 587449157 HXHPESKEQQOLSV-YADARESESA-N 372.420 4.480 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(O)cc1)[C@@H](C2)C3=O 587449479 JTCVLKRJLWZEOH-CVDCTZTESA-N 358.393 4.092 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1nc(Cl)cnc1Cl)CC2=O 587462779 SRVMFEMRRXSROA-LBPRGKRZSA-N 353.205 4.148 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3c(C)cc(F)cc13)CC2=O 587472473 RGPDCMFUZNHEDB-KRWDZBQOSA-N 354.381 4.375 0 1 FIAF Cc1[nH]nc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 587521230 AYSYPEWEVMVWQU-JOCHJYFZSA-N 350.462 4.430 0 1 FIAF CC[C@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586126 HKFBGSRERJJVGC-GCJKJVERSA-N 361.397 4.363 0 1 FIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1 587750635 UUZIJXRQAMSAPW-ZMZPIMSZSA-N 363.274 4.277 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nn(C)cc23)N1 587761196 TWRAIQVEYCQXEV-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2)N1 587826299 AASPKCMUCASAIS-BTDLBPIBSA-N 350.231 4.092 0 1 FIAF COc1cc(-c2ccccc2)c(OC)n1-c1n[nH]c(-c2ccccc2F)n1 587944746 FHPFNXZPIITYEY-UHFFFAOYSA-N 364.380 4.086 0 1 FIAF COc1ccc(OC)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587945949 PTUBEQLZYCGPHE-UHFFFAOYSA-N 365.408 4.091 0 1 FIAF Cc1cc(OC(C)(C)C)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O 587946407 SPPCWMNQYIBKED-UHFFFAOYSA-N 355.413 4.189 0 1 FIAF COc1cc2c(cc1OC)[C@](C)(CC(=O)c1ccccc1F)N(C)[C@H](C)C2 962623625 KOOBCCNXQRZVEH-PEBXRYMYSA-N 371.452 4.208 0 1 FIAF C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@H](C)[C@]2(NCCc3ccc(O)cc32)[C@@H]1C 963351369 GUIWYCLFQFQVRL-CDXSOPQDSA-N 364.533 4.298 0 1 FIAF O=C(O[C@@H]1CN2CCC1CC2)N(CCc1ccc(F)cc1)c1ccccc1 1857579878 UBXUDWCOFMMEAI-OAQYLSRUSA-N 368.452 4.106 0 1 FIAF COC(=O)[C@H](C)NC(=O)[C@]1(C)CCC[C@@H]2c3ccc(C(C)C)cc3CC[C@H]21 1857613159 LSVMVDWHWDLORY-TUZUBFTQSA-N 371.521 4.324 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4055240 LVXVZZJXPLTRPQ-PKOBYXMFSA-N 356.853 4.348 0 1 FIAF COc1cc2c(cc1OC)Oc1c(OC)ccc(CCN(C)C)c1C=C2 14693748 ZIEYKOGDJZHQIE-UHFFFAOYSA-N 355.434 4.093 0 1 FIAF biogenic C[C@H](CN1CCN(C)CC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 20036592 CANAZJNIVKIFED-QGZVFWFLSA-N 374.569 4.074 0 1 FIAF CN(C)c1ccc(-c2cnccc2[C@H]2SCC(=O)N2C2CCCC2)cc1 28819674 PDMAYPLGNFUROW-OAQYLSRUSA-N 367.518 4.331 0 1 FIAF CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12 29128120 FUYQNHMRZBSEET-UHFFFAOYSA-N 364.493 4.364 0 1 FIAF COc1ccc2cc(S[C@H]3SC(=O)NC3=O)ccc2c1C(F)(F)F 29218477 QIFFVEWTYAZGIV-ZDUSSCGKSA-N 373.377 4.268 0 1 FIAF COC(=O)c1oc2ccccc2c1NC(=O)CSc1ccc(C)cc1 64513076 ZMITXFKGOHLREG-UHFFFAOYSA-N 355.415 4.259 0 1 FIAF COc1cccc(CNCc2coc(-c3ccccc3Br)n2)c1 72184205 DOGSKDZSCRLYGY-UHFFFAOYSA-N 373.250 4.403 0 1 FIAF O=C1Nc2ccc(Br)cc2/C1=C/c1c[nH]nc1-c1ccccc1 95603911 BZTOCWGLNIGXQN-NVNXTCNLSA-N 366.218 4.332 0 1 FIAF CCOC(=O)/C=C1/CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169359461 SLLCGKGKUIUVBU-FLTKEFOUSA-N 371.521 4.465 0 1 FIAF COc1ccc2c(c1)CC[C@@]1(CCCCN1CCc1ccccc1F)C2=O 207875830 LKBHOEDVTWBTBW-QHCPKHFHSA-N 367.464 4.431 0 1 FIAF CC(C)Oc1cc2[nH]c(-c3ccc(CO)cc3)nc2cc1Br 586895634 QQKIFLCMFYYADP-UHFFFAOYSA-N 361.239 4.272 0 1 FIAF COc1cc(-c2nc3cnccc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143521 HCDOALSZXOODNM-UHFFFAOYSA-N 363.348 4.138 0 1 FIAF CCN1CC[C@]2(C[C@@H]1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343005 IZQWTVOJCXJOLJ-UPNLOYSTSA-N 369.436 4.133 0 1 FIAF CCn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587344741 YFPCUVCOBXFZDP-TZIWHRDSSA-N 366.392 4.022 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)F)c(F)c1)O2 587383572 SSHBUHXYTJKGCW-HNNXBMFYSA-N 355.287 4.321 0 1 FIAF CCCc1nnc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)o1 587394600 IMDBYHVITQGCMH-SFHVURJKSA-N 363.417 4.286 0 1 FIAF COc1ccc([C@@H](C)[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400740 SQLWAWGWPJKRRI-ASSNKEHSSA-N 355.434 4.122 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccc(F)cc3[nH]1)CC2=O 587470185 FGODSYNKXFCVTO-HXUWFJFHSA-N 354.381 4.241 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3oc(C)c(C(=O)O)c31)CC2=O 587476613 CYTZYWYDMISYAB-OAQYLSRUSA-N 370.401 4.141 0 1 FIAF CCCc1ccc2c(c1)[C@]1(CC(=O)c3ccc(O)c(CCC)c3O1)C(=O)N2 587478739 BOPVPFGBQFTTFM-JOCHJYFZSA-N 365.429 4.110 0 1 FIAF O=C1C[C@@](CCCO)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587503075 KQYNLLLNFNIMTB-QFIPXVFZSA-N 354.421 4.338 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2F)N1 587717971 LXNAYHZFHBRQTH-BCTVWOGZSA-N 354.194 4.057 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2F)N1 587717975 LXNAYHZFHBRQTH-PWJLMRLQSA-N 354.194 4.057 0 1 FIAF CNc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587740005 BZYXIHQZAPYSMQ-ZMZPIMSZSA-N 363.274 4.428 0 1 FIAF CCCn1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587764489 QFYVZJLTSSUESK-BTDLBPIBSA-N 366.278 4.127 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(C2CC2)N1 587774669 NQRGXWGRFMDQPM-ADLMAVQZSA-N 361.258 4.171 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccoc3c2)N1 587779143 VGQJTERYRCZUKX-VVVCHXIZSA-N 361.214 4.353 0 1 FIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(OC(C)C)ccc3[nH]2)cc1 587783810 ARBZUKKDSRJSPZ-IRXDYDNUSA-N 350.418 4.294 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc[nH]c3n2)N1 587802960 ORYBFJUWSFSCEY-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(O)cc2)N1 587830090 BCMYJNIUBKPMEA-BBATYDOGSA-N 364.258 4.286 0 1 FIAF CCSC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587846768 RPXBAFDQHCIJAN-RFAUZJTJSA-N 360.292 4.007 0 1 FIAF CC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587847634 LUXPKDIEJCVPDU-ZKANADHPSA-N 368.271 4.476 0 1 FIAF COC(=O)c1ccc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2c1 587933616 SSDHJLSDMVBDEJ-UHFFFAOYSA-N 350.418 4.218 0 1 FIAF COc1ccc(C2(c3nc4ccc(CCO)cc4[nH]3)CC3(CCC3)C2)cc1 587935544 NIEWPKXYCCMMMB-UHFFFAOYSA-N 362.473 4.357 0 1 FIAF Brc1c[nH]c2nc(/C=C/c3cccc4ccccc34)nc-2n1 587967695 IOFKYLLOHNCHOC-CMDGGOBGSA-N 351.207 4.391 0 1 FIAF CN(Cc1ccccc1Cl)c1cc(C(=O)Nc2ccccc2)ncn1 1772656785 WYLUOTPZCZSWJW-UHFFFAOYSA-N 352.825 4.019 0 1 FIAF CCC=CC[C@H](O)C=CC=CC=C[C@@H](O)CC=CCC=CCCC(=O)O 2356464803 CRDZYJSQHCXHEG-SFTDATJTSA-N 360.494 4.491 0 1 FIAF O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](c2ccco2)N=Cc2cccn21 2382239957 WIQZJMFUQSUVDO-SJORKVTESA-N 369.218 4.441 0 1 FIAF CCCCCn1c2ccccc2c2c(OC[C@@H](O)CN(C)C)cccc21 2382252375 WTROEZMLKOGKEE-KRWDZBQOSA-N 354.494 4.286 0 1 FIAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3ccccc3OC)cs2)c1 61905787 XKWGXMLXNIQILV-LJQANCHMSA-N 368.458 4.053 0 3 FIAF C[C@H]1[C@@H](OC(=O)Nc2ccccc2F)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205708403 IAIXFWSLNQOZNI-ZUEQLIKTSA-N 374.456 4.334 0 3 FIAF C[C@@H](NC(=O)[C@@]1(C)CON=C1c1ccc(Cl)cc1)c1ccc(F)cc1 768754 ANMJFWKBHAFJRW-BLVKFPJESA-N 360.816 4.097 0 1 FIAF CC(C)c1ccc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)cc1 13649345 MSKIBNLNNOUBGI-UHFFFAOYSA-N 355.434 4.233 0 1 FIAF O=C(Nc1ccc2ccccc2c1)c1nc(-c2cccs2)nc(O)c1O 49051006 YCHXPKWHIKUTAJ-UHFFFAOYSA-N 363.398 4.022 0 1 FIAF CCC(CC)c1nc2c(NCC(C)C)ncnc2n1CC[C@@H]1CCCN1C 82178165 QJVAKAROZNXLQH-KRWDZBQOSA-N 372.561 4.282 0 1 FIAF CCCn1nc(C)c(-c2ccc3c(c2)NC(=O)CO3)c1-c1ccc(F)cc1 200978310 JWPRVWWCLUAMTI-UHFFFAOYSA-N 365.408 4.406 0 1 FIAF Cc1noc(C)c1-c1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)OC3)c1 299823599 RFMUVQXFILOQCW-OAQYLSRUSA-N 373.412 4.348 0 1 FIAF Fc1cc(Cl)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966922 LOLNFICZFBAECL-UHFFFAOYSA-N 361.789 4.093 0 1 FIAF COc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1OC 587005251 DZZFBLRVPAECPF-UHFFFAOYSA-N 368.618 4.058 0 1 FIAF COC(=O)c1cccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c12 587242126 NGHQWPKCVYNHCT-UHFFFAOYSA-N 365.433 4.391 0 1 FIAF Nc1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1CC(=O)O 587250674 VZQVNUWXWNFEPP-UHFFFAOYSA-N 373.412 4.018 0 1 FIAF N[C@@H](Cc1nc2ccc(Br)nc2[nH]1)c1cccc2ccccc12 587258820 LRKXISYERPRCOH-AWEZNQCLSA-N 367.250 4.116 0 1 FIAF CC(=O)[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352872 JZSOZYKIAKVGLC-PZJWPPBQSA-N 356.393 4.264 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(Br)cc1)[C@@H](C2)C3=O 587416664 DXMKMGNADLFMJM-KXBFYZLASA-N 373.246 4.207 0 1 FIAF CCCCn1nc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1Cl 587419148 CSSNHDFUCGZNQZ-ACJLOTCBSA-N 360.841 4.142 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC(F)(F)F)c1F)[C@@H](C2)C3=O 587423293 UBDKWTZKWWZYHD-GTNSWQLSSA-N 368.282 4.222 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](O)c1ccccc1)[C@@H](C2)C3=O 587453305 YFJUUNDPXGQWSJ-WDJPJFJCSA-N 372.420 4.072 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(C)c1N)CC2=O 587468044 ACYOIGANRVOGDP-OAQYLSRUSA-N 355.434 4.125 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)OC)s1)CC2=O 587493373 GORSIZROUXIKPF-IBGZPJMESA-N 360.431 4.073 0 1 FIAF Cc1nn(-c2ccccn2)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515666 NSPXXEDRXINWHV-HXUWFJFHSA-N 373.456 4.469 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(O)cc2F)N1 587720166 MTTKBFGUPSQMTO-QZTNRIJFSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2coc(C3CC3)n2)N1 587773115 IDABERNOFHCTAJ-VVVCHXIZSA-N 365.246 4.251 0 1 FIAF CCCCc1ccc(-c2nc(C)c(-c3ccnc(NC(=N)N)n3)s2)cc1 653838535 SJBDYAIBZLZERC-UHFFFAOYSA-N 366.494 4.223 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccnc1-n1cnc(Cl)n1 963239029 ITLXRILATBSJLY-KBXCAEBGSA-N 367.884 4.062 0 1 FIAF O[C@H](CNc1ccccc1)CNc1ccc(-c2nc3ccccc3o2)cc1 1857611991 NQVWSOQVKRIWCE-LJQANCHMSA-N 359.429 4.380 0 1 FIAF COc1ccccc1-c1nc(C)c(COc2ccc(CCC(=O)O)cc2)o1 1857763236 YRLKLZDJOAVSSF-UHFFFAOYSA-N 367.401 4.255 0 1 FIAF Cc1cc2nc(CO[C@H]3CN(Cc4ccccc4F)C[C@@H]3F)[nH]c2cc1C 2356300385 UYWHQOKGJZEVPP-PXNSSMCTSA-N 371.431 4.058 0 1 FIAF C[C@]12CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@@H]1CC[C@](C)(CC(=O)O)O2 2356499434 DIOJOCARQQZEDG-NRQJVULDSA-N 352.471 4.096 0 1 FIAF COC(C)(C)[C@H](O)CC[C@H](C)[C@H]1CC[C@H](C)c2c(O)cc(C(=O)O)cc21 2356837227 LIILIPZHPPPYFU-FHKFTOANSA-N 364.482 4.274 0 1 FIAF Fc1cc(F)c(-c2ncoc2-c2ccc3nnc(C4CC4)n3c2)cc1F 3963024 FQYLLZWNUOSCFS-UHFFFAOYSA-N 356.307 4.346 0 1 FIAF CN(C(=O)c1ccccc1Cl)C1(C(=O)NC2CCCC2)CCCCC1 4019290 CLPHSGGEFWKUEO-UHFFFAOYSA-N 362.901 4.174 0 1 FIAF Oc1c2c(nn1-c1ccccc1)c1ccccc1c[n+]2Cc1ccccc1 6575275 BQGBYYQHEBTTPK-UHFFFAOYSA-O 352.417 4.220 0 1 FIAF O[C@H]1c2cccc3cccc(c23)C1(Cc1ccncc1)Cc1ccncc1 27897439 UMIBYDUQSGLTED-QHCPKHFHSA-N 352.437 4.400 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2Cc1ccccc1 29547012 AOTHPBKOMYVVMW-DOIPELPJSA-N 353.437 4.135 0 1 FIAF CCCCCC[C@H](CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 40979430 JMUDIKBUGNBIFY-QWHCGFSZSA-N 367.964 4.037 0 1 FIAF CCOC(=O)c1ccc(-c2cnc(N)c(-c3nc4cccc(C)c4[nH]3)c2)cc1 45324783 HMLLMUGFTSGNKW-UHFFFAOYSA-N 372.428 4.359 0 1 FIAF CC(C)CNc1ncnc2c1nc(C1CCCCC1)n2C[C@@H]1CCCO1 82177985 QPHJXUXRNAWSDN-INIZCTEOSA-N 357.502 4.121 0 1 FIAF Cc1nc2c(S(=O)(=O)c3ccccc3)c(N)c3cc(F)ccc3c2s1 84669930 HMDRPVUGQKBXEW-UHFFFAOYSA-N 372.446 4.312 0 1 FIAF COc1ccc(-c2cc(NC(=O)CCCCN3CCCCCC3)n[nH]2)cc1 84740990 LZQMVVGBOPZASC-UHFFFAOYSA-N 370.497 4.070 0 1 FIAF C(=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2ccccn2)cc1)\c1ccccc1 100106791 KZMQAQRVOGOYSS-IFZJLCOISA-N 367.496 4.192 0 1 FIAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccnc1 100703569 JKYGEJNZMMBBSN-CQSZACIVSA-N 368.462 4.293 0 1 FIAF NCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101061044 HKONLYZKJHOXAP-AERCQKQUSA-N 372.459 4.025 0 1 FIAF CNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 101105913 NHTWPKUCTUYFEM-WPYKKVEZSA-N 368.521 4.263 0 1 FIAF in-vivo CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(C)o1 103684847 WYQQDENVAPAZQC-CQSZACIVSA-N 357.435 4.410 0 1 FIAF CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2cc(Cl)ccc2Cl)no1 148273872 PKUGIQHQVVQVKH-FYJGNVAPSA-N 365.220 4.453 0 1 FIAF c1ccc(CNC[C@@H]2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 473154372 GQYRZFAINHVYIL-QHCPKHFHSA-N 359.469 4.483 0 1 FIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN(C)Cc4ccccc4)[C@H]3C=C12 504187712 XXGSVFUSBZGYSU-WKHFQEMYSA-N 351.490 4.353 0 1 FIAF biogenic CCc1c(C2CCNCC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989331 FFEMILBNEZGPCB-UHFFFAOYSA-N 358.441 4.181 0 1 FIAF Cc1ccc2c3c(cc(-c4cc(C(=O)O)n(C)c4)nc13)-c1ccccc1C2=O 587098657 RMCKGHAUZMYJPD-UHFFFAOYSA-N 368.392 4.458 0 1 FIAF COc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1Cl 587164819 BWDKNGHTSRFBDP-UHFFFAOYSA-N 356.788 4.276 0 1 FIAF Cc1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 587199043 XOCADTFDRLQQLK-UHFFFAOYSA-N 356.429 4.397 0 1 FIAF NC(=O)Nc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 587243090 DXZACFNVXOBJBS-UHFFFAOYSA-N 354.719 4.393 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(cccc3OC)C1)CC2=O 587485138 ZRNUUSQXXRNQDO-QFIPXVFZSA-N 352.430 4.246 0 1 FIAF Cc1ccnc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512713 OLXKJWGKMSLFBV-QFIPXVFZSA-N 364.445 4.022 0 1 FIAF COc1cc(F)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570679 XFEBAVBXMDYALK-GHTZIAJQSA-N 366.344 4.243 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Cl)n1 587608883 AIKAGYHUHFJJPH-CZUORRHYSA-N 359.790 4.205 0 1 FIAF CC[C@H](C)n1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587755593 BACVFKJZDKORNR-VGTOOOLASA-N 366.278 4.379 0 1 FIAF Cc1cncc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587772683 GANSXVQFKTVNOK-SGTLLEGYSA-N 363.274 4.500 0 1 FIAF COc1ccsc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587843648 JLIYQCQJBAWLMJ-XLKFXECMSA-N 356.260 4.282 0 1 FIAF Cc1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587854786 UAZAMMSQKOIBHN-NXSYQRQQSA-N 355.276 4.285 0 1 FIAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(I)cnc3[nH]2)C1 587968573 FHORQLBUWBWQPB-NXEZZACHSA-N 369.250 4.492 0 1 FIAF Cc1ccc2c(c1)-c1ccccc1[C@H]2NC(=O)NC(=O)c1ccccc1F 653787412 JSTUMKDLOONFHJ-HXUWFJFHSA-N 360.388 4.344 0 1 FIAF COc1cc(OC)cc([C@]2(C)c3cc(OC)ccc3CCN2C(C)C)c1 962089426 JACOGICAFHPXFA-JOCHJYFZSA-N 355.478 4.242 0 1 FIAF CCCCCCN1CCC2(CC1)NCCc1c(OC)ccc(Cl)c12 963270175 NSOLRYGKRAYXQI-UHFFFAOYSA-N 350.934 4.366 0 1 FIAF COc1ccc([C@@H]2[C@@H]3C=CC=C[C@H]3C(=O)N2c2ccc3nc[nH]c3c2)cc1 1772642356 LZSCUGXGMFTCOP-DBXWQHBBSA-N 357.413 4.018 0 1 FIAF Cc1c(F)cc(NC(=O)C2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 1857592988 XTYNXODTWATHQR-UHFFFAOYSA-N 374.431 4.392 0 1 FIAF Cn1cc(CN2CCC3(CC2)OCCc2sccc23)c2ccccc21 1857654053 ROEMOYTZFRCLKA-UHFFFAOYSA-N 352.503 4.304 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(CO)=CC[C@@H]1C(C)(C)CCC[C@]12C 2356520799 ZGAUBBFDXXEMAC-RCOXNQKVSA-N 350.499 4.012 0 1 FIAF Cc1c(-c2nc3ccccc3c(=NCCN3CCCC3)[nH]2)[nH]c2ccccc12 2382242116 DJUFOULNLHFLMJ-UHFFFAOYSA-N 371.488 4.016 0 1 FIAF CCc1nnc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)s1 4125262 RYVBDPBAMYBOBJ-UHFFFAOYSA-N 369.475 4.006 0 3 FIAF Clc1cccc(-c2ncnn2-c2ccc(Br)cn2)c1Cl 753673 HLGGRURCMKPWHD-UHFFFAOYSA-N 370.037 4.399 0 1 FIAF CN(C(=O)c1ccc(OCCCC(=O)O)c(Cl)c1Cl)C1CCCC1 1616769 ZYIVNXUEKHUUQO-UHFFFAOYSA-N 374.264 4.252 0 1 FIAF CCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 6930212 AZNFPMJCOBIJCI-UHFFFAOYSA-N 368.502 4.258 0 1 FIAF COc1c(C(=O)C[C@H](OC)c2ccc3c(c2)OCO3)ccc2occc12 14677187 RANWLOKZQCJYQF-SFHVURJKSA-N 354.358 4.131 0 1 FIAF biogenic CNCCC(=O)N1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@@H]1C 28771239 YCLPCWPHUSRTMT-ZDUSSCGKSA-N 355.869 4.051 0 1 FIAF CC(C)c1ccc(S(=O)(=O)N[C@H](C)Cc2c[nH]c3ccccc23)cc1 28820482 DRUKCDBJSKTKTR-OAHLLOKOSA-N 356.491 4.201 0 1 FIAF CC(C)Oc1ccc(C(=O)N(Cc2ccccc2Cl)[C@H]2CCNC2)cc1 28823629 PXWUXUQDTWMHMK-SFHVURJKSA-N 372.896 4.132 0 1 FIAF COC(=O)[C@@H](C)[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 34801374 JABZAHXSNKLWRQ-KGKPZEGNSA-N 373.537 4.051 0 1 FIAF Cc1ccc(C)c(N2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)c1 72101281 CYRWLCYBDBEHAD-UHFFFAOYSA-N 365.452 4.420 0 1 FIAF CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3ccccc3F)n2)C1 82068769 HOKXGYIJUBDBTN-VLIAUNLRSA-N 359.445 4.397 0 1 FIAF CNC(=O)[C@@H](OC)c1cccc(COc2cc(Cl)cc(Cl)c2)c1 103199577 BBGFVXYXLCGNDA-INIZCTEOSA-N 354.233 4.006 0 1 FIAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ccc2c1 116231973 CNSXSBHPCWLUCI-UHFFFAOYSA-N 360.417 4.321 0 1 FIAF COc1ccc(OCc2cc(C)ccn2)c(-c2ccc3c(c2)CCNCC3)c1 205441780 NEKARSRXGYDKMG-UHFFFAOYSA-N 374.484 4.333 0 1 FIAF C[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@H]12 473093991 URFLWVUVBMNHGM-YSDAECDYSA-N 356.528 4.463 0 1 FIAF O[C@H]1CC[C@@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 586898771 KHBKAZRFGXWZAT-OTSSQURYSA-N 363.177 4.363 0 1 FIAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(F)cnc4[nH]3)ccc12 586918822 QHNLCWFYKDDNNE-UHFFFAOYSA-N 367.380 4.125 0 1 FIAF N[C@H](Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Br)cc1 586998149 YELMMOJSOGKHPQ-GFCCVEGCSA-N 350.647 4.221 0 1 FIAF CC(=O)c1ccc(-c2cc(-c3nc4cccc(C(N)=O)c4[nH]3)ccc2F)cc1 587139367 HSCGFZBDZYUQFC-UHFFFAOYSA-N 373.387 4.338 0 1 FIAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587172198 ZJGICXXZUOZMLF-LLVKDONJSA-N 364.467 4.001 0 1 FIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1SC 587409937 OHKBJCOEFSLFMT-MRXNPFEDSA-N 359.447 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C)c(Br)c1)[C@@H](C2)C3=O 587411541 DFOWYTHIGOSFFK-LIRRHRJNSA-N 373.246 4.429 0 1 FIAF COc1cc2c3c(c1)OC1(CCN([C@H](C)c4ccccc4)CC1)[C@@H](C2)C3=O 587438714 QTJZEODADFQRQQ-BEFAXECRSA-N 363.457 4.038 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cc1OC)CC2=O 587475681 BXMFAXRUZGPMIJ-NRFANRHFSA-N 356.418 4.243 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)O)[nH]c3ccccc13)CC2=O 587483496 MNKXVUUHKLXZQY-QGZVFWFLSA-N 365.385 4.231 0 1 FIAF C[C@@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587525976 XCAJBTAOQYQDKV-XCLFUZPHSA-N 366.413 4.124 0 1 FIAF C[C@]1(c2ccc(OC[C@H]3CO3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587536252 SUJKLAFZOVIZAJ-FDDCHVKYSA-N 364.441 4.224 0 1 FIAF CC[C@@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581290 VQVQYQQKVRKFGB-KNQAVFIVSA-N 361.397 4.242 0 1 FIAF Cc1[nH]c2ncccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589356 ODBJCOBZWXWBOP-WIYYLYMNSA-N 372.380 4.280 0 1 FIAF C[C@@]1(c2ncc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620356 YJORWRYNCHYNKY-RDTXWAMCSA-N 373.817 4.379 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cnc2ccccc2n1 587660482 FPYHCYSDLLNVCK-UHFFFAOYSA-N 368.371 4.135 0 1 FIAF CC(C)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 587792553 IYELSSSMZXFBGU-ABKXIKBNSA-N 353.235 4.323 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3[nH]ccc23)N1 587803870 QAVIULXPUCMKCC-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF Cc1ccccc1C(=O)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587813734 DPJVZOVKHDIJIX-GTNSWQLSSA-N 362.242 4.355 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Cl)s2)N1 587856243 WXLHQBZRTPOFIA-SREIQFSDSA-N 361.667 4.322 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(s2)CCC3)N1 587860097 ZUFDATJASVAPLE-VXJOIVPMSA-N 367.287 4.157 0 1 FIAF CC(=O)OC[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962704750 HIOAOPXOPFCUOG-OAQYLSRUSA-N 367.470 4.206 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(CCC(c3nc(C)no3)CC2)N1 962961519 XNINCRRFJDFDGY-FAGJFJLWSA-N 350.466 4.337 0 1 FIAF Cc1cc(NC(=O)Cn2ccc(-c3ccccc3)n2)n(C2CCCCC2)n1 1857592216 ZIXHBCUZRTYHKT-UHFFFAOYSA-N 363.465 4.199 0 1 FIAF CCC(=O)Oc1cc(O)c2c(c1)C=CCCCC(=O)CCC[C@H](C)OC2=O 1857627614 KOYRVRHKFDDVFR-AWEZNQCLSA-N 374.433 4.189 0 1 FIAF Clc1cccc(Cn2cnc(-c3cc(-c4cnn[nH]4)ccn3)c2)c1Cl 1857774710 OGSFPCGWKSBHTF-UHFFFAOYSA-N 371.231 4.085 0 1 FIAF COc1ccc([C@](C)(O)c2nc(-c3ccccc3O)nc3ccccc23)cc1 1911586830 HBINVWAKHOVXJV-QHCPKHFHSA-N 372.424 4.267 0 1 FIAF CC(C)CCC1(CCC(C)C)C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O 13684047 CJHAWHHDXWQNTJ-OAQYLSRUSA-N 370.530 4.113 0 1 FIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ocnc2c1 13761439 HXRQZCLRSJMHTR-KRWDZBQOSA-N 350.462 4.431 0 1 FIAF C[C@@H](C(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26394176 GQECVTUOELTXTC-KWDAYGRISA-N 359.510 4.312 0 1 FIAF COc1ccnc(C[S@](=O)c2nc3c(-c4ccccc4)scc3[nH]2)c1 27520425 SXFAMTOWSJQQHA-RUZDIDTESA-N 369.471 4.003 0 1 FIAF O[C@@H]1c2cccc3cccc(c23)C1(Cc1ccccn1)Cc1ccccn1 27981956 YWOOQGDIOHNPJQ-HSZRJFAPSA-N 352.437 4.400 0 1 FIAF O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(-c2ccccc2)cc1 38444597 FUKKQWBBCLEYHV-UHFFFAOYSA-N 360.369 4.044 0 1 FIAF NCCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1 45324985 JXLKVMLCHPAVCS-UHFFFAOYSA-N 368.872 4.086 0 1 FIAF CCCN(CCC)C(=O)c1cccc(-n2sc3ccccc3c2=O)c1 64693591 LBEVVRZMSADXLM-UHFFFAOYSA-N 354.475 4.314 0 1 FIAF COc1ccc(CS/C=C/C[S@](=O)Cc2ccc(OC)cc2)cc1 73197643 UWKWFEJGMAIOMN-KOGVQQCSSA-N 362.516 4.400 0 1 FIAF CCCCNc1ncc(C(=O)N2CCCCC2)c(-c2cccc(C)c2)n1 82146003 YQXOIPDHOGOFPD-UHFFFAOYSA-N 352.482 4.290 0 1 FIAF COc1cc2c(c(OC)c1OC)-c1ccc3c(ccn3C)c1C(=O)CC2 169424112 LQAPEKWDGYWSBZ-UHFFFAOYSA-N 351.402 4.000 0 1 FIAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCC(N)=O)ccc12 205648675 YDGPTJQLYSGPNO-UHFFFAOYSA-N 362.260 4.118 0 1 FIAF COC(=O)[C@H](C)[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 299820289 JABZAHXSNKLWRQ-FZHXZPIDSA-N 373.537 4.051 0 1 FIAF CCOC(=O)[C@@H](F)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586985990 JCEQVKQEEHTAIV-SFHVURJKSA-N 365.360 4.034 0 1 FIAF Clc1cnc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587029900 VIDGSTUHGHMLQJ-UHFFFAOYSA-N 366.837 4.133 0 1 FIAF Fc1ccc(-n2nnc(-c3nc4cc(F)cc(F)c4[nH]3)c2C2CC2)cc1 587168872 QBRZVIDMGAXELQ-UHFFFAOYSA-N 355.323 4.105 0 1 FIAF C[C@]1([C@@H]2CCCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361040 XGFBYNRFAZQVKZ-YFZFPPMRSA-N 356.393 4.076 0 1 FIAF CCO[C@H](C)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442914 ZSLRIRLKOITHEQ-XJDIIYGHSA-N 352.430 4.456 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OCC)[C@H](C)C1)CC2=O 587476924 BOEMEPUJDJZKGM-YPENRWOSSA-N 360.450 4.048 0 1 FIAF O=C1CC2(CCN(CCC(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 587501327 RSLYLIZJEAIFCD-UHFFFAOYSA-N 367.411 4.318 0 1 FIAF COCOc1ccc(OC)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521690 DYFXDXNOMRBQLA-OAQYLSRUSA-N 368.429 4.263 0 1 FIAF CNc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587580635 TUOUSTVKLNIOMS-UGKGYDQZSA-N 361.397 4.311 0 1 FIAF CCn1cccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587754741 MLBBGJYHJBMGRZ-GTNSWQLSSA-N 351.263 4.207 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccoc3cn2)N1 587777458 HWHGJXGHBMRMFO-XYZCENFISA-N 361.214 4.353 0 1 FIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 587783918 CCAHJTAHVSOMDW-MNOVXSKESA-N 362.216 4.208 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccncc23)N1 587800596 BUQLHASQVAXXPG-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF CC(=O)CC[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815112 YNZORHPIMRTJFT-GTNSWQLSSA-N 356.279 4.343 0 1 FIAF CC[C@]1(CC(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815729 PFZJXZWOBZBGTN-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF C[C@@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1ccc(C(F)(F)F)n1 587874051 PDGYJKBZAOWUIQ-QMMMGPOBSA-N 366.274 3.912 0 1 FIAF COc1ccc(-c2cnc3c(NC(=O)C(C)(C)C)snc3c2)cc1OC 653774591 UAZQAAQFNDGUMV-UHFFFAOYSA-N 371.462 4.360 0 1 FIAF CC(C)c1nn(C)c2c1[C@H](c1c(Cl)c(C=O)cc3ccccc13)NCC2 962915905 WBBRGPJNZRNDMA-NRFANRHFSA-N 367.880 4.398 0 1 FIAF Cc1ccc2c(c1)CCCN2[C@H](C)[C@]1(C)NCCc2c1c(C(C)C)nn2C 962917592 ZYIHDFSMNPWPAI-HXOBKFHXSA-N 366.553 4.054 0 1 FIAF Cn1c(C(=O)Nc2ccc(COc3ccncc3)cc2)cc2sccc21 1772576866 XEBXOXCGPMBYGP-UHFFFAOYSA-N 363.442 4.466 0 1 FIAF C/C(=C\CC[P@](=O)(OCOC(=O)C(C)(C)C)Oc1ccccc1)CO 1857559918 LBCULEITAVDXKT-RBZVCHSGSA-N 370.382 4.151 0 1 FIAF CCN1Cc2sc(NC(C)=O)c(-c3nc4cnccc4s3)c2C[C@H]1C 1857599630 YHUNLAFJULVKMR-SNVBAGLBSA-N 372.519 4.145 0 1 FIAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)C(=O)[C@H](C)[C@@H]2C(C)(C)CCC[C@]23C)CO1 2356740926 UPPVCQPPDGQFKZ-QKJAKYAGSA-N 364.526 4.355 0 1 FIAF Brc1cccc([C@H]2C[C@@H](c3cccs3)N3NN=NC3=N2)c1 2914118 PJXUIJLKCZVQMF-NEPJUHHUSA-N 362.256 4.240 0 1 FIAF Cc1ccc2nc(NC(=S)NC(=O)c3ccccc3Cl)sc2c1 4776817 PQROHSRGYWGRJJ-UHFFFAOYSA-N 361.879 4.385 0 1 FIAF CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)NCn1cc(-c2ccccc2)nn1 17261355 IAPQUATXEHBRED-SUMDDJOVSA-N 356.470 4.090 0 1 FIAF O=C(CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13)c1ccco1 26652397 YBXNDQIEEVILNJ-MZKRTTBSSA-N 365.473 4.317 0 1 FIAF CCCCC(=O)OCc1c(C)nc2c(OCc3ccccc3)cccn12 27997668 FZHAQYHVADEAQU-UHFFFAOYSA-N 352.434 4.455 0 1 FIAF CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)nnc1O 34842471 UCWVDJLQXJXVEB-UHFFFAOYSA-N 357.193 4.032 0 1 FIAF O=c1cc(Cc2c(F)cccc2F)nc(SCCCc2ccccc2)[nH]1 40402896 AUXYFNBSAJWTJL-UHFFFAOYSA-N 372.440 4.364 0 1 FIAF O=C1NCCN1C(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49114365 FUMAWGCTIQYSIB-ZDUSSCGKSA-N 355.265 4.209 0 1 FIAF O=c1cc(Cn2ccnc2)c2ccc(Oc3ccc(Cl)cc3)cc2o1 66111624 SMXDRHMBJXRNSL-UHFFFAOYSA-N 352.777 4.484 0 1 FIAF Fc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140129081 XHVFFVHYOIEBSN-UHFFFAOYSA-N 356.404 4.435 0 1 FIAF [C-]#[N+]c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1 147475580 FUFVLKMZXUVZMY-UHFFFAOYSA-N 372.833 4.115 0 1 FIAF O=c1oc(-c2ccccc2)cc(O)c1SCc1ccc2c(c1)OCCO2 169721596 SINWSMZELBFKDU-UHFFFAOYSA-N 368.410 4.076 0 1 FIAF O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1CCCc2ncsc21 220891982 XFSUJLOYRDBHLR-GFCCVEGCSA-N 355.290 4.229 0 1 FIAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(C2CCCCC2)n1 299860093 ZNWQDUBLZSIJBM-GOSISDBHSA-N 369.465 4.250 0 1 FIAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(Br)c(O)c3[nH]2)cc1 586889353 MQPBCTYPXFDWPN-BONVTDFDSA-N 361.239 4.177 0 1 FIAF Oc1c(Br)ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587084158 IDNUTCOJQRAARU-UHFFFAOYSA-N 364.630 4.159 0 1 FIAF COC(=O)[C@@H]1CCc2nc3c(C)ccc4c3c(c2CC1)-c1ccccc1C4=O 587098304 QGBUSGYOBMYNHS-AWEZNQCLSA-N 371.436 4.423 0 1 FIAF NC(=O)c1cccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587162423 AWJYSZXMHSFKCV-PTNGSMBKSA-N 363.417 4.451 0 1 FIAF O=C(O)Cc1c(-c2ccco2)nc2cccc3c2c1-c1ccccc1C3=O 587206342 ISFOZGRUDJFZMF-UHFFFAOYSA-N 355.349 4.333 0 1 FIAF C[C@@]1(Cc2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339968 RLBCCZFPYYRXTA-UNMCSNQZSA-N 363.388 4.287 0 1 FIAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccccc1N)[C@@H](C2)C3=O 587433275 PTPBAEMHRCSIJS-CYFREDJKSA-N 371.436 4.163 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c[nH]1)CC2=O 587461733 YFQOAGYQSOLUJD-HNNXBMFYSA-N 350.212 4.142 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](Cn1ccnc1)(c1ccccc1)CC2=O 587468784 BABVMIRQBGJHPM-QFIPXVFZSA-N 362.429 4.102 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)CCCCC(=O)OC)CC2=O 587477806 HESNRQWUVSUYPR-LHSJRXKWSA-N 362.466 4.438 0 1 FIAF CCc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587615120 VWTSIJMAIATKOO-VQIMIIECSA-N 353.399 4.114 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(C)(C)C(=O)O)N1 587831268 WULPEKNGCVHRFE-QGHHPUGFSA-N 372.278 4.229 0 1 FIAF CCOC(=O)c1ccc2nc(C/C=C/c3ccc(OC)cc3OC)[nH]c2c1 587928424 BZLBMICPJVBHOZ-AATRIKPKSA-N 366.417 4.013 0 1 FIAF COc1cccc(-c2cc(O)cc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)c1 587932421 DZLQYQDLQQKADF-UHFFFAOYSA-N 374.396 4.382 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CCc4ccc(OC)cc4C3)nc2c1 587936458 CXIXEZFFYJNQAY-GFCCVEGCSA-N 370.836 4.284 0 1 FIAF NCC(F)(F)[C@@H]1CCC[C@@]2(C1)c1ccsc1CCN2Cc1ccco1 962714394 VYKNXVIIYXZRHD-RDTXWAMCSA-N 366.477 4.379 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@@](C)(c3ccc(F)c4ccccc34)c3cccc1c32 963038570 WIJQLQUEOJGKJA-FATZIPQQSA-N 360.432 4.296 0 1 FIAF CCOc1cc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)ccc1F 2382237924 OKCQXGBWMGZAQG-UHFFFAOYSA-N 371.368 4.106 0 1 FIAF OCc1cc(-c2ccccc2OCc2ccc(Br)cc2)no1 13536222 KVFRLDRPPMYCGX-UHFFFAOYSA-N 360.207 4.175 0 1 FIAF Cc1noc2c1[C@H](c1ccc(N(C)C)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 17511639 CORQTGWNVYPLKB-RBUKOAKNSA-N 351.450 4.272 0 1 FIAF Cc1ccc(Cc2cnc(SCCCCc3ccccc3)[nH]c2=O)cn1 27313485 QDEWYVDNWWWYCO-UHFFFAOYSA-N 365.502 4.179 0 1 FIAF O=C1Nc2ccc(Cl)cc2C1(c1ccc(O)cc1)c1ccc(O)cc1 28883998 CAGNTOOUEJMVHF-UHFFFAOYSA-N 351.789 4.038 0 1 FIAF C[C@@H]1CCCN1CCc1ccc2nc(-c3cn4c(n3)SCC4)ccc2c1 49112382 UWCNFUQEKWPTHW-OAHLLOKOSA-N 364.518 4.231 0 1 FIAF CC(=O)c1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1 66124329 CFLPIPHSGIPRBN-UHFFFAOYSA-N 360.369 4.033 0 1 FIAF O=C(Nc1ccc(-n2cccc2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12 73139879 CLIXCERVQNXWBF-UHFFFAOYSA-N 363.804 4.433 0 1 FIAF CCOc1ccc2cc(-c3nn(C(C)(C)C)c4ncnc(N)c34)ccc2c1 84722555 BJNUCAZGXXFVAJ-UHFFFAOYSA-N 361.449 4.382 0 1 FIAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN32 100912704 RQTWPNKOATVIPT-SKXYVWFGSA-N 352.261 4.033 0 1 FIAF Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4ccccn4)n3n2)c1 116156918 RKERQEKFTWWCEY-GOSISDBHSA-N 359.408 4.272 0 1 FIAF in-vitro CN1[C@H]2CC[C@@H](OC(=O)C3c4ccccc4CCc4ccccc43)[C@H]1CC2 138374403 SJHRBTYUWMPDTL-STZQEDGTSA-N 361.485 4.086 0 1 FIAF Fc1cc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2cc1-n1cccn1 587080666 OIVWAICWLXVJMI-QGZVFWFLSA-N 354.772 4.217 0 1 FIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587113517 MJAWGDHORUOZFH-NSHDSACASA-N 374.288 4.238 0 1 FIAF Cc1cnc2[nH]c(/C=C/c3cccc(I)c3)nc2c1 587184169 PFQZBLFVRNOOBR-AATRIKPKSA-N 361.186 4.041 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(F)(F)F)O2 587381400 IDGPIUZQDKCPBL-INIZCTEOSA-N 351.324 4.225 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1ccc(Cl)s1)O2 587411264 RZHNDZDJUFVEKV-HPFMTEOYSA-N 362.882 4.228 0 1 FIAF C[C@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587526188 QCYSXSWZGYLLAP-HSZRJFAPSA-N 361.441 4.331 0 1 FIAF C[C@]1(Cc2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611383 IFRVTWNEKMBHGZ-YLJYHZDGSA-N 352.411 4.417 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2F)N1 587725081 NEVVJJMURYKNCN-VVVCHXIZSA-N 368.221 4.231 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)OC(C)(C)C)N1 587790187 GIEOUOUYRUIKGI-BTDLBPIBSA-N 372.278 4.069 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 587825469 DSXLKRICURVCMU-IXGPKGCPSA-N 366.274 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2N)N1 587841324 AOKARWMMYORRGN-VXJOIVPMSA-N 355.276 4.030 0 1 FIAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587847277 KAFROQDNTWLCFM-VXJOIVPMSA-N 356.260 4.282 0 1 FIAF COc1cccc(-c2cc(O)cc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)c1 587933347 MNOSMDJGQKYLPU-UHFFFAOYSA-N 360.369 4.309 0 1 FIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587934667 DQNZITMKPJBQDU-BCTVWOGZSA-N 352.768 4.340 0 1 FIAF CCc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587956911 LXMKRRPONSDWKJ-UHFFFAOYSA-N 350.418 4.102 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1c(N)sc(C)c1C)C1CC1 963633461 IKJWWEUEUYGANE-FIKIJFGZSA-N 372.534 4.152 0 1 FIAF COc1ccc(-c2nc(-c3ccnc(C)c3)c3n2C[C@@H](C)OCC3)cc1F 1772615861 WIUZGXDWVAOSPN-CQSZACIVSA-N 367.424 4.029 0 1 FIAF COC(=O)CCCCCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 1857554757 SUPKAFZLDYRKEV-HXUWFJFHSA-N 365.901 4.392 0 1 FIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CCC(C)=CCO)[C@@](C)(O)CC[C@H]2C1(C)C 2356438371 CLXJESZSIVHFGY-GVMRPCBKSA-N 366.542 4.240 0 1 FIAF CO[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@]12C 2356441672 AKWYEFNEYNPFKW-LGZVPWNVSA-N 360.450 4.402 0 1 FIAF CSc1ccc(CN2CC[C@]2(C)C(=O)N[C@H]2CCc3ccccc32)cc1 253779088 LXODSPSAKYHCCS-RBBKRZOGSA-N 366.530 4.177 0 3 FIAF CCOC(=O)[C@H](C)N1C(=O)CS[C@@H]1c1cccc(Oc2ccccc2)c1 3639525 LGUROHQUYAYSDQ-IFXJQAMLSA-N 371.458 4.005 0 1 FIAF Cc1ccc(-c2nnn3c2nc(NCc2ccco2)c2ccccc23)cc1 6738892 YVHJBIXUPVZEQP-UHFFFAOYSA-N 355.401 4.458 0 1 FIAF O=C(c1ccccc1F)N(Cc1cccc(OC[C@H]2CCCO2)c1)C1CC1 14974741 SEKWSISYYIARGA-LJQANCHMSA-N 369.436 4.188 0 1 FIAF O=S(=O)(O)O[C@H](CCc1ccccc1)Cc1cccc2ccccc12 26152312 JOKPTNDRFXLHHR-LJQANCHMSA-N 356.443 4.203 0 1 FIAF CC(C)c1ccc(-c2ccccc2Cl)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26839399 HKCTYZKXOAMQGS-HUUCEWRRSA-N 361.869 4.389 0 1 FIAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@@H]12 27524144 FXWZKNUSMJAEKJ-YGZTWIEUSA-N 356.506 4.410 0 1 FIAF C[C@@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1 28824246 MIAURGNSNSBTNK-HXUWFJFHSA-N 372.465 4.395 0 1 FIAF NC(=O)c1csc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1 38345354 MNJFIVNZRQTGJX-UHFFFAOYSA-N 364.348 4.475 0 1 FIAF Nc1c(C(=O)NCc2ccco2)sc2nc(-c3cccs3)ccc12 39932536 NQYMOTAWXUEQPS-UHFFFAOYSA-N 355.444 4.130 0 1 FIAF CCC[C@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]13 40373816 ILZGABAAVFSXBX-VQROGVPDSA-N 353.506 4.066 0 1 FIAF Cc1cc(C)c(Oc2ccc(=O)n(Nc3ccc(Cl)cc3)n2)c(C)c1 72118380 RHBIAVWBUGPTAN-UHFFFAOYSA-N 355.825 4.489 0 1 FIAF COc1cccc([C@@H](C)Nc2cc(-c3cc(OC)ccc3OC)ncn2)c1 82162369 ALJFGCWZHHHKPV-CQSZACIVSA-N 365.433 4.343 0 1 FIAF CCC[C@]12CCN(C)[C@@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 84690466 WSCLPRQUHNBBNR-IFMALSPDSA-N 365.477 4.447 0 1 FIAF CCc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)C(C(=O)O)C(=O)O)cc1 95577414 QGPSHGKDTUMNAB-INIZCTEOSA-N 374.820 4.044 0 1 FIAF O=P(O)(O)[C@@H](O)c1cccc(-c2cccc(C3CCCCC3)c2O)c1 96285007 LOLLSFQJSJUGKS-LJQANCHMSA-N 362.362 4.276 0 1 FIAF COc1cc([C@H]2CC(c3ccccc3)=NN2C(C)=O)cc2[nH]c(=S)oc12 96934822 MTWMZUIDZHSMTM-MRXNPFEDSA-N 367.430 4.197 0 1 FIAF CC[C@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2CC 102187165 JVCVLJBXDJSIPA-MPGHIAIKSA-N 351.874 4.056 0 1 FIAF O=C(c1cccnc1Oc1ccc(Nc2ccccn2)cc1)N1CCCC1 139379294 WXIPXKBERUARNQ-UHFFFAOYSA-N 360.417 4.249 0 1 FIAF CCCCOc1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726081 IPCIWJQQUNQAEN-MSOLQXFVSA-N 364.470 4.097 0 1 FIAF Cn1c(-c2ccc(Br)cc2)cs/c1=N\C(=O)c1ccccc1 207453224 WJOIIFZVKWMQNY-ZPHPHTNESA-N 373.275 4.257 0 1 FIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@]3(C)CC)nc2c1 586888440 JHFIAIIUHSRZJA-MGPLVRAMSA-N 351.244 4.406 0 1 FIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccnc(O)c2[nH]1 587035110 OFWFQFNODUGBTP-CYBMUJFWSA-N 366.446 4.149 0 1 FIAF CCOc1n[nH]c(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1Cl 587065818 ZZBJMLWHYLPLDN-UHFFFAOYSA-N 369.650 4.384 0 1 FIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587069219 GANADXYYSQFPER-NSHDSACASA-N 369.774 4.400 0 1 FIAF CCOC(=O)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587105642 CFKYZBPDZLPVIA-CYBMUJFWSA-N 357.409 4.114 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc(C)c1Br)O2 587382716 UFQGQKBOLGSSCQ-AWEZNQCLSA-N 364.214 4.494 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC1CCOCC1)(c1ccccc1)O2 587414466 VJDYKOWGZVIWCS-QFIPXVFZSA-N 351.446 4.255 0 1 FIAF CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC 587440552 HDFUJMWNLLIJGH-ZHRRBRCNSA-N 368.429 4.155 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCc4csc(SC)c41)[C@@H](C2)C3=O 587451919 PKILKEGRJYLQPK-ORAYPTAESA-N 358.484 4.458 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3[nH]cnc(Cl)c1-3)CC2=O 587460920 LDGGLNVSTVZCAT-IBGZPJMESA-N 371.824 4.102 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)cnc1N)CC2=O 587464115 ISDZUCASDQEODF-HNNXBMFYSA-N 366.339 4.047 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)nc1F)CC2=O 587472489 RSMMBHPUARNCGH-GOSISDBHSA-N 370.424 4.186 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COC)c1)CC2=O 587476253 ACKZVNBCZCKMAW-FQEVSTJZSA-N 356.418 4.206 0 1 FIAF CC[C@@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571560 QHMSRWBHZVLGBK-NQIIRXRSSA-N 365.360 4.193 0 1 FIAF CNc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587745955 XXPRKVOPIKGIKC-BBATYDOGSA-N 363.274 4.428 0 1 FIAF CCCCc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587796052 ZUXVYCUCIFSYEC-BMLIUANNSA-N 366.278 4.278 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)C2(C)C)N1 587817083 HZBLDHLNGHSRBC-BMLIUANNSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCCC2OCCO2)N1 587832254 JEFQBAKKPSXRKJ-BDJLRTHQSA-N 372.278 4.097 0 1 FIAF NC[C@]1(c2c(F)cccc2Cl)NCCc2cc(-c3ccccc3)ccc21 962674398 WPFPWLLFGYAKMT-QFIPXVFZSA-N 366.867 4.494 0 1 FIAF CCOC(=O)[C@]12CCCC1=C[C@]1(C2)NCCc2c(Cl)cc(Cl)cc21 963103764 GOUOCXPJMDSGFL-RBUKOAKNSA-N 366.288 4.398 0 1 FIAF COc1ccc2c(c1)[C@H](C[C@@H]1CCOC1)N(Cc1ccc(F)cc1)CC2 963300753 IHGMDDZXOMCBSZ-JTSKRJEESA-N 355.453 4.360 0 1 FIAF COc1ccc(-c2cnc3ccc(=NCc4cccc(Cl)c4)[nH]n23)cc1 1857610154 GZGVNTDSQDEWOS-UHFFFAOYSA-N 364.836 4.092 0 1 FIAF Cc1cc(OCCN(C)C)cc2c1[C@@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@H]1C=C2 1857618463 ILXJTEJGVQLLHQ-VAWZGJIGSA-N 353.506 4.441 0 1 FIAF COc1cc(C)cc2c(-c3ccc4c(c3)[C@](C)(O)N[C@@H](C)C4)ccc(O)c12 2356570457 JEHKHSWADGIQQX-PSLXWICFSA-N 363.457 4.229 0 1 FIAF COc1ccccc1C(=O)[C@H]1CCCN(Cc2ccnc3ccccc23)C1 11938619 HFJQKCHIXGAUTG-SFHVURJKSA-N 360.457 4.338 0 1 FIAF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@@H]21 13783454 VQHQLBARMFAKSV-PPGORRQASA-N 356.462 4.400 0 1 FIAF C[C@H]1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2)CC1 13860160 YZIQGQQLUDYLKK-KRWDZBQOSA-N 366.480 4.406 0 1 FIAF O=C(Nc1ccc(F)cc1)[C@@H]1C(=O)N2c3ccccc3Oc3cccc1c32 26168859 SWKDJILZEIQZET-GOSISDBHSA-N 360.344 4.332 0 1 FIAF CC(C)[C@@H](C)CC(=O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27879505 OWLLXGOHMSBAOZ-ULZZIOJFSA-N 368.514 4.226 0 1 FIAF C[C@](O)(CSc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 28022515 FKBZJDKKIOLKJH-INIZCTEOSA-N 356.274 4.475 0 1 FIAF O=C(O)c1cc(-c2cn(Cc3ccc(F)cc3)cc2-c2ccccc2)n[nH]1 33818795 UYBDGMZOPHQOFZ-UHFFFAOYSA-N 361.376 4.431 0 1 FIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1ccc[nH]1 34315782 VZUZYJRNXGEFQV-SUVAXSPTSA-N 366.505 4.111 0 1 FIAF O=C(NC1Cc2ccccc2C1)c1cc2sc(Cl)c(Cl)c2[nH]1 36177542 JATXYZPMRXZLHH-UHFFFAOYSA-N 351.258 4.433 0 1 FIAF O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cscn1 40934953 DQJOHKHTPLSPAB-UHFFFAOYSA-N 371.425 4.283 0 1 FIAF Cc1cccc(-c2nc(-c3ccc(C(N)=O)cc3)cn2-c2ccc(F)cc2)n1 43121844 FIZVXIIJZJVTOZ-UHFFFAOYSA-N 372.403 4.148 0 1 FIAF CCN(CCNCc1coc(-c2cccc(F)c2)n1)c1cccc(C)c1 72185050 PBAPCMAVYQZLNK-UHFFFAOYSA-N 353.441 4.405 0 1 FIAF CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3cccc(F)c3)n2)C1 82068882 JRPFBMYBYZBGRP-YWZLYKJASA-N 359.445 4.397 0 1 FIAF O[C@@H](c1cc(F)c(F)c(F)c1)c1nnc(Nc2cccc(Cl)c2)s1 82078076 RHOKIDWMXXCGKM-ZDUSSCGKSA-N 371.771 4.434 0 1 FIAF Cc1cccc(-n2nnc(-c3ccccc3)c2-c2ccc3nccnc3c2)n1 95584626 KQGQKQNVGARZRL-UHFFFAOYSA-N 364.412 4.248 0 1 FIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccccc2)cc1 100854130 LEBKYCACZVNCFN-AFBAPTOZSA-N 359.469 4.393 0 1 FIAF O=C(Nc1ccccc1)NC1C[C@H]2CCC[C@H](C1)N2CCc1ccccc1 100948930 AIIPUPRHGYIPLW-FGZHOGPDSA-N 363.505 4.436 0 1 FIAF O=C(NCCCc1ccc(Cl)cc1Cl)[C@@H]1CCc2ncsc21 220856310 KIDBFQHKPPYBMG-GFCCVEGCSA-N 355.290 4.229 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C[C@H]2CC[C@H]1N2C 253863714 IHKXUTSLFDCINU-ZHHKINOHSA-N 365.473 4.102 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 587005967 CCIUBTKXQHICBS-UHFFFAOYSA-N 372.222 4.262 0 1 FIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 587042585 NAKRLCATSGQBJA-LBPRGKRZSA-N 357.401 4.202 0 1 FIAF CCOC(=O)C[C@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105666 DGGCIJJGSUPXDM-QGZVFWFLSA-N 373.408 4.072 0 1 FIAF CCOC(=O)[C@H]1c2nc3cccc4c3c(c2C[C@@H]1C)-c1ccccc1C4=O 587107697 TYUPHDWODYPZSZ-KPZWWZAWSA-N 357.409 4.285 0 1 FIAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)ncc3[nH]2)c1F 587151974 JHMJBXKLMQITQP-DTWKUNHWSA-N 350.166 4.270 0 1 FIAF O=C(OCc1ccccc1)N1CCO[C@@H](c2cc3c4c(cccc4n2)CC3)C1 587213500 WOYGYJCBRRWCOD-OAQYLSRUSA-N 374.440 4.044 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587420326 FRXXLTDXDPWIIS-HNAYVOBHSA-N 362.347 4.463 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1ccc(C)cc41)[C@@H](C2)C3=O 587436671 ADCKAOFGCLUVQD-SBUREZEXSA-N 359.425 4.464 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]ccc1Br)CC2=O 587458258 QGAMMLBIZJDFIN-CQSZACIVSA-N 350.212 4.142 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ccc1OCOC)CC2=O 587477715 GAIXTDZPEJDJFH-HXUWFJFHSA-N 372.417 4.043 0 1 FIAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(C)c1C 587575573 FYCIUMKYQOXKNR-KNQAVFIVSA-N 363.413 4.359 0 1 FIAF CC(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)no1 587588283 SEBQZQSEODCEGU-XLIONFOSSA-N 351.358 4.207 0 1 FIAF CC(C)(CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O 587601658 FBZYURIVPHTJFO-KKSFZXQISA-N 370.401 4.004 0 1 FIAF CC(C)c1ccccc1NC(=S)n1ncc2ccc(Cl)cc2c1=O 587654081 HKXVYPGZRLVDCC-UHFFFAOYSA-N 357.866 4.418 0 1 FIAF CC(C)c1nn(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587767285 XXYQPXGVYGSTMF-QGHHPUGFSA-N 366.278 4.069 0 1 FIAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(C(=O)O)cc4[nH]3)c2)c1 587933075 UJSNJXXYDQVCFG-UHFFFAOYSA-N 360.369 4.309 0 1 FIAF CC(C)(C)CC[C@@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705445 NRDFZVKRPWUDKF-RHSMWYFYSA-N 361.379 4.485 0 1 FIAF CCC[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963604010 DGRAUMCOSGHBCZ-IVZQSRNASA-N 355.478 4.290 0 1 FIAF Cc1cc(N)nc(CCc2cc(CCCN(C)C)cc(C(F)(F)F)c2)c1 1772644220 CTKGSJUPWJLHAK-UHFFFAOYSA-N 365.443 4.270 0 1 FIAF CCOc1ccccc1NC(=O)CSc1c[nH]c2ccc(OC)cc12 2382248365 CZUKSSVYCOTPEL-UHFFFAOYSA-N 356.447 4.306 0 1 FIAF CCOc1ccc(CCNC(=O)c2cc3ccsc3n2C)cc1OCC 198386026 GGPNMPNHCRJGNH-UHFFFAOYSA-N 372.490 4.010 0 3 FIAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(Cl)cc3)C[C@H]1C=N2 3989590 KSZGARMFOWMJOF-HNNXBMFYSA-N 368.820 4.329 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4c5nonc5CC[C@]4(C)[C@@H]3CC[C@]12C 5711858 BAZMQTKNLZZEHX-KSRMIIDBSA-N 358.482 4.274 0 1 FIAF CC[C@](C)(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 13834609 PESFADVCQDQRNO-NRFANRHFSA-N 367.497 4.113 0 1 FIAF CCCN(CCC)[C@@H]1COc2c(cccc2C(=O)c2ccccc2OC)C1 29342693 LSRCVTDWTWEDND-SFHVURJKSA-N 367.489 4.352 0 1 FIAF Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@@H]2c2ccc(F)cc2)cc1 43010164 HXRAAZYXPJURRL-QUCCMNQESA-N 372.465 4.426 0 1 FIAF [O-][n+]1nc2c(-c3ccsc3)cnn2c2cc(Oc3ccccc3)ccc21 43022744 QXNNZZZNBOJIPY-UHFFFAOYSA-N 360.398 4.037 0 1 FIAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1N1CCNCC1 45334775 VOSGTDWWMMUJII-UHFFFAOYSA-N 365.264 4.047 0 1 FIAF O=C1OC2(CCN(c3nc4cc(Cl)c(F)cc4[nH]3)CC2)c2ccccc21 45506561 WVYXEXFDXWLPTB-UHFFFAOYSA-N 371.799 4.022 0 1 FIAF C[C@H]1Cc2c([nH]c3cc(Cl)ccc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 49050692 TZIGXNATHZDTPE-ZRNGKTOUSA-N 372.255 4.205 0 1 FIAF O=C(/C=C\c1ccccc1)Nc1cccc(C(=O)NCCc2ccccc2)c1 73003212 XGLHBFBGBIMUAM-PFONDFGASA-N 370.452 4.311 0 1 FIAF Cc1cnc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCOCC3)c2)[nH]1 73160262 VSDXGCTVWYRYCN-UHFFFAOYSA-N 373.456 4.361 0 1 FIAF CC(C)(NC[C@@H](O)Cn1c2c(c3ccccc31)CCCC2)c1ccccc1 73196117 VTJOYWRIYLVMOK-LJQANCHMSA-N 362.517 4.406 0 1 FIAF COc1ccc([C@@H](c2ccncc2)c2cc3c4c(c2)CCN4C(=O)CC3)cc1 95593452 HBGOJLPUGWUXFV-QHCPKHFHSA-N 370.452 4.106 0 1 FIAF O=S(=O)(c1ccc(Oc2ccc(Cl)cc2O)cc1)N1CCCCC1 95604201 HDRHYFCZHCCRDP-UHFFFAOYSA-N 367.854 4.013 0 1 FIAF CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(OC)cc1 103266132 RDWJCDLOKOGGAP-UHFFFAOYSA-N 366.505 4.070 0 1 FIAF CCc1c(C)[nH]c2c(-c3ccccc3)c(Cc3ccc(OC)cc3)nn2c1=O 104478423 XYBZHWOMLOFCMV-UHFFFAOYSA-N 373.456 4.160 0 1 FIAF CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@H](C)[C@H]2CC[C@@H]34)C1 153116527 YSQXNYTXRLVCMC-XOMJMLIKSA-N 372.597 4.464 0 1 FIAF COC(=O)[C@]1(/C=C2/c3ccccc3[C@@H](OC)[C@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 195369413 ASIWMRFKVKKMJP-PGGAXZLASA-N 362.425 4.125 0 1 FIAF COc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1-n1cnc(C)c1 207697607 LUWKNOZCOHZTLD-FRKPEAEDSA-N 365.820 4.335 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(F)c(F)c(F)c2[nH]1 586964304 XOCMQNWWDQUINV-SECBINFHSA-N 354.357 4.028 0 1 FIAF COc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1F 587023400 PASJNLABDJGLJC-UHFFFAOYSA-N 364.402 4.181 0 1 FIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccnc3[nH]1)N2 587031093 LLYIABDPIKJOBB-VPMLRQHESA-N 371.491 4.085 0 1 FIAF Cc1c(Br)cnc2[nH]c(CCc3ccccc3Cl)nc12 587059057 LQTROTAZOIDPCM-UHFFFAOYSA-N 350.647 4.467 0 1 FIAF Fc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587183518 DDGGJXJALQSWLK-QPJJXVBHSA-N 364.161 4.477 0 1 FIAF COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1SCC(=O)O 587216863 OZKWCZSGUBXDMK-UHFFFAOYSA-N 351.427 4.186 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc(C)c(C)c1)O2 587388081 VSYRNVNONIHQFH-HYGBKTPJSA-N 350.462 4.130 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cscc1Br)O2 587412205 HYDPKZFAQBCUDT-OAHLLOKOSA-N 352.253 4.282 0 1 FIAF COc1cc2c3c(c1)O[C@H]([C@H](C)c1cccc(Br)c1)[C@@H](C2)C3=O 587417804 MHQXGARSKWEFPH-RSXSOOJNSA-N 373.246 4.377 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc(C(=O)OC)cc1)CC2=O 587477147 FMNLQEPEIFGQHJ-MRXNPFEDSA-N 368.429 4.098 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCCOC)CC2=O 587477529 CVCVQFFJEQRZEZ-OAQYLSRUSA-N 370.445 4.467 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(C(=O)OC(C)(C)C)c1)CC2=O 587477775 VAEOYJLCRKEZET-KRWDZBQOSA-N 372.421 4.031 0 1 FIAF O=C(c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C1CC1 587621819 KKDCOPRKZWMMCT-UHFFFAOYSA-N 372.144 4.418 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(O)c(F)c2)N1 587718350 ISDREJNFWVFXOO-NZFNHWASSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2ccn3C)N1 587760125 XIHLOXRUJLNKIP-ZMZPIMSZSA-N 363.274 4.041 0 1 FIAF CC(C)Cn1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587764786 QXFZOEOCWQCZOE-GTNSWQLSSA-N 366.278 4.064 0 1 FIAF Cc1ccc2[nH]nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587798683 VFEXHBCPNVJLKG-BTDLBPIBSA-N 374.257 4.397 0 1 FIAF CCCNC(=S)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587860496 YLLNEXUCOUEVQZ-UHFFFAOYSA-N 358.294 4.388 0 1 FIAF CN1CCc2c(Br)cccc2[C@H]1C1=Cc2cc(O)ccc2OC1 963280157 NJWKZBTUKIVRSG-LJQANCHMSA-N 372.262 4.160 0 1 FIAF O[C@H](CNCC1(c2cccs2)CCCC1)COc1ccc(Cl)cc1 1857647607 ADMRYWSAQYUTRH-MRXNPFEDSA-N 365.926 4.243 0 1 FIAF CC[C@H]1CN(Cc2ccccc2)c2cc(-c3cncnc3)ccc2N1C(C)=O 1857762721 DNPDFQOIMWICRC-NRFANRHFSA-N 372.472 4.295 0 1 FIAF CC1=C[C@H](CNC(=O)C(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356286585 GXNWYVRSDATVSX-KSZLIROESA-N 368.525 4.127 0 1 FIAF CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)c2ccccc2)C=C1C 2356318324 GHHRBUZDFCHYTF-ZCNNSNEGSA-N 357.494 4.224 0 1 FIAF COc1ccc(C[C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@H]2C)cc1OC 2356549865 HZLWUWRGPZGQLG-BFSXNFSYSA-N 370.445 4.387 0 1 FIAF CC(=O)OCC=C(C)CC[C@H]1OC(=O)C(CCC=C(C)C)=CC[C@]1(C)O 2356668090 CZYBEMYHXJMNRC-CTNGQTDRSA-N 364.482 4.015 0 1 FIAF Cc1nc2ccccc2c2oc(C(=O)Nc3ccc4c(c3)OCCO4)cc12 4901827 ZMGGRWUPMGKAOG-UHFFFAOYSA-N 360.369 4.313 0 3 FIAF CN(C(=O)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1)c1ccccc1 61903960 ZGCPXPLSQLKLNK-LJQANCHMSA-N 364.832 4.369 0 3 FIAF C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NC(=O)c1cccc(Cl)c1 205709126 AECKIOHWWYZTLY-GCQDIAHQSA-N 374.912 4.030 0 3 FIAF Cc1ccccc1S(=O)(=O)Nc1cc(-c2ccccc2)sc1C(=O)O 3648511 BACMTCNFHNDMIM-UHFFFAOYSA-N 373.455 4.223 0 1 FIAF c1ccc2c(c1)[C@H]1CC(c3nccs3)(c3nccs3)[C@@H]2c2cccc[n+]21 26646542 UZNZNYQYGSURPX-MSOLQXFVSA-N 374.514 4.312 0 1 FIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3CCC3)CN(C)[C@H]1C2 27518933 BQSCTKYJXPGTLS-PBEJRMEISA-N 366.505 4.278 0 1 FIAF CC(C)=CC[C@](C)(O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27889018 JKZODUNXNSYOAN-CYPWRKRPSA-N 368.514 4.082 0 1 FIAF CN1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)CC1 29337856 QYTDTLITUGNHTH-UHFFFAOYSA-N 361.533 4.454 0 1 FIAF CCCN(CCc1ccccc1)CCc1ccc(O)c2nc(O)ccc12 29477530 VSTCETTUZXQIDU-UHFFFAOYSA-N 350.462 4.143 0 1 FIAF COc1cccc(COc2ccc3sc4c(c3c2)NC[C@@H](C)NC4=O)c1 42967247 URPBNNONUNUVHW-GFCCVEGCSA-N 368.458 4.033 0 1 FIAF O=c1cc(NCCCN[C@H]2CCc3ccc(Cl)cc32)[nH]c2ccccc12 45230736 XSWLSAWFPXGKLT-SFHVURJKSA-N 367.880 4.261 0 1 FIAF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(C)cc1 58506717 AHQIVJMZARILIG-SFHVURJKSA-N 357.251 4.455 0 1 FIAF CN1C(=O)[C@H](CN2CCCCC2)C[C@H]1c1ccc(-c2ccccc2F)cc1 72169782 GYFKLQQEFVYNDD-UGKGYDQZSA-N 366.480 4.498 0 1 FIAF Brc1ccc(COc2ccc3c(c2)CCc2nccn2-3)cc1 95593952 PFWFRRVQIVTSJX-UHFFFAOYSA-N 355.235 4.312 0 1 FIAF O=C(N[C@H]1CCOc2ncccc21)C1(c2ccc(Cl)cc2Cl)CC1 206040428 ZUXATJFOHNDEQH-HNNXBMFYSA-N 363.244 4.060 0 1 FIAF c1ccc(-c2csc(=Nc3cccc(-c4nc5cnccc5[nH]4)c3)[nH]2)nc1 587021427 NFPMBKNFEQRVHZ-UHFFFAOYSA-N 370.441 4.309 0 1 FIAF O=C(c1ccccc1)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 587039907 GRRFZJGXWUNYKJ-UHFFFAOYSA-N 358.426 4.094 0 1 FIAF N[C@H](N=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587061602 WCKLZBQBZNYOPI-OAHLLOKOSA-N 353.769 4.262 0 1 FIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc3c(cc2[nH]1)OCO3 587076716 ZXTVCAIJDUWWRF-UHFFFAOYSA-N 352.781 4.106 0 1 FIAF FC(F)(F)c1ccccc1Cc1nc2cc(Br)ncc2[nH]1 587098133 NRTDIHZQJQWNGZ-UHFFFAOYSA-N 356.145 4.330 0 1 FIAF O=C(c1nc2c(Cl)ncc(F)c2[nH]1)c1c(Cl)ccc(F)c1Cl 587133658 YEVZIQVOWFZNAG-UHFFFAOYSA-N 362.550 4.427 0 1 FIAF CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1Cl 587368484 KRCNCQKMSVRDHM-UHFFFAOYSA-N 350.205 4.362 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC(C)(C)CC(=O)O)(c1ccccc1)O2 587409497 VWXSUKOOBXOJCP-QFIPXVFZSA-N 367.445 4.329 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cl)c1O)CC2=O 587458627 DBIAGGOBEQETSS-MRXNPFEDSA-N 362.809 4.419 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(COc3ccc(Cl)cc3C1)CC2=O 587460728 HMCPGPFFBJXHGU-FQEVSTJZSA-N 358.821 4.337 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccc(F)cc3)c1)CC2=O 587469609 BAKGJTQIQZSKLU-HXUWFJFHSA-N 366.392 4.376 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1Cl 587544793 OAIYNVVMHSKNJF-OXJNMPFZSA-N 368.772 4.454 0 1 FIAF CCC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586966 MKKHOVOUTFLFAN-UGKGYDQZSA-N 361.397 4.444 0 1 FIAF CCCn1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587757375 VBOLVDLBKPYYPD-DIFFPNOSSA-N 351.263 4.423 0 1 FIAF Cc1c[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790100 HDAAUUAAVZKFEZ-BTDLBPIBSA-N 351.263 4.331 0 1 FIAF CC[C@]1(c2cccc(O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587832561 JXUTZUPRPKUPFK-ADLMAVQZSA-N 364.258 4.482 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccnc1Cl 587867986 GEKHNCWUPWLQIR-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF COC(=O)c1cc(Br)c2[nH]c(Cc3cc(C)ccc3C)nc2c1 587959235 NXCLRBVAUKNGED-UHFFFAOYSA-N 373.250 4.320 0 1 FIAF CC[C@]1(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)CC(=O)c2ccccc2C1 587959773 HTHRQLZLDNYVMS-OAQYLSRUSA-N 366.392 4.168 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(OC)cc2)(c2ncc[nH]2)N1 962958017 ZUPGDGUCGUCSAZ-MWTRTKDXSA-N 372.472 4.116 0 1 FIAF CC(C)n1ccc(C[C@]2(C)c3ccsc3CCN2Cc2cccnc2)n1 963003885 DUQIVMOGZVBLBZ-OAQYLSRUSA-N 366.534 4.437 0 1 FIAF FCCOc1ccc2c(c1)CCN(CC[C@H](F)Cc1ccccc1)CC2 1857565220 PJGARBUOELYXKL-NRFANRHFSA-N 359.460 4.406 0 1 FIAF O=C(O)c1cc2c(Nc3ccc(F)c4[nH]c(C(=O)O)cc34)ccc(F)c2[nH]1 2382217723 MTIAPCLICCACEO-UHFFFAOYSA-N 371.299 4.067 0 1 FIAF Cc1cc(C)n(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1 2382249455 RAFVQPVOIRJYSQ-UHFFFAOYSA-N 355.405 4.052 0 1 FIAF FC(F)Oc1ccc(COc2ccc3c(-c4ccccn4)noc3n2)cc1 206054650 BLPXQHGVSJAJDP-UHFFFAOYSA-N 369.327 4.465 0 3 FIAF CSc1ccc2c(c1)c(Cl)c(C(=O)N(C)c1ccccc1)c(=O)n2C 28004315 DCAYSVQDYGZDKV-UHFFFAOYSA-N 372.877 4.190 0 1 FIAF Clc1ccccc1-c1nc(CN2CCN(Cc3ccccc3)CC2)co1 64399373 IDWUAGDHFLEBTH-UHFFFAOYSA-N 367.880 4.313 0 1 FIAF CO/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1 73199134 UQVBZJQGYKXSDS-GDNBJRDFSA-N 350.187 4.214 0 1 FIAF CCN(CC)CCOc1ccc2ccc(OCCN(CC)CC)cc2c1 82155361 XLEOSWKMQOGEHE-UHFFFAOYSA-N 358.526 4.281 0 1 FIAF CN1C(=N)N[C@](c2cccc(-c3cc(Cl)cc(Cl)c3)c2)(C2CC2)C1=O 84601998 JOMOYZHFIMBZBT-IBGZPJMESA-N 374.271 4.262 0 1 FIAF CCc1[nH]c(Cc2cc(OC)c(OC)c(OC)c2)nc1-c1ccccc1 95583706 WIZGGMQLHVVHOU-UHFFFAOYSA-N 352.434 4.256 0 1 FIAF CC(C)c1cccc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)c1 147887451 DUCUIRXEVXZKPK-UHFFFAOYSA-N 361.445 4.151 0 1 FIAF CC1(C)OC(c2ccccc2)(c2ccccc2)C(=O)N(c2ccccc2)C1=O 169344268 LQUJBUBQDKYNAR-UHFFFAOYSA-N 371.436 4.299 0 1 FIAF CCCC[C@](C)(O)C1=CC[C@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@@H]3C1 169373281 OULNYHNCKOSAJM-MLCQCVOFSA-N 355.522 4.168 0 1 FIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 586909602 YVCYJRKOJKIQMH-MRVPVSSYSA-N 363.186 4.045 0 1 FIAF CCn1cc(Br)c(Cc2nc3cc4ccccc4cc3[nH]2)n1 587000415 NIEVNBLKKGHTTJ-UHFFFAOYSA-N 355.239 4.286 0 1 FIAF CC(C)[C@@H](c1nc2ccc(O)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198928 QZJIJAOZRSHRIH-SFHVURJKSA-N 353.422 4.234 0 1 FIAF COc1cccc(-c2cc(-c3c[nH]c(=O)cn3)nc3c2oc2ccccc23)c1 587362904 JIVDYZIYFYICOD-UHFFFAOYSA-N 369.380 4.407 0 1 FIAF COc1cc2c3c(c1)O[C@@H](/C(=C/N(C)C)c1cccc(Cl)c1)[C@@H](C2)C3=O 587418555 JCTRSKHHTXZHBH-CFDSWCKNSA-N 369.848 4.067 0 1 FIAF C[C@]1([C@H]2CC2(Cl)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540819 BURPSRMTVVDUNS-JKIFEVAISA-N 365.212 4.306 0 1 FIAF COc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587558483 SOQXYYWAPQUOND-RXVVDRJESA-N 366.344 4.243 0 1 FIAF O=Cc1ccc(OCCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587566527 RFCBHNDLRRTRHE-UHFFFAOYSA-N 352.287 4.155 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(F)cc1Cl 587573254 YPJJYOPMMORKRC-HNAYVOBHSA-N 371.751 4.283 0 1 FIAF CNc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587745941 XTSVDRVZGYYUDL-BBATYDOGSA-N 363.274 4.428 0 1 FIAF Cc1ccccc1C(=O)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587816111 UNYZXUGWLCPFLV-APPDUMDISA-N 362.242 4.355 0 1 FIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(Br)cc3[nH]2)cc1 587934323 CDIWDJPBZAVUCO-HWPZZCPQSA-N 361.239 4.171 0 1 FIAF O=C(NCc1ccccn1)c1ccc(-c2cccc(C3CCNCC3)c2)cc1 1772592299 HSDNQPAFAHECFK-UHFFFAOYSA-N 371.484 4.146 0 1 FIAF CCOc1ccc(Cl)cc1-c1cc(C(=O)NCc2cccs2)[nH]n1 61903280 IWNVRVUULLWXJB-UHFFFAOYSA-N 361.854 4.120 0 3 FIAF COCCNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl 13438014 NMMUPISIPKSYHD-UHFFFAOYSA-N 353.249 4.422 0 1 FIAF CCCCC[C@H](O)CCCCC[C@@H](Cc1cc(O)cc(O)c1)OC(C)=O 14772330 IYNSMFCFWBKXEB-RXVVDRJESA-N 366.498 4.464 0 1 FIAF biogenic CCCNc1nccc([C@@H]2CCCN(CCc3c[nH]c4ccccc34)C2)n1 40900029 IEGZIQZAYQOURF-GOSISDBHSA-N 363.509 4.202 0 1 FIAF in-vitro Cc1ccc(NC(=O)c2ccncc2)cc1Nc1nc(-c2cccnc2)c[nH]1 40915044 FYOSYDULSRCSNA-UHFFFAOYSA-N 370.416 4.171 0 1 FIAF O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCCC3)cc(O)c12 45352194 UVGCEDKRIKBJGN-UHFFFAOYSA-N 365.429 4.030 0 1 FIAF COc1ccc(Nc2cc3c(cn2)nc(-c2ccccc2)n3C)c(OC)c1 82083012 VNRDXRBRBZPINB-UHFFFAOYSA-N 360.417 4.396 0 1 FIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccsc2)C2=C(O)CCCC2=N1 100639914 JLKRBWJEVMIQHP-KDOFPFPSSA-N 373.474 4.279 0 1 FIAF COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@@H](C)N)cc1 164966375 RFVFHKLYSVILJI-LLVKDONJSA-N 350.443 4.438 0 1 FIAF CC(C)N(C=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 169713967 LTWNPNPVOVXRJF-WCBVEAOTSA-N 374.569 4.085 0 1 FIAF C/C=C(/C)C(=O)OC[C@@H](O)COC(=O)CCCCCCCCC(C)C 205169968 HNPJJKNQIKKJJL-DHZGIHDZSA-N 356.503 4.177 0 1 FIAF CCc1oc2ccccc2c1-c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 586904382 UFXYWQWPDLYWTF-UHFFFAOYSA-N 354.431 4.332 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3cc(C)cc(F)c3[nH]2)cc1 586969956 CHQJJVKUDUKKSR-UHFFFAOYSA-N 357.454 4.233 0 1 FIAF CCOc1n[nH]c(-c2nc3cc(Cl)cc(C)c3[nH]2)c1Br 586979184 JDGHLFWUXYMRLF-UHFFFAOYSA-N 355.623 4.076 0 1 FIAF COC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccsc3)nc2c1 587024723 AYFXHUGTVSPRNV-NSCUHMNNSA-N 363.236 4.344 0 1 FIAF CC(C)c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587276915 UMCKSTNNWIVNRG-UHFFFAOYSA-N 374.234 4.437 0 1 FIAF COC[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353649 ZQVUODHHJAADBW-UNMCSNQZSA-N 370.420 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCCC3)c(N)c1)O2 587398455 HKOUZNJCTCAMFU-QFIPXVFZSA-N 365.477 4.030 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4ccccn4)c1)[C@@H](C2)C3=O 587435148 DGFGQOYIAMXTMG-CVDCTZTESA-N 373.408 4.158 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccccc1F 587569920 SYXWVEHOLAASDT-MOPGFXCFSA-N 350.345 4.104 0 1 FIAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12 587585114 BCEPLRHASGPFFC-XMSQKQJNSA-N 372.380 4.051 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(N)c2)N1 587720073 RAJNKAZYSCUSBK-XYZCENFISA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)c(F)c2)N1 587724503 INGPXPBQUDNLRW-XYZCENFISA-N 367.237 4.107 0 1 FIAF Cc1ccncc1CC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587775652 SSOWKTIRUIHYEV-XIKOKIGWSA-N 363.274 4.500 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c[nH]nc3c2)N1 587789926 BZXXCZSXEYGOHR-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF Cc1c[nH]c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 587807455 XEORMDYXFCWTDK-DYZYQPBXSA-N 374.257 4.397 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1c[nH]c2ccccc12 587872035 HKPSJAILTLIJJK-UHFFFAOYSA-N 363.392 4.452 0 1 FIAF Cn1cnc(-c2cc(NC(=O)Nc3nccs3)cc(C(F)(F)F)c2)c1 653764467 QVLIRLCNXYKTNQ-UHFFFAOYSA-N 367.356 4.206 0 1 FIAF O=C1N/C(=C/Cl)Nc2scc(-c3ccc(Br)cc3)c21 958054875 VQUUZLVVHKVCLC-YHYXMXQVSA-N 355.644 4.371 0 1 FIAF Cc1cc2c(cc1F)[C@]1(CCc3c(Br)ccc(F)c31)NCC2 962090266 IAJKEEOGZDVNDY-SFHVURJKSA-N 364.233 4.371 0 1 FIAF CN(C)C1([C@H]2c3ccsc3CCN2Cc2cccn2C)CCCCC1 962398987 OTKHDMIJMSYDSG-HXUWFJFHSA-N 357.567 4.451 0 1 FIAF COc1ccc2c(c1)[C@H](c1cc(C)nn1C)N(Cc1ccc(F)cc1)CC2 963301053 KMJUGLGLWQYPLJ-JOCHJYFZSA-N 365.452 4.024 0 1 FIAF O=C1CCC=CC[C@H](c2ccc(-c3ccncc3)cc2)C(=O)OCCCO1 2382235591 CLBBSBRPPBMKBJ-HXUWFJFHSA-N 365.429 4.049 0 1 FIAF O=C(OCCc1cc2ccccc2c(=O)o1)c1ccc(C(F)(F)F)cc1 36388920 ULUGZZDDYWLYMV-UHFFFAOYSA-N 362.303 4.211 0 3 FIAF COc1cccc(NC(=O)[C@@]2(C)CCN2Cc2ccc3ccccc3c2)c1 61904952 RJGTZJHHWNVPFP-HSZRJFAPSA-N 360.457 4.452 0 3 FIAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(F)cc2)C1 8623867 QVTIOQSNQIVWMI-UYAOXDASSA-N 362.452 4.225 0 1 FIAF biogenic COc1cc(O)c2c(c1)O[C@@H](c1ccc(OCC=C(C)C)cc1)CC2=O 13334211 XTBZRPYCQNETRR-LJQANCHMSA-N 354.402 4.452 0 1 FIAF biogenic Cc1c(-c2ccc(F)cc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1 13799209 OLUIVMRSUSSFJF-UHFFFAOYSA-N 365.452 4.128 0 1 FIAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCO)ccc12 13864233 WILOTOOBDUXIPQ-UHFFFAOYSA-N 354.402 4.097 0 1 FIAF COc1ccc(C[C@H](C)[C@H](C)C(=O)c2ccc(OC)c(OC)c2)cc1OC 14646589 SRJOMSFZTGEQFM-GJZGRUSLSA-N 372.461 4.419 0 1 FIAF biogenic,in-vitro c1ccc(-c2cc(CNc3nccc(Nc4cc(C5CC5)n[nH]4)n3)on2)cc1 34641190 LPBXGPGUQAXEMV-UHFFFAOYSA-N 373.420 4.088 0 1 FIAF COc1cccc(NC(=O)N[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 72110928 ULPZXJXVYGXFLH-NRFANRHFSA-N 354.450 4.301 0 1 FIAF COc1ccc2c3ccccc3n(S(=O)(=O)c3ccc(C)cc3)c2c1 96937727 AZXTYICVMILQEQ-UHFFFAOYSA-N 351.427 4.349 0 1 FIAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccc(Cl)c1Cl 100912938 QJUURDMOAUOHOG-YHTUYAEUSA-N 352.261 4.033 0 1 FIAF O=C(NC[C@H]1CC[C@@H](CCOc2ccccc2)CC1)c1ccc(O)cc1 101145962 DIOZSGNEMONGCH-IYARVYRRSA-N 353.462 4.398 0 1 FIAF O=C(Nc1ccc(F)c(-c2nc3c(Cl)ccnc3[nH]2)c1)c1ccco1 103271494 CCEPKDOHCJAJCY-UHFFFAOYSA-N 356.744 4.263 0 1 FIAF Nc1nc2ccc(Cl)cc2n1C[C@H](O)c1cccc(Cl)c1Cl 169351100 WADBSUZEKGZBKU-ZDUSSCGKSA-N 356.640 4.312 0 1 FIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCCN(C(C)=O)C3)cc12 226063172 IGVXVVPZCZQIAY-AWEZNQCLSA-N 367.424 4.104 0 1 FIAF Cc1cc2c3ccncc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1 299829126 QFKBKBDWSBQPKB-UHFFFAOYSA-N 367.456 4.377 0 1 FIAF COc1cc(C(=O)c2ccn(-c3cccc(C)c3)c2)cc(OC)c1OC 299829867 SPFVIXMSJRUGPX-UHFFFAOYSA-N 351.402 4.043 0 1 FIAF COc1ccc(S(=O)(=O)Nc2ccccc2-c2cccc(F)c2)cc1 473090906 QGVQIIUJHNYGNB-UHFFFAOYSA-N 357.406 4.302 0 1 FIAF COc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1OC 586894971 IWEFUAGWPMOPEP-UHFFFAOYSA-N 360.413 4.406 0 1 FIAF CCOC(=O)Cc1nc2ccc(O)c3c2c(c1C1CC1)-c1ccccc1C3=O 586989991 TVMLARVLIJZCIE-UHFFFAOYSA-N 373.408 4.135 0 1 FIAF Fc1cc(Cl)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005243 DTNZBWJKBKCWAV-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587070121 PVLOQOYXGASZEU-VIFPVBQESA-N 354.797 4.175 0 1 FIAF CC(=O)NC1(c2nc3cc(Br)cc(F)c3[nH]2)CCC(C)CC1 587234115 GHWBYVFMNSKKQG-UHFFFAOYSA-N 368.250 4.006 0 1 FIAF C[C@]1(c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335739 MEILVTLSHPWUNA-RBBKRZOGSA-N 363.388 4.388 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(Cl)cc3)CC1)O2 587379773 KUCVQHNGSKNNEE-UHFFFAOYSA-N 356.853 4.235 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3cn(C)nc3c1)CC2=O 587479754 USGMCEBNSNQLGF-NRFANRHFSA-N 350.418 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)O)c3ccccc31)CC2=O 587490036 QCYMATCNNNMYDO-FPTDNZKUSA-N 366.413 4.167 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(C)cc1)CC2=O 587492975 ZUOCQVKKHLZHKJ-QFIPXVFZSA-N 368.429 4.379 0 1 FIAF C[C@@]1(c2cccc3[nH]ncc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592876 IAGZZRKBJADJHH-UGKGYDQZSA-N 372.380 4.146 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccccc1C2 587604306 SKBSXYSSHIIFTQ-OFNKIYASSA-N 358.393 4.282 0 1 FIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1cccc(C(F)(F)F)c1 587638484 YRIUEJLNCMHNER-UHFFFAOYSA-N 362.307 4.446 0 1 FIAF Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cs1 587661734 SNSDXZUOCJTHAJ-UHFFFAOYSA-N 364.401 4.261 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)CC(C)(C)C[C@H]2C 587822686 LYFXRHUQKVUWLC-PJYBLOJUSA-N 368.290 4.343 0 1 FIAF CC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832578 JYBVIENIDJMYTP-VOJFVSQTSA-N 364.258 4.482 0 1 FIAF CC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587850507 ZDYYZBBVPYSEBG-ZKANADHPSA-N 368.271 4.476 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccsc32)N1 587853664 AUASSJSWLDWLSF-ABKXIKBNSA-N 352.272 4.374 0 1 FIAF Cc1ccc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1 653821016 JPYANMJNIDAFLN-UHFFFAOYSA-N 354.479 4.059 0 1 FIAF COCCCN1CCc2ccc(OC)cc2[C@@H]1c1cc2ccccc2cn1 961325832 QDQZVDSQYOPDHB-HSZRJFAPSA-N 362.473 4.227 0 1 FIAF CCCCCCN1CCC2(CC1)NCCc1cc3cccc(OC)c3nc12 963058773 QNPUZTMYHSREJD-UHFFFAOYSA-N 367.537 4.261 0 1 FIAF Cc1cc(C)nc(SCC(=O)Nc2cccc(Cc3ccccc3)c2)n1 1772614131 FXZSRBKKKWZTRT-UHFFFAOYSA-N 363.486 4.415 0 1 FIAF COc1ccc2nc(-c3cccnc3-c3ccc(OC)c(OC)c3)[nH]c2c1 1857589093 LYNSONKSEAMKHK-UHFFFAOYSA-N 361.401 4.318 0 1 FIAF O=C(Nc1ccccc1)C1=C[C@H](C2CCCCC2)C[C@H](OCCCCO)O1 12482242 NKNQWGRORJPXNZ-GHTZIAJQSA-N 373.493 4.241 0 3 FIAF Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCCC1=CCCCC1 20580424 FJYZOQOUQOPZAK-UHFFFAOYSA-N 374.506 4.436 0 1 FIAF CN1CCN(C[C@@H]2C[C@@H]3c4ccccc4Sc4ccccc4[C@H]3O2)CC1 26662718 DYRUSALPYKCZDY-DKZVUGQWSA-N 366.530 4.012 0 1 FIAF CCOC1(OCC)[C@@H]2c3cc(Cl)ccc3[C@@H]([n+]3ccccc32)C1(C)C 27518456 FIOXJHIGIIFMOK-RTBURBONSA-N 358.889 4.471 0 1 FIAF Cc1cc(C)nc(N(CCN(Cc2ccccc2)C(C)C)C(=O)N(C)C)c1 27621685 QENOHGVZBONSTM-UHFFFAOYSA-N 368.525 4.097 0 1 FIAF CCCC[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5ccc(O)cc45)C(=O)C1)[C@H]32 27881626 WYUXUIQDOXJEKS-WYGDDPHOSA-N 352.478 4.335 0 1 FIAF C[C@@H]1N=C(S)N(Nc2cccc(Cl)c2)[C@H]1c1cccc(C(=O)O)c1 29331024 RMOFMQVZKGSODY-ZUZCIYMTSA-N 361.854 4.096 0 1 FIAF CC[C@H]1[C@H](C)C(=O)C[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 34347868 QFHHXPQTADJUKH-DMGHLFLOSA-N 367.533 4.312 0 1 FIAF CCCCCc1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)s1 35791604 DUTSXLGAHZCILX-UHFFFAOYSA-N 363.479 4.320 0 1 FIAF CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccccc1Cl 49112175 RNZARZIVIVVFRK-NRFANRHFSA-N 371.864 4.007 0 1 FIAF Cc1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1Cl 53186222 RBQPTMARORFSKO-UHFFFAOYSA-N 368.864 4.077 0 1 FIAF O=C(c1cnc(NC2CCCC2)nc1-c1ccccc1)N1CCCCC1 82133148 LLTZQSQEMBQRQE-UHFFFAOYSA-N 350.466 4.124 0 1 FIAF C[C@@H](O)c1ccc(-c2ccc3[nH]c4c(c3c2)-c2nc(N)ncc2CCC4)cc1 95586397 OAKIUVMSKQRXES-CYBMUJFWSA-N 370.456 4.416 0 1 FIAF COc1ccc(COc2cc(Nc3nccc(OC)n3)ccc2Cl)cc1 103248582 WOZDQWHLHHIHRV-UHFFFAOYSA-N 371.824 4.470 0 1 FIAF O=C1CCN([C@@H]2CCCC[C@@H]2OCCc2c(Cl)cccc2Cl)C1 142323541 KRCDDYNOSQYZRA-MSOLQXFVSA-N 356.293 4.139 0 1 FIAF COc1cccc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc(F)cc3)CC2)c1 149716563 OYQIVDKYECOYST-RZDIXWSQSA-N 358.413 4.346 0 1 FIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc2[nH]ccc2c1 167056465 QIHVDBLYIYTUQQ-KBXCAEBGSA-N 364.445 4.295 0 1 FIAF Cn1ncc2c(NC(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)cccc21 169704962 VWPBEOFJNRTTPX-ZBFHGGJFSA-N 352.413 4.170 0 1 FIAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=S)c2nc1NC(C)(C)C 206080348 SCMFHYFEMLZBFQ-SNVBAGLBSA-N 365.506 4.483 0 1 FIAF O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccccc3)cccc2c1 206116790 XRVYFGWUWWIMHE-UHFFFAOYSA-N 367.455 4.159 0 1 FIAF O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCC[C@H]3[C@H]2C(=O)N1c1ccccc1 263602486 MJDPELULEMYNCS-IONDEXAJSA-N 356.425 4.338 0 1 FIAF COc1cccc(-c2cc3cc(Br)cc(OC)c3oc2=O)c1 299829398 UFNIMQSHDOQCAF-UHFFFAOYSA-N 361.191 4.240 0 1 FIAF O=C1Nc2ccccc2/C1=C1\C(=O)N(c2ccc(F)cc2)c2ccccc21 299829511 LIJPUMNJMCINTJ-FMQUCBEESA-N 356.356 4.367 0 1 FIAF O=C(Nc1ccc2oc(-c3ccccc3)c(CO)c(=O)c2c1)c1ccccc1 299866174 OPBGSQGVUOTNOG-UHFFFAOYSA-N 371.392 4.205 0 1 FIAF O=C(CCc1ccc(-c2ccc(O)cc2)cc1)NC1=C(C(=O)O)CCCC1 473108049 LCBXCTBLTKPACW-UHFFFAOYSA-N 365.429 4.021 0 1 FIAF COC(=O)c1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2c1OC 586964457 ZYZDDTHFGIDYBE-GFCCVEGCSA-N 356.447 4.353 0 1 FIAF CCOc1n[nH]c(-c2nc3cc4ccccc4cc3[nH]2)c1Br 586979606 GKPLLRBYDYZDGS-UHFFFAOYSA-N 357.211 4.267 0 1 FIAF CC(C)(CC(=O)O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990649 MVKMXIWAMJRWJJ-UHFFFAOYSA-N 361.397 4.195 0 1 FIAF COc1ccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2n1 587076831 VPFGTCQNLGSNET-UHFFFAOYSA-N 370.796 4.162 0 1 FIAF CC(C)OC(=O)C1(c2nc3cccc(C(C)(C)C)c3[nH]2)CC(F)(F)C1 587131266 BEQKZIDZCCSMCN-UHFFFAOYSA-N 350.409 4.479 0 1 FIAF Cc1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br 587166469 CYIIFOCANSXAMV-VOTSOKGWSA-N 374.213 4.425 0 1 FIAF COc1cc(C)c(N)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 587249128 JFXJBULWOWSTPL-UHFFFAOYSA-N 350.191 4.031 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCCC4)c(F)c1)[C@@H](C2)C3=O 587427264 RMOZOXVRTRRVJD-KSFYIVLOSA-N 367.420 4.097 0 1 FIAF COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4-c4ccccc41)[C@@H](C2)C3=O 587447952 WZDUOWSYGRCCHM-CYFREDJKSA-N 368.388 4.201 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(OC)cc3C1)CC2=O 587475670 BUABABWATRBYMI-QFIPXVFZSA-N 352.430 4.246 0 1 FIAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1O 587501269 AZVPUNUPLWBZQA-NRFANRHFSA-N 356.393 4.299 0 1 FIAF O=C1C[C@@H](c2cnc3n[nH]c(Cl)c3c2)Oc2c1ccc1c2CCCC1 587501448 SICCODJBVJTMLW-INIZCTEOSA-N 353.809 4.197 0 1 FIAF CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(C)ccc21 587518440 IJSHOTVEQDLVGT-HSZRJFAPSA-N 361.441 4.101 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1F 587558691 SVPYVGLVCGNRLH-PXNSSMCTSA-N 354.308 4.373 0 1 FIAF Cc1cnc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587588855 MDDTXHDLUJJBBL-WIYYLYMNSA-N 372.380 4.280 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1NCCC2 587597113 SHVIRWZANYDXCI-CVDCTZTESA-N 373.408 4.453 0 1 FIAF COc1cccc(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597371 YWYOKFIPNDDKMH-SIKLNZKXSA-N 362.381 4.412 0 1 FIAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1C 587611412 IMBKLZIQHUUGCA-MAUKXSAKSA-N 353.399 4.168 0 1 FIAF Nc1c(-c2ncn(Cc3ccccc3)c2N)[nH]c2ccc(F)c(Cl)c12 587631541 FGTQCAVYWMTUCZ-UHFFFAOYSA-N 355.804 4.037 0 1 FIAF O=C(c1c(Cl)cccc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651231 OXJMBAZHUJNOTB-UHFFFAOYSA-N 353.592 4.045 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(O)cc2F)N1 587721957 XFCPDYMHSKNDCR-VGDKGRGNSA-N 372.184 4.196 0 1 FIAF COc1ccc(C=O)c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)c1OC 587786165 JBEUDACNPHLSEK-UHFFFAOYSA-N 368.286 4.218 0 1 FIAF CC(=O)C12CC([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)(C1)C2 587815720 PCUVONYUWIYRNE-URBWYCHHSA-N 366.274 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)COC3)N1 587837107 ZKQGKQZGGLRNEW-XTZNXHDOSA-N 362.242 4.242 0 1 FIAF COc1ccc(CCCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(OC)c1 587929129 RHGOQNIVYHAVLQ-UHFFFAOYSA-N 368.330 4.312 0 1 FIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587933957 BOTYSHWFOKACRA-UHFFFAOYSA-N 374.419 4.469 0 1 FIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(C(F)(F)F)c(F)cc4[nH]1)(C3)C2 587968407 CQPZXHQYOCQPFI-JIIRDLKHSA-N 352.331 4.368 0 1 FIAF Cc1cc2c(cc1F)[C@@](c1ccc(Cl)cc1)([C@@H](C)CC(=O)O)NCC2 962140917 AAMJTMJQLDQBKI-RBZFPXEDSA-N 361.844 4.288 0 1 FIAF CC(C)Cn1ccnc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962715296 SZFNFQIQNRIZSS-HNAYVOBHSA-N 359.514 4.131 0 1 FIAF O[C@@H](CNc1ccc(F)cc1)COc1cccc2[nH]c3ccccc3c12 1251082791 OZETUOOMRPHYDS-INIZCTEOSA-N 350.393 4.312 0 1 FIAF O=C(O)c1cccc(Cc2c(-c3ccsc3)nn3cc(Cl)ccc23)n1 1772637161 AKWLYOAQGIIADE-UHFFFAOYSA-N 369.833 4.400 0 1 FIAF CC(=O)O[C@@H]1C=C(C)CC[C@@H]2[C@](C)(CC=C(CO)C1)CC[C@]2(O)C(C)C 2356439156 GKQBGOCRINYHSS-YSFYHYPLSA-N 364.526 4.161 0 1 FIAF COc1cc(C)c(CCC(C)=CCc2cc(O)ccc2O)c(C)c1CO 2356440507 DTZFUCOWUPHKLW-UHFFFAOYSA-N 356.462 4.337 0 1 FIAF CC(=O)O[C@@H]1[C@H](O)C(C)=C(CCC(C)=CCO)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356484618 BIBTUYYDRZOYNN-NXLVEIQXSA-N 364.526 4.161 0 1 FIAF Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)s1 2356496901 RASUIWFLIAJZBN-ROUUACIJSA-N 369.534 4.113 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(CO)=CC[C@H]1C(C)(C)CCC[C@@]12C 2356520798 ZGAUBBFDXXEMAC-FIRPJDEBSA-N 350.499 4.012 0 1 FIAF CC(C)=CCC(=O)[C@H](C)CCc1cc(C(=O)O)cc(CC=C(C)CO)c1O 2356675291 PDDNBYGTBLAWHE-MRXNPFEDSA-N 374.477 4.066 0 1 FIAF O[C@H](c1cccc(OCc2ccccc2)c1)c1nnc(-c2ccccc2)o1 2659561 LOLWMDFPQUOWLY-HXUWFJFHSA-N 358.397 4.397 0 3 FIAF O=C(O)CCn1cc(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)nc1 36387387 JOPKEDNROZLCFB-UHFFFAOYSA-N 362.216 4.394 0 3 FIAF Cc1ccccc1NC(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)C(C)(C)C)C2 100980540 JELRSPJGLHCERQ-IRXDYDNUSA-N 357.498 4.075 0 3 FIAF COc1ccc(Cc2[nH]n3c(=O)cc(C(C)C)nc3c2-c2ccccc2)cc1 103746544 AQDAQWFEJITVAU-UHFFFAOYSA-N 373.456 4.412 0 3 FIAF O=C(COc1ccc(Cl)cc1)OCc1csc2c1C1CCN2CC1 2486184 YQYJXPOMRIVFPL-UHFFFAOYSA-N 363.866 4.221 0 1 FIAF CC(C)=CC[C@H](O)/C(C)=C/C=C/C(C)=C/[C@@](C)(O)C/C=C/C=C/C(=O)O 15117559 AJIPQLGQGAHQQV-CGIKTRLWSA-N 360.494 4.491 0 1 FIAF COc1ccc(-n2c(SC)nc3sc4ccccc4c3c2=O)cc1 28948971 JJGJVWZMEGZOID-UHFFFAOYSA-N 354.456 4.331 0 1 FIAF C[C@@H]1N=C(S)N(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C(=O)O)c1 29331015 RMOFMQVZKGSODY-BONVTDFDSA-N 361.854 4.096 0 1 FIAF CC1(C)COC(Cn2ccnc2)(c2ccc3c(c2)Cc2ccccc2-3)OC1 29348186 AFUQSCACSKWHPC-UHFFFAOYSA-N 360.457 4.380 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 33696848 ZOIUUCNFVDJSJK-GRQBZCBHSA-N 374.569 4.039 0 1 FIAF O=C(c1c(OCC2CCCCC2)oc(=O)c2ccccc12)C(F)(F)F 40956893 LEUFSYAWLZJCGO-UHFFFAOYSA-N 354.324 4.497 0 1 FIAF COc1cc2occ(-c3ccc(N4CCCCC4)cc3)c(=O)c2cc1OC 45339711 SPFRZWSEBSDBQB-UHFFFAOYSA-N 365.429 4.468 0 1 FIAF CCc1c(C)nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)nc1C 45496103 WQDSRUPITCFRKZ-INIZCTEOSA-N 365.861 4.227 0 1 FIAF COc1ccc(-c2ccc3ncc(-c4ccc(O)c(OC)c4)n3n2)c(C)c1 74385918 FFZNSUGSEQUTMB-UHFFFAOYSA-N 361.401 4.095 0 1 FIAF N=c1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c[nH]1 587015579 QSQCMSKJWQNZMB-UHFFFAOYSA-N 362.245 4.468 0 1 FIAF Fc1cc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2cc1-n1cccn1 587080665 OIVWAICWLXVJMI-KRWDZBQOSA-N 354.772 4.217 0 1 FIAF COC(=O)c1cc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2cc1OC 587085703 BQQTWBNYSLQAMX-UHFFFAOYSA-N 367.792 4.227 0 1 FIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587175396 RIMYODZSUGNPEW-LLVKDONJSA-N 364.758 4.357 0 1 FIAF Cc1cc(Br)cc2nc(Cc3c(F)cncc3Cl)[nH]c12 587176370 QGWVHAITJQQRDH-UHFFFAOYSA-N 354.610 4.412 0 1 FIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(F)cc(F)c3[nH]2)c1 587203336 LKFVRNUBTRWRCR-UHFFFAOYSA-N 372.375 4.358 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587233549 SBSMEYQWSMBTNX-WPRPVWTQSA-N 355.360 4.141 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cc(O)cc1Cl)[C@@H](C2)C3=O 587418706 AQYAYVVHFBCACY-BTDLBPIBSA-N 351.185 4.196 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1oc4cc(OC)ccc4c1C)[C@@H](C2)C3=O 587456664 XDEQTQDEOSHLCH-BTYIYWSLSA-N 350.370 4.247 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(O)c1Cl)CC2=O 587462337 YIWJDQHBRRFVOH-MRXNPFEDSA-N 362.809 4.419 0 1 FIAF O=C1C[C@@H](c2ccc(N3CCCC3=O)cc2)Oc2c1ccc1c2CCCC1 587515530 TWRHQTRRUQNJSO-NRFANRHFSA-N 361.441 4.399 0 1 FIAF C[C@@]1(c2cccc(N3CCC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587516179 ZIAZRSNTABFSNJ-QHCPKHFHSA-N 361.441 4.183 0 1 FIAF Cc1ccc(OC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593684 MRXFXYQFKHVBRL-WOJBJXKFSA-N 362.381 4.110 0 1 FIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1O 587609342 OJEDKTZEVPBGJU-PGRDOPGGSA-N 362.381 4.418 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Cl)c2F)N1 587725623 FPQHZPFTSWXQTC-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF CC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587835996 ZDPCCPAPEHCAHS-BBATYDOGSA-N 364.258 4.482 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCCO3)CC2)N1 587837613 JFKGIUIRNRBWTB-KAMYHZANSA-N 368.290 4.441 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587951933 KCQNXNWTWRMYKB-BLIXFSHQSA-N 371.525 4.442 0 1 FIAF COC(=O)[C@H]1CCc2occc2[C@@]12NCCc1cc(-c3ccccc3)ccc12 962659035 AEJCIAZWEAJWKM-ZJSXRUAMSA-N 373.452 4.071 0 1 FIAF Fc1ccc2c(c1)[C@]1(C=CO2)c2ccsc2CCN1Cc1cccnc1 962996930 PQLQEROSTADZOH-NRFANRHFSA-N 364.445 4.490 0 1 FIAF Fc1ccc2nc([C@H]3c4ccsc4CCN3Cc3cccnc3)[nH]c2c1 963000644 WBUJQRBRUCXNRP-LJQANCHMSA-N 364.449 4.306 0 1 FIAF CCO[C@@H]1C[C@@]2(c3ccsc3CCN2Cc2cccnc2)C12CCC2 963009307 LZPLSARYVGTSJE-TZIWHRDSSA-N 354.519 4.376 0 1 FIAF C[C@]1(c2nc(Br)cs2)c2ccc(F)cc2C[C@H]2CCCN21 963110521 VPEWADYYLSDBGJ-MLGOLLRUSA-N 367.287 4.329 0 1 FIAF C[C@@H]1C(=O)CCC[C@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832080 KRMHVLCZDLUJBR-GYCJOSAFSA-N 374.484 4.477 0 1 FIAF COc1cccc(F)c1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772599347 QPDBPIFUIBRDIO-CQSZACIVSA-N 359.328 4.235 0 1 FIAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCC(=CC(=O)O)CO 2356565195 RRINIBHGKGLNCO-DBXWQHBBSA-N 350.499 4.195 0 1 FIAF Cc1ccc(-n2c(C(=O)N3CC(F)(F)C3)cc3cccnc32)cc1Cl 2382219986 FPYIGISWUVRBLH-UHFFFAOYSA-N 361.779 4.078 0 1 FIAF CC(C)C(=O)N1CC[C@@]1(C)C(=O)Nc1cccc(Oc2ccccc2)c1 61903584 WIRTXOSBVDASDH-NRFANRHFSA-N 352.434 4.064 0 3 FIAF CCCOc1cccn2c(N(C)C(=O)c3ccccc3F)c(CC)nc12 61908934 ZCVOCYVXGPLKDH-UHFFFAOYSA-N 355.413 4.101 0 3 FIAF c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1 66156852 KGRWKIHBWPXUHQ-UHFFFAOYSA-N 362.414 4.094 0 3 FIAF COc1cccc(-c2n[nH]c3ccnc(-c4ccc(NC(C)=O)cc4)c23)c1 74388439 KHDKRDMABZNLPS-UHFFFAOYSA-N 358.401 4.259 0 3 FIAF CC(=O)O[C@H]1CC=C(C)[C@@H](COc2ccc3ccc(=O)oc3c2)C1(C)C 14447323 NIQOIGOWPAPYKM-MJGOQNOKSA-N 356.418 4.096 0 1 FIAF biogenic COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC 26670271 ILLZECXCYSSNDW-KRWDZBQOSA-N 356.853 4.268 0 1 FIAF CC1(C)[C@H]2CC[C@H](CN3CCC(N4C(=O)Cc5ccccc54)CC3)[C@@H]1C2 26748674 VBVYMUJWPFCVLU-HBFSDRIKSA-N 352.522 4.112 0 1 FIAF O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1C[C@@H]1CNc2ccccc21 28239757 UWNODOKMPURDDA-VGSWGCGISA-N 367.452 4.444 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](Cc1ccncc1)[C@@H]2O 28568632 HTDAGQQNWZEQOG-OMELFJCSSA-N 363.501 4.473 0 1 FIAF in-vivo Brc1cc(-c2cc(-c3ccc[nH]3)no2)[nH]c1Br 96909563 KIWCJCHSFHGADV-UHFFFAOYSA-N 357.005 4.190 0 1 FIAF CCN(CC)CCNc1nc2cc(-c3ccccc3)nn2c2ccccc12 96933157 HFOUKZIPYWHDRD-UHFFFAOYSA-N 359.477 4.303 0 1 FIAF CCC(CC)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167865423 NJFOYBDFAFILFK-UHFFFAOYSA-N 351.450 4.153 0 1 FIAF COc1cc([C@@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@H](C)[C@H]2C)ccc1O 238752374 KBIHHHDCLJQNHG-CKUVHLQKSA-N 374.433 4.208 0 1 FIAF endogenous,in-man Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(CO)cc2[nH]1 587122758 XKNKHNCLYPKKDQ-UHFFFAOYSA-N 373.334 4.477 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)cnc2[nH]1)C(C)(C)C 587202586 BLVSNXJSUGRDAH-LBPRGKRZSA-N 352.866 4.093 0 1 FIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Br)ncc3[nH]2)c1 587242267 RATGDQHGUYWATE-UHFFFAOYSA-N 373.254 4.372 0 1 FIAF C[C@]1(CCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350407 HSJMACFEHFJBCA-TZIWHRDSSA-N 372.392 4.294 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccncc4)ccc1OC)[C@@H](C2)C3=O 587436372 OXZCRECYSCKBPK-MBSDFSHPSA-N 373.408 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc3c(cnn3C(C)C)c1)CC2=O 587474926 IJWZXSFBHMIWCE-IBGZPJMESA-N 365.433 4.377 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)OC)(c1ccccc1)CC2=O 587476367 CCMYPHXKBCQDSW-JOCHJYFZSA-N 368.429 4.159 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3cc(OC)ccc31)CC2=O 587484860 IJLSWEGQERHCQE-QFIPXVFZSA-N 368.429 4.387 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccccc1O)CC2=O 587484880 OJFWBMFJNIJBGG-LRTDBIEQSA-N 356.418 4.242 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccc1)CC2=O 587485363 VRDRNBOQLQLHAJ-JOCHJYFZSA-N 368.429 4.159 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccn2)N1 587696172 DCBZNLQAXXIGFH-XXFAHNHDSA-N 369.665 4.434 0 1 FIAF CC(C)c1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587776119 WLNNCFIREMPVHP-MGPLVRAMSA-N 364.262 4.125 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3c(F)c(F)c(F)c(F)c3[nH]1)CC2 587937534 MOABRARYQAMANL-VIFPVBQESA-N 350.315 4.400 0 1 FIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 587952380 PSSHJYYZBVPULE-GLJUWKHASA-N 364.511 4.403 0 1 FIAF Cc1cccnc1[C@]1(c2cccc(C)c2C)NCCc2nc3ccccn3c21 962983694 MEFIPORLUOIVNK-DEOSSOPVSA-N 368.484 4.092 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c(F)cc(Cl)cc1F 963607161 JGYYFVLXEXUDAN-LZVRBXCZSA-N 353.796 4.259 0 1 FIAF CCN(CC)CCCOc1ccc(Nc2nccc(-n3cccc3)n2)cc1 1857574402 AAFZIPRTZZGCDH-UHFFFAOYSA-N 365.481 4.122 0 1 FIAF CC=CCC=CC=CC=CCCCOC(=O)C[C@H](C)OC(=O)C[C@H](C)O 2356381738 XKXAEQCZZGRRAV-OALUTQOASA-N 364.482 4.037 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C(C)=CCC=C(C)C)[C@@H]2[C@H]1CO[C@H]1CC(=O)[C@H]2[C@@H]1C 2356756235 KKDFVJMHBWOJRT-XQCMQKAVSA-N 360.494 4.097 0 1 FIAF CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccccc3)cccn12 61903092 XIFASAJVPHREDO-UHFFFAOYSA-N 353.422 4.068 0 3 FIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214055 AFNARRDFYIYFQY-GFOJFJKKSA-N 372.509 4.120 0 1 FIAF C[C@H](CO)CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O 14763698 LNVBQOJPDQKZTL-FQUUOJAGSA-N 350.455 4.212 0 1 FIAF biogenic O[C@@](Cn1cccn1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 26847278 IUHJNFXNKFLZJU-JOCHJYFZSA-N 359.404 4.020 0 1 FIAF COc1cc(N[C@@H](C)CCCN)c2nccc(C)c2c1OC1CCCC1 28221729 PNEQXEODPXPGNJ-HNNXBMFYSA-N 357.498 4.413 0 1 FIAF COc1ccc(NCCNC(=O)C2(Nc3ccccc3)CCCCC2)cc1 28571850 JSIFCSPUWAJZHU-UHFFFAOYSA-N 367.493 4.038 0 1 FIAF NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)cc1NCC1CC1 29047737 MYMFZSKQVMHTDE-UHFFFAOYSA-N 373.456 4.070 0 1 FIAF Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 29696977 ITRMZYSEZBCBEC-OALUTQOASA-N 372.871 4.240 0 1 FIAF O=C(Nc1ccc(Cl)cc1F)C1=CCN(c2ncccc2Cl)CC1 34409775 MLDQSQZWOMTCER-UHFFFAOYSA-N 366.223 4.303 0 1 FIAF CCOC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1ccccc1C(F)(F)F 38891751 CXDWIHCGRKPXAR-UHFFFAOYSA-N 367.323 4.259 0 1 FIAF biogenic COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(F)c2)c1 49053635 PXIXFRQOZKDTCC-UHFFFAOYSA-N 364.376 4.339 0 1 FIAF c1cc(-c2cc3ccc(C4=NCCCN4)cc3s2)ccc1C1=NCCCN1 49802687 FPBFJRDITBPIKQ-UHFFFAOYSA-N 374.513 4.048 0 1 FIAF CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc21 58583410 UKACQFCXAAAWAE-HNNXBMFYSA-N 362.905 4.310 0 1 FIAF in-vitro CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NC[C@@H](O)CO 66075160 BHTKFCKCINKOAG-LVTNFWOSSA-N 351.531 4.045 0 1 FIAF Nc1nccn2c(C3CCC3)nc(-c3ccc(O[C@H]4CCCCO4)cc3)c12 96168116 RYXLLBJQMCLZSO-KRWDZBQOSA-N 364.449 4.151 0 1 FIAF CCCn1cc(-c2ccccc2)nc1[C@H]1C[C@H]1c1nc2c(C)ncc(C)n2n1 96177994 IJCQEHMWMZVVTK-MSOLQXFVSA-N 372.476 4.286 0 1 FIAF O=C1NC(=O)/C(=C/c2ccc(OCCc3ccccc3)c(Cl)c2)S1 96282282 UZAWEJYDDVDFJD-WJDWOHSUSA-N 359.834 4.285 0 1 FIAF O[C@@H](COc1ccc(Cc2ccccc2)cc1)CN1CCc2ccccc2C1 219731192 AFAXWMGSIKCSQW-XMMPIXPASA-N 373.496 4.075 0 1 FIAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccsc2)O[C@H]1c1cccnc1 253664165 MNZKTVZKROTVFA-ZDDHKNJUSA-N 359.447 4.357 0 1 FIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 586882591 ZBVMOAQTAABLLL-UHFFFAOYSA-N 362.216 4.193 0 1 FIAF Cc1ccc(-n2ccnc2SCc2nc3ccc(O)cc3[nH]2)c(C)c1 586966889 UYRHWQWZNVBGHD-UHFFFAOYSA-N 350.447 4.363 0 1 FIAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587049918 JLEWMJJSZGLTAT-UHFFFAOYSA-N 365.723 4.163 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc12 587080047 KQLIXBKYSVDFHL-LBPRGKRZSA-N 364.630 4.358 0 1 FIAF CCOC(=O)[C@@H]1[C@H]2Cc3nc4c(C)ccc5c4c(c3[C@H]21)-c1ccccc1C5=O 587097612 MQZINFRTSNLQNV-QKYXUNIQSA-N 369.420 4.203 0 1 FIAF CC(=O)N[C@H](Cc1nc2ccc3nc(C)ccc3c2[nH]1)c1ccc(C)cc1 587216564 FRJVFBNNNYJABU-HXUWFJFHSA-N 358.445 4.148 0 1 FIAF CCOC(=O)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587229191 BIVPCXXLRMLKFI-UHFFFAOYSA-N 372.428 4.414 0 1 FIAF C=CC(=O)Nc1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 587243639 HHXQNDZDJHJJOY-UHFFFAOYSA-N 360.186 4.256 0 1 FIAF COc1ccc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587375979 GFNUOLGFEQMHMD-MRXNPFEDSA-N 362.223 4.055 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(F)c1C(F)(F)F)[C@@H](C2)C3=O 587420245 JGNLDBJAVIJFNT-APPDUMDISA-N 352.283 4.342 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(OC)c(Cl)c1)[C@@H](C2)C3=O 587422619 QUPJLAIUHXCTHJ-XOBRGWDASA-N 358.821 4.328 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(F)cc(F)c31)CC2=O 587472452 QTPHCUFYRYIICX-HXUWFJFHSA-N 360.356 4.266 0 1 FIAF Nc1ccccc1[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587512228 WFIXUGZNBHJWNB-XMMPIXPASA-N 370.452 4.452 0 1 FIAF COC(=O)CC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526870 USBSBZLORBIMSJ-QHCPKHFHSA-N 364.441 4.379 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cccc(F)c12 587566729 AIYXZGADJRYXEM-DENIHFKCSA-N 362.356 4.335 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2c1cccnc1 587584899 BNXKTEGHNZLRQR-MONBJTKQSA-N 373.408 4.455 0 1 FIAF COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2c(C)cc(Cl)cc12 587624635 ODEDOFCOFPHOLX-UHFFFAOYSA-N 363.747 4.431 0 1 FIAF CC(C)[C@@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587742472 RNZMVDHFZVUBHG-DIKMTWMYSA-N 355.295 4.049 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2n[nH]c3ccccc23)N1 587790468 CYLDKONVVVDOKV-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSCC(C)(C)C2)N1 587857505 KTIFRDSPWDZNPR-QLJPJBMISA-N 358.320 4.481 0 1 FIAF CCc1cc(-n2nc3cc2Oc2ccc(F)cc2-3)nc(-c2ccccn2)n1 587875924 VIZLNCFSNBGMQA-UHFFFAOYSA-N 359.364 4.199 0 1 FIAF COc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SC)nc(O)c21 618005054 ATUSPTBOLPXTSM-CQSZACIVSA-N 369.446 4.127 0 1 FIAF O=C(O)C[C@@H]1COc2cc(OCc3ncc(-c4ccccc4)s3)ccc21 653737630 MACVVXQKXINGST-CQSZACIVSA-N 367.426 4.340 0 1 FIAF COc1cc(/C=C/c2cn(/C=C/c3ccccc3)nn2)cc(OC)c1OC 653810981 VBMHXUWEUANOPG-HULFFUFUSA-N 363.417 4.102 0 1 FIAF Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]1Cc2ccccc2CO1 653827665 FVTBTHDXSZOXNU-NRFANRHFSA-N 362.404 4.155 0 1 FIAF COc1ccc2c(c1)[C@](C)([C@H](N=O)C(=O)c1ccccc1)N(C(C)C)CC2 962094749 XDKYDBHGQYREIY-FGZHOGPDSA-N 366.461 4.195 0 1 FIAF Cc1ccc([C@]2(C)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)nc1 962631357 DULXZRSGXKDUNB-DHLKQENFSA-N 369.512 4.400 0 1 FIAF CC1=C[C@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@@H](c3ccccc3O)[C@H]1[C@H]2C 2356375478 DWTIHMGOTJWGAI-PVZZREMVSA-N 373.493 4.433 0 1 FIAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC2CCCC2)c(OC)c1 777187 NMZWSIXBMYDKMN-UHFFFAOYSA-N 372.465 4.329 0 1 FIAF COc1cc2ncnc(Oc3cccc(Br)c3)c2cc1OC 26741252 BRHOGFZRGDIAMT-UHFFFAOYSA-N 361.195 4.202 0 1 FIAF in-vivo CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1c(C(=O)OC)c[nH]c1=S 28338705 YOBZZGCDCYKROM-NSHDSACASA-N 362.348 4.490 0 1 FIAF Cc1cccnc1-c1c2c(nc3sc(C(N)=O)c(N)c13)CCCCCC2 49068776 RAVRWMDEMYOITI-UHFFFAOYSA-N 366.490 4.007 0 1 FIAF Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1-c1ccc(NCCN)cc1 71341085 KGTDFHUECJWXBK-UYRXBGFRSA-N 372.472 4.162 0 1 FIAF CCCCCOc1ccc(CCc2cccc(O)c2C(=O)O)cc1[C@H](C)O 82157996 YDTRYOKFPJRYRF-HNNXBMFYSA-N 372.461 4.498 0 1 FIAF O[C@@H](CNCCCc1ccccc1)COc1cccc2[nH]c3ccccc3c12 96939952 KMVVGSIPGAIMPL-IBGZPJMESA-N 374.484 4.283 0 1 FIAF Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@@]23CCN1CC[C@H](O)c1ccco1 100895356 QKTRBTWYSXCKTF-OQLXKQOESA-N 367.489 4.167 0 1 FIAF CC(=O)OC[C@]1(O)C[C@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 195381072 PTGGVIKFNQSFBY-APLKYAQBSA-N 358.478 4.210 0 1 FIAF Cc1cccc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)c1 299830821 PLTDPWLVCBHHRX-UHFFFAOYSA-N 358.401 4.011 0 1 FIAF CCOCc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)o1 586902417 FBJKHUWELGRSDO-UHFFFAOYSA-N 356.607 4.170 0 1 FIAF Cc1nn(Cc2nc3ccc(Cl)c(C)c3[nH]2)c(C)c1Br 586979123 QUCWODHPPMOOFQ-UHFFFAOYSA-N 353.651 4.149 0 1 FIAF Clc1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)s1 587023350 NZUAAOLRJZLCCQ-UHFFFAOYSA-N 350.028 4.151 0 1 FIAF CC(C)COc1cc2nc(COC(F)(F)F)[nH]c2cc1Br 587122578 CEMREBTUFQRXEJ-UHFFFAOYSA-N 367.165 4.397 0 1 FIAF Fc1cc(Br)cnc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587156168 XOFJPXJSGRVCGI-UHFFFAOYSA-N 362.536 4.458 0 1 FIAF CC(=O)N[C@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccc(C)cc1 587206816 OMOGHSWCEYAKKZ-MRXNPFEDSA-N 372.266 4.054 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(C)=O)cc1)CC2=O 587471615 URPAICQDQXWJBH-OAQYLSRUSA-N 353.418 4.184 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H]1OCc1ccccc1)CC2=O 587479008 LPYUSYIQRVKKAZ-UNMCSNQZSA-N 352.430 4.428 0 1 FIAF COc1ccccc1N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587513654 KOWSORBMXOKXEW-HSZRJFAPSA-N 363.457 4.188 0 1 FIAF CN1C(=O)CCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587518350 GHKWGACBAZADHN-OAQYLSRUSA-N 361.441 4.181 0 1 FIAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599144 WBUJFNUDKMAATE-UGKGYDQZSA-N 362.381 4.494 0 1 FIAF C[C@@H]1c2ccccc2C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604702 VKAFJLNBGNGLGH-ODMCQALKSA-N 358.393 4.452 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N)ccc2F)N1 587719067 OTIKSZMCBKMUSL-XLFHBGCDSA-N 367.237 4.107 0 1 FIAF Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587790049 GHGQLYWGAQTVNM-GTNSWQLSSA-N 351.263 4.331 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3[nH]ncc3c2)N1 587799106 WGOKBSXYOAADAZ-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(C)(C)C)(C(=O)O)N1 587827958 MLXOUJCWIPABIT-QGHHPUGFSA-N 372.278 4.229 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(C(F)F)ccc3C2)cc1 1772621012 NMECNOZATIAAIB-AWEZNQCLSA-N 358.432 4.380 0 1 FIAF O=c1c2sc(SCc3ccccc3)nc2ncn1-c1cccc(F)c1 1857544539 IRGNOZUSLJRCAE-UHFFFAOYSA-N 369.446 4.274 0 1 FIAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@H](O)[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C 2356426513 COFSRJDBTTZNBZ-QFJIJFTOSA-N 364.526 4.015 0 1 FIAF CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CCC(C)C 2356814012 BWTHSEGPIRFIID-IBGZPJMESA-N 362.514 4.272 0 1 FIAF Cc1cnc(NC(=O)N2CCN(c3ccc(C)c(Cl)c3)C[C@H]2C)s1 2382262067 WKMOUXDHXLCERW-GFCCVEGCSA-N 364.902 4.156 0 1 FIAF CCCn1nc2cc(C(=O)NCCc3ccc(C)cc3)ccc2c1OCC 8762958 FQKGHNVZASWYLW-UHFFFAOYSA-N 365.477 4.126 0 3 FIAF C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3ncccc23)C1 589781 QFIPWGPAGDXIEC-UHFFFAOYSA-N 370.456 4.279 0 1 FIAF COc1ccc2oc(CCCc3ccccc3)c(CCNC(C)=O)c2c1 13474349 IBRMDHSJAGGJPI-UHFFFAOYSA-N 351.446 4.295 0 1 FIAF Cc1ccccc1C(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 13795385 CAEVUKXOEJPABD-UHFFFAOYSA-N 371.436 4.448 0 1 FIAF COC(=O)[C@@H]1CC[C@@H]2c3cc(OC)c4cc(OC)ccc4c3CC[C@]21C 17326405 RJVUHVSRJUDNRA-XQBPLPMBSA-N 354.446 4.476 0 1 FIAF biogenic CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@]12CCCN2C 28255458 RNJHKFNXCUGTMS-FUHWJXTLSA-N 355.309 4.472 0 1 FIAF C[C@@H]1c2cc(Cl)cc3c2N(CC3)c2ccccc2N1C(=O)CN(C)C 28771977 BEQDUBGQNXKAFA-CYBMUJFWSA-N 355.869 4.003 0 1 FIAF CC(C)(C)c1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(C)(C)C)c1 28863954 AOYDJWQSPYRGAM-MHORFTMASA-N 373.493 4.098 0 1 FIAF CN1[C@@H]2CC[C@@H](OC(=O)C3c4ccccc4CCc4ccccc43)[C@H]1CC2 29469422 SJHRBTYUWMPDTL-VLCRHTCISA-N 361.485 4.086 0 1 FIAF CNCCNCc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 45303215 LRNLDIVHQZLXAP-UHFFFAOYSA-N 374.463 4.345 0 1 FIAF CN(C)c1cccc2c1nc(-c1ccco1)n2CCNCc1ccccc1 45324200 BMBZZVIUGVYASA-UHFFFAOYSA-N 360.461 4.152 0 1 FIAF Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1CC1CCCCC1 64448379 KRHOFJSKUFLUIO-UHFFFAOYSA-N 371.868 4.023 0 1 FIAF CNCCC[C@H](c1ccccc1)c1ccc(OCCN2CCCC2)cc1 64448698 FJSAHHQJVCHRGE-HSZRJFAPSA-N 352.522 4.293 0 1 FIAF N=C(Nc1ccc2c(c1)CCCN2CCCN1CCCC1)c1cccs1 73156250 XMWAPZYPQILFQL-UHFFFAOYSA-N 368.550 4.424 0 1 FIAF Cc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2ccco2)o1 82166183 MLYRJVMEOWTHOB-UHFFFAOYSA-N 350.353 4.451 0 1 FIAF O=C(NC1CCCCC1)[C@@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82197836 KEZCJHULWLQILP-SFHVURJKSA-N 373.497 4.367 0 1 FIAF CN1CC[C@@]2(C)C(=CC1=O)CC[C@H]1C3=CC=C(n4ccnc4)[C@@]3(C)CC[C@@H]12 169214118 RCCPQAGENZTWKC-UJFGGOPNSA-N 363.505 4.285 0 1 FIAF COC(=O)C1=CC=CC[C@@]2(C)C[C@@H](c3ccoc3)OC(=O)[C@@H]2CC[C@H]1C 254133161 LDIUDVOTXDYTPG-SIHWBGBFSA-N 358.434 4.366 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3C[C@]34CCc3ccccc34)nc1-2 586884109 HBEFSGGTCJBDNZ-HWPZZCPQSA-N 364.758 4.348 0 1 FIAF Cc1nccc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc12 586961493 VOCYTJYFNGSGON-SANMLTNESA-N 361.470 4.305 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]([C@H]1CCOC1)CC3 586992823 YESKGZLUBJJOSU-KBPBESRZSA-N 371.436 4.293 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587109024 GFSMZEBCMOPWOM-UHFFFAOYSA-N 351.303 4.090 0 1 FIAF COc1nccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c12 587164328 RXDMKVVCHFESHQ-UHFFFAOYSA-N 362.364 4.025 0 1 FIAF Cc1c(Cl)ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587193516 CJBPPUHELAGCGU-AWEZNQCLSA-N 366.893 4.042 0 1 FIAF Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2oc(=N)[nH]c2c1 587511691 RNDJRRPCAHZYGL-QFIPXVFZSA-N 362.429 4.308 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1Cl 587540993 CQRPVMHYDDLQQY-XLIONFOSSA-N 368.772 4.454 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)c(F)c1 587566940 CHDXMOBXNJNPKL-CRAIPNDOSA-N 371.751 4.283 0 1 FIAF C[C@@]1(c2cccc(O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570746 XQRRLARIAMVTQL-UWJYYQICSA-N 366.344 4.114 0 1 FIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1O 587609341 OJEDKTZEVPBGJU-GCJKJVERSA-N 362.381 4.418 0 1 FIAF CC[C@@]1(c2ccc(F)cn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587729289 GQUDUELBXIDLQL-QGHHPUGFSA-N 367.237 4.310 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cnc2Cl)N1 587733175 NOFZETKWTWMALJ-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF CC(C)n1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587765225 RWQDJEOBWUHRDG-DIFFPNOSSA-N 366.278 4.163 0 1 FIAF CCOc1ccncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587775887 UOJAZBURAYATFP-QGHHPUGFSA-N 365.246 4.006 0 1 FIAF CCCCCOc1cc2nc(CC(=O)OCC)[nH]c2cc1Br 587777350 GTBINUSRUMSODS-UHFFFAOYSA-N 369.259 4.000 0 1 FIAF COc1ccc(-c2cccc(-c3nc4ccnc(O)c4[nH]3)c2C)c(OC)c1 587928386 AVYAORMVTRAVMO-UHFFFAOYSA-N 361.401 4.323 0 1 FIAF CCOC1=C[C@@]2(CC1)NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962949097 CLJKDMBUPJJSCM-LJQANCHMSA-N 367.411 4.266 0 1 FIAF Cc1c(-c2ccc(N3CC[C@H](F)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772612858 CZWVABFIIPQPJW-ZDUSSCGKSA-N 358.363 4.330 0 1 FIAF COc1ccc(O)cc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772647827 UPVZSZFSNLQCDU-INIZCTEOSA-N 355.415 4.131 0 1 FIAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2n1CCCCO 1772650814 GKMLNDHZKRSYQX-UHFFFAOYSA-N 366.505 4.112 0 1 FIAF COc1cc(-c2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)ccc1C 1857581043 QWKBVZMFYZHFIH-UHFFFAOYSA-N 354.406 4.087 0 1 FIAF COC(=O)[C@]1(C)CCC[C@@]2(C(=O)O)[C@H]1CC[C@@H]1[C@@H](C)c3ccoc3C[C@H]12 13382349 BUDZNKDGXHMPRO-CSNAGLLJSA-N 360.450 4.016 0 1 FIAF biogenic COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C[C@@H]3CCCN3C2)cc1 14695995 WOAHFBLGXWXVSL-SFHVURJKSA-N 365.473 4.491 0 1 FIAF biogenic O=C(Cc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1 21639095 UBFRTSQJVIUCKF-OAQYLSRUSA-N 369.424 4.185 0 1 FIAF COc1ccc(-c2cc(=O)n(C(C)C)nc2-c2ccc(OC)cc2)cc1 26400700 SFGDYKRZXPJJNQ-UHFFFAOYSA-N 350.418 4.175 0 1 FIAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2CCCC2CCCCC2)cc1 27211225 JWOBTRFVBVCZKU-RXVVDRJESA-N 369.553 4.343 0 1 FIAF CCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1cccc(OC)c1 27524376 DHJSNVZEOQMXOO-UHFFFAOYSA-N 369.461 4.184 0 1 FIAF CSC(=O)C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 27869439 HEHYGLAJNXTTKQ-JPDLMGPVSA-N 360.519 4.347 0 1 FIAF O=C1c2ccccc2N[C@]2(C(F)(F)F)c3[nH]c4ccccc4c3CCN12 40405942 YWBZDWUIAQJHNQ-GOSISDBHSA-N 357.335 4.007 0 1 FIAF CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N[C@@H]1c1ccccc1 40943510 WLYVMMJBNLMSEI-ZJSXRUAMSA-N 370.452 4.236 0 1 FIAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 82132497 YKUKLFALWCLPGQ-LPHOPBHVSA-N 364.493 4.052 0 1 FIAF CCOc1ccc(CCNc2cc(-c3ccc(F)cc3F)ncn2)cc1 82162296 YEVFRNKCXMXFAE-UHFFFAOYSA-N 355.388 4.475 0 1 FIAF CCOC(=O)Oc1cc(-c2csc3c2-n2cccc2C3=O)ccc1OC 87723067 FWFZTBCQNBGRHR-UHFFFAOYSA-N 369.398 4.294 0 1 FIAF Cc1c(-c2nc3c(Br)c(F)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905406 NUHKBARNRKUGHZ-SNVBAGLBSA-N 365.202 4.403 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@]1(CCCO1)C3 586991826 QDNHTHNPPSLZHI-HSZRJFAPSA-N 357.409 4.190 0 1 FIAF COc1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586999365 YIYUNCDRHCIWEC-WAYWQWQTSA-N 373.206 4.233 0 1 FIAF FC(F)(F)c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cn1 587016736 COGGINPXOPAOOY-UHFFFAOYSA-N 350.325 4.284 0 1 FIAF C[C@@H](O)c1ncc(-c2nc3cc(Br)cc(Cl)c3[nH]2)s1 587022802 YZMTWWMWUGBWIT-RXMQYKEDSA-N 358.648 4.156 0 1 FIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(Cl)nc2[nH]1 587120556 OXHSPXUTPMLSIH-UHFFFAOYSA-N 355.629 4.039 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(Br)cccc31)O2 587372637 QEYRKSUQFXKCDO-SFHVURJKSA-N 358.235 4.147 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1ccccc1F)O2 587384777 IQRGXHVRGUTOGB-FQEVSTJZSA-N 350.393 4.273 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(Br)cc1C)O2 587409156 GVNXQCXFXQOWSH-GFCCVEGCSA-N 352.253 4.416 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3ccnc3)c(F)c1)CC2=O 587465669 GXFZROQMSAWTIL-HXUWFJFHSA-N 366.392 4.376 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@@]1(c3ccccc3)CCOC1)CC2=O 587486626 LZMOPWWFNMONAU-UNMCSNQZSA-N 352.430 4.037 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)nc1 587551421 FFXRLASFPDPPQD-APWZRJJASA-N 353.761 4.144 0 1 FIAF C[C@@]1(c2ccc(C=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603406 OIOOTHZCXVUGJO-KNQAVFIVSA-N 360.365 4.082 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(F)c32)N1 587738268 MHXXRELFYNUIPQ-MGNBDDOMSA-N 364.233 4.451 0 1 FIAF CC[C@H](C)n1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587762063 WYGJPYBSQVULDJ-PSVSLLHZSA-N 366.278 4.379 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccccn2)N1 587772036 MYDYIPRSTHSCQB-RQTBGOTGSA-N 361.258 4.446 0 1 FIAF CCc1noc(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792568 IYWZHMOINJGYFZ-VVVCHXIZSA-N 367.262 4.245 0 1 FIAF C[S@](=O)c1ccc([C@H](NC2CCC2)c2cc3cccnc3[nH]2)cc1Cl 653780334 BNOICVBXGBGNOO-BVZFJXPGSA-N 373.909 4.185 0 1 FIAF Clc1cc(Cl)c2c(c1)[C@@H](c1cccn1-c1nccs1)NCC2 963109122 OVKSGDSMEXVKQR-HNNXBMFYSA-N 350.274 4.476 0 1 FIAF COc1ccc2c(c1)nc(-c1cc(OC)c(OC)c(OC)c1)c1[nH]ccc12 1857632154 AIWYVYAWFRRBSL-UHFFFAOYSA-N 364.401 4.418 0 1 FIAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc2ccccc12 2356318228 AHIFZBURPWSUTA-BPQIPLTHSA-N 353.535 4.247 0 1 FIAF CC[C@H](C)CC(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@@H]1[C@@]23C 2356385701 VLPYWBWQNXIXGS-KYKMLIEKSA-N 360.450 4.123 0 1 FIAF Cc1ccc2nc(C[C@@H]3CN(C4CCCCC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356564457 PPLVNFSBVJZJIS-DLBZAZTESA-N 369.509 4.159 0 1 FIAF CCN(CC)C(=O)Nc1sc(-c2ccc(F)cc2)cc1C(=O)OC 2382224340 NIBTXQPOGHOFJZ-UHFFFAOYSA-N 350.415 4.215 0 1 FIAF CC[C@H](C)NC(=O)c1c(-c2cc(Cl)c(OC)c(Cl)c2)noc1C 3030964 SBQZGUJLKHCUAP-QMMMGPOBSA-N 357.237 4.494 0 3 FIAF O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2nc3ccccc3o2)C1 201461353 BGFKJWXUHCBPEF-OAHLLOKOSA-N 369.852 4.014 0 3 FIAF COc1cc2c(cc1O)oc1c(OC)c(-c3ccccc3)c(C=O)c(O)c12 14638607 ZFFQHGPRJQWJHJ-UHFFFAOYSA-N 364.353 4.494 0 1 FIAF biogenic CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@H](OC(=O)c2ccc(O)c(O)c2)C1 14956419 ZIMLVLHAEPCXAJ-KIZRIRGWSA-N 374.477 4.167 0 1 FIAF biogenic CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(CN)ccc23)C1(C)C 14975876 UDXLKGUOQBNFSZ-UHFFFAOYSA-N 368.521 4.392 0 1 FIAF Nc1cc2[n+](c3cc(Br)ccc13)CCc1c-2[nH]c2ccccc12 28014416 CAIHWVWSNREIEF-UHFFFAOYSA-O 365.254 4.176 0 1 FIAF CCCCCC(=O)Nc1ccc2nn(Cc3ccc(C(=O)O)cc3)cc2c1 29468907 SXAXGSUNZIVATE-UHFFFAOYSA-N 365.433 4.302 0 1 FIAF CCCOCCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 33925125 BCROWQOCKNZZFM-UHFFFAOYSA-N 354.825 4.462 0 1 FIAF CCN(CC)Cc1ccc([C@@H](c2ccccc2Cl)n2cncn2)cc1 35246398 NLULVWKHNXDXKM-FQEVSTJZSA-N 354.885 4.411 0 1 FIAF CC1(C)C[C@@H](OC(=O)c2ccccc2)c2cc3ccc(=O)oc3cc2O1 39008247 ABIHMWHCVFBRGI-GOSISDBHSA-N 350.370 4.252 0 1 FIAF CN(C(=O)C(Br)(C(F)(F)F)C(F)(F)F)C1CCCCC1 68573982 VTIOUIGISOWVCU-UHFFFAOYSA-N 370.131 4.036 0 1 FIAF biogenic CC[C@@H](C)Nc1ncc(C(=O)NCC2CCCCC2)c(-c2ccco2)n1 82142196 UJBXFXOCULJCMX-CQSZACIVSA-N 356.470 4.257 0 1 FIAF CC1(C)CC2=Nc3nc(S)nc(O)c3[C@@H](c3cccs3)C2=C(O)C1 104079315 VGSYCEFHAMOLCE-LBPRGKRZSA-N 359.476 4.383 0 1 FIAF COc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)N[C@H](C)C3)c1 116989649 MELFSEYIAUNESE-CQSZACIVSA-N 359.429 4.175 0 1 FIAF COC(=O)[C@@]1(/C=C2/c3ccccc3[C@H](OC)[C@@H]2C)[C@@H]2c3ccccc3O[C@H]21 299811275 ASIWMRFKVKKMJP-ZQALTGNUSA-N 362.425 4.125 0 1 FIAF Brc1cnc2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 587017233 JYHFWZOJSOVPIJ-UHFFFAOYSA-N 361.224 4.028 0 1 FIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(F)cnc(Cl)c2[nH]1 587079225 HOIOWWHTKCKIGX-NSHDSACASA-N 364.211 4.128 0 1 FIAF COc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1F 587120850 XKGJXNZXJKXJLJ-UHFFFAOYSA-N 350.275 4.273 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(Cl)nc2[nH]1 587168495 YEUCAPCHNIXCLS-ZDUSSCGKSA-N 359.792 4.119 0 1 FIAF Cc1cccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c12 587198837 SAQRMJUQNYMPHZ-UHFFFAOYSA-N 356.429 4.397 0 1 FIAF C[C@@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344507 GWFGQKNJMGUCCJ-UNMCSNQZSA-N 363.388 4.287 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccccn3)cc1)O2 587393791 MLVXUYDDOCEBSR-OAQYLSRUSA-N 360.413 4.258 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)ccnc1Cl)[C@@H](C2)C3=O 587421373 PRVMQZIRCHTSTL-DYZYQPBXSA-N 350.201 4.060 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2n[nH]c(C)c21 587488144 YMMILYIFFZCWRM-OAQYLSRUSA-N 354.450 4.209 0 1 FIAF C[C@H]1CN(Cc2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518079 ZYNUPVPQIKEIFD-BXKMTCNYSA-N 361.485 4.421 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1O 587550807 YUDLQMPQKZQMFX-XLIONFOSSA-N 368.772 4.454 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)c(F)c1 587566943 CHDXMOBXNJNPKL-YJBOKZPZSA-N 371.751 4.283 0 1 FIAF Cc1nc2ccccn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587774957 OQVGNIBIECLWCJ-BMLIUANNSA-N 374.257 4.168 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2C=O)N1 587815201 KQBUCBSSMYHMJY-ZMZPIMSZSA-N 362.242 4.198 0 1 FIAF CC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587815580 NVHHKOXXUCICEB-MLCYQJTMSA-N 362.242 4.414 0 1 FIAF COc1cccc(CCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587931209 MSFJKSUHPOZJMG-UHFFFAOYSA-N 358.445 4.188 0 1 FIAF COc1ccc([C@H](O)[C@H](C)c2nc3cccc(Br)c3[nH]2)cc1 587938195 UKKHRYBUHUVTFT-MGPLVRAMSA-N 361.239 4.171 0 1 FIAF COc1cc(-c2cn3c(-c4ccc5c(ccn5C)c4)cnc3cn2)ccc1O 653773165 TVSPKFSVQNWYLN-UHFFFAOYSA-N 370.412 4.269 0 1 FIAF Cc1c(Cl)cccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1 653808398 OSGMULIPPPBILX-UHFFFAOYSA-N 351.797 4.167 0 1 FIAF COC(=O)Cc1ccccc1[C@H]1NCCc2cccc(-c3ccccc3)c21 962659095 FMHOTUHPLMEBRJ-XMMPIXPASA-N 357.453 4.304 0 1 FIAF c1cncc(CN2CCc3sccc3[C@H]2c2ccc3ncncc3c2)c1 962999940 SOVUGOPEVAJPOH-OAQYLSRUSA-N 358.470 4.234 0 1 FIAF CCOc1ccccc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772657564 SUSTXTKENXBPQP-QGZVFWFLSA-N 355.365 4.486 0 1 FIAF CCCCCC=CC[C@@H](O)C=CC=CC=C[C@H](O)CCCC(=O)N(C)C 2356311279 BBJRTSLPWQUASB-RTWAWAEBSA-N 363.542 4.162 0 1 FIAF Cc1cc(C)cc(-n2c(C)nc3cc(C(=O)NCc4ccccn4)ccc32)c1 3032179 RLJLJKQLCNMTDR-UHFFFAOYSA-N 370.456 4.276 0 1 FIAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@H](C)[C@H](C)C(=O)O)cc1 13756190 PFLDPOZALLKJHW-CVEARBPZSA-N 365.477 4.483 0 1 FIAF Cc1ccncc1-c1cc(F)c(F)cc1-c1ccc(S(C)(=O)=O)cc1 26944030 NNVCGCWOBZTSDJ-UHFFFAOYSA-N 359.397 4.406 0 1 FIAF C[C@H]1CC[C@@H]2CCCC[C@@H]2N1CCCNC(=O)c1cc(Cl)ccc1O 29392498 IZZOZHFPLHDYNJ-MPGHIAIKSA-N 364.917 4.209 0 1 FIAF Cc1cccc(Sc2c(C(=O)NCCO)[nH]c3ccc(Cl)cc23)c1 35001616 VJYOOIUERKOETB-UHFFFAOYSA-N 360.866 4.003 0 1 FIAF Cc1cc(Cl)cc(C)c1NC(=O)CN1CCC(c2ccccn2)CC1 35075413 NHAFVARZNICDHJ-UHFFFAOYSA-N 357.885 4.170 0 1 FIAF CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(Cl)cc1 40423963 QMFWCFHDKMWFND-LJQANCHMSA-N 374.868 4.034 0 1 FIAF CCC[C@H](C)COC(=O)c1cc(CO)cc(C(=O)OC[C@H](C)CCC)c1 40893128 WZXXTYNDXLUJEZ-IYBDPMFKSA-N 364.482 4.365 0 1 FIAF COc1cccc(Cc2nnc3sc(-c4ccc(Cl)cc4)nn23)c1 96905675 IEQJBZMOOQZZMI-UHFFFAOYSA-N 356.838 4.106 0 1 FIAF C[C@@H](F)c1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl 103276824 DPYSTEWYIMSIQO-LLVKDONJSA-N 351.853 4.332 0 1 FIAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NOCc1ccc(F)cc1 299859127 WGLRRZPFYFBYLH-SNVBAGLBSA-N 358.196 4.148 0 1 FIAF Cc1cc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2cc1Br 586882527 WXCPLULSHOJBHI-VOTSOKGWSA-N 357.207 4.399 0 1 FIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Cl)c(F)cc2[nH]1 587065522 SPZGYRXHRWCSMN-UHFFFAOYSA-N 369.179 4.409 0 1 FIAF COc1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)nn1-c1ccccc1F 587157185 XQGHZAUMGRQAGM-UHFFFAOYSA-N 365.412 4.256 0 1 FIAF Cc1c(Br)cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1C 587157944 VWVPHTKTAOTUPH-KZULUSFZSA-N 374.257 4.423 0 1 FIAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(C(=N)N)cc3[nH]2)c1 587159507 PWBMCBTXMDKGNK-UHFFFAOYSA-N 374.419 4.252 0 1 FIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](NC(C)=O)C3)c1 587364063 ZUVOEIDJIZTNGA-QGZVFWFLSA-N 358.397 4.390 0 1 FIAF CCC[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 587410576 YJQGDLFAVQERNW-OAQYLSRUSA-N 353.418 4.009 0 1 FIAF CCCOc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@@H](C)C2 587411887 LLUAQDXUVVOGSS-YEJXKQKISA-N 367.445 4.396 0 1 FIAF CCN(CC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F 587425293 BIHVSBKTBJZSIF-VFNWGFHPSA-N 355.409 4.169 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1Cc1ccccc1OC)[C@@H](C2)C3=O 587441192 FDEXMSDRQZRTJO-WLENULPWSA-N 364.441 4.233 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(C(=O)O)cc1)CC2=O 587490855 SEQOPZRNJTUGRF-OAQYLSRUSA-N 354.402 4.314 0 1 FIAF Cc1cccc(N)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578086 MBOKMHDCHWTGCU-DENIHFKCSA-N 361.397 4.160 0 1 FIAF C[C@]1(c2ccc3c(c2)CCN3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598413 XQEICMCDVVGYEH-NFBKMPQASA-N 373.408 4.237 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)s1 587610779 HDWHKUOXCSVKPP-BBRMVZONSA-N 359.790 4.205 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(N)c2)N1 587720069 RAJNKAZYSCUSBK-VVVCHXIZSA-N 367.237 4.107 0 1 FIAF CN(C)c1ccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587875810 JWXYRTQXIUUGHG-UHFFFAOYSA-N 354.410 4.106 0 1 FIAF COc1ccc(CCCc2nc3c(Cl)c(Cl)cnc3[nH]2)c(OC)c1 587929112 QQFGEUYSVSGKCI-UHFFFAOYSA-N 366.248 4.457 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCc3cc(NC(C)=O)ccc31)N(C(C)C)CC2 962086924 DSZOLUGCNAKNNI-QHCPKHFHSA-N 364.489 4.110 0 1 FIAF Fc1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cn1 962642875 VGBRVBVFIQQHTO-OFNKIYASSA-N 359.448 4.057 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCOc3c(F)ccc(F)c32)N1 962944768 FEYSAROXEWYQDG-LAJNKCICSA-N 354.400 4.397 0 1 FIAF O=C(CCc1ccc(-c2cccc(O)c2)cc1)NC1=C(C(=O)O)CCCC1 1772628711 OXNOGHLVIWCQGC-UHFFFAOYSA-N 365.429 4.021 0 1 FIAF O[C@]1(Cc2cc(-c3cn[nH]c3)on2)CC[C@H](Cc2ccc(F)c(F)c2)CC1 1772634771 WGLSGNKFELSXRI-NXHRWCDGSA-N 373.403 4.049 0 1 FIAF COc1cc(C(=O)c2cccc(-c3ccccc3C)n2)cc(OC)c1OC 1857611522 OXSWJNHSPSJMCD-UHFFFAOYSA-N 363.413 4.314 0 1 FIAF COc1ccc(CN2C(=O)C(=O)c3c(-c4ccc(OC)cc4)cccc32)cc1 1857766561 PQDURQOFPGFUFH-UHFFFAOYSA-N 373.408 4.100 0 1 FIAF CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4COC[C@]4(CCC(=O)O)C3=CC[C@@]12C 2356324889 LTMONJJANNHFRQ-PEYIGDRISA-N 358.478 4.156 0 1 FIAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H](C)[C@]3(OC(=O)C4=C3CCC=C4)[C@@H]21 2356367881 JRMOXPFUUJPSHB-YBRVGAOZSA-N 352.430 4.142 0 1 FIAF CC1=C[C@H]2O[C@H](CC(=O)O)[C@H]1[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@H]21 2356806238 VPYDKRNAPAGWFD-CNPLSOAWSA-N 362.510 4.024 0 1 FIAF O=C([C@@H]1CC12CCCC2)N1CCC(CO)(Cc2ccccc2Cl)CC1 11702048 JEOIWVMAJLKNEW-KRWDZBQOSA-N 361.913 4.064 0 3 FIAF COc1ccc(C[C@@H](C)[C@@H](C)C(=O)c2ccc3c(c2)OCO3)cc1OC 14646510 GRBCXNICXUJJIW-ZIAGYGMSSA-N 356.418 4.130 0 1 FIAF biogenic COc1c(O)cc2occ(-c3ccc(OCC=C(C)C)cc3)c(=O)c2c1O 14814019 LWYWLXANIDATEW-UHFFFAOYSA-N 368.385 4.225 0 1 FIAF biogenic Nc1nc(NO)c2cc(Sc3cccc(C(F)(F)F)c3)ccc2n1 26268754 RBZYLRYTFXXSBK-UHFFFAOYSA-N 352.341 4.183 0 1 FIAF C[C@H]1CC[C@@H]2[C@H](C1)c1cc3c(C(F)(F)F)cc(=O)n(C)c3cc1N2C 27851864 YQTCSWKPQXVKOV-FIXISWKDSA-N 350.384 4.279 0 1 FIAF COc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OC1CCCC1 34820547 MBLZDHJUHFQZLN-INIZCTEOSA-N 366.461 4.119 0 1 FIAF Fc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccccc3)nn2)c1 40423792 YEFRSHROQLIQKM-UHFFFAOYSA-N 369.403 4.471 0 1 FIAF CC(C)N1CCCC[C@H]1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 49068032 PQFMYQNBODJBRE-IBGZPJMESA-N 362.477 4.264 0 1 FIAF CNC(=S)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49113275 SXALTAXBVRBHJS-GFCCVEGCSA-N 359.322 4.278 0 1 FIAF CCCCOCCCCCCCc1ccc(C(=O)NC2(C(=N)N)CC2)cc1 71316074 AKNLWRVDNDHAJR-UHFFFAOYSA-N 373.541 4.195 0 1 FIAF CN(C(=O)N(C)C1C2CC3CC(C2)CC1C3)c1ccc(F)c(F)c1F 72114782 VJDNDXWQHQDWJR-UHFFFAOYSA-N 352.400 4.417 0 1 FIAF CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2CCC(C)CC2)n1 82066898 JBJFCNWSZPOULB-OAHLLOKOSA-N 371.485 4.119 0 1 FIAF COc1ccc(CNc2cc(-c3ccc(F)cc3F)ncn2)cc1OC 82160370 WKYARYOIEHGOLS-UHFFFAOYSA-N 357.360 4.051 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(C)=O 98065448 CLPHRXGNIWYRJV-OQIABNLHSA-N 374.521 4.347 0 1 FIAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](O2)[C@H]1/C=C/[C@@H](O)C1CCCCC1 101222280 CEHGUSRXHYTTPN-UQEKVPTHSA-N 362.510 4.479 0 1 FIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 121225671 ARNLHXDQNOMBKB-YMXFDNJYSA-N 359.554 4.055 0 1 FIAF O=C1OC[C@@H](Cc2ccccc2)N1c1ccnc(NC2CCCCCC2)n1 142140156 PEGWLLRRRJARTJ-GOSISDBHSA-N 366.465 4.179 0 1 FIAF Nc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OCc1ccccc1 196216317 GSTBFVUTRDGQEP-UHFFFAOYSA-N 366.396 4.164 0 1 FIAF COc1c2c(c(/C=C/C(C)(C)O)c3oc(C)cc(=O)c13)OC(C)(C)C=C2 238747974 UHVMLVOXDNEVNO-VQHVLOKHSA-N 356.418 4.078 0 1 FIAF Cc1cc(NC(=O)c2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1 473086106 AVGUPIURWQEZIV-UHFFFAOYSA-N 374.227 4.201 0 1 FIAF Cc1cc(Br)cc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c12 586882110 KDVCEAHBXUCUET-VOTSOKGWSA-N 357.207 4.399 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4ccnc(Cl)c4[nH]3)n2C)cc1 586965202 LLAKJOPOPYGBHT-UHFFFAOYSA-N 370.869 4.008 0 1 FIAF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cn1 587084012 RAKUNHCGTPEOCI-UHFFFAOYSA-N 364.792 4.127 0 1 FIAF CC(C)Oc1ccc2nc(C(F)(Br)Br)[nH]c2c1 587087269 NGBUOHGUIAAVJC-UHFFFAOYSA-N 366.028 4.220 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@@]2(CCc3c(nc4cccc5c4c3CC5)C2)C1 587212709 QEHXWIXZVRYTLE-HSZRJFAPSA-N 364.489 4.449 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(C)c1O)O2 587378052 ROLMNDRMIMXQQC-HNNXBMFYSA-N 362.223 4.060 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cccnc1Cl)O2 587379446 ISAFYHJHNLYACD-KRWDZBQOSA-N 353.809 4.123 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)ccnc1Cl)O2 587381199 HKQNKFPZCUXKKN-GFCCVEGCSA-N 356.731 4.351 0 1 FIAF CCCCn1nc(C(F)(F)F)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587381973 JMWVBELRHQSVBX-HNNXBMFYSA-N 367.371 4.299 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(Cc3ccccc3)[C@H](C)C1)O2 587400042 OBTGHDMGPYDZSI-DTVZVWBHSA-N 364.489 4.354 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(O)ccc(Cl)c1Cl)[C@@H](C2)C3=O 587421525 MVDTWKKNBXTHMO-XYZCENFISA-N 351.185 4.196 0 1 FIAF CCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(OC)ccc21 587431329 NZJLJOUJTPNPFR-OPAMFIHVSA-N 363.413 4.167 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1nc(-c4cccs4)oc1C)[C@@H](C2)C3=O 587452588 RKMFRBKJEHVQLJ-SGTLLEGYSA-N 353.399 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1nc(C)ccc1OC(F)F)CC2=O 587464969 DBKAXKOMWUVAHZ-MRXNPFEDSA-N 363.360 4.356 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(N)cc(C(C)=O)c1)CC2=O 587472910 OHIMRGDALHCIBE-OAQYLSRUSA-N 353.418 4.010 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)C(=O)OC)CC2=O 587481659 RFKVCYUAERUYAJ-JLCFBVMHSA-N 368.429 4.015 0 1 FIAF O=C1C[C@@H](c2c(Cl)cnc3c2OCCO3)Oc2c1ccc1c2CCCC1 587496280 BAWJOJIJIPQVHW-INIZCTEOSA-N 371.820 4.092 0 1 FIAF Nc1cccc([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512349 WZXQXYIIKXVOCN-XMMPIXPASA-N 370.452 4.452 0 1 FIAF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)O1 587616494 KTZSIVQUSYXYNO-KKSFZXQISA-N 354.402 4.070 0 1 FIAF Cc1c[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794036 SLNRTWNVXGYRAP-DYZYQPBXSA-N 351.263 4.331 0 1 FIAF COc1cccc(C(=O)c2ccc(-c3nc4c(OC)cccc4[nH]3)cc2)c1 587930067 GKEJMIPBBIPSSI-UHFFFAOYSA-N 358.397 4.478 0 1 FIAF Fc1cc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2cc1-n1cccn1 587949989 HSGACTAKUSNMSQ-UHFFFAOYSA-N 366.440 4.373 0 1 FIAF Cc1cccc(N2CCN(Cc3cccnc3-c3ccncc3)CC2)c1C 621476440 YBHOXZSAFRLLMH-UHFFFAOYSA-N 358.489 4.083 0 1 FIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@]2(CC=C(c3ccccc3)CC2)N1 963226704 PMPONXKRZIVZDK-ISKFKSNPSA-N 370.452 4.297 0 1 FIAF CN(C)/C=C\[C@]1(C(C)(C)C)c2cccc(Br)c2CCN1C 963278878 CVXSQGIFBRJNDQ-FWFZHJKVSA-N 351.332 4.254 0 1 FIAF COc1ccc2c(c1F)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)[C@@H]2C 1772611257 NMQFVQXXSVFZTQ-LSDHHAIUSA-N 370.468 4.151 0 1 FIAF c1ccc(-c2ccc(-c3noc(-c4ccc(C5=NCCN5)cc4)n3)cc2)cc1 1857601369 KFBBOEQHDPWPGK-UHFFFAOYSA-N 366.424 4.420 0 1 FIAF CS(=O)(=O)c1ccc(Nc2nccc3[nH]c(-c4ccsc4)cc23)cc1 82078233 SVOYCOIFSGYWKM-UHFFFAOYSA-N 369.471 4.439 0 3 FIAF COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2cccc(C)c2)cc1Cl 169304087 BDHGLBTVQJOTFI-HKUYNNGSSA-N 356.853 4.167 0 3 FIAF CC(=O)c1cccc(CN2CCC[C@](CO)(CCc3ccccc3)C2)c1 12586989 YJARTKHQPOLKOI-QHCPKHFHSA-N 351.490 4.097 0 1 FIAF CC[C@H](C)N1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCCC1 20386909 ULNOQUBDCMLXRL-AOMKIAJQSA-N 356.510 4.081 0 1 FIAF O=C1Nc2ccccc2C(c2ccccc2F)=N[C@H]1Cc1ccsc1 28241554 JFUAXQQSIMTDOD-SFHVURJKSA-N 350.418 4.288 0 1 FIAF CCCn1ccc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 28710792 FKOAFPUJFCCJSQ-UHFFFAOYSA-N 353.418 4.308 0 1 FIAF CCCCN1C(=O)O[C@H](COC(=O)C2CCCCC2)[C@H]1Cc1ccccc1 40567116 ZSQJPBJCPQUZKQ-WOJBJXKFSA-N 373.493 4.342 0 1 FIAF NC(=S)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccc(Cl)cc1 43018200 VDUIVKIWQRPGRZ-OAHLLOKOSA-N 355.850 4.481 0 1 FIAF CCC(=O)Nc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)n1 66099452 DNEYXUJYFFBFKH-UHFFFAOYSA-N 363.417 4.176 0 1 FIAF Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF 71315751 HOQOWBZOEYYDGE-JNAXZKDPSA-N 359.514 4.297 0 1 FIAF C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(Cl)cc1F 71317148 HUDWYYYFRVUKIA-HIFRSBDPSA-N 372.875 4.386 0 1 FIAF Cc1ccnc(NC(=S)N2CCc3cccc(C(F)(F)F)c3C2)c1 95567535 OEEMGSCSOVBIEY-UHFFFAOYSA-N 351.397 4.164 0 1 FIAF Cc1cccc([C@H](c2ccncc2)c2cc3c4c(c2)CCN4C(=O)CC3)c1 95595628 FKYHZGBEOXUCRX-QHCPKHFHSA-N 354.453 4.406 0 1 FIAF COc1ccc2c(c1)sc1c(Nc3ccc4c(c3)OCCO4)ncnc12 95597443 NUIXLNPTJRQPTR-UHFFFAOYSA-N 365.414 4.368 0 1 FIAF O=P(O)(O)[C@H](O)c1cccc(-c2cccc(C3CCCCC3)c2O)c1 96285006 LOLLSFQJSJUGKS-IBGZPJMESA-N 362.362 4.276 0 1 FIAF Cn1ncc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)cccc21 118719738 KDYCVYMESWOYDY-MRXNPFEDSA-N 368.412 4.136 0 1 FIAF Cc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(C(N)=O)c1 169697573 OWDDTHVKDDWPSM-UHFFFAOYSA-N 352.434 4.182 0 1 FIAF COc1ccc(C[C@@H]2COc3cc4c(c(O)c3C2=O)C=CC(C)(C)O4)cc1 238746731 WHASMSGSLODBRS-CQSZACIVSA-N 366.413 4.019 0 1 FIAF CCOC(=O)C1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCC1 586989479 KNEXWEVQJWLNGE-UHFFFAOYSA-N 373.408 4.137 0 1 FIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cccc(C(=O)O)c2[nH]1 587076572 WWZVCJHQILZVRF-UHFFFAOYSA-N 352.781 4.076 0 1 FIAF Cn1cc(-c2nc3ccc(Br)c(F)c3[nH]2)c(C(F)(F)F)c1 587112026 JMVXWFISZOWPBK-UHFFFAOYSA-N 362.124 4.489 0 1 FIAF FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(Cl)ccc4[nH]3)no2)n1 587119443 XQYDHNPXKWQZDH-UHFFFAOYSA-N 367.718 4.135 0 1 FIAF Fc1c(F)c(F)c(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)c(F)c1F 587134448 LNPNPBPVZHLIJO-UPHRSURJSA-N 354.234 4.158 0 1 FIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 587162683 HSRHGUCWQWJGTN-UHFFFAOYSA-N 372.359 4.182 0 1 FIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(Br)c2[nH]1 587174705 KPTDHDSSAQXILG-CYBMUJFWSA-N 373.229 4.188 0 1 FIAF Cc1cccc(NC(=O)Cc2nc3ccc(Br)c(C)c3[nH]2)c1C 587238924 IJJYZEJJDBOSPI-UHFFFAOYSA-N 372.266 4.432 0 1 FIAF CC1(C)C[C@]2(CC[C@H]1O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352633 LMQXNOLOBCDKGS-DXIQSLLYSA-N 370.420 4.200 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](OCc3ccccc3)C1(C)C)O2 587404646 YKCRKYNFIZVGJD-KNQAVFIVSA-N 351.446 4.297 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)ccc(Cl)c1F)[C@@H](C2)C3=O 587427768 VEFBHSICFZWASF-XTZNXHDOSA-N 350.748 4.290 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)OC1(C)C)[C@@H](C2)C3=O 587455033 HTFSFCTUKKEEJS-CECAUBDESA-N 350.414 4.122 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OCC)[C@@H](C)C1)CC2=O 587476918 BOEMEPUJDJZKGM-QTCYRWPVSA-N 360.450 4.048 0 1 FIAF COC(=O)[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587522191 FFOQOXNOOZFTFR-WZONZLPQSA-N 362.425 4.086 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1Cl 587540992 CQRPVMHYDDLQQY-PXNSSMCTSA-N 368.772 4.454 0 1 FIAF CN(C)/C=C/[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573904 VFJDKFHNCWLQTC-LVQBRJSSSA-N 367.445 4.214 0 1 FIAF COc1cc(C)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596937 XKZMOJJLRZBWCK-UGKGYDQZSA-N 362.381 4.412 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)s1 587610795 HDWHKUOXCSVKPP-CZUORRHYSA-N 359.790 4.205 0 1 FIAF COc1cc(F)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587727096 AIFQOGASJMQRHV-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF Cc1ccnc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587768903 DOOOMOWBEQOWQE-XIKOKIGWSA-N 363.274 4.284 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccncc23)N1 587801486 GXUSALRYIYCECB-XYZCENFISA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccnc3[nH]2)N1 587801612 HJJUNQGWUDFDQR-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3occc32)N1 587834773 SQPHILGWVFWFGO-DYZYQPBXSA-N 350.231 4.295 0 1 FIAF Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1C 587850652 DUXJNIICTWGYFS-NXSYQRQQSA-N 355.276 4.285 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(C)cc1N 587865627 DUDMYGLVPTYTEJ-UHFFFAOYSA-N 362.355 4.242 0 1 FIAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(C(=N)N)cc3[nH]2)cc1 587938697 ZATVUHIOXZWHHJ-FQEVSTJZSA-N 356.429 4.036 0 1 FIAF OC[C@]1(c2c[nH]c3ccccc23)NCCc2cccc(-c3ccccc3)c21 962657716 CUJQUZAJUKNUFA-XMMPIXPASA-N 354.453 4.217 0 1 FIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](Cc2ccccc2)(C2CCCC2)N1 962926573 XKNJGLSNQXPWOJ-RBBKRZOGSA-N 353.437 4.053 0 1 FIAF C/C=C(\C)C(=O)Oc1cc2c(-c3ccccc3)cc(=O)oc2cc1OC 1772627844 MTMMWSVEURVNMD-YIXHJXPBSA-N 350.370 4.340 0 1 FIAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(C2CCOCC2)cc1 1857646240 VDWAHOZOJVUUHB-UHFFFAOYSA-N 359.809 4.185 0 1 FIAF CC(=O)O[C@@H]1CC(C)=CCC=C(C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H]1C(C)C 1857742383 WYZRLZZDCWHGLN-NJDAHSKKSA-N 374.477 4.078 0 1 FIAF CCN(CC)C(=O)c1[nH]c(C)c(Cc2ccc(C(F)(F)F)nc2)c1C 1911578698 AZKGOSDWZODSQV-UHFFFAOYSA-N 353.388 4.118 0 1 FIAF CC(=CCCC1=CCOC1=O)CC=C[C@]1(C)CC[C@@H]([C@]2(C)CCC(=O)O2)O1 2356651634 UWXJDRWZPZOIOX-BWAGFHJFSA-N 374.477 4.176 0 1 FIAF C[C@]1(CO)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5CO[C@H](O)[C@@H]54)C3=CC[C@@H]12 2356805311 ZSBJRMUDYWFFJZ-HNOCGRQGSA-N 372.549 4.449 0 1 FIAF C=C1CC[C@@H]2C(=O)O[C@H](c3ccoc3)C[C@@]2(C)CC=CC=C1C(=O)OC 1651243 LXCZVMFGPWLGIO-LVCYWYKZSA-N 356.418 4.286 0 1 FIAF biogenic O=C1O[C@H](Cc2ccccc2)C(=Cc2ccccc2)[C@@]1(O)Cc1ccccc1 14585030 WGASWKHIQMYEHL-NOZRDPDXSA-N 370.448 4.212 0 1 FIAF biogenic O=C1C[C@@H]2c3ccccc3O[C@H]3c4cccc(O)c4-c4c(O)cc(O)c1c4[C@@H]23 14617068 VYRXNKPPFHPOIN-HITUBZBOSA-N 372.376 4.371 0 1 FIAF biogenic CC(C)(C)c1ccc(CNC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1 14979730 BSDCXXMEVRPTGD-UHFFFAOYSA-N 365.477 4.213 0 1 FIAF CCn1c(=O)n(Cc2nc3ccccc3n2CCC(C)C)c2ccccc21 38142846 XYGHRARQRIURDK-UHFFFAOYSA-N 362.477 4.267 0 1 FIAF O=C1[C@@H]2Nc3ccc(Br)cc3[C@H]2N=CN1CCC1=CCCCC1 40917149 CCOPSCZJPVCEHX-IAGOWNOFSA-N 374.282 4.045 0 1 FIAF CC(C)CCNc1nc(NCCc2ccccc2)c2cc(O)ccc2n1 45169123 HOGIVNQYBSVOPE-UHFFFAOYSA-N 350.466 4.448 0 1 FIAF O=C1NC(=O)[C@H](Cc2ccc(Oc3ncc(Cl)cc3Cl)cc2)S1 45337486 QOXHRBDNLQWENQ-LBPRGKRZSA-N 369.229 4.075 0 1 FIAF Clc1ccc2c(NCCCNCc3cccc4c3OCO4)ccnc2c1 49051027 OFSBGWQDFBFFGF-UHFFFAOYSA-N 369.852 4.209 0 1 FIAF CC(C)(C)c1ccc(C(=O)N[C@H](CCc2ccccc2)CC(=O)O)cc1 73369184 RVXPGGOGXPBSDW-LJQANCHMSA-N 353.462 4.190 0 1 FIAF Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C 117238044 REUQIRONFPYTOT-UHFFFAOYSA-N 372.516 4.006 0 1 FIAF Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Nc2ccc(F)cn2)n1 148266542 CEIBXTSWBBWOPN-UHFFFAOYSA-N 358.760 4.017 0 1 FIAF OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc2ccccc2c1 169310661 PMDDJJIHWAUWIM-DEOSSOPVSA-N 366.549 4.289 0 1 FIAF CO[C@H]1CCC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201111178 LQIBQKJUPJGWMQ-WSBRVHRESA-N 371.521 4.038 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2cccc(Cl)c2[nH]1)C(F)(F)F 587092406 MCCGSLRMMWZMNV-MRXNPFEDSA-N 369.774 4.380 0 1 FIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587116975 OAKPRTSXRUODMD-UHFFFAOYSA-N 369.656 4.049 0 1 FIAF Fc1cc(Br)cnc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587155413 LJQAWOHQHUSOCA-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF CN(Cc1ccccc1Cl)C(=O)Cc1cc2c3c(cccc3n1)CC2 587209574 RTZDWWVTXPZFSA-UHFFFAOYSA-N 350.849 4.188 0 1 FIAF COC(=O)c1cc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2cn1 587239918 BUJLRFVQNUDERZ-UHFFFAOYSA-N 374.400 4.164 0 1 FIAF C[C@@H]1CCC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587353837 PEKRZBNCWQIBBD-CECALHEMSA-N 354.377 4.018 0 1 FIAF Cc1ccc2c(c1)CCCN2[C@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397984 DDKSBLPFXMNXIL-WAIKUNEKSA-N 364.489 4.451 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1c(N)sc(C)c1C)(C1CC1)[C@@H](C2)C3=O 587449869 FAVXPAWSJIUDAB-XOBRGWDASA-N 355.459 4.009 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccsc1Br)[C@@H](C2)C3=O 587453913 VDYYSARJGNDRTF-IINYFYTJSA-N 351.221 4.008 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)CC[C@@H]1C(=O)OC 587480020 MYCXALGFARWEAU-QVKFZJNVSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)Cc1ccc3c(c1)OCO3)CC2=O 587493141 SETSMIMWMFDJRP-RBZFPXEDSA-N 368.429 4.286 0 1 FIAF Cc1ccc(C(=O)O)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587528611 CSPVIRPHOTZXGF-QFIPXVFZSA-N 350.414 4.453 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1OCC2 587606880 FLEJHNLCAHUDJH-XMSQKQJNSA-N 360.365 4.030 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(F)c1 587865163 WEIOOGIQOGXWTE-UHFFFAOYSA-N 351.303 4.491 0 1 FIAF COc1ccc2nc([C@H]3NCCc4cccc(-c5ccccc5)c43)[nH]c2c1 962671096 RSUKSQWBWORFFX-QFIPXVFZSA-N 355.441 4.474 0 1 FIAF O=C1COc2ccccc2[C@@H](c2nc3ccccc3[nH]2)N1Cc1ccccc1 95569789 PLCXWOGDNAHUPE-QFIPXVFZSA-N 369.424 4.074 0 3 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 5921127 ZOIUUCNFVDJSJK-BNJHIVMMSA-N 374.569 4.039 0 1 FIAF CCCCC/C=C1/C[C@@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O 6004479 SJBCBDAKOWZLGU-SYEXPRJDSA-N 368.514 4.033 0 1 FIAF CCc1ccccc1OC[C@H](O)CNC(C)(C)Cc1cc2ccccc2[nH]1 28135728 JUPPMMQRNBXSGO-HXUWFJFHSA-N 366.505 4.081 0 1 FIAF [O-][n+]1cnc2c(c1)CN=C(c1ccccc1Cl)c1cc(Cl)ccc1-2 29390034 GBYJSQRDSMCCGH-UHFFFAOYSA-N 356.212 4.040 0 1 FIAF CCc1nnc(NC(=O)C2(C[C@H](CCC(C)C)C(=O)O)CCCC2)s1 34803402 ZCIGPBBBUAXLTA-ZDUSSCGKSA-N 367.515 4.127 0 1 FIAF CC12C[C@](C)(C(=O)Nc3nncs3)C(c3ccccc31)c1ccccc12 40405602 ICFLHQGITDWVMH-JITJBCMDSA-N 361.470 4.338 0 1 FIAF O=C(C[C@H](C(=O)Nc1ccccc1)n1ccnc1)c1ccc2c(c1)CCCC2 45364026 FLRUUDJQRMIWHO-OAQYLSRUSA-N 373.456 4.215 0 1 FIAF NCCCCN(Cc1nccc2ccccc12)[C@@H]1CCCc2cccnc21 49784817 NHSNBTWGVOWXQZ-JOCHJYFZSA-N 360.505 4.248 0 1 FIAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)C)nnc2c1 68119991 BCIQCPXEEAVJCW-UHFFFAOYSA-N 366.440 4.034 0 1 FIAF COc1cc(C(=O)c2cc3ccc(Cl)cc3n2C)cc(OC)c1OC 72107993 VIRUMYIQKCNPDM-UHFFFAOYSA-N 359.809 4.089 0 1 FIAF CC1CCN(CCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1 95552698 WHPYENGTZBLIKQ-UHFFFAOYSA-N 354.281 4.290 0 1 FIAF CCn1cc(Cc2nc3c(-c4ccc(C(F)(F)F)cc4)cccn3n2)cn1 96169734 SQFZEFXMGZLQLN-UHFFFAOYSA-N 371.366 4.222 0 1 FIAF COc1ccc2c(c1)CC[C@@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620808 UIWIDYSPPPGYID-RBBKRZOGSA-N 360.457 4.288 0 1 FIAF Cc1nn(-c2cc(-c3ccccc3)c(Cl)cc2F)c(=O)n1C(F)F 103182894 LKGXCHDBWGQONF-UHFFFAOYSA-N 353.731 4.197 0 1 FIAF CCOC(=O)/C=C1/CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169359460 SLLCGKGKUIUVBU-ORLFKDCUSA-N 371.521 4.465 0 1 FIAF CC(=O)N1c2ccc(-c3ccco3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C 584904835 OZBRAEGGHPSXJE-SUMWQHHRSA-N 356.422 4.267 0 1 FIAF in-vitro CC(C)CCOC(=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990425 XMBCOPTWSLGGFZ-UHFFFAOYSA-N 361.397 4.355 0 1 FIAF COc1cc(/C=C/c2nc3cc[nH]c(=N)c3[nH]2)cc(Cl)c1OCC(C)C 587046793 MJGPOKPURBBJHK-SNAWJCMRSA-N 372.856 4.238 0 1 FIAF COC(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587135417 ZSBLKIIOIMSBNH-HYXAFXHYSA-N 368.261 4.215 0 1 FIAF COC(=O)c1cc2[nH]c([C@@H](C)CSc3ccc(F)cc3)nc2cc1OC 587170574 QQCJXUMRDUPXCJ-NSHDSACASA-N 374.437 4.393 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cscc1Br)[C@@H](C2)C3=O 587450159 FFEYYPKRCHLNRS-BJOHPYRUSA-N 351.221 4.008 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cncc(Br)c1)CC2=O 587461105 WQBMXPWKDWANEA-INIZCTEOSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]1OCc1ccccc1)CC2=O 587479003 LPYUSYIQRVKKAZ-IFMALSPDSA-N 352.430 4.428 0 1 FIAF CN(C)c1nc(Cl)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499091 LAFSQGDLSQMEIE-QGZVFWFLSA-N 356.853 4.386 0 1 FIAF CNc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576247 GEWOTBJJBRHQHO-KNQAVFIVSA-N 361.397 4.311 0 1 FIAF CC1(C)SC(C)(C)C12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587618634 PBJCJUBVHHJOCU-HNNXBMFYSA-N 356.443 4.397 0 1 FIAF Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587619840 ZVRUWODMKOUEQQ-DYESRHJHSA-N 350.370 4.479 0 1 FIAF CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2cccc(F)c12)c1ccccc1C 587635484 MJSDQJJGNPUSGE-UHFFFAOYSA-N 366.392 4.076 0 1 FIAF O=C(C1CCCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660165 OHGQNNZLVSPDNX-UHFFFAOYSA-N 350.393 4.423 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(O)cc2F)N1 587720986 UWHSZGFJCQEPBM-VGDKGRGNSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CN2CCCC2)N1 587769632 YSOQIWQVVBQWNS-PXAZEXFGSA-N 369.322 4.286 0 1 FIAF Cc1cncc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587772681 GANSXVQFKTVNOK-KPZWWZAWSA-N 363.274 4.500 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ncccc23)N1 587801671 HSFGONMTNDUTQO-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(O)ccc32)N1 587831571 ICJDMNSXWNLJFQ-MGNBDDOMSA-N 362.242 4.018 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccccc2)no1 587871864 OILHQXLNTPCUKZ-UHFFFAOYSA-N 350.353 4.127 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1ccccc1O 587872040 HQLIRAJVTSDNLY-UHFFFAOYSA-N 372.421 4.226 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)c(C)nc2[nH]1 587930321 OBQZUBLLPAHYPC-KZULUSFZSA-N 372.266 4.483 0 1 FIAF CCN(CC)C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1 653773194 NIQJTKGOEYZUIZ-UHFFFAOYSA-N 362.433 4.233 0 1 FIAF CCCC(=O)[C@@H]1C(=O)CC[C@@H](c2cccc(Oc3ccccc3)c2)C1=O 957811102 UKDMTZGUPNXVMS-GHTZIAJQSA-N 350.414 4.480 0 1 FIAF Fc1ccc2c(c1)OCC[C@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962700736 KIVMJEYJHQWSJV-VFNWGFHPSA-N 373.468 4.355 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(C)nn(-c3ccccn3)c2C)N1 962941871 BHYAGEPRONILAO-MWTRTKDXSA-N 371.488 4.379 0 1 FIAF Cc1sc2c(c1C)CCN[C@H]2c1ccccc1N(C)C1CCN(C)CC1 963011455 PWDZGNBVUVCLDD-NRFANRHFSA-N 369.578 4.130 0 1 FIAF COc1ccc(-c2cccc(C)c2NCCCn2ccnc2)cc1OC 1772602825 FTLJIXDEUWPJFS-UHFFFAOYSA-N 351.450 4.378 0 1 FIAF COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)c2ccc(OC)cc2n1O 1857554829 DXTCRDCCDJTKKY-UHFFFAOYSA-N 365.307 4.360 0 1 FIAF CCn1c(C=Cc2cc(Br)ccc2O)nc2ccccc2c1=O 1857593224 KQAOKFBKVJSZRN-UHFFFAOYSA-N 371.234 4.055 0 1 FIAF CC=C[C@H]1[C@@H](C(=O)OCc2c(F)c(F)c(COC)c(F)c2F)C1(C)C 1857627258 KVIZNNVXXNFLMU-RYUDHWBXSA-N 360.347 4.281 0 1 FIAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)C(=O)[C@H](C)[C@@H]2C(C)(C)CCC[C@@]23C)CO1 2356740925 UPPVCQPPDGQFKZ-GWPIORAISA-N 364.526 4.355 0 1 FIAF CC[C@@H]1CN2CC[C@H]1C[C@H]2COC(=O)Nc1cccc(C(F)(F)F)c1 2356866765 VOUIYZULMOEQEV-WWGRRREGSA-N 356.388 4.374 0 1 FIAF Cc1ccc(SCc2oc3ccc(O)c(CN(C)C)c3c2C(=O)O)cc1 3622794 AMOKQPNAQYXGGV-UHFFFAOYSA-N 371.458 4.499 0 1 FIAF Cc1nc2ccccc2c2oc(C(=O)NCCN(C)C3CCCCC3)cc12 4902861 JYYTZYGKJRWCDL-UHFFFAOYSA-N 365.477 4.284 0 1 FIAF O[C@@](Cn1ccnc1)(c1ccc(F)cc1)c1cccc(-c2ccccn2)c1 26941339 IDMXNYQQLJPJQO-QFIPXVFZSA-N 359.404 4.020 0 1 FIAF c1ccc2c(CNCCCCNCc3ccnc4ccccc34)ccnc2c1 28257157 PGBQKRDRORISIO-UHFFFAOYSA-N 370.500 4.443 0 1 FIAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(C)cc3O)c(C)nn12 28360981 XQYOXZOPQKLAPT-UHFFFAOYSA-N 353.470 4.049 0 1 FIAF O=C(NCc1ccccc1)[C@H](c1ccccc1)N1C(=O)C[C@@H]1c1ccccc1 28525049 GMLNMOGSFGZVEE-GGAORHGYSA-N 370.452 4.018 0 1 FIAF CC/C=C\C/C=C\C[C@H](O)/C=C/[C@H](O)[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 38895358 XZIRYBKRPWWONW-YHQVOYQUSA-N 362.510 4.079 0 1 FIAF CCCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1 40956799 KRNZWFKAPBBIRZ-UHFFFAOYSA-N 357.461 4.364 0 1 FIAF Cc1cccc2oc(NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)nc12 66104911 NDSGYGHPUDRZNU-UHFFFAOYSA-N 373.453 4.112 0 1 FIAF Cn1c(-c2ccc(C(=O)O)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71317746 UQMHXMBURPDAGQ-UHFFFAOYSA-N 367.836 4.304 0 1 FIAF Clc1nn2c(-c3ccc(Br)cc3)nnc2c2ccccc12 82060454 GPSCNXWOOAIKHF-UHFFFAOYSA-N 359.614 4.360 0 1 FIAF COc1cc(CCNc2cncc(Oc3ccccc3F)n2)cc(OC)c1 82068466 VYQVGFGZHDXDAF-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF C[C@@H](Nc1nccc(N2C(=O)OC[C@H]2c2ccccc2)n1)c1ccccc1 142141256 QCXPJZQKUIHMPR-QAPCUYQASA-N 360.417 4.348 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCSCC(=O)O 149990318 HXKXLQBESTZVLE-FNENMXBPSA-N 356.528 4.067 0 1 FIAF CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166031914 GBBURVMXNCSFRE-UHFFFAOYSA-N 369.440 4.149 0 1 FIAF FC(F)(F)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 169316125 ITTMMDHSFURXFY-UHFFFAOYSA-N 362.742 4.291 0 1 FIAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(=O)[C@@H](C)CC/C=C\2 169368740 AOLDAQSREUYBEV-RIJNJYOMSA-N 360.450 4.432 0 1 FIAF COc1cc2c(cc1O)CCN[C@H]2CCc1ccc(C(F)(F)F)cc1 299853177 GTAHLGAKOCPHSR-INIZCTEOSA-N 351.368 4.239 0 1 FIAF O=C1c2ccccc2C(=O)N1CCCCCCCNCc1ccccc1F 299854523 ABMUIKNLWXQBLZ-UHFFFAOYSA-N 368.452 4.162 0 1 FIAF Brc1cccn2ncc(-c3nc4ccc5ncccc5c4[nH]3)c12 587007439 XVVWNZOVKQJTHB-UHFFFAOYSA-N 364.206 4.188 0 1 FIAF CC[C@H](C)n1cc(Cl)c(-c2nc3nccc(Br)c3[nH]2)n1 587079909 LTZPKJHRLGNWRY-ZETCQYMHSA-N 354.639 4.208 0 1 FIAF O=C(O)c1ncccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105715 FZGJIHOQFGIKNA-UHFFFAOYSA-N 352.349 4.206 0 1 FIAF COc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1C 587169195 WXZBYSRESTWHKO-UHFFFAOYSA-N 363.396 4.144 0 1 FIAF NC(=O)Nc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587243441 LORKISBTHPOGSJ-UHFFFAOYSA-N 358.401 4.300 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3ccnc3)c(Cl)c1)O2 587377751 YHHCHVFZBUMYTN-SFHVURJKSA-N 353.809 4.123 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CCC1)([C@@H](C)C(=O)OC(C)(C)C)O2 587399255 HTLJOLUINJZDMK-YEJXKQKISA-N 359.466 4.059 0 1 FIAF O=C1C[C@@]2(CCN(c3ccc(F)cc3)C2)Oc2c1ccc1c2CCCC1 587506544 KTQZULNGUSKCND-JOCHJYFZSA-N 351.421 4.319 0 1 FIAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1OC 587510291 KGCOHLLIOIKNMH-JOCHJYFZSA-N 367.445 4.045 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(O)c1F 587557339 MVMRFJDENYHNSA-FOIQADDNSA-N 370.307 4.079 0 1 FIAF CC(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)co1 587587962 QTAIAQDFMJBGIQ-LPHOPBHVSA-N 351.358 4.207 0 1 FIAF CC(C)c1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)co1 587588905 VFEZBMRZCDJHCH-UTKZUKDTSA-N 365.385 4.381 0 1 FIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587612629 MFIQVNBRUQGYMX-VQIMIIECSA-N 354.383 4.165 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncccc1Cl 587657198 PXSWJPYIMPSBPZ-UHFFFAOYSA-N 351.768 4.240 0 1 FIAF CCCn1nc(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587763047 HOPVEOGWWGCZPW-QGHHPUGFSA-N 366.278 4.127 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)n[nH]2)N1 587796608 QGUYOEIZNIWJMV-ABKXIKBNSA-N 366.278 4.232 0 1 FIAF CCC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816342 WSVFFZDAPVVUOC-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF C[C@H]1CC(C)(C)C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587817757 AVNKFLCEAZXBCZ-PISHQANHSA-N 368.290 4.343 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCCC2OCCO2)N1 587832256 JEFQBAKKPSXRKJ-BZNIZROVSA-N 372.278 4.097 0 1 FIAF Cc1nc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc1C 587850447 DULXQDYWJICYBV-VPTHRUTESA-N 369.303 4.459 0 1 FIAF CO[C@H](c1cncs1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587857305 ZOMUAZGLCADSQA-PVJOKMEKSA-N 371.275 4.008 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(F)c1F 587868600 PLKQLJXBRLAESG-UHFFFAOYSA-N 355.266 4.240 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(C1(c3ccccc3)CCCC1)NCC2 962926354 NTNADIZOZBQFBO-QHCPKHFHSA-N 362.517 4.261 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c[nH]c2c3c(ccc12)CCC3 963635625 NHHVNABBSNSOAX-JCQPUDPBSA-N 362.473 4.297 0 1 FIAF COc1ccc(NC(=O)c2csc(Nc3cccc4[nH]ncc34)n2)cc1 1857580688 FNOYPKNOFWTOCK-UHFFFAOYSA-N 365.418 4.024 0 1 FIAF CCN(CC)C(=O)Cn1c2ccccc2c2cc(Br)ccc21 1857636454 GQKKDXVJZQPZMJ-UHFFFAOYSA-N 359.267 4.425 0 1 FIAF Cc1nc2c(cc1Cn1cc(-c3cccnc3)nn1)CCCc1ccccc1-2 1857754756 DVFRGYJQJJLUSZ-UHFFFAOYSA-N 367.456 4.248 0 1 FIAF CC(C)c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2cn1 1857772806 AHXYZLOQCHIYOQ-UHFFFAOYSA-N 370.884 4.005 0 1 FIAF CC1=C[C@@H](C/C(C)=C\COc2c3occc3cc3ccc(=O)oc23)OC1=O 14516843 XVVBVBKVMMNZHB-FJCDDACJSA-N 366.369 4.126 0 1 FIAF endogenous,in-man CCCCCC[C@@H](C)C(=O)C=C1C(C(=O)OC)=C2C=COC(C)=C2[C@@]1(C)O 14696199 DYUPDLYFDGWNBP-PEBXRYMYSA-N 374.477 4.141 0 1 FIAF biogenic CC[C@H]1CCCCN1CCCNC(=O)c1cc2ccc3cccnc3c2[nH]1 20575432 UTAZDAGCYHRNCP-SFHVURJKSA-N 364.493 4.101 0 1 FIAF O=C(CCCCC(=O)c1ccc(Cl)cc1)Nc1ccc(C(=O)O)cc1 29203341 PGESTNNUSWJJLG-UHFFFAOYSA-N 359.809 4.420 0 1 FIAF COc1cc(Nc2ncnc3c2sc2cccnc23)cc(OC)c1OC 95572502 MLGHKWWHCUITRS-UHFFFAOYSA-N 368.418 4.009 0 1 FIAF CCOC(=O)c1c(O[C@@H]2CCCC[C@H]2C)cc(Cc2ccccc2)[nH]c1=O 95591316 FWOVIMRVMZFCMB-CRAIPNDOSA-N 369.461 4.100 0 1 FIAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccnc2)C2=C(O)CCCC2=N1 104003968 FQRBNHIPSYYIEE-HXUWFJFHSA-N 374.444 4.232 0 1 FIAF Cc1cc(C(=O)O)nn1Cc1nc(-c2ccc(Cl)c(Cl)c2)cs1 115476687 DDILDGLLHMENPD-UHFFFAOYSA-N 368.245 4.368 0 1 FIAF Cc1cc(Br)c2[nH]c(C[C@H]3CCc4occc4C3=O)nc2c1 586909246 XDSSGXGJFQARHG-SNVBAGLBSA-N 359.223 4.215 0 1 FIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(Cl)ccnc3[nH]2)c1 586916158 WIDUHYFQWDNOFG-UHFFFAOYSA-N 365.776 4.380 0 1 FIAF Cc1nn(Cc2nc3cc4ccccc4cc3[nH]2)c(C)c1Br 586978856 LACHAJVJULUNGG-UHFFFAOYSA-N 355.239 4.340 0 1 FIAF COc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1C 587004793 YKOTXLVSGJEWOX-UHFFFAOYSA-N 357.211 4.186 0 1 FIAF Brc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cn1 587022738 WLUQBZGFEOPYKL-UHFFFAOYSA-N 371.263 4.435 0 1 FIAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(Br)c(F)c2[nH]1 587059133 OKIFIKJQXMRZDE-NSHDSACASA-N 368.637 4.360 0 1 FIAF Cc1c(F)ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587127023 KQKFFKSZLMWOIH-UHFFFAOYSA-N 350.275 4.452 0 1 FIAF Fc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)c(F)c3[nH]1)O2 587175277 XEGVTSQTPHBSSL-LBPRGKRZSA-N 351.150 4.280 0 1 FIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(F)c(F)c2[nH]1)C(C)(C)C 587203320 FJROADXMHVYIPU-GFCCVEGCSA-N 353.413 4.323 0 1 FIAF C[C@]1(c2cncs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587373043 KRUIQLOAZFSCMK-PKOBYXMFSA-N 355.390 4.262 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Cl)nn3)cc1)O2 587382100 NRXUWGFQJQWKSB-SFHVURJKSA-N 365.820 4.394 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccccn3)cc1)O2 587393790 MLVXUYDDOCEBSR-NRFANRHFSA-N 360.413 4.258 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)CCCN3C(C)C)O2 587400671 RBLAOIJMKNEBFF-OAQYLSRUSA-N 350.462 4.445 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N)cc1)(c1cccs1)O2 587410946 ACFDNNUEHSVRMG-FQEVSTJZSA-N 350.443 4.130 0 1 FIAF C[C@@H](O)[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503648 WFMITRWCZSQSFG-ASSNKEHSSA-N 356.849 4.460 0 1 FIAF O=C1C[C@@H](c2ccc(N3CCOCC3)s2)Oc2c1ccc1c2CCCC1 587530614 GDOIAYYLXITBFZ-SFHVURJKSA-N 369.486 4.170 0 1 FIAF Cc1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587570692 XFWZCIVHVJTXQR-UTKZUKDTSA-N 366.344 4.248 0 1 FIAF CC/C(C)=C(/N)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577212 JSDKGXZNYXQQEF-LBCPOGTJSA-N 353.418 4.145 0 1 FIAF CCN(/C=C(\F)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)CC 587707235 UXTHZYDZJFRCDX-PVCHJARQSA-N 359.258 4.316 0 1 FIAF CCn1c(C)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587755795 QPKZPCJARHKREV-DYZYQPBXSA-N 351.263 4.342 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)s2)N1 587848936 QAWMEFWHXXWSGV-GLEZIHRCSA-N 354.244 4.086 0 1 FIAF COc1ccc([C@@H](c2ccccc2)c2nc3nc(Cl)c[nH]c-3n2)cc1 587932361 DHHCWKFLNQXUKC-MRXNPFEDSA-N 350.809 4.147 0 1 FIAF COc1cc(C(C)=O)c(OC)n1-c1cc(Cl)cc(Br)c1 587940973 OLYUXVFOHVONIO-UHFFFAOYSA-N 358.619 4.113 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@H]2c1c(F)cc(Cl)cc1OC 963260130 WDPWNBKDHPQCGG-QGZVFWFLSA-N 356.224 4.385 0 1 FIAF CCN(CC)[C@@H]1CCCC[C@@]12c1cccc(Br)c1CCN2C 963288507 CLACDRGEPITWKA-RTBURBONSA-N 365.359 4.417 0 1 FIAF Clc1ccc(-c2nnn(CCCN3CCC[C@H]3c3ccccc3)n2)cc1 1857535493 BQLZYNUTJFEOJK-IBGZPJMESA-N 367.884 4.221 0 1 FIAF O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(F)cc1 1857549127 ZWOGDTJABZSCJD-UHFFFAOYSA-N 368.389 4.435 0 1 FIAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@@H]1[C@H]1CC=CCCC(=O)O1 2356668414 PAVKIXOXXHKTAR-XDWAVFMPSA-N 362.510 4.079 0 1 FIAF Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccccc1O)c1ccccc1 787615 LGTOTOCUYMHRLS-OAQYLSRUSA-N 374.440 4.119 0 1 FIAF COC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 3815189 RGKYDFXVADGYLB-UHFFFAOYSA-N 373.210 4.314 0 1 FIAF CO[C@@H]1CC2=CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1O 13587846 NGSWUPZJKYFTDE-FADSCHIBSA-N 373.581 4.421 0 1 FIAF biogenic Cc1ccc2nc(-c3ccccc3O)n(CCc3cccc(F)c3)c(=O)c2c1 28340246 RQHPFDLUFONHEV-UHFFFAOYSA-N 374.415 4.459 0 1 FIAF Cc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](c3ccc(Cl)cc3)O2)cc1 28768453 YEFXQLLIGSJVJU-PMACEKPBSA-N 354.837 4.486 0 1 FIAF CCCN(C=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 36189586 XHPVQFBYVYPXDZ-UELNVNDJSA-N 374.569 4.087 0 1 FIAF O=S(=O)(Nc1cc(Cl)nc(Cl)c1)c1cc(Cl)cc(Cl)c1 40411067 FTJUFJXUEDHFBG-UHFFFAOYSA-N 372.060 4.496 0 1 FIAF Cc1c(-c2cc(-c3c(F)cccc3Cl)no2)cnn1C1CCNCC1 40972761 PVEBSIDPZPWPTL-UHFFFAOYSA-N 360.820 4.231 0 1 FIAF CC1=CC2=NC[C@@H](C(=O)c3ccc(OCc4ccccc4)cc3)CN2C=C1 43024098 USLJJFFTGASJIV-HXUWFJFHSA-N 358.441 4.252 0 1 FIAF OCCCCN1CCN(/C(=C/c2cccc(Cl)c2)c2ccccc2)CC1 45365090 NUTXMTRRKUIDED-RELWKKBWSA-N 370.924 4.228 0 1 FIAF CCO[C@H](c1ccc(Cl)cc1)[C@H](n1ccnc1)S(=O)(=O)C(C)(C)C 45365850 LEBRSRSANYGCEZ-HZPDHXFCSA-N 370.902 4.026 0 1 FIAF COc1cc(CC(=O)NCc2ccc(C(C)(C)C)cc2)c(Cl)cc1O 64436484 JPAGTMSNENMGOF-UHFFFAOYSA-N 361.869 4.211 0 1 FIAF COc1cc(-c2nc(CN[C@@H](C)c3ccccc3)co2)cc(OC)c1OC 72181838 WNNIRMAVPNIVMU-AWEZNQCLSA-N 368.433 4.218 0 1 FIAF Cc1ccccc1-c1nc(N2CCOCC2)ncc1-c1nc(C)c(C)s1 82177418 CHFAWYIOCKEZRU-UHFFFAOYSA-N 366.490 4.029 0 1 FIAF COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccc(C)cc3)ccc1O2 95578691 XJPGCXFUFOVMHC-QHCPKHFHSA-N 372.424 4.365 0 1 FIAF O=C(NCC1CC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 145309818 QBHHPAVYYCLELV-UHFFFAOYSA-N 360.417 4.152 0 1 FIAF CC(=O)O[C@@H]1[C@@H](OC(=O)C=C(C)C)C[C@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C 238760535 BFTOORVCRFGUHC-XYVOASCCSA-N 374.477 4.159 0 1 FIAF Oc1cccc(CCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 586896385 DABGLOFBQYCYJS-UHFFFAOYSA-N 353.166 4.094 0 1 FIAF Cc1ccc(-n2ccnc2SCc2nc3c(Cl)ncnc3[nH]2)c(C)c1 586966498 OOTUTPRNKXLFJV-UHFFFAOYSA-N 370.869 4.101 0 1 FIAF COC(=O)c1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017826 QOBJCHFNWKBJMX-UHFFFAOYSA-N 370.821 4.188 0 1 FIAF Cn1nccc1[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587105063 MSVBSJXKFVGSAX-AWEZNQCLSA-N 365.436 4.452 0 1 FIAF Nc1ccc(-c2ccc3nc(-c4ncccc4C(F)(F)F)[nH]c3c2)cc1N 587108679 OUQFCKLEJQUPPI-UHFFFAOYSA-N 369.350 4.475 0 1 FIAF COc1c(F)cc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1F 587134498 HPOCIIVBGSLWDN-UHFFFAOYSA-N 357.129 4.418 0 1 FIAF Cc1cc(C)c2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 587196775 BTXKPXMCDFWNFH-HNNXBMFYSA-N 359.470 4.096 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Cl)ncc2[nH]1 587201864 XVLXIGNLRXPSRB-UHFFFAOYSA-N 352.866 4.192 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc(C4CCC(N)CC4)[nH]c3c2)cc1 587256748 QUNUJUIGQJFJPZ-UHFFFAOYSA-N 365.433 4.127 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCCCC[C@@H]2O)[C@H]1c1ccc(F)cc1 587349847 GCUTZIXLLBZMBX-ONTIZHBOSA-N 370.420 4.344 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccc(Cl)cc3)c1)O2 587381080 ZVSOEYUJGNYENX-HXUWFJFHSA-N 367.836 4.297 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC(F)(F)F)cc1)O2 587381684 HXTBBZHQCSPYFZ-QGZVFWFLSA-N 351.324 4.356 0 1 FIAF COc1ccc2c(OC)ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587404095 VCJAPWIMNKGPIP-OAQYLSRUSA-N 363.413 4.454 0 1 FIAF Cc1nc(-c2ccccc2Cl)sc1-c1ccc2c(O)nc(O)nc2n1 587563819 LHPNXGDWBGPNBH-UHFFFAOYSA-N 370.821 4.188 0 1 FIAF CC[C@@]1(c2ncccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587767960 CBQNYMRIAPZGPB-KZULUSFZSA-N 363.274 4.479 0 1 FIAF CCc1cccnc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774775 XQLWPWKWLICOSK-VOJFVSQTSA-N 363.274 4.343 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3ccccc32)N1 587841070 LWMUASGRJNEVPJ-VOJFVSQTSA-N 360.226 4.272 0 1 FIAF C[C@]1(CC(=O)Nc2ccccc2F)c2c(F)cccc2C[C@@H]2CCCN21 963105505 MRGTWYLHIPVWBJ-BTYIYWSLSA-N 356.416 4.229 0 1 FIAF COc1ccc(-c2ccc([C@@H]3NCCc4c(C(=O)O)cccc43)s2)cc1 963128476 ANZCSCIUGALELV-HXUWFJFHSA-N 365.454 4.357 0 1 FIAF FC(F)(F)c1cccc(C[C@@]2(COc3cccnc3)CCCNC2)c1 1857545561 XCLPQCOSKYRJOS-SFHVURJKSA-N 350.384 4.092 0 1 FIAF Cc1nc2ccccc2n1CCCCC(=O)Nc1ccc(O)c2ncccc12 1857556868 NKIHHJPFGDMFTK-UHFFFAOYSA-N 374.444 4.408 0 1 FIAF COc1c(C)n(OC)c2c(c1=O)[C@H](CCCCCc1ccccc1)CCC2 2356336732 QTWGFCPXTHDILL-LJQANCHMSA-N 369.505 4.447 0 1 FIAF O=C(O)C=C[C@@H]1[C@H]2C=C[C@H]3[C@H]1C[C@@H]1[C@H](CCCc4ccc(O)cc4)[C@@H]2[C@H]31 2356337443 ZCRUGKKXGAGXFI-FYRHABGPSA-N 350.458 4.286 0 1 FIAF C[C@H](C[C@@]1(C(=O)O)[C@H]2CCC=C3C(=O)OC[C@@]32CC[C@H]1C)c1ccoc1 2356463889 QJSXPJCSCZFGGZ-GMLTWURCSA-N 358.434 4.154 0 1 FIAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356560675 ARNLHXDQNOMBKB-UGCIQDCYSA-N 359.554 4.055 0 1 FIAF C[C@@H]1[C@H](Cc2ccc3c(c2)OCO3)O[C@@H](c2ccc3c(c2)OCO3)[C@@H]1C 2356721021 QPBYXPLUADJZPQ-BRRGDZDMSA-N 354.402 4.099 0 1 FIAF O=C(O)Cn1cc(Cc2nc3c(F)cc(F)cc3s2)c2ccccc21 11536233 LBSWZVZSRDJJKZ-UHFFFAOYSA-N 358.369 4.205 0 1 FIAF COc1c2c(c(COC(=O)C=C(C)C)c3c(C)coc13)[C@H](C)[C@@H](O)C=C2 13300583 KRTZWKXGTALWRE-CJNGLKHVSA-N 356.418 4.250 0 1 FIAF biogenic CCCCCCNC(=O)c1cc(/C=C/c2cc(O)ccc2O)ccc1O 13518015 LGRRPYSGGSQIGB-SOFGYWHQSA-N 355.434 4.284 0 1 FIAF COc1cc(O)c(Br)c2cc(-c3ccc(O)c(F)c3)oc12 28365964 ZSLKBKOUYSETPX-UHFFFAOYSA-N 353.143 4.421 0 1 FIAF CC[C@@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 29417051 HRZJJXGXZVSRIB-KJFZJZGVSA-N 353.915 4.379 0 1 FIAF Cc1ccc(-n2c(=O)c3ccccc3n3c(-c4ccccc4)nnc23)cc1 40895005 WJOGTJFTASWBIM-UHFFFAOYSA-N 352.397 4.009 0 1 FIAF O=C(NCc1ccccc1)[C@@H]1CCCc2c1c1ccccc1n2CCF 82154403 RVLOQSVTINRGFX-GOSISDBHSA-N 350.437 4.347 0 1 FIAF CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 84725821 GPZUWAHQDYJABE-KRWDZBQOSA-N 364.488 4.155 0 1 FIAF O=C1c2cc3ccccc3cc2O[C@@H]2c3[nH]c4ccc(O)cc4c3CCN12 220401284 SBQYBVFOJNEGRZ-JOCHJYFZSA-N 356.381 4.116 0 1 FIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(C)c(C)c2[nH]1 586974621 WINFWPQVJGCBPX-SFHVURJKSA-N 353.491 4.290 0 1 FIAF Fc1cc(Br)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587035445 QFWBQRROABIWET-LBPRGKRZSA-N 367.243 4.383 0 1 FIAF COC(=O)c1ccnc2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 587047747 BLLDVENVURAZFQ-UWVGGRQHSA-N 362.216 4.322 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cnccc2[nH]1)c1cccc(Cl)c1 587071823 QNWJRGDBDZJTDO-HNNXBMFYSA-N 372.856 4.420 0 1 FIAF COC(=O)c1ccnc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c12 587083775 KVZBHYDBUWBTDJ-UHFFFAOYSA-N 364.792 4.127 0 1 FIAF CCS(=O)(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587085650 ZDWZKHKETKOOQZ-UHFFFAOYSA-N 371.849 4.225 0 1 FIAF CN(C)CCOc1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587087891 ORCYAKMYTLVCFY-UHFFFAOYSA-N 354.841 4.305 0 1 FIAF Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587238369 CRQAWALNMFMKEE-UHFFFAOYSA-N 352.291 4.187 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccco1)[C@@H](C2)C3=O 587426511 DARORKFFQNWIJK-KKSFZXQISA-N 350.345 4.119 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1scc(Br)c1C)[C@@H](C2)C3=O 587454308 YAPIXXWXSSEKMI-ZUZCIYMTSA-N 365.248 4.316 0 1 FIAF CCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587616185 JBSYIZKNIDSZIF-NQIIRXRSSA-N 350.370 4.425 0 1 FIAF CCCn1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587764490 QFYVZJLTSSUESK-DYZYQPBXSA-N 366.278 4.127 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)C2(C)C)N1 587816949 GIOASOKUKHLOCX-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C=O)cs2)N1 587849679 VGVNTBJTQVMJMF-FVMDXXJSSA-N 368.271 4.260 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN[C@H](C)c1ccccc1 587870916 VJECGQPRXQFKQO-OAHLLOKOSA-N 367.424 4.079 0 1 FIAF CO[C@H](C)COC1CCC(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC1 587950597 BPYBNTILYGBCPO-XNWIYYODSA-N 360.351 4.197 0 1 FIAF CSc1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c1 587951449 VININHUJXFQWHB-RCRDTURJSA-N 356.491 4.438 0 1 FIAF COc1ccc2c(c1)[C@H](c1ccc(OC)c(O)c1Cl)N(C(C)C)CC2 962086856 DIUXVTUBAPYJEF-IBGZPJMESA-N 361.869 4.419 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1c[nH]c2nccc(Cl)c12 963050076 XVSIREGUABVPRC-LJQANCHMSA-N 364.836 4.008 0 1 FIAF CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[C@]1(C)NCCc2ccc(O)cc21 963343788 WQBABXWWFZBDKV-VGSWGCGISA-N 374.525 4.323 0 1 FIAF CCOP(=O)(Nc1ccccc1P(=O)(OCC)OCC)OCC 1653618 YWWWVNIBJQJORM-UHFFFAOYSA-N 365.303 4.171 0 1 FIAF CC(C)=CCc1cc(/C=C2\OC(=O)C(c3ccc(O)cc3)=C2O)ccc1O 13373848 QCTHCQWZIGYTPK-UNOMPAQXSA-N 364.397 4.474 0 1 FIAF COc1c(O)ccc2c1[C@H](OC)N(C)c1c-2ccc2cc3c(cc12)OCO3 13458977 CWORGVRJZYKBGS-NRFANRHFSA-N 365.385 4.045 0 1 FIAF biogenic O=C1O[C@@H](Cc2ccccc2)C(=Cc2ccccc2)[C@@]1(O)Cc1ccccc1 14585027 WGASWKHIQMYEHL-ZCYQVOJMSA-N 370.448 4.212 0 1 FIAF biogenic COc1cc(O)cc2oc(=O)c(-c3ccc(O)c(CC=C(C)C)c3O)cc12 15251835 RNFUXVIDJFTPRS-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF biogenic O=C(O)c1ccc2c(c1)[C@H]1CCN[C@@H](Cc3cccc4ccccc34)[C@@H]1N2 26669402 FPRFIUYLFZQUHW-BVYCBKJFSA-N 358.441 4.020 0 1 FIAF Cc1cccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12 28340041 UJIUSRDIMNPSIB-UHFFFAOYSA-N 356.425 4.320 0 1 FIAF O=C(Nc1ccc(-c2ccccc2)cc1)c1ccnn1CCc1ccncc1 28822050 ZQMOJOUXEQJPKP-UHFFFAOYSA-N 368.440 4.440 0 1 FIAF CCNC(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccc1C 29038316 PMNYYANNOUULIQ-UHFFFAOYSA-N 370.503 4.491 0 1 FIAF CC[C@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 29320562 UMODTPQPINIWKV-YWQVJIEVSA-N 353.506 4.066 0 1 FIAF N[C@H]1CCN(Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1 45202748 PTHGMKSMLXDPEX-NRFANRHFSA-N 368.484 4.430 0 1 FIAF CNC(=S)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49113274 SXALTAXBVRBHJS-LBPRGKRZSA-N 359.322 4.278 0 1 FIAF COc1cccc(NC(=O)N[C@]2(c3ccccc3)CCOC(C)(C)C2)c1 72110929 ULPZXJXVYGXFLH-OAQYLSRUSA-N 354.450 4.301 0 1 FIAF O=C(O)c1[nH]c(-c2c[nH]c3ccc(O)cc23)cc1-c1c(O)[nH]c2ccccc12 85598726 AVEFAUDTSHGJQO-UHFFFAOYSA-N 373.368 4.421 0 1 FIAF biogenic,in-vitro O=C(Nc1ccc(F)cc1)[C@H]1C(=O)N2c3ccccc3Oc3cccc1c32 96178948 SWKDJILZEIQZET-SFHVURJKSA-N 360.344 4.332 0 1 FIAF Nc1ncccc1-c1cc(Cc2ccc(COc3ccccc3)cc2)no1 113993086 AJADWUCBVIBVNM-UHFFFAOYSA-N 357.413 4.489 0 1 FIAF O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2c1 116233242 TXNZOFPTVURAEY-UHFFFAOYSA-N 351.381 4.124 0 1 FIAF N[C@@H]1CCC[C@@H](c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205269784 NCUPLGKFMQIZFI-GDBMZVCRSA-N 370.460 4.067 0 1 FIAF C/C(=C/CC/C(=C\CC/C(C)=C\C(=O)O)C(=O)O)CC/C=C(\C)CO 238779572 FGJWXLZRPBWZLH-DUKFWREOSA-N 350.455 4.254 0 1 FIAF Cc1oc(-c2ccccc2)nc1CCCCC[C@H]1CO[C@@](C)(C(=O)O)OC1 261168296 SJJKYRQEZVXZHG-NBEIKUQISA-N 373.449 4.217 0 1 FIAF Oc1ccc(C2(c3nc4cc(Cl)c(F)c(F)c4[nH]3)CCOCC2)cc1 586914005 YKOUICYEULFHEZ-UHFFFAOYSA-N 364.779 4.297 0 1 FIAF Cc1ccc2c(ccc3nc([C@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c32)n1 587041728 PBVLEGIRYPDZDR-MOPGFXCFSA-N 360.486 4.366 0 1 FIAF CN(C)C(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587073431 FSOSEBOLQJVZCK-UHFFFAOYSA-N 353.853 4.388 0 1 FIAF CCc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144891 QPVMFXVVTRSDCH-AWEZNQCLSA-N 362.246 4.269 0 1 FIAF Cc1cc(Br)c2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc2c1 587164389 UNYKIBBMLSZUSM-INIZCTEOSA-N 362.246 4.424 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)cc1Br)O2 587385889 QUJDFIGPRWLIIU-OAHLLOKOSA-N 350.187 4.185 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4nc(Cl)ccc41)[C@@H](C2)C3=O 587422252 SNZBTNPUKWMYBP-LHSJRXKWSA-N 369.848 4.359 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCC4)cc1F)[C@@H](C2)C3=O 587427729 UKMAPAHABRFTCB-HTAPYJJXSA-N 367.420 4.313 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccc3nccn13)CC2=O 587462444 QGAHRUJPWMIAJW-INIZCTEOSA-N 356.809 4.352 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(O)cc1F)CC2=O 587467322 SGMDVHIEGPVTFG-HXUWFJFHSA-N 360.381 4.079 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(OC)cc1OC)CC2=O 587480126 NMYVEWHEUQIMAY-IBGZPJMESA-N 356.418 4.377 0 1 FIAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1O 587605531 AVEVQDMNTQRGPA-DENIHFKCSA-N 362.381 4.283 0 1 FIAF CC(C)Cn1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757890 HZNQQUWTNGALFK-DIFFPNOSSA-N 366.278 4.064 0 1 FIAF CC(C)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C 587761410 BGBLKTLJCJHAGJ-QGHHPUGFSA-N 366.278 4.069 0 1 FIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 587786946 TZUPDWMYFLHRLF-MNOVXSKESA-N 362.216 4.208 0 1 FIAF COc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587808943 OTLQELOFDWWLLV-ZMZPIMSZSA-N 364.258 4.395 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc2nccn2n1 587859731 LBYVIVZWNCFEIJ-UHFFFAOYSA-N 374.231 4.288 0 1 FIAF COc1ccc(/C=C\Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c(OC)c1 587929744 PKXOIQYBNXKMCW-ARJAWSKDSA-N 363.339 4.250 0 1 FIAF COc1cc(C(=O)N2c3ccccc3NC(=O)[C@@H]2C)cc(-c2ccccc2)c1 1772605922 IEXTVTCVQOEYIG-HNNXBMFYSA-N 372.424 4.350 0 1 FIAF Cc1ccc(NC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 1857536257 YZXHLFMGQCTRMS-UHFFFAOYSA-N 372.534 4.185 0 1 FIAF Cn1c(=Nc2cccc(C(F)(F)F)c2)[nH]c2cnc(-c3ccoc3)cc21 1857585094 JZHQPGAPBTZAHB-UHFFFAOYSA-N 358.323 4.413 0 1 FIAF Cc1noc(C)c1-c1ccc2nc(O)n(CCC3CCCCC3)c(=O)c2c1 1857619229 ULOSMYILEISKMI-UHFFFAOYSA-N 367.449 4.344 0 1 FIAF NCCC1=C[C@@H](CCCCCCCCC=C[C@@H](CO)CC(=O)O)CC1 2356315760 JLZZBBJQOBMZMR-AZUAARDMSA-N 351.531 4.432 0 1 FIAF O=c1c(-c2ccc(F)cc2)nc2cnc(Oc3ccccc3)nc2n1C1CC1 4238592 WAWWRWGYRYVIOX-UHFFFAOYSA-N 374.375 4.120 0 1 FIAF O=c1c2ccccc2nc2sc(Nc3cccc(C(F)(F)F)c3)nn12 8614871 MORJFGWXRGSJBK-UHFFFAOYSA-N 362.336 4.067 0 1 FIAF O=C(c1ccc(F)cc1)C1CCN(CC[C@@H]2CCc3occc3C2=O)CC1 13471711 GYKDCMFZJCNANX-INIZCTEOSA-N 369.436 4.149 0 1 FIAF COc1cccc(CCc2cc(O)c(Cc3ccc(O)cc3)c(OC)c2)c1 14811029 AKPZBCLMSVLMLQ-UHFFFAOYSA-N 364.441 4.491 0 1 FIAF biogenic,in-vitro O=C(O)CC1CN([C@H]2CC[C@@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64436490 SECVFAJWTWEYDD-XUZZJYLKSA-N 361.485 4.030 0 1 FIAF O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1CCc1ccccc1 66124581 QHCMEGFPUGYGGL-QFIPXVFZSA-N 363.844 4.232 0 1 FIAF C[C@@H]1C/C=C/CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 70462973 NBRXJADBAFQALQ-FVOPLDGLSA-N 366.841 4.319 0 1 FIAF C[C@@H](O)c1c(C(=O)NC2CCCC2)noc1-c1ccc(C(F)(F)F)cc1 72176703 OAWGZJHBKQSLRD-SNVBAGLBSA-N 368.355 4.086 0 1 FIAF COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc(C)c2)n1 82167428 VKKKDFVFZAUBFQ-UHFFFAOYSA-N 352.438 4.172 0 1 FIAF CC1(C)[C@H]2C[C@H]1CC[C@H]2CN1CCC(N2C(=O)Cc3ccccc32)CC1 100859931 VBVYMUJWPFCVLU-NSHGMRRFSA-N 352.522 4.112 0 1 FIAF CC[C@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc(Br)cc1 102051725 IUCOGAQKZSXRAC-ZOBUZTSGSA-N 366.299 4.111 0 1 FIAF C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N(C)C 103176979 IWNYJIIPZHXPNO-SNVBAGLBSA-N 355.221 4.036 0 1 FIAF O=C(CCCN1CC[C@H]2Nc3ccc(F)cc3[C@H]2C1)c1ccc(F)cc1 169332473 NPZPHLSFFIMEMK-UYAOXDASSA-N 356.416 4.211 0 1 FIAF COc1ccccc1N1CCN(CCCOc2cc(C)ccc2Cl)CC1 261086439 CPZBBQIEXIBCBF-UHFFFAOYSA-N 374.912 4.248 0 1 FIAF Cc1onc(-c2nc3ccnc(C)c3[nH]2)c1COc1ccc(Cl)cc1 587076363 RCCNACASIIOVDY-UHFFFAOYSA-N 354.797 4.462 0 1 FIAF O=C(CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)Nc1cccc(F)c1 587164124 ZIOJYXVOKKOJIT-UHFFFAOYSA-N 353.731 4.205 0 1 FIAF Fc1cc2c(c(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)c1)OCOC2 587171591 PGTWNSAQFRFGAD-UHFFFAOYSA-N 353.180 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ncc1Cl)O2 587372308 KGFTYALWHAVMGD-CYBMUJFWSA-N 367.630 4.095 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(Cc4ccccn4)c1C)[C@@H](C2)C3=O 587430967 LHFJKNQVHPBCTD-CVDCTZTESA-N 374.440 4.046 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4cccc(C)c4)c1C)[C@@H](C2)C3=O 587432121 NIMNDOQSYZTTIN-FDDCHVKYSA-N 374.440 4.295 0 1 FIAF Nc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587504280 QTRATTXKSGFIIH-MRXNPFEDSA-N 373.250 4.012 0 1 FIAF C[C@]1(c2c[nH]c3ccncc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589467 PCMXAGYIATWIKO-SIKLNZKXSA-N 372.380 4.146 0 1 FIAF CC(C)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 587796787 QDROFTMTMSKSMT-FVMDXXJSSA-N 353.235 4.323 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)CN1CCCCCC1 587871968 GBJQHORVWQJYTO-MRXNPFEDSA-N 373.472 4.240 0 1 FIAF COc1cccc(C2(c3nc4cc5c(cc4[nH]3)OCCO5)CCCC2)c1 587933627 TWESEUDTAUADND-UHFFFAOYSA-N 350.418 4.203 0 1 FIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587934764 FZSYEGYRQRMAGB-XLKFXECMSA-N 352.221 4.110 0 1 FIAF Cc1nn2c(=O)cc(-c3ccc4ncccc4c3)[nH]c2c1Cc1ccccc1 653680403 SHLSKIJTWHVCGP-UHFFFAOYSA-N 366.424 4.137 0 1 FIAF COC(=O)[C@@H]1CCc2occc2[C@@]12NCCc1cc(-c3ccccc3)ccc12 962659032 AEJCIAZWEAJWKM-XUZZJYLKSA-N 373.452 4.071 0 1 FIAF CCOC(=O)c1cccc([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)n1 962668255 PLISSNXSBPFNRI-XMMPIXPASA-N 372.468 4.335 0 1 FIAF COc1ccc(C[C@@]2(C)c3ccsc3CCN2Cc2cccnc2)cn1 962997233 KZKQSUOMMDGKLM-NRFANRHFSA-N 365.502 4.063 0 1 FIAF CCC=CCC=CC[C@@H]1O[C@@H](C=C=CBr)C[C@H]1OC(C)=O 2356524344 ADPYLPCYOQTHGO-BGMDELTPSA-N 355.272 4.442 0 1 FIAF CC(=O)OCC1=CCC=C(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@H](O)[C@@H]1O 2356608747 HEGSJGWQZOTDDO-BRKWEVRTSA-N 364.526 4.327 0 1 FIAF Oc1nc(Cc2ccc(Cl)cc2Cl)cn1Cc1nc2ccccc2[nH]1 2382222600 ZHAMKWDXQMODPF-UHFFFAOYSA-N 373.243 4.411 0 1 FIAF COc1ccc([C@H](CCN2CCCC2)c2c(O)cc(OC)cc2OC)cc1 13661643 BDSUONJLFCYUFN-IBGZPJMESA-N 371.477 4.036 0 3 FIAF COc1ccc(-c2csc([C@@](C)(O)c3cccc(F)c3)n2)cc1OC 61927000 VAVSGCKDKZDAOA-IBGZPJMESA-N 359.422 4.222 0 3 FIAF O=C1N(CC2CCCCC2)CCC[C@]12CCN(CCCC(F)(F)F)C2 11933440 XNTYHCONZOUAJS-GOSISDBHSA-N 360.464 4.224 0 1 FIAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)C(=O)O 35260755 KCLREHWZSFZTFI-YUXAGFNASA-N 357.494 4.021 0 1 FIAF CNC(=O)N1CCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 36160990 YBDDMZGLZUZRKD-IBGZPJMESA-N 364.424 4.359 0 1 FIAF Nc1nccc(-c2ccc3nc([C@@H]4COc5ccccc5C4)sc3c2)n1 49032563 WWVZNRRDWRTNIA-AWEZNQCLSA-N 360.442 4.054 0 1 FIAF CC(=O)C[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 53295029 IRJBGBHTINPQGQ-SFHVURJKSA-N 355.503 4.160 0 1 FIAF CCCN(CCC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(=O)[nH]1 71315993 RECYFKXNAKRWFR-UHFFFAOYSA-N 366.509 4.480 0 1 FIAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)c(-c2ccc(C(=O)O)cc2)c1 72107889 WROFRVATIQLXLH-FZKQIMNGSA-N 366.413 4.152 0 1 FIAF CNCc1[nH]c2c(ccc3cnc(/C=C/c4ccccc4)cc32)c1C(=O)O 72109182 WZGVYXNLNAIQSB-VQHVLOKHSA-N 357.413 4.304 0 1 FIAF COc1ccc(Cl)cc1-c1cc(NCc2ccc3c(c2)OCO3)ncn1 82161027 MUSPNJUZNDBGPC-UHFFFAOYSA-N 369.808 4.146 0 1 FIAF CCNC(=O)Oc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1 84596832 YODVJKLIRZEFFO-UHFFFAOYSA-N 358.401 4.196 0 1 FIAF COc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(-c3ccc(C)cc3)ccc1O2 95578692 XJPGCXFUFOVMHC-HSZRJFAPSA-N 372.424 4.365 0 1 FIAF CC(=O)O[C@@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2Cc3occc3[C@H](C)[C@@H]2[C@H]1O 96903773 YFPBRZZBJVPWPJ-QMXKAFJASA-N 360.494 4.310 0 1 FIAF Cc1ccc2nc3c(O)n(CCCN(C)C4CCCCC4)cnc-3c2c1 103591690 DODMKFHOUIJTRO-UHFFFAOYSA-N 352.482 4.205 0 1 FIAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1nonc1-c1ccc(O)cc1 169320939 ZSYKHGOEUNZMCY-UHFFFAOYSA-N 364.283 4.105 0 1 FIAF O=C(N[C@H]1CCc2cc(Cl)cc(Cl)c21)[C@@H]1CCc2ncsc21 220850042 CPNGQHHNJVNSLW-PWSUYJOCSA-N 353.274 4.283 0 1 FIAF CCCCCCN1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@H]1c1ccccc1 254044305 DSBYUZJTGKLKIL-BDTNDASRSA-N 368.525 4.085 0 1 FIAF O=C1C[C@@H](CCc2ccccn2)Oc2c(Br)cc(Cl)cc21 299831969 JMNSFKRRXDSEBY-GFCCVEGCSA-N 366.642 4.464 0 1 FIAF COC[C@@H](Nc1ncnc2sc(Br)cc12)c1ccccc1 299858852 HDGOAQUIXZSRIO-GFCCVEGCSA-N 364.268 4.253 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1 586915930 JFKNIOSWEXTAAU-BFUOFWGJSA-N 355.825 4.136 0 1 FIAF Cc1cccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586988939 ZXHAAOHPZHOFSH-UHFFFAOYSA-N 352.393 4.446 0 1 FIAF COC1=Cc2nc3cccc4c3c(c2[C@@H](C(=O)O)C1)-c1ccccc1C4=O 587105919 BPLLMXOLXZJOMW-HNNXBMFYSA-N 357.365 4.005 0 1 FIAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)ncc3[nH]2)c1F 587151978 JHMJBXKLMQITQP-RKDXNWHRSA-N 350.166 4.270 0 1 FIAF COC(=O)c1cc2[nH]c([C@H](C)CSc3ccc(F)cc3)nc2cc1OC 587170573 QQCJXUMRDUPXCJ-LLVKDONJSA-N 374.437 4.393 0 1 FIAF CC(C)[C@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587779101 QFOXJKYSPSTROU-KZULUSFZSA-N 363.274 4.417 0 1 FIAF CO[C@@H]1[C@H](C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 587807928 FLQBUSOAKPJUOR-ZKBKOZIGSA-N 368.290 4.153 0 1 FIAF Cc1cc(O)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587830531 CUVGEXUGPMXNNA-ADLMAVQZSA-N 364.258 4.400 0 1 FIAF CCOC(=O)c1ccc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 587926770 PECICYOYHARPGA-ZDUSSCGKSA-N 368.433 4.103 0 1 FIAF CC[C@@]1(c2cc(C(=O)O)ccc2F)c2cc(OC)ccc2CCN1C(C)C 962094778 SBCMSWHZUZZNQN-QFIPXVFZSA-N 371.452 4.453 0 1 FIAF Cc1ccc(C)c2nc(Cl)c([C@H]3NCCc4c(C(=O)O)cccc43)cc12 963120925 HZVWMNAZPIJFGF-IBGZPJMESA-N 366.848 4.438 0 1 FIAF O=c1c(-c2ccccc2)c[nH]c2c(-c3cccc(Br)c3)cnn12 1772577523 FMOKWUHQENNRRE-UHFFFAOYSA-N 366.218 4.119 0 1 FIAF CN1CCC[C@H](OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)C1 1857550099 KHLGLAZJVORACT-FQEVSTJZSA-N 356.441 4.106 0 1 FIAF O=C(Nc1cccc(Cl)c1)C1CCN(c2ncccc2Cl)CC1 1857753096 FKJPYKTYWQDOFI-UHFFFAOYSA-N 350.249 4.244 0 1 FIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CCC[C@@H](C(=O)OC)[C@]21C 2356654678 GQMLMDPVGSEQPG-XHHGLIPKSA-N 360.450 4.290 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@@]32O)C1 2356657325 BHAUPIBURFBEAG-ZFGLVRGFSA-N 374.521 4.201 0 1 FIAF CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCc1ccccc1-2 13494154 QCRRNTLOOBOZSX-UHFFFAOYSA-N 362.473 4.332 0 1 FIAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](n1ccnc1)[S@@](=O)C(C)(C)C 45390769 GOSHMJDRYBNRAC-SYJLOODJSA-N 354.903 4.360 0 1 FIAF CC(=O)N(C(=O)CC1CCNCC1)c1ccccc1-c1ccc(Cl)cc1 49049700 UTRBFEBUZFEZQO-UHFFFAOYSA-N 370.880 4.276 0 1 FIAF C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1-c1ccc(C(=O)O)cc1 72105082 HOSOJXYMCLYNNI-DYVFJYSZSA-N 366.413 4.152 0 1 FIAF COc1cccc(CNc2cncc(Oc3ccccc3F)n2)c1OC 82068591 BLFBYSUCBBLZCY-UHFFFAOYSA-N 355.369 4.037 0 1 FIAF CC1(C)Oc2cc(C(=O)c3cccc(F)c3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84669931 VMSQZJPIYNEWGD-BRWVUGGUSA-N 370.420 4.178 0 1 FIAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3cccn3CC)cc2)C[C@@H]2CC[C@@H]1N2C 100875821 ZEBKVNWXQZNPAB-YUVXSKOASA-N 366.505 4.304 0 1 FIAF C[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)n1cc(Cl)cn1 587080619 XAOQMKFTQNZFDU-ZCFIWIBFSA-N 360.042 4.438 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587085075 NHWODUYZUUPVKK-UHFFFAOYSA-N 350.809 4.133 0 1 FIAF FC(F)(F)CCc1ocnc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587091642 GZCPZVFOZFCMQG-UHFFFAOYSA-N 361.226 4.034 0 1 FIAF CCOC(=O)[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587108250 YGZRBSQMXGCWKU-CYBMUJFWSA-N 357.409 4.114 0 1 FIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(F)c4[nH]3)cc2N1 587124157 LWSIBOJDEBRUMV-WKEGUHRASA-N 357.286 4.012 0 1 FIAF Cc1cc(C)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2c1 587145345 WYXNWOHUUZZQEP-CQSZACIVSA-N 362.246 4.324 0 1 FIAF CC[C@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 587154240 AMDZSKCZCCJAGL-INIZCTEOSA-N 362.426 4.026 0 1 FIAF Cc1cc(C)c2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 587196777 BTXKPXMCDFWNFH-OAHLLOKOSA-N 359.470 4.096 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(c2ccccc2)c2ccccc21 587398458 HMDCPNGZLIPMEH-QHCPKHFHSA-N 370.408 4.116 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(OC)c(OC)c1)CC2=O 587478932 LBIJQCRFLNPALQ-JOCHJYFZSA-N 370.445 4.329 0 1 FIAF O=C1C[C@H](c2[nH]c(O)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 587524789 KESQVRHRKZJWGT-GOSISDBHSA-N 360.413 4.368 0 1 FIAF COC(=O)Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533559 XDSVLQAXTSFGLZ-KRWDZBQOSA-N 356.443 4.049 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cn1 587555179 ZFKZYPGMMFEYAM-QFBILLFUSA-N 353.761 4.144 0 1 FIAF Cc1nn(C(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580701 IYCMTQOOLBQKEL-WIYYLYMNSA-N 364.401 4.181 0 1 FIAF O=C(O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccc(F)c1 587622347 LJBPQYVACFVXAP-UHFFFAOYSA-N 374.169 4.311 0 1 FIAF O=C(c1ccccc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658336 LYBHXMAAGZORBB-UHFFFAOYSA-N 362.335 4.030 0 1 FIAF C/C=C(\Br)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587671229 PUIQMPQKBHLFQI-ILSJWFEJSA-N 363.068 4.462 0 1 FIAF Cc1cccnc1C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587767823 BGANPYJEGUWUEE-KPZWWZAWSA-N 363.274 4.284 0 1 FIAF Cc1ccc2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 587775677 TVYDBRJKRNQRNG-ADLMAVQZSA-N 374.257 4.168 0 1 FIAF Brc1ccc(Br)c2[nH]c(CCOCC3CC3)nc12 587784700 UYGATBRULOJHBY-UHFFFAOYSA-N 374.076 4.057 0 1 FIAF CCN(CC)Cc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873775 MCDUAYWSUWSQBG-UHFFFAOYSA-N 365.408 4.325 0 1 FIAF Cc1cccc([C@]2(CCCCC(=O)O)NCCc3cc(C)c(F)cc32)c1 962086010 BUEDZORFVXNGQQ-QFIPXVFZSA-N 355.453 4.477 0 1 FIAF CC[C@]1([C@@H]2CCOC(C)(C)C2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962645565 ZXZWCWFVFJCREZ-JIGPKXGUSA-N 361.526 4.391 0 1 FIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1csc(-c2ccncc2)n1 963114679 WDUUAQMJNLYCGM-VQIMIIECSA-N 351.450 4.454 0 1 FIAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCCCO)c2ccccc12 1772592872 XJEDQGDGQHKXJI-UHFFFAOYSA-N 366.505 4.112 0 1 FIAF CCOc1ccc(-c2cnn(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1 1857654248 DNCGDQHBYPKLDS-UHFFFAOYSA-N 368.433 4.179 0 1 FIAF Cc1cccc(C)c1C(=O)N[C@H](c1ccncc1)C12CCC(CC1)CN2C 1857757566 JKTKESKSMRIFSF-JRSYVHTFSA-N 363.505 4.044 0 1 FIAF Cc1ccc(CN2C[C@H](F)[C@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)cc1 2356302180 NVMQPGHLMRKACL-GHTZIAJQSA-N 367.468 4.227 0 1 FIAF Oc1ccc(-c2cnc3cnc(-c4cccc(-c5cc[nH]n5)c4)cn23)cc1 2382227145 QBIOHDSIPKKRDB-UHFFFAOYSA-N 353.385 4.159 0 1 FIAF COc1ccc(-c2nc(CN(C)[C@H](C)c3ccon3)c(C)o2)c(C)c1C 13593534 WWTBGDHHAMEQDE-CQSZACIVSA-N 355.438 4.456 0 3 FIAF CC(C)Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21 3815553 AQUXBIDNWAFZLO-UHFFFAOYSA-N 363.248 4.004 0 1 FIAF CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ncc21 13490279 SMRVFXWCFCCDDO-UHFFFAOYSA-N 364.493 4.270 0 1 FIAF COc1c(C)c2c(c(C)c1Cl)Oc1c(C=O)c(O)cc(C)c1C(=O)O2 14636965 FZBRFXCENCOJRK-UHFFFAOYSA-N 362.765 4.117 0 1 FIAF biogenic COc1cc([C@@H]2c3cc4c(cc3C[C@H](C)[C@H]2C)OCO4)cc2c1OCO2 14641071 WMPUHRROBOWDAU-XXRNEEKGSA-N 354.402 4.113 0 1 FIAF biogenic CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4C=C(O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26404147 ZFZLLLFBWBJQJN-IBEPOWJWSA-N 370.537 4.386 0 1 FIAF COc1cc(O)cc2c1[C@@H]1Oc3c(ccc4c3C=CC(C)(C)O4)[C@@H]1CO2 38422605 PSJNLMVDUBCKQD-VBKZILBWSA-N 352.386 4.195 0 1 FIAF biogenic Cc1ccc(-n2c(=O)c3ccccc3n3c(-c4ccccc4C)nnc23)cc1 40893714 GMQBELIQBWOHFA-UHFFFAOYSA-N 366.424 4.317 0 1 FIAF N[C@@H]1CCN(Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)C1 45192895 XPDMDGCOZLPEEH-QGZVFWFLSA-N 374.513 4.491 0 1 FIAF COc1cc(O)c2c(=O)c(-c3cc(CC=C(C)C)c(O)cc3O)coc2c1 49019857 FDGOXOKMOFWQKA-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF biogenic CCOc1ccc(-c2nc(CNCc3cccc(OC)c3OC)co2)cc1 72101148 PGNLOLLZTLZOAR-UHFFFAOYSA-N 368.433 4.047 0 1 FIAF CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-c4cn[nH]c4)ccc3n2)cc1 95920972 XBKNNPZVSZKDRB-UHFFFAOYSA-N 359.433 4.274 0 1 FIAF in-vitro CC(=O)c1ccc(-c2ccc(C[C@@]3(C)SC(=O)[C@@H](C)C3=O)cc2)s1 169720259 XEQHWSXEFMCDDT-JEOXALJRSA-N 358.484 4.398 0 1 FIAF Cc1ncc([C@@H](CNC(=O)c2c(Cl)cccc2Cl)CC2CC2)cn1 207685028 WYMCMIODUHKIJX-CYBMUJFWSA-N 364.276 4.406 0 1 FIAF Brc1cnc2[nH]c(-c3cc(-c4ccccc4)ccn3)nc2c1 299837898 PNNQCUOJZOFFIJ-UHFFFAOYSA-N 351.207 4.449 0 1 FIAF O=C1c2ccccc2-c2cc(-c3cccc(CO)c3)nc3ccc(O)c1c23 586991901 QVNFHFLOROIGMJ-UHFFFAOYSA-N 353.377 4.311 0 1 FIAF COc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1C 587024005 YVKUGSNOBCZBIY-UHFFFAOYSA-N 360.439 4.350 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccnc2[nH]1)c1cccc(Cl)c1 587071382 LVFFIKPXEGYAKT-HNNXBMFYSA-N 372.856 4.420 0 1 FIAF C[C@@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172669 JTNSKLTUXSCIKI-KRWDZBQOSA-N 364.298 4.349 0 1 FIAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(CCO)ccc3[nH]2)cc1 587244104 LDWMFDDIEJKEND-UHFFFAOYSA-N 357.413 4.017 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)c1cc(Cl)cc(Cl)c1)O2 587378192 MWDAADRCGYTCJT-SFHVURJKSA-N 364.228 4.491 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)cc(OC)cc1Cl)CC2=O 587460582 NNPMRJWGTSGTLF-QGZVFWFLSA-N 362.809 4.419 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(OC)c1O)CC2=O 587461625 LGQYMLUIUATGDG-MRXNPFEDSA-N 362.809 4.419 0 1 FIAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1C 587511871 SYWPWCQKPGTXSG-QFIPXVFZSA-N 351.446 4.345 0 1 FIAF CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(C)ccc21 587518441 IJSHOTVEQDLVGT-QHCPKHFHSA-N 361.441 4.101 0 1 FIAF Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587614198 RQMGTMMOCYSJQA-QFBILLFUSA-N 353.399 4.034 0 1 FIAF CS[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587615189 WVZHLMNBNKTROJ-UWVAXJGDSA-N 356.443 4.398 0 1 FIAF O=C(O)c1cc(Cl)c(-n2ncc3ccc(Cl)cc3c2=O)c(Cl)c1 587651337 QVQMRFWIZSQTSS-UHFFFAOYSA-N 369.591 4.044 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c[nH]nc23)N1 587789290 AVVKTEXTPWWGRT-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncccc3[nH]2)N1 587801738 HXOBAHGMSGSOFX-HUTHGQBESA-N 360.230 4.088 0 1 FIAF COc1ccc(C[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587805072 DBESAZXOEOCTSJ-MEDUHNTESA-N 364.258 4.415 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccco2)N1 587828430 NIXCTFCGEQRVPE-BMLIUANNSA-N 366.230 4.204 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)COC3)N1 587834204 JXDOUAZCJMGPDJ-MLCYQJTMSA-N 362.242 4.242 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1[nH]c3nccc-3cc1Cl)N(C)[C@H](C)C2 962567770 JXDHJAIXSIDDSK-NSPYISDASA-N 371.868 4.151 0 1 FIAF COc1cc2c(cc1OC)[C@@](c1ccc(N)cc1)(C1CCC1)N(C)[C@H](C)C2 962621211 IQGHZONSNRHZDS-CMJOXMDJSA-N 366.505 4.206 0 1 FIAF Cc1ccc(C(=O)C[C@]2(C(C)(C)C)NCCc3nc4ccccn4c32)cc1 962984668 FOHUILZNZYBKKV-QHCPKHFHSA-N 361.489 4.303 0 1 FIAF Clc1cc(Cl)c2c(c1)[C@H](c1cnc(N3CCCCC3)nc1)NCC2 963125273 TXSOWBVEUCMNMO-KRWDZBQOSA-N 363.292 4.009 0 1 FIAF CC[C@H](C)NC(=O)c1sc2nc(C)nc(N3CCC(C)CC3)c2c1C 753908 KKBRCESTACOOAN-LBPRGKRZSA-N 360.527 4.073 0 1 FIAF CCN1C=Cc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 6385002 JEYYFFRPPHCDBW-GOSISDBHSA-N 369.461 4.311 0 1 FIAF biogenic COc1ccc([C@@H]2CC(=O)c3c(O)cc4c(c3O2)C=CC(C)(C)O4)cc1 13397617 DYYGGFDQLZIZEE-KRWDZBQOSA-N 352.386 4.292 0 1 FIAF biogenic,in-vitro O=C(Cc1cn(-c2ccc(F)cc2)c2ccc(F)cc12)Nc1ccncc1 13556611 OZMLYFPTENQRQV-UHFFFAOYSA-N 363.367 4.485 0 1 FIAF CSc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F 26500411 SKUXVHWONOFQGS-UHFFFAOYSA-N 373.421 4.272 0 1 FIAF OC[C@@H](O)COc1ccc([C@@H]2Oc3ccccc3C=C2c2ccccc2)cc1 26947948 MONAQZFBYNPVGC-YKSBVNFPSA-N 374.436 4.093 0 1 FIAF Cc1ccc([C@@]2(Cn3ccnc3)OC[C@H](c3ccccc3Cl)O2)cc1 28768393 NRXCPFBHZMFIAH-UXHICEINSA-N 354.837 4.486 0 1 FIAF CC(C)CCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 68572312 RRYWRTAPRPBAAB-VFUGHAIPSA-N 364.441 4.184 0 1 FIAF biogenic O=C(C[C@H]1C(=O)N(c2ccccc2)C[C@H]1c1ccccc1)Nc1ccccc1 72141730 UQFPHFQMGDRYTH-YADHBBJMSA-N 370.452 4.462 0 1 FIAF O=C(O)c1ccc(OCCCCCCCOc2ccc(C(=O)O)cc2)cc1 78499314 KYUMFUHAEPSERT-UHFFFAOYSA-N 372.417 4.491 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2)n1 82214742 WJXSAFFIVWNPCE-INIZCTEOSA-N 352.482 4.226 0 1 FIAF CC(C)COc1cccc2occ(/C=C/[C@H](O)c3ccc(O)cc3)c(=O)c12 95598026 MKXQGQSODXUMAB-MZEUMTGBSA-N 366.413 4.280 0 1 FIAF O=C(/C=C/n1cnc(-c2cccc(Cl)c2)n1)Nc1cccc(Cl)c1 115892253 RDOUAVHSGMOJNR-BQYQJAHWSA-N 359.216 4.361 0 1 FIAF COc1cc(O)c(-c2coc3cc(O)ccc3c2=O)cc1CC=C(C)C 138190734 WDUKPMSWWVPFRK-UHFFFAOYSA-N 352.386 4.389 0 1 FIAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3nonc3c2)n1 141966130 VENJSALARSNZSU-QGZVFWFLSA-N 357.417 4.478 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(CCCCc3cccc(O)c3)nc2c1 586895972 FQDYGVUIVSAAAD-UHFFFAOYSA-N 358.825 4.274 0 1 FIAF CC(=O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587006623 KCDUTNHGSKVVKL-UHFFFAOYSA-N 355.195 4.071 0 1 FIAF Fc1cc(Br)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587016837 ONWZXXVTJOBOEO-NSHDSACASA-N 368.231 4.440 0 1 FIAF COc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1F 587029329 OJTAMNPAOLYDPK-UHFFFAOYSA-N 355.394 4.413 0 1 FIAF Cc1ccc2c3c(cc(/C=C/N4CCOCC4)nc13)-c1ccccc1C2=O 587098995 XVWUFHHZLSZSGO-CMDGGOBGSA-N 356.425 4.058 0 1 FIAF O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1cccc(Br)c1 587207090 BBRNFSBMRVEASW-UHFFFAOYSA-N 367.246 4.277 0 1 FIAF Nc1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1C(=O)O 587249754 IVGPYLCERBBIDM-UHFFFAOYSA-N 359.385 4.089 0 1 FIAF CCCCCC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400494 QCFWQDIECPWPQU-HRAATJIYSA-N 361.482 4.451 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccco1)([C@@H](O)c1ccco1)CC2=O 587476584 CWHGPNOCEBRXLF-LEWJYISDSA-N 368.385 4.125 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3oc(CO)cc3c1)CC2=O 587479523 IKERDGQRENXRRH-HXUWFJFHSA-N 352.386 4.290 0 1 FIAF Cc1ccc(Cl)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587498541 IXRDIHQIIDCQQE-OAQYLSRUSA-N 367.832 4.340 0 1 FIAF CCOC(=O)C[C@]1(CC2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527834 YZQBVVJXEMIDII-QFIPXVFZSA-N 356.462 4.413 0 1 FIAF CC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606297 DKQWPDWTARHHMH-SIKLNZKXSA-N 362.381 4.365 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2N)N1 587734729 VHWUZZMKHOOAEC-VVVCHXIZSA-N 367.237 4.107 0 1 FIAF Cc1cccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n[nH]c12 587792271 HQEVFVHCHWSBHT-QGHHPUGFSA-N 374.257 4.397 0 1 FIAF CC[C@H](CCC(=O)OC)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587807181 LJXUSMJYJWFTCQ-CZIZLABSSA-N 372.278 4.143 0 1 FIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O 587824348 ZVLVYJKUTMMRMI-BBATYDOGSA-N 364.258 4.400 0 1 FIAF CC[C@@H]1C[C@H]([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCO1 587835676 XLLRCNXQQZZGJE-VDXNLZSASA-N 356.279 4.369 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 587928625 AGERQZGOWXSBTI-OPAMFIHVSA-N 364.445 4.122 0 1 FIAF C[C@H](Oc1ccc2ccccc2c1)c1nc2c(S)nc(S)nc2[nH]1 587953320 KBWLVDHTTHXCBO-VIFPVBQESA-N 354.460 4.224 0 1 FIAF CC[C@@]1(Cc2nc3ccc(C(=O)OC)cc3[nH]2)CC(=O)c2ccccc2C1 587959508 FUQBGROFOMVULV-QFIPXVFZSA-N 362.429 4.118 0 1 FIAF CSc1nn2cc(-c3nc4c(OCC5CC5)cccc4o3)nc2s1 653670141 IPFORCNFBWYMJR-UHFFFAOYSA-N 358.448 4.110 0 1 FIAF COc1cc2c(cc1OC)C(=O)[C@H](C[C@@H]1CCCN1Cc1ccccc1)C2 1772602232 QFOQWGITGJMMIG-OALUTQOASA-N 365.473 4.114 0 1 FIAF COc1ccc(-c2c(C)cccc2NCCCn2ccnc2)cc1OC 1772643163 DQCWNKZRDMROMY-UHFFFAOYSA-N 351.450 4.378 0 1 FIAF O=C(CN1[CH]C=Cc2ccccc21)c1ccc(I)cc1 2356868008 KXFLIVYFIQSNSP-UHFFFAOYSA-N 374.201 4.169 0 1 FIAF Cc1cc(-c2cc(C(=O)Nc3ccccc3)on2)nc(NC2CCCC2)n1 12727056 RFTBQLOWRCMLAP-UHFFFAOYSA-N 363.421 4.047 0 3 FIAF O=C(NCc1ccc(Cc2c[nH]cn2)cc1)Nc1cccc(C(F)(F)F)c1 13439939 PEAVWFVWMZUDSB-UHFFFAOYSA-N 374.366 4.341 0 1 FIAF Cc1cccc(C)c1COc1cc(-n2ccccc2=O)cn2c(C)c(C)nc12 40424704 DJKTUOFJPXSXPC-UHFFFAOYSA-N 373.456 4.298 0 1 FIAF CCCCC[C@@H]1C[C@@H](CCc2ccc(O)c(OC)c2)O[C@@](C)(OC)O1 59587419 GRAMTNLTPRHKHT-HLIPFELVSA-N 352.471 4.408 0 1 FIAF biogenic,in-vitro COc1ccc(CCNc2cc(-c3cc(F)ccc3F)ncn2)cc1OC 82161196 LVQKUMCYSCAONG-UHFFFAOYSA-N 371.387 4.094 0 1 FIAF CC[C@@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 101811998 BQLQSIRUAFRJJC-BMZZKGLRSA-N 367.533 4.369 0 1 FIAF O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 169330938 LHZGTDYRIFFIRQ-BJKOFHAPSA-N 364.533 4.412 0 1 FIAF CC(=O)OCCC/C=C(\c1cccnc1)c1c(C)c(O)c(C)c(C)c1O 169712478 YTEWOXUCMXKFPR-GIJQJNRQSA-N 355.434 4.193 0 1 FIAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccccn3)cc2n1 221613171 UEUKQZXLBISYPI-UHFFFAOYSA-N 371.415 4.320 0 1 FIAF COc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1OC 586979160 IJHCEJLCBMFJEL-UHFFFAOYSA-N 362.227 4.021 0 1 FIAF COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1N 586987711 RDKXMUGZYLHEKH-UHFFFAOYSA-N 368.392 4.410 0 1 FIAF FC(F)(F)OCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587125785 UVCCDXCUVSAYHY-UHFFFAOYSA-N 363.055 4.381 0 1 FIAF CCOc1cc(/C=C\c2nc3ccc(CO)cc3[nH]2)ccc1OC(F)F 587131029 TXJZQMLPUARWIS-YVMONPNESA-N 360.360 4.226 0 1 FIAF N[C@@H](N=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242131 HNFAGFPGNIJHGE-IBGZPJMESA-N 359.389 4.403 0 1 FIAF CC[C@@]1(C2=NCCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374717 PRJMIRMCZBCPBE-YLJYHZDGSA-N 371.433 4.184 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CN3CCCCC3)s1)O2 587411811 WENCRRIRIHYTPF-GOSISDBHSA-N 356.491 4.331 0 1 FIAF CC[C@]1(CNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587510087 FFZBHHOGWYCQBN-OAQYLSRUSA-N 359.466 4.204 0 1 FIAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1-n1cncn1 587517852 WGUIAQVEVPGZIT-OAQYLSRUSA-N 359.429 4.161 0 1 FIAF CC(C)(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]n1 587593919 JLCTXWIGBFDNOH-FXAWDEMLSA-N 364.401 4.116 0 1 FIAF C[C@@]1(c2cccc3c[nH]nc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594054 KCARWGOQTQQFOV-AVRDEDQJSA-N 372.380 4.146 0 1 FIAF CCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587616189 JBSYIZKNIDSZIF-WIYYLYMNSA-N 350.370 4.425 0 1 FIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc(Br)cc1 587637967 HODVTGRYAHOSPZ-UHFFFAOYSA-N 373.206 4.189 0 1 FIAF O=C(c1ccsc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657196 PVHFLYUMXQGZOW-UHFFFAOYSA-N 368.364 4.092 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(O)c2F)N1 587713470 CRQKJGZKDIQUNB-HYORBCNSSA-N 372.184 4.196 0 1 FIAF COc1ccc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587721919 WQTFVMFFBQPYCY-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2F)N1 587724154 DZJKBWBDWWMTPT-VPTHRUTESA-N 354.194 4.057 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3ncccc23)N1 587792440 HPHNXEXCVGSIFG-DYZYQPBXSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](C3CC3)C2)N1 587819684 WMYZFFNNEVBXKA-SBOFIZKASA-N 366.274 4.097 0 1 FIAF C[C@]1(c2cn(Cc3ccccc3)nn2)NCCc2c(Cl)cc(Cl)cc21 963106066 JMRGLHQBTJRKLJ-IBGZPJMESA-N 373.287 4.042 0 1 FIAF CCCOc1ccc2c(c1)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772570049 IWCOSMSNEOYGHC-KRWDZBQOSA-N 366.505 4.231 0 1 FIAF Clc1cc(Cl)cc(CNCCNc2nc3ccc(Cl)nc3[nH]2)c1 1772577594 MIYXAQMTJOFMTG-UHFFFAOYSA-N 370.671 4.120 0 1 FIAF CC1(C)C(=O)N(C(C)(C)c2ccccc2)c2nc(Nc3cccnc3)ncc21 1772638814 PIOSKPWAMVZLEX-UHFFFAOYSA-N 373.460 4.175 0 1 FIAF CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@@H]2CC[C@@H]34)C1 2356412731 YSQXNYTXRLVCMC-ZENANQPBSA-N 372.597 4.464 0 1 FIAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)[C@H](O)CC(=O)CCC=C2 2356586516 CNAMIVOGPWSYFZ-QGZVFWFLSA-N 370.401 4.001 0 1 FIAF Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCC1CCCCC1 2382237431 KOUGNLUUPLSUAG-UHFFFAOYSA-N 372.538 4.213 0 1 FIAF CCCNC(=O)[C@]1(C)CCCN(Cc2ccc(-c3ccccc3)cc2)C1 61907728 DVYGGEJYRWKRAJ-HSZRJFAPSA-N 350.506 4.482 0 3 FIAF Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cn1 3814671 MKFHCOCWLKUAMC-UHFFFAOYSA-N 359.397 4.406 0 1 FIAF O=C(O)C1(c2ccc3c(c2)OC[C@H](CCc2ccccc2)[C@H]3O)CCCC1 26386456 FWTGCMMHRXZYQH-LAUBAEHRSA-N 366.457 4.258 0 1 FIAF C[C@@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36153213 GQECVTUOELTXTC-OYEHZIRUSA-N 359.510 4.312 0 1 FIAF COc1cccc(-n2nc(CN(C)C)nc2-c2ccc(C(C)(C)C)cc2)c1 45350096 UKDIWNQPBFBSOR-UHFFFAOYSA-N 364.493 4.302 0 1 FIAF COC(=O)[C@@H]1C[C@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 85956524 USASLHCCADYMNF-YDLRKFKESA-N 362.510 4.362 0 1 FIAF in-man Cc1ccc(-c2ccc(C(=O)O)c(NS(=O)(=O)c3ccccc3)c2)cc1 103239716 FXCWCBFISGEJMK-UHFFFAOYSA-N 367.426 4.161 0 1 FIAF COc1ccc([C@H]2CC(c3cc4ccccc4nc3C)=NN2C(C)=O)cc1 103273620 XITKZOSBDIQTQI-JOCHJYFZSA-N 359.429 4.249 0 1 FIAF Nc1nc(NC(=O)c2ccc3ccccc3c2)nc2ccc3[nH]ccc3c12 103297904 VRVKVEMREBTSJC-UHFFFAOYSA-N 353.385 4.099 0 1 FIAF Fc1ccc2c(c1)C[C@@H](CCN1CCN(c3ccc(Cl)cc3)CC1)C2 169350274 XASUAOWUPBWGMW-INIZCTEOSA-N 358.888 4.406 0 1 FIAF CS(=O)(=O)c1cccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 586925488 FYZIZYVKSAZADZ-UHFFFAOYSA-N 364.426 4.426 0 1 FIAF O=C(O)c1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1F 587033109 SWTPMOAFBFQTIZ-UHFFFAOYSA-N 367.405 4.408 0 1 FIAF CC(=O)c1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 587073384 HJMGDMRLVYBOHD-UHFFFAOYSA-N 365.824 4.034 0 1 FIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(C(=O)O)cc2[nH]1 587076281 UIVZUECALYFAIH-UHFFFAOYSA-N 352.781 4.076 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085405 QUDOJSCYCYYGPJ-UHFFFAOYSA-N 350.809 4.133 0 1 FIAF Cc1c(F)ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 587143161 YRKCIPIXWIUPSA-CYBMUJFWSA-N 366.209 4.155 0 1 FIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587149083 GIQIAIONICNFKA-JTQLQIEISA-N 358.323 4.306 0 1 FIAF COc1ccc(C)cc1NCCCc1nc2cc(C(F)(F)F)ncc2[nH]1 587229228 SKVYODLACURDBH-UHFFFAOYSA-N 364.371 4.338 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc(F)cc1)CC2=O 587466337 KHEQUKONXVDFLK-OTDUKCBNSA-N 369.436 4.420 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)cc(O)n3C)CC2=O 587474783 IHASUIIEFRMTBT-JOCHJYFZSA-N 365.429 4.423 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CCC(=O)O)cc1)CC2=O 587487693 HMWFWACXHNVEMF-LJQANCHMSA-N 354.402 4.068 0 1 FIAF Cc1ccc(Cl)c2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587499044 KTCANKVKSUFVST-NRFANRHFSA-N 367.832 4.340 0 1 FIAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12 587585112 BCEPLRHASGPFFC-PGRDOPGGSA-N 372.380 4.051 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCc2ccccc21 587604141 ROPCQEUWSLYIGP-NIJIEXERSA-N 358.393 4.452 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCCO2 587611473 ROIKYHIHGFZDRI-REWPJTCUSA-N 374.392 4.420 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cnccc3[nH]2)N1 587808324 YICQHVVPTSZACY-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CC(C)(C)C2)N1 587823408 PUBTYOGCPNALJY-BMLIUANNSA-N 354.263 4.097 0 1 FIAF Cc1cc(O)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587833420 NJBZJLUTEAZDPW-BMLIUANNSA-N 350.231 4.226 0 1 FIAF C[C@@H]1CC=CC[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 587966279 CEUYIIVVBOXEIO-HTQZYQBOSA-N 373.625 4.286 0 1 FIAF CC[C@@H](C)C(=O)c1c(O)cc(O)cc1OCC=C(C)CC=CC(C)(C)O 2356398390 YQCPAHSZPXSDHS-OAHLLOKOSA-N 362.466 4.369 0 1 FIAF CC(=CCCC1=C[C@H](O)OC1=O)CCC=C(C)CCC[C@H](C)C(=O)O 2356788870 CPMWPGTWVFIEII-FUHWJXTLSA-N 350.455 4.132 0 1 FIAF Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1-c1c[nH]c(=N)[nH]1 2382243209 BPHHHLINQXMRIX-UHFFFAOYSA-N 361.232 4.357 0 1 FIAF COc1ccc(-n2c(=S)sc3c(Cl)nc(C)nc32)c(OC)c1 2382260574 NNKYAHQQRCIKAG-UHFFFAOYSA-N 353.856 4.191 0 1 FIAF CN(C)CCc1c[nH]c2ccc(CCc3nc(Cc4ccccc4)no3)cc12 599299 KYUWHJMADOFUBT-UHFFFAOYSA-N 374.488 4.031 0 1 FIAF CC(C)(C)C(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 608036 FTJLKTBLZOULCL-SFHVURJKSA-N 370.836 4.045 0 1 FIAF in-man O=C1c2ccccc2C(Br)(Br)c2ccccc21 1618277 LVGLBCQZYRCDFB-UHFFFAOYSA-N 352.025 4.222 0 1 FIAF CC1(C)C[C@H]2C[C@](C)(CN2C(=S)NC(=O)c2ccccc2Cl)C1 3259530 IDBVHKHAPKHXJD-SGTLLEGYSA-N 350.915 4.255 0 1 FIAF Cc1coc2c(OCCCN(C)C)c3oc(=O)c4c(c3cc12)CCCC4 3817193 YJVRNKRMLZRJJA-UHFFFAOYSA-N 355.434 4.057 0 1 FIAF Cc1oc(-c2ccccc2Cl)nc1CN(Cc1cnn(C)c1)C(C)C 12003099 XFBWUQYISYGFOA-UHFFFAOYSA-N 358.873 4.448 0 1 FIAF COc1ccc2c(c1)[C@H](CCNC(=O)C(F)(F)F)[C@H](c1ccccc1)C2 13491243 LBYVRCORGULJGD-SJORKVTESA-N 363.379 4.187 0 1 FIAF CCOc1ccccc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579611 AXFYZIQGQSZFPB-GOSISDBHSA-N 361.869 4.019 0 1 FIAF CC(=O)O[C@H]1CC=C(C)[C@H](COc2ccc3ccc(=O)oc3c2)C1(C)C 14447327 NIQOIGOWPAPYKM-HKUYNNGSSA-N 356.418 4.096 0 1 FIAF biogenic COc1cc(O)ccc1[C@H]1COc2cc(O)c(CC=C(C)C)c(OC)c2C1 14762840 RMSGVYITYQNZQO-CQSZACIVSA-N 370.445 4.342 0 1 FIAF biogenic CCOC(=O)/C=C1\CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 45298857 SLLCGKGKUIUVBU-HJUSFWBESA-N 371.521 4.465 0 1 FIAF C/C=C(/C)C(=O)OC/C=C/c1cc(OC)c(OC(=O)/C(C)=C\C)c(OC)c1 49054346 DDRSRJPRVMERSF-XFQHEFLPSA-N 374.433 4.098 0 1 FIAF C[C@@H]1CCC[C@@H]1NC(=O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95598017 QNEFGNKZMJLFIA-DOMZBBRYSA-N 361.873 4.002 0 1 FIAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(C)c1)c1ccccc1 103214116 ZDQFOLOMCNOFFW-GOSISDBHSA-N 364.334 4.102 0 1 FIAF CCCCOc1ncc(Br)cc1C(=O)NC1CCCCCC1 103266713 ZYUDBNLXUGFGEJ-UHFFFAOYSA-N 369.303 4.476 0 1 FIAF C[C@@H]1CCCN1C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144701813 DSMJXXGULMFKQB-BLVKFPJESA-N 361.363 4.090 0 1 FIAF CC(C)(C)NC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169358860 ZOIUUCNFVDJSJK-SFTVZBSLSA-N 374.569 4.039 0 1 FIAF COc1ccc(CNc2c(-c3ccccc3O)nc3ccc(F)cn23)cc1 219244716 QBNMSKFVSPKNSV-UHFFFAOYSA-N 363.392 4.467 0 1 FIAF COc1ccc(CN[C@H]2CCCn3nc(COc4ccccc4)cc32)cc1 299840478 XHMRZQHOLDKOFK-NRFANRHFSA-N 363.461 4.095 0 1 FIAF Cc1cnc(Cl)c2[nH]c(CCNc3ccc(Br)cc3)nc12 586996560 VWFAUMADIWCNTQ-UHFFFAOYSA-N 365.662 4.337 0 1 FIAF Clc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cn1 587018120 VYILLJOAZDMCGD-UHFFFAOYSA-N 354.822 4.337 0 1 FIAF Cc1cc(Br)cc2nc([C@H](O)c3ccccc3Cl)[nH]c12 587059259 MXDZKDBPBPSATN-CQSZACIVSA-N 351.631 4.369 0 1 FIAF CSc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587117411 GOSVENQPOGUFDZ-UHFFFAOYSA-N 352.385 4.426 0 1 FIAF COc1c(F)ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1N 587135361 XURDOQOYKFELPJ-UHFFFAOYSA-N 370.609 4.376 0 1 FIAF N[C@H](Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Br)cc1F 587142566 FKOKDXLZHYBDSL-GFCCVEGCSA-N 368.637 4.360 0 1 FIAF COc1cccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587221645 GRPXMTOYPJMXLI-IBGZPJMESA-N 357.413 4.091 0 1 FIAF O=C(CC1CCCCC1)c1c(CO)oc2cc(Br)cnc12 587274462 WFNNIVSQRYJJDU-UHFFFAOYSA-N 352.228 4.236 0 1 FIAF CC[C@]1([C@@H](C)CN(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337382 OCFHENLSDVJGKM-UPNLOYSTSA-N 371.452 4.237 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC=C(NNc3ccc(F)cc3)C1)O2 587386360 XONRMAWOKRHGSL-OAQYLSRUSA-N 367.424 4.105 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(C(=O)O)c1)O2 587406448 HPGRXKPBZKAILR-QHCPKHFHSA-N 373.408 4.184 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C(C)=O)(c1ccc(Cl)cc1)CC2=O 587458618 BARZRIXZRXVCAU-FQEVSTJZSA-N 358.821 4.448 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3=O)cc1)CC2=O 587473903 CUEHKXGTBMFYJU-FQEVSTJZSA-N 365.429 4.178 0 1 FIAF O=C1C[C@](Cc2ccccn2)(c2cccnc2)Oc2c1ccc1c2CCCC1 587516399 WTHMYPDJRPORTA-XMMPIXPASA-N 370.452 4.459 0 1 FIAF C[C@@]1(COc2cccc(C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587525981 XCHRPXUZLWHAJV-QFIPXVFZSA-N 350.414 4.181 0 1 FIAF Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587547444 SRAZVPXIPRKVLH-PXNSSMCTSA-N 367.788 4.331 0 1 FIAF CC(C)(C)c1cc(-c2ccc3c(O)nc(O)nc3n2)cc(C(C)(C)C)c1O 587561053 MQDXQGSVXQARJX-UHFFFAOYSA-N 367.449 4.404 0 1 FIAF CC(C)[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587803 PXDXHIWKZIKYBR-SIKLNZKXSA-N 361.397 4.300 0 1 FIAF CCOC(=O)Cc1[nH]c2cccc(F)c2c1NC(=O)OCc1ccccc1 587635440 LOAYGPUVFNTYFA-UHFFFAOYSA-N 370.380 4.161 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)nc2)N1 587706961 TXKWNINLFUOXLI-AYVTZFPOSA-N 355.638 4.260 0 1 FIAF CC/C(C)=C(\N)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587749186 NHXOLSQXJAAZDY-JVJYRDAHSA-N 355.295 4.370 0 1 FIAF CCCn1nc(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587761380 AYWLNYPLMIOAKL-BTDLBPIBSA-N 366.278 4.127 0 1 FIAF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C(C)C 587763084 HWBDYWGNFGATHP-BMLIUANNSA-N 366.278 4.298 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)N1 587827631 LICAKENWRCLZKK-ILYJWSPFSA-N 350.275 4.384 0 1 FIAF O=C([C@@H]1Cc2ccccc2[C@@H](c2cc(-c3ccccc3)no2)N1)C(F)(F)F 962761959 ILHZCFNNHQUBID-WMZOPIPTSA-N 372.346 4.077 0 1 FIAF CC(C)(C)OC(=O)N1CCCCC[C@H]1C[C@]1(C)NCCc2ccc(O)cc21 963343785 WQBABXWWFZBDKV-JTSKRJEESA-N 374.525 4.323 0 1 FIAF Cc1cccc(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)cc2)c1 963556212 VXKZMKLSLMDBKD-NZQKXSOJSA-N 373.452 4.364 0 1 FIAF COc1cc([C@@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)ccc1OC(C)=O 2356425597 OZGAPJXJJASVMN-GPAUDHNESA-N 368.429 4.309 0 1 FIAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@H]1OC(C)=O 2356480793 QGJOZBRXAVBQQO-IKAPNZOLSA-N 374.477 4.159 0 1 FIAF CC[C@@H](C)NC(=O)c1sc2ncnc(N(C)c3ccccc3)c2c1C 2926849 ISDXXHBJVQQECM-GFCCVEGCSA-N 354.479 4.296 0 1 FIAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4207463 CEILEWKBAJAXQO-RDJZCZTQSA-N 362.882 4.410 0 1 FIAF COc1cccc(-c2cncnc2NCCc2c[nH]c3ccc(OC)cc23)c1 4267141 OJTKHPQNRLMVLS-UHFFFAOYSA-N 374.444 4.297 0 1 FIAF CCCCC[C@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 13740712 HTJZHVCGODLWLI-LUQKVYGDSA-N 365.521 4.123 0 1 FIAF CCCC[C@@H](COCCc1ccc(Cl)cc1Cl)N1CCOCC1 28653717 AOSBUACCONEWMA-KRWDZBQOSA-N 360.325 4.444 0 1 FIAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccccc1 35190698 BJFXSHTXZJRXBS-UHFFFAOYSA-N 353.853 4.462 0 1 FIAF OC1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 40429930 LEBXHMQTGORPIS-QIDMFYOTSA-N 350.437 4.322 0 1 FIAF O=C(O)c1ccc2c(c1)[C@@H]1CCN[C@@H](Cc3cccc4ccccc34)[C@H]1N2 40461360 FPRFIUYLFZQUHW-NYVOZVTQSA-N 358.441 4.020 0 1 FIAF COc1ccc(-c2nc3c(NCc4ccccc4)nccc3[nH]2)c(OC)c1 45168230 IYCDVEDBYILOCB-UHFFFAOYSA-N 360.417 4.254 0 1 FIAF Cc1ccc(C)c(C(=O)C[C@H](C(=O)Nc2ccccc2)N2CCCCC2)c1 45355129 NAWUHQDFWMTDKF-OAQYLSRUSA-N 364.489 4.369 0 1 FIAF CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@@H]3CC[C@H]2O3)c1 64527107 XBODVQKZKVSVAE-VSZNYVQBSA-N 373.493 4.098 0 1 FIAF O=C1CCc2cc([C@H](c3ccncc3)c3ccc(F)cc3)cc3c2N1CC3 95596944 LWKVNAFICMOXCO-QFIPXVFZSA-N 358.416 4.236 0 1 FIAF CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 101638164 CSORRUCUIASAPJ-UHGJSFDGSA-N 370.537 4.086 0 1 FIAF C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1C(=O)NCc1ccccc1 143473509 PULWYSDHOXHDQV-JTSKRJEESA-N 370.452 4.261 0 1 FIAF O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@H]2CCCNC2)cc1Cl 149952365 VPCILIVSNHJPLB-LBPRGKRZSA-N 365.264 4.499 0 1 FIAF C1=C[C@@H]2[C@@H](c3ccnc(Nc4ccccc4)n3)C(c3ccccc3)=NN2C=C1 169720377 LBVCYKSFXVQSBC-NHCUHLMSSA-N 365.440 4.476 0 1 FIAF COC(=O)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2n1 587016429 VVKAWLCBNPZFNG-UHFFFAOYSA-N 370.821 4.188 0 1 FIAF Cc1ccnc2[nH]c(-c3sc4cc(Br)ccc4c3N)nc12 587031368 NGCIKJDTLOBVMM-UHFFFAOYSA-N 359.252 4.493 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3OC)nc2c1 587066196 IOKZKJMFIHEHNL-UHFFFAOYSA-N 351.189 4.332 0 1 FIAF COc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Cl 587071259 YMEDFYUZDUGJER-LLVKDONJSA-N 350.249 4.163 0 1 FIAF Fc1ccc(-c2ccccc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1F 587145133 IRRSSYPJNRVJNQ-UHFFFAOYSA-N 374.354 4.151 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC1CC1 587399794 MKFSIWSZHYIRJW-IBGZPJMESA-N 353.418 4.081 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1ccc(F)cc41)[C@@H](C2)C3=O 587429019 SGWNFFMKVKCFQM-AOMKIAJQSA-N 363.388 4.295 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4C)c1C)[C@@H](C2)C3=O 587433390 XBESCSDTQAYKFF-SBUREZEXSA-N 374.440 4.295 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3nc(C)no3)c1)CC2=O 587488185 ZSXOPPUPGBVBGM-LJQANCHMSA-N 364.401 4.410 0 1 FIAF CCOC(=O)C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526349 SPNCWSSQPQJWDY-HSZRJFAPSA-N 364.441 4.379 0 1 FIAF CC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587614333 RWHQIPLQSXOQCV-YLJYHZDGSA-N 366.394 4.359 0 1 FIAF COC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc(F)ccc12 587632071 DGYINJDZMGUBRO-UHFFFAOYSA-N 362.198 4.452 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(N)cccc2F)N1 587722941 UQJAOVNFXXAGGC-VVVCHXIZSA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(C)c3ccccc23)N1 587762479 FJIKUQAOBNPNFO-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3n2)N1 587793139 JXAORPXMSNWKFD-QGHHPUGFSA-N 372.241 4.155 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc[nH]c3n2)N1 587802961 ORYBFJUWSFSCEY-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF CCOCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587826896 GNVPKIKEMHMCNX-QGHHPUGFSA-N 368.246 4.341 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(C2CC2)s1 587865209 ZEWVYEXHUTZWEV-UHFFFAOYSA-N 366.368 4.296 0 1 FIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587952449 QWFLKZQPHIZXOX-IGCXYCKISA-N 360.454 4.405 0 1 FIAF CC(C)CCOc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962907129 ZTHHTYUHHABNSK-UGKGYDQZSA-N 371.452 4.113 0 1 FIAF Cc1cc(Cl)c([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c(Cl)c1 963026110 NHLWDSGBFXZDLY-WYRIXSBYSA-N 361.272 4.445 0 1 FIAF Cc1[nH]c2c(C)cccc2c1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963238341 YLRVHJWMQSNQLO-SIKLNZKXSA-N 371.440 4.021 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1cc2cc(F)ccc2[nH]1 963612731 TYVXTAGJIADUOH-LAJNKCICSA-N 354.425 4.122 0 1 FIAF CS(=O)(=O)Nc1ccc(-c2cncc(-c3cccc4[nH]ccc34)c2)cc1 1857555875 KKMZWHRTQLNOCF-UHFFFAOYSA-N 363.442 4.268 0 1 FIAF COc1ccc(NC(=O)[C@@H]2CCN(c3ncccc3C)C[C@H]2C)cc1Cl 1857602212 KITLBRBMPPLJCD-GDBMZVCRSA-N 373.884 4.153 0 1 FIAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]2CC[C@@H]2C(=O)OC[C@H]21 2356797995 OSEFILMYXYHCQF-QDJVIIKBSA-N 362.510 4.362 0 1 FIAF C[C@@]1(Oc2ccc(F)cc2)CCN(Cc2ccccc2OC(F)F)C1 61895857 HSWWEJDRBVBSQK-LJQANCHMSA-N 351.368 4.471 0 3 FIAF CS(=O)(=O)c1ccc(-c2nc3sccn3c2-c2ccccc2)cc1 3814816 PBVNPUDMDSWVMI-UHFFFAOYSA-N 354.456 4.133 0 1 FIAF Oc1nc(CCCN2CCC3=C(CCc4ccccc43)C2)nc2ccccc12 13581569 MFXHCVPIWFZEGY-UHFFFAOYSA-N 371.484 4.374 0 1 FIAF Cc1c(S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)oc2ccccc2c1=O 13589025 JTYJGCVQUMTCNM-UHFFFAOYSA-N 370.470 4.373 0 1 FIAF CC(C)[C@]1(C)SC(N[C@@H](C)c2ccccc2Br)=NC1=O 14953769 GOEFWXWBOKLOPU-BONVTDFDSA-N 355.301 4.144 0 1 FIAF Cc1cccc(Sc2c(C(=O)NCCO)[nH]c3ccc(Cl)cc23)c1C 40565585 OHHNDCXJDSXBTC-UHFFFAOYSA-N 374.893 4.311 0 1 FIAF O=C(NC(=O)c1c(F)cccc1F)NC1c2ccccc2-c2ccccc21 43442989 KZLSEPOWGFQHNH-UHFFFAOYSA-N 364.351 4.174 0 1 FIAF COc1cc2ccnc(Cc3ccc(OCCF)c(OC)c3)c2cc1OC 72105067 VIXPZCCXTICVDE-UHFFFAOYSA-N 371.408 4.200 0 1 FIAF COc1cc(OC)cc(-c2nc(C(=O)NCCC3=CCCCC3)cs2)c1 82086257 WRNRLYLOYMBQDZ-UHFFFAOYSA-N 372.490 4.448 0 1 FIAF CCC[C@@]12CCN(C)[C@@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 84690465 WSCLPRQUHNBBNR-IRLDBZIGSA-N 365.477 4.447 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]21C 85993545 COFSRJDBTTZNBZ-BMCMLLRISA-N 364.526 4.015 0 1 FIAF in-man Cc1nc2sc(C(=O)N[C@@H](C)c3cccnc3)c(N)c2c(C)c1Cl 95593357 JFNKBSKDMAVUCH-VIFPVBQESA-N 360.870 4.035 0 1 FIAF Fc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Cl)c2n1 96176122 FWXFLHLNXMUVDC-UHFFFAOYSA-N 353.788 4.196 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1cccc(C(F)(F)F)c1 100025599 BHWXMCQAJGCBHA-NWCRWOLESA-N 369.339 4.127 0 1 FIAF C=C/C(C)=C\C[C@H]1[C@@](C)(O)[C@H](OC(C)=O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]21C 100781060 IEAUFJOLHRNYMW-TUPMLWDISA-N 364.526 4.015 0 1 FIAF endogenous,in-man COc1ccccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185145 JPSSDJSKUUWHMS-CYGODWOOSA-N 362.473 4.191 0 1 FIAF O=C1[C@@H]2[C@H]3S[C@@H](c4c3ccc3ccccc43)[C@H]2C(=O)N1c1ccccc1 105482666 ZFPGOEXUFNQOHD-MUGJNUQGSA-N 357.434 4.488 0 1 FIAF O=C(Sc1ccc(Br)cc1)c1cc2ccccc2oc1=O 169325579 JDFPLBHEZSYSDM-UHFFFAOYSA-N 361.216 4.488 0 1 FIAF CCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C#N)C1 210722015 CKMRDAUODCQJSN-UHFFFAOYSA-N 360.870 4.295 0 1 FIAF Cc1ccnc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1 224760704 HFBXTAJZHHVSII-UHFFFAOYSA-N 373.391 4.423 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@@](C)(O)[C@H](OC(C)=O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 238733212 IEAUFJOLHRNYMW-AINPFQHMSA-N 364.526 4.015 0 1 FIAF CN1C[C@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@H]2CCCC[C@H]21 261133936 LRFSPZSJAZEPES-QHAWAJNXSA-N 357.881 4.425 0 1 FIAF O=C1[C@@H]2CCCC[C@H]2[C@H](O)N1c1cc(OC2CCCC2)c(Cl)cc1F 299846667 WVRMSBDYZOMFDZ-VFVRVIDISA-N 367.848 4.272 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586885541 VXUKTFONUGLFCF-DGIRIXITSA-N 350.235 4.327 0 1 FIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(C)ccc(C)c2[nH]1 586974625 WMPLNSAZCQPQSV-QGZVFWFLSA-N 353.491 4.290 0 1 FIAF Cc1cc(-c2nc3nccc(N)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145014 QHDZTBSFRVHFQW-UHFFFAOYSA-N 362.364 4.020 0 1 FIAF Fc1cccc([C@H]2C[C@@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1F 587149786 BEDKKMBTSAQEDS-SFYZADRCSA-N 368.156 4.409 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(F)c1Br)O2 587383178 YOLSSVQCOYYSLR-KRWDZBQOSA-N 364.214 4.359 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N(C)c1ccccc1)CC2=O 587469336 NLEIHOBSJQGRIB-QFIPXVFZSA-N 367.445 4.122 0 1 FIAF C[C@]1(c2cccc3sc(=N)[nH]c23)CC(=O)c2ccc3c(c2O1)CCCC3 587537284 CJGDMIBGOZFAME-OAQYLSRUSA-N 364.470 4.468 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(F)c(F)c1 587558792 UOJWMTLRGIPKSY-OXQOHEQNSA-N 370.307 4.079 0 1 FIAF Cc1cccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587586883 LAOUOFUKTVSRHR-SIKLNZKXSA-N 361.397 4.059 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604994 WPGNLASQMZAUCA-VQPPSCEASA-N 366.413 4.262 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(C(C)(C)C)N1 587740307 JEQRGHOHAUWWGV-LYYUURRRSA-N 369.322 4.439 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)ncn3C)N1 587755261 HHQWJXRCKXWOEC-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)CC(C)(C)C[C@H]2C 587822687 LYFXRHUQKVUWLC-YRUZYCQGSA-N 368.290 4.343 0 1 FIAF Cc1ncsc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587852994 KBOWTWKILKORLW-GLEZIHRCSA-N 355.276 4.151 0 1 FIAF COc1cccc2c1[C@@]1(CC2)NC2(CC2)Cc2ccc(Br)cc21 961617329 UUVSTTSTLSGIAO-FQEVSTJZSA-N 370.290 4.326 0 1 FIAF COc1cc(C)cc(OC)c1-c1cccc([C@H](CC(=O)O)c2ncco2)c1 1772645380 XKJDZDMBRSOMRJ-INIZCTEOSA-N 367.401 4.274 0 1 FIAF O=C(Cc1ccc(Nc2ncnc3[nH]ccc23)cc1)Nc1cccc(F)c1 2382242404 QNSYNHQTWUISNL-UHFFFAOYSA-N 361.380 4.022 0 1 FIAF CCCCCC(=O)N1CCC[C@H](c2nc(-c3ccc(OC)cc3)no2)C1 4890169 GHXVOJCMKPUIPO-INIZCTEOSA-N 357.454 4.032 0 3 FIAF COc1ccc(CNc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1 1866577 WRDZBENXZQGZBQ-UHFFFAOYSA-N 371.444 4.082 0 1 FIAF C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@@H](N)C[C@@]1(c1cccc(O)c1)C2 13475349 DBPFGWTUHBQYTM-UCIDMZFESA-N 364.533 4.094 0 1 FIAF COc1c2c(c3ccoc3c1OC)O[C@H](c1ccccc1)[C@@H](OC)[C@H]2OC 15045244 CJDWWGLVOLCWPW-MOXGXCLJSA-N 370.401 4.286 0 1 FIAF biogenic CC(=O)OC1=C(c2ccccc2)Sc2ccccc2N2C(=O)CC[C@H]12 28241511 DFNIZSUPEXULRD-MRXNPFEDSA-N 351.427 4.220 0 1 FIAF CN1C(=O)S/C(=C\c2ccc(-c3cc(=O)c4ccccc4o3)cc2)C1=O 34136643 UJLNQQXVWOREJD-ZDLGFXPLSA-N 363.394 4.126 0 1 FIAF COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C 34634855 VCHNOCSZCQRIQZ-UHFFFAOYSA-N 356.813 4.393 0 1 FIAF Cc1ccccc1NC(=O)Nn1c(-c2ccccc2)nc2ccccc2c1=O 45261751 JNLUQJUXDDZYRP-UHFFFAOYSA-N 370.412 4.148 0 1 FIAF O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Nc1cccc(C(F)(F)F)c1 63539932 JISZKDFLHFISOW-UHFFFAOYSA-N 374.322 4.100 0 1 FIAF CCCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccccc1 82132227 XXFMWUCVLSCGED-UHFFFAOYSA-N 364.449 4.187 0 1 FIAF CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 82133389 BULJOBPTLVSSJU-YESZJQIVSA-N 366.509 4.154 0 1 FIAF CC1=Nc2ccccc2CN1C[C@@H](O)c1cc(Br)cs1 84688274 UZIOSLSSSIDBFU-CQSZACIVSA-N 351.269 4.110 0 1 FIAF CC(C)COc1cc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2n1 100643234 SHSIEQXDSQPUEV-HZPDHXFCSA-N 368.477 4.052 0 1 FIAF O=C(/C=C/c1ccc(F)cc1)Oc1cc(CCc2ccccc2)oc(=O)c1 103278642 QCMMBCWEHZFOAT-UKTHLTGXSA-N 364.372 4.183 0 1 FIAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(F)cc1 104056553 TZICZSCNRWLMFX-ZDUSSCGKSA-N 357.410 4.257 0 1 FIAF O=c1oc(-c2ccc3c(c2)OCO3)cc(O)c1SCc1ccccc1 142797564 AUWKJEFRRUACBH-UHFFFAOYSA-N 354.383 4.033 0 1 FIAF CC[C@H](C)CNC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167320068 IVIPQWYWNWMYEY-AWEZNQCLSA-N 369.440 4.149 0 1 FIAF CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C/C[C@@H]21 169290098 ABTCSIQGTDHHEP-PCUSUNEGSA-N 364.526 4.159 0 1 FIAF CCOC(=O)/C=C1/CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 195316766 SLLCGKGKUIUVBU-PUDGDXSPSA-N 371.521 4.465 0 1 FIAF CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 250528139 QPQWEZDEJJESTO-LUYZLQTOSA-N 367.367 4.337 0 1 FIAF COc1cc2c(cc1OC1CCCC1)CN(C(=O)c1ccccc1)CC2 473247464 DFKOUZPGEZPWIR-UHFFFAOYSA-N 351.446 4.215 0 1 FIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc(Br)c2[nH]1 586880800 BYDFGLVYEIRSCR-UHFFFAOYSA-N 371.234 4.254 0 1 FIAF Cc1cc(Br)c2[nH]c([C@@H](O)c3ccccc3Cl)nc2c1 587060025 YOLFWQTWGSDMQR-AWEZNQCLSA-N 351.631 4.369 0 1 FIAF N=c1[nH]cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc-2[nH]1 587060154 CIIOLWAKDNJLLL-UHFFFAOYSA-N 372.819 4.253 0 1 FIAF COc1nccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587068011 WDRLHYNMRJARLE-UHFFFAOYSA-N 365.820 4.446 0 1 FIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)c(F)cc4[nH]3)cc2N1 587122182 AMSZWLPQLAQOGJ-PWCHPLFNSA-N 357.286 4.012 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587151769 ILXKKZFQLHLAQN-ZIAGYGMSSA-N 356.372 4.218 0 1 FIAF O=C(N[C@H](c1ccccc1)c1nc2cc(F)c(F)cc2[nH]1)c1ccccc1 587217744 FFUSSVFWRJWOHH-LJQANCHMSA-N 363.367 4.361 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OC(F)(F)F)ccc1F)O2 587384275 ZGMUYNMHIPXVEB-OAHLLOKOSA-N 355.287 4.321 0 1 FIAF COc1cccc(-c2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)c1 587415208 YLMCBIRCQIHOQK-SFHVURJKSA-N 366.442 4.416 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(C1(C(=O)OCC)CCCC1)CC2=O 587482426 NXBAHWVJNJBWFH-FQEVSTJZSA-N 360.450 4.192 0 1 FIAF CCOC(=O)C[C@@]1(CC2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527832 YZQBVVJXEMIDII-JOCHJYFZSA-N 356.462 4.413 0 1 FIAF CC(C)O[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587602503 YEVBFZGLFIBFEA-FGSXEWAUSA-N 368.429 4.316 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)nc2)N1 587708684 ZCKKOMOLDYNRBO-JDNHERCYSA-N 369.665 4.434 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2ccccc2F)N1 587729616 WDDBGLCZWOWTSC-IINYFYTJSA-N 368.221 4.382 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(F)c2)N1 587733817 SPVITEXAZMPORY-BCTVWOGZSA-N 354.194 4.057 0 1 FIAF CC(C)Cn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587760973 RMKSDFDOKDIHOE-GTNSWQLSSA-N 366.278 4.064 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3o2)N1 587779744 VPKJMUZGQRHKPU-FVMDXXJSSA-N 361.214 4.353 0 1 FIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O 587824347 ZVLVYJKUTMMRMI-ADLMAVQZSA-N 364.258 4.400 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2C=O)N1 587844411 NSTHZFLCGQLUPT-AYVTZFPOSA-N 354.244 4.086 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cnc(Cl)cn1 587864708 JLJJSYDOVQTEQM-UHFFFAOYSA-N 368.746 4.400 0 1 FIAF CC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1C(F)(F)F 653838538 UVAIYFNKRRQHQT-KRWDZBQOSA-N 362.351 4.012 0 1 FIAF COc1ccc2c(c1)C[C@]1(C2)NC2(CC2)Cc2ccc(Br)cc21 961611721 CXZXPUHOWKRSPC-FQEVSTJZSA-N 370.290 4.130 0 1 FIAF NC[C@@]1(C2CCC(F)(F)CC2)NCCc2cccc(-c3ccccc3)c21 962665161 JKJNNKLXHPXOEL-QFIPXVFZSA-N 356.460 4.479 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@]12C(=O)Nc1cc(F)c(Cl)cc12 963242966 QTWALWHSILLOIC-YUNKPMOVSA-N 358.844 4.331 0 1 FIAF Cc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)Cc2ccccc2Cl)cc1C 61929046 SIRSCTBJEHRTSE-OAQYLSRUSA-N 370.880 4.129 0 3 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4Cc5cnoc5N[C@@]4(C)CC[C@H]32)C1 5711823 OEKPCRMLGNUUCU-YBHNGBFFSA-N 370.493 4.496 0 1 FIAF NCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 13864254 ZPMHAKPWQUMGJE-UHFFFAOYSA-N 353.418 4.064 0 1 FIAF CC1(C)C=Cc2c(ccc3c2O[C@H](c2ccc4c(c2)OCO4)CC3=O)O1 14618772 JRTNAZKQGYGUQE-SFHVURJKSA-N 350.370 4.306 0 1 FIAF biogenic COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C(=O)[C@H](C)[C@H]2C)cc1O 14726885 USTTXTJFVCFCIT-FKANQGBASA-N 356.418 4.018 0 1 FIAF biogenic CS(=O)(=O)c1ccc(-c2occ(Cl)c(=O)c2-c2cccs2)cc1 26270362 NJCLWIKAFHDKFU-UHFFFAOYSA-N 366.847 4.092 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CN(C(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29404992 YXKNWBJKYNIVOY-UUYWHIPUSA-N 361.526 4.029 0 1 FIAF CCO[C@@H](c1ccc2c(c1)OCCO2)[C@@H](SC(C)(C)C)n1ccnc1 45365266 CAUHKDAIFSLMRU-ZWKOTPCHSA-N 362.495 4.462 0 1 FIAF C[C@H](CO)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 72179225 OOOGYHDDMFLPAC-OAHLLOKOSA-N 368.908 4.112 0 1 FIAF CCCCN(C(=O)c1cccc(C)c1)c1nnc(-c2cccnc2)s1 84604572 VZUPEEOKGIKOPL-UHFFFAOYSA-N 352.463 4.355 0 1 FIAF C(=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3CC2CCOCC2)cc1)\c1ccccc1 100107725 ZHKFWAMRWOZXNK-SOTXCSMQSA-N 374.528 4.023 0 1 FIAF CCCN(CC)C(=O)c1cn(C)nc1Oc1cccc(C(F)(F)F)c1 103294686 IQFAJZVHUTXFEA-UHFFFAOYSA-N 355.360 4.103 0 1 FIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CCc4cc(Cl)ccc43)cc21 145708227 QTMNCKMMCNJUHN-QGZVFWFLSA-N 369.852 4.058 0 1 FIAF COc1ccc(CNc2ccc3ncc(-c4ccc5[nH]ccc5c4)n3n2)cc1 146159499 MAGBZORLMOIIRV-UHFFFAOYSA-N 369.428 4.498 0 1 FIAF Cc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc12 150271107 FXOUKIMZXIBVCA-UHFFFAOYSA-N 367.412 4.463 0 1 FIAF COC(=O)[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 257557693 USASLHCCADYMNF-OFDJFVTCSA-N 362.510 4.362 0 1 FIAF endogenous,in-man c1ccc(-c2nc3c(c(OCCCN4CCCCC4)n2)CCCC3)cc1 299825159 WYWPQLUAZPOYCP-UHFFFAOYSA-N 351.494 4.277 0 1 FIAF Oc1cccc2c1OCC(c1nc3c(F)c(Br)ccc3[nH]1)=C2 586908627 OXOIZJTVQSBJTD-UHFFFAOYSA-N 361.170 4.103 0 1 FIAF Cc1ccc(-c2nc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cs2)o1 587017263 UNHALXKJMWEHSG-UHFFFAOYSA-N 351.313 4.015 0 1 FIAF COc1cc(OC)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 587029955 VTFNJKJLRBGIRO-UHFFFAOYSA-N 367.430 4.283 0 1 FIAF Cc1cc(Br)c2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2c1 587044163 QMXRAOJUJDAZCF-UHFFFAOYSA-N 374.263 4.345 0 1 FIAF Cc1cc(Cl)ccc1OCCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 587066412 MYAWGWVNBIWGES-GOSISDBHSA-N 358.829 4.260 0 1 FIAF Clc1ccc(CN2CCC[C@H]2c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587075361 HTUADIORIINQNV-KRWDZBQOSA-N 369.852 4.325 0 1 FIAF Cc1nccc2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc12 587190655 LZVRGQBBWFDGCY-QGZVFWFLSA-N 352.438 4.223 0 1 FIAF N=C(N)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587194963 AFPVFEJHNPPTEH-UHFFFAOYSA-N 355.445 4.054 0 1 FIAF COc1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1C 587218221 GWXVLHXVMKJHSL-OAQYLSRUSA-N 371.440 4.399 0 1 FIAF CC(C)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341184 WPLUORNLJDJLGS-IDEPHGCFSA-N 369.436 4.360 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C(=O)OCC)C1CCCC1)CC2=O 587477518 CRSQVAJBKWEZEA-SIKLNZKXSA-N 374.477 4.438 0 1 FIAF CCCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1CO 587481471 MPOIDEUGMGLOAS-OAQYLSRUSA-N 370.445 4.332 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C3(C)COC3)cc1)CC2=O 587493824 WHRZGUWIVYXDGQ-FQEVSTJZSA-N 352.430 4.339 0 1 FIAF COc1cc(N)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587512008 TYEFXFYVWRPFEC-JOCHJYFZSA-N 367.445 4.045 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCO2 587612478 UXMNKYCRINGHKG-UGKGYDQZSA-N 360.365 4.030 0 1 FIAF CCc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587615118 VWTSIJMAIATKOO-QFBILLFUSA-N 353.399 4.114 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc(Cl)n1 587656894 KLFNHSCJCUQPGU-UHFFFAOYSA-N 351.768 4.240 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CF)(c2ccccc2)N1 587721708 XDZJVPPPKPKTQH-DIFFPNOSSA-N 352.222 4.336 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2F)N1 587725122 NTGOBSBATWVBFN-XLFHBGCDSA-N 368.221 4.231 0 1 FIAF CO[C@@H]1[C@H](C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 587807929 FLQBUSOAKPJUOR-ZYGLAHAYSA-N 368.290 4.153 0 1 FIAF CC[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587817045 HMTLGGNXIJJHPM-RVPKQNPDSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cc3ccccc3OC2)N1 587832271 BFSGKOHOBXOXDN-BUXKBTBVSA-N 374.253 4.424 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(C[C@@H](C)c3cccc(OC)c3)nc2c1 587931043 LSSTUAHARKZJRG-LLVKDONJSA-N 358.825 4.358 0 1 FIAF Cc1ccc2oc(=O)c(-c3cccc(OCCCCN(C)C)c3)cc2c1 653766929 HPNIMUYJXYOPAV-UHFFFAOYSA-N 351.446 4.489 0 1 FIAF Cc1ccnc2c1CCN[C@@H]2[C@H]1CCCCC=C[C@@H]1NC(=O)OC(C)(C)C 963078175 XSRVJQDJKUKWCX-CMKODMSKSA-N 371.525 4.217 0 1 FIAF COc1ccc2[nH]cc([C@]3(C)NCCc4c(OC)ccc(Cl)c43)c2c1 963256769 DZLYCUNLWYYCOT-FQEVSTJZSA-N 356.853 4.248 0 1 FIAF CCCN(C)c1nc(O)c(C)c([C@@H](OC)c2c(Cl)cccc2Cl)n1 1857543512 FBXUEHIPDXLGMJ-HNNXBMFYSA-N 370.280 4.379 0 1 FIAF c1ccc([C@@H]([C@H](c2ccccn2)N2CCCCC2)N2CCCCC2)nc1 1857567855 QLTBRUVLRLFPSE-VXKWHMMOSA-N 350.510 4.231 0 1 FIAF COc1c2c(cc3ccoc13)CC[C@@H](CC=CC=CC(=O)NCC(C)C)O2 2356536200 QXUGXSMOZSERHH-GOSISDBHSA-N 369.461 4.410 0 1 FIAF CCC=CC[C@@H](O)C=CC=CCCC=CC=CC=C[C@H](O)CCC(=O)O 2356845551 OGAHFIOAOYQNIH-RTWAWAEBSA-N 360.494 4.491 0 1 FIAF CC(C)=CCc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 3974476 DBAAXPIMQWCLHT-KRWDZBQOSA-N 354.402 4.327 0 1 FIAF biogenic CC[C@H](C)NC(=O)C1CCN(Cc2nc(-c3ccccc3C)oc2C)CC1 5043327 GSMNHAHMWFBAIK-INIZCTEOSA-N 369.509 4.085 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27410452 ZOIUUCNFVDJSJK-QAVABFCGSA-N 374.569 4.039 0 1 FIAF Cc1[nH]cnc1C1CCN(c2ncncc2-c2cccc(Cl)c2)CC1 36176448 TXEVILRPVNDVRU-UHFFFAOYSA-N 353.857 4.213 0 1 FIAF O=C1OC2(CCOCC2)CN1Cc1ccc(OCC2CCCCC2)cc1 40937438 LFSPZMNFGGUOND-UHFFFAOYSA-N 359.466 4.147 0 1 FIAF CCc1c(Sc2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O 43120519 PLQGHPYXCMCHDB-UHFFFAOYSA-N 370.518 4.367 0 1 FIAF CCO[C@@H](c1ccc2c(c1)OCCO2)[C@H](SC(C)(C)C)n1ccnc1 45365260 CAUHKDAIFSLMRU-ROUUACIJSA-N 362.495 4.462 0 1 FIAF CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc3c(c1)OCO3)CC2=O 45496837 BYJHRPCUKQDFRM-SFHVURJKSA-N 368.385 4.042 0 1 FIAF CC(C)(C)c1cc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@@H]3CC[C@H]2O3)cc(C(C)(C)C)c1 64513879 YLLRVWDINXMUMJ-VSZNYVQBSA-N 373.493 4.098 0 1 FIAF COc1cccc(CCNc2cc(-c3cc(Cl)ccc3OC)ncn2)c1 82161134 UFHIJTGTRNDEAZ-UHFFFAOYSA-N 369.852 4.469 0 1 FIAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(F)cc1)[C@@H]2COc1ccc2c(c1)OCO2 84638488 CUWDCKZGAWYXEX-LMCOJAPRSA-N 369.436 4.200 0 1 FIAF COc1ccc(C[C@H](C)[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)cc1OC 86048077 JHEXMPZEYDIRNZ-DFFLPILJSA-N 374.477 4.269 0 1 FIAF biogenic C[C@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N(C)C2 100844622 ZSLWUVZDXDAKIP-VGVSJJQXSA-N 353.865 4.055 0 1 FIAF O=C(Cc1ccccc1)N1CCc2c([nH]c3ccc(Br)cc23)C1 103269211 DXXPEOLMPPVWMN-UHFFFAOYSA-N 369.262 4.058 0 1 FIAF O=C(Nc1cccc2ccccc12)c1cccnc1NCc1ccncc1 113846819 JMOIDPITTVZCMW-UHFFFAOYSA-N 354.413 4.494 0 1 FIAF O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1ccccn1 113875496 ZOQPXTUPEZCAGF-UHFFFAOYSA-N 353.385 4.359 0 1 FIAF CN(C)c1ccc([C@H]2CC[C@H](NC(=O)Nc3cccc4[nH]ncc34)C2)cc1 169704905 UAIXVDDRIGKSCV-HOTGVXAUSA-N 363.465 4.087 0 1 FIAF O=C1NC[C@H](c2ccc(-c3ccccc3)c(F)c2)N1c1ccn2ccnc2c1 198381549 QMJZNNHCKNCTHD-HXUWFJFHSA-N 372.403 4.411 0 1 FIAF COc1ccc(-c2cnc3c(N4CCCCC4)snc3c2)cc1OC 223286191 BUMJEORQZSPLCL-UHFFFAOYSA-N 355.463 4.366 0 1 FIAF CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]2C(=O)O 227411253 QPQWEZDEJJESTO-RRCSTGOVSA-N 367.367 4.337 0 1 FIAF C[C@H](C[C@]1(C(=O)O)[C@H]2CCC=C3C(=O)OC[C@]32CC[C@H]1C)c1ccoc1 238736866 QJSXPJCSCZFGGZ-SJWKDOTJSA-N 358.434 4.154 0 1 FIAF CC(=O)OC[C@@]12CC[C@@H]3[C@H](CCC4=C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(C)=O 253633090 DJJZPTWGFYVUFB-YEIMGMBMSA-N 374.521 4.059 0 1 FIAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC1 584606362 VLOYGTFAWSHKJJ-UHFFFAOYSA-N 373.334 4.287 0 1 FIAF Cc1nc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2cc1Br 587016241 IHGUCTPFBFNTBU-NSHDSACASA-N 365.256 4.004 0 1 FIAF CN(C)CCOc1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023547 LNOFHHUMRDBWOH-UHFFFAOYSA-N 370.503 4.355 0 1 FIAF COc1cncc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587122890 NUAUBGLDHCNTOI-UHFFFAOYSA-N 369.368 4.299 0 1 FIAF Cc1c(F)ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587126457 XETKNZRKXJMTNG-KRTXAFLBSA-N 353.323 4.181 0 1 FIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Cl)ccnc2[nH]1)C(C)(C)C 587205359 QDQIJNXTSBCUES-LLVKDONJSA-N 352.866 4.093 0 1 FIAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587248897 BLESGWZXDLXJLY-UHFFFAOYSA-N 373.412 4.013 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]ccc32)[C@H]1c1ccc(F)cc1 587344948 HXUMZJFRTMKHQB-RBBKRZOGSA-N 363.388 4.450 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(C)c1F)O2 587382721 UJKHJFZZXDEBBR-OAHLLOKOSA-N 364.214 4.494 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCN(c3ccc(F)cc3)C1)CC2=O 587472934 WWUFUENMOMCWGH-OAQYLSRUSA-N 355.409 4.098 0 1 FIAF COCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523655 OFCXNLUQKUMSJO-NRFANRHFSA-N 352.430 4.297 0 1 FIAF Cc1cc2c(cc1C)[C@]1(CC(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587529535 BIKVTIIBIVGKGK-HSZRJFAPSA-N 362.425 4.352 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1O 587550805 YUDLQMPQKZQMFX-FXAWDEMLSA-N 368.772 4.454 0 1 FIAF Cc1ccc(OC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593683 MRXFXYQFKHVBRL-VQTJNVASSA-N 362.381 4.110 0 1 FIAF CCc1noc(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792570 IYWZHMOINJGYFZ-XLFHBGCDSA-N 367.262 4.245 0 1 FIAF Cc1ccnc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587802791 NRTUVKGXJZPZLO-DYZYQPBXSA-N 374.257 4.397 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C=O)c2)N1 587813781 DVTWNLARWPVVQG-BBATYDOGSA-N 362.242 4.198 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C=O)cc2)N1 587816645 ZJVGULDEZIAMLY-ADLMAVQZSA-N 362.242 4.198 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)OC2(C)C)N1 587835635 WUBNYYRWQIGNOI-DYZYQPBXSA-N 356.279 4.295 0 1 FIAF COC(=O)c1cc(OC)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1OC 587943536 HCOPUYFJACXVHU-UHFFFAOYSA-N 373.355 4.226 0 1 FIAF Cc1cc2c(cc1F)[C@](c1ccc(Cl)cc1)([C@H](C)CC(=O)O)NCC2 962140926 AAMJTMJQLDQBKI-ZUOKHONESA-N 361.844 4.288 0 1 FIAF CC[C@H](Nc1nc(-c2ccc(O)c(OC)c2)ncc1C)c1cccnc1 1772603496 NUOAXIBZOPJLJK-INIZCTEOSA-N 350.422 4.124 0 1 FIAF C[C@H]1CN(C(=O)CC(C)(C)C)CCN1C(=S)Nc1ccc(Cl)cc1 1857534107 KZXFTMDMPCQZBE-ZDUSSCGKSA-N 367.946 4.006 0 1 FIAF CCCCCCSc1nnc(COc2ccc3c(c2)CCC(=O)N3)o1 2382258064 NIHJLSDEIVHUQH-UHFFFAOYSA-N 361.467 4.206 0 1 FIAF COC(=O)c1ccc(-c2cc(O)c(SCc3ccccc3)c(=O)o2)cc1 6482667 XQDVXONCEAEMFI-UHFFFAOYSA-N 368.410 4.091 0 1 FIAF COc1ccc2c(c1)CC[C@H](C1CCN(CCc3ccccc3)CC1)C2=O 13734330 NEEHDVAXWHGCFS-JOCHJYFZSA-N 363.501 4.395 0 1 FIAF COc1ccc(Nc2nnc(SCc3ccccc3C)[nH]2)cc1OC 14964229 HBVGHXDAASJJML-UHFFFAOYSA-N 356.451 4.166 0 1 FIAF COc1cc(OC)c(NC(=O)NCCc2csc(C)c2C)cc1Cl 21088260 PRFZVECAHILUFS-UHFFFAOYSA-N 368.886 4.400 0 1 FIAF O=C1C[C@@H](c2ccccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27094978 QDKXRIQQJJEIQU-JTQLQIEISA-N 374.223 4.458 0 1 FIAF Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@H]2Cc2ccccc2)cc1 28704327 OWSCNQDUPWBPPF-GOSISDBHSA-N 361.894 4.123 0 1 FIAF Nc1c(Cc2cc(Cl)ccc2O)c2ccc(C(F)(F)F)cc2[nH]c1=O 29346033 MLWRSUPCEHZPCA-UHFFFAOYSA-N 368.742 4.079 0 1 FIAF COc1ccc2c(c1)Oc1ncn3ncnc3c1[C@H]2c1ccc(Cl)cc1 95595677 LIOXBHQTYGWZNI-INIZCTEOSA-N 364.792 4.072 0 1 FIAF COc1cccc(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)c1 136473741 NBESDACESWOIMV-UHFFFAOYSA-N 360.464 4.286 0 1 FIAF ON=C1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1 144963041 FIYIDHNDOPYZKK-UHFFFAOYSA-N 355.829 4.234 0 1 FIAF C[C@H](C(=O)N[C@@H]1COc2ncccc21)c1cccc(C(F)(F)F)c1Cl 146503832 CGZWZKJDTFHJQE-TVQRCGJNSA-N 370.758 4.107 0 1 FIAF O=C(Nc1ccnc(Cl)c1)c1ccc2nc(N3CCCC3)sc2c1 169340552 CCQWYEYHRHCBEX-UHFFFAOYSA-N 358.854 4.197 0 1 FIAF C[C@@H](Sc1ncccn1)c1nc2cc(Br)cc(F)c2[nH]1 586963200 YBKJQQLPYVOTSE-SSDOTTSWSA-N 353.220 4.108 0 1 FIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 587068557 CPFNATONSUQNKG-LLVKDONJSA-N 356.809 4.364 0 1 FIAF COC(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1OC 587074369 UHDBRKWOIYOWMZ-UHFFFAOYSA-N 370.836 4.286 0 1 FIAF Cc1ccc2c3c(cc(C4C(=O)CCCC4=O)nc13)-c1ccccc1C2=O 587101840 WLVOLBNLDVTFMD-UHFFFAOYSA-N 355.393 4.160 0 1 FIAF CC(=O)N[C@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587206468 MYVPRHLZNZMQOK-MRXNPFEDSA-N 361.367 4.310 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1nc2c(Cl)ccnc2[nH]1)C1CCCC1 587227229 XGBOSBICDFILML-GFCCVEGCSA-N 350.850 4.367 0 1 FIAF COc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1F 587242263 QWYDLRPUWJOYHS-UHFFFAOYSA-N 373.384 4.430 0 1 FIAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)on1 587343560 CRNFRKBIUPXICF-AZUAARDMSA-N 353.349 4.102 0 1 FIAF CC[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587356787 RUZZPXMYDZJPAJ-HXGDPMPDSA-N 354.377 4.018 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@@H](C)CC(=O)O)O2 587377149 HDFYQJCXLIRNGY-YUNKPMOVSA-N 373.836 4.202 0 1 FIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1SC 587409936 OHKBJCOEFSLFMT-INIZCTEOSA-N 359.447 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4cc(Cl)ccc14)[C@@H](C2)C3=O 587422944 ROOPJCQHXGBKQQ-VBKZILBWSA-N 353.805 4.493 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccco1)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O 587439861 XMNPFFWNCOGSOE-QMHKHESXSA-N 371.392 4.461 0 1 FIAF COc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444114 SFWZFMORIRBYEU-HYBUGGRVSA-N 372.420 4.395 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(cnn3C)c1)CC2=O 587474797 HFEPJXPWVYCYCK-OAQYLSRUSA-N 350.418 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1C)CC2=O 587482975 SSJPJMTWYFATIG-GOSISDBHSA-N 356.418 4.377 0 1 FIAF Cc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587607449 IOJAJMCRKRLZLK-UGKGYDQZSA-N 362.381 4.418 0 1 FIAF CC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587614331 RWHQIPLQSXOQCV-PXNSSMCTSA-N 366.394 4.359 0 1 FIAF COc1ccccc1Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660855 ULFOPIJFRTYPGD-UHFFFAOYSA-N 360.388 4.260 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cnc2F)N1 587740533 XXWAMGXZXGINOV-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)OC2(C)C)N1 587835636 WUBNYYRWQIGNOI-QGHHPUGFSA-N 356.279 4.295 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)c(O)c3[nH]1)CC2 587934664 MDPLJKNZLYQYKP-NSHDSACASA-N 373.250 4.312 0 1 FIAF CCC[C@H](c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(C)C 587957036 YIVDIRHBRSSQSF-HNNXBMFYSA-N 351.516 4.133 0 1 FIAF CC1(C)[C@@H](OCc2ccc(CN)cc2)C[C@]12NCCc1cccc(Cl)c12 963380491 LMCSLPRCUHPMOD-SIKLNZKXSA-N 370.924 4.155 0 1 FIAF Cc1nc(-c2cccc3ccccc23)sc1C(=O)N1CCc2nc[nH]c2C1 1772585861 CGZCLJFIPQNDBL-UHFFFAOYSA-N 374.469 4.193 0 1 FIAF COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(F)cc2)cc1 1857773916 GKMJBDQFGBGAHD-UHFFFAOYSA-N 361.372 4.231 0 1 FIAF C=C1CC[C@H]2C(=O)O[C@@H](c3ccoc3)C[C@]2(C)C/C=C\C=C/1C(=O)OC 5839428 LXCZVMFGPWLGIO-AUDDPRLISA-N 356.418 4.286 0 1 FIAF CCCCc1ccc(CCNC(=O)/C=C/c2ccc(O)c(OC)c2)cc1 13380572 QHMUIOCUPBCVFT-ACCUITESSA-N 353.462 4.116 0 1 FIAF biogenic,in-vitro Cc1cccc(Cl)c1Nc1nc2ccc(N(C)C)nc2n2cncc12 13582033 XBBOHYHLZBXYIV-UHFFFAOYSA-N 352.829 4.049 0 1 FIAF Cc1ccc2c(C)nc(N3CCC[C@H](NCc4ccsc4)CC3)nc2c1 15005507 AXKGBMPQKKPENR-SFHVURJKSA-N 366.534 4.457 0 1 FIAF CCC(=O)C(CCCCCCc1cc(OC)c(O)c(OC)c1)C(=O)CC 32139015 BUNFSYUTYBDCAM-UHFFFAOYSA-N 364.482 4.477 0 1 FIAF COc1ccc(C(=C(F)F)c2cc(OC)c(OC)c(OC)c2)cc1O 40845701 MBCRBMZSBBOEIB-UHFFFAOYSA-N 352.333 4.083 0 1 FIAF COc1oc(C[C@H](O)CCCCCCc2ccccc2)c(C)c(=O)c1C 49784547 ARDHEUHDTIAYGF-LJQANCHMSA-N 358.478 4.362 0 1 FIAF O=C(Cn1c(-c2nccs2)nc2ccccc21)Nc1ccc(Cl)cc1 73298590 LFVKNKXBNXJATI-UHFFFAOYSA-N 368.849 4.452 0 1 FIAF CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccccc2F)n1 82150836 ZDLYSLXAVUEXRN-KSSFIOAISA-N 370.472 4.047 0 1 FIAF CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)n3)nc2c1 84687283 YLESIDOZBVSZQT-UHFFFAOYSA-N 363.442 4.086 0 1 FIAF O=C(Nc1cc(F)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1 95560559 DWCAZANCTMQOOT-UHFFFAOYSA-N 365.389 4.043 0 1 FIAF C=Cc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)c1 96272135 ZOXRGDBGFKQBHU-QGZVFWFLSA-N 368.864 4.474 0 1 FIAF O=C(O)[C@@H]1CCCN(CCO/C=C/c2ccccc2Cc2ccccc2)C1 96923638 ZYHNOHYSMANAKL-OWSFEGEDSA-N 365.473 4.061 0 1 FIAF CCc1c(Sc2ccccc2)n(OCc2ccccc2)c(=S)[nH]c1=O 98083827 LITVKOIVVRLAGB-UHFFFAOYSA-N 370.499 4.248 0 1 FIAF CC(=O)C[C@H]1c2ccccc2N=C(n2cncn2)N1c1ccc(Cl)cc1 103176739 VLWAWFHZQYVYOF-SFHVURJKSA-N 365.824 4.008 0 1 FIAF CCOC(=O)c1c(NC(C)=O)sc(C(C)=O)c1-c1ccc(Cl)cc1 144059267 FOVNOIYDJMJWRZ-UHFFFAOYSA-N 365.838 4.406 0 1 FIAF O=C(O)c1ccnc(-c2cn(Cc3cccc(-c4ccccc4)c3)cn2)c1 225935863 IGXZIIVCDBVBSB-UHFFFAOYSA-N 355.397 4.359 0 1 FIAF CC(C)(C)c1cc(Nc2nc(N3CCCCCC3)nc3c2CCC3)n[nH]1 299861057 HOYIGXCRCXIECG-UHFFFAOYSA-N 354.502 4.110 0 1 FIAF COc1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 587171970 BPWJQNSNOIWNDB-UHFFFAOYSA-N 367.355 4.167 0 1 FIAF O=C(OCc1ccccc1)N1CC[C@]2(Cc3c2nc2cccc4c2c3CC4)C1 587211578 GWVQHQYIEFSJFU-DEOSSOPVSA-N 370.452 4.170 0 1 FIAF c1ccc(CNc2ncccc2-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587229548 HTLRGXAVRCOTSP-UHFFFAOYSA-N 358.401 4.008 0 1 FIAF O=C(c1c(CO)oc2cc(Br)cnc12)C1CCC(F)(F)CC1 587276613 OZLRRSLYKCBADO-UHFFFAOYSA-N 374.181 4.091 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cccc(Cl)c1)O2 587377490 IWGZYWOYSLKNKR-WHXUGTBJSA-N 356.853 4.167 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(Cc3ccccn3)c1C)O2 587389653 MPUFHFIFRZCCFD-NRFANRHFSA-N 361.445 4.145 0 1 FIAF CC[C@]1(c2ccc3c(c2)CCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450255 FESBPKCNPPUXLM-VGOFRKELSA-N 350.414 4.073 0 1 FIAF CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1N 587511220 OAOZUGUKMGLUFV-JOCHJYFZSA-N 351.446 4.427 0 1 FIAF CC(C)(C)CC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604132 RHRXVMOGHXFHRM-IIBYNOLFSA-N 370.401 4.004 0 1 FIAF CCC[C@H](O)[C@]1(CCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608231 KKEGSZOXRLQPDX-UEXGIBASSA-N 356.418 4.054 0 1 FIAF CCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611296 HUXVABIONUXTET-LPHOPBHVSA-N 353.399 4.114 0 1 FIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnc1F 587738282 MJAXJYPDCMTZOP-RFAUZJTJSA-N 353.210 4.054 0 1 FIAF CCOc1ncccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587771460 LUHTVNCIGOFQCT-QLJPJBMISA-N 365.246 4.006 0 1 FIAF Cc1cncc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587772682 GANSXVQFKTVNOK-KZULUSFZSA-N 363.274 4.500 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccncc3[nH]2)N1 587802802 NTKPTPJKMXBJAC-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF CCO[C@H]1C[C@@]2(c3ccsc3CCN2Cc2cccnc2)C12CCC2 963009303 LZPLSARYVGTSJE-PZJWPPBQSA-N 354.519 4.376 0 1 FIAF CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cccnc2)CC1 1857643517 YUJHFBQKRCAUAK-UHFFFAOYSA-N 366.509 4.380 0 1 FIAF CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccc(F)cc3)cccn12 61926131 QBJPMWRNHDKEQU-UHFFFAOYSA-N 371.412 4.208 0 3 FIAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]12 13783453 VQHQLBARMFAKSV-POHUPDAJSA-N 356.462 4.400 0 1 FIAF COc1cc(OC)c(-c2cc3cc4ccoc4cc3oc2=O)cc1OC 14822187 HHHCFSNROIVKQQ-UHFFFAOYSA-N 352.342 4.232 0 1 FIAF biogenic O=C(O)CC1=C(c2ccc(Cl)cc2)N=C(S)N[C@H]1c1ccccc1 29466784 UEJLKEMHJOUWHY-INIZCTEOSA-N 358.850 4.156 0 1 FIAF c1ccc(Cc2ccc(OC[C@H]3CN(Cc4ccccc4)CCN3)cc2)cc1 49089065 POXGQRTZXDIFDA-XMMPIXPASA-N 372.512 4.130 0 1 FIAF O=C(c1ccc(NCCn2cncn2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 64559674 GYOLLZWNPZHCEI-MOPGFXCFSA-N 366.852 4.030 0 1 FIAF CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OCCc2ccccc2)c1 85597531 HBJGDYFQGFKWLU-LJQANCHMSA-N 356.462 4.067 0 1 FIAF biogenic,in-vitro Cc1nc2sc(C(=O)N[C@@H](C)c3ccccn3)c(N)c2c(C)c1Cl 95598213 XPUAFVVATUXMLI-VIFPVBQESA-N 360.870 4.035 0 1 FIAF CCN(C(=O)c1ccccc1OCc1ccccc1F)[C@@H]1CCC[C@H](N)C1 96286340 ZDXREZFNPUOZCQ-ZWKOTPCHSA-N 370.468 4.137 0 1 FIAF COC12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2NCCNC/C=C(\C)CCC=C(C)C 101863790 BJOKLVJCEGAZJQ-ADFCUVIWSA-N 360.586 4.452 0 1 FIAF CN1C/C=C\CCOc2cc(ccn2)-c2ccnc(n2)Nc2cccc(c2)C1 137320287 GILWXCHDCXNXEJ-IHWYPQMZSA-N 373.460 4.053 0 1 FIAF Oc1ccccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 139791814 LZCGVOWZEUNQHQ-UHFFFAOYSA-N 354.413 4.001 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253649278 ZOIUUCNFVDJSJK-SOCMIKLXSA-N 374.569 4.039 0 1 FIAF O[C@H]1C[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2ccccc21 586901216 GCJDHOPWNIWAHJ-MFKMUULPSA-N 369.293 4.181 0 1 FIAF CCn1cc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cn1 586986439 BCMRDLIKKZXYMP-UHFFFAOYSA-N 355.397 4.344 0 1 FIAF Cc1nc(Br)sc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587012625 ZPLOTKSRKQLUCP-UHFFFAOYSA-N 364.055 4.459 0 1 FIAF N=c1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c[nH]1 587158608 IBGFKGDIDDHCBD-GOSISDBHSA-N 368.799 4.331 0 1 FIAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3nc(Cl)ncc3[nH]2)cc1 587158925 SQTGWGLHEPSQHG-UHFFFAOYSA-N 352.756 4.292 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 587168171 UHSAGFLSRWHATL-MRXNPFEDSA-N 360.339 4.349 0 1 FIAF Nc1cccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1C(=O)O 587248374 OKKQIBKOGGRFRE-UHFFFAOYSA-N 355.703 4.183 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1N[C@@H]1c1ccccc1)O2 587401531 SCHZSQFEEHBOAL-JRFVFWCSSA-N 370.452 4.151 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccccc4)[nH]c1Cl)[C@@H](C2)C3=O 587418804 CWUOFWTWRHYXCR-UGSOOPFHSA-N 366.804 4.227 0 1 FIAF COc1cc2c3c(c1)O[C@]1(C[C@@H](OCc4ccccc4)C1(C)C)[C@@H](C2)C3=O 587440200 BCPXXJZQJDJGCV-GEQKSPFYSA-N 364.441 4.197 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)OC1(C)C)[C@@H](C2)C3=O 587455035 HTFSFCTUKKEEJS-ZJBJCVSYSA-N 350.414 4.122 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(OC)c(F)cc31)CC2=O 587471668 LZSRUASZIFPSKN-NRFANRHFSA-N 356.393 4.299 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccccc1)CC2=O 587478370 ARZMUYKXQAEQRD-OAQYLSRUSA-N 354.402 4.070 0 1 FIAF Cc1cccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587586882 LAOUOFUKTVSRHR-KNQAVFIVSA-N 361.397 4.059 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1NCC2 587597917 WSLDQDJYPZRJNR-XMSQKQJNSA-N 359.381 4.063 0 1 FIAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc1C 587619281 WTYJBBLZQOZNSG-WIYYLYMNSA-N 350.370 4.479 0 1 FIAF CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2cc(Cl)c(F)cc12 587631113 GYFOUDGHUMCHBO-UHFFFAOYSA-N 370.808 4.162 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(C(C)(C)C)c2)N1 587761446 UIIJNCCVPMNNLZ-QLJPJBMISA-N 366.278 4.163 0 1 FIAF COCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587801701 MZXJHJAINVXBNM-ZMZPIMSZSA-N 364.258 4.358 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc2ncccc12 587870783 RJKQRRSUPYMMKJ-UHFFFAOYSA-N 361.376 4.325 0 1 FIAF Cc1ccncc1[C@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962649209 ZQDHCUJOULRRGX-RDGATRHJSA-N 369.512 4.400 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@]31c2cc(Cl)ccc2C[C@@H]1C 963051775 ZEACDFCIOVWQKL-WHEQGISXSA-N 364.876 4.478 0 1 FIAF CCOC(=O)C[C@]1(c2cccs2)NCCc2c(Cl)cc(Cl)cc21 963115397 AEOBRAGGLYRJDZ-KRWDZBQOSA-N 370.301 4.397 0 1 FIAF CCCOc1cccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772636398 JYGMNRQZKSZYGI-KRWDZBQOSA-N 366.505 4.231 0 1 FIAF Brc1cccc(-n2cc(COc3ccc4c(c3)CCC4)nn2)c1 2382236913 LERNDBIWMNAIHK-UHFFFAOYSA-N 370.250 4.098 0 1 FIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1Cc2c(-c3ccccc3)ccnc2O1 61929565 MHZPFWIKZPWGGV-SFHVURJKSA-N 350.805 4.344 0 3 FIAF O[C@@](Cn1ccnc1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 599401 DZGMNXWTQWGZTK-JOCHJYFZSA-N 359.404 4.020 0 1 FIAF COc1ccc(CNc2cc(-c3ccccc3Cl)ncn2)c(OC)c1 4266873 QWZFAFMZDRSDKM-UHFFFAOYSA-N 355.825 4.426 0 1 FIAF CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CO)cc2)nc(N)n1 26386617 JLWLMNIZKVKADB-UHFFFAOYSA-N 370.840 4.014 0 1 FIAF Cc1cccc(C)c1[C@@H]1SCC(=O)N1c1cc(Br)ccn1 40950972 YAAIRVJKLBZZNS-INIZCTEOSA-N 363.280 4.240 0 1 FIAF O=C(O)[C@H]1CCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64447026 FIMFEAXKPOZWDG-IMSXRSKXSA-N 361.485 4.030 0 1 FIAF CCCOC(=O)CCCCN[C@]1(c2ccccc2Cl)CCCCC1=O 96911374 MDFUNBBVYZXYJZ-FQEVSTJZSA-N 365.901 4.392 0 1 FIAF CC(C)(O)CCc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12 141969784 YPSWZIMENUQPDQ-UHFFFAOYSA-N 355.869 4.166 0 1 FIAF C[C@]1(c2cc(N[C@@H]3CCc4cc(Cl)ccc43)ccc2F)COCC(N)=N1 142922365 IVCFPJIINVIDFL-UYAOXDASSA-N 373.859 4.181 0 1 FIAF Cc1ccc(Cn2c(=N)n(C[C@@H](O)c3ccccc3)c3ccccc32)cc1 205425532 ZEYVHYSBRLPOGD-JOCHJYFZSA-N 357.457 4.013 0 1 FIAF O=C(OC[C@@H]1CCCN2CCCC[C@@H]12)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 504197430 IJUBJARZEOLNML-KDKLDIIGSA-N 365.945 4.372 0 1 FIAF biogenic Cc1ccc(SCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C)c1 586965199 TWYWDLMAEXAEMM-UHFFFAOYSA-N 367.518 4.304 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC1(CCOCC1)C3 586991717 PMYOMLXICMNQMV-UHFFFAOYSA-N 371.436 4.437 0 1 FIAF CC1(C)[C@@H](C(=O)O)C[C@H]1c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991719 VVRGHHQRDGQUKA-LSDHHAIUSA-N 373.408 4.366 0 1 FIAF C[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](n2cncn2)C1 587104809 JSJJECRTOWCHMU-ORAYPTAESA-N 366.424 4.209 0 1 FIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cnc5ccccc5c4[nH]3)cc2N1 587124772 OMSVOPIIFKRNAR-OTYXRUKQSA-N 372.354 4.282 0 1 FIAF Fc1cc(C(F)(F)F)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 587124952 QATXWQCMPBJYHM-UHFFFAOYSA-N 361.245 4.427 0 1 FIAF Fc1cc(Br)c(Cl)cc1-c1nc2c(Cl)ncnc2[nH]1 587137101 SWZAEWYPQXBMAX-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF CC(C)CC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353068 KZGIRYASIUREIY-CTNGQTDRSA-N 356.393 4.264 0 1 FIAF Cc1cc(OC(F)(F)F)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587380787 AMRCUJNHUBBVLQ-MRXNPFEDSA-N 351.324 4.491 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)C)cc1)(C(C)(C)O)O2 587404563 RTEPCLGYOQGUIU-QFIPXVFZSA-N 353.462 4.332 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccsc2C(=O)c2ccsc21 587414902 PLHGQHIQWAVLMR-IBGZPJMESA-N 367.451 4.154 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCNc4cc(Cl)ccc41)[C@@H](C2)C3=O 587423053 SXBWWYCSDCRIIW-MGPUTAFESA-N 355.821 4.197 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c[nH]1)CC2=O 587461734 YFQOAGYQSOLUJD-OAHLLOKOSA-N 350.212 4.142 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CC)nc1C(F)(F)F)CC2=O 587464647 VHFWQGAIVIFUFC-OAHLLOKOSA-N 368.355 4.286 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cccc(F)c1)CC2=O 587466824 MXSWQFIKAMGRST-NRFANRHFSA-N 372.392 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCC(C)(C)C[C@@H]1C(=O)OCC)CC2=O 587476257 ADWUMQPBATWDGI-OPAMFIHVSA-N 374.477 4.438 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ncccc2o1 587589970 ZALIOAYAHYLPCH-RXVVDRJESA-N 359.337 4.236 0 1 FIAF COc1ccc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596075 UKMJAGSARBEQIB-DENIHFKCSA-N 362.381 4.412 0 1 FIAF Cc1cc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)c(C)o1 587639097 VNFNROOTLPTSAK-UHFFFAOYSA-N 351.280 4.488 0 1 FIAF CC(C)[C@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775810 AEKABDUDWUILHR-KPZWWZAWSA-N 363.274 4.417 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cnccc32)N1 587777383 GZQAGUWZWTYUIP-ADLMAVQZSA-N 361.258 4.097 0 1 FIAF CC(C)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 587798386 VLEAHGGCZGHAAS-ABKXIKBNSA-N 353.235 4.323 0 1 FIAF c1coc(CN2CCc3sccc3[C@@]23CCc2[nH]c4cccnc4c23)c1 962701349 CZHNCVIDQLVCAX-OAQYLSRUSA-N 361.470 4.466 0 1 FIAF O=C(Cc1cccc(-c2cccc(C3CCNCC3)c2)c1)Nc1cccnc1 1772652549 WKHBHZBDIZKFCA-UHFFFAOYSA-N 371.484 4.397 0 1 FIAF O=c1ccc2ccc(OC[C@H]3CC(c4ccc(Cl)cc4)=NO3)cc2o1 1772656356 VYPYYEQICSUYTC-MRXNPFEDSA-N 355.777 4.018 0 1 FIAF CCC/C=C/COCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1 1857579483 UEXQNKRCLAUNPW-SNAWJCMRSA-N 351.406 4.201 0 1 FIAF Cc1ccc(NC(=S)N2CCN(C(=O)CC3CCCCC3)C[C@@H]2C)cc1 1857615017 IMQVXYHGTRZLKF-KRWDZBQOSA-N 373.566 4.195 0 1 FIAF CC(=O)Nc1nc2ccc(-c3ccc(O)cc3)cc2n1-c1ccc(O)cc1 1857653201 QWVGEZJBFHXQJD-UHFFFAOYSA-N 359.385 4.062 0 1 FIAF COc1cc2c(cc1O)[C@H](c1c(Cl)cccc1Cl)CN(C)CC2 1911572031 NMKSECCQSQUWGT-CYBMUJFWSA-N 352.261 4.327 0 1 FIAF COC(=O)C1(C(=O)OC)CCC[C@@]2(C)c3cc4occc4c(C)c3CC[C@@H]12 2356454343 INTWVMASYRXTLY-NQIIRXRSSA-N 370.445 4.078 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)C[C@H](O)C=C(C)C[C@H](O)[C@H]12 2356521454 YVXKBXZXMGSJNO-KZXPGGEUSA-N 364.526 4.015 0 1 FIAF COc1ccccc1-c1ccc(-c2cn(-c3cccc(C(=O)O)c3)nn2)cc1 2382246468 NARZDIXJBXXSBB-UHFFFAOYSA-N 371.396 4.308 0 1 FIAF O=C(NCC1CC1)[C@@]1(C(F)(F)F)C[C@@H](CCc2ccccc2)CCCO1 13829058 YWDHRKWQVZZSFH-VQIMIIECSA-N 369.427 4.263 0 3 FIAF COc1cccc([C@@](C)(O)c2nc(-c3cccc(NC(C)=O)c3)cs2)c1 61926596 KBHSHZQDKSLATH-HXUWFJFHSA-N 368.458 4.033 0 3 FIAF COc1ccc(CCc2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1 13834979 QSJJVSIQQYSOHO-UHFFFAOYSA-N 350.466 4.050 0 1 FIAF CC(C)(C)[C@H]1CC[C@@H](C(=O)N2CCCC2)N1C(=O)CCCc1ccccc1 13858415 ZDSWNXZPDJOCDE-VQTJNVASSA-N 370.537 4.037 0 1 FIAF O[C@@H]1c2cccc3cccc(c23)C1(Cc1ccncc1)Cc1ccncc1 27897433 UMIBYDUQSGLTED-HSZRJFAPSA-N 352.437 4.400 0 1 FIAF Cc1ccc(-c2cc(NCCCN3CCOCC3)c3ccccc3n2)cc1 28248208 KMEPZHHDOXXVGN-UHFFFAOYSA-N 361.489 4.344 0 1 FIAF COc1cccc(NCc2nc3c(sc4ccc(Cl)cc43)c(=O)[nH]2)c1 45285567 VJUHULVMBNZKEK-UHFFFAOYSA-N 371.849 4.412 0 1 FIAF COc1cc([C@H](OC)[C@@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O 58522495 GTPIPDMTEBZKCI-HKZYLEAXSA-N 358.434 4.332 0 1 FIAF biogenic CN(C)CC[S@@](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 66075714 FYIWAHGCHKFPFG-QFIPXVFZSA-N 356.318 4.393 0 1 FIAF N[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1 71282073 ZPMICTIIYVCALK-IBGZPJMESA-N 364.832 4.210 0 1 FIAF CCOC(=O)C1=CC[C@@H](c2ccc(OC)cc2)[C@@H]1C(=O)c1ccccc1 95784203 IANHMYHMGXRSMK-ICSRJNTNSA-N 350.414 4.171 0 1 FIAF Cc1cc(O)n2nc(C(F)(F)F)c(-c3ccc(Br)cc3)c2n1 143254555 IJZLSRKRXMIXQZ-UHFFFAOYSA-N 372.144 4.192 0 1 FIAF Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc2ccccc2c1 169325787 SSOBDRLWDQYZPC-UHFFFAOYSA-N 354.413 4.094 0 1 FIAF COc1ccccc1N1CCN(CC[C@@H](N=O)c2cc(C)sc2C)CC1 169717034 NFQFFAWDWCIADK-GOSISDBHSA-N 373.522 4.393 0 1 FIAF Cc1ccc(-c2csc(N(C)S(=O)(=O)c3ccccc3)n2)c(C)c1 207434410 NNTVELUCHFHQLM-UHFFFAOYSA-N 358.488 4.252 0 1 FIAF CCCCCC(=O)O[C@H](CNC(=O)c1ccccc1)c1ccc(OC)cc1 238770310 JRBYHQYMWHSECZ-HXUWFJFHSA-N 369.461 4.290 0 1 FIAF Cc1cncn1CCCn1c(O)c2c3c(sc2nc1=S)C[C@@H](C)CC3 261134731 LUAKJECCCJGMOP-NSHDSACASA-N 374.535 4.253 0 1 FIAF CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccc(F)cc2)n1 299873876 ALBRFTJIVOEFKX-KDOFPFPSSA-N 370.472 4.047 0 1 FIAF Cc1cnc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2c1 586960238 NLRJGCWTJWXWAF-SANMLTNESA-N 361.470 4.305 0 1 FIAF CCCc1sc(=N)[nH]c1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587013347 LMCVYNUFDIADAI-UHFFFAOYSA-N 373.226 4.092 0 1 FIAF CCOC(=O)C[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587108118 VGEFTHMYZBEHGD-CYBMUJFWSA-N 357.409 4.429 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@@H](CC)Oc3ccccc3F)[nH]c2c1 587154268 BARNINCVXXORJN-QGZVFWFLSA-N 356.397 4.338 0 1 FIAF COc1ccc(NC(C)(C)c2nc3ccnc(Br)c3[nH]2)cc1 587201580 SSVODHGXTZROAW-UHFFFAOYSA-N 361.243 4.076 0 1 FIAF O=C(N[C@H](c1ccccc1)c1nc2ccc(F)c(F)c2[nH]1)c1ccccc1 587218146 GGWMJXCULOIGAX-GOSISDBHSA-N 363.367 4.361 0 1 FIAF CC[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357999 PHGUEOQLRLAETN-IRLDBZIGSA-N 370.420 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(F)(F)F)O2 587381401 IDGPIUZQDKCPBL-MRXNPFEDSA-N 351.324 4.225 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)cc(Br)c1)O2 587384425 CYDAUIMFBVEGLN-KRWDZBQOSA-N 364.214 4.359 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(F)cc2CCc2ncccc21 587385569 UANHZCQEESMRTL-QHCPKHFHSA-N 374.415 4.119 0 1 FIAF CC[C@H](C)Oc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587399695 JGRLESHBKQATGA-ORAYPTAESA-N 355.434 4.470 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)ncc4ccccc14)[C@@H](C2)C3=O 587418939 FHXOVKWDLKLGHR-LIRRHRJNSA-N 351.789 4.386 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cncc(Br)c1)CC2=O 587461106 WQBMXPWKDWANEA-MRXNPFEDSA-N 362.223 4.209 0 1 FIAF CCN(CC)CCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569615 GVHLDQBRXGGFKB-DENIHFKCSA-N 369.461 4.235 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3nccc-3c2)N1 587801410 GAMHQIWRQAPOFP-XXFAHNHDSA-N 360.230 4.040 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3[nH]2)N1 587806111 URXHMHMCWMWYDA-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF COc1ccccc1CC(=O)c1nc2cc(Br)c(C)cc2[nH]1 587931306 SAJORDNISWKDDY-UHFFFAOYSA-N 359.223 4.068 0 1 FIAF COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccncc2)cc1 653731194 DVJDNDRDULERKG-NRFANRHFSA-N 357.413 4.082 0 1 FIAF Fc1cccc2c1[C@@]1(c3ccccc3CC13CCOCC3)N1CCC[C@@H]1C2 963100660 CHDHPHQHEHOQRE-NTKDMRAZSA-N 363.476 4.443 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2O)cc1 1772628795 KDMJBLUICZFCNN-FGZHOGPDSA-N 362.404 4.161 0 1 FIAF CC(C)c1ccc(CNC(=O)c2ccn(Cc3ccc(F)c(F)c3)n2)cc1 1857763089 JVFXQNGSFMKFTG-UHFFFAOYSA-N 369.415 4.263 0 1 FIAF C[C@]1(C(=O)NC2CCCCCC2)CCC(=O)N1Cc1ccccc1Cl 3587668 NEKQHLXWPLDFAI-HXUWFJFHSA-N 362.901 4.060 0 1 FIAF CCOC(=O)c1ccc2c(c1)nc1n2[C@H](c2c(F)cccc2F)SC1 5544156 NBHGQRPGXCMAGM-KRWDZBQOSA-N 360.385 4.285 0 1 FIAF CCN[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 13902866 JVUYQHDSVZWYKP-QHCPKHFHSA-N 351.859 4.232 0 1 FIAF CC(=O)c1cccc(NC(=O)NN2CCCC[C@@H]2Cc2ccc(F)cc2)c1 28112344 SOEZEWJTMGDYDZ-HXUWFJFHSA-N 369.440 4.162 0 1 FIAF CCCCCCc1c(C(=O)OC)cn(Cc2ccccc2)c1CC(=O)OC 28471805 SZFFLFKNTYFPNP-UHFFFAOYSA-N 371.477 4.161 0 1 FIAF C[C@@H](Cc1ccc2oc(=O)oc2c1)[C@H](C)Cc1ccc2oc(=O)oc2c1 42921999 ZDJMWUXXZFFQGO-TXEJJXNPSA-N 354.358 4.143 0 1 FIAF Nc1nccc(Nc2cc(-c3ccc4ccccc4c3)c3[nH]ncc3c2)n1 45337612 QFBSSUZRFADVOK-UHFFFAOYSA-N 352.401 4.499 0 1 FIAF C=Cc1ccc(C2=CN3C(=O)c4cc(OC)c(OC)cc4N=C[C@@H]3C2)cc1 49808593 IATWQBUJNCJOOY-KRWDZBQOSA-N 360.413 4.318 0 1 FIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccc(Cl)cc3)ccc12 96905960 SNLIKRRTMQMPEV-LJQANCHMSA-N 370.861 4.269 0 1 FIAF CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccs1 100909339 LZUOWUYBFWNJBN-ZQDKMGAMSA-N 360.523 4.139 0 1 FIAF N=c1c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2[nH]c(=S)n1N 169313061 QUSPYNPIQPMIGC-UHFFFAOYSA-N 367.865 4.003 0 1 FIAF O=C(N[C@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 169351368 KCYOCCOLGUUYQZ-RTWAWAEBSA-N 365.452 4.138 0 1 FIAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 201110873 WMCLAHJLCTWGGR-KXOHGDPDSA-N 351.490 4.045 0 1 FIAF CN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1)C(C)(C)C 205439047 CFORRWSIPRDYIG-UHFFFAOYSA-N 353.397 4.369 0 1 FIAF COc1c(CC=C(C)C)cc(/C=C/C(=O)O)cc1C/C=C(\C)COC(C)=O 238781836 FXYBEMLBGFMRJR-OETHFMPKSA-N 372.461 4.354 0 1 FIAF COc1ccc(-c2ccc(CNc3cccc(C(N)=O)c3)o2)cc1Cl 473122510 SRVTYTBFGQKDGS-UHFFFAOYSA-N 356.809 4.320 0 1 FIAF S=C(Nc1ccccc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 504314326 KVDDNZXYTULNOJ-JYAXBFRTSA-N 367.562 4.278 0 1 FIAF biogenic COC(=O)[C@@H]1CCCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587106609 JXZUDRPVMVXAAD-CYBMUJFWSA-N 357.409 4.114 0 1 FIAF Cc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Cl 587132179 LYWHSCKDPLHJMT-JTQLQIEISA-N 371.815 4.494 0 1 FIAF Cc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587334013 DKEFJYYGRIPRKF-NQIIRXRSSA-N 367.376 4.410 0 1 FIAF COCC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350847 SJFXSWQHYIDHMS-TZIWHRDSSA-N 358.409 4.322 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)ccc1OC)[C@@H](C2)C3=O 587445133 XGABWVJOFQRYMS-HRAATJIYSA-N 352.430 4.490 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1C[C@@H]1CCCO1)CC2=O 587471522 SONPKFUDWYXZQI-XOBRGWDASA-N 355.434 4.032 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](/C=C(/C)N(C)C)(c1nccs1)CC2=O 587492519 ALXSXBZDLMINHC-DDNJPHGJSA-N 372.490 4.127 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(CCC(=O)O)c1)CC2=O 587492953 ZPRWBWMSLOHBJZ-LJQANCHMSA-N 354.402 4.068 0 1 FIAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508262 AGUYAMWDLWMZFV-IQMFZBJNSA-N 365.473 4.043 0 1 FIAF Cn1ccnc1[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515128 JMLDSGGPDFQEBQ-ZHRRBRCNSA-N 350.462 4.361 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1Cl 587546990 RQYKRJQKFXFLSF-YLJYHZDGSA-N 368.772 4.454 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nccnc12 587588111 RWJGJZGBNPQLMU-PGRDOPGGSA-N 370.364 4.038 0 1 FIAF C[C@]1(C2CCSCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620382 YSANCZODZPJFMF-YLJYHZDGSA-N 356.443 4.256 0 1 FIAF O=C(c1ccccc1F)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587639156 WQJMQFYHGJDBHM-UHFFFAOYSA-N 351.255 4.255 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2N)N1 587694955 IOLCMEALNPPXIN-ZKANADHPSA-N 369.665 4.447 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cncc(F)c2)N1 587737098 YEBYEBZDAVIGLJ-ZUZCIYMTSA-N 367.237 4.330 0 1 FIAF CCC[C@]1(CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587800235 WERPVHVORCKCHG-PIGZYNQJSA-N 372.278 4.071 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccccc32)N1 587833103 FNWZOYIUFMAMLA-ADLMAVQZSA-N 362.242 4.149 0 1 FIAF CO[C@H](c1cncs1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587857307 ZOMUAZGLCADSQA-UKXDHYTESA-N 371.275 4.008 0 1 FIAF COc1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cc1Cl 587952350 PIPDPGRYVUNQMR-PNESKVBLSA-N 352.862 4.303 0 1 FIAF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)c(Cl)c3)O2)cc1 653716255 GNAXXKZHMNVGSE-QGZVFWFLSA-N 365.216 4.241 0 1 FIAF CCOC(=O)[C@H](COC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 653737714 GVYQRFCHUWGPRU-MRXNPFEDSA-N 366.335 4.209 0 1 FIAF CC(=O)C12CC([C@@]3(C)c4cccc(F)c4CCN3[C@@H]3CCSC3)(C1)C2 962694452 DLHRVXHOMLWNPH-QKSWXPKTSA-N 359.510 4.164 0 1 FIAF Cc1cc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(F)cc1F 962730358 NKGWXJMBRAWPIV-HOTGVXAUSA-N 355.306 4.008 0 1 FIAF COc1cccc2cc3c(nc12)[C@@H](C1CC(C)(C)OC(C)(C)C1)NCC3 963044928 FKAJXEIRHSQQDK-LJQANCHMSA-N 354.494 4.414 0 1 FIAF OC[C@]1(c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963113752 ZSYFJZCRUPOYFT-KXBFYZLASA-N 366.263 4.389 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cc2ccc(C)cc2nc1O 963268989 CSILGVRVMOLSFB-LJQANCHMSA-N 354.837 4.146 0 1 FIAF CN1CCc2c(Br)cccc2[C@H]1c1ccc(Cc2ccc[nH]2)[nH]1 963272312 ZORQMEUOKUBKBL-IBGZPJMESA-N 370.294 4.273 0 1 FIAF C=CC(=C[C@]1(C)CCCC(C)(C)C1)[C@H]1[C@H]2OC(=O)C[C@H]1[C@@H](OC(C)=O)O2 2356466454 GXSYTMVMFKTOPV-DBCWFSNCSA-N 362.466 4.130 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@@]2(CO)[C@H]3CCc4cocc4[C@@]3(C)CC[C@H]12 2356765945 ZUNPKKNJINJWLQ-CTWRKMMKSA-N 360.494 4.242 0 1 FIAF O=C(CCCC[S@](=O)Cc1ccccc1)c1ncc(-c2ccccn2)o1 14980058 YBEUSUFDLFUBLN-AREMUKBSSA-N 368.458 4.039 0 1 FIAF C=C[C@](C)(O)CC[C@]1(C)C2=C([C@H](O)[C@H](OC(C)=O)[C@H]1C)C(C)(C)CCC2 15266498 XKQBKQUOQCQQBX-ZCQPYHSOSA-N 364.526 4.159 0 1 FIAF biogenic C[C@@H](CCc1nnn[nH]1)Cc1cccc(OCc2ccc3ccccc3n2)c1 26722037 GABZVHZCIWHURT-INIZCTEOSA-N 373.460 4.138 0 1 FIAF Cc1csc2nc([C@H](C)NC(=O)/C=C/c3cccc(Cl)c3)oc(=O)c12 27520563 XMZZUCYPEIYYRF-MLRMMBSGSA-N 374.849 4.102 0 1 FIAF Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCCCC(=O)O 28639389 GPRPYPPUVSEYOV-UHFFFAOYSA-N 368.260 4.309 0 1 FIAF CC(=O)OC/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(CO)[C@@H]2CC[C@@]1(C)O 34444460 SUHBMXFJOWKXEV-XWBXJPFHSA-N 366.542 4.242 0 1 FIAF O=C1C[C@@H]2c3ccccc3O[C@H]3c4ccc(O)cc4-c4c(O)cc(O)c1c4[C@@H]23 43123268 QPKCEEFQPFTYIX-ZTWLPKFNSA-N 372.376 4.371 0 1 FIAF biogenic O=C(Nc1ccc(Cl)cc1)N1CCC[C@](CCO)(c2ccccc2)C1 49111521 RIFYAWGYIHDAHH-HXUWFJFHSA-N 358.869 4.288 0 1 FIAF COc1cc(F)ccc1Oc1c(Cl)cnn(-c2ccc(C)cc2)c1=O 66129637 RWSNGSWAGKETFU-UHFFFAOYSA-N 360.772 4.134 0 1 FIAF NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(F)cc2)c1 95575940 QAARKCUKBZCZML-UHFFFAOYSA-N 350.393 4.290 0 1 FIAF CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cnn(C)c4)cc23)CC1 95584157 XMBPANCBBSXJPB-UHFFFAOYSA-N 371.488 4.235 0 1 FIAF COc1ccc2c(=O)c(/C=C/C(=O)Nc3ccccc3Cl)coc2c1 95590693 AIQUNDYUXIAZAV-RMKNXTFCSA-N 355.777 4.107 0 1 FIAF CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1c1ccc(-c2ccccc2F)cc1 96248458 GYFKLQQEFVYNDD-DENIHFKCSA-N 366.480 4.498 0 1 FIAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@@H]2CC[C@@H]1N2C 169359115 HIFPRIPRHSYXGH-JSXRDJHFSA-N 366.505 4.130 0 1 FIAF O=Nc1c([C@@H]2C(=O)Nc3ccccc32)[nH]c2cc(Br)ccc12 169685093 VIFBPOGUAJNLQM-CYBMUJFWSA-N 356.179 4.412 0 1 FIAF O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1/C=C/[C@@H](O)C1CCCCC1 253695646 CEHGUSRXHYTTPN-HNRPZRDMSA-N 362.510 4.479 0 1 FIAF Cc1c(Br)ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 586907554 MMRXSYASBDWLEM-SNVBAGLBSA-N 359.223 4.215 0 1 FIAF COc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587030087 XBBQUCLNWJFISS-UHFFFAOYSA-N 361.430 4.093 0 1 FIAF Fc1c(F)c(F)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1F 587075562 FETCGTYWWDQOPU-SECBINFHSA-N 369.705 4.390 0 1 FIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cnc4ccccc4c3[nH]2)C(F)(F)C1 587132109 KBWJFLDQIPJWPS-LBPRGKRZSA-N 374.391 4.081 0 1 FIAF COc1cc(C)c(N)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 587250006 QYJWRWUPHGMFOE-UHFFFAOYSA-N 350.191 4.031 0 1 FIAF C[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332912 GLLHVJYBNFAGPC-IRLDBZIGSA-N 363.388 4.388 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2n[nH]c3cccc1c23 587395986 HUCLCICEWDYJTD-QHCPKHFHSA-N 367.408 4.343 0 1 FIAF CCCOc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1 587412104 LYBUPYITBIQUHM-OAQYLSRUSA-N 353.418 4.009 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)O)c(F)c1)CC2=O 587468005 VVUACCIOOBLPMZ-FQEVSTJZSA-N 358.365 4.063 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCOC)CC2=O 587483684 RPMGYRBXMDWNHE-FQEVSTJZSA-N 356.418 4.076 0 1 FIAF O=C1C[C@@H](c2ccnn2[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 587517288 KJOFQNUPXGVWEH-PMACEKPBSA-N 352.434 4.168 0 1 FIAF CCOC(=O)[C@H]1CC[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587520744 BCDFNQHFBUJWNO-FTRWYGJKSA-N 356.462 4.269 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Cl)c2F)N1 587725621 FPQHZPFTSWXQTC-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 587938592 XTMZQSMLJIJCOS-HWPZZCPQSA-N 350.340 4.427 0 1 FIAF CO[C@H](C)COC1CCC(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 587952558 TVGCCYJWQAJQIP-VOMCLLRMSA-N 357.376 4.054 0 1 FIAF COc1ccccc1-c1nnc(-c2sc(-c3cccnc3)nc2C)o1 653883001 DKHIXFMHRGJIQH-UHFFFAOYSA-N 350.403 4.239 0 1 FIAF Cc1c(F)ccc2c1[C@H](c1ccc(CNC(=O)OC(C)(C)C)cc1)NCC2 962095792 XJCKNQXJRMPVNY-FQEVSTJZSA-N 370.468 4.394 0 1 FIAF Cc1ccc([C@]2(CCc3ccccc3)c3nn(C)cc3CCN2C)cc1C 963953978 FAJFSBJRBFMLKM-XMMPIXPASA-N 359.517 4.401 0 1 FIAF O=C(O)c1ccn(Cc2cc(Cl)cc3cc(-c4ccccc4)nn23)c1 1772570949 QPDZIPBHOGIEFE-UHFFFAOYSA-N 351.793 4.203 0 1 FIAF O=C(Nc1ccc2n[nH]cc2c1)c1csc(Nc2ccc3[nH]ccc3c2)n1 1857566415 OUDAJAMDOFIMLR-UHFFFAOYSA-N 374.429 4.497 0 1 FIAF COCCOc1cccc(Cn2c3cc(N)ccc3c3ccc(N)cc32)c1 2382227961 FBKWXGBEJHUCLH-UHFFFAOYSA-N 361.445 4.032 0 1 FIAF Oc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1 3815082 BUGPWXMPCMTLIX-UHFFFAOYSA-N 352.785 4.199 0 1 FIAF CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 3895856 XUNAEGXHIVURLG-NPFFOCMASA-N 364.574 4.285 0 1 FIAF Cc1nc2cccnc2n1-c1ccc(CC(=O)NC2CCCCCC2)cc1 6900762 WHQVXWRLQGEPLD-UHFFFAOYSA-N 362.477 4.110 0 1 FIAF Cc1c(Cl)cccc1NCc1cc(O)n2nc(-c3ccccc3)nc2n1 14608990 DKVCBQCGLQPYMI-UHFFFAOYSA-N 365.824 4.071 0 1 FIAF CC(=O)Nc1ccc(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)cc1 16474813 ZJVHVRJRYKNARK-QGZVFWFLSA-N 364.489 4.171 0 1 FIAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC)CN(C)[C@H]1C2 29488819 BOMVRTMBCWESTQ-ZTNFWEORSA-N 354.494 4.135 0 1 FIAF COc1cccc2c1C[C@H](N(C)CCCc1c[nH]c3ccc(F)cc13)CO2 34801029 DVPDEYGRKNNDDO-KRWDZBQOSA-N 368.452 4.184 0 1 FIAF c1ccc(Nc2c3ccccc3nc3sc(N4CCOCC4)nc23)cc1 40828057 YEVIRZGFRQHRLU-UHFFFAOYSA-N 362.458 4.425 0 1 FIAF CCOC(=O)c1cc(-c2cccc(OCc3cc(F)cc(F)c3)c2)on1 45291013 UAGQHCHIAOSCOI-UHFFFAOYSA-N 359.328 4.376 0 1 FIAF COCCCN(CCC1CCCCC1)C(=O)NCCCc1ccncc1 58608295 MZYXASBFLBFBKH-UHFFFAOYSA-N 361.530 4.033 0 1 FIAF COc1cccc(-c2nn(Cc3nnc(C(F)(F)F)o3)c3ccccc23)c1 95755527 SZNQRWZOZUPGHZ-UHFFFAOYSA-N 374.322 4.162 0 1 FIAF C[C@H]1CCCCN1CCCn1cnc2c3cc(Cl)ccc3nc-2c1O 103904020 NKLNSUVZHOPJEO-ZDUSSCGKSA-N 358.873 4.160 0 1 FIAF CO[C@H]1O[C@@H](OC)C2=C1[C@H]([C@H](C)CCC=C(C)C)[C@H](O)C[C@@H](C)[C@@H]1C[C@H]21 140723999 DATTZPFKKNYKHD-CVVNDDPXSA-N 364.526 4.294 0 1 FIAF Cc1cc(Cl)cc(Cl)c1CC(=O)N[C@H]1COc2nc(Cl)ccc21 146655445 NRXFIFZOVLFHGU-ZDUSSCGKSA-N 371.651 4.143 0 1 FIAF CCCCN1CCN(Cc2ccc(-c3ccccc3)cc2)[C@@H](CCO)C1 169310665 ZKZLXHOTVZCCSW-QHCPKHFHSA-N 352.522 4.022 0 1 FIAF COc1cc([C@@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O 238749989 KBIHHHDCLJQNHG-QRSJPUFVSA-N 374.433 4.208 0 1 FIAF endogenous,in-man Oc1ccc(C2(c3nc4c(Cl)c(Br)cnc4[nH]3)CC2)cc1 586896017 FYNVWJSQQRHAEQ-UHFFFAOYSA-N 364.630 4.159 0 1 FIAF CCOC(=O)Cc1c(C2CC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989470 KFHMBGOPPFWWMT-UHFFFAOYSA-N 373.408 4.135 0 1 FIAF Cc1c(Br)cnc2[nH]c(-c3cncc(C(F)(F)F)c3)nc12 587115006 CUJBVJFAVUTRIS-UHFFFAOYSA-N 357.133 4.110 0 1 FIAF Fc1ccc(-c2cn3c(Cc4nc5cc(F)cnc5[nH]4)csc3n2)cc1 587165988 KDLBDJQDNAFJRD-UHFFFAOYSA-N 367.384 4.203 0 1 FIAF CCc1ccccc1NC(=O)c1nc2c(F)cc(Br)cc2[nH]1 587241579 XHHAKUFAQGPPCG-UHFFFAOYSA-N 362.202 4.279 0 1 FIAF N=c1ncc(-c2cccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)c[nH]1 587255125 YRXOWCVLKJYZAK-UHFFFAOYSA-N 357.751 4.031 0 1 FIAF C[C@@]1(Cc2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334489 FFTNUVZBCPAGSV-UNMCSNQZSA-N 363.388 4.287 0 1 FIAF CCC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)COC1 587361476 YWEHCDGUBCVJHA-QUCCMNQESA-N 356.393 4.076 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cc(O)cc1Cl)[C@@H](C2)C3=O 587418713 AQYAYVVHFBCACY-DYZYQPBXSA-N 351.185 4.196 0 1 FIAF COc1ccc(-c2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2)cc1 587436993 WZZWULCZGOJEOE-HXOBKFHXSA-N 373.408 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1cccnc1)[C@@H](C2)C3=O 587437035 VQOHUIABLNDGFE-JTSKRJEESA-N 359.381 4.371 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2nc(O)ccc21 587491044 RDNJIKQAJSKHNK-QFIPXVFZSA-N 367.445 4.278 0 1 FIAF COc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)C)nn1C 587516452 SVLBMRNIPHJVHK-QGZVFWFLSA-N 354.450 4.137 0 1 FIAF O=C(c1ccc2c(c1)OCO2)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587634216 UTFFYKUNUGKLHD-UHFFFAOYSA-N 351.255 4.286 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(F)cc2Cl)N1 587736802 XASPMZMTVSXPTP-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF CCn1cccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587754739 MLBBGJYHJBMGRZ-DIFFPNOSSA-N 351.263 4.207 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2cnn3C)N1 587760964 RKBVHYFIKIRYGH-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF O=C(O)/C(=C/c1ccccc1O)c1nc(-c2ccc(F)c(F)c2)cs1 587922752 ZQBAFJLKTWCHJK-KPKJPENVSA-N 359.353 4.419 0 1 FIAF O=C(Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1)c1ccccc1 653876539 BHASFWDDVLVSNA-UHFFFAOYSA-N 367.792 4.460 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961618184 XTEBMTIJPVPTMJ-HNAYVOBHSA-N 362.311 4.492 0 1 FIAF COc1cccc2cc3c(nc12)[C@H](c1cnc2c(F)cc(C)cc2c1)NCC3 963036962 QHHWUSDBRWLUPG-QFIPXVFZSA-N 373.431 4.474 0 1 FIAF NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(F)c(Cl)c1 1772579881 SKZRCZGGEGTKBX-UHFFFAOYSA-N 361.631 4.391 0 1 FIAF CCN(CC)c1ccc(NC(=O)c2c(-c3cc(C)on3)noc2C)cc1 1857557570 YLSLRCZRMYUIJM-UHFFFAOYSA-N 354.410 4.045 0 1 FIAF Cc1cc(-c2cnc3ccn(CC(=O)N4CCCCC4)c3c2)ccc1F 1857617535 ANLDZCKRYVHYMM-UHFFFAOYSA-N 351.425 4.163 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2[C@](C)(CO)C[C@@H](O)C[C@]12C 2356461879 WZZRZMFFZNXNGP-CSEOROSGSA-N 364.526 4.018 0 1 FIAF Cc1ccc(OCc2cn(Cc3cc4ccccc4nc3Cl)nn2)cc1 2382227380 IUAHINPDIJXDPS-UHFFFAOYSA-N 364.836 4.415 0 1 FIAF C[C@@H](CCc1ccccc1)NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1 4928525 SZGSUDJBWBTZNU-AWEZNQCLSA-N 369.852 4.065 0 3 FIAF CC[C@]1(C)Cc2nc3nc(=S)n(-c4ccccc4C)c(O)c3cc2CO1 5575041 FRGXMPGJGZFAFB-HXUWFJFHSA-N 367.474 4.405 0 3 FIAF Cc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1Br 199270606 GINOYGZQTITJPA-ZDUSSCGKSA-N 369.303 4.203 0 3 FIAF COC(=O)c1ccc(C)cc1[C@@H]1CN=N[C@@]12Cc1cc(C)c(C)cc1C2=O 5539624 LPLOCPUBJLVZSY-UGKGYDQZSA-N 362.429 4.126 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1ccccc1C(F)(F)F 19597060 HGABDBVYERTULD-WSTOHFRZSA-N 369.339 4.127 0 1 FIAF C[C@H](C(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26394180 GQECVTUOELTXTC-RSTBVRNBSA-N 359.510 4.312 0 1 FIAF CCOC(=O)c1oc2cc(-c3ccc(OC)c(OC)c3)cc(O)c2c1C 28371541 BOVYVUPSWDALFT-UHFFFAOYSA-N 356.374 4.308 0 1 FIAF O=C(N/C(=C\c1ccccc1)[C@H]1Nc2ccccc2C(=O)O1)c1ccccc1 31871907 FARCUHZSYPQOOV-BARSGRSVSA-N 370.408 4.066 0 1 FIAF CNc1nc(N)nc2nc(-c3c(SC)cccc3C(F)(F)F)ccc12 34843520 HVQTXUUOMXQYKD-UHFFFAOYSA-N 365.384 4.056 0 1 FIAF CC(C)c1noc(CC(C)(C)CC(=O)NC2C3CC4CC(C3)CC2C4)n1 43025746 GPYRSWYSAFNOKE-UHFFFAOYSA-N 359.514 4.093 0 1 FIAF O=S(=O)(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 49110319 XLNXEIMQNXKDGM-UHFFFAOYSA-N 363.910 4.170 0 1 FIAF COc1ccc(Oc2cc(NC[C@@H]3CCCO3)ncn2)c2ccccc12 82067874 BEXSOQGZKPUWJX-AWEZNQCLSA-N 351.406 4.022 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCCO 100060228 PTIUXNGGNGQHQK-KTEVXADTSA-N 366.498 4.133 0 1 FIAF in-vitro CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(F)cc1 104056547 TZICZSCNRWLMFX-CYBMUJFWSA-N 357.410 4.257 0 1 FIAF CCCC[C@](C)(O)C1=CC[C@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@@H]3C1 169334644 LJTJQLDGHOLLEZ-ZJZGAYNASA-N 369.549 4.471 0 1 FIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCC4CCCCC4)ncc23)ccn1 261094958 FEOBPWXXJIJOOL-UHFFFAOYSA-N 364.453 4.030 0 1 FIAF CC(C)(C)OC(=O)Nc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 473155005 NVGKTBWKALOVPL-UHFFFAOYSA-N 353.378 4.456 0 1 FIAF Cn1cc(-c2nc3cc(Br)c(F)cc3[nH]2)c(C(F)(F)F)c1 587111334 FBMBWTHBEWPPKZ-UHFFFAOYSA-N 362.124 4.489 0 1 FIAF CC[C@@H](Oc1ccccc1F)c1nc2cncc(Br)c2[nH]1 587155035 IMJQEBBDENRJER-GFCCVEGCSA-N 350.191 4.390 0 1 FIAF Fc1cccc([C@@H]2C[C@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587161867 SAXRPNFXXGTLAS-DTWKUNHWSA-N 356.710 4.387 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](CCc1cccc(F)c1OC)CC2=O 587466211 MKWMOPJRAKEOOQ-CQSZACIVSA-N 358.409 4.459 0 1 FIAF C[C@@]1(C(F)(F)C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543579 CMVNZWWXMSMWBB-MLGOLLRUSA-N 356.271 4.013 0 1 FIAF Cc1cc(Br)c2[nH]c(CCOc3ccc(C=O)cc3)nc2c1 587566477 ODPDQERRAQSBEF-UHFFFAOYSA-N 359.223 4.068 0 1 FIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587590481 CBIAYNZKBFVOTE-UGKGYDQZSA-N 362.381 4.412 0 1 FIAF C[C@]1(C[C@H]2CCCCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604679 VGMJMGYRPXUXNX-JSVDNDDVSA-N 366.413 4.262 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1ccc(O)cc12 587608285 KUJMLZFQSCWARZ-REWPJTCUSA-N 374.392 4.291 0 1 FIAF COc1ccc(F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587735585 XYOLFGFFDUOHGJ-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3[nH]ncc23)N1 587791647 GRLIEZOHDMOXHO-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF CCOC1=C[C@@]2(CCC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587802679 TWCAPGBNMPIYIB-APPDUMDISA-N 354.263 4.422 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3C[C@H]2CCC3=O)N1 587826068 GHLMVQVUCIZPMY-DWSVRVFQSA-N 366.274 4.097 0 1 FIAF Fc1ccc2c(c1)-c1cc(n(-c3ncccc3-c3nc(C4CC4)no3)n1)O2 587875513 PSSBWTKHSYFWPM-UHFFFAOYSA-N 361.336 4.107 0 1 FIAF COc1ccc(CCCc2nc3cc(OC)c(Cl)cc3[nH]2)c(OC)c1 587929590 XWBYECRBQWMKBP-UHFFFAOYSA-N 360.841 4.417 0 1 FIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587937889 QVOQBSMXSXSUFX-QLJPJBMISA-N 350.340 4.427 0 1 FIAF O=C([C@H]1Cc2ccccc2[C@H](COc2ccc(Cl)cc2)N1)C(F)(F)F 962731016 PYZZSGINAKCIMU-CVEARBPZSA-N 369.770 4.106 0 1 FIAF c1cncc(CN2CCc3sccc3[C@@H]2c2cccc(-c3ncon3)c2)c1 962993544 CFXVWRMFOWBXAJ-FQEVSTJZSA-N 374.469 4.341 0 1 FIAF O=C(c1ccccc1)N1CCc2cc3[nH]c(-c4ccccc4)cc(=O)c3cc21 1772590450 JACDTHQCWMOKPD-UHFFFAOYSA-N 366.420 4.398 0 1 FIAF COc1cc([C@@H](C)c2ccc(OC(F)F)c(N)c2)cc(OC)c1OC 1857746245 BYFHLGYDURIZCG-JTQLQIEISA-N 353.365 4.048 0 1 FIAF CCO[C@H]1OC(=O)C(Br)=C1Nc1ccc(-c2ccccc2)cc1 1857761438 ZTBMNAGWCNWRLG-SFHVURJKSA-N 374.234 4.291 0 1 FIAF C=CC(=C[C@]1(C)CCCC(C)(C)C1)[C@@H]1[C@H]2OC(=O)C[C@H]1[C@@H](OC(C)=O)O2 2356466456 GXSYTMVMFKTOPV-KQGMHSTHSA-N 362.466 4.130 0 1 FIAF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)O)[C@@H]2CC[C@H](C)C[C@H]2C(=O)[C@]1(C)O 2356718796 GVNQXZBVWDAWQB-FNLOFSMCSA-N 360.494 4.158 0 1 FIAF CN(Cc1ccccc1)C(=O)c1ccc(Cc2cn(C)c3ccccc23)nc1 61906643 IEFUKBSPDHGRTH-UHFFFAOYSA-N 369.468 4.436 0 3 FIAF CCc1ccccc1NC(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)C(C)(C)C)C2 100445260 CYEITZUQXDFFOX-ROUUACIJSA-N 371.525 4.329 0 3 FIAF COc1c2c(c(OC)c3occc13)O[C@H](c1ccccc1)[C@@H](OC)[C@H]2OC 15045233 DUBHYVXCUVFSJU-MOXGXCLJSA-N 370.401 4.286 0 1 FIAF biogenic CCCCCn1cc(C(=O)c2ccc3c(c2)COC3)c(=O)c2ccccc21 28864843 YZISPPUCYKTSHG-UHFFFAOYSA-N 361.441 4.453 0 1 FIAF COc1cc(Nc2cncc(Oc3ccccc3F)n2)cc(OC)c1OC 40410367 QPULUYAQAKHWEV-UHFFFAOYSA-N 371.368 4.177 0 1 FIAF CCNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2 49113044 WLMHEEAQWORBBU-IBGZPJMESA-N 363.461 4.006 0 1 FIAF Oc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)c[nH]c3n2)cc1 73141294 VFFKOUSSVDBQAF-UHFFFAOYSA-N 370.456 4.012 0 1 FIAF O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 101023309 QYKWQRAFIZLFAO-RTBURBONSA-N 373.855 4.176 0 1 FIAF CC(C)Cn1cc(-c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)nn1 166291853 YCKYVFUWVCQTAG-UHFFFAOYSA-N 361.449 4.149 0 1 FIAF Brc1cncnc1C1=CC=C(C2=CC=CCS2)SC1 169327625 IIJFNNGSTSGDHS-UHFFFAOYSA-N 351.294 4.440 0 1 FIAF CN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1)C1CCC1 205438907 PIGGCTHZBRMRJA-UHFFFAOYSA-N 351.381 4.123 0 1 FIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1 205941092 RYAJWUMIAAGCTR-UHFFFAOYSA-N 359.307 4.295 0 1 FIAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1C[C@@H](C(C)C)C(=O)C3 216984780 UASZQZJXTOBNEL-FMRHZRETSA-N 367.533 4.225 0 1 FIAF COc1cc(CCc2ccccc2O)cc(O)c1Cc1ccc(O)cc1 238786263 PCGLVJXCQLFHFN-UHFFFAOYSA-N 350.414 4.188 0 1 FIAF COc1ccc(OC)c(-c2nnc(NCc3ccc(Cl)cc3)s2)c1 299856008 BLVDBAJCEFKNLK-UHFFFAOYSA-N 361.854 4.488 0 1 FIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc3ncccc3c2[nH]1 587080867 UIYCFUODRVRGPY-OAHLLOKOSA-N 361.836 4.488 0 1 FIAF CC(C)CCOc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Br 587126239 VZVABRGQIFOYQP-OTYXRUKQSA-N 358.255 4.108 0 1 FIAF C[C@@H](Oc1ccc(F)cc1)c1nc2c(F)cnc(Br)c2[nH]1 587168273 DVLKKNLUJVXBIN-SSDOTTSWSA-N 354.154 4.139 0 1 FIAF Cc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1C 587196657 AQYPZKYDWWTFLA-OAHLLOKOSA-N 359.470 4.096 0 1 FIAF C[C@]1(c2cccc(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338050 QKASBPYZLVYXNG-RBBKRZOGSA-N 363.388 4.388 0 1 FIAF C[C@]1(C[C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358066 PICNYKJCYBOCKF-DRWCTHJISA-N 356.393 4.076 0 1 FIAF COc1ccc2ccc(OC)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587401355 WTDPDKKJLGOGGA-FQEVSTJZSA-N 363.413 4.454 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(C)o1)CC2=O 587481916 IZDNKMMVZWDJQZ-SFHVURJKSA-N 352.390 4.343 0 1 FIAF C[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C 587517498 OGXCXQYWWUAADA-RCDICMHDSA-N 371.477 4.299 0 1 FIAF CCc1ccc2c(c1)[C@@]1(CC(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587531104 IIIOCPGSARKAIQ-QHCPKHFHSA-N 362.425 4.298 0 1 FIAF O=Cc1sc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572539 VVDIAOOPSNTYGT-APWZRJJASA-N 370.357 4.108 0 1 FIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601506 SLINQJGXOBROIK-DENIHFKCSA-N 362.381 4.278 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccccc2)N1 587797811 XGRWHHZEPUZPDF-XIKOKIGWSA-N 364.258 4.417 0 1 FIAF CCO[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587811192 NJGFVRNOILHEMQ-SSKCKEOISA-N 356.279 4.297 0 1 FIAF CC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587844844 BZXLCBUOZHQLAB-VPTHRUTESA-N 368.271 4.476 0 1 FIAF NCCCCCCc1ccnc(SCc2nc3ccccc3s2)n1 653788973 NTNNGSLADUCOFJ-UHFFFAOYSA-N 358.536 4.440 0 1 FIAF CN(C)c1ccccc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962716812 WGLBXHDBQDEKKV-VFNWGFHPSA-N 356.510 4.345 0 1 FIAF Cc1ccc([C@@]2(C)NCCc3c2c(C(C)C)nn3C)c(F)c1C(F)(F)F 962911038 OBGBGIJAQURNTH-GOSISDBHSA-N 369.406 4.419 0 1 FIAF CCOC(=O)CCC[C@]1(c2cc(C)ccc2C)NCCc2ccc(O)cc21 963354377 XCQSCPNMVZMDNS-HSZRJFAPSA-N 367.489 4.132 0 1 FIAF COc1ccc(-c2[nH]c3ccccc3c(=O)c2C(=O)c2ccccc2)cc1 1772633795 BIZIJSANLGGHDV-UHFFFAOYSA-N 355.393 4.435 0 1 FIAF C[C@]12CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1CCC1=C2Cc2c([nH]c3ccccc23)C1 2356341535 QYWNSXINTFHPNN-IRMYBRCSSA-N 365.473 4.225 0 1 FIAF CCc1nc(C)cn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651140 MHOAPVUFAWZGPR-FQEVSTJZSA-N 360.457 4.056 0 1 FIAF CCc1ccc(-n2cnc3c(sc4nccc(NC5CC5)c43)c2=O)cc1 13676175 KZZRMKCDXGJHJT-UHFFFAOYSA-N 362.458 4.132 0 1 FIAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](CN)Cc4ccccc4)c3)cc12 63298262 GHPFQRTVUDXWCC-GOSISDBHSA-N 372.472 4.130 0 1 FIAF CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)CC(=O)CO)cc2)cn1 96167512 QXUDEQMPZXASOT-INIZCTEOSA-N 357.450 4.181 0 1 FIAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccs1 96922460 GYMBYNUNONBMHS-WMZOPIPTSA-N 369.534 4.372 0 1 FIAF O=S(=O)(Nc1cccc2ncccc12)c1ccc2[nH]c3ccncc3c2c1 102328226 UHIJOOAMRRVCOP-UHFFFAOYSA-N 374.425 4.065 0 1 FIAF CCc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1Br 586977986 UXGGQBJMLQZEAM-UHFFFAOYSA-N 359.223 4.326 0 1 FIAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(Br)o4)nc3c2)cc1N 587007490 ZJIBDQZCSIPJBW-UHFFFAOYSA-N 369.222 4.417 0 1 FIAF Clc1ccc(-c2nnc(CCc3nc4ccnc(Cl)c4[nH]3)o2)cc1 587076163 JZMWTNQNCBHOSD-UHFFFAOYSA-N 360.204 4.100 0 1 FIAF COC(=O)[C@H]1CCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O 587107780 VZGQPPPUBMNTJP-CYBMUJFWSA-N 357.409 4.114 0 1 FIAF CCCCc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)cc1 587365060 AJRPFXMOIFEGDI-UHFFFAOYSA-N 374.238 4.208 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(Br)cc31)O2 587371628 LQQUZPFCEVEGFQ-SFHVURJKSA-N 358.235 4.147 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cc(Br)cc1F)O2 587381020 FEPMGJCIWFWDOB-AWEZNQCLSA-N 368.177 4.324 0 1 FIAF COc1cc2c3c(c1)O[C@](c1cccc(C=O)c1)(C1CCCC1)[C@@H](C2)C3=O 587445751 ODOUMSCUIZOBLX-CVDCTZTESA-N 362.425 4.341 0 1 FIAF CC(=O)OC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505912 QTVWUEFEJYHUFI-JOCHJYFZSA-N 368.404 4.128 0 1 FIAF C[C@H]1C(C)(C)[C@H](C(=O)O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529604 QDDMGLZDQRUOMM-SRMJIJMDSA-N 356.462 4.426 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N)ccc2F)N1 587719062 OTIKSZMCBKMUSL-HUTHGQBESA-N 367.237 4.107 0 1 FIAF Cc1cc(C)n(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587763323 JGSAZQKXSPXVGZ-ZUZCIYMTSA-N 366.278 4.067 0 1 FIAF CC[C@]1(c2ncccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587773954 SRNYFOZUTCPPBC-SGTLLEGYSA-N 363.274 4.479 0 1 FIAF CCOCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587826892 GNVPKIKEMHMCNX-BTDLBPIBSA-N 368.246 4.341 0 1 FIAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 587827989 NCTCBWHWPGKJEZ-OUCGEPOUSA-N 350.275 4.384 0 1 FIAF Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1ccnc(Br)c1 587940981 QYCWYJVJRCGVHF-UHFFFAOYSA-N 365.614 4.366 0 1 FIAF CCOc1c(F)cc(F)cc1[C@@H]1NCCc2cnc3c(OC)cccc3c21 963052754 HATFRGSJBNVBNI-FQEVSTJZSA-N 370.399 4.155 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c(Cl)cccc1N(C)C 963612121 RYCHHCSSTIEEOQ-FKIZINRSSA-N 360.885 4.047 0 1 FIAF COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@H](C2)N(C)CC3 1857575661 QCXMWEJEZDJYLD-HNNXBMFYSA-N 374.278 4.218 0 1 FIAF COc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1OCC=C(C)C 1857641333 MMJRWZYEBSIGMQ-UHFFFAOYSA-N 368.385 4.225 0 1 FIAF CC[C@H](CCc1ccc(C[C@@H]2C=C(C)[C@H](O)C[C@H]2C(C)(C)O)cc1)OC 2356352845 CLHYVNSCCZEHLX-DXBBTUNJSA-N 360.538 4.301 0 1 FIAF Cc1ccc(NC(=O)[C@]2(C)CCN2Cc2ccc(OC(C)C)cc2)cc1 61895864 IQFSAPPZHXCIRC-QFIPXVFZSA-N 352.478 4.385 0 3 FIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 61926076 ONUQBUBDBCQBOS-SFHVURJKSA-N 368.795 4.483 0 3 FIAF CCOc1cc2nc(=S)n(Cc3ccc(C)o3)c(O)c2cc1OCC 253993292 VXGGJJFRRQTQHD-UHFFFAOYSA-N 360.435 4.219 0 3 FIAF CC[C@@H]1CCCCN1c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 2499911 PUPGMZLHERNPDK-MRXNPFEDSA-N 366.440 4.229 0 1 FIAF O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@@H]1N1CCCC1 6010184 KWSRPMWFUYDWFC-SJORKVTESA-N 355.309 4.059 0 1 FIAF C/C(=C\c1cc2cc(C(=N)N)ccc2o1)c1cc2cc(C(=N)N)ccc2o1 27886309 PAAQGTWFRIBLCW-IZZDOVSWSA-N 358.401 4.308 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C(O)C(=O)[C@@H](C#N)C[C@]4(C)[C@@H]3CC[C@]12C 31821042 MHUSDNCLXWFRLU-SJVVCMKESA-N 371.477 4.085 0 1 FIAF O=C(Nc1ccccc1)N1CCN(Cc2csc3ccccc23)CC1 35876406 ADDKVUZIJTWXLE-UHFFFAOYSA-N 351.475 4.251 0 1 FIAF COc1ccc(-c2cocc2-c2cc(OC)c(OC)c(OC)c2)cc1O 36477199 OKEXOKMNOKAZRI-UHFFFAOYSA-N 356.374 4.354 0 1 FIAF C[C@@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 40472114 CEQYMIBPHSHBNB-YAALWGTCSA-N 356.462 4.076 0 1 FIAF COc1ccc(-c2ccc(C(=O)[C@H]3CN=C4C=C(C)C=CN4C3)cc2)cc1 49808482 NEAQPXGHTCRNQY-FQEVSTJZSA-N 358.441 4.349 0 1 FIAF COc1ncc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c(OC)n1 66100580 FADDEPYPLWAGFN-UHFFFAOYSA-N 374.396 4.392 0 1 FIAF O=C(c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1)N1CCCCC1 82140390 MCRVCDYYOVGDIQ-UHFFFAOYSA-N 368.456 4.263 0 1 FIAF CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(C(=O)O)s1 96271709 ILZRIJTYONAFQV-UHFFFAOYSA-N 370.434 4.465 0 1 FIAF O=C1C(c2ccccc2)=C(c2ccc3ccccc3c2)C[C@@H]2C[C@@H](O)CN12 96915245 ROOMESJZDQGFPO-LEWJYISDSA-N 355.437 4.116 0 1 FIAF COc1cc2oc(-c3ccc(N4CCCCC4)cc3)cc(=O)c2cc1OC 101304879 MXKVPOBPTOZRBE-UHFFFAOYSA-N 365.429 4.468 0 1 FIAF COc1ccc(OC)c(/C=C/c2nnc(S)n2-c2ccc(C)cc2)c1 103197385 QERLVAKFFVNAQS-IZZDOVSWSA-N 353.447 4.052 0 1 FIAF O=C(/C=C/c1cccc(F)c1)Oc1cc(CCc2ccccc2)oc(=O)c1 103278640 JBDUVKBTJSFOEV-ZRDIBKRKSA-N 364.372 4.183 0 1 FIAF C#Cc1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12 147278871 JDRKEUAFMTYBAX-UHFFFAOYSA-N 366.468 4.116 0 1 FIAF Cc1ccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)cc1N 167271501 OMGPUADIUCDWPZ-CSKARUKUSA-N 354.413 4.250 0 1 FIAF C[C@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N(C)C2 169336016 ZSLWUVZDXDAKIP-BSPHMWTBSA-N 353.865 4.055 0 1 FIAF CCCN(C=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 169366024 XHPVQFBYVYPXDZ-YLJYOXEESA-N 374.569 4.087 0 1 FIAF O=C1C[C@H](CCc2ccncc2)Oc2c(Br)cc(Cl)cc21 299841030 XLXNUHOYNFIQQJ-LBPRGKRZSA-N 366.642 4.464 0 1 FIAF COc1nccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c12 587004745 ZOYFJFIRGYQXFJ-UHFFFAOYSA-N 358.195 4.451 0 1 FIAF N=c1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c[nH]1 587071462 MWANFANNEFBWEV-UHFFFAOYSA-N 356.216 4.406 0 1 FIAF Fc1cnc(Cl)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 587076153 JVJIIJIVIRBZKC-NSHDSACASA-N 351.168 4.021 0 1 FIAF COc1ccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c(F)c1 587148169 DLOQRIPHHQNFHM-UHFFFAOYSA-N 370.609 4.112 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2cccc(C(=O)O)c2[nH]1)C1CCCC1 587224845 HUMHDLLMHYYIKF-AWEZNQCLSA-N 359.426 4.017 0 1 FIAF O=C(c1sccc1Cl)c1c(CO)oc2cc(Br)cnc12 587276924 XHILZJAHIAQNGF-UHFFFAOYSA-N 372.627 4.029 0 1 FIAF C[C@]1(C[C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358075 PICNYKJCYBOCKF-WHIIXXIBSA-N 356.393 4.076 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccncc3)cc1)O2 587394093 CLIVCXGZBLBDOJ-NRFANRHFSA-N 360.413 4.258 0 1 FIAF CCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400361 NBDNISIDBPTEDY-IBGZPJMESA-N 355.434 4.471 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1CO[C@H]1CCCCO1)O2 587407571 CPZFSNHWSOYXKG-SFTDATJTSA-N 367.445 4.327 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccccn1)[C@@H](C2)C3=O 587436214 ODEXZYKWSQPBKG-MBSDFSHPSA-N 373.408 4.158 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ocnc3c2)N1 587777874 DOUAQNOFZJVDIS-XLFHBGCDSA-N 361.214 4.353 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]2OC2CCC2)N1 587813293 UJTIRBPGDXXZQU-GPNNCHTKSA-N 354.263 4.049 0 1 FIAF Cc1nc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587852841 NMXMELVYDOTWMB-ZKANADHPSA-N 369.303 4.459 0 1 FIAF COc1ccc(-c2ccc(-c3nc4cc(CO)ccc4[nH]3)cc2)cc1OC 587929466 USAYRSHTKIVZHA-UHFFFAOYSA-N 360.413 4.406 0 1 FIAF CC(C)C[C@@]1(c2cccc(Cl)c2)NCCc2ccc(C(=O)N(C)C)cc21 962933346 UNJFVSFALGLICZ-QFIPXVFZSA-N 370.924 4.477 0 1 FIAF Fc1ccc([C@@]2(c3cnccn3)NCCc3c(Cl)cc(Cl)cc32)cc1 963103742 GLKSRTSLDOWMRI-LJQANCHMSA-N 374.246 4.360 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c(N)oc2ccc(F)cc2c1=O 963244343 WDAWNLLWLFXZQF-RNODOKPDSA-N 366.436 4.260 0 1 FIAF Cc1cccc(-c2ccc([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)cc2)c1 963556213 VXKZMKLSLMDBKD-REWPJTCUSA-N 373.452 4.364 0 1 FIAF C[C@]12CC[C@@H]3c4c(Br)cc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2O 2356610630 RFIKGEXHGJJIHW-BHUQQCALSA-N 351.284 4.372 0 1 FIAF CC=CC=CC=CC=C[C@H](O)CC(=O)CC=C1CC=C(OC)[C@H](OC)C1 2356766444 HBZCURMVRPLXBZ-SIKLNZKXSA-N 358.478 4.207 0 1 FIAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccc(OC(F)(F)F)cc1 2356859522 SVRGWQGFCDGQMR-VNHYZAJKSA-N 372.387 4.254 0 1 FIAF Cc1cc(C(=O)C(C)C)c(O)c(Br)c1OC(=O)C(C)(C)C 2382222786 NRZZWFBLKBVSEB-UHFFFAOYSA-N 357.244 4.253 0 1 FIAF CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccc3cn2)n1 2382227358 WRHRWHXBYYUTFV-UHFFFAOYSA-N 373.420 4.113 0 1 FIAF Cc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)Cc2ccc(C(C)C)cc2)cc1 61904261 YZUGASLHVQHBGW-HSZRJFAPSA-N 364.489 4.291 0 3 FIAF CCCCCC[C@@H](C)c1ccc2c(c1)C(=O)c1nc3ccncc3c(=O)n1-2 1543371 MWVLTABHKRFJTM-CQSZACIVSA-N 361.445 4.399 0 1 FIAF O=C(c1ccccc1Cl)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 6618585 FILKRGVUCHZEGY-HNNXBMFYSA-N 367.836 4.410 0 1 FIAF COc1cccc(-c2cn3c(n2)sc2cc(C(=O)NC(C)C)ccc23)c1 6748729 DUJWOBVELDQDSQ-UHFFFAOYSA-N 365.458 4.363 0 1 FIAF COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1CC=C(C)C 14819394 BSZYNZDGUZYMDL-UHFFFAOYSA-N 352.386 4.389 0 1 FIAF endogenous,in-man C[C@@H]1Oc2[nH]c3ccccc3c(=O)c2[C@@]1(C)CC[C@@H]1OC(C)(C)OC1(C)C 14916750 IQNWBWZINFOHGE-ODIUBACGSA-N 371.477 4.277 0 1 FIAF biogenic CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1 14975615 GCOZWYSMVAXUDI-UHFFFAOYSA-N 351.859 4.170 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCCO 26184778 PTIUXNGGNGQHQK-ULWPBSRMSA-N 366.498 4.133 0 1 FIAF Cc1nc(C(F)(F)F)sc1COc1ccc2c(ccn2CC(=O)O)c1 28822718 PYEXAJOHIMHJGE-UHFFFAOYSA-N 370.352 4.089 0 1 FIAF O=C(Nc1ccc2sc(CO)nc2c1)c1ccc(C(F)(F)F)cc1 35930609 OIKHQFACFNPRJP-UHFFFAOYSA-N 352.337 4.060 0 1 FIAF COc1cccc(Nc2nnc([C@H](O)c3ccc(SC)cc3)s2)c1 82078196 NWJXPQFHEPXYRC-OAHLLOKOSA-N 359.476 4.094 0 1 FIAF CCCCC[C@@H](O)/C=C/CCCC(=O)N(C)CCCCCCC(=O)O 169322018 MIQRILKTNZHQTM-MOVXZBDNSA-N 355.519 4.148 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)C[C@H]2CC[C@H]1N2C 253639841 VMRNKEYMTOGQHV-NCYKPQTJSA-N 353.437 4.232 0 1 FIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(F)cc(F)c2[nH]1 587041676 CZVOBPVGAMWAGS-CYBMUJFWSA-N 365.792 4.150 0 1 FIAF COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(C(F)(F)F)c1 587097537 KNXIJQRTUOFZGN-UHFFFAOYSA-N 364.323 4.419 0 1 FIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(cnc3ccccc32)[nH]1 587147602 AEDLFKGAGZSODD-UHFFFAOYSA-N 361.355 4.457 0 1 FIAF CCCC[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354680 OSAKHPAFYCPHSE-TZIWHRDSSA-N 356.393 4.408 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(Cc3ccccc3)c1Cl)O2 587379619 JRHMGWUVUPZJFO-SFHVURJKSA-N 367.836 4.182 0 1 FIAF CCOc1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587388934 BUYHFJXSHULRKO-NRFANRHFSA-N 362.429 4.473 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc3c(c1)OCO3)O2 587410828 ZXTZYBPWQVLDAY-QHCPKHFHSA-N 373.408 4.215 0 1 FIAF CCCOc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1 587412101 LYBUPYITBIQUHM-NRFANRHFSA-N 353.418 4.009 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc3nc(C)nc(C)c3c1C)O2 587415355 RRLMSSBLSKNJPE-FQEVSTJZSA-N 367.474 4.388 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(OC)cc1F)CC2=O 587468698 ZAMIIHUCLHMYMK-OAQYLSRUSA-N 374.408 4.382 0 1 FIAF COc1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587571344 NDAJACUXJXXSGD-NQIIRXRSSA-N 366.344 4.243 0 1 FIAF CC(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 587587289 NKBPSTJUZUGFNH-YLJYHZDGSA-N 351.358 4.207 0 1 FIAF O=C(CSc1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O 587654294 JUFYDBKLCZMZNA-UHFFFAOYSA-N 365.241 4.136 0 1 FIAF CCn1cnc(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587705266 LYAXPZVWBHDYQT-SDBXPKJASA-N 372.669 4.082 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2F)N1 587715532 CTWJYSBTXFHVDB-ZKANADHPSA-N 356.185 4.490 0 1 FIAF CO[C@@H]1[C@H](C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 587813329 UVXZKVKCMCIVAA-DEBODMBPSA-N 368.290 4.153 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CCCO[C@H]1C2(C)C 587840960 LABVDNSERCBRTI-IGMLBDDESA-N 368.290 4.153 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc[nH]1 587858829 BXBJYENSJHXOHD-UHFFFAOYSA-N 350.205 4.272 0 1 FIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1cccc2c1CCC21OCCO1 963114484 UDTZPOKHBGNLCJ-VGOFRKELSA-N 365.448 4.081 0 1 FIAF CC(=O)N1CCc2c([nH]c3ccc(Br)cc23)[C@H]1c1ccccc1 1640628 CBMFCUHTQKAALP-LJQANCHMSA-N 369.262 4.424 0 1 FIAF COc1ccc(C2=NN(C3CCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC 26572134 QWPPDUCOFLWBIF-MSOLQXFVSA-N 368.477 4.165 0 1 FIAF CCn1c(-c2cccc(OC(C)=O)c2)c(C)c2ccc(OC(C)=O)cc21 29226949 HIHHQCQCAGMZNO-UHFFFAOYSA-N 351.402 4.487 0 1 FIAF Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(-c3ccccc3)cc2)n1 45322113 CKQXMSDRDDHCOR-UHFFFAOYSA-N 365.440 4.464 0 1 FIAF Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@H]2c2ccc(F)cc2)cc1 58589988 HXRAAZYXPJURRL-AZUAARDMSA-N 372.465 4.426 0 1 FIAF CN(CC1CCCCC1)C(=O)CCCn1c(N)nc2cc(Cl)ccc21 58603556 KDDUNAHVUVLPJZ-UHFFFAOYSA-N 362.905 4.091 0 1 FIAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2ccccc2)C1 82133197 GTEPMUUQSVWVEG-HZPDHXFCSA-N 364.493 4.084 0 1 FIAF COc1ccc(CCNc2cc(-c3ccc(F)cc3F)ncn2)cc1OC 82160521 HBISMBCZFZFPQM-UHFFFAOYSA-N 371.387 4.094 0 1 FIAF CN1C(=N)N[C@@](c2cccc(-c3cccc(Cl)c3)c2)(C2CCCC2)C1=O 84604815 TYMVGXIPQGTWEX-OAQYLSRUSA-N 367.880 4.389 0 1 FIAF CC[C@]12CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@@H]1CCc1ccccc12 117624302 DMFFSBZFOUFDQX-FYYLOGMGSA-N 359.473 4.462 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(C)=O 118932727 ZJNYSXYHIAEESM-OGNUZGJXSA-N 374.521 4.059 0 1 FIAF C[C@@H](c1ccc(Br)cc1)N1CC[C@@]2(CCC[C@@H](O)C2)OC1=O 142706652 MQYGULPHXXCPNV-XGWLTEMNSA-N 368.271 4.026 0 1 FIAF C[C@H]1CNCc2c1oc1c(Cl)cc(S(=O)(=O)c3ccccc3)cc21 143409807 PQXKCQGOEWTAEH-NSHDSACASA-N 361.850 4.126 0 1 FIAF CNc1ccccc1N1C(=O)CS[C@H]1c1cccc(Br)c1 169342627 AGQHVUSZZOPUTO-INIZCTEOSA-N 363.280 4.269 0 1 FIAF CC1=NC(=O)N[C@H](c2ccc(C(F)(F)F)cc2)[C@@H]1C(=O)OC1CCCC1 169719427 SFEKXMBXFZSKQT-HUUCEWRRSA-N 368.355 4.033 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@H](O)[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C 257397904 COFSRJDBTTZNBZ-WPRDYSQTSA-N 364.526 4.015 0 1 FIAF endogenous,in-man CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(C)Cc4ccccc4)[C@H]3C=C12 504187704 XXGSVFUSBZGYSU-AMEVOLBXSA-N 351.490 4.353 0 1 FIAF biogenic CC(C)(C)OC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989260 DEKCDFFWYAHJEL-ZDUSSCGKSA-N 373.408 4.133 0 1 FIAF CCCn1cnc2cc(-c3nc4ccc(O)cc4[nH]3)cc(Br)c21 587004293 QXFPTOKMFCKVPW-UHFFFAOYSA-N 371.238 4.458 0 1 FIAF N[C@@H](N=O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074823 CVOLDNPFXYHMJE-ROUUACIJSA-N 369.856 4.277 0 1 FIAF FC(F)(F)c1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1 587077259 SYCWZIAQESBAMN-ZDUSSCGKSA-N 366.730 4.247 0 1 FIAF CC(C)OC(=O)C1(c2nc3ccc(C(C)(C)C)cc3[nH]2)CC(F)(F)C1 587131300 CVMYVJJRNDVNDU-UHFFFAOYSA-N 350.409 4.479 0 1 FIAF Nc1cccc(C(=O)O)c1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587248326 NCTZZSHLFPUAGZ-UHFFFAOYSA-N 371.702 4.062 0 1 FIAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587249304 GDPIMXFWUUVDMD-UHFFFAOYSA-N 369.730 4.106 0 1 FIAF COCC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350925 SPNNSWCJDHJXRJ-ZAOYMGCJSA-N 370.420 4.466 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCC(c3nc(CC)no3)CC1)CC2=O 587479940 BEIVFISCPISKIM-UHFFFAOYSA-N 370.449 4.352 0 1 FIAF CCOC(=O)C[C@]1(C2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587520665 APBUWNZHOZHALU-QFIPXVFZSA-N 356.462 4.413 0 1 FIAF C[C@]1([C@H]2Cc3ccccc3C(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587530466 CFILIUMPEAMMNY-NFBKMPQASA-N 362.425 4.071 0 1 FIAF Cc1c[nH]c2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589717 QHAMQONJCNCNPU-DENIHFKCSA-N 361.397 4.222 0 1 FIAF Cc1ccnc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587768902 DOOOMOWBEQOWQE-SGTLLEGYSA-N 363.274 4.284 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2C=O)N1 587816179 VAWTWAIHUIRBKO-ADLMAVQZSA-N 362.242 4.198 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3C[C@H]2CCC3=O)N1 587826090 GHLMVQVUCIZPMY-ZSMOCIRGSA-N 366.274 4.097 0 1 FIAF Cc1ccc([C@]2(C(C)(C)C)NCCc3ccc(C(=O)N(C)C)cc32)c(C)c1 962926807 VJXNGJNOJZXJAQ-DEOSSOPVSA-N 364.533 4.441 0 1 FIAF O=C(O)c1cccc2c1CCN[C@@]2(CCC1CCCCC1)c1ncco1 963123019 NMZUEPFLCNNLSA-OAQYLSRUSA-N 354.450 4.123 0 1 FIAF CC(=O)O[C@@H]1O[C@H]2OC(=O)[C@H](C)[C@H]3C([C@@]4(C)CCCC(C)(C)C4)=CC=C1[C@@H]23 1911583956 OSZJDRRCNZELDT-GIYPFYPDSA-N 374.477 4.130 0 1 FIAF Cc1nc2ccccc2c2oc(C(=O)NCCCN3CCC[C@@H](C)C3)cc12 4902817 YREDJXQACJRXDM-OAHLLOKOSA-N 365.477 4.141 0 3 FIAF C[C@@](O)(c1ccncc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61908561 WJCAAFAIGNIPRL-MRXNPFEDSA-N 350.365 4.480 0 3 FIAF COc1ccc(CNCCCCCCNCc2ccc(OC)cc2)cc1 5179388 JRZQDBCUDRRULG-UHFFFAOYSA-N 356.510 4.144 0 1 FIAF Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccco2)s1 13587439 BFSDCMXBRNMKDG-UHFFFAOYSA-N 361.810 4.203 0 1 FIAF C[C@@H](CNc1nccn(-c2ccc(F)c(Cl)c2)c1=O)c1ccccc1 15732416 DARVJYQLXXJJID-ZDUSSCGKSA-N 357.816 4.241 0 1 FIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4C=C(O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26404141 ZFZLLLFBWBJQJN-KGVYPZOGSA-N 370.537 4.386 0 1 FIAF CCOc1ccc(/C=C\c2cccc(C(F)(F)P(=O)(O)O)c2)cc1 27094856 LXHBHAQHDBXTHS-SREVYHEPSA-N 354.289 4.483 0 1 FIAF CO[C@@]1(C)CC[C@@H]2[C@H]3[C@H](CC[C@H]2C)[C@@H](C)C(=O)N(CC(C)(C)C)[C@@H]3O1 27558789 CGSGTVOLHMBNGV-PIDAMQRKSA-N 351.531 4.288 0 1 FIAF O=C(Nc1ccc(Cl)cc1)c1ccnn1CCc1ccc(F)c(F)c1 28822038 NYXWBCCABNTOHP-UHFFFAOYSA-N 361.779 4.310 0 1 FIAF CN(C)c1ccnc2sc3c(=O)n(-c4ccc(Cl)cc4)ccc3c12 35284736 FONMLWMEVQYZKW-UHFFFAOYSA-N 355.850 4.320 0 1 FIAF COc1ccc(C(=O)Cn2c(C(=O)c3ccccc3)nc3ccccc32)cc1 66099462 BLEYEEGLQQKZIS-UHFFFAOYSA-N 370.408 4.159 0 1 FIAF CC(C)CNC(=O)CNc1nc(-c2cccc(C(F)(F)F)c2)cs1 82192069 HUVFJXDPBBHHGB-UHFFFAOYSA-N 357.401 4.013 0 1 FIAF CC(C)OC(=O)c1cc(-n2sc3c(c2=O)CCCC3)c(F)cc1Cl 103182048 NSHJXMHUAPEVPR-UHFFFAOYSA-N 369.845 4.136 0 1 FIAF CSc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 113339332 NGHLZEZXRFLFJC-SFHVURJKSA-N 352.507 4.361 0 1 FIAF O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1CCCc1ccccc1 299859546 IEFXJJLLVUOCLX-FQEVSTJZSA-N 356.897 4.053 0 1 FIAF O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 586885192 KWIUTBYJZDFVQZ-RYRKJORJSA-N 356.425 4.433 0 1 FIAF Cc1c(Br)ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c12 586906545 NRHXAUWXARSTRN-RIYZIHGNSA-N 355.191 4.302 0 1 FIAF [O-][n+]1ccccc1SCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586970386 YXVIPNAJMPQVJY-UHFFFAOYSA-N 359.760 4.161 0 1 FIAF COc1cc(/C=C/c2nc3ccc(C(=O)O)cc3[nH]2)ccc1Br 586975405 BZTDFOQUOIPCBG-XVNBXDOJSA-N 373.206 4.203 0 1 FIAF N=c1[nH]c(-c2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cs1 587020524 ATBWETKETZQIJM-UHFFFAOYSA-N 362.245 4.468 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2ccc(F)c(C)c2[nH]1)C(F)(F)F 587091983 KDGOJTBPJGFUKV-QGZVFWFLSA-N 367.346 4.174 0 1 FIAF Cc1c(Br)cnc2[nH]c(-c3ncccc3C(F)(F)F)nc12 587108688 PBVFEABROGMTAE-UHFFFAOYSA-N 357.133 4.110 0 1 FIAF O=C(O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587157722 BOYMZNKYAVLXFF-UHFFFAOYSA-N 372.359 4.406 0 1 FIAF COc1cc(C(F)(F)F)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587381475 JNXGTMXNQOYGAG-MRXNPFEDSA-N 351.324 4.311 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1N1C[C@@H](C)C[C@H](C)C1)[C@@H](C2)C3=O 587438568 QFXISERGZBFJQW-WJIRDHAOSA-N 369.505 4.102 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C(=O)c1ccco1)(c1ccco1)CC2=O 587476555 CVJYFQGHFRAJOE-NRFANRHFSA-N 366.369 4.274 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C(C)C)([C@@H](CC)C(=O)OCC)CC2=O 587477581 DBXQHLOADLWLFD-HRAATJIYSA-N 362.466 4.294 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ncon3)cc1)CC2=O 587481559 GPFVWXBADDRIGU-GOSISDBHSA-N 350.374 4.101 0 1 FIAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1-n1cccn1 587517339 LEOCHECKKQQMCM-HXUWFJFHSA-N 359.429 4.161 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(F)cc12 587572273 UTPJVGDWFBAWNX-SIKLNZKXSA-N 362.356 4.335 0 1 FIAF COc1ccc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587598050 AGPKUNFRINBVFH-DENIHFKCSA-N 362.381 4.412 0 1 FIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccccc1F 587623145 ZMRJYPCTUUJEPT-UHFFFAOYSA-N 372.197 4.485 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3ccccc32)N1 587798687 VITLSOXTEFPIQP-BBATYDOGSA-N 361.258 4.182 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3cc[nH]c3c2)N1 587806945 WTGFEJDIGTYSAP-XYZCENFISA-N 360.230 4.088 0 1 FIAF Cc1ccc(O)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587833492 NXCGNLVNJFWQRK-BMLIUANNSA-N 350.231 4.226 0 1 FIAF CC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587844843 BZXLCBUOZHQLAB-PWJLMRLQSA-N 368.271 4.476 0 1 FIAF COc1cc(C2(c3nc4cncc(Br)c4[nH]3)CC2)ccc1C 587924972 HXOOCUDPEKUBOC-UHFFFAOYSA-N 358.239 4.117 0 1 FIAF Cc1nnn2c1-c1ccccc1N(Cc1cccc(Br)c1)CC2 1857630782 UYRUHHLEYUGTMC-UHFFFAOYSA-N 369.266 4.036 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C(C)=CCC=C(C)C)[C@@H]2[C@H]1CO[C@H]1CC(=O)[C@H]2[C@H]1C 2356756233 KKDFVJMHBWOJRT-OPWBUPRBSA-N 360.494 4.097 0 1 FIAF CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2c3ccccc3C[C@H]12 15952427 PTCKNXLVCDVUGX-CGTJXYLNSA-N 361.363 4.367 0 3 FIAF Cc1cc(C)c(C[C@H]2COC(=O)[C@]2(O)Cc2c(C)cc(C)cc2C)c(C)c1 6041931 MFPYXMKRBHAZCY-RDPSFJRHSA-N 366.501 4.226 0 1 FIAF CCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1 29130927 VEAZXTGDLQXXBY-UHFFFAOYSA-N 361.445 4.414 0 1 FIAF CCCCC[C@H](O)[C@H](/C=C/[C@H](O)CCCCCCCC(=O)O)OCC 33820379 IEEBTNFNSJRPDT-HLMIDSFGSA-N 358.519 4.065 0 1 FIAF CN(C)CCc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(O)c1 34641019 GXCHDJZRSKYWDS-UHFFFAOYSA-N 364.493 4.042 0 1 FIAF CCCCCNc1ncnc2c1nc(-c1ccccc1)n2C[C@@H]1CCCO1 82186121 YURMEZWPNLQMQT-KRWDZBQOSA-N 365.481 4.274 0 1 FIAF CCn1c(CNc2ccccc2)nnc1SCc1nc2ccccc2o1 84672531 LPRVHISKPCBEKC-UHFFFAOYSA-N 365.462 4.344 0 1 FIAF CC1(C)C(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)no3)C2)C1(C)C 95588579 IBTQOPHZGZPAFN-HNNXBMFYSA-N 353.466 4.125 0 1 FIAF CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(F)cc2)C1 95596401 PBCNZXLLSIAHHR-UHFFFAOYSA-N 353.437 4.091 0 1 FIAF Nc1nccn2c(C3CCC3)nc(-c3ccc(O[C@@H]4CCCCO4)cc3)c12 96168115 RYXLLBJQMCLZSO-QGZVFWFLSA-N 364.449 4.151 0 1 FIAF CCN1[C@H]2CC[C@H]1CC(OC(=O)[C@@H](C)c1ccc(Br)cc1)C2 102140047 SARCZMQJOSUZFB-RCBQFDQVSA-N 366.299 4.111 0 1 FIAF O=C([C@@H]1[C@H]2CCCC[C@H]2C=C[C@H]1c1ccc2c(c1)OCO2)N1CCCC1 238762148 QXSFPRUSCMGQOM-QUJKESNLSA-N 353.462 4.114 0 1 FIAF COc1cc2c(cc1OC1CCCC1)CN(C(=O)c1ccccc1F)CC2 473247470 DIIOLNBFAAJGOK-UHFFFAOYSA-N 369.436 4.354 0 1 FIAF Cc1cc(NC(=O)Nc2ccccc2F)ccc1NC(=O)c1cnoc1C 473249921 ZETWGBKQHCMNKL-UHFFFAOYSA-N 368.368 4.327 0 1 FIAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587024229 ZSNLPKZFRRNFKB-UHFFFAOYSA-N 363.442 4.459 0 1 FIAF O=C1CCc2cc3[nH]c(-c4ccc(-c5nccs5)s4)nc3cc2N1 587024357 XBKLIPVUMZDYSB-UHFFFAOYSA-N 352.444 4.300 0 1 FIAF CCOC(=O)c1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2c1 587027898 JCZIRMVWHGOQQD-UHFFFAOYSA-N 352.419 4.167 0 1 FIAF Brc1nccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587036651 IKMPZHAZIXDUPS-LLVKDONJSA-N 352.282 4.161 0 1 FIAF Cc1cc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c(C)n1 587082127 LBFLKMRJMZBHPG-UHFFFAOYSA-N 353.813 4.128 0 1 FIAF CCOC(=O)[C@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587107644 SMVJZHDWLUPJJC-INIZCTEOSA-N 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OVAJOKSKLNJTSV-SECBINFHSA-N 355.656 4.203 0 1 FIAF OCCc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587075428 CYZCVUOICLUZAX-UHFFFAOYSA-N 365.820 4.186 0 1 FIAF Cc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Br 587088520 OBGAKHHUQHGPIH-VIFPVBQESA-N 356.214 4.384 0 1 FIAF COc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1OC 587135327 XEGNLLGNZFXLSG-ARJAWSKDSA-N 370.277 4.446 0 1 FIAF COC(=O)c1cccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587241929 FUHFLVYHLBKUAB-UHFFFAOYSA-N 359.385 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Br)ccc2C[C@@H]1C 587371586 LAGOMTLHSQYANR-WLRWDXFRSA-N 372.262 4.393 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1ccc(Cl)cc1)O2 587378436 OOYIACUYPPQNLX-FQEVSTJZSA-N 373.836 4.346 0 1 FIAF CC[C@@H](C)Oc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587399696 JGRLESHBKQATGA-YJYMSZOUSA-N 355.434 4.470 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1sc3ccccc3c1C)O2 587413134 MMPLHCUBDOJPML-HXUWFJFHSA-N 367.426 4.046 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(Br)c1)[C@@H](C2)C3=O 587416810 FWPPEVDSMZPMNS-KSSFIOAISA-N 359.219 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccco3)n(C)n1)CC2=O 587474978 JCSVSIXKCKZXSO-IBGZPJMESA-N 352.390 4.045 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1c(CC)nn3CC)CC2=O 587476872 RRFVXNIUGAVERZ-QFIPXVFZSA-N 368.477 4.321 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cncnc1)CC2=O 587487062 CVNVCKFVQGTOSF-QFIPXVFZSA-N 360.413 4.044 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccccc3nc1C)CC2=O 587492047 WEDLWCFDCLCRFF-JOCHJYFZSA-N 362.429 4.477 0 1 FIAF C[C@@]1(c2ccc(-n3cncn3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587517389 MGRROUGWUZNSHK-QFIPXVFZSA-N 359.429 4.027 0 1 FIAF CCOC(=O)c1c(C)[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587523827 HSHPINBIHOYDOZ-SFHVURJKSA-N 367.445 4.394 0 1 FIAF CCOC(=O)C1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CCCC1 587527215 WTVSGADMRRLZDY-NRFANRHFSA-N 356.462 4.413 0 1 FIAF O=C1C[C@@H](c2cnc(-c3ncccn3)s2)Oc2c1ccc1c2CCCC1 587535079 ICBCPRRVWQTHQY-INIZCTEOSA-N 363.442 4.185 0 1 FIAF CC(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587601134 FAFWZQSHGRISTR-OFNKIYASSA-N 374.392 4.472 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccnc1Cl 587657871 CLCFNFMMOBMJFH-UHFFFAOYSA-N 351.768 4.240 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Cl)c2F)N1 587725620 FPQHZPFTSWXQTC-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cnc2F)N1 587740536 XXWAMGXZXGINOV-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(C)c3ccccc23)N1 587762477 FJIKUQAOBNPNFO-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF CCc1cccnc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587773902 SAXNDBRLQHYKES-VOJFVSQTSA-N 363.274 4.343 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NC1CC1 587860778 CHGKNWVKUFEEJA-UHFFFAOYSA-N 356.278 4.141 0 1 FIAF Fc1ccc(F)c2c1OCC[C@@]21c2ccc(C(F)(F)F)c3c2CCN31 962717898 XVMTXKSJGXWONZ-QGZVFWFLSA-N 353.290 4.386 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]2(C[C@@H](C)CC(=O)O)c1ccccc1 963268917 BEZMSUYSHXYRCW-LHSJRXKWSA-N 373.880 4.239 0 1 FIAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@@H]2CC[C@@H]34)C1 2356548817 GLIWUZBUVUGCTJ-WFTHLIFKSA-N 370.581 4.384 0 1 FIAF O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccn1 11665040 ILCYFYGUSIKWMH-FQEVSTJZSA-N 359.454 4.412 0 3 FIAF CCOC(=O)c1ccc2c(c1)nc1n2[C@@H](c2c(F)cccc2F)SC1 13162076 NBHGQRPGXCMAGM-QGZVFWFLSA-N 360.385 4.285 0 1 FIAF CN(C)C(=O)C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1 13553319 WNFPRQUEDLLACK-UHFFFAOYSA-N 353.462 4.340 0 1 FIAF Cc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n(-c2ccccc2)n1 17993918 ZPNMLIXYABYUPS-UHFFFAOYSA-N 364.836 4.289 0 1 FIAF COc1ccccc1C(=O)OC[C@@H]1CCCN(CCCc2ccccc2)C1 27203163 KBNPAUMJJDMVAX-HXUWFJFHSA-N 367.489 4.197 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2CC(CCCCC(=O)O)=C[C@H]2C[C@H]1O 33821996 JANVYOZZTKSZGN-WCAFQOMDSA-N 350.499 4.072 0 1 FIAF in-vitro Cc1ccc(N2CCn3c(COc4ccc(Cl)cc4C)nnc32)cc1 40379603 DGDSQFIPXHFTJU-UHFFFAOYSA-N 354.841 4.279 0 1 FIAF C[C@@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1ccc[nH]1 40676709 XGBWNEKVHQUBJF-ONYKKKHRSA-N 368.521 4.335 0 1 FIAF Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Oc3ccccc3)c2)cc1 68600765 MPPYFNRHQNEMPW-UHFFFAOYSA-N 367.426 4.015 0 1 FIAF biogenic COc1ccc2[nH]cc(C(=O)c3nccc4c3[nH]c3ccc(O)cc34)c2c1 73140392 FYSFOLWQJYEJRV-UHFFFAOYSA-N 357.369 4.143 0 1 FIAF O=C(CNC(=O)c1csc(-c2ccccc2)n1)OCCC1CCCCC1 82072240 UCXNRBQLUJZBSC-UHFFFAOYSA-N 372.490 4.054 0 1 FIAF COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3C)c2=O)cc1 95598340 OKDJGMAMYZJAND-UHFFFAOYSA-N 356.809 4.054 0 1 FIAF COc1ccc(OC)c([C@H]2CC(c3ccncc3)=NN2c2ccccc2)c1 103201314 YHHKHVVDHFIVKL-OAQYLSRUSA-N 359.429 4.455 0 1 FIAF Cc1ccc(-c2cc(NCCNc3cc(-c4cccs4)[nH]n3)n[nH]2)cc1 147150321 ROLBHBBISCCQJE-UHFFFAOYSA-N 364.478 4.361 0 1 FIAF CCCn1ccc2c(N(C)CCc3ccc(OC)cc3)cccc2c1=O 169329897 LHSPQPRENUPWKB-UHFFFAOYSA-N 350.462 4.099 0 1 FIAF CC(C)[C@H](CO)NCc1nc(C2=CC[C@@H](C(F)(F)F)CC2)ccc1F 204414405 HOSRLMMWTBJSRE-DYVFJYSZSA-N 360.395 4.073 0 1 FIAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(C)=C/CO)[C@H](C)C(=O)C[C@@H]12 238778963 NLSHPJQSTZKKHA-QLNSMDAHSA-N 364.526 4.306 0 1 FIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)[C@H]5COC[C@]43C5)[C@H]1CC[C@@H]2OC1CC1 253896623 NXHVROPEBMRJEZ-OQZMBBBRSA-N 358.522 4.094 0 1 FIAF CC[C@]1(C)C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 586887005 FCLYNIDZMKCUHP-SREIQFSDSA-N 359.065 4.387 0 1 FIAF Oc1c(Br)ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586887579 VCMBZYUHHDDJTK-XIKOKIGWSA-N 355.235 4.403 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O)cc1Cl)CC2=O 587458434 BPSQWXXRSBWAOR-KRWDZBQOSA-N 362.809 4.419 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3ccc(C)cn13)CC2=O 587492923 YQXRHSVNKPGMCW-SFHVURJKSA-N 350.418 4.316 0 1 FIAF COc1c(F)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555888 HPGNGZNADYYPEZ-DYESRHJHSA-N 366.344 4.243 0 1 FIAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1 587581999 YHAAVVDLQICNMS-SIKLNZKXSA-N 361.397 4.160 0 1 FIAF Cc1ccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc2c1 587584895 BNTUIQYVGTZSKU-SIKLNZKXSA-N 372.380 4.051 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2ccccc12 587587541 GZOAHTQBCLUCPD-RXVVDRJESA-N 373.364 4.282 0 1 FIAF Cc1cccc(C)c1C(=O)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603723 RDNTZASRYRFELG-WMZHIEFXSA-N 374.392 4.222 0 1 FIAF CCn1ncc(-c2[nH]c3c(C)cc(Cl)cc3c2N2CCOCC2)c1C 587627474 XVKRLGOGXHZTMN-UHFFFAOYSA-N 358.873 4.158 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2F)N1 587715516 CTWJYSBTXFHVDB-BCTVWOGZSA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(O)ccc2F)N1 587720700 UABKIELSWNIKLZ-VVVCHXIZSA-N 368.221 4.231 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(F)ccc32)N1 587735496 UTCHDLFCBFJGOX-XTZNXHDOSA-N 364.233 4.451 0 1 FIAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C)c1C 587753734 WPCGJOZDOZSPKI-NIVTXAMTSA-N 365.290 4.476 0 1 FIAF CC(C)n1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587765223 RWQDJEOBWUHRDG-APPDUMDISA-N 366.278 4.163 0 1 FIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 587783921 CCAHJTAHVSOMDW-WDEREUQCSA-N 362.216 4.208 0 1 FIAF CCCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789373 BPDQLSJSEDEZOE-APPDUMDISA-N 372.278 4.071 0 1 FIAF COCCC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 587791930 JZAFDOPXGXMGHU-ZBEGNZNMSA-N 356.279 4.370 0 1 FIAF Cc1ccnc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587802375 LWIUOVDJQVRSDT-BMLIUANNSA-N 374.257 4.397 0 1 FIAF COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587810735 UIMDFUYEAVRSQP-BTDLBPIBSA-N 350.231 4.220 0 1 FIAF COc1cccc(CCc2nc3c(Cl)c(Br)cnc3[nH]2)c1 587930495 GYRJCZGDCSHCLS-UHFFFAOYSA-N 366.646 4.168 0 1 FIAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccc(Cl)c1Cl 621475060 IRTPXZBDBOSYIA-KECPUOCWSA-N 353.209 4.086 0 1 FIAF Cc1cccnc1-c1ccc2c(c1)CC[C@@H](C)N2C(=O)c1ccc(O)cc1O 653634443 CXYRJLAOPDAFSS-OAHLLOKOSA-N 374.440 4.450 0 1 FIAF CC(=O)N(C)c1cccc([C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)c1 963114550 VNVBIJHDUUIHSY-UGKGYDQZSA-N 352.453 4.092 0 1 FIAF Cc1cccc(C)c1-c1cccc([C@]2(c3ccccc3)NC(=N)N(C)C2=O)c1 1857567425 XDRDIAWLSMUCBG-DEOSSOPVSA-N 369.468 4.210 0 1 FIAF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CNC(C)=O)C=C3C)[nH]c2c1 2356288124 WWLSINURQHPUEZ-SCTDSRPQSA-N 369.509 4.105 0 1 FIAF F[C@H]1CN(Cc2c[nH]c3ccccc23)C[C@H]1OCc1nc2ccccc2o1 2356302454 VUWJMARBVQJSLW-OXJNMPFZSA-N 365.408 4.048 0 1 FIAF COc1cc([C@H](c2ccc(OC)c(OC)c2)[C@H](C)[C@@H](C)CCO)ccc1O 2356782589 JWXWYLISMAKORK-SMASLZHESA-N 374.477 4.205 0 1 FIAF CC(=O)O[C@@H]1CC(C)=C[C@@H](O)[C@@H](O)C(C)=CCCC(C)=CC=C1C(C)C 2356805681 VJRYFYSHAWXPQA-VSKRKVRLSA-N 362.510 4.245 0 1 FIAF Cc1cccc([C@@H]2C[C@]3(CC(C)(C)N=C(S)N3)Oc3cc(O)ccc32)c1 13556627 XCPZJDYJAXIWTF-LAUBAEHRSA-N 368.502 4.369 0 3 FIAF C[C@H]1CCC[C@H](C)N1CCC(C(N)=O)(c1ccccc1)c1ccccc1 1655392 PSQWUJYJGGAOTN-OALUTQOASA-N 350.506 4.111 0 1 FIAF CCCCNc1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl 13584776 SDJLQXJVHZWCFR-UHFFFAOYSA-N 374.872 4.354 0 1 FIAF ONc1nc(NO)c2cc(Sc3cccc(C(F)(F)F)c3)ccc2n1 26264716 LIUKXBUQOZUTKS-UHFFFAOYSA-N 368.340 4.402 0 1 FIAF Cc1ccc(C)c(C[S@@](=O)c2nc3cc(C(F)(F)F)ccc3[nH]2)c1N 28231015 KSVYVVBXEROINW-VWLOTQADSA-N 367.396 4.089 0 1 FIAF O=S(=O)(c1ccc(/C=C/c2cccc(F)c2)nc1)c1ccccc1F 28889302 NHBSENMOHAEDAT-CMDGGOBGSA-N 357.381 4.363 0 1 FIAF Cn1cnc2c(Nc3ccncc3)nc(-c3ccc4ccccc4c3)nc21 45194461 QHHLQFITTIKWRK-UHFFFAOYSA-N 352.401 4.322 0 1 FIAF O=C(N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1cccc(F)c1 45302722 KIPNWLFESMGNBV-MRXNPFEDSA-N 369.827 4.036 0 1 FIAF COc1ccc(-c2cc([C@H](C)C(=O)O)ccc2C[C@@H]2CCCC2=O)cc1 72104863 MUMHZZLGKYTZBE-KSSFIOAISA-N 352.430 4.462 0 1 FIAF COc1cccc(CNC(=O)c2c[nH]c3cc(-c4ccncc4)ccc23)c1 73168899 VLGGZKWVODZVTH-UHFFFAOYSA-N 357.413 4.169 0 1 FIAF O=c1[nH]c2cc(Br)ccc2c2[nH]c(-c3ccccc3Cl)nc12 73222628 WTAIERVWPQNXDM-UHFFFAOYSA-N 374.625 4.487 0 1 FIAF Cc1ccc(C)c(NC(=O)c2nc(C)c(C)nc2C(=O)OCCC(C)C)c1 103167982 PMGSQKPNTARLLE-UHFFFAOYSA-N 369.465 4.165 0 1 FIAF CCC[C@H]1C(=O)NN=C(c2ccc3nc(-c4cccs4)oc3c2)[C@@H]1C 168874235 FRUIDBNUFPRLQQ-DGCLKSJQSA-N 353.447 4.443 0 1 FIAF O[C@H]1CCCC[C@H]1NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 204408199 NTYZXTNKVFVCDZ-MSOLQXFVSA-N 350.384 4.161 0 1 FIAF COc1cc([C@H]2O[C@@H](c3cc(O)c(OC)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O 213870439 IEXPORSGDXJAPE-BKMURAPUSA-N 374.433 4.208 0 1 FIAF C/C=C(/C)C(=O)OC/C=C/c1cc(OC)c(OC(=O)/C(C)=C\C)cc1OC 238751873 GRVXDVYRXHDMFS-XFQHEFLPSA-N 374.433 4.098 0 1 FIAF O=c1c2c3c(sc2ncn1Cc1ccc(Br)cc1)CCC=C3 473081275 BNWHVMNWXFENSC-UHFFFAOYSA-N 373.275 4.228 0 1 FIAF Fc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1F 587116102 NMKBYAWPYGLJEG-UHFFFAOYSA-N 350.250 4.470 0 1 FIAF Cc1cc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c(C)n1 587116206 TXLPKSYGRMFQEN-UHFFFAOYSA-N 371.160 4.418 0 1 FIAF N[C@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc(F)cc1F 587152071 YNORGERHSWKVDD-FQEVSTJZSA-N 365.383 4.468 0 1 FIAF C[C@@H](CSc1ccc(F)cc1)c1nc2nc(Br)c[nH]c-2n1 587170566 QKNVRCCOOGOPHG-QMMMGPOBSA-N 367.247 4.102 0 1 FIAF O=C(N[C@@H](c1ccccc1)c1nc2cc(F)c(F)cc2[nH]1)c1ccccc1 587217743 FFUSSVFWRJWOHH-IBGZPJMESA-N 363.367 4.361 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1CN1CCCCC1)O2 587398968 JUZJZDFZIREVTC-OAQYLSRUSA-N 350.462 4.270 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3[nH]c(CC)cc3c1)CC2=O 587478661 BDGHLRDQLHPODE-LJQANCHMSA-N 350.418 4.490 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(C(=O)O)ccc31)CC2=O 587489625 ONOYTBVJFJDTCQ-QFIPXVFZSA-N 366.413 4.240 0 1 FIAF Cc1ccc(Cl)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587498540 IXRDIHQIIDCQQE-NRFANRHFSA-N 367.832 4.340 0 1 FIAF COC(=O)c1cccc2c1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522817 HWOJBKOZPQQJMV-HSZRJFAPSA-N 362.425 4.159 0 1 FIAF CCOC(=O)C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526364 SPNCWSSQPQJWDY-QHCPKHFHSA-N 364.441 4.379 0 1 FIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)n1 587554407 XHABURLOKDMHPH-XLIONFOSSA-N 367.788 4.452 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc[nH]n2)o1 587596744 RRSDHSDVZIOXDI-GHTZIAJQSA-N 374.352 4.078 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COc2ccccc2F)N1 587726280 HWYMQKKNPYDWBT-HWPZZCPQSA-N 368.221 4.382 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(F)c2)N1 587729442 GXQKDLUYHWAASV-ZKANADHPSA-N 354.194 4.057 0 1 FIAF CC(C)Cn1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587756290 CYRVKMYUQFRRSL-APPDUMDISA-N 366.278 4.064 0 1 FIAF Cc1[nH]c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587789054 BJLFXAVJQNASJT-WNWIJWBNSA-N 351.263 4.465 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(Br)nc2[nH]1 587929833 MWPYKHXSHBXEMD-APPDUMDISA-N 358.239 4.174 0 1 FIAF Cc1cc(N)c2ccc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)cc2n1 653670140 HMEOCCVJPIDHBU-UHFFFAOYSA-N 372.432 4.208 0 1 FIAF Cc1cc(Cl)ccc1O[C@H](C)[C@@]1(C)NCCc2c(C(=O)O)cccc21 963135052 WAGVGDZXUSUIIE-ZUOKHONESA-N 359.853 4.175 0 1 FIAF CC1(C)CN(Cc2c(-c3ccccc3)[nH]c3ccnc(Cl)c23)CC[C@@H]1O 1772583741 GZKBSEUJYGWRFJ-KRWDZBQOSA-N 369.896 4.476 0 1 FIAF O=C1c2ccccc2C[C@@H]1CCN1CCCN(c2ccc(Cl)cc2)CC1 1857585716 NFXJKWYVTYIEJD-SFHVURJKSA-N 368.908 4.297 0 1 FIAF CC1(Cn2cc(-c3cccc(C(N)=S)c3)c3ccc(CO)cc32)CC1 1857589009 WOPVTIYXYUHCRY-UHFFFAOYSA-N 350.487 4.235 0 1 FIAF CCC=CCC=CCC=CCCCCCCCC(=O)OC[C@H](O)CO 2356399750 GGJRAQULURVTAJ-HXUWFJFHSA-N 352.515 4.472 0 1 FIAF CCCCC[C@@H]1C[C@]2(C[C@@H]1CO)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)CCC[C@@]1(O)C2 2356610314 XVHRUBGFWRGWRV-NXPXZATMSA-N 364.570 4.284 0 1 FIAF COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CCCCCCCC(=O)C2 2356852209 QOALZZHOUUWFGS-LBPRGKRZSA-N 368.857 4.455 0 1 FIAF COc1cc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2C)ccc1F 12474662 DOZLGCDBIUCXPZ-UHFFFAOYSA-N 373.380 4.491 0 3 FIAF O=C1c2c(O)cccc2C(C(=O)c2cc3ccccc3[nH]2)c2cccc(O)c21 589795 XAIKNMHKBKJEFA-UHFFFAOYSA-N 369.376 4.138 0 1 FIAF CC(C)Cn1c(=O)c2ccccc2n2c(-c3cccc(Cl)c3)nnc12 6781304 ILZBQEDDJQXKRB-UHFFFAOYSA-N 352.825 4.021 0 1 FIAF COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4ccco4)C3)c2C)cc1 12603415 PLVRKPSDZOAOFL-QZTJIDSGSA-N 363.461 4.293 0 1 FIAF biogenic CCc1nc(N)nc(N)c1-c1ccc(Cl)c(N(C)Cc2ccccc2)c1 13838527 KCDGAWMTJFRVMI-UHFFFAOYSA-N 367.884 4.160 0 1 FIAF O=C(N[C@H]1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 26500582 VOJBNFJZPAQMQW-NRXKURHUSA-N 366.549 4.026 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27410456 ZOIUUCNFVDJSJK-RJXLCHRZSA-N 374.569 4.039 0 1 FIAF COc1cc2c(cc1OC)[C@@H](C[C@H](O)c1ccc(Cl)cc1)N(C)CC2 28523861 MSXJZHUTIDWQBZ-MSOLQXFVSA-N 361.869 4.010 0 1 FIAF Nc1cc(F)c(Sc2ccccn2)cc1C(=O)Nc1cccc(F)c1 45390608 RNALGCCOARIWOM-UHFFFAOYSA-N 357.385 4.346 0 1 FIAF CCCCNC(=O)N1CCCN(C(c2ccccc2)c2ccccc2)CC1 49525621 FFHUYSBLLHFVAT-UHFFFAOYSA-N 365.521 4.293 0 1 FIAF Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccco2)sc1C 82165685 LYFHOGZYINRXTO-ZDUSSCGKSA-N 356.451 4.068 0 1 FIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccccc3)C[C@@H]1O2 95556341 YMTGWKCHKZWDJJ-YWMUFLPLSA-N 365.473 4.319 0 1 FIAF CCCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(C)cc2)C1=S 95872948 DGXMXXZQYLUWRU-UHFFFAOYSA-N 360.479 4.178 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(OC)c3)cc2)C[C@@H]2CC[C@@H]1N2C 169311702 YAWYTOJUXFKJAW-FKVLARQCSA-N 365.473 4.102 0 1 FIAF O=C(NCc1ccc(Oc2ccccc2)cc1)[C@@H]1CCOc2ncsc21 220878903 UVQNMOMYIJWKRY-QGZVFWFLSA-N 366.442 4.118 0 1 FIAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(C(N)=O)cc4[nH]3)c2)cc1 586879639 HTSNCYMRRHGYIN-UHFFFAOYSA-N 355.397 4.198 0 1 FIAF Cc1ccc(-n2ccnc2SCc2nc3cccc(O)c3[nH]2)c(C)c1 586966019 BHVROZQJXGGYKX-UHFFFAOYSA-N 350.447 4.363 0 1 FIAF O=C1CCc2cc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c3cc2N1 587022490 ZPQCJAWUZNXSCX-UHFFFAOYSA-N 360.442 4.162 0 1 FIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1 587112955 MVKKCNLBKNGNAV-UHFFFAOYSA-N 354.353 4.042 0 1 FIAF Cc1cnc(Cl)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc12 587119744 WAOMLOHJFQBBJC-UHFFFAOYSA-N 355.751 4.061 0 1 FIAF COc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1OC 587134148 JNWDUOKHUCQVKM-UHFFFAOYSA-N 358.316 4.092 0 1 FIAF CCOC(=O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587135411 ZJPWDGUWMICVAX-UHFFFAOYSA-N 370.327 4.252 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C(=O)OCC)C1CCCC1)CC2=O 587477503 CRSQVAJBKWEZEA-DENIHFKCSA-N 374.477 4.438 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccccc3)no1)CC2=O 587485205 QIQFQSSSHJTNPY-QGZVFWFLSA-N 350.374 4.101 0 1 FIAF O=C(Nc1ccc(Cl)c(Cl)c1)n1ncc2ccc(Cl)cc2c1=O 587650926 HRUYCKKPTGTWJF-UHFFFAOYSA-N 368.607 4.437 0 1 FIAF CCCn1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587757376 VBOLVDLBKPYYPD-GTNSWQLSSA-N 351.263 4.423 0 1 FIAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(Br)cc2[nH]1 587787314 NMKPROVHYUTXCP-UHFFFAOYSA-N 373.250 4.458 0 1 FIAF COc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587812221 YNWVXFJRAYNKOT-BBATYDOGSA-N 364.258 4.395 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2ccccc2)N1 587816382 XKVJWFIVWHFFCQ-ZMZPIMSZSA-N 362.242 4.221 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(Cl)cn1 587861079 MGHSARODZCLHNQ-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF CCOc1ccc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874020 SKXBGDQALUYIPM-GFCCVEGCSA-N 368.364 4.301 0 1 FIAF Cc1cc(-n2nc3cc2Oc2ccc(F)cc2-3)nc(-c2ccccc2O)n1 587875633 SVYPUNLPYIWTRS-UHFFFAOYSA-N 360.348 4.255 0 1 FIAF COc1ccc(CNc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 621431282 ZVZBHACPAGIJBB-UHFFFAOYSA-N 363.442 4.044 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)C2(CCN(C(=O)OCC(C)C)CC2)N1 962947793 KHKKZFWBEGITIF-INIZCTEOSA-N 369.509 4.176 0 1 FIAF CN1Cc2ccc(Nc3nnc(-c4cccc(-c5cccnc5)c4)o3)cc2C1 1772607738 GMMWCNOUOBLSNM-UHFFFAOYSA-N 369.428 4.488 0 1 FIAF O=c1ccc2ccc(OC[C@@H]3CC(c4ccc(Cl)cc4)=NO3)cc2o1 1772656355 VYPYYEQICSUYTC-INIZCTEOSA-N 355.777 4.018 0 1 FIAF COc1ccc2c(O)c(Cc3cc(OC)c(OC)c(OC)c3)ccc2c1 1857585783 VYFWBHVSCDXHCW-UHFFFAOYSA-N 354.402 4.171 0 1 FIAF Cc1c(-c2nsc(=O)o2)c(=O)oc2cc3occ(C4CCC4)c3cc12 1857603669 GDXRHRGDWMOKAF-UHFFFAOYSA-N 355.371 4.192 0 1 FIAF O=C(c1ccc(-c2cccc(CO)c2)s1)c1cc(F)c(F)c(O)c1F 1857648211 ZTKZDUOBYIMGIN-UHFFFAOYSA-N 364.344 4.261 0 1 FIAF Cc1ccccc1-n1c(CC(=O)c2ccccc2)nc2ccccc2c1=O 1848187 WFOVYFPUMALQCW-UHFFFAOYSA-N 354.409 4.120 0 1 FIAF Cc1ccc2oc(=O)c3cc(C(=O)N(C)Cc4ccco4)sc3c2c1 4939833 LCVFLDAMLMIUAO-UHFFFAOYSA-N 353.399 4.181 0 1 FIAF O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)N1CCCC1 5025953 BQONVNIBAYXKRX-UHFFFAOYSA-N 360.910 4.482 0 1 FIAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](n1ccnc1)[S@](=O)C(C)(C)C 102001271 GOSHMJDRYBNRAC-VBURHUQHSA-N 354.903 4.360 0 1 FIAF CC1(C)CC2=Nc3ncnn3[C@@H](c3ccc(Br)cc3)C2=C(O)C1 103538695 POJKXHZMFFYLMT-HNNXBMFYSA-N 373.254 4.348 0 1 FIAF CC(C)(C)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 137021712 NZCDHAXKMOJPJV-FUVOQIETSA-N 358.478 4.219 0 1 FIAF NC(=O)c1ccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1 144745805 FRPWDZCNAXVRHB-FQEVSTJZSA-N 369.342 4.231 0 1 FIAF COc1ccnc(Nc2cc(C)cc(-c3cccc(CCC(=O)O)c3)c2)n1 145295587 PNNFNMKKVMTRQB-UHFFFAOYSA-N 363.417 4.221 0 1 FIAF CCC[C@H]1C(=O)NN=C(c2ccc3nc(-c4ccsc4)oc3c2)[C@@H]1C 168984040 OAFGQUBRBHVDOG-BXUZGUMPSA-N 353.447 4.443 0 1 FIAF COC(=O)c1cc2[nH]c(-c3cccc(-c4ccccc4)c3O)nc2cc1OC 586896429 LPUGAMDBOCUDME-UHFFFAOYSA-N 374.396 4.398 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4ccc(F)cc4[nH]3)n2C)cc1 586965056 DVZHUVKERNINAO-UHFFFAOYSA-N 353.426 4.098 0 1 FIAF COC(=O)c1cc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2cc1OC 587080238 LJVACFLWAIBTIA-UHFFFAOYSA-N 369.808 4.015 0 1 FIAF Nc1ccc(C(=O)CCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 587251249 DHNMUYIQTDKKFU-UHFFFAOYSA-N 369.424 4.192 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc3cc(Cl)ccn13)O2 587380884 XTDPCIUORBJEER-CYBMUJFWSA-N 362.216 4.238 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(OC)cc(C)c(Cl)c1C)[C@@H](C2)C3=O 587421385 LKJXLEUFEZFPMC-RNODOKPDSA-N 358.821 4.463 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)n(C)c4ccccc14)[C@@H](C2)C3=O 587422965 RWAWQCQJCDJDRB-ORAYPTAESA-N 353.805 4.329 0 1 FIAF CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587447204 NPXIOOSPHYFTEO-JHXCZCQZSA-N 370.445 4.039 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(CN=O)=COc2ccccc21 587470013 RRGKXDASFLZCGJ-NRFANRHFSA-N 365.385 4.248 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)C[C@H](C)N3C)CC2=O 587475446 LYLSNCOYYAVOHY-ZSEKCTLFSA-N 351.446 4.432 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccnn1-c1ccccc1)CC2=O 587482141 ZFKJDTYPLLCVOI-QFIPXVFZSA-N 362.429 4.411 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1Cl 587540991 CQRPVMHYDDLQQY-FXAWDEMLSA-N 368.772 4.454 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(Cl)c1 587550483 WMRQKOHLDNBXIU-FXAWDEMLSA-N 368.772 4.454 0 1 FIAF Cc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615314 WBCYJUMQZFULGV-YJBOKZPZSA-N 353.399 4.168 0 1 FIAF CC(=O)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623615 JXQITCBVQZDYPC-UHFFFAOYSA-N 355.195 4.071 0 1 FIAF COC(=O)CCCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587805586 HWXKGZRZHHUJHQ-BDJLRTHQSA-N 372.278 4.287 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]32)N1 587826715 IPKAWKLLMZXUDW-MNWQPTLLSA-N 350.275 4.384 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCOC(C)(C)C2)N1 587835604 WLHKPSLAWWSGST-RSAASHCRSA-N 356.279 4.369 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc2cccnc12 587870349 FMINBMDWFKQRLZ-UHFFFAOYSA-N 361.376 4.325 0 1 FIAF O=C(CCc1ccccc1)c1nc2c(Cl)ncc(Br)c2[nH]1 587953693 QRTZJCVNAKSMGN-UHFFFAOYSA-N 364.630 4.189 0 1 FIAF Cc1cc2c(cc1F)[C@](c1ccc(OC(C)C)cc1)(c1ncco1)NCC2 962147528 PKAUPXMPLLFICO-JOCHJYFZSA-N 366.436 4.347 0 1 FIAF Nc1c(C(=O)Nc2ccccc2Cl)sc2nc3c(cc12)[C@H](O)CCC3 1772590157 VOWPNQVJTQHQJZ-CQSZACIVSA-N 373.865 4.154 0 1 FIAF COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2cccc(OC)c2)cc1 1857772942 PONRWVFWPVHAGJ-UHFFFAOYSA-N 373.408 4.100 0 1 FIAF CC=CC=CC=CC(=O)O[C@@H]1C=C2COC[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356438625 NBSRXDQGLXGTEV-WENLIBGGSA-N 372.505 4.121 0 1 FIAF CC(C)c1csc(CN2CCC(CO)(Cc3cccc(F)c3)CC2)n1 13594059 LDADDYNNXFUSIR-UHFFFAOYSA-N 362.514 4.223 0 3 FIAF COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@H]1c1sccc1C 75402960 KGDQRWDMFNBNTH-SUMWQHHRSA-N 362.882 4.228 0 3 FIAF FC(F)(F)c1nc2c3c(ccc2[nH]1)CC[C@@H](CNCc1ccccc1)O3 13586899 JFFIIIVILGKQSZ-AWEZNQCLSA-N 361.367 4.065 0 1 FIAF CCC[C@@H](Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 27525189 LPGHAOYTYMGNPQ-LJQANCHMSA-N 355.434 4.117 0 1 FIAF CCCC(=O)Nc1c2c(nc3ccccc13)CCN(C(=O)c1ccccc1)C2 29252397 JTFVRWLXKWUJOV-UHFFFAOYSA-N 373.456 4.172 0 1 FIAF CCCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F 40875042 FSGKBYXZOHABIW-UHFFFAOYSA-N 353.752 4.437 0 1 FIAF Cc1nc2c(N[C@@H]3CCc4ccccc43)cc(-n3ccccc3=O)cn2c1C 40972946 OLCABARHEDJPQC-HXUWFJFHSA-N 370.456 4.201 0 1 FIAF CC(=O)Nc1ccc(Nc2nccc(Nc3ccc4c(c3)CCC4)n2)cc1 64499499 LSOHQSBKCAGQHK-UHFFFAOYSA-N 359.433 4.411 0 1 FIAF CCCn1cc(-c2ccccc2)nc1[C@@H]1C[C@@H]1c1nc2c(C)ncc(C)n2n1 96177991 IJCQEHMWMZVVTK-ZWKOTPCHSA-N 372.476 4.286 0 1 FIAF O=C1NC(=O)/C(=C/c2cccc(OCCc3ccccc3)c2Cl)S1 115792216 KLOXXQBDQVGUQG-PTNGSMBKSA-N 359.834 4.285 0 1 FIAF Cc1nc(NCCCC(C)(C)CO)cc(-c2ccc3ncsc3c2)n1 141917690 BJSVZEMODISAHE-UHFFFAOYSA-N 356.495 4.272 0 1 FIAF N=C(N)Nc1cccc(Nc2ccc(NC(=N)Nc3ccccc3)cc2)c1 169331172 SDQFVLOGPNSFPX-UHFFFAOYSA-N 359.437 4.194 0 1 FIAF O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 169332701 CUBPKSUGCMULEZ-UWQNPUKESA-N 350.458 4.286 0 1 FIAF CCC[C@@H](C)COc1ccc([C@H](CO)NC(=O)[C@H](C)c2ccccc2)cc1 299860638 GXJPLTPOMVKXAT-HMFYCAOWSA-N 369.505 4.455 0 1 FIAF COC(=O)c1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cn1 587145193 KZMRFUVBTQQRQV-UHFFFAOYSA-N 365.339 4.357 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ncc1Br)O2 587374874 ZRTMMWCNRKQQAJ-ZDUSSCGKSA-N 367.630 4.095 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(Br)c1F)O2 587381553 IWRHHQWYXNLLHD-CYBMUJFWSA-N 368.177 4.324 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(C(F)(F)F)c1)O2 587382443 PTPZZKBFCPQIPN-QGZVFWFLSA-N 351.324 4.182 0 1 FIAF CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587400916 SKSXRIGUHFTDOR-NRFANRHFSA-N 355.434 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)ccc1OC(F)F)[C@@H](C2)C3=O 587420914 IDAHKVPIGKCVBJ-VBKZILBWSA-N 360.356 4.268 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ncc(C(F)(F)F)cc14)[C@@H](C2)C3=O 587423227 SIQXVHBSYGPEAH-YVEFUNNKSA-N 374.318 4.079 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ncccc1Br)CC2=O 587458374 SJOMAOGQEOZLBX-OAHLLOKOSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc(C)on1)CC2=O 587468625 ADKOWZSLRBFMSZ-SFHVURJKSA-N 352.390 4.138 0 1 FIAF C[C@@H]1c2ccccc2C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604701 VKAFJLNBGNGLGH-IJIZOXLDSA-N 358.393 4.452 0 1 FIAF CC1(C)C[C@]2(C)O[C@@H]2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587609548 NJMDFHKUHXJPSM-PWZKMPOXSA-N 366.413 4.070 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)cc(F)cc2F)N1 587723136 WACIKOBLQWONOD-GYKQLYQFSA-N 371.200 4.072 0 1 FIAF CC(C)(C)c1ccc(-c2cc(O)n(-c3cc(O)cc(C(=O)O)c3)c2O)cc1 587927499 VJEMUBJIEOQYFA-UHFFFAOYSA-N 367.401 4.257 0 1 FIAF COCCCN1CCc2ccc(OC)cc2[C@H]1c1cc2ccccc2cn1 961325841 QDQZVDSQYOPDHB-QHCPKHFHSA-N 362.473 4.227 0 1 FIAF Cc1c(F)ccc2c1[C@H](c1ccc(-c3ccccc3C(=O)O)o1)NCC2 962149390 VUBQEWFVTKYINZ-FQEVSTJZSA-N 351.377 4.327 0 1 FIAF COc1ccc2ccccc2c1-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1 1772628690 OAVFWONTXQVCLK-UHFFFAOYSA-N 367.412 4.431 0 1 FIAF CCCCCc1ccc(C(=O)Nc2ccc3[nH]c(=N)n(CC)c3c2)cc1 1857537764 ZQQSUQSKDMMYCE-UHFFFAOYSA-N 350.466 4.454 0 1 FIAF CCc1nc2ccc(C(=O)N3CCCCC3)cn2c1N(C)CCC(C)C 1857616127 CROURFWQKUOBMZ-UHFFFAOYSA-N 356.514 4.005 0 1 FIAF CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)C[C@@H]1C[C@H](C)C(=O)O1 2356404646 SVOIVAHAKDYEOL-UONOGXRCSA-N 368.385 4.206 0 1 FIAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N(C)Cc1ccccc1 2356713341 GBZQKMGRSYPQBX-CYBMUJFWSA-N 370.836 4.321 0 1 FIAF COc1ccc([C@H]2N=Cc3cccn3[C@@H]2C(=O)c2cccc(OC)c2)cc1 2382218902 SGDLTMZQYZMLHK-RTWAWAEBSA-N 360.413 4.103 0 1 FIAF O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCCN(Cc2ccco2)C1 11708584 RIIPRXIJGXHVIW-KRWDZBQOSA-N 350.418 4.390 0 3 FIAF Oc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)O[C@H](CCc1ccccc1)C2 95568076 BOSCNFLCRDLDAA-APWZRJJASA-N 354.837 4.432 0 3 FIAF CN(C)c1ccc2cc3c(c(S(=O)(=O)c4ccccc4)c2c1)CCC3 206060553 PGSRFBDJWJUTJE-UHFFFAOYSA-N 351.471 4.227 0 3 FIAF OCCCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 26188771 ROJBEJDCJFFGNV-PZJWPPBQSA-N 358.432 4.047 0 1 FIAF N=C(N)c1cccc(CCCNC(=O)c2ccc(-c3ccccc3)cc2)c1 26291155 AWMWSVCOVDICTO-UHFFFAOYSA-N 357.457 4.000 0 1 FIAF COC(=O)c1ccc(OC)c2oc(C(=O)Nc3ccc(Cl)cc3)cc12 45355331 QSJZSDVLFTUDRV-UHFFFAOYSA-N 359.765 4.134 0 1 FIAF COC12CC3C[C@H](C1)C(NCCNC/C=C(\C)CCC=C(C)C)[C@H](C3)C2 101841393 DKSVVLHOQIFIEX-XVCNOJKISA-N 360.586 4.452 0 1 FIAF CSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccnc1 103663493 NLZAIXJWSJNEHQ-ZDUSSCGKSA-N 367.478 4.026 0 1 FIAF COc1ccc(-c2noc(CCCCCCC(=O)C(F)(F)F)n2)cc1 141515786 XUNMUTLLECBBTD-UHFFFAOYSA-N 356.344 4.370 0 1 FIAF O=C(C[C@H](C(=O)Nc1ccccc1)n1ccnc1)c1cccc2c1CCCC2 169340247 QYQMHIHKNOEOLE-OAQYLSRUSA-N 373.456 4.215 0 1 FIAF C[C@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@@H]1c1ccccc1 169343388 IRDDNKFJTNXDHC-OTYXRUKQSA-N 365.212 4.421 0 1 FIAF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 169372231 SGGGMRQESKILIB-PATPHXSYSA-N 370.489 4.466 0 1 FIAF N=C(N)c1ccc(-c2oc(-c3ccc(C(=N)N)cc3)c(Cl)c2Cl)cc1 196125455 WPDZKCXSXXLWKS-UHFFFAOYSA-N 373.243 4.489 0 1 FIAF Cc1nc2[nH]c(CNc3ccccc3Cl)nc2cc1Br 587060944 XCBAREJYRJZWFL-UHFFFAOYSA-N 351.635 4.294 0 1 FIAF C[C@@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587158360 WXUFCAHREJRIPO-INIZCTEOSA-N 365.195 4.195 0 1 FIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587175397 RIMYODZSUGNPEW-NSHDSACASA-N 364.758 4.357 0 1 FIAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(C(C)(C)C)c2[nH]1 587193913 IKJJISKYCDNBMD-INIZCTEOSA-N 374.529 4.378 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccnc3C(=O)O)cc1)O2 587393182 CTITXALKNKZEGE-IBGZPJMESA-N 374.396 4.044 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCc4[nH]c5ccc(C)cc5c4C1)[C@@H](C2)C3=O 587437727 JMRCHVIEIWAWPG-SBUREZEXSA-N 359.425 4.160 0 1 FIAF CN(C)C(=O)Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510174 FVPNRMZDVFAIFS-HXUWFJFHSA-N 365.429 4.332 0 1 FIAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518681 NCWJGJQPOZEISG-MFKICJERSA-N 369.461 4.053 0 1 FIAF C[C@@]1(Cc2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567358 GTJHRAZZXRQRDR-UGKGYDQZSA-N 364.372 4.494 0 1 FIAF Cc1c(-c2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648932 JTECDWVBAHJLIF-UHFFFAOYSA-N 364.264 4.309 0 1 FIAF Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)o1 587659874 HIXOKFLYQRQQMI-UHFFFAOYSA-N 362.360 4.101 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2F)N1 587725121 NTGOBSBATWVBFN-VVVCHXIZSA-N 368.221 4.231 0 1 FIAF COC[C@@]1(C2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587792642 LSRGVQGALYMHEK-DIFFPNOSSA-N 356.279 4.154 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccncc23)N1 587805245 SQTXEYBLIOBBCO-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2)N1 587835457 WXGAAAWBRUHJIG-BMLIUANNSA-N 350.231 4.092 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Br)cn1 587869964 WMFOOUNGIIKRSR-UHFFFAOYSA-N 362.202 4.235 0 1 FIAF COC(=O)[C@H]1CCc2occc2[C@]12NCCc1cc(-c3ccccc3)ccc12 962659026 AEJCIAZWEAJWKM-QPPBQGQZSA-N 373.452 4.071 0 1 FIAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1ccc(N2CCCC2)o1 962697807 GQWYGPGESHHFQF-YCRPNKLZSA-N 372.509 4.472 0 1 FIAF COc1cc(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3n2)cc(OC)c1OC 1772624946 HNMRIPWPQMCJST-JKSUJKDBSA-N 363.413 4.247 0 1 FIAF Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1N 1857551491 CGFLLZSEVGIAJY-UHFFFAOYSA-N 357.373 4.220 0 1 FIAF CC(C)=CCCC(=CCC[C@@H](CCCC(C)=CCO)C(=O)O)C(=O)O 2356766271 UAVZQXWDYAGFFJ-GOSISDBHSA-N 352.471 4.334 0 1 FIAF CCO[C@@H]1C[C@H](c2ccc3c(c2)C(=O)C[C@](C)(O)C3)c2c(OC)cccc21 2356854779 RSHNJIADZFGREQ-JMUQELJHSA-N 366.457 4.188 0 1 FIAF Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1 15942522 WOCBRAOCCBHLQE-UHFFFAOYSA-N 368.458 4.353 0 3 FIAF COc1ccccc1NC(=O)Nc1nc([C@@H](N)C2CCCCC2)cs1 61905570 FVJJBMDXOLCCAN-INIZCTEOSA-N 360.483 4.376 0 3 FIAF C[C@@]1(C(=O)Nc2cccc3cccnc23)CCN1C(=O)CCC1CCCC1 61905872 DHYKUHGEPRZGBG-QFIPXVFZSA-N 365.477 4.135 0 3 FIAF COCCN1C(=O)COCc2cc(-c3csc4ccccc34)ccc21 74374739 BYSGIUHLEKEZEM-UHFFFAOYSA-N 353.443 4.078 0 3 FIAF Cc1ccc2c(OCc3ccccn3)nn3c(-c4ccccc4)nnc3c2c1 13560015 YBHYYGMWUGITQS-UHFFFAOYSA-N 367.412 4.227 0 1 FIAF O=C(O)c1ccc(C(=O)O)c2nc(/C=C/c3ccccc3Cl)ccc12 28957902 TZQDNKDKNBHXPV-AATRIKPKSA-N 353.761 4.455 0 1 FIAF Clc1cccc(Nc2nccc(-c3cccc(N4CCOCC4)c3)n2)c1 29126192 MWFXGZDXDDTAOV-UHFFFAOYSA-N 366.852 4.377 0 1 FIAF Cn1ccnc1Sc1cnc(-c2ccccc2)nc1-c1ccccc1O 29128167 QJONLGBFCZDMOX-UHFFFAOYSA-N 360.442 4.401 0 1 FIAF CCOC(=O)[C@H](CCCCCCOc1ccc(OC)cc1Cl)C(C)=O 32138967 WAICTHOQAVURHA-MRXNPFEDSA-N 370.873 4.446 0 1 FIAF COc1ccccc1Nc1nnc([C@@H](O)c2ccc(SC)cc2)s1 82083324 KNEFPEDCASQJGH-HNNXBMFYSA-N 359.476 4.094 0 1 FIAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCCCC3)[C@@H]2CNC(C)C)cc1 95871945 XXMZFPVGNJARDM-KFZFXCNASA-N 370.581 4.427 0 1 FIAF OC1(c2ccc(F)cc2)C[C@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185064 LEBXHMQTGORPIS-RTBURBONSA-N 350.437 4.322 0 1 FIAF O=C(OC1[C@H]2CC[C@@H]1[C@H]1CN(CCc3ccccc3)C[C@H]21)c1ccccc1 103128750 MWVAYBRVMWOVBX-HOJNNBGMSA-N 361.485 4.043 0 1 FIAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(F)cc(F)c3CC[C@@H]21 117629508 QQXUKQJRPQLZTL-QRWLVFNGSA-N 367.399 4.176 0 1 FIAF C[C@@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 169372537 CEQYMIBPHSHBNB-BFSRMLIZSA-N 356.462 4.076 0 1 FIAF CC(=O)N[C@H](C)c1ccc(OC2CN(c3ccc(C(C)(C)C)cc3)C2)cc1 169694397 DQVXTHRIKLWKCN-MRXNPFEDSA-N 366.505 4.449 0 1 FIAF O[C@@H]1CCCC[C@@H]1NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 204410265 NTYZXTNKVFVCDZ-ZWKOTPCHSA-N 350.384 4.161 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]2Cc3cc4c(cc3[C@H]21)OCO4 299822460 ABNCXZLRMPDLES-BLVKFPJESA-N 354.381 4.096 0 1 FIAF O=C1c2ccccc2-c2cc(C[C@@H]3CCCCC3=O)nc3ccc(O)c1c23 586989511 ABJVDQJOAOJUJW-ZDUSSCGKSA-N 357.409 4.454 0 1 FIAF CCOC(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587022481 ZNLXNXLUTFEBRZ-UHFFFAOYSA-N 363.442 4.454 0 1 FIAF CC(C)(C)C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350980 IUJRGOKPEHDISX-LAUBAEHRSA-N 372.392 4.150 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc(-c3ccccc3)cc1)O2 587408573 PQBSRBNNWHBBOV-HSZRJFAPSA-N 373.408 4.190 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccnc1Cl)[C@@H](C2)C3=O 587418238 BPOABQQOHDBFHD-DJJJIMSYSA-N 366.804 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCCCC4)cc1)[C@@H](C2)C3=O 587445907 YZQXCCJDBABEGY-WMZHIEFXSA-N 363.457 4.348 0 1 FIAF CC(=O)OC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505915 QTVWUEFEJYHUFI-QFIPXVFZSA-N 368.404 4.128 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c([nH]1)CCCC2 587586404 CBJSLFXOTSFAGC-KNQAVFIVSA-N 361.397 4.302 0 1 FIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1cc(Cl)cnc1Cl 587649621 RJEAOZTZXOPUHU-UHFFFAOYSA-N 355.246 4.249 0 1 FIAF CCN(/C=C(\F)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)CC 587707236 UXTHZYDZJFRCDX-SNGOGSRNSA-N 359.258 4.316 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2OCC3)N1 587832079 AXVBAXLWPPBUFU-BMLIUANNSA-N 362.242 4.147 0 1 FIAF CC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587832579 JYBVIENIDJMYTP-ZMZPIMSZSA-N 364.258 4.482 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1nc3ccc(Cl)cc3[nH]1)N(C)[C@@H](C)C2 962568682 LFNNUNAPLJMVPP-JEOXALJRSA-N 371.868 4.199 0 1 FIAF COc1ccc2c(c1OC)[C@@H](c1cc(Cl)cnc1Cl)N(C)[C@@H](C)C2 962573337 RFOXAIDKUXIZQK-MGPLVRAMSA-N 367.276 4.371 0 1 FIAF Cc1ccnc2c1CCN[C@@]2(c1ccccc1)c1oc2cc(N)ccc2c1C 963069339 DPGBZAZUVACWHU-XMMPIXPASA-N 369.468 4.464 0 1 FIAF COc1ccc(CNc2nc(NC(C)C)nc3ccccc23)cc1OC 1772636834 DWVMMOWLQGQFHO-UHFFFAOYSA-N 352.438 4.079 0 1 FIAF CCN(CC)Cc1cccc([C@H]2CC(=O)c3cc(OC)c(OC)cc3O2)c1 1857657063 XWNQMRQGBQDVTF-LJQANCHMSA-N 369.461 4.252 0 1 FIAF CC(=O)OCC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356530072 BEDVMNFREUAOFL-HKZQYKGFSA-N 374.521 4.059 0 1 FIAF CC(C)CNc1nccc(=NCc2ccc(-c3ccc(F)cc3)s2)[nH]1 2382216306 CFNXDTZXTVJEOP-UHFFFAOYSA-N 356.470 4.446 0 1 FIAF Clc1ccc(-c2nnc(-c3ccccc3)nc2N2CCSCC2)cc1 721180 MQIDYIRAWIJBEM-UHFFFAOYSA-N 368.893 4.412 0 3 FIAF aggregator O=C(c1cc(-c2ccco2)nn1-c1cccc(Cl)c1)N1CCCCC1 734721 NINDOYIZKDYQNK-UHFFFAOYSA-N 355.825 4.412 0 3 FIAF Cc1ccc(CSc2nc3ccc(C(=O)N4CCCC4)cc3n2C)cc1 6748614 RGAJTBJFBPOAHT-UHFFFAOYSA-N 365.502 4.410 0 1 FIAF O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc4ncoc4c3)ccc21 14977244 OSMZPSCTDMDVAT-HNNXBMFYSA-N 367.401 4.180 0 1 FIAF O=C(O)[C@H]1Cc2c(c(Cl)c(Cl)c3nc(-c4ccccc4)oc23)O1 26647742 HITNACNUGCINNG-SECBINFHSA-N 350.157 4.190 0 1 FIAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 82132500 YKUKLFALWCLPGQ-VQIMIIECSA-N 364.493 4.052 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 82142101 GDSMGVSROVZFDH-DZKIICNBSA-N 356.470 4.256 0 1 FIAF O=C1c2ccccc2N(Cc2ccccc2)C(=O)CN1CC1CCCCC1 95560423 KBSSJHJYQUTQOM-UHFFFAOYSA-N 362.473 4.256 0 1 FIAF O=C1N(Cc2ccc(Br)cc2)c2ccccc2[C@]12CCCO2 95588329 TYDIAEUMRWQYJE-GOSISDBHSA-N 358.235 4.002 0 1 FIAF CN(C(=O)c1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1 96914929 MMPUPLHAZWOMCV-UHFFFAOYSA-N 369.424 4.485 0 1 FIAF c1cncc(C2(c3cccnc3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1 100729160 ASTUUCYWCUWLKQ-ZEQRLZLVSA-N 362.456 4.189 0 1 FIAF O=C1c2ccc(F)cc2C[C@@H]1CCN1CCN(c2ccc(Cl)cc2)CC1 169350269 JLUQWCZYPJKNMK-HNNXBMFYSA-N 372.871 4.046 0 1 FIAF CC[C@H]1CC[C@H](C(=O)c2cn(CCN3CCOCC3)c3ccccc23)CC1 253681827 FJDXEYUKDXDFBU-WGSAOQKQSA-N 368.521 4.373 0 1 FIAF FC(F)(F)c1ncc2nc(C3(c4ccc(Cl)cc4)CCC3)nc-2[nH]1 587074665 CBPJAXKXOUAUQU-UHFFFAOYSA-N 352.747 4.447 0 1 FIAF CCS(=O)(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587086112 SGRLPBFVQHQNOX-UHFFFAOYSA-N 371.849 4.225 0 1 FIAF CC(C)COc1cc2nc(C3CCC(N)CC3)[nH]c2cc1Br 587256883 SPZVCWWSWGITKE-UHFFFAOYSA-N 366.303 4.345 0 1 FIAF CO[C@@H]1[C@H](C)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C 587356547 QUUWJSNLRVXYNJ-BPAHWYKVSA-N 370.420 4.320 0 1 FIAF C[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCCO1 587357629 UVIFULRAKXDEDA-CEWLAPEOSA-N 356.393 4.218 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(F)c1Br)O2 587382858 UWTAITZJSXIHJI-CQSZACIVSA-N 350.187 4.185 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc4cc(Cl)ccc4n1)[C@@H](C2)C3=O 587419218 DDPHCNYOBAIQKL-VBKZILBWSA-N 351.789 4.386 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(C)c(CO)c1C)CC2=O 587479550 CHFSLDSHUSXJOD-FQEVSTJZSA-N 354.446 4.469 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(CC(C)(C)C)CC2=O 587482431 NZKFMVKZWGLLLS-NRFANRHFSA-N 362.466 4.438 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3cc(OC)ccc31)CC2=O 587484840 IJLSWEGQERHCQE-JOCHJYFZSA-N 368.429 4.387 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccncn1)CC2=O 587492849 XWTMBBCNVGLHGN-QFIPXVFZSA-N 360.413 4.044 0 1 FIAF Nc1cc(Br)cnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497134 KPDUSZSWMXANMJ-MRXNPFEDSA-N 373.250 4.012 0 1 FIAF COc1ccc(OC)c2c1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521147 ASEIRPOWPNYVRA-HSZRJFAPSA-N 364.441 4.390 0 1 FIAF Cc1cccc(N)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587750837 VBYHPDZNDMNPOG-VOJFVSQTSA-N 363.274 4.277 0 1 FIAF Cc1nc2ccccn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587774960 OQVGNIBIECLWCJ-QGHHPUGFSA-N 374.257 4.168 0 1 FIAF Cc1nc2ccccn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587775792 UEQXCBMFXIDRSC-BTDLBPIBSA-N 374.257 4.168 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]2OC2CCC2)N1 587814029 XNTWCMDTWTXTDL-SEHCQNQUSA-N 354.263 4.049 0 1 FIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 587937161 NPCARCWHSDBTRY-NHCUHLMSSA-N 372.428 4.475 0 1 FIAF COc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)cc(C)nc2c1 2382241710 QRMDTPVICMUKIB-UHFFFAOYSA-N 354.406 4.321 0 1 FIAF CC(C)Oc1cc(F)ccc1-c1cc(C(=O)Nc2ccc(F)cc2)[nH]n1 61930811 XMBPJGZRRIRWBE-UHFFFAOYSA-N 357.360 4.394 0 3 FIAF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 13424874 VTHUYJIXSMGYOQ-PZORDLPLSA-N 372.505 4.409 0 1 FIAF Cc1ccc(C[C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1F 45201006 VSGMTGSXRLQYAL-UGSOOPFHSA-N 355.375 4.407 0 1 FIAF COc1ccc(-c2ncn(C)c2-c2cc(F)c(OC)c(OC)c2)cc1F 73140934 RSDOFDLRJMXIFE-UHFFFAOYSA-N 360.360 4.058 0 1 FIAF O=C(c1ccccc1)c1ccc(Oc2cc(N3CC=CCC3)ncn2)cc1 82067853 RFMAFJCOOJKMNB-UHFFFAOYSA-N 357.413 4.266 0 1 FIAF COc1ccccc1Nc1nnc([C@@H](O)c2ccc(F)c(Cl)c2)s1 82078843 LQNFHKBFXTZQFL-AWEZNQCLSA-N 365.817 4.165 0 1 FIAF Brc1ccc(Nc2nn3c(-c4ccccc4)nnc3s2)cc1 82151638 ZWAQHBMXEBMIJN-UHFFFAOYSA-N 372.251 4.359 0 1 FIAF O=C(Nc1ccc(Cl)cc1)c1ccccc1Cn1ccc2ncnc-2c1 100062175 ZNMWUAFTZNVWBG-UHFFFAOYSA-N 362.820 4.337 0 1 FIAF O=C(Nc1ccc2c(c1)CCC2)c1cnn2c1NC(=C1CC1)C=C2C(F)F 102819160 BLWPNCPHSRWMOK-UHFFFAOYSA-N 368.387 4.204 0 1 FIAF COc1cc2cnc(C)c(Cc3ccc4cccc(O)c4n3)c2cc1OC 145139527 VJAVAGYSECFDHP-UHFFFAOYSA-N 360.413 4.405 0 1 FIAF O[C@@H](CN1CCCCC1)[C@@H]1Oc2ccccc2[C@@H]1CCc1ccccc1 169362319 WXYWDEZLAOBARR-QNWVGRARSA-N 351.490 4.011 0 1 FIAF OCCc1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586980531 WBUIHUYAILVIGR-UHFFFAOYSA-N 351.631 4.181 0 1 FIAF Nc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1N 587095056 ONJIGTJKDBCAQY-UHFFFAOYSA-N 360.261 4.432 0 1 FIAF Nc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1N 587095444 ZBSCKAXULSSXJX-UHFFFAOYSA-N 360.261 4.432 0 1 FIAF Cc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1C 587143971 GPTZBIWGHZSFNC-AWEZNQCLSA-N 362.246 4.324 0 1 FIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Br)cnc3[nH]2)c1 587242071 OHFQZILZHSFBMW-UHFFFAOYSA-N 373.254 4.372 0 1 FIAF CC[C@]1([C@H](C)CN(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337384 OCFHENLSDVJGKM-VQUVXCFPSA-N 371.452 4.237 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1OC(F)(F)F)O2 587382585 NDZDIDRWAPJZBY-CQSZACIVSA-N 355.287 4.321 0 1 FIAF C[C@](O)(C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587529885 RIXTWSRUHAGHOF-GONQDFOZSA-N 354.490 4.477 0 1 FIAF C[C@]1(c2ccnc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551568 GZTFTBLCZDVUME-YLJYHZDGSA-N 367.788 4.318 0 1 FIAF CC(C)COc1cccc(OCc2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 587565804 KRZDAHWEFZLMBF-UHFFFAOYSA-N 358.369 4.014 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)C1CCC1 587587704 PHPOVLIVDKKYFN-NZQKXSOJSA-N 373.408 4.444 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Cl)N1 587706358 PRWCDELKRQOKOS-RMLUDKJBSA-N 355.638 4.260 0 1 FIAF CC[C@]1(c2ccc(F)cn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587735396 UHWWOKRZYOTQNJ-BTDLBPIBSA-N 367.237 4.310 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn3ccccc3n2)N1 587776980 ZQXQLQMPWKWWKL-ZMZPIMSZSA-N 374.257 4.034 0 1 FIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 587784015 CRJMBWVXGIOGOL-QWRGUYRKSA-N 362.216 4.208 0 1 FIAF CC(C)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 587793782 LDJNCFSZWDBMOC-JDNHERCYSA-N 352.251 4.058 0 1 FIAF C[C@@]1(c2cnsc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962647763 WLAMXXMWYPHORO-IFMALSPDSA-N 361.514 4.154 0 1 FIAF Fc1ccc2ncc([C@H]3c4ccsc4CCN3Cc3ccco3)n2c1 962709399 NFMUIPHGXNUZIJ-LJQANCHMSA-N 353.422 4.276 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C(=O)OCC)c1cc(F)ccc1F 963233489 UMSLGBPQHNKEIN-OYHNWAKOSA-N 373.443 4.428 0 1 FIAF Cc1ccc(F)cc1-c1cccc([C@]2(c3ccccc3)NC(=N)N(C)C2=O)c1 1857534117 OHEKMGYANKEYGO-QHCPKHFHSA-N 373.431 4.041 0 1 FIAF Cc1c(C(=O)Nc2ccccc2)sc(N)c1C(=O)Nc1ccccc1 1857594187 DCENEFCFBXRYDY-UHFFFAOYSA-N 351.431 4.143 0 1 FIAF COc1cc(N[C@H](C)CCCN)c2nc(OCc3ccccc3)ccc2c1 1727297 HAFRQKJIGSWNQQ-MRXNPFEDSA-N 365.477 4.362 0 1 FIAF CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)NCn1cc(-c2ccccc2)nn1 5541542 IAPQUATXEHBRED-SZVBFZGTSA-N 356.470 4.090 0 1 FIAF CCN(CC)CCOc1cccc(Nc2nccc(-c3ccncc3)n2)c1 26645828 RZGKNVGZZWOHQN-UHFFFAOYSA-N 363.465 4.003 0 1 FIAF COc1cccc(-c2cc(-c3ccc(N(C)C)cc3)nc3ncnc(N)c23)c1 27986572 AOAXHVABMHFBSW-UHFFFAOYSA-N 371.444 4.016 0 1 FIAF O=C1CC[C@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)C(=O)N1 45366663 WUBSVPCBLIOINU-GFCCVEGCSA-N 364.228 4.381 0 1 FIAF COc1ccccc1NC(=O)c1cccnc1SCc1ccncc1 64560786 QOCPCOVKLWTGAI-UHFFFAOYSA-N 351.431 4.030 0 1 FIAF COc1ccc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)cc1 64637941 USSHQDHVRSZESG-GOSISDBHSA-N 368.433 4.000 0 1 FIAF N=C(N)c1ccc(-c2ccc(-c3cc4cc(C(=N)N)ccc4[nH]3)cc2)cc1 71295344 QGELZKNPVZNYBL-UHFFFAOYSA-N 353.429 4.070 0 1 FIAF COc1cc(-c2nc(C)nc3[nH]cc(C(C)=O)c23)c(Cl)cc1Cl 71334977 HRVAEDMCCCBEQB-UHFFFAOYSA-N 350.205 4.451 0 1 FIAF COc1cccc([C@@H](C)NC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1 73169714 CMZGQSDEDHCVNT-CYBMUJFWSA-N 360.417 4.058 0 1 FIAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccncc1 100703634 YMDJTNIDXCMEHP-AWEZNQCLSA-N 368.462 4.293 0 1 FIAF CCC[C@@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 101791734 ASRGIKPNODZIHT-VCFYHUQZSA-N 367.533 4.456 0 1 FIAF CCCCn1nc2c(c1C(=O)NCc1ccc(C(C)(C)C)cc1)CCC2 103187712 HKRRHFGILCALQK-UHFFFAOYSA-N 353.510 4.399 0 1 FIAF COc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)N[C@@H](C)C3)c1 116989647 MELFSEYIAUNESE-AWEZNQCLSA-N 359.429 4.175 0 1 FIAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2cnccn2)c1 218348509 WXLUJESXDJJOTQ-FQEVSTJZSA-N 358.401 4.003 0 1 FIAF CN1CC[C@@H](c2ccc3nc(Nc4ccc(C(F)(F)F)cn4)[nH]c3c2)C1 299832825 UDICVWBLMGGCPS-GFCCVEGCSA-N 361.371 4.139 0 1 FIAF Cc1c(-c2nc3c(Br)c(F)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905405 NUHKBARNRKUGHZ-JTQLQIEISA-N 365.202 4.403 0 1 FIAF CC(C)(SCC(=O)O)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586958425 FZIPHFSVIBGQNO-UHFFFAOYSA-N 350.387 4.228 0 1 FIAF Fc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586998819 PEANWTJOORKSSR-DAFODLJHSA-N 361.170 4.364 0 1 FIAF Clc1nccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587018282 ZXKSPVFIQSBJMD-UHFFFAOYSA-N 354.822 4.337 0 1 FIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cccc(C(=O)O)c3[nH]2)c1 587051693 SXAJIEOQCRZDLX-UHFFFAOYSA-N 357.797 4.176 0 1 FIAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c[nH]c(=N)[nH]c-2n1 587069620 DRCUHZPTYVPAEK-VCEFJNLBSA-N 374.275 4.390 0 1 FIAF COC(=O)[C@@H]1C(C)=Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587096200 ASOSPXMZKHYVRR-QGZVFWFLSA-N 355.393 4.428 0 1 FIAF CNc1c(F)cccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587135868 QJNNIHRMRQUFRL-UHFFFAOYSA-N 360.261 4.460 0 1 FIAF Cc1ccc(C)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc12 587234805 WYESYZQGNLIAQG-UHFFFAOYSA-N 357.454 4.043 0 1 FIAF COc1ccccc1Cn1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587392107 WLOGGCPPPQKKIP-NRFANRHFSA-N 362.429 4.142 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cccc4ccc(C(C)=O)nc14)[C@@H](C2)C3=O 587435887 JYNOBYUHQOSXAM-GAJHUEQPSA-N 373.408 4.109 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cccc(F)c1)CC2=O 587466825 MXSWQFIKAMGRST-OAQYLSRUSA-N 372.392 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(C)=O)cc1)CC2=O 587471614 URPAICQDQXWJBH-NRFANRHFSA-N 353.418 4.184 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCC(C)(C)C[C@@H]1C(=O)OCC)CC2=O 587476258 ADWUMQPBATWDGI-ZHRRBRCNSA-N 374.477 4.438 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccnc2F)N1 587738109 KDOGLUJFJWGLOZ-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF COc1cccc(OCc2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)c1 587780568 CZFQFXUVZGSYCK-UHFFFAOYSA-N 366.808 4.261 0 1 FIAF CCCC[C@@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800806 ZMYNFPZLXDLQCK-APPDUMDISA-N 372.278 4.071 0 1 FIAF CO[C@]1(C)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587807913 FDMBPHBBKARKRD-LZVXQISVSA-N 356.279 4.153 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1C 587870356 GBWOPJNNDHSBGF-UHFFFAOYSA-N 354.381 4.116 0 1 FIAF CC(C)N(Cc1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc2c1=O 653918497 WINHUNGJEZTFBG-UHFFFAOYSA-N 354.837 4.232 0 1 FIAF CCC[C@@]1(c2cc3ccc(O)cc3oc2=O)NCCc2ccc(F)c(C)c21 962085708 ACXUBIHFKWTRPT-QFIPXVFZSA-N 367.420 4.136 0 1 FIAF COc1cc(-c2noc(C3CC4(C3)CC(F)(F)C4)n2)cc(OC)c1OC 1249371491 RBGRARLJHAZMKS-UHFFFAOYSA-N 366.364 4.055 0 1 FIAF Nc1c(C(=O)Nc2ccccn2)sc2nc(-c3cccs3)ccc12 1857630605 XMFUEDFSTPTGJA-UHFFFAOYSA-N 352.444 4.254 0 1 FIAF O=C(O)C[C@H]1CCN(CC2CCCCC2)C[C@H]1Cc1nc2ccccc2[nH]1 2356552815 DFAVYTIGQMODOU-QZTJIDSGSA-N 369.509 4.099 0 1 FIAF CCCNC(=O)O[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccccc3C)c2C)C1 2356838374 LZKQBHFJUGANLT-QZTJIDSGSA-N 353.466 4.346 0 1 FIAF CCOC(=O)c1cnc2ccc(OCC)cc2c1N(C)Cc1ccccc1 4562968 FTGFLMLLQAIYGW-UHFFFAOYSA-N 364.445 4.447 0 3 FIAF COc1ccccc1-c1ccc2c(c1)COCC(=O)N2CCc1ccccc1 205230310 ANJMDHQQPXTSDV-UHFFFAOYSA-N 373.452 4.468 0 3 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccccc1 4152635 AIOKMVNCPJIMSZ-CTNGQTDRSA-N 366.461 4.093 0 1 FIAF O=C(COc1ccc2ccc(=O)[nH]c2c1)Nc1ccc(-c2ccccc2)cc1 28867887 GQUPGVUXHYQISL-UHFFFAOYSA-N 370.408 4.213 0 1 FIAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Nc1ccc2ncsc2c1 40394102 GLHSRKKIXFBXSG-ZPUQHVIOSA-N 350.399 4.233 0 1 FIAF CCCCNC(=O)[C@@H](OC)c1cccc(COc2cc(C)ccc2C)c1 103177353 RFGLNEHUKZHJBV-NRFANRHFSA-N 355.478 4.486 0 1 FIAF CCC[C@H](C)OC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C 103184218 CXXRRKJBPPIIPN-AWEZNQCLSA-N 369.465 4.308 0 1 FIAF Cc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3CCF)nc2n1 117862444 GMKMZGNWMOSVQS-UHFFFAOYSA-N 369.469 4.026 0 1 FIAF CC(=O)c1ccc(-c2ccc(C[C@@]3(C)SC(=O)[C@@H](C)C3=O)cc2)cc1 169720235 VQRZDORXXZWESD-YEJXKQKISA-N 352.455 4.336 0 1 FIAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cc(Cl)cc(Cl)c1 253699379 ILHUURNQKXQSLQ-MAJPQCIUSA-N 352.261 4.033 0 1 FIAF COc1ccc(-c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)cc1 473096497 ZFXURQZOPGIFLC-UHFFFAOYSA-N 369.442 4.172 0 1 FIAF N=c1[nH]c(-c2cccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)cs1 587021238 KDKGPHPMLIWXQB-UHFFFAOYSA-N 361.352 4.180 0 1 FIAF O=C(Nc1ccccc1Cl)c1nc2cc(F)c(Br)cc2[nH]1 587060668 RGYFVYOFMMXSJQ-UHFFFAOYSA-N 368.593 4.370 0 1 FIAF Nc1ccc(-c2ccc3nc(-c4cncc(C(F)(F)F)c4)[nH]c3c2)cc1N 587115367 LGZFACYKWPMQIE-UHFFFAOYSA-N 369.350 4.475 0 1 FIAF Cc1c(Br)cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1C 587157947 VWVPHTKTAOTUPH-SGTLLEGYSA-N 374.257 4.423 0 1 FIAF CC(C)Oc1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587165327 QQOJRXHQWKKXTC-UHFFFAOYSA-N 350.397 4.401 0 1 FIAF COC(=O)c1coc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587207736 WXAKGTWGFDGWCX-UHFFFAOYSA-N 355.349 4.493 0 1 FIAF CC[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357006 LZRBEOFUIPWGCG-OZOXKJRCSA-N 356.393 4.218 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)nc1Cl)[C@@H](C2)C3=O 587423065 SZRCVARRIBMIQS-APPDUMDISA-N 350.201 4.060 0 1 FIAF Nc1ccc([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508920 GJUVHKBOKAQSCC-XMMPIXPASA-N 370.452 4.452 0 1 FIAF COc1cc(C)ccc1OCc1nc2ccc(OC(F)(F)F)cc2[nH]1 587564434 RHQPKNGORRBFTA-UHFFFAOYSA-N 352.312 4.358 0 1 FIAF C[C@]1(CCc2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619727 YYQYWUQZTUMISD-WIYYLYMNSA-N 350.370 4.338 0 1 FIAF CCOC(=O)Cc1[nH]c2cc(F)ccc2c1NC(=O)OCc1ccccc1 587635130 HILCCEFFKHFNKR-UHFFFAOYSA-N 370.380 4.161 0 1 FIAF C/C=C(\Br)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587671232 PUIQMPQKBHLFQI-ZDPZOUIFSA-N 363.068 4.462 0 1 FIAF Cc1ccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc2c1 587775184 PMTVWQFAEPMMJJ-VOJFVSQTSA-N 374.257 4.168 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc3cnccc23)N1 587776791 DMYRWFNLZRSYCQ-MLCYQJTMSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ocnc3c2)N1 587779255 XALBVYIOFWCXAL-VVVCHXIZSA-N 361.214 4.353 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cccnc32)N1 587779419 SFOKMCSBCRHQSB-ADLMAVQZSA-N 361.258 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cccnc23)N1 587804487 RCTZDWMGYYRTDX-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF COc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587804558 BGORJCRYXJFFIO-BMLIUANNSA-N 350.231 4.220 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1CCC(=O)OC(C)(C)C 587863091 QPRVJVYLHUFKFU-UHFFFAOYSA-N 370.371 4.309 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)OC(C)C 587864224 HUEYBJNWYCJEOR-LBPRGKRZSA-N 370.371 4.421 0 1 FIAF Cc1cc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(C)[nH]1 962957913 OULABBFNSSAHDM-SFHVURJKSA-N 364.411 4.391 0 1 FIAF Cc1ccc(Cl)c([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1F 963018830 CQMYEJCBBNIFTK-ODXCJYRJSA-N 358.844 4.104 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ccc2c(c1)CCCN2 963058544 PTSHUQGJOIZMMB-QHCPKHFHSA-N 359.473 4.011 0 1 FIAF Cn1ccc2cc(-c3cnc4cnc(-c5ccccc5CO)cn34)ccc21 1857577433 RCDPVWDTQHFBDK-UHFFFAOYSA-N 354.413 4.047 0 1 FIAF CSC1=N/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1C 1857744409 QDRIEIXVKFKNBJ-BOPFTXTBSA-N 372.877 4.451 0 1 FIAF O=C(O)C=C[C@@H]1[C@H]2C=C[C@H]3[C@H]1C[C@@H]1[C@@H](CCCc4ccc(O)cc4)[C@@H]2[C@H]31 2356337445 ZCRUGKKXGAGXFI-HNWOEKMFSA-N 350.458 4.286 0 1 FIAF CC(=O)O[C@@H]1CC2=C(COC2=O)[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]12 2356632096 FLSJEPDXKPIBAA-KYRJBTROSA-N 360.494 4.424 0 1 FIAF O=C(NCCCOc1cccc(CN2CCCCC2)c1)NC1CCCCC1 13725247 RJDVDVICWURDHU-UHFFFAOYSA-N 373.541 4.073 0 1 FIAF CCCCC[C@@H](CC(=O)CCc1ccc(OC)c(OC)c1)OC(C)=O 15257105 JVZPWPPDSXXGLN-SFHVURJKSA-N 350.455 4.108 0 1 FIAF biogenic COc1ccc2c(c1)NC(=O)c1ccc(-c3ccc(N)c(OC)c3)cc1N2 28710738 IKBCATXQFWJEDR-UHFFFAOYSA-N 361.401 4.262 0 1 FIAF Cc1cc(C)nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1 33504924 VDRRVCPXOUMIQD-AWEZNQCLSA-N 354.262 4.179 0 1 FIAF Nc1nc2c(c(Nc3ccc(Br)cc3)n1)-c1ccccc1C2 59111540 HESYGFVBSYSLJZ-UHFFFAOYSA-N 353.223 4.136 0 1 FIAF CN1CCN(c2ccc(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CC1 64559296 USPSSAUXBPWGIY-PMACEKPBSA-N 354.881 4.078 0 1 FIAF O=C(NCCCNCc1cc(Cl)sc1Cl)Nc1ccsc1 98208151 SZYXSDCUJDMWNQ-UHFFFAOYSA-N 364.323 4.418 0 1 FIAF in-vitro CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN2CCc3ccccc3C2)CC1 102321629 FJLFQHMTMGDZCN-HDICACEKSA-N 358.526 4.376 0 1 FIAF CCS(=O)(=O)N(CCC(F)(F)F)c1sc2ccccc2c1C 115232130 UPCDVZLNFLEVKM-UHFFFAOYSA-N 351.415 4.318 0 1 FIAF O=C1OC[C@H](c2ccc(C3CCOCC3)cc2)N1c1ccc2[nH]cnc2c1 116829151 RIBOAZMIUNPPNA-HXUWFJFHSA-N 363.417 4.155 0 1 FIAF CCc1cc(Oc2ccc(CC(N)=O)cc2)nc(-c2cccc(Cl)c2)n1 143207842 TUODJUIJHBHOTI-UHFFFAOYSA-N 367.836 4.180 0 1 FIAF O=C1/C(=C/c2cccc(OCc3ccccc3)c2)N=C2SCCCCN12 169322713 TYPYKTGWUCNEDE-RGEXLXHISA-N 364.470 4.332 0 1 FIAF CSC1=N[C@H]2c3ccccc3SCCCCCOC(=O)[C@@H]2C(C)=N1 169713997 LUAAYKIXNWOEMY-CVEARBPZSA-N 362.520 4.357 0 1 FIAF Clc1ccc2[nH]c(CCC[C@H]3NC[C@H]4C[C@H]3CN3CCCC[C@H]43)nc2c1 299826974 FKJXPOBOQROHGP-DOHHPOSVSA-N 372.944 4.001 0 1 FIAF Cc1nc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2cc1Br 586888755 YCRHTTUBBLWKQT-ACJLOTCBSA-N 354.251 4.400 0 1 FIAF CCc1ccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 586971995 CVLVVOFJMXYHRN-IBGZPJMESA-N 353.491 4.236 0 1 FIAF Cc1nn(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)c1Br 586978666 AMIJVKYIDVQPLK-UHFFFAOYSA-N 374.069 4.494 0 1 FIAF Cc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1F 587074718 VZVZICYMVSTHSO-UHFFFAOYSA-N 355.804 4.279 0 1 FIAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(F)cc(Br)c2[nH]1 587088604 PVPAXEYYHNIPEH-MRVPVSSYSA-N 360.177 4.214 0 1 FIAF CCO/C=C(\C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106264 KJRQQIVTDKJRLN-AQTBWJFISA-N 373.408 4.387 0 1 FIAF C[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332918 GLLHVJYBNFAGPC-UNMCSNQZSA-N 363.388 4.388 0 1 FIAF COc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)CC(=O)c2cc(C)cc(N)c2O1 587396811 PNOAJQGVRUUCAV-JOCHJYFZSA-N 362.429 4.264 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(C(=O)O)cc1)O2 587408252 OLBKDEXQDGPZNP-HSZRJFAPSA-N 373.408 4.184 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(N(C)c4ccccc4)nc1)[C@@H](C2)C3=O 587430124 RJQCNBJHDRLWHV-FDDCHVKYSA-N 372.424 4.347 0 1 FIAF C[C@]1(c2coc(C3CC3)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584511 AQKPMQMRVGMEPA-DYESRHJHSA-N 363.369 4.135 0 1 FIAF Cc1coc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615217 FMMPIWVVQMLTDF-NQIIRXRSSA-N 350.370 4.479 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nccnc3c2)N1 587778948 PATFYFAPNYCWQK-YPMLDQLKSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2n[nH]c3ccccc23)N1 587792194 HBIQWPPSKUOPIP-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cnccc23)N1 587802186 KSKJYBZYCWGBEH-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2cc(F)ccc2[nH]1 587870136 AAZQNZXDWBUYBR-UHFFFAOYSA-N 367.355 4.397 0 1 FIAF COc1cccc2cc3c(nc12)[C@@H](c1ccc([C@@H]2CCCCO2)o1)NCC3 963056895 NIRZRDPTBQISAB-KSFYIVLOSA-N 364.445 4.313 0 1 FIAF Cc1c(-c2nnc(-c3ccccc3)c3conc23)cnn1-c1ccccc1 1772641045 QNEWFYXZFBRINZ-UHFFFAOYSA-N 353.385 4.446 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)C[C@@H](O)C3=C(C)C[C@@H](O3)[C@@H]12 1857742306 JTCFLJZDNRVMOS-AGGRRNPKSA-N 362.510 4.380 0 1 FIAF CSc1nc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc2s1 29130894 OKEFUPIHXFSNOY-UHFFFAOYSA-N 368.487 4.385 0 1 FIAF CCOc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C)cc1 35289386 ILXBXXRCRGEDDO-GOSISDBHSA-N 367.449 4.029 0 1 FIAF C[C@@H]1CCCN1CCc1ccc2nc(-c3cnc4c(c3)OCO4)ccc2c1 35858622 GGPUVZHICLSIOX-OAHLLOKOSA-N 361.445 4.052 0 1 FIAF CNc1nc2ccccc2n2c(-c3cccc(Br)c3)cnc12 43120092 HLEBUIFKABFRHS-UHFFFAOYSA-N 353.223 4.354 0 1 FIAF CN1[C@@H]2CC[C@@H]1[C@@H](COc1ccc3c(c1)OCO3)[C@H](c1ccc(F)cc1)C2 100801330 CUWDCKZGAWYXEX-BTHPGYMESA-N 369.436 4.200 0 1 FIAF CC[C@@H](Nc1ccnc(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118388301 RAUQWKZAXLZHLZ-LJQANCHMSA-N 373.884 4.123 0 1 FIAF COc1cc2ncnc(Nc3cccc(O)c3)c2cc1-c1ccc(N)cc1 143079204 PLMGQLOWNWVITJ-UHFFFAOYSA-N 358.401 4.337 0 1 FIAF COc1cccc(F)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cnc2ccccc2c1 167046158 JMFKYGMKQKXEDK-LIRRHRJNSA-N 364.420 4.492 0 1 FIAF COc1cc(C=O)ccc1OCCCOc1ccc(-n2cccc2)cc1 473113542 JFQFJKWMIPUCLC-UHFFFAOYSA-N 351.402 4.146 0 1 FIAF COc1cc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2cc1Cl 586904624 ZTSDFUYHKJDKCG-UHFFFAOYSA-N 356.765 4.459 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3cc(C)cc(C)c3[nH]2)cc1 586970528 LVQZMOQWFVXNSA-UHFFFAOYSA-N 353.491 4.403 0 1 FIAF O=C1COc2cc3[nH]c([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)nc3cc2N1 587052153 WZRXSPXKTGHKJO-RKDXNWHRSA-N 374.227 4.472 0 1 FIAF FC(F)(F)c1cc(CCc2nc3cnncc3[nH]2)cc(C(F)(F)F)c1 587110943 LIXAFGNOJWLUGV-UHFFFAOYSA-N 360.261 4.176 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3cc(Br)c(F)cc3[nH]2)c1 587242193 IPTPTVSQQRYPPH-UHFFFAOYSA-N 362.202 4.014 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCc3ncccc32)[C@H]1c1ccc(F)cc1 587343858 DSZDAKBJZGFROQ-UNMCSNQZSA-N 361.372 4.127 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccncc4)cc1)[C@@H](C2)C3=O 587436190 MYHOPPCLLLEMPA-WMZHIEFXSA-N 373.408 4.158 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C(C)=O)(c1cccc(Cl)c1)CC2=O 587463558 VRLYAAQNJYLPCA-FQEVSTJZSA-N 358.821 4.448 0 1 FIAF C[C@H](O)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587524961 MTWJSRCMPRRQKV-LFVRLGFBSA-N 361.441 4.288 0 1 FIAF Cc1ccc2c(c1)[C@@]1(C=CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606451 CQBPEEGJQAAABB-NZQKXSOJSA-N 372.376 4.464 0 1 FIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1 587750632 UUZIJXRQAMSAPW-VOJFVSQTSA-N 363.274 4.277 0 1 FIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2c1 587787870 ZAESUIRWQFDCPS-UHFFFAOYSA-N 374.396 4.398 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C=O)cc2)N1 587815501 NBDTYZCROAWGKE-ZMZPIMSZSA-N 362.242 4.198 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2OCC3)N1 587832083 AXVBAXLWPPBUFU-DYZYQPBXSA-N 362.242 4.147 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(s2)CCC3)N1 587860094 ZUFDATJASVAPLE-ANRSDYALSA-N 367.287 4.157 0 1 FIAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1c(F)cccc1F 653697698 SRISVLQKHKIUPX-UHFFFAOYSA-N 352.340 4.303 0 1 FIAF CCCn1c(Br)nc2c(NCCCc3ccccc3)ncnc21 653812620 HHALEILIOZZTHT-UHFFFAOYSA-N 374.286 4.044 0 1 FIAF Cc1ccncc1[C@@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962649211 ZQDHCUJOULRRGX-WIOPSUGQSA-N 369.512 4.400 0 1 FIAF CN[C@@H](C)[C@]1(c2ccc(OC)cc2)NCCc2cccc(-c3ccccc3)c21 962666166 LFSGKEQHDKBNBI-AVRWGWEMSA-N 372.512 4.359 0 1 FIAF COc1ccc(Nc2nc(-c3ccccn3)nc3ccccc23)cc1OC 1772640461 BZRLWWMWBRGZLP-UHFFFAOYSA-N 358.401 4.453 0 1 FIAF COc1cc2c(cc1OC)N(c1cc(OC)c(OC)c(OC)c1)[C@H](C)CC2 1857639146 LCLZUNKTFILBGQ-CYBMUJFWSA-N 373.449 4.202 0 1 FIAF Cc1sc(-c2ccc3c(c2)COC3=O)nc1OCCCN1CCCCC1 1857650405 ROAVUXKHIGGGCW-UHFFFAOYSA-N 372.490 4.044 0 1 FIAF COc1ccc(-c2noc([C@H](C)NCC3CCCCC3)c2C(=O)O)cc1 2356299468 HUXNQSBPMJLAJP-ZDUSSCGKSA-N 358.438 4.279 0 1 FIAF Cn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc21 3815030 LQIKOEJHMCCOSP-UHFFFAOYSA-N 354.211 4.023 0 1 FIAF O=C1CCN([C@@H]2CCCC[C@H]2OCCc2c(Cl)cccc2Cl)C1 3962501 KRCDDYNOSQYZRA-QZTJIDSGSA-N 356.293 4.139 0 1 FIAF O=C(NCc1ccccc1)Nc1cccc(NC(=O)NCc2ccccc2)c1 13493770 DFTPMPYLZIATAV-UHFFFAOYSA-N 374.444 4.330 0 1 FIAF CC(C)(C)c1ccc(-c2ncnc(Nc3ccc4c(c3)OCCO4)n2)cc1 14974041 BRWGMRBEFSENTP-UHFFFAOYSA-N 362.433 4.351 0 1 FIAF COc1ccc2nc(N3CCC(NCc4ccsc4)CC3)cc(C)c2c1 28950878 CJAPRKZNLFALPD-UHFFFAOYSA-N 367.518 4.372 0 1 FIAF C1=C[C@@H]2C(c3ccnc(Nc4ccccc4)n3)=C(c3ccccc3)NN2C=C1 28975992 SYJVSHJJQVAKBM-HXUWFJFHSA-N 365.440 4.361 0 1 FIAF CC1=CC2=NC[C@H](C(=O)c3ccc(OCc4ccccc4)cc3)CN2C=C1 43024095 USLJJFFTGASJIV-FQEVSTJZSA-N 358.441 4.252 0 1 FIAF COc1ccc(CCN[C@@H](C)COc2c(C)cc(C)cc2C)cc1OC 66166936 DOFUMULNNYETSI-SFHVURJKSA-N 357.494 4.229 0 1 FIAF Cc1ccc2nc3c(cc2c1)C=Nn1c(nnc1-c1ccccc1Cl)N3 72175742 GQRSECSAGTZWTI-UHFFFAOYSA-N 360.808 4.394 0 1 FIAF Fc1ccc(C(OCCOC2C[C@@H]3CC[C@@H](C2)N3)c2ccc(F)cc2)cc1 100872681 KFPZVRTVZVHBSM-PMACEKPBSA-N 373.443 4.370 0 1 FIAF Cc1ccc(/C=C/C(=O)Oc2cc(CCc3ccccc3)oc(=O)c2)cc1 103277286 GEUXVKHUQXYTHT-WYMLVPIESA-N 360.409 4.352 0 1 FIAF CC(C)[C@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166806007 JAWRJNSSUGCUPI-AWEZNQCLSA-N 369.440 4.148 0 1 FIAF CN1[C@H]2CC[C@@H](OC(=O)C(F)(c3ccccc3)c3ccccc3)[C@H]1CC2 169311235 PXPFOIYLNCPFCA-VAMGGRTRSA-N 353.437 4.068 0 1 FIAF O=C(Nc1cc(Cl)c(O)cc1O)C1(c2ccccc2Cl)CCC1 473112275 CEAZZIHCFAUTNC-UHFFFAOYSA-N 352.217 4.465 0 1 FIAF CCCCS(=O)(=O)N[C@H](c1nc2cc3ccccc3cc2[nH]1)C(C)C 586932192 BZTVFLMEUMSIDO-SFHVURJKSA-N 359.495 4.133 0 1 FIAF Clc1ccc2ccn(Cc3nc4ccnc(Br)c4[nH]3)c2c1 587079776 GVIJMJKOSJCAIX-UHFFFAOYSA-N 361.630 4.377 0 1 FIAF CN(C)CCOc1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587107440 SQLHZOWYXSESBH-UHFFFAOYSA-N 363.383 4.113 0 1 FIAF Cc1ccc2c(ccc3nc([C@]4(C)C=C(c5ccccc5F)NO4)[nH]c32)n1 587157033 RAGGHDUXDZZHNM-NRFANRHFSA-N 360.392 4.350 0 1 FIAF Fc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(N2CCCC2)n1 587177503 KFTFEOBBKGZDMA-UHFFFAOYSA-N 366.318 4.263 0 1 FIAF COc1cccc(N2C[C@H](C(=O)c3coc4ccc(Cl)cc34)CC2=O)c1 587278717 RYBDHGBXSOMRHX-GFCCVEGCSA-N 369.804 4.331 0 1 FIAF COc1ccccc1C[C@@H]1CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587398243 DHSAUBOESSOSJO-KSFYIVLOSA-N 351.446 4.333 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2cc(O)ccc21 587408757 OFTVHOMRILHVET-JOCHJYFZSA-N 359.381 4.298 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccc(Cl)cc4)on1)[C@@H](C2)C3=O 587420501 IICNSTTWESCRLS-XOBRGWDASA-N 367.788 4.492 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C)CC2=O 587484903 OPCWJJGBHWOGRU-OKZBNKHCSA-N 374.477 4.292 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H](O)c1ccccc12 587605562 BBDWENAELMSWRT-NYDSKATKSA-N 374.392 4.077 0 1 FIAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587610493 GGXKSLXNFUFSMP-FXAWDEMLSA-N 367.426 4.223 0 1 FIAF CC[C@@H](C)c1ccc2[nH]c(-c3cnn(CC)c3)c(N3CCOCC3)c2c1 587641369 FHYMOTXFCBOKGM-OAHLLOKOSA-N 352.482 4.401 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)c(F)c2)N1 587724502 INGPXPBQUDNLRW-XLFHBGCDSA-N 367.237 4.107 0 1 FIAF CCOc1ccncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587775886 UOJAZBURAYATFP-DYZYQPBXSA-N 365.246 4.006 0 1 FIAF CC(C)c1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587776122 WLNNCFIREMPVHP-QFYYESIMSA-N 364.262 4.125 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCO1 587858019 CKCVKLMPPGWLCL-AWEZNQCLSA-N 355.221 4.075 0 1 FIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587926970 MSVYXTXPCZLAFQ-CQSZACIVSA-N 365.433 4.007 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@](C)(c3cc4ccc(F)c(F)c4o3)c3cccc1c32 963033690 UGIAGLAUNVXHKT-GTJPDFRWSA-N 368.383 4.028 0 1 FIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1csc(Br)n1 963117823 ZCTZFAQZRUHMOT-BXUZGUMPSA-N 353.260 4.155 0 1 FIAF O=C(Nc1ccn2cc(-c3cccc(F)c3F)nc2c1)N1CCCCC1 1772574019 XCCBKBYBIGGAHA-UHFFFAOYSA-N 356.376 4.297 0 1 FIAF O=c1c2ccccc2oc2c(Cc3ccc(O)cc3)[nH]c(-c3ccncn3)c12 1772640443 BLISEFNJJGNKPD-UHFFFAOYSA-N 369.380 4.028 0 1 FIAF Cc1ccc(-c2nnn(CCCN3CCC[C@H]3c3cccc(C)c3)n2)cc1 1857541690 RSPXVNPNEIXPSY-NRFANRHFSA-N 361.493 4.184 0 1 FIAF Nc1ccccc1NC(=O)c1ccc(CN[C@@H]2C[C@H]2c2ccccc2)cc1 1857634902 LIYQACIRFGXYBN-SIKLNZKXSA-N 357.457 4.167 0 1 FIAF FC(F)(F)c1ccc(-c2nc3cc(Nc4ccccn4)ncc3[nH]2)cn1 1857646084 ZLDVQSBAPZTYSZ-UHFFFAOYSA-N 356.311 4.177 0 1 FIAF CCc1nc2c(OCc3ccccc3C)cccn2c1N(C)C(=O)C(C)C 61897124 JAACWNVBMVWVRJ-UHFFFAOYSA-N 365.477 4.403 0 3 FIAF CCCNC(=O)[C@]1(C)CCN(Cc2ccc(OCc3ccccc3)cc2)C1 61906951 FVNBHNMLTBWCCB-HSZRJFAPSA-N 366.505 4.004 0 3 FIAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6ccccc6)c5c4CCN3C[C@@H]12 199740907 AXEMPVRSZGJCGL-KXYFNNKZSA-N 373.500 4.388 0 3 FIAF O=C(O)CCCCn1c(SCc2ccccc2)nc2ccsc2c1=O 2925539 TWAKOEZWJGBXKR-UHFFFAOYSA-N 374.487 4.005 0 1 FIAF O=C(Nc1sc2c(c1C(=O)N1CCCC1)CCCC2)c1cccs1 28707876 DMYPCAACHRLODE-UHFFFAOYSA-N 360.504 4.177 0 1 FIAF COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1/C=C\C(C)(C)O 59730081 CYPXFTCVCNFZNY-KHPPLWFESA-N 366.413 4.261 0 1 FIAF CCOC(=O)C1CCN(Cc2coc(-c3cccc4ccccc34)n2)CC1 72182137 KEXJDAGUUUZYLH-UHFFFAOYSA-N 364.445 4.270 0 1 FIAF COCCn1c(-c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 82180099 GBOWICGSMOYMSX-UHFFFAOYSA-N 373.460 4.060 0 1 FIAF CCCCN(C(=O)CC)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 100459339 NVVVDUYSYPDLTN-NRFANRHFSA-N 374.525 4.224 0 1 FIAF biogenic CC(C)(O)[C@@H]1CC[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@]23C)C[C@]12CCC(=O)O2 169653649 YKVIOKMYGNSBFS-OHGCYLHCSA-N 362.510 4.035 0 1 FIAF O=C(NCc1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccncc1 204983741 KUNJHESPMBXIEA-UHFFFAOYSA-N 374.469 4.180 0 1 FIAF CN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(Cl)c1 299853690 OLRBSLWJRCTMHB-UHFFFAOYSA-N 370.880 4.238 0 1 FIAF COc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586987725 DGSQZTDDOKECSU-UHFFFAOYSA-N 354.365 4.222 0 1 FIAF COc1ccnc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586988437 RNLMIASGNDWVHM-UHFFFAOYSA-N 354.365 4.222 0 1 FIAF COC(=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587061314 VEPPBJIPQLDLNV-UHFFFAOYSA-N 353.765 4.325 0 1 FIAF CCOC(=O)[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587096504 DNKKJRFTEIISHJ-AWEZNQCLSA-N 371.436 4.423 0 1 FIAF COc1cc2c3c(c1)O[C@@H](CCc1ccc(OC(C)C)cc1)[C@@H](C2)C3=O 587440818 QTRWAJYJNAZXGX-MOPGFXCFSA-N 352.430 4.231 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1coc3ccccc3c1=O)CC2=O 587485852 JNUCVQMRBLYJEG-LJQANCHMSA-N 350.370 4.158 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OC)C[C@@H](C)O3)CC2=O 587491198 NTIQUNPEPFQXGK-GTJPDFRWSA-N 368.429 4.383 0 1 FIAF C[C@](O)(C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587529887 RIXTWSRUHAGHOF-YERLQTMHSA-N 354.490 4.477 0 1 FIAF C[C@]1(c2ccc(O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556897 KWOQWGAOVFPVOM-WIYYLYMNSA-N 366.344 4.114 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCOc2ccccc21 587612536 VUXJHSIBRCFIPW-XLHILCRZSA-N 374.392 4.289 0 1 FIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)cc1 587785150 MLPPGLKXYUFSBA-IRXDYDNUSA-N 357.413 4.363 0 1 FIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 587787352 UWNDMLZGSYNLGB-ZIAGYGMSSA-N 371.234 4.269 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2CC2)(C2CC2)N1 587815971 RXCFHEAYQAROPP-MGNBDDOMSA-N 366.274 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCCC[C@@H]2O)N1 587834109 QVKPOJNYLRVVMB-ZTFRIQLXSA-N 356.279 4.033 0 1 FIAF Cc1nc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1C 587855568 WQVANNJTVFSZLD-PWJLMRLQSA-N 369.303 4.459 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccncc1 587858399 HXHILGYEHSZNRR-UHFFFAOYSA-N 362.216 4.339 0 1 FIAF COc1ccccc1[C@]1(c2cc(C)ccn2)NCCc2ccc(F)c(C)c21 962296763 HIYKFRXSQRKQJI-HSZRJFAPSA-N 362.448 4.284 0 1 FIAF CC(C)[C@]1(C)CC[C@@]2(C1)N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962694314 GVWQMVBWUGPXKE-JQHSSLGASA-N 373.390 4.485 0 1 FIAF O=C(Nc1ccccc1)Nc1nccnc1OCc1ccccc1Cl 1857654338 DKHLLUARBQWRPO-UHFFFAOYSA-N 354.797 4.353 0 1 FIAF Cc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)cc1 2356302181 NVMQPGHLMRKACL-RXVVDRJESA-N 367.468 4.227 0 1 FIAF CN1CC[C@@H](N(Cc2ccc(Cl)cc2)c2ccc(N)c(Cl)c2)C1 2356704884 LXYQSIMLWVTNMB-MRXNPFEDSA-N 350.293 4.286 0 1 FIAF O=C(Nc1ccccc1)C1=C[C@@H](C2CCCCC2)C[C@@H](OCCCCO)O1 13634871 NKNQWGRORJPXNZ-NQIIRXRSSA-N 373.493 4.241 0 3 FIAF COc1ccc(C2=NC[C@H](C)n3nc4cc(C(F)(F)F)ccc4c32)cc1 206061453 KEOXUMJDFCXWOL-NSHDSACASA-N 359.351 4.476 0 3 FIAF CN(C)C[C@@H]1C[C@H]2c3c(cccc3C(F)(F)F)Cc3ccccc3N2O1 13437114 ZNWOCPPAOLYORT-YJBOKZPZSA-N 362.395 4.423 0 1 FIAF O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cccs2)cc1 13913051 JJEJCAOIJWQBMJ-FQEVSTJZSA-N 362.498 4.419 0 1 FIAF O=C(Nc1ccc(F)cc1F)N1CCC(n2cnc3cc(F)ccc32)CC1 35314287 ZACWAYJWFVAJTK-UHFFFAOYSA-N 374.366 4.323 0 1 FIAF CS(=O)(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1Cl 63540072 DMZYLMOMCDYHBI-UHFFFAOYSA-N 374.853 4.021 0 1 FIAF COc1ccc(-c2cc([C@@H](C)C(=O)O)ccc2C[C@H]2CCCC2=O)cc1 72104866 MUMHZZLGKYTZBE-RDTXWAMCSA-N 352.430 4.462 0 1 FIAF CCOC(=O)CCCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 96911368 KFZMXHQTFSGYLL-LJQANCHMSA-N 351.874 4.001 0 1 FIAF COc1cc2c(cc1OC)[C@@H](C(=O)c1ccc3occc3c1OC)CCO2 140522695 RDPLJZHJACEJNH-LBPRGKRZSA-N 368.385 4.208 0 1 FIAF CCOC(=O)[C@H]1C(=N)Oc2ccc3ccccc3c2[C@@H]1c1ccc(O)cc1 169689621 WNXLAKLDGWGQFO-AZUAARDMSA-N 361.397 4.226 0 1 FIAF c1cncc(-c2noc(SCc3nc4cc5ccccc5cc4[nH]3)n2)c1 586967381 VNWAFEMVLKPCRQ-UHFFFAOYSA-N 359.414 4.453 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](C(=O)C(F)F)CC3 586986821 OYHPDQULPDLBQV-LBPRGKRZSA-N 365.335 4.016 0 1 FIAF CCCc1sc(=N)[nH]c1-c1nc2cc(Br)c(C)c(C)c2[nH]1 587012667 DUCJHESNCJEXPP-UHFFFAOYSA-N 365.300 4.431 0 1 FIAF CN(C)CCOc1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 587033045 PTOSCGQVUYBTAP-UHFFFAOYSA-N 353.447 4.091 0 1 FIAF Cc1c(Br)cnc2[nH]c(/C=C\c3ccc(F)cc3F)nc12 587149672 PHFWUBJEINSKQA-HYXAFXHYSA-N 350.166 4.477 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(C)cc(Cl)cc41)[C@@H](C2)C3=O 587419454 FCYDCJKPTSYPGC-XOBRGWDASA-N 356.805 4.082 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc(OC)nc1C)CC2=O 587485814 KURBIELLTAWRGR-OAHLLOKOSA-N 355.434 4.023 0 1 FIAF C[C@]1(Cn2ccc(C(F)(F)F)n2)CC(=O)c2ccc3c(c2O1)CCCC3 587509248 RJUAXCMGJDMLCA-GOSISDBHSA-N 364.367 4.205 0 1 FIAF COc1cc(N)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587511227 OATCEIGUNFFGRR-QFIPXVFZSA-N 367.445 4.045 0 1 FIAF C[C@]1(c2cn(CCN)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587515068 IZIQJRXHFGVXQO-XMMPIXPASA-N 374.484 4.359 0 1 FIAF C[C@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549502 QNMHCQSFFZMACG-RHSMWYFYSA-N 352.308 4.455 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccoc2cn1 587588322 SPIKZYWITQFOKQ-WIYYLYMNSA-N 359.337 4.236 0 1 FIAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)n1 587589622 WDJRTJHSCXPUSP-KNQAVFIVSA-N 361.397 4.281 0 1 FIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1C 587592163 IIHUAFUNPTWCKU-UGKGYDQZSA-N 362.381 4.412 0 1 FIAF CCN(CC)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587738974 FBVUIBATSTZBNJ-SJKOYZFVSA-N 357.311 4.070 0 1 FIAF CCN(CC)CCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587741655 OHKVOCUZUZYEJR-SCLBCKFNSA-N 371.338 4.460 0 1 FIAF NC(=O)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784117 LRUNYDFUBJAARO-MDWZMJQESA-N 369.424 4.411 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C=O)cc2)N1 587815454 NBDTYZCROAWGKE-ADLMAVQZSA-N 362.242 4.198 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822302 JUMOQEZXUPIJSA-CDNVCLAFSA-N 368.290 4.487 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)OC(C)C 587862320 JYLCUMRMVZPDPZ-LLVKDONJSA-N 356.344 4.031 0 1 FIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 587938595 XTMZQSMLJIJCOS-QLJPJBMISA-N 350.340 4.427 0 1 FIAF C[C@@H](Cc1ccc(C(C)(C)C)cc1)C(=O)NC[Si](C)(C)c1ccccc1 653767933 WLWOBZRQAGJDPB-SFHVURJKSA-N 367.609 4.434 0 1 FIAF CN1CCc2c(Br)cccc2[C@@]12CSCCc1ccccc12 963290099 SYSWMDDEGCSNKM-IBGZPJMESA-N 374.347 4.470 0 1 FIAF COc1ccc(C=CCC(=Cc2ccc(OC)c(OC)c2)CO)cc1OC 2356466034 PKMAEVZFZPIKTR-UHFFFAOYSA-N 370.445 4.200 0 1 FIAF COc1c2c(c(C=CC(C)(C)O)c3oc(C)cc(=O)c13)OC(C)(C)C=C2 2356527040 UHVMLVOXDNEVNO-UHFFFAOYSA-N 356.418 4.078 0 1 FIAF C=Cc1nc2c(c(CC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 13585126 ZDECGPDTWNBJDK-UHFFFAOYSA-N 369.639 4.274 0 1 FIAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H](OC(C)=O)CC[C@H]12 15204491 VQHQLBARMFAKSV-ZSYZGHEHSA-N 356.462 4.400 0 1 FIAF Cc1cccc(-c2nc(Nc3ccc4n[nH]nc4c3)c3ccccc3n2)n1 43012074 XXWPJNRDUURTHE-UHFFFAOYSA-N 353.389 4.015 0 1 FIAF CCc1nn(CCO)c(CC)c1[C@H](OC)c1cc(Cl)cc(Cl)c1 45259989 HIVXGEOXIKJQBL-QGZVFWFLSA-N 357.281 4.043 0 1 FIAF CN(C)CC[C@]1(c2cccc(Br)c2)Cc2ccccc2C(=O)O1 53229998 CSVLCEPTAKAUNR-LJQANCHMSA-N 374.278 4.009 0 1 FIAF FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 58575315 YCXKREHMDGDOCM-UHFFFAOYSA-N 368.452 4.099 0 1 FIAF COc1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2c1CCN(C)C2 60115381 XXJNHNDBIKWVFB-UHFFFAOYSA-N 365.260 4.242 0 1 FIAF CN(C)CCCNCc1nccc2c3ccccc3n(Cc3ccccc3)c12 72118372 WZDYWWFYUYPKMQ-UHFFFAOYSA-N 372.516 4.279 0 1 FIAF O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccc(O)cc1 95575617 HKKLLOYASMDVND-UHFFFAOYSA-N 368.264 4.000 0 1 FIAF COc1cc(/C=C/c2nnc(-c3ccc(C)cc3)o2)cc(OC)c1OC 96284431 IEXILXPOQLTHQK-JXMROGBWSA-N 352.390 4.241 0 1 FIAF CCCCC[C@](C)(O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCSCC(=O)O 148571175 KCPJHQSGNZDCMD-HWFOWJIOSA-N 370.555 4.457 0 1 FIAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccccc5)n4)CCC3)cc2)cn1 149737792 MSWZIPDIUVHJGG-UHFFFAOYSA-N 369.428 4.246 0 1 FIAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C(=O)[C@@H](C)[C@@H]2C)cc1O 238734637 USTTXTJFVCFCIT-JOOBJXAISA-N 356.418 4.018 0 1 FIAF Cc1c(Br)cc2nc(-c3cnc([C@H](C)O)s3)[nH]c2c1C 587022810 ZDHJVOUTNKFEIC-QMMMGPOBSA-N 352.257 4.119 0 1 FIAF CSc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587123600 IXSIWMCXTPIZKP-ISVAXAHUSA-N 367.400 4.456 0 1 FIAF CCOC(=O)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587143027 STAIZTZXSHNDIQ-UHFFFAOYSA-N 363.186 4.308 0 1 FIAF O=C(CCc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(F)cc1 587163538 RCKJYWOJYBEEIN-UHFFFAOYSA-N 365.177 4.419 0 1 FIAF Fc1nc(Cl)ccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587177731 WQEYBOAJKHGRTC-UHFFFAOYSA-N 362.536 4.458 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3cc(F)cc(Br)c3[nH]2)c1 587242145 HTFZJDYYGLCUQK-UHFFFAOYSA-N 362.202 4.014 0 1 FIAF O=C(c1coc2ccccc12)c1c(CO)oc2cc(Br)cnc12 587275916 GZQHRNQXNBQPKS-UHFFFAOYSA-N 372.174 4.060 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)cccc1Br)O2 587382169 PEFRTGKGXRERJU-KRWDZBQOSA-N 364.214 4.359 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(OC)ccc(OC)c31)CC2=O 587481244 QHZKNBCIMBMKIT-JOCHJYFZSA-N 368.429 4.169 0 1 FIAF CCCCOC(=O)[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523779 POQWTURDJPDIIZ-GCJKJVERSA-N 356.462 4.413 0 1 FIAF C[C@@]1(c2ccc3c(c2)CCN3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598422 XQEICMCDVVGYEH-OFNKIYASSA-N 373.408 4.237 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)c(F)c2)N1 587724500 INGPXPBQUDNLRW-HUTHGQBESA-N 367.237 4.107 0 1 FIAF CNc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587742695 LWGJDOJLMIMFRG-ZMZPIMSZSA-N 363.274 4.428 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccccn23)N1 587771140 BOQXUCIAPFFNIU-ZMZPIMSZSA-N 374.257 4.034 0 1 FIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 587784802 JNTZPRPRMJUAET-GHMZBOCLSA-N 362.763 4.438 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccco2)N1 587825518 AJFYXZLITKZOJD-DYZYQPBXSA-N 366.230 4.204 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccnc1 587858538 JLERLPGKUXQJBG-UHFFFAOYSA-N 362.216 4.339 0 1 FIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(Br)c(F)c4[nH]1)(C3)C2 587970120 YXHVRKRCYIBEOQ-JIIRDLKHSA-N 363.230 4.111 0 1 FIAF CCCC(=O)[C@H]1C(=O)CC[C@H](c2cccc(Oc3ccccc3)c2)C1=O 957811103 UKDMTZGUPNXVMS-NQIIRXRSSA-N 350.414 4.480 0 1 FIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]21c2ccccc2CC12CCOCC2 963112516 PVEJORQQXXNJTR-YKSBVNFPSA-N 363.476 4.443 0 1 FIAF OCc1ccc(-c2cn3c(-c4ccc5ncccc5c4)cnc3cn2)cc1 1857582391 LPHMLXRWKGDBAT-UHFFFAOYSA-N 352.397 4.104 0 1 FIAF O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccn1)c1ccc2ccccc2c1 2382228292 MXIKPNWJFPZIEG-NOTZXAQLSA-N 371.484 4.160 0 1 FIAF CN(C(=O)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1)c1ccccc1 61903958 ZGCPXPLSQLKLNK-IBGZPJMESA-N 364.832 4.369 0 3 FIAF CN(C)c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1 4258522 BMEAWMCLBHWLHI-UHFFFAOYSA-N 355.445 4.370 0 1 FIAF CCC(=O)c1c(O)n(O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc12 13493892 PIQRROMZTHZMAK-UHFFFAOYSA-N 373.796 4.474 0 1 FIAF O=c1c2ccccc2nc(/C=C/c2cccc(O)c2)n1Cc1ccccc1 72136966 VZUZCNNUKKJGQZ-BUHFOSPRSA-N 354.409 4.321 0 1 FIAF Fc1cccc(F)c1CSc1nnc(-c2ccc3c(c2)OCCO3)o1 73162726 BOMKHFYHDHBMFU-UHFFFAOYSA-N 362.357 4.078 0 1 FIAF CS(=O)(=O)c1ccc(Nc2nccc3[nH]c(-c4ccccc4)cc23)cc1 74386982 VJKKOEFCSDZVCS-UHFFFAOYSA-N 363.442 4.377 0 1 FIAF COc1ccccc1NC(=S)Nn1ccnc1-c1ccc(Cl)cc1 98085664 WZMVANRKXQOWGG-UHFFFAOYSA-N 358.854 4.153 0 1 FIAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc4ocnc4cc3C[C@@H]21 100621324 HLCGGSSNIBQDAX-UZLBHIALSA-N 357.413 4.031 0 1 FIAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)n1cc(-c3ccccc3)c3ccccc31)C2 100810753 VWPSUDFXFCKZHR-RTBURBONSA-N 359.473 4.491 0 1 FIAF Nc1nnc(-c2ccc3[nH]cc(-c4cccc(C(F)(F)F)n4)c3c2)s1 145405729 HMTWWEPXQMGOSK-UHFFFAOYSA-N 361.352 4.349 0 1 FIAF CC(C)(C)Cn1nc(C(=O)NC(C)(C)c2ccccc2)c2c1[C@@H]1C[C@@H]1C2 299838926 RMUMGAJFWHELKP-GDBMZVCRSA-N 351.494 4.254 0 1 FIAF Fc1cc(Br)c2[nH]c(-c3csc4c3CCOC4)nc2c1 587031975 ODHWWHHOMYXOGO-UHFFFAOYSA-N 353.216 4.266 0 1 FIAF CCc1cc(OCc2nc3ccc(OCCN(C)C)cc3[nH]2)ccc1Cl 587052893 RSDKTCINWMRPPO-UHFFFAOYSA-N 373.884 4.298 0 1 FIAF N[C@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1Cl 587058815 ZUNXAGCYKGEFKG-GFCCVEGCSA-N 355.747 4.357 0 1 FIAF O=C(O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074876 FAKMPBOIJBOSSE-KRWDZBQOSA-N 355.825 4.252 0 1 FIAF FC(F)(F)c1nc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2[nH]1 587120481 KYSLZELUMKQYFL-UHFFFAOYSA-N 374.322 4.286 0 1 FIAF CC(=O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587126605 DGMPDHSQYYACGN-UHFFFAOYSA-N 360.295 4.207 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc4cccnc14)[C@@H](C2)C3=O 587417263 BAWPOZWORISYFJ-RNODOKPDSA-N 351.789 4.386 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)([C@@H](C)O)CC2=O 587460808 IIQBTVHLMRXGES-MPBGBICISA-N 360.837 4.240 0 1 FIAF C[C@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612048 TWNJCYLBIWTGRE-NFBKMPQASA-N 374.392 4.204 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnccc2Cl)N1 587696669 LSZYDQZUEQEBIB-VXJOIVPMSA-N 355.638 4.260 0 1 FIAF Cc1[nH]c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587794214 UCNZMWHYRNYOEY-WNWIJWBNSA-N 351.263 4.465 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)n[nH]2)N1 587796611 QGUYOEIZNIWJMV-XXFAHNHDSA-N 366.278 4.232 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCCCO 587863895 DFDWMODREQNBMR-UHFFFAOYSA-N 370.371 4.161 0 1 FIAF Cc1ccc([C@@]2(C)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cn1 962633851 GVUVMPAMDNNFGD-NOZRDPDXSA-N 369.512 4.400 0 1 FIAF COc1cccc2cc3c(nc12)[C@](C)(c1ccc(F)c(F)c1F)NCC3 963060509 TWDAFGZWIBKNEN-FQEVSTJZSA-N 358.363 4.070 0 1 FIAF COc1cc2oc(Sc3cccc(F)c3)cc(=O)c2c(OC)c1OC 2382245341 YTBNLMPOCZFDQE-UHFFFAOYSA-N 362.378 4.109 0 1 FIAF CC(=O)Nc1ccc(CNc2nc(NC(C)C)nc3ccsc23)cc1 61903335 ODXSEXDPPITMEP-UHFFFAOYSA-N 355.467 4.082 0 3 FIAF COc1ccccc1-c1cc(C(F)(F)F)nc(NCc2cccnc2)n1 2458850 ASMHTAVIHMTTGN-UHFFFAOYSA-N 360.339 4.178 0 1 FIAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccccc2)c(Cl)c1 4162324 SFBCQDCNWIHWHN-QXUMQBBKSA-N 365.816 4.444 0 1 FIAF C[C@@H](Oc1nn2c(-c3ccccc3)nnc2c2ccccc12)c1ccccn1 13559999 IUQSZUWRMNDZII-OAHLLOKOSA-N 367.412 4.480 0 1 FIAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)[C@H]5COC[C@]43C5)[C@@H]1CC[C@@H]2OC1CC1 25963011 VAEMUJTUEPUFST-DAYVSEOPSA-N 356.506 4.302 0 1 FIAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ccncc2)/C1=C(\O)OC1CCCCC1 27562634 LAMBLTTXAJXKPL-FDCFBWIESA-N 357.410 4.267 0 1 FIAF Cc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1 28474194 JJUVIDHWYKTILR-UHFFFAOYSA-N 370.456 4.437 0 1 FIAF COc1ccc(C(=O)C[C@H](O)c2ccc(OC)c(CC=C(C)C)c2)c(O)c1 28653854 OKIVVIFJBRWBCX-IBGZPJMESA-N 370.445 4.225 0 1 FIAF NC(=O)[C@H](NCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 28766980 RBNXRBVJRSVGDO-GOSISDBHSA-N 358.363 4.175 0 1 FIAF CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@]12C 29336317 AUAUCYBUJPIJEI-CEPNRSCBSA-N 374.521 4.059 0 1 FIAF CCN(CC)CCC[C@H](C)Nc1c2ccccc2nc2c1c(C)nn2C 32239424 AMXXUIJOSGAUEI-HNNXBMFYSA-N 353.514 4.352 0 1 FIAF Cc1ccc2c(c1)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]1N2 33827370 RKRCSBVUHKDOLG-CTNGQTDRSA-N 352.453 4.381 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CCC[C@@H](O)C3)s2)o1 40953376 WOQQURWNFMADML-NWDGAFQWSA-N 367.540 4.436 0 1 FIAF CCOP(=O)(OCC)c1ccccc1OC(=O)c1ccccc1Cl 68600522 CGYCKMPRCHNDKK-UHFFFAOYSA-N 368.753 4.451 0 1 FIAF biogenic Fc1ccc(Cl)cc1CNc1nnnn1-c1cccc(Cl)c1Cl 71333598 AHRNIFSVDCZWAR-UHFFFAOYSA-N 372.618 4.374 0 1 FIAF CC(=O)c1cccc(-c2cnc3ccc(-c4cccc(N(C)C)c4)nn23)c1 74386044 QJLXJMHGFHANPU-UHFFFAOYSA-N 356.429 4.332 0 1 FIAF CC[C@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 101771084 UMODTPQPINIWKV-YMPRXVIZSA-N 353.506 4.066 0 1 FIAF Cc1nc(SCC(=O)c2cccc(F)c2)n(Nc2ccccc2)c1C 103244298 NHQGUHZXYQBYRY-UHFFFAOYSA-N 355.438 4.489 0 1 FIAF Cc1c(S(=O)(=O)Nc2cccc(C(=O)O)c2)oc2ccc(C(C)C)cc12 114593570 ABHSBMGUZSTJRL-UHFFFAOYSA-N 373.430 4.364 0 1 FIAF CN[C@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 149992090 GUEFWAUMLRUJFE-LLVKDONJSA-N 350.443 4.396 0 1 FIAF COc1cc(Cl)ccc1-c1ccnc2[nH]c([C@@H]3CNC(C)(C)CO3)cc12 226057673 MLUMKTIDEGEXHP-SFHVURJKSA-N 371.868 4.331 0 1 FIAF Cc1nc2ccncc2n2c(-c3cc(COC(C)C)ccc3Cl)nnc12 299857406 CTYOOSCTADWWDM-UHFFFAOYSA-N 367.840 4.226 0 1 FIAF Cc1ccc(-c2ccc(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)cc2)o1 586905355 MLXUERPDCMEAQJ-UHFFFAOYSA-N 352.415 4.202 0 1 FIAF Cc1nn(Cc2nc3cccc(C(F)(F)F)c3[nH]2)c(C)c1Br 586979129 QULMVCMCHCEFEH-UHFFFAOYSA-N 373.176 4.206 0 1 FIAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(O)nccc2[nH]1 586981531 QEUWTBNNXOLNTH-UHFFFAOYSA-N 369.222 4.192 0 1 FIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cnccc3[nH]1)N2 587031861 QAMAAUYLETUZQB-QVASGMJFSA-N 371.491 4.085 0 1 FIAF COC(=O)c1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 587069940 MKLAFRFPCMJIIE-NSHDSACASA-N 356.809 4.379 0 1 FIAF Fc1cc2[nH]c(C(F)(Br)Br)nc2cc1Cl 587089071 XJIXQYWOSCTWFX-UHFFFAOYSA-N 360.383 4.225 0 1 FIAF NC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587094770 GOXHTAGZBUGPCV-UHFFFAOYSA-N 373.256 4.366 0 1 FIAF Cc1c(F)cc(-c2nc3ccc(I)cc3[nH]2)cc1F 587132407 FKGGJYZBIBGYMD-UHFFFAOYSA-N 370.140 4.421 0 1 FIAF COc1c(F)ccc(F)c1-c1nc2cc(Br)c(F)cc2[nH]1 587132628 GESMMGYBILUZPI-UHFFFAOYSA-N 357.129 4.418 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1c[nH]c3ccccc13)O2 587396356 JQELQXWFJSGKKO-QHCPKHFHSA-N 369.424 4.363 0 1 FIAF COc1cc2c3c(c1)O[C@H]([C@@H](C)c1cccc(Br)c1)[C@@H](C2)C3=O 587417805 MHQXGARSKWEFPH-WBUIGNHESA-N 373.246 4.377 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1nc4c(s1)CC(C)(C)CC4)[C@@H](C2)C3=O 587450103 DKRVJNFGUYFCAZ-SGTLLEGYSA-N 355.459 4.155 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(C1(O)CCCCC1)[C@@H](C2)C3=O 587451217 QIVBRXZKSLHMEW-FDDCHVKYSA-N 364.441 4.033 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(CC)c1C(F)(F)F)CC2=O 587464657 VJIKLPPACLRKOA-OAHLLOKOSA-N 368.355 4.286 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc3c(c1)OCCO3)CC2=O 587493189 SWDLPXCMHCOEEO-HNNXBMFYSA-N 368.429 4.083 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(O)c(F)c1 587559842 ZRYNVJRSZLPWEU-OXQOHEQNSA-N 370.307 4.079 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2Cl)N1 587691935 AIJNQWMBAQDZLQ-ANRSDYALSA-N 355.638 4.260 0 1 FIAF Cc1nn(C(C)C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587763916 NILZVQXMJWLTRC-QGHHPUGFSA-N 366.278 4.298 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3ccccc32)N1 587798686 VITLSOXTEFPIQP-ADLMAVQZSA-N 361.258 4.182 0 1 FIAF CC(C)CC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814925 WVJUVVHQBVWGMA-APPDUMDISA-N 356.279 4.343 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)N1 587826718 IPKAWKLLMZXUDW-SAHSDUOYSA-N 350.275 4.384 0 1 FIAF COc1ccc(-c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)cc1OC 587929606 YOVXKGSANMYFKN-UHFFFAOYSA-N 366.808 4.309 0 1 FIAF O=C1c2ccccc2[C@@]2(NCCc3ccc(O)cc32)c2c(Cl)cccc21 963329765 SURDMLVMGCPWPN-QFIPXVFZSA-N 361.828 4.028 0 1 FIAF Cc1cccc(C)c1-c1cccc([C@@]2(c3ccccc3)NC(=N)N(C)C2=O)c1 1857567426 XDRDIAWLSMUCBG-XMMPIXPASA-N 369.468 4.210 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C(C)=CCC=C(C)C)[C@@H]2[C@@H]1CO[C@H]1CC(=O)[C@H]2[C@H]1C 2356756236 KKDFVJMHBWOJRT-XQZRQBSVSA-N 360.494 4.097 0 1 FIAF COc1ccccc1C1=NO[C@](C)(c2nnc(-c3cccc(Cl)c3)o2)C1 12477998 FWEDUAWAWWNMPC-IBGZPJMESA-N 369.808 4.438 0 3 FIAF CC1(c2nnc3ccc(-c4ocnc4-c4ccc(F)cc4F)cn23)CC1 3948882 ZBSUTYBJWPJEPR-UHFFFAOYSA-N 352.344 4.381 0 1 FIAF O=C(CCCN1CC[C@](O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 12356157 BETHXCLHMRGYBW-HXUWFJFHSA-N 361.844 4.036 0 1 FIAF in-vitro C[C@@H](C(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21)c1ccccc1 13862173 OMIHAHIFOQOGBE-CYBMUJFWSA-N 358.393 4.147 0 1 FIAF CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1F 28827116 NYAIYQKWZFWRCU-UHFFFAOYSA-N 369.440 4.442 0 1 FIAF in-vitro CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)CC3=O 29133354 KLWSFYNEUJORRI-LLVKDONJSA-N 354.402 4.283 0 1 FIAF COc1ccc([C@H]2CC[C@H](OCCCCc3cccnc3)O2)cc1OC 29309342 OHMYPLMLHSXMER-WIYYLYMNSA-N 357.450 4.316 0 1 FIAF OCCN1CCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 36160959 VROCHRIONFIYID-FQEVSTJZSA-N 351.425 4.012 0 1 FIAF CCN(CC)CCC[C@H](C)Nc1cc(OC)c2c(C)ccnc2c1OC 39298433 OVOIBRBKNUXNLV-INIZCTEOSA-N 359.514 4.483 0 1 FIAF Nc1ncnc2c1c(Cc1cccc3ccccc13)nn2Cc1ccccc1 71296190 CMBDYQBCOSPKIJ-UHFFFAOYSA-N 365.440 4.201 0 1 FIAF O=c1cc(Cn2c(CC3CC3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1 72108724 PUXZHYROYCVZAX-UHFFFAOYSA-N 365.383 4.157 0 1 FIAF COc1ccc(-c2nnc(C3CCNCC3)s2)cc1OC1CCCC1 72170739 HQRJLNHEIJVLAK-UHFFFAOYSA-N 359.495 4.002 0 1 FIAF CCN(CC)C(=O)COC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 72179696 CPXCAPBAMQTLMQ-HNNXBMFYSA-N 357.425 4.008 0 1 FIAF O=C(CCCN1CCN(c2ccccc2)CC1)c1nc2ccccc2s1 84713686 ZTZYCYCBNHVENU-UHFFFAOYSA-N 365.502 4.081 0 1 FIAF COc1ccc(C[C@H](C)[C@@H](C)[C@H](O)c2ccc(OC)c(OC)c2)cc1OC 86048073 JHEXMPZEYDIRNZ-KIMHZCHSSA-N 374.477 4.269 0 1 FIAF biogenic Cc1nc2sc(C(=O)N[C@H](C)c3cccnc3)c(N)c2c(C)c1Cl 95593358 JFNKBSKDMAVUCH-SECBINFHSA-N 360.870 4.035 0 1 FIAF CC(C)COc1cccc2occ(/C=C/[C@@H](O)c3ccc(O)cc3)c(=O)c12 95598027 MKXQGQSODXUMAB-VEGGFIAOSA-N 366.413 4.280 0 1 FIAF COc1cccc([C@@H](C)NC(=O)Nc2nc(-c3ccncc3)cs2)c1 95920566 PZUHTMLHMMXBQW-GFCCVEGCSA-N 354.435 4.096 0 1 FIAF in-vitro CCCn1c(=O)c2nc(C34C[C@H]5CC3C[C@@H](C5)C4)[nH]c2n(CCC)c1=S 100748790 OFLHGBYHEGLLNJ-CWTUVTILSA-N 372.538 4.153 0 1 FIAF C[C@H](c1ccc2ncccc2c1)c1noc2ncc(-c3cnn(C)c3)cc12 139956098 QSTCOJRUYOXJPY-CYBMUJFWSA-N 355.401 4.323 0 1 FIAF O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@@H]2CCNC2)cc1Cl 149975382 LPJMSXKDQBATGX-LLVKDONJSA-N 351.237 4.109 0 1 FIAF O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)c(Cl)n21 203794387 DRXSBJILZHMYIN-UHFFFAOYSA-N 371.799 4.285 0 1 FIAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(C3CC3)c2n1 207622177 BQNGELQJIILDMM-UHFFFAOYSA-N 372.432 4.055 0 1 FIAF Nc1ccc(-c2ccc3nc(-c4ccccc4/C=C\C(=O)O)[nH]c3c2)cc1N 586879640 MCVQQSFEMNPXNH-YFHOEESVSA-N 370.412 4.159 0 1 FIAF CC(C)C[C@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586901586 SRLACCMOELCCOI-JTQLQIEISA-N 351.166 4.424 0 1 FIAF Cc1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587002802 OJSPQGXDSIFFBL-UHFFFAOYSA-N 355.239 4.226 0 1 FIAF C[C@H](O)c1ncc(-c2nc3cc(Br)cc(Cl)c3[nH]2)s1 587022803 YZMTWWMWUGBWIT-YFKPBYRVSA-N 358.648 4.156 0 1 FIAF Cc1cc(Cl)ccc1OCCCc1nc2cc(F)cc(C(=O)O)c2[nH]1 587066886 UDHZDYDUDOXEFI-UHFFFAOYSA-N 362.788 4.374 0 1 FIAF Cc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Br 587121968 AVGFCBSYBUNXHB-UHFFFAOYSA-N 368.181 4.340 0 1 FIAF Cc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1C 587143973 GPTZBIWGHZSFNC-CQSZACIVSA-N 362.246 4.324 0 1 FIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 587242445 TUFUGKLEIVRCHE-GOSISDBHSA-N 365.437 4.328 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3ccc(Br)c(F)c3[nH]2)c1 587242849 VGHIIMSNHFOSMK-UHFFFAOYSA-N 362.202 4.014 0 1 FIAF CCO[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357063 SCOYFOWYHLYDSX-SFHLNBCPSA-N 356.393 4.218 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(C)ccc1N)O2 587389751 LWULPRYMVCQARF-HSZRJFAPSA-N 358.441 4.377 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587421609 QGNRJEGQHPRRIU-UGSOOPFHSA-N 364.319 4.082 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1CN1CCCCC1)[C@@H](C2)C3=O 587442372 IQYJIHNKKAUIJW-CVDCTZTESA-N 363.457 4.170 0 1 FIAF Cc1nn(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1Cl 587510262 YCUFXUKBNJMHND-FQEVSTJZSA-N 358.869 4.456 0 1 FIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2c1OCO2 587535945 PLNOJAPNLKRCCL-QGZVFWFLSA-N 352.386 4.009 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ncc1Cl 587570659 OXKMEJRGQDYWPA-QFBILLFUSA-N 371.751 4.283 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nccnc12 587588106 RWJGJZGBNPQLMU-AVRDEDQJSA-N 370.364 4.038 0 1 FIAF CC(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)no1 587588281 SEBQZQSEODCEGU-FXAWDEMLSA-N 351.358 4.207 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCCC2=O)N1 587818853 FUUMGASXVVFEFS-YOIRWDDOSA-N 354.263 4.097 0 1 FIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(Br)cc3[nH]2)cc1 587934334 CDIWDJPBZAVUCO-QLJPJBMISA-N 361.239 4.171 0 1 FIAF CCc1ccc(C(=O)CCc2nc3cc(Br)ncc3[nH]2)cc1 587954938 FCEZBFBBOHJUFG-UHFFFAOYSA-N 358.239 4.098 0 1 FIAF O=C(N=c1cc[nH]cc1)Nc1cc(-c2cccnc2)cc(C(F)(F)F)c1 653768383 WKFCMHYQGYLXRA-UHFFFAOYSA-N 358.323 4.228 0 1 FIAF O=C(O)CCCCCC[C@]1(c2ccccc2)NCCc2ccc(O)cc21 963343356 UMHPERTZZHDYOM-JOCHJYFZSA-N 353.462 4.207 0 1 FIAF Clc1c(O[C@H]2CCc3ccccc3C2)ccn2c(CC3CC3)nnc12 1772647810 SDRIEHGRECQMCB-INIZCTEOSA-N 353.853 4.272 0 1 FIAF Cc1ccc(CN2CCCN(C(=O)c3ccc4ccccc4n3)CC2)c(C)c1 1911577537 KLWQEQLUGYXNFJ-UHFFFAOYSA-N 373.500 4.200 0 1 FIAF CC(=O)Oc1ccc([C@H](c2ccc(Cl)cc2)c2cccc[n+]2[O-])cc1 2382220001 JWAAPNYCQOVZEO-FQEVSTJZSA-N 353.805 4.079 0 1 FIAF Cc1c(C(=O)NC2CCCCC2)sc2ncnc(N3CCCC[C@@H]3C)c12 2924171 NCKMRLOGVOMGQM-ZDUSSCGKSA-N 372.538 4.441 0 1 FIAF Brc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1 3817805 DIDDNVPEZKJYOM-UHFFFAOYSA-N 351.207 4.449 0 1 FIAF Oc1c2c(nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCS2 13536726 LXSJWKBXINRCBS-UHFFFAOYSA-N 354.275 4.264 0 1 FIAF O=c1ccoc2cc(OCCCN3CC=C(c4ccccc4)CC3)ccc12 13860919 DWINBSDTUZJIEX-UHFFFAOYSA-N 361.441 4.351 0 1 FIAF COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)cc2c1OCO2 14646462 AUXKXHAVSAUIQX-UONOGXRCSA-N 356.418 4.210 0 1 FIAF biogenic CCOC(=O)C1=C(C)N=C(C)N(C(=O)OCC)[C@H]1c1ccccc1Cl 26466565 RAWYSFMYGLCBOS-INIZCTEOSA-N 364.829 4.109 0 1 FIAF Oc1ccc2c(CCCN3CCN(C4CCCCC4)CC3)cccc2c1 28711318 YYBNNSAXTOUCNR-UHFFFAOYSA-N 352.522 4.428 0 1 FIAF Cc1cccc(NC(=S)Nc2ccc(-c3cnc4ccnn4c3N)cc2)c1 40915283 MFMNPOIVJWIMGB-UHFFFAOYSA-N 374.473 4.096 0 1 FIAF c1cc2cc(-c3nc(N4C[C@@H]5CC[C@@H](C4)O5)c4sccc4n3)ccc2[nH]1 101307037 XGYOLCHTMBWRGA-GJZGRUSLSA-N 362.458 4.207 0 1 FIAF Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1OCCCCF)CC2 103268393 NIMQPLYMAJLLNI-LJQANCHMSA-N 359.441 4.004 0 1 FIAF NC1(c2ccc(-c3nc4nc(O)ccn4c3-c3ccccc3)cc2)CCC1 113656808 YANODRAYNDRPAT-UHFFFAOYSA-N 356.429 4.107 0 1 FIAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)O)cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169372134 YRTQKPWOTFXIJI-TVHXCBJHSA-N 358.478 4.296 0 1 FIAF C[C@H]1c2[nH]c3ccc(Br)cc3c2Cc2c(O)n(C)c(=S)n21 169729597 BAJFEHMZQBHTJN-ZETCQYMHSA-N 364.268 4.019 0 1 FIAF CC(=O)O[C@H]1C=C(C(C)C)C=C[C@@](C)(O)CCC=C(C)CC[C@@H]2O[C@@]12C 253666948 HVKLCFQGBOCFBB-MYGLTJDJSA-N 362.510 4.486 0 1 FIAF O=C(N[C@@H](Cc1cc2ccccc2o1)C(=O)O)c1ccc2ccccc2c1 299830673 OPSTZHUZGYIIHY-IBGZPJMESA-N 359.381 4.012 0 1 FIAF COc1cc(Br)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 299866732 WMDYRNARZOYASZ-KGLIPLIRSA-N 364.214 4.339 0 1 FIAF Fc1cc2c(cc1-c1cccnc1)CCc1nnc(Cc3ccccc3)n1-2 299867014 XGKYYLVDPVAAFB-UHFFFAOYSA-N 356.404 4.158 0 1 FIAF CCn1cc(C(=O)N2CCC[C@H](c3cc4ccccc4n3C(C)C)C2)cn1 473134041 BFJXCJBBYLHASN-SFHVURJKSA-N 364.493 4.458 0 1 FIAF CCCC(Br)(CCC)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586971267 QBCNWMKKLUNRHJ-UHFFFAOYSA-N 366.259 4.084 0 1 FIAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@@H](C(=O)O)C4)-c1ccccc1C2=O 587101037 JMZVVYBJZRYLGE-LRDDRELGSA-N 357.409 4.190 0 1 FIAF CSc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587150774 TYTMNQWVMMQPNH-LBPRGKRZSA-N 373.428 4.079 0 1 FIAF Fc1cc(Br)c2[nH]c(Cc3c(F)cncc3Cl)nc2c1 587176148 PDUVAVRTFXFTBA-UHFFFAOYSA-N 358.573 4.243 0 1 FIAF Cc1cnc(Cl)c2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc12 587232816 BKBARBIJHXBWTJ-WDEREUQCSA-N 350.850 4.081 0 1 FIAF CCCOc1ccc2[nH]cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 587436687 AHSZLDGVRXSEQA-OPAMFIHVSA-N 363.413 4.454 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ncnc1Cl)CC2=O 587462471 QLCCMUPJKNAFTK-GFCCVEGCSA-N 353.205 4.148 0 1 FIAF O=c1c2cc(Cl)ccc2cnn1-c1nccc(-c2ccc(Cl)cc2)n1 587652260 ZTAHHRWNNOACOC-UHFFFAOYSA-N 369.211 4.150 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccnc2Cl)N1 587714822 BRYDGFYHMAPPGD-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(F)cc2Cl)N1 587736797 XASPMZMTVSXPTP-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C(C)C 587766854 XKGKPXMDCYUPIB-QGHHPUGFSA-N 366.278 4.298 0 1 FIAF CCC[C@@]1(CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587800753 YWPLKWUNXGQQOP-DIFFPNOSSA-N 372.278 4.071 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccnc3[nH]2)N1 587805375 UDLCMGMKYRFRNR-JDNHERCYSA-N 360.230 4.088 0 1 FIAF COc1ccc(CCNC(=O)/C=C/c2cccc(Cl)c2Cl)cc1 653746711 SHDLHUJWUJGNJY-JXMROGBWSA-N 350.245 4.374 0 1 FIAF COc1cccc([C@H]2CC(c3ccc(-n4cccc4)cc3)=NN2C(C)=O)c1 653791927 OMNAHXRVGIIEKZ-JOCHJYFZSA-N 359.429 4.184 0 1 FIAF Clc1ccc2c(n1)CC[C@]21c2ccsc2CCN1Cc1cccnc1 962995300 FOPUTTZCFFICHO-HXUWFJFHSA-N 367.905 4.440 0 1 FIAF FC(F)Oc1ccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)cn1 963010422 NPGLTNZFQWJHMR-GOSISDBHSA-N 373.428 4.287 0 1 FIAF Cc1nc(-c2cccc3ccccc23)sc1C(=O)N1CCC[C@@H](O)CC1 1772657383 OBUFCLXOXFTCTJ-MRXNPFEDSA-N 366.486 4.259 0 1 FIAF COC(=O)C(C)(C)CCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 1857548792 YIYNTBHDUSMIFY-HXUWFJFHSA-N 365.901 4.247 0 1 FIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cccc(OC)c21 1857594833 RQSNVXLIORWLCU-UHFFFAOYSA-N 358.441 4.349 0 1 FIAF CCCCCCC1=C(c2ccccc2)[C@@H]2CC[C@H](NS(N)(=O)=O)[C@@H]2C1 1911583266 RYJYBNIQBMJTFO-QRVBRYPASA-N 362.539 4.002 0 1 FIAF Cc1ccccc1NC(=O)c1[nH]c(=S)nc(N)c1-c1ccccc1C 644776 PRVJTEBVNBFCRL-UHFFFAOYSA-N 350.447 4.258 0 1 FIAF O=c1c2ccccc2c(-c2cccnc2)nn1CCSc1ccccc1 3804643 AFJSIBLKRGAARR-UHFFFAOYSA-N 359.454 4.251 0 1 FIAF COc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 14819373 DPWCTCFTFSFYCZ-INIZCTEOSA-N 354.402 4.322 0 1 FIAF biogenic CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)CCc3c(cc4occc4c3C)[C@@]12C 14883752 HXWQDWYRBCPQLK-ILWGZMRPSA-N 356.462 4.428 0 1 FIAF O=C(Nc1cccc2c1Cc1ccccc1-2)[C@@H]1CC(=O)N(C2CCCCC2)C1 14959381 FWSVJQAZHHERRH-QGZVFWFLSA-N 374.484 4.378 0 1 FIAF CC[C@@H]1CN(C(=O)Nc2ccccc2)CC[C@@H]1CC(=O)Nc1nccs1 25429956 NUNVCDFYQSKZTK-HUUCEWRRSA-N 372.494 4.052 0 1 FIAF biogenic O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccccc3c(=O)c21 27099454 CAGOCZMIRJLYIE-LBPRGKRZSA-N 357.331 4.460 0 1 FIAF CCOC(CSc1nc(-c2ccccn2)c(-c2ccccn2)[nH]1)OCC 27438700 HNRIPMWXOJJSPC-UHFFFAOYSA-N 370.478 4.025 0 1 FIAF FC(F)(F)c1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 28383125 SKDVTITYKQZQFL-UHFFFAOYSA-N 367.334 4.410 0 1 FIAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 29217596 TXKQIJMFIKPRKR-ADQLXAGTSA-N 367.533 4.225 0 1 FIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CN(C(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29404990 YXKNWBJKYNIVOY-VUZIEMLISA-N 361.526 4.029 0 1 FIAF CN(C)Cc1cn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2s1 45496168 ZMLAYUNPFXQQKE-UHFFFAOYSA-N 352.438 4.326 0 1 FIAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2ccccc2)C1 82133195 GTEPMUUQSVWVEG-IYBDPMFKSA-N 364.493 4.084 0 1 FIAF FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1 84690942 ALHRVGZKDIGNOD-UHFFFAOYSA-N 368.452 4.447 0 1 FIAF Nc1ccc2c(c1)/C(=C(\c1ccccc1)c1nc3ccccc3[nH]1)C(=O)N2 84741520 VUGNKDMNPGNWRJ-VXPUYCOJSA-N 352.397 4.056 0 1 FIAF CCOC(=O)c1c(O[C@H]2CCCC[C@@H]2C)cc(Cc2ccccc2)[nH]c1=O 95591315 FWOVIMRVMZFCMB-YJBOKZPZSA-N 369.461 4.100 0 1 FIAF O=C(C/C=C/c1cccc(Cl)c1)Nc1nc2ccccc2c(=O)s1 96905827 VFVRYMSPQLJZMY-GQCTYLIASA-N 356.834 4.352 0 1 FIAF CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 103351583 PVSFTAKJIOLKFC-SFHVURJKSA-N 354.450 4.478 0 1 FIAF Cc1cccc(C)c1-c1cccc(COc2cnc(CCC(=O)O)cn2)c1 169349549 HQMHKIMMZMBUTR-UHFFFAOYSA-N 362.429 4.357 0 1 FIAF COC(C)(C)/C=C/c1c2c(c(O)c3c(=O)cc(C)oc13)C=CC(C)(C)O2 238744274 BWJYXYYUQNUPAF-CMDGGOBGSA-N 356.418 4.429 0 1 FIAF COc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1OC 587135328 XEGNLLGNZFXLSG-ONEGZZNKSA-N 370.277 4.446 0 1 FIAF Fc1ccc2c(c1)C[C@H](c1nc3c(Cl)c(Br)cnc3[nH]1)O2 587174316 ODWASSOXXDLTJW-SNVBAGLBSA-N 368.593 4.189 0 1 FIAF COc1ccccc1Nc1ccccc1-c1nc2ccc(C(N)=O)cc2[nH]1 587241150 VPKBERPCQMEOIR-UHFFFAOYSA-N 358.401 4.081 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(Cl)cc3)nc1C)O2 587380256 RUSCKFPBEIRDFU-LJQANCHMSA-N 367.836 4.431 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc(Cl)nc1Cl)O2 587380506 VOEGZLXHDHOLGA-SECBINFHSA-N 358.612 4.034 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1cccs1)(c1cccs1)O2 587411065 ATQQWWMWELZLQN-LJQANCHMSA-N 369.467 4.444 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4cccn4)c(Cl)c1)[C@@H](C2)C3=O 587418700 AQAFURWERKSIBU-VBKZILBWSA-N 366.804 4.023 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1occc1Br)CC2=O 587457536 JUTQGIORHCIUSJ-CQSZACIVSA-N 351.196 4.407 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(COC(C)=O)cs1)CC2=O 587496367 WSGNDNDCGJSATA-FQEVSTJZSA-N 374.458 4.350 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1Cl 587551750 JFBJUGRJCPIACL-VQIMIIECSA-N 353.761 4.144 0 1 FIAF Cc1ccc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 587565315 ALMOJDKQOSIIRF-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF C[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604281 RYQSMMOXTGIFNW-ZTWLPKFNSA-N 358.393 4.442 0 1 FIAF CC[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619033 QHVBEFZBYLTNAM-BEFAXECRSA-N 353.399 4.116 0 1 FIAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1c(F)cccc1F 587624874 VXVTZHNKEPULMK-UHFFFAOYSA-N 363.747 4.426 0 1 FIAF Cn1c(CO)cnc1Sc1c(-c2ccc(F)cc2)[nH]c2cccc(F)c12 587634957 WFHGESXYHKTFQS-UHFFFAOYSA-N 371.412 4.490 0 1 FIAF Cc1ccc2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 587775679 TVYDBRJKRNQRNG-VOJFVSQTSA-N 374.257 4.168 0 1 FIAF CCOc1ccccc1-c1cccc(-c2nc3cccc(C(N)=O)c3[nH]2)c1 587780144 LVLMHACSSYMOAA-UHFFFAOYSA-N 357.413 4.395 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1c(C)cccc1C 587870949 WCRGYUBLUOMSRH-UHFFFAOYSA-N 368.408 4.424 0 1 FIAF COc1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 587931629 LKZSSVVOYAGSOG-UHFFFAOYSA-N 371.396 4.236 0 1 FIAF CC(C)C1=CC=C[C@]2(C(=O)C1)c1ccsc1CCN2Cc1cccn1C 962375082 RKSGEYRNJARKET-JOCHJYFZSA-N 366.530 4.452 0 1 FIAF O=c1oc2ccc(Cl)cc2c(Cl)c1[C@@H]1NCCc2ccc(O)cc21 963352564 MFQSRGHYBXGKCU-QGZVFWFLSA-N 362.212 4.041 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(O)cc1C(F)(F)F 963610215 OMRJAYYXUZWMBM-XTZNXHDOSA-N 367.367 4.052 0 1 FIAF CCOC(=O)c1ccnc(-c2cc(/C=C/c3ccc(N)cc3)ccc2O)c1 1857557949 JQXWTLWPPLGJEZ-ONEGZZNKSA-N 360.413 4.384 0 1 FIAF Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(cc2c1N)COCC3 2382245852 WYQXYPUZQDEPNO-UHFFFAOYSA-N 373.865 4.165 0 1 FIAF COc1cccc([C@](C)(O)c2nc(-c3ccc(N(C)C)cc3)cs2)c1 61905677 PKFVENGYFWNNRQ-FQEVSTJZSA-N 354.475 4.141 0 3 FIAF COc1c2c(c3ccc(=O)oc3c1/C=C/C(C)(C)OC)OC(C)(C)C=C2 13374864 DOXLEULKLKKQAR-PKNBQFBNSA-N 356.418 4.424 0 1 FIAF Cc1ccc(CN2CCc3nc(Nc4ccc(F)cc4)ncc3C2)s1 21038920 HZOMEZVGWLZYCE-UHFFFAOYSA-N 354.454 4.288 0 1 FIAF COP(=O)(OC)C(CCCc1ccccc1)P(=O)(OC)OC 29224907 GZQHVRLGRSLEHX-UHFFFAOYSA-N 350.288 4.307 0 1 FIAF Cc1csc(-c2cc(-c3ccc[nH]3)c3n(c2=O)CCCc2ccncc2-3)n1 29403823 KJPFVEHEGGIJIJ-UHFFFAOYSA-N 374.469 4.284 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H](OCC)[C@H](O)CCCCCCCC(=O)O 33820376 BHDZXVBBVBHNKG-BWHNKTFFSA-N 358.519 4.065 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H](OC)[C@@H](CCCCCCCC(=O)O)OC 33820466 NOFLXSQXUWLFHC-KLICOSGESA-N 358.519 4.329 0 1 FIAF c1ccc([C@@H]2CN(C3CC3)CC3(CCN(Cc4cscn4)CC3)C2)cc1 95382942 DUMZSCNJOLNXMP-IBGZPJMESA-N 367.562 4.377 0 1 FIAF CN(C)CCCCCCCCCCCC(=O)NC[C@@H](O)c1ccccc1 95592346 AKNVGMDAOUHYPC-OAQYLSRUSA-N 362.558 4.299 0 1 FIAF Clc1ccc([C@H](CNCc2ccccc2)Cn2cncn2)c(Cl)c1 103174846 BJSDUMXLGOEJOO-OAHLLOKOSA-N 361.276 4.159 0 1 FIAF CCN(C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)C(C)C 166833571 BKOHVHHKVMUBLH-UHFFFAOYSA-N 351.450 4.105 0 1 FIAF O=C(O)c1cc(F)cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586895216 VFMDKWSUSVUPRV-UHFFFAOYSA-N 362.360 4.227 0 1 FIAF C[C@H](Sc1ncccn1)c1nc2ccc(Br)c(F)c2[nH]1 586961824 MDGWWQUMGFZJJU-ZETCQYMHSA-N 353.220 4.108 0 1 FIAF COc1cc2nc(COc3ccc(Br)cc3C)[nH]c2cc1F 586980932 HKMIDNRDBJASRW-UHFFFAOYSA-N 365.202 4.361 0 1 FIAF CC(C)(CCC(=O)O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990943 OQCDOQTWOFNDOI-UHFFFAOYSA-N 361.397 4.294 0 1 FIAF FC(F)(F)Oc1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587034010 BKWPFEUOSKQIJW-GFCCVEGCSA-N 354.353 4.380 0 1 FIAF COc1cc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2cc1OC 587051633 QLYILMPMHYTOJG-UHFFFAOYSA-N 373.840 4.495 0 1 FIAF Oc1ccc(-c2nc3cccc(I)c3[nH]2)c(Cl)c1 587053343 CXVMXSNXULUDFL-UHFFFAOYSA-N 370.577 4.194 0 1 FIAF O=C1CCc2cc3[nH]c(-c4cc(-c5cccc(Cl)c5)[nH]n4)nc3cc2N1 587068195 LCCOQMWGSLDEOD-UHFFFAOYSA-N 363.808 4.158 0 1 FIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccc(Br)c2[nH]1 587071103 VYTUCXJDYJOMAT-NSHDSACASA-N 364.674 4.264 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cccnc32)[C@H]1c1ccc(F)cc1 587346860 NUMXUHYZTFCJKB-UGKGYDQZSA-N 361.372 4.127 0 1 FIAF CCCN1CCCc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 587402187 ZDGGYMOCHOWUBY-OAQYLSRUSA-N 350.462 4.446 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(C)cccc1Br)[C@@H](C2)C3=O 587412589 JBQZSSDFNQRPHO-KPZWWZAWSA-N 359.219 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccncc4)cc1)[C@@H](C2)C3=O 587436189 MYHOPPCLLLEMPA-CVDCTZTESA-N 373.408 4.158 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(OC)cc(C)c1O)CC2=O 587481792 SGMNTWPODSUSNW-GOSISDBHSA-N 356.418 4.382 0 1 FIAF Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2oc(=N)[nH]c2c1 587511688 RNDJRRPCAHZYGL-JOCHJYFZSA-N 362.429 4.308 0 1 FIAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 587770920 KPAYQJUUXSFENN-KZULUSFZSA-N 363.274 4.398 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c[nH]nc23)N1 587799049 VZTIOEKQHBYLOC-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CC(C)(C)C2)N1 587823513 PUBTYOGCPNALJY-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(-c2ccc(C)o2)n1 587871701 NKNADLXMQRSPFM-UHFFFAOYSA-N 364.380 4.436 0 1 FIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Br)ncc2[nH]1 587933923 AFWDJMLSDPLJDD-UHFFFAOYSA-N 370.250 4.301 0 1 FIAF O=S(=O)(c1ccc2nc(CC3CCCCCC3)[nH]c2c1)C(F)(F)F 587961664 VSMCSIGMMBXKRQ-UHFFFAOYSA-N 360.401 4.369 0 1 FIAF CC[C@@]1(Cc2nc3cc(OC)c(F)cc3[nH]2)CC(=O)c2ccccc2C1 587961781 UIFFMMYLMZGKKQ-NRFANRHFSA-N 352.409 4.479 0 1 FIAF CCC(=O)Nc1cccc(N=c2[nH]c(Nc3ccccc3)ncc2Cl)c1 621431439 HPVLUUVEKZVECM-UHFFFAOYSA-N 367.840 4.388 0 1 FIAF OCC[C@@H]1Cc2ccccc2[C@H](CCN2CCC(c3ccccc3)CC2)O1 653827696 RHMYTMKRWYOXNZ-VWNXMTODSA-N 365.517 4.321 0 1 FIAF CC(C)CCOc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962907128 ZTHHTYUHHABNSK-SIKLNZKXSA-N 371.452 4.113 0 1 FIAF O=C1OC[C@H](Cc2ccc(O)cc2)[C@H]1Cc1ccc(Cl)c(Cl)c1 1772583615 YELFFLZPFDCFBI-DZGCQCFKSA-N 351.229 4.273 0 1 FIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CC=CCCCC(=O)OC 2356376479 TWECVLQAVWUYGO-CEXWTWQISA-N 350.499 4.369 0 1 FIAF C[C@@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@@H]13 2356381094 AENSHGKORGDOBI-HIPABKABSA-N 357.538 4.421 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](C(=O)CO)[C@@]4(C)CC[C@@H]32)C1 2356695011 PXJSGBDQUJYNKD-HKZQYKGFSA-N 374.521 4.059 0 1 FIAF C[C@@H](C(=O)O)c1ccc(C(=O)c2cccc(-c3occc3C(=O)O)c2)s1 2382249454 OBVPXZZNHDKFLW-SNVBAGLBSA-N 370.382 4.125 0 1 FIAF CC[C@@H](C)CNC1CCN(c2nc(C)c3cc4c(cc3n2)CCC4)CC1 11813929 NPCKKKYMYWSCKL-OAHLLOKOSA-N 352.526 4.031 0 1 FIAF O=S(=O)(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccc1 13535913 FYYSYFOJZPFEJJ-UHFFFAOYSA-N 357.822 4.170 0 1 FIAF COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@H](C)[C@@H](C)C2 14641054 QHLOLFAIJRCECK-ZBUHCNDUSA-N 358.434 4.084 0 1 FIAF biogenic CC[C@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)NC1CCCCC1 25427596 TYDVSRURAZWLCY-PKOBYXMFSA-N 356.510 4.014 0 1 FIAF biogenic CCCCOC(=O)c1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2C)cc1 26162061 FFVQOXGUFBLTJA-UHFFFAOYSA-N 372.469 4.319 0 1 FIAF COc1ccc(C[C@H]2NC[C@@H](C)c3c2[nH]c2c(C)cccc32)cc1OC 26668131 NIZFCRSGGQJYMN-RHSMWYFYSA-N 350.462 4.484 0 1 FIAF COc1cccc(-c2nc3ccccc3c(=O)n2CCc2ccccc2)c1 28340233 UOHMJVLBCWEIKM-UHFFFAOYSA-N 356.425 4.315 0 1 FIAF CSc1ccc(OCc2nnc3sc(Cc4ccccc4)nn23)cc1 28709001 IIMKGKPKCYMGIV-UHFFFAOYSA-N 368.487 4.078 0 1 FIAF CCCCC[C@@H](OC)[C@@H](O)[C@@H](/C=C/CCCCCCCC(=O)O)OC 33820464 MQWZCHDMBWJFTK-GIUYTFSGSA-N 358.519 4.329 0 1 FIAF COCCO[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 35064229 DPSNOOUMCDGRBU-DEOSSOPVSA-N 373.452 4.207 0 1 FIAF O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCCC1 40918880 KBLLVDUPDMDMON-UHFFFAOYSA-N 366.505 4.331 0 1 FIAF CC(C)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45357032 GHJPGPNNFIPPNV-LBPRGKRZSA-N 366.305 4.304 0 1 FIAF COc1cccc(CCNc2cncc(Oc3ccccc3F)n2)c1OC 82068583 RCKRSDXSPVZGAM-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF CCCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc(C)c2)n1 82145199 LSLNJAICAHTFKK-UHFFFAOYSA-N 354.498 4.392 0 1 FIAF CCOC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 84668831 PKKFZXCPMFVXGX-UHFFFAOYSA-N 363.211 4.270 0 1 FIAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCCCC3)[C@H]2CNC(C)C)cc1 95664996 XXMZFPVGNJARDM-DUGOTZRCSA-N 370.581 4.427 0 1 FIAF CC(=O)OC[C@]1(O)C[C@@]23CC[C@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@H]1C3 100656429 PTGGVIKFNQSFBY-XUAMWXHYSA-N 358.478 4.210 0 1 FIAF C[C@H](c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccncc3)nc21 222082463 KUCORTCSFFEDPM-CYBMUJFWSA-N 370.391 4.185 0 1 FIAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@H]3CC[C@@H]2[C@@]1(C)CO 238771047 WXGCKWKITAZTIE-BOCYPRFXSA-N 360.494 4.312 0 1 FIAF Cc1c(-c2nc3c(F)c(Br)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905121 GWDYECDOWAKSRI-SNVBAGLBSA-N 365.202 4.403 0 1 FIAF CCCCOc1cc2nc(-c3csc(O)n3)[nH]c2cc1Br 587017462 LDTOFRXJHDIPGS-UHFFFAOYSA-N 368.256 4.333 0 1 FIAF COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Cl 587076894 ZCFOJCMQIODISG-UHFFFAOYSA-N 360.204 4.126 0 1 FIAF FC1(F)Oc2cc3nc([C@@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc2O1 587079884 IENALCKXNROACQ-AWEZNQCLSA-N 350.708 4.214 0 1 FIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc4ncccc4c3[nH]2)C(F)(F)C1 587132285 PARNOVRLLYEYLO-LBPRGKRZSA-N 374.391 4.081 0 1 FIAF Cc1c(Br)cc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2c1C 587134489 HLXOMBDCBLUUCQ-UHFFFAOYSA-N 352.182 4.470 0 1 FIAF O=C(CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)Nc1cccc(F)c1 587161653 AJLMPLVZDOXKJW-UHFFFAOYSA-N 369.293 4.431 0 1 FIAF N[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C1CC1 587255391 GJSXBEQUMHFYOW-QGZVFWFLSA-N 372.266 4.314 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1NC(=O)OC(C)(C)C)O2 587388307 ABAQJRPISXYLSB-INIZCTEOSA-N 369.421 4.026 0 1 FIAF Cc1ccc([C@@]2(CCn3ccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587392240 YAAXCGWUVUEOBQ-JOCHJYFZSA-N 361.445 4.033 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(Cl)cc1F)[C@@H](C2)C3=O 587422289 CWDJCQJWBQJSHZ-VOJFVSQTSA-N 350.748 4.290 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccnc4ccc(Cl)cc14)[C@@H](C2)C3=O 587423093 UBBNOBHZKOYZHE-YWZLYKJASA-N 351.789 4.386 0 1 FIAF CCc1ccc(-c2cnc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587435854 JLCPRMYTYSLLCR-IIBYNOLFSA-N 361.397 4.401 0 1 FIAF COc1cc2c3c(c1)O[C@](Cc1ccccc1OC)(C(C)C)[C@@H](C2)C3=O 587445219 ZUUFGOWDSCIIEY-HTAPYJJXSA-N 352.430 4.089 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CC)(c1cc(C(=O)O)ccc1F)CC2=O 587466378 LFCUQSHYUCAIIH-NRFANRHFSA-N 372.392 4.453 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(F)cc1)CC2=O 587472417 PYCCWZIFKZWKTF-OAQYLSRUSA-N 371.408 4.237 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccco3)n(C)n1)CC2=O 587474979 JCSVSIXKCKZXSO-LJQANCHMSA-N 352.390 4.045 0 1 FIAF CS(=O)(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cc(F)ccc12 587634097 RYECLCDDLLJSHC-UHFFFAOYSA-N 357.328 4.396 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nn(C)cc23)N1 587762078 XBMFYFASPOKRNN-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587784735 IMJLVZXUHOGQHD-VHSXEESVSA-N 364.298 4.063 0 1 FIAF COc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(OC)c1C 587787575 LUXDXUDXXXJARI-UHFFFAOYSA-N 352.312 4.454 0 1 FIAF CCCCc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790212 IFGVFKPNGUBRIM-BMLIUANNSA-N 366.278 4.278 0 1 FIAF Cc1c(O)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821845 KCTHXTOGMXAQQQ-VVVCHXIZSA-N 350.231 4.226 0 1 FIAF C[C@H]1CC(C)(C)CC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822684 LYFXRHUQKVUWLC-CSJMPQKXSA-N 368.290 4.343 0 1 FIAF COc1cc(OC)c2[nH]c(C3(c4ccccc4)CCC(=O)CC3)nc2c1 587970675 MKXNCIIEDMOBLL-UHFFFAOYSA-N 350.418 4.009 0 1 FIAF NC(=O)c1cc2c(Oc3ccc(OC(F)(F)F)cc3)cncc2s1 653874639 VTYUGUKLRVNFAA-UHFFFAOYSA-N 354.309 4.086 0 1 FIAF CCOc1c(F)cc([C@]2(C)NCCc3c2c(C(C)C)nn3C)cc1Cl 962913164 QVJBYGOJXYWROR-IBGZPJMESA-N 365.880 4.144 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(CCN(C(=O)OCC(C)C)CC2)N1 962947796 KHKKZFWBEGITIF-MRXNPFEDSA-N 369.509 4.176 0 1 FIAF COc1cccc2[nH]ccc(=Nc3ccnc(-c4nc(C)ccc4F)c3)c12 1772622625 MUAJQIPOYKTDJF-UHFFFAOYSA-N 360.392 4.313 0 1 FIAF Clc1cccc(C[C@@]2(COc3cccnc3)CCCNC2)c1Cl 1857567040 FKQDFHYODLXLCO-SFHVURJKSA-N 351.277 4.380 0 1 FIAF C=CC(C)=CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](OC(C)=O)[C@@H](O)[C@@]1(C)O 2356426511 COFSRJDBTTZNBZ-HWQAQQKDSA-N 364.526 4.015 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1[C@](C)(O)CC[C@@H]2[C@](C)(CO)CCC[C@@]12C 2356543487 SUHBMXFJOWKXEV-CDJZJNNCSA-N 366.542 4.242 0 1 FIAF CCOC(=O)[C@@H](C)Sc1nc2cccnc2n1-c1c(C)cc(C)cc1C 2382222467 SDSKWBMHXIOQIE-OAHLLOKOSA-N 369.490 4.389 0 1 FIAF COc1ccc(OC)c(-c2ccc(-n3cc(-c4ccccn4)nn3)cc2)c1 2382251444 CZTJNLRLDBAOAK-UHFFFAOYSA-N 358.401 4.014 0 1 FIAF Cn1cc(-c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)cn1 2382259099 XQQYRDDJENLAME-UHFFFAOYSA-N 355.401 4.296 0 1 FIAF CCC/C=C1/CCCO[C@@](C(=O)NCc2ccc(C)o2)(C(F)(F)F)C1 13828975 BFKXYBBVLKKTMX-ZRBJYGNNSA-N 359.388 4.432 0 3 FIAF COC(=O)Cc1nc(N(C)C2CCCCC2)c2c3c(sc2n1)CCCC3 753822 PIZQIYVQPVPYBJ-UHFFFAOYSA-N 373.522 4.055 0 1 FIAF CCCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1 14978298 ZDWCCCTVMQMVQG-UHFFFAOYSA-N 356.491 4.032 0 1 FIAF CCc1ccc(-c2[nH]nc3nc(-c4ccc(O)cc4)cc(C(=O)O)c23)cc1 20492331 CCXQOBIEZGNHLS-UHFFFAOYSA-N 359.385 4.258 0 1 FIAF Cc1ccccc1N1CCN(Cc2ccc([C@@H](O)c3ccccc3)cc2)CC1 27418235 WAAOQMDEBBISAN-VWLOTQADSA-N 372.512 4.399 0 1 FIAF COc1cc(-c2ccc3nnc(-c4ccccc4)n3c2)cc(OC)c1OC 74387403 XNPCWQDONBQZBW-UHFFFAOYSA-N 361.401 4.089 0 1 FIAF COCCn1c(C2CCCCC2)nc2c(NCc3ccccc3)ncnc21 82178447 KASGZLQQGGYMSP-UHFFFAOYSA-N 365.481 4.133 0 1 FIAF Cc1ccc(NC(=O)c2c(N3CCCC3)cc(-c3ccccc3)oc2=O)cc1 84738966 MZHCPILEIFHPON-UHFFFAOYSA-N 374.440 4.468 0 1 FIAF O=c1cc(-c2ccccc2)c2ccccc2n1C[C@@H]1CN2CCC1(F)CC2 95590082 WAKWRGXSRGAPEP-SFHVURJKSA-N 362.448 4.102 0 1 FIAF CCC[C@@H]1C(C(=O)OCCSCC)=C(C)N=C(C)/C1=C(/O)OCC 100038088 AVYYRXCEXSLEFW-AQTLKONXSA-N 355.500 4.254 0 1 FIAF C=C/C(C)=C\C[C@H]1[C@@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]21C 100781063 IEAUFJOLHRNYMW-ZABZQLEESA-N 364.526 4.015 0 1 FIAF endogenous,in-man C/C(=C/COc1ccc2ccc(=O)oc2c1)CC[C@@H](O)C(C)(C)Cl 213674581 LJKOFXGMGDOURN-OJNOIJSXSA-N 350.842 4.277 0 1 FIAF Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3C=O)cc2F)cn1 224687683 UHWDXNCAVZZHAY-UHFFFAOYSA-N 361.298 4.363 0 1 FIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c(Cl)c(Br)cnc3[nH]1)C2 586883965 FMNFXNSBGOOQCP-XHNCKOQMSA-N 366.646 4.013 0 1 FIAF CC(=O)OC1=C(C)c2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586992129 OEIDWNZLNDZQDV-UHFFFAOYSA-N 357.365 4.002 0 1 FIAF Cc1ncsc1-c1c[nH]cc1-c1nc2c(C)c(Br)cnc2[nH]1 587028047 NKGBBLAGSLQXQV-UHFFFAOYSA-N 374.267 4.456 0 1 FIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(F)cc2[nH]1 587113216 PCZVEAXLIKCSBD-KRWDZBQOSA-N 365.330 4.120 0 1 FIAF CN1CCN(c2ccc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3c2)CC1 587113654 RPUAXNVWIOGMBZ-UHFFFAOYSA-N 360.383 4.001 0 1 FIAF Cc1ccc(C)c2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc12 587197054 HNGKKODKGQDNDJ-HNNXBMFYSA-N 359.470 4.096 0 1 FIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(CO)cc2[nH]1 587247210 KTKYLFJCWOTSCF-UHFFFAOYSA-N 359.429 4.470 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(OC(F)(F)F)cc1)O2 587381243 DLQRCXICTGLZEI-SFHVURJKSA-N 365.351 4.442 0 1 FIAF COc1ccc(-c2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 587394650 XUCSBNLORPVVGM-NRFANRHFSA-N 360.413 4.354 0 1 FIAF COc1ccc(-c2ccncc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587396192 XOIXMROCXKWNFU-OAQYLSRUSA-N 360.413 4.354 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(/C=C/C(=O)O)cc1)CC2=O 587491454 WCNGYXFUKWETHZ-SSGOSMAHSA-N 352.386 4.149 0 1 FIAF CC[C@@]1(CNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587510084 FFZBHHOGWYCQBN-NRFANRHFSA-N 359.466 4.204 0 1 FIAF C[C@@H](Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587521047 HYGQYPLCIPJWRC-ZUOKHONESA-N 366.413 4.124 0 1 FIAF COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587521302 BUHNDVZBVILIPN-FQEVSTJZSA-N 350.414 4.367 0 1 FIAF CCOC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c1C 587524978 LJKNYKZOFARMPF-IBGZPJMESA-N 353.418 4.085 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c([nH]1)CCCC2 587586405 CBJSLFXOTSFAGC-SIKLNZKXSA-N 361.397 4.302 0 1 FIAF CC(C)(C)CC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604133 RHRXVMOGHXFHRM-KKSFZXQISA-N 370.401 4.004 0 1 FIAF C[C@@]1(CCc2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619724 YYQYWUQZTUMISD-NQIIRXRSSA-N 350.370 4.338 0 1 FIAF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C(C)C 587763087 HWBDYWGNFGATHP-QGHHPUGFSA-N 366.278 4.298 0 1 FIAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(C(C)(C)C)nc2[nH]1 587786559 HJYVFLLXYCJDIX-UHFFFAOYSA-N 351.450 4.388 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COCc2ccccc2)N1 587802033 PFJYULFUGMRUDQ-BLLLJJGKSA-N 364.258 4.380 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(C)(C)C)N1 587810568 LEUVKISANPOQAF-BTDLBPIBSA-N 356.279 4.343 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(O)CCCCC2)N1 587822538 PCEZYBLAQCIXCE-MEDUHNTESA-N 356.279 4.033 0 1 FIAF CCc1ccc(C(=O)CCc2nc3c(Br)ccnc3[nH]2)cc1 587956315 WOASYUPKIMKMOP-UHFFFAOYSA-N 358.239 4.098 0 1 FIAF Cc1nc2c(o1)CCC[C@]21c2cccc(F)c2CCN1[C@H]1CCSC1 962711743 QBUMOKUCCINNSO-XOBRGWDASA-N 358.482 4.066 0 1 FIAF Oc1ccc2c(c1)[C@@](c1ccc(Cl)cc1)([C@H](O)c1ccccc1)NCC2 963343413 VRUNEQGMAIWAMZ-YADHBBJMSA-N 365.860 4.169 0 1 FIAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)C=C[C@@H](O)[C@H]2C 2356541264 HZKKUYMQQTYDGZ-CZUORRHYSA-N 356.418 4.250 0 1 FIAF Cc1cc2ccccc2n1-c1cnc2sc(-c3ccccc3)nn2c1=O 2382219467 WROSIHXDSZBDRY-UHFFFAOYSA-N 358.426 4.070 0 1 FIAF Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)c(Cl)cc12 593853 OTOORPZUALMLMT-UHFFFAOYSA-N 371.820 4.406 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc(OCC)c1 4049893 QGWLKPQBZVVIRP-PZJWPPBQSA-N 366.461 4.093 0 1 FIAF Cc1ccc(NC(=O)Cc2c(C(=O)O)[nH]c3ccc(Cl)cc23)cc1F 4920237 LSOPHEKRGYGMQZ-UHFFFAOYSA-N 360.772 4.148 0 1 FIAF O=C1C[C@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ccccc21 12356211 JFVJCLYJXOVMSI-MRXNPFEDSA-N 365.448 4.166 0 1 FIAF O=C(C1=N/C(=C\c2c[nH]c3ccccc23)C(O)=N1)c1c[nH]c2ccccc12 14686771 INGKJXSXKYRLRK-NVMNQCDNSA-N 354.369 4.242 0 1 FIAF C=Cc1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1 29235714 VZNAZNKQNGDNMH-UHFFFAOYSA-N 365.336 4.311 0 1 FIAF CC[C@]1(C(=O)N[C@@H](C)COc2cc(F)ccc2F)[C@@H](C)C1(Cl)Cl 29345161 MPBOAHOSHQCIGL-FEUHOPSXSA-N 366.235 4.068 0 1 FIAF C[C@]12CC[C@@H]3[C@H](C[C@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 33998602 HAWQRBIGKRAICT-WSKOLGIYSA-N 365.311 4.461 0 1 FIAF COc1cc2c(c(CC=C(C)C)c1O)O[C@H]1c3ccc(O)cc3OC[C@@H]21 59205018 JZCLWJAANXMNAY-JXFKEZNVSA-N 354.402 4.225 0 1 FIAF biogenic COc1cc([C@@H]2CC(c3cccc4ccccc34)=NN2C(C)=O)ccc1O 66111650 DFERCXANASNSRJ-FQEVSTJZSA-N 360.413 4.252 0 1 FIAF CC(C)CCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 68572310 RRYWRTAPRPBAAB-TZWRJOPASA-N 364.441 4.184 0 1 FIAF biogenic Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccc(Cl)cc3)C2)cc1 73310957 RTGHDFBNYWRBCB-QGZVFWFLSA-N 369.877 4.429 0 1 FIAF CCC(CC)c1nc2c(NCC(C)C)ncnc2n1CCc1ccccn1 82178162 IQXXFLSMQHHVIQ-UHFFFAOYSA-N 366.513 4.436 0 1 FIAF COc1ccccc1-c1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1 84712481 HRJMJHTUAWQALR-UHFFFAOYSA-N 371.190 4.107 0 1 FIAF COc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 100620743 IETKKGQMIGSURM-UGKGYDQZSA-N 360.457 4.288 0 1 FIAF CC(C)(C)CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167173619 SKLZKSCEYWXITG-UHFFFAOYSA-N 351.450 4.010 0 1 FIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2ccccc2)n1 203340299 KJBSEFNIMFLOND-FQEVSTJZSA-N 360.413 4.003 0 1 FIAF O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1 206067794 RGVUWFAYIUKBOW-UHFFFAOYSA-N 364.898 4.127 0 1 FIAF Cn1cc(-c2ccc(-c3cncc4ccc(N5CCOC5=O)cc34)cc2)cn1 584627420 ZFKIMLOZPZTQJP-UHFFFAOYSA-N 370.412 4.259 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc4c(c3O)CCCC4)nc2c1 586899051 WJFCDYLQFWNVSJ-UHFFFAOYSA-N 356.809 4.254 0 1 FIAF Fc1cc2[nH]c(-c3cnn4cccc(Br)c34)nc2cc1Cl 587006466 KUHSESZUQRNXEY-UHFFFAOYSA-N 365.593 4.433 0 1 FIAF N=c1nc(O)c2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2[nH]1 587047538 KGIRDUBSPIRDRU-UHFFFAOYSA-N 372.215 4.112 0 1 FIAF O=C1COc2cc3[nH]c([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)nc3cc2N1 587052151 WZRXSPXKTGHKJO-DTWKUNHWSA-N 374.227 4.472 0 1 FIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(C(N)=O)cc2[nH]1 587247692 QWZNPLDGZPGRIL-UHFFFAOYSA-N 372.428 4.077 0 1 FIAF Nc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)c2ccccc2c1 587251460 FBWUNEPZHUBFRV-UHFFFAOYSA-N 354.207 4.433 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc[nH]1)(c1cc(Cl)ccc1N)O2 587375953 BANYPMADHYQHOO-HXUWFJFHSA-N 367.836 4.050 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@@H](C)CC(=O)O)O2 587377142 HDFYQJCXLIRNGY-FKIZINRSSA-N 373.836 4.202 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc(Cl)s1)O2 587411265 RZHNDZDJUFVEKV-IPLHWJFFSA-N 362.882 4.228 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3[nH]c(=N)sc3c1)CC2=O 587494654 LKFALCUPCPHBSL-HXUWFJFHSA-N 368.458 4.248 0 1 FIAF COc1cccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553359 ANZBQWWKDTXYOZ-GHTZIAJQSA-N 366.344 4.243 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3[nH]ncc3c2)N1 587794337 MKUQDIXVONGOKL-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF COCc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587802461 SFIHCTVAYYYJNP-VOJFVSQTSA-N 364.258 4.358 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(O)cccc32)N1 587830982 GPYPNFIWWHXJOY-MGNBDDOMSA-N 362.242 4.018 0 1 FIAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(CCO)cc4[nH]3)c2)c1 587931545 AKVSYROUXPOJDK-UHFFFAOYSA-N 360.413 4.146 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cccc(C)c1OC(F)F 963643184 ZKHIYIRNOZAOGW-XIKOKIGWSA-N 363.404 4.237 0 1 FIAF CN1CCc2c(sc3nc(-c4ccc(C(F)(F)F)cc4)nc(O)c23)C1 1772585967 JDTAORAKBXNSTE-UHFFFAOYSA-N 365.380 4.071 0 1 FIAF COC(=O)c1cccc(OCc2oc(-c3ccccc3OC)nc2C)c1 1857763325 BCWHVDGZTARFIJ-UHFFFAOYSA-N 353.374 4.024 0 1 FIAF O=C(O)Cc1ccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 2382245539 JGINBPKDFJSKCS-UHFFFAOYSA-N 360.413 4.302 0 1 FIAF COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C 61921184 KDMKXJZHYRGMIV-GHTZIAJQSA-N 363.457 4.059 0 3 FIAF Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)s1 3814570 PGCVEJAGJCUXAH-UHFFFAOYSA-N 364.879 4.086 0 1 FIAF CC(C)=CCc1c(O)ccc2c1OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4 13380856 QUNOVMVJDFPSOE-YCRPNKLZSA-N 352.386 4.239 0 1 FIAF biogenic CC(=O)N1CCC(=C2c3cc(Cl)ccc3CCc3cccnc32)CC1 13861064 HKOAZVBUNRGWIO-UHFFFAOYSA-N 352.865 4.278 0 1 FIAF COc1ccc2c(c1)O[C@@H]1c3c(cc4c(c3OC)CCC(C)(C)O4)OC[C@@H]21 14613213 QWZQKTKRYJMEKY-BTYIYWSLSA-N 368.429 4.417 0 1 FIAF biogenic Cc1ccc(OC[C@H](O)CNC(C)(C)Cc2c[nH]c3ccccc23)c(C)c1 26741741 UYBWQFTZFRTCDN-LJQANCHMSA-N 366.505 4.135 0 1 FIAF CCC[C@@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 40843935 ILZGABAAVFSXBX-ULLYJBBUSA-N 353.506 4.066 0 1 FIAF N=C(Nc1ccc2c([C@@H]3CN4CCC3CC4)c[nH]c2c1)c1cccs1 72104751 OHHGHMJEPXHYDM-QGZVFWFLSA-N 350.491 4.476 0 1 FIAF CC(C)n1nc([C@H](F)c2cccc(Cl)c2Cl)c2c(N)ncnc21 95584508 FXQADKIFVJVYPU-GFCCVEGCSA-N 354.216 4.355 0 1 FIAF Cc1ccccc1-c1nnc(S)n1-c1ccc2cc(C(=O)O)sc2c1 96273172 DNCMATNHZJSRBY-UHFFFAOYSA-N 367.455 4.444 0 1 FIAF O=C(O)c1cccc2[nH]c(-c3cccc4oc(-c5ccccc5O)nc34)nc12 103212985 YBYPJPPLRWWWCZ-UHFFFAOYSA-N 371.352 4.442 0 1 FIAF COc1cc(OC)cc(-c2cc3cc4c(cc3o2)OC(C)(C)[C@H](O)C4)c1 139106896 HDRZRQNZNIJSIQ-HXUWFJFHSA-N 354.402 4.191 0 1 FIAF CC(=O)Nc1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146691774 LSWNHXHXFDIKEX-UHFFFAOYSA-N 373.412 4.284 0 1 FIAF CCOc1cccc(NC(=O)c2cccc(NC(=O)C3CCCC3)c2)c1 169341753 HHDGXMRWMSAWSO-UHFFFAOYSA-N 352.434 4.466 0 1 FIAF Cc1nc2ccc(F)c(-c3cc4c([nH]3)[C@H](C)NC4=O)c2nc1NC(C)(C)C 206128483 GPGQKMLTKINISD-VIFPVBQESA-N 367.428 4.087 0 1 FIAF Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(F)cc3Cl)cc2)n1 263620910 PUPDWYSTSLHVKJ-UHFFFAOYSA-N 371.843 4.271 0 1 FIAF in-vitro COc1ccc(-c2nc3ncccn3c2-c2nc3cc(F)ccc3[nH]2)cc1 473150562 MKVAMTFZKQNFOR-UHFFFAOYSA-N 359.364 4.087 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc12 586883247 AFRATFDVFXWRGQ-UGSOOPFHSA-N 354.251 4.400 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cnc3ccccc3c2[nH]1 586962512 FQVYYAKJTAFGDK-CQSZACIVSA-N 351.435 4.159 0 1 FIAF Nc1c(-c2nc3ccc(O)cc3[nH]2)sc2cc(Br)ccc12 587032939 WEYYGJSJTYQVKI-UHFFFAOYSA-N 360.236 4.495 0 1 FIAF NC(=O)c1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587065428 ZTZHDRRFQRDDOI-UHFFFAOYSA-N 367.792 4.154 0 1 FIAF CC(C)OC(=O)C1(c2nc3cccc(C(F)(F)F)c3[nH]2)CC(F)(F)C1 587130951 TXEPSRYVFJURRV-UHFFFAOYSA-N 362.298 4.200 0 1 FIAF COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OCCCC(=O)O 587211676 JDEJFTHABHTHIT-UHFFFAOYSA-N 363.413 4.253 0 1 FIAF COc1ccc(-c2csc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 587413415 NGKRUVHZHMCNBP-GOSISDBHSA-N 366.442 4.416 0 1 FIAF CCO[C@@H](C)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442912 ZSLRIRLKOITHEQ-PFDOBSCMSA-N 352.430 4.456 0 1 FIAF C[C@@]1(c2ccc(CC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528609 CRIMRUJHLJDQGF-QFIPXVFZSA-N 350.414 4.073 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnccc1Cl 587547665 MXNUATRSAJACCP-VQIMIIECSA-N 353.761 4.144 0 1 FIAF C[C@@]1(c2c[nH]c3cccnc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587771 HTRJOXXQXYIMEP-AVRDEDQJSA-N 372.380 4.146 0 1 FIAF CC(=O)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622770 GQGGNPJQEHMVEC-UHFFFAOYSA-N 369.222 4.432 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCCC[C@H]2C)N1 587761216 OMLFUMMPTPKDGQ-SNUQEOBHSA-N 369.322 4.212 0 1 FIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C(C)C 587765385 SZUTYJWTWMVPRS-BTDLBPIBSA-N 366.278 4.298 0 1 FIAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 587781903 FJZGCQGVRZNOSR-UHFFFAOYSA-N 356.385 4.391 0 1 FIAF Cc1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587854785 UAZAMMSQKOIBHN-JKYUHCHBSA-N 355.276 4.285 0 1 FIAF Nc1ccc(-c2ccc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c3c2)cc1N 587968937 IZZCIQSCWHZXIG-MSCVRMMESA-N 372.472 4.041 0 1 FIAF O=C(/C=C/c1ccc(F)cc1)NCCC1CCN(Cc2ccccc2)CC1 653858659 PQXRJZJLERADCX-DHZHZOJOSA-N 366.480 4.257 0 1 FIAF CO[C@](C)(C1CC1)[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962634223 HYQCINJFECFEEX-GMKZXUHWSA-N 362.517 4.290 0 1 FIAF Cc1cccc([C@]2(c3ccc(C)c(C)c3)NCCc3c(C(=O)O)cccc32)n1 963121929 MENDIQNSIFRBNA-XMMPIXPASA-N 372.468 4.143 0 1 FIAF CC(C)(CCc1ccccc1)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857540119 TZQPUNBWPSZOOO-UHFFFAOYSA-N 369.472 4.332 0 1 FIAF CCO[C@H]1C=C(CC[C@]2(C)[C@@H](C)CC[C@@]3(C)C(C(=O)O)=CC=C[C@H]32)C(=O)O1 1857651906 WDAFREQBUZXZAG-QXGXDSNISA-N 374.477 4.252 0 1 FIAF COc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CC[C@@H]1COC(=O)N21 2356369032 OYYJOTOFLBBMBR-QGZVFWFLSA-N 372.852 4.080 0 1 FIAF Cn1c(=O)c2cc(NC(=O)Nc3ccccc3)ccc2n1Cc1ccccc1 61903438 JTXIEAPRYSAODF-UHFFFAOYSA-N 372.428 4.032 0 3 FIAF COc1cccc(CN2C(=O)COCc3ccc(-c4ccccc4)cc32)c1 74375734 UAUISIPWQVLODW-UHFFFAOYSA-N 359.425 4.426 0 3 FIAF O=C(Nc1ccccc1)Nc1nc2ncccn2c1-c1ccc(F)c(F)c1 203466307 GXYNUMQENKQGKM-UHFFFAOYSA-N 365.343 4.319 0 3 FIAF CC1(C)c2ccccc2C(C)(C)[C@@H](C(=O)Nc2ccccc2)[C@@H]1C(=O)O 1619897 HDLLAELPXJDNCH-QZTJIDSGSA-N 351.446 4.211 0 1 FIAF Cc1cc(-c2ccc(S(=O)(=O)N[C@H]3CCCc4ccccc43)s2)on1 7005568 DAMIVUQUQCOPJJ-HNNXBMFYSA-N 374.487 4.067 0 1 FIAF CNCC[C@H](Oc1ccc(I)cc1)c1ccccc1 13730759 BAEJWAJUFOTUFW-INIZCTEOSA-N 367.230 4.021 0 1 FIAF O=C(O)CCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 13834847 DBFSOUAUNGFRJO-UHFFFAOYSA-N 368.385 4.189 0 1 FIAF CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1 14975618 AESHNCRRLLSPTG-UHFFFAOYSA-N 351.859 4.170 0 1 FIAF Cc1nc2c3cccnc3n(-c3ccccc3)c(=O)c2n1Cc1ccccc1 26735646 YUHWIEVHCGBTFY-UHFFFAOYSA-N 366.424 4.092 0 1 FIAF CC(C)(C)c1ccc(OC(=O)N2CCN(c3ncccc3Cl)CC2)cc1 49032759 OHHYMRXMQDCMJO-UHFFFAOYSA-N 373.884 4.354 0 1 FIAF CC(C)(C)CCN1C[C@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 66157612 GSJIGYLGKSBYBC-ALOPSCKCSA-N 369.336 4.337 0 1 FIAF COc1cccc(CNc2cncc(Oc3ccc(F)cc3)n2)c1OC 82068663 FHHKSBQFWQAQGC-UHFFFAOYSA-N 355.369 4.037 0 1 FIAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]4[C@@H]2[C@@](O)(c2ccc(Cl)cc2)CN34)cc1 100846451 JGWXNVMXDBFNMX-LMYCIYFBSA-N 353.893 4.486 0 1 FIAF Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cccs1 118859432 GYMBYNUNONBMHS-SJLPKXTDSA-N 369.534 4.372 0 1 FIAF CCCOc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1 165711329 QAYGQCLDOXUAIH-UHFFFAOYSA-N 368.462 4.316 0 1 FIAF CC(C)(Nc1cccc(F)c1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1 202053064 PSLWACJBQOMLFU-UHFFFAOYSA-N 369.425 4.141 0 1 FIAF CC(C)[C@H](CO)NCc1nc(-c2ccc(Cl)c(Cl)c2)ccc1F 204414156 QYQKGPWLVOPOAJ-KRWDZBQOSA-N 357.256 4.301 0 1 FIAF C[C@@]12CCC=CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 255245368 NIPQNFNROARCSF-LKHNMDAWSA-N 354.490 4.330 0 1 FIAF O=C(OC[C@H]1CCCN2CCCC[C@H]12)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 504197431 IJUBJARZEOLNML-SNUJHFHJSA-N 365.945 4.372 0 1 FIAF biogenic O[C@H]1CC[C@@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 586898723 KCSOPBJZYZXCQA-OTSSQURYSA-N 363.177 4.363 0 1 FIAF Nc1ccc(-c2ccc3nc([C@@H]4Cc5cc(F)ccc5O4)[nH]c3c2)cc1N 587174945 TVBYMXWRXJASDM-FQEVSTJZSA-N 360.392 4.210 0 1 FIAF Cc1n[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346348 MEASEUCLNBLVTF-PZJWPPBQSA-N 366.392 4.146 0 1 FIAF CCOc1cc(OCC)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587397876 BPYFTPYKTRUYJD-NRFANRHFSA-N 355.434 4.255 0 1 FIAF CCN(CC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F 587425291 BIHVSBKTBJZSIF-QVKFZJNVSA-N 355.409 4.169 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(NC(C)=O)cc1C)CC2=O 587471910 WXDRZWILZWSFGP-FQEVSTJZSA-N 353.418 4.318 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC[C@@H]3CO3)c1)CC2=O 587494553 YRRXCANUJXGCRB-ZHRRBRCNSA-N 368.429 4.003 0 1 FIAF CC[C@H](C)n1nccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580868 JNZDJAIUWLVFTA-WMHILYHISA-N 364.401 4.263 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CCCO1)CC2 587606174 BYLHPQKMSNTJTO-OSFYOIPJSA-N 366.413 4.216 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2N)N1 587702566 ZZMXQKPZOZIGBG-ZKANADHPSA-N 369.665 4.447 0 1 FIAF COc1ccsc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587848142 ZYVBEWURCQIPIR-JDNHERCYSA-N 370.287 4.456 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3scnc32)N1 587859924 YYLKFMOVQDULMY-FVMDXXJSSA-N 367.287 4.159 0 1 FIAF COc1cccc(CCc2nc3c(Br)cnc(Cl)c3[nH]2)c1 587929926 APDVXRSKOWBCOL-UHFFFAOYSA-N 366.646 4.168 0 1 FIAF O=C1COc2cc3[nH]c(Cc4ccccc4-c4ccccc4)nc3cc2N1 587961992 PIIWQRLIVHULLZ-UHFFFAOYSA-N 355.397 4.152 0 1 FIAF CCc1ccc2c(c1)CC[C@@]21c2c(ccc(OC)c2OC)C[C@H](C)N1C 962640214 ZGPZJTUZBSHLBL-WNSKOXEYSA-N 351.490 4.332 0 1 FIAF CCc1ccc([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1 962656244 ABOUXBOICAGKIQ-RPWUZVMVSA-N 374.484 4.159 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(F)ccc1OC(F)F 963063120 ZRASDLSWFKYAPU-IBGZPJMESA-N 374.362 4.219 0 1 FIAF C[C@]1(CO)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5CO[C@H](O)[C@H]54)C3=CC[C@H]12 2356805314 ZSBJRMUDYWFFJZ-YLJCNOFJSA-N 372.549 4.449 0 1 FIAF CC[C@]1(C)Cc2nc3nc(=S)n(-c4ccccc4)c(O)c3cc2CO1 8691077 UEWMUFOTZXGHBT-LJQANCHMSA-N 353.447 4.097 0 3 FIAF aggregator COc1cccc(OC)c1-c1oc2c(ccc3occc32)c(=O)c1OC 14635254 YQGZXCKIZNYZAH-UHFFFAOYSA-N 352.342 4.232 0 1 FIAF biogenic,in-vitro Nc1cc2c(Nc3ccc4c(ccn4Cc4ccccc4)c3)ncnc2cn1 29206936 UMINLXGACJNLIC-UHFFFAOYSA-N 366.428 4.354 0 1 FIAF CCCCCC(=O)Nc1ccc2cnn(Cc3ccc(C(=O)O)cc3)c2c1 29472180 QUYCOJUXIWGWFR-UHFFFAOYSA-N 365.433 4.302 0 1 FIAF Cc1cccc(NC(=O)C(Br)(C(F)(F)F)C(F)(F)F)c1 68575804 GUZKWNGQXGKEKZ-UHFFFAOYSA-N 364.083 4.192 0 1 FIAF biogenic O=C1C[C@@H]2S[C@@](COCc3ccccc3)(CCN2Cc2ccccc2)C1 73314868 PKUIUVYDOOWWBW-VXKWHMMOSA-N 367.514 4.270 0 1 FIAF COc1ccc(CCNc2cc(Oc3ccccc3F)ncn2)cc1OC 82067657 YYPRIJVYMUFUON-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF Cc1ccccc1-c1nnc(SCC(=O)O)n1-c1cccc(Cl)c1 96273180 WHNZNWRKJTXIDP-UHFFFAOYSA-N 359.838 4.073 0 1 FIAF CCC(=O)N[C@H]1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21 205713507 DBUUHHKKKNUIPG-INIZCTEOSA-N 352.331 4.420 0 1 FIAF Cc1cccc(N[C@H]2CC[C@H](Oc3ncccc3C3CCOCC3)CC2)n1 261123446 JWEPAMHMLLKDFA-WGSAOQKQSA-N 367.493 4.481 0 1 FIAF COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2CCN(C)C)cc1 299824127 AMXCVKZSAGCBKS-UHFFFAOYSA-N 363.383 4.292 0 1 FIAF CC(C)[C@](C)(O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586886133 FBSSOBORMNOHSJ-LBPRGKRZSA-N 367.165 4.088 0 1 FIAF CCOC(=O)c1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c1 586978153 YECGHDKUVAXMRR-UHFFFAOYSA-N 373.250 4.401 0 1 FIAF COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 587047748 BLLDVENVURAZFQ-VHSXEESVSA-N 362.216 4.322 0 1 FIAF C[C@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccccc1C(F)(F)F 587097985 MNIWUKRWPMLWAB-VIFPVBQESA-N 361.323 4.064 0 1 FIAF COC(=O)[C@@H]1CCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O 587107783 VZGQPPPUBMNTJP-ZDUSSCGKSA-N 357.409 4.114 0 1 FIAF FC(F)(F)OCc1nc2c(Br)ccc(Br)c2[nH]1 587125353 RYRUMSFRRKYWTA-UHFFFAOYSA-N 373.954 4.124 0 1 FIAF COc1c(F)ccc(F)c1-c1nc2cc(Br)cc(F)c2[nH]1 587132616 FVNPDUOXBNWGTI-UHFFFAOYSA-N 357.129 4.418 0 1 FIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 587241761 IMLDSSUHPFXMTJ-UHFFFAOYSA-N 355.369 4.052 0 1 FIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Cl)cc3[nH]2)cc1 587245654 WJFOUBADYWRJPS-UHFFFAOYSA-N 366.808 4.356 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(OC(C)C)c1)(C(F)F)O2 587383570 SROCZCHMIUFRFO-HXUWFJFHSA-N 361.388 4.490 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@@H]1NC(=O)OC(C)(C)C)O2 587389266 JQOZIEGCLCQAON-LAUBAEHRSA-N 374.481 4.139 0 1 FIAF COc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1OC 587524934 NPXMMBKMVNJEOW-KRWDZBQOSA-N 368.429 4.303 0 1 FIAF C[C@@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545143 GLOCWFYSMKONDN-IUODEOHRSA-N 374.261 4.310 0 1 FIAF CC(C)(C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587581188 KNYFKTFBXOJJOH-XLIONFOSSA-N 364.401 4.047 0 1 FIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601510 SLINQJGXOBROIK-SIKLNZKXSA-N 362.381 4.278 0 1 FIAF O=C(O)CCC(=O)Nc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587631495 ODDXTVRCHILZMR-UHFFFAOYSA-N 360.772 4.431 0 1 FIAF Cc1nn(C(C)C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587763912 NILZVQXMJWLTRC-BTDLBPIBSA-N 366.278 4.298 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cnccc32)N1 587777385 GZQAGUWZWTYUIP-VOJFVSQTSA-N 361.258 4.097 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=N)c1ccccn1 587864793 PUAWHBBIEXPYLU-UHFFFAOYSA-N 360.339 4.236 0 1 FIAF CC[C@]1(Cc2nc3ccc(C(=O)OC)cc3[nH]2)CC(=O)c2ccccc2C1 587959507 FUQBGROFOMVULV-JOCHJYFZSA-N 362.429 4.118 0 1 FIAF Cc1cc2c(cc1F)[C@@H](c1cc3ncc(Br)cc3o1)NCC2 962147399 PEJTXCJXUOQPFY-KRWDZBQOSA-N 361.214 4.273 0 1 FIAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CNC2(C1CC1)C1CC1 962960044 RWIZQVOPAIATSW-UHFFFAOYSA-N 351.412 4.372 0 1 FIAF COc1cc2c(cc1O)[C@H]1O[C@@H](c3cc4c(c(OC)c3-2)OCO4)[C@H](C)[C@@H]1C 2356453497 AEMHOASRMDNCLT-MGBZJGNKSA-N 370.401 4.203 0 1 FIAF COc1ccc([C@H]2CC(c3cc(OC)c4occc4c3OC)=NO2)cc1 36519493 UIRRBDRPIVSGES-QGZVFWFLSA-N 353.374 4.324 0 1 FIAF Cc1noc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1 38278798 DLZCZGZCBOABLZ-UHFFFAOYSA-N 352.375 4.014 0 1 FIAF COc1ccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)cc1F 40380604 HINIWUOUWPPQNS-UHFFFAOYSA-N 358.394 4.112 0 1 FIAF CN(C)C12CCNC([C@H](c3ccc(F)cc3)C1)[C@@H](c1ccc(F)cc1)C2 40423207 SQLVXEXTWOYNGQ-FDRBHKFBSA-N 356.460 4.288 0 1 FIAF Cc1nc2c3c(c(-n4ccccc4=O)cn2c1C)CC[C@@H](c1ccccc1)N3 40425064 GFGBAMIIMZDJCH-IBGZPJMESA-N 370.456 4.201 0 1 FIAF COc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1OC1CCCC1 42989605 KHLCLXCIVQQPBT-UHFFFAOYSA-N 352.390 4.439 0 1 FIAF CCSc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)OC)N3CCCF)cc1 45287940 LHOOAMLZVNHXAN-YSHGAJCASA-N 365.514 4.268 0 1 FIAF CCCCCCOC(=O)C(Br)(C(F)(F)F)C(F)(F)F 68573904 MADKIYIAVBRRJQ-UHFFFAOYSA-N 359.104 4.368 0 1 FIAF biogenic COc1ccc2c(-n3ccc4c(OC)c(OC)c(OC)cc43)cn(C)c2c1 72113142 LNQLIVKNAOVKBA-UHFFFAOYSA-N 366.417 4.157 0 1 FIAF C[C@]12CC[C@H](O)[C@](C)(C(=O)O)[C@H]1CCc1cc3[nH]c4ccccc4c3cc12 83923884 XUTJPVCJXVRRLB-JFJDKTSWSA-N 363.457 4.387 0 1 FIAF biogenic,in-vitro COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1cc(Cl)cc(Cl)c1 84462455 COVUFIPFVSEUOP-NWCRWOLESA-N 370.232 4.415 0 1 FIAF CCc1cccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)c1 95562640 SUZDWILMBGOLFY-UHFFFAOYSA-N 356.809 4.249 0 1 FIAF CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Cl)c2)c1 96175678 HAJLDSVGYSQWEY-UHFFFAOYSA-N 374.231 4.199 0 1 FIAF CCCCCOc1ccccc1-c1cc(C(=O)NN2CCCCC2)no1 96913499 SMULVEAZUKZRJH-UHFFFAOYSA-N 357.454 4.041 0 1 FIAF COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1OC(C)C 116230981 PDVCKFFYLUHHTF-UHFFFAOYSA-N 363.797 4.086 0 1 FIAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1C(=O)Nc1ccncc1 169351026 PCXGUXNUSQJTBH-AWEZNQCLSA-N 368.245 4.195 0 1 FIAF C[C@H](SCc1ccccc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 586963122 KRVNSZWMPHWVCM-HNNXBMFYSA-N 355.507 4.498 0 1 FIAF O=C(Nc1nc(Cc2nc3cccc(F)c3[nH]2)cs1)c1cccs1 587019621 PKCUXBWQFLBQQL-UHFFFAOYSA-N 358.423 4.063 0 1 FIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cnccc3[nH]1)N2 587031859 QAMAAUYLETUZQB-JLATVTFTSA-N 371.491 4.085 0 1 FIAF O=C(O)c1cc(F)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033009 OYUULRJVZHLRPL-UHFFFAOYSA-N 367.405 4.408 0 1 FIAF O=C(Nc1ccccc1Cl)c1nc2c(F)cc(Br)cc2[nH]1 587060137 BCTAWECUOZYYJH-UHFFFAOYSA-N 368.593 4.370 0 1 FIAF COc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1F 587077601 XQHUOAHSQFGYPO-UHFFFAOYSA-N 372.787 4.199 0 1 FIAF Clc1ccc2c(c1)C[C@@H](c1nc3cncc(Br)c3[nH]1)O2 587081392 UODYUEYSYPIZKH-LBPRGKRZSA-N 350.603 4.050 0 1 FIAF Cn1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C(F)(F)F)c1 587114975 BNZWFKHGDAUQRR-UHFFFAOYSA-N 371.366 4.419 0 1 FIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(F)c(C)c3[nH]2)cc1 587245743 YZGXTQIADUUHOI-UHFFFAOYSA-N 364.380 4.150 0 1 FIAF CCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2cc(OC)ccc21 587391401 RIAGKDNOMHEVMB-HXUWFJFHSA-N 350.418 4.267 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(=O)c3ccco3)cc1)O2 587415015 XQIZJYKYEXFKGN-LJQANCHMSA-N 363.369 4.096 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1scc(Br)c1C)[C@@H](C2)C3=O 587454307 YAPIXXWXSSEKMI-BONVTDFDSA-N 365.248 4.316 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)C(=O)OC)CC2=O 587481661 RFKVCYUAERUYAJ-PEBXRYMYSA-N 368.429 4.015 0 1 FIAF C[C@@]1(c2cccc3[nH]ncc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592874 IAGZZRKBJADJHH-KNQAVFIVSA-N 372.380 4.146 0 1 FIAF COc1cc(F)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587727068 AAQXNLZPBQSFOC-HUTHGQBESA-N 368.221 4.360 0 1 FIAF CCOc1ccncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587774999 PGMJPZKLQXLBAG-DYZYQPBXSA-N 365.246 4.006 0 1 FIAF CC(C)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 587776968 ZJDHUMBAEIDFLD-VFZGTOFNSA-N 353.235 4.323 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cnccc3[nH]2)N1 587800619 BXVVBKVOFXWNNH-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3occc32)N1 587834772 SQPHILGWVFWFGO-BTDLBPIBSA-N 350.231 4.295 0 1 FIAF CC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587846464 HOCHPJBHLUCJEK-ZKANADHPSA-N 368.271 4.476 0 1 FIAF CCOc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856743 XPMOQCAMVNDFES-XLKFXECMSA-N 371.275 4.067 0 1 FIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587938723 ZHBUJZGUGCSHKP-MGPLVRAMSA-N 366.339 4.307 0 1 FIAF COc1ccc2oc(C3CC3)c([C@H]3NCCc4nc5ccccn5c43)c2c1 962999599 YRJXOZMIAPXKQE-HXUWFJFHSA-N 359.429 4.202 0 1 FIAF Oc1cccc([C@]23CCC[C@H]([C@@H]2O)N(C[C@@H]2C[C@H]2c2ccccc2)CC3)c1 1772608906 QIHQXOJGQNRHKT-IPVWATMDSA-N 363.501 4.053 0 1 FIAF CN(C)CCCN1c2ccccc2Sc2nc(Cl)c(Cl)nc21 1857744753 QKPFXIJBZFFFKG-UHFFFAOYSA-N 355.294 4.338 0 1 FIAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)oc2C)CC1 61905826 GKIVNAUAPWUUJN-CQSZACIVSA-N 361.463 4.122 0 3 FIAF CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(Cl)cc2)O1 95598747 KTAIDOJORCYDTH-DOMZBBRYSA-N 350.871 4.307 0 3 FIAF CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(C)cc2)CC1 201475569 XJXJIEUWIDPYBT-UHFFFAOYSA-N 351.490 4.383 0 3 FIAF COc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)=C(c1ccccc1)C2 841083 RNQHQDOYQDLKDV-UHFFFAOYSA-N 361.363 4.231 0 1 FIAF Cc1cc(-c2ccc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)cc2)on1 6941882 ZNHCONNUKSCQCQ-LJQANCHMSA-N 368.458 4.006 0 1 FIAF COc1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc(OC)c1 13489737 MHHCPQUFBADOGH-UHFFFAOYSA-N 373.416 4.090 0 1 FIAF O[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)C[C@@H]1NCc1ccccc1 13648544 KVFPFYVUWUNGRU-KMDXXIMOSA-N 373.496 4.127 0 1 FIAF O[C@@](Cn1ccnc1)(c1ccc(F)cc1)c1ccccc1-c1cccnc1 26844424 VJRVCTWTQFKXFS-QFIPXVFZSA-N 359.404 4.020 0 1 FIAF O=C1NC[C@H](c2ccc(F)cc2)C12CCN(C1(C3CC3)CCCCC1)CC2 40566114 NAKJFKNFWPTOSL-HXUWFJFHSA-N 370.512 4.234 0 1 FIAF CC1(C)OC(=O)C2=C1Nc1cc3c(cc1[C@@H]2c1cccc(Cl)c1)OCO3 42889052 DVLPKEYCAVRPDN-INIZCTEOSA-N 369.804 4.216 0 1 FIAF CCCCCCCCCCCC(=O)[C@H]1C(=O)CCC(C(=O)OC)=C1O 70664658 BBECDQNJHXFAHF-SFHVURJKSA-N 352.471 4.441 0 1 FIAF biogenic CCOc1cccc(-c2nc(CN3CCN(C4CCCCC4)CC3)co2)c1 72184217 ULXCDXGWMNXKEC-UHFFFAOYSA-N 369.509 4.191 0 1 FIAF CCc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccccc2)s1 82162803 BLLSAPUSCUXAFN-OAHLLOKOSA-N 366.490 4.420 0 1 FIAF CC(=O)O[C@H]1/C=C(/C)CC/C=C(\C)[C@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169364161 CLLDSYFHQCFUQA-CSXFIBRESA-N 364.526 4.325 0 1 FIAF C[C@@H]1c2c3c(c(Cl)c(Cl)c2C(=O)[C@@H]1C1CCCC1)O[C@@H](C(=O)O)C3 299818071 DQFOSDZUPRONCV-XROYCOCOSA-N 369.244 4.488 0 1 FIAF C[C@@]1(c2ccc(F)cc2)CCn2nc(COc3ccccc3)cc2C1=O 299839475 SCBKYYJGFWZNRU-NRFANRHFSA-N 350.393 4.146 0 1 FIAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 587012999 XMJMNCRSUPCIEB-SFHVURJKSA-N 363.446 4.309 0 1 FIAF Cc1c(Br)ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c12 587020966 DXBOXLVUNQGBSX-UHFFFAOYSA-N 374.267 4.158 0 1 FIAF Cc1c(Br)cc2nc(C(F)(F)c3ccccn3)[nH]c2c1C 587089514 TXUDBOMLLZQZDX-UHFFFAOYSA-N 352.182 4.477 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2ccc(CC)cc2[nH]1)C(F)(F)F 587092363 KUHNCJZOCGYKLX-SFHVURJKSA-N 363.383 4.289 0 1 FIAF COC(=O)C1=Cc2nc3c(C)ccc4c3c(c2CC1)-c1ccccc1C4=O 587096353 CZXMFLDCVNCFTJ-UHFFFAOYSA-N 355.393 4.257 0 1 FIAF COc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167234 ITNDDFKZPFOTPO-QGZVFWFLSA-N 354.385 4.080 0 1 FIAF Fc1cnc2[nH]c(-c3cc(I)ccc3Cl)nc2c1 587182888 OXCZSXNNVNWSME-UHFFFAOYSA-N 373.556 4.022 0 1 FIAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)cc1 587243191 CXDNMNQKDRYMMZ-UHFFFAOYSA-N 357.369 4.180 0 1 FIAF CCOC(=O)C[C@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587376602 DQXXKNJLJDFZRC-FQEVSTJZSA-N 373.836 4.045 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)cc(OC)c1)CC2=O 587480279 ONDMNCLRJBLTJT-OAQYLSRUSA-N 356.418 4.243 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(C)=O)c(C)nc1C)CC2=O 587485603 IZQVEQXURMOKEL-JOCHJYFZSA-N 367.445 4.440 0 1 FIAF Cc1csc(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)n1 587535937 PUYSSXJCYIHXRK-UHFFFAOYSA-N 368.502 4.335 0 1 FIAF CC1(C)Cc2sc(=N)[nH]c2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587537114 ARRXEXJUUSAOJB-OAQYLSRUSA-N 368.502 4.268 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2c1cccnc1 587584900 BNXKTEGHNZLRQR-NYDSKATKSA-N 373.408 4.455 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnccc2Cl)N1 587696663 LSZYDQZUEQEBIB-ANRSDYALSA-N 355.638 4.260 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(CN(C)C)CCCC2)N1 587739435 GWLJHZOGSMPUQC-YVEFUNNKSA-N 369.322 4.286 0 1 FIAF CCCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789377 BPDQLSJSEDEZOE-GTNSWQLSSA-N 372.278 4.071 0 1 FIAF Cc1nccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587802182 KPJNVQJSKOQWDG-YYSFKGJASA-N 374.257 4.397 0 1 FIAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587807199 KDGOMSPXOLMVLP-BMLIUANNSA-N 350.231 4.220 0 1 FIAF CCO[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587812494 QWOLQYUQEFQKFY-FABXCBLPSA-N 356.279 4.297 0 1 FIAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 587828823 QEHCZIVABWYMSB-NRVVADSZSA-N 350.275 4.384 0 1 FIAF Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1C 587850655 DUXJNIICTWGYFS-WJWGPLDTSA-N 355.276 4.285 0 1 FIAF COc1ccc([C@H](O)[C@H](C)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587938347 VFRSTAZJLXSGHC-MGPLVRAMSA-N 366.339 4.307 0 1 FIAF N[C@@H](N=O)c1ccc(NC(=O)OC2c3ccccc3-c3ccccc32)nc1 957756864 WDAKAVGKSVOQBJ-IBGZPJMESA-N 360.373 4.124 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(OC)cc2)(c2ncco2)N1 962949259 FCDLOFAXOTYDBA-HJPURHCSSA-N 373.456 4.381 0 1 FIAF Fc1cc(F)cc([C@@]2(c3ccsc3)NCCc3nc4ccccn4c32)c1 962989454 QDWYWOJAHPNQIE-HXUWFJFHSA-N 367.424 4.112 0 1 FIAF Cc1ccc2c(c1)C(=O)[C@]1(NCCc3ccc(O)cc31)[C@@H](c1ccccc1)O2 963342704 SCZSXZZTNRNYDT-RPWUZVMVSA-N 371.436 4.058 0 1 FIAF COc1cc([C@@H]2NCCc3cccc(Cl)c32)c(Br)cc1O 963392284 ZGOBSPCJXVVEHE-INIZCTEOSA-N 368.658 4.052 0 1 FIAF CC(=O)Nc1cc(C)cc2cc(COC(=O)NCc3ccccc3)oc12 1857549515 TXDVKTDFYXCUCQ-UHFFFAOYSA-N 352.390 4.126 0 1 FIAF Cc1ccc(C)c(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 1857617914 NXYPCZCZGOBXRM-XMMPIXPASA-N 369.468 4.210 0 1 FIAF COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3cccc(O)c3)C2)cc1C 12725759 LYEPYNGDPQCPDC-GOSISDBHSA-N 353.462 4.113 0 3 FIAF Cc1ncsc1C(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 14976107 HDJSSVRZKVZBLT-SFHVURJKSA-N 364.470 4.340 0 3 FIAF C[C@H](C(=O)COCc1ccccc1)[P@]1(=O)OC(C)(C)CN1C(C)(C)C 6002153 YYOPTHXSDWHHKU-BZQUYTCOSA-N 367.426 4.263 0 1 FIAF O=C(O)[C@@H]1CCCN(CCSC(c2ccccc2)c2ccccc2)C1 13729373 BLCJQHIWIZSPFB-LJQANCHMSA-N 355.503 4.306 0 1 FIAF C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@@H]2OC(C)=O 14508927 HTNGGVARAVBBLP-OQYZPLRDSA-N 358.478 4.185 0 1 FIAF biogenic Cc1ccc([C@]2(Cn3ccnc3)OC[C@@H](c3ccc(Cl)cc3)O2)cc1 28768455 YEFXQLLIGSJVJU-VQTJNVASSA-N 354.837 4.486 0 1 FIAF C/C=C/C/C=C/C=C/C=C/CCCOC(=O)C[C@@H](C)OC(=O)C[C@@H](C)O 34259584 XKXAEQCZZGRRAV-BXQDGFAKSA-N 364.482 4.037 0 1 FIAF COc1cccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 45283697 CNZNMDJWLSHLJZ-UHFFFAOYSA-N 357.409 4.281 0 1 FIAF in-vivo CCC1CCC(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)CC1 45315391 FJDXEYUKDXDFBU-UHFFFAOYSA-N 368.521 4.373 0 1 FIAF Cc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2ccco2)o1 82165640 FQBNJDFFDHCFCV-UHFFFAOYSA-N 362.389 4.191 0 1 FIAF CSCC[C@H](Nc1nc(-c2ccc(F)cc2)cs1)C(=O)NC(C)C 82192268 IPETYQCRDYZFBG-AWEZNQCLSA-N 367.515 4.007 0 1 FIAF COc1ccc(C2=NN(C(C)C)C(=O)C2(C)C)cc1OCc1ccccc1 95555463 PFWJOJSKZYNKAB-UHFFFAOYSA-N 366.461 4.255 0 1 FIAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(C)[C@H](C4)[C@H]13 100902608 BKKGVUYVPORNKS-WRULCJHGSA-N 372.468 4.239 0 1 FIAF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23O4 101714966 ZYKMTDJLVLDTLW-DLJUDYGDSA-N 362.441 4.481 0 1 FIAF COc1ccc(-c2c(-c3ccccc3)nc3ccccn3c2=O)cc1OC 103238364 OKQMSHATQACXBD-UHFFFAOYSA-N 358.397 4.046 0 1 FIAF CC1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2)/C1=C(\O)OC1CCCCC1 104059983 WVZKWAHLLWMCDM-UYTDBDHRSA-N 373.844 4.141 0 1 FIAF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1/C=C/[C@@H](O)C1CCCCC1 169369106 CEHGUSRXHYTTPN-UPSLCILRSA-N 362.510 4.479 0 1 FIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(F)c(C)c2[nH]1 586974642 WVEKGOTVAWDNEY-KRWDZBQOSA-N 357.454 4.121 0 1 FIAF Cc1c(Br)ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 587044598 ZRUAQSPYNCFHBN-UHFFFAOYSA-N 374.263 4.345 0 1 FIAF Cc1nn(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)c(C)c1Cl 587065392 PQQQZXFXLTXMTE-UHFFFAOYSA-N 366.808 4.415 0 1 FIAF C=CC(=O)NC(C)(C)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102985 CCGMTNPQNBYVBZ-UHFFFAOYSA-N 356.425 4.070 0 1 FIAF COC(=O)C[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107145 OZILBGCIJGAJOM-CYBMUJFWSA-N 357.409 4.429 0 1 FIAF Fc1ccc2c(c1)C[C@@H](c1nc3c(Br)cnc(Cl)c3[nH]1)O2 587173747 IOOHPASEIVUCJT-JTQLQIEISA-N 368.593 4.189 0 1 FIAF Fc1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(N2CCCC2)n1 587177717 VTRUPZIQOJJKLJ-UHFFFAOYSA-N 366.318 4.263 0 1 FIAF COc1ccc(NC(C)(C)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587201202 JVGVOJNZLDERGB-UHFFFAOYSA-N 353.319 4.475 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)cc1OC(F)F)O2 587382910 PQPOCFVBIBYHJF-SFHVURJKSA-N 351.324 4.198 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)nc1Cl)[C@@H](C2)C3=O 587423066 SZRCVARRIBMIQS-GTNSWQLSSA-N 350.201 4.060 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2cc(O)ccc21 587486387 XKTBJIONIIZZNV-QFIPXVFZSA-N 368.429 4.472 0 1 FIAF COc1cc(F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570683 XFEBAVBXMDYALK-RXVVDRJESA-N 366.344 4.243 0 1 FIAF Nc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575783 DIVXVWCYLQDNTJ-NZQKXSOJSA-N 373.408 4.168 0 1 FIAF Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12 587585110 BCEPLRHASGPFFC-GCJKJVERSA-N 372.380 4.051 0 1 FIAF CC(C)c1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587587723 PONGBRPZLAAKRH-YLJYHZDGSA-N 362.385 4.009 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2ccccc2[nH]1 587658197 KXYHZNRCUVAQLE-UHFFFAOYSA-N 374.350 4.207 0 1 FIAF Cc1cc2c([nH]1)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587801070 CZUPOISMOGKJPT-ZMZPIMSZSA-N 363.274 4.339 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nc[nH]c23)N1 587801256 FHOZUMDEJYAEEU-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cc3ccccc3OC2)N1 587835559 PSPGWNSPMYGHBR-BLVKFPJESA-N 374.253 4.424 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2C=O)N1 587848127 ZSXILGCSKOVWQT-XLKFXECMSA-N 354.244 4.086 0 1 FIAF Cc1nc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587856104 XYCXVYYPRFUOQM-ANRSDYALSA-N 355.276 4.151 0 1 FIAF CCc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856204 WSBCWIVFIGKHRY-XLKFXECMSA-N 355.276 4.231 0 1 FIAF O=C(CSc1nc2ccccc2[nH]1)n1nc2cc1Oc1ccc(F)cc1-2 587876857 VEDRTRKKKGFJGO-UHFFFAOYSA-N 366.377 4.104 0 1 FIAF CO[C@@H](C)COC1CCC(c2nc3c(Cl)cnc(Cl)c3[nH]2)CC1 587952687 VNTWPQKXMLYTRP-WHXUTIOJSA-N 358.269 4.342 0 1 FIAF Cc1ccc(Cn2cc(NC(=O)c3cc(-c4ccco4)on3)cn2)c(C)c1 621476118 ODXOVXIIUOCIQL-UHFFFAOYSA-N 362.389 4.049 0 1 FIAF COc1cc([C@@H]2O[C@@H](C)Cn3c2c(C)c2ccccc23)cc(OC)c1OC 653822813 IYFFKAKFEUGHGH-ZSEKCTLFSA-N 367.445 4.484 0 1 FIAF COc1ccc2c(=O)c([C@H]3c4c(F)cccc4C[C@@H]4CCCN43)coc2c1 963099288 JLMFZPMGEVOHFE-QKKBWIMNSA-N 365.404 4.051 0 1 FIAF NS(=O)(=O)c1ccc(SCc2ccccc2-c2ccccc2)s1 1772634017 HUPWCJRQUJXEQL-UHFFFAOYSA-N 361.513 4.355 0 1 FIAF CC[C@@H](C)Sc1nc(O)c(C)c([C@H](OC)c2c(F)cccc2F)n1 1857601849 HYFILTOLHVUOFD-RFAUZJTJSA-N 354.422 4.395 0 1 FIAF COc1ccc([C@H]2C[C@@](C)(OC)Oc3c2c(=O)oc2ccccc32)cc1 1857746915 UHDUKYUECUHRSM-IERDGZPVSA-N 352.386 4.079 0 1 FIAF O=c1ccc(-c2ccc3c[nH]nc3c2)cn1Cc1cccc(C(F)(F)F)c1 2382222109 HVXHSDUKHSDIIZ-UHFFFAOYSA-N 369.346 4.459 0 1 FIAF COc1cc2occ(-c3cc(Cl)c(O)c(Cl)c3)c(=O)c2cc1OC 2382241003 VJQYHRFOHVSCJT-UHFFFAOYSA-N 367.184 4.490 0 1 FIAF COc1ccc(C[C@@H]2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)cc1 2382245481 RJQNIMGFQVFICC-JKFKMHIGSA-N 365.517 4.000 0 1 FIAF CC(C)Oc1cccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)c1 2382252437 YJBKPEFKFLIWEO-UHFFFAOYSA-N 359.429 4.343 0 1 FIAF O[C@@]1(c2ccc(Cl)cc2)c2ccccc2C2=NCc3ccccc3CN21 6002630 DGLUIONDYMRDKN-QFIPXVFZSA-N 360.844 4.309 0 1 FIAF CC(C)CNC(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)C=C[C@H]2CCCC[C@H]21 13430096 XXCDOPSOGKREDB-FLTJSSMESA-N 355.478 4.264 0 1 FIAF COc1ccc2c(C[C@H](C)NC[C@@H](O)c3cccc(Cl)c3)c[nH]c2c1 13488819 AIYBKTHGVJGOBK-RNODOKPDSA-N 358.869 4.084 0 1 FIAF Cc1cn2c(NC34CC5CC(CC(C5)C3)C4)nc(-c3ccccc3)nc2n1 13491995 NFKOJNZWQBLXTJ-UHFFFAOYSA-N 359.477 4.480 0 1 FIAF O=C(Nc1ccccc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 40356387 ICASXVHIXTXGMF-UHFFFAOYSA-N 366.852 4.242 0 1 FIAF CCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1CCNCC1 40951803 REISQSFVUDAFPJ-UHFFFAOYSA-N 374.847 4.485 0 1 FIAF CC(C)N(Cc1cnc[nH]1)c1ccc(Br)c(Br)c1 43194984 SYRIFLSDRZBMEN-UHFFFAOYSA-N 373.092 4.350 0 1 FIAF C[C@@H](CC(F)(F)F)C(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 71330106 YTDZZORHCDZYGG-JTQLQIEISA-N 373.400 4.093 0 1 FIAF Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N2CCCCC2)c1 82146333 CMUPFEGIKJQHHY-UHFFFAOYSA-N 364.493 4.068 0 1 FIAF Oc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 140122829 VZCBEVKRIQVXHM-UHFFFAOYSA-N 354.413 4.001 0 1 FIAF C[C@@H](Nc1nccc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1)c1ccccc1 142103636 RARVJANBOPOITE-APWZRJJASA-N 374.444 4.218 0 1 FIAF CCOC(=O)[C@@H]1C(=N)Oc2ccc3ccccc3c2[C@@H]1c1ccc(O)cc1 169689620 WNXLAKLDGWGQFO-ICSRJNTNSA-N 361.397 4.226 0 1 FIAF CC(C)[C@H](CO)NCc1nc(-c2cc(Cl)cc(Cl)c2)ccc1F 204419686 ZQKMHDHKJZCWON-KRWDZBQOSA-N 357.256 4.301 0 1 FIAF COc1ccc(Cc2c(O)cc(O)c3c2CCc2cc(OC)ccc2-3)cc1 238742270 MYHHFXMCMGRTKV-UHFFFAOYSA-N 362.425 4.471 0 1 FIAF Cc1noc(C)c1-c1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)OC3)c1 299823597 RFMUVQXFILOQCW-NRFANRHFSA-N 373.412 4.348 0 1 FIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587071058 VNBGWJSAEMVAQP-VIFPVBQESA-N 355.656 4.203 0 1 FIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc5ncccc5c4[nH]3)cc2N1 587125729 SSIYNAUSQPMPTA-XPTSAGLGSA-N 372.354 4.282 0 1 FIAF C[C@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172670 JTNSKLTUXSCIKI-QGZVFWFLSA-N 364.298 4.349 0 1 FIAF O=C(OCc1ccccc1)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)CC5 587211491 FPPFSRXNSGPKJE-PKOBYXMFSA-N 370.452 4.242 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNc3c(Br)cccc31)O2 587371315 KHHWBGTVQBTAAF-GOSISDBHSA-N 373.250 4.016 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccccc1Cl)O2 587379063 RQPXAAVADIECBP-KRWDZBQOSA-N 353.809 4.327 0 1 FIAF Cc1cc(F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587381374 IHNVZWPHHYQQIC-OAHLLOKOSA-N 364.214 4.494 0 1 FIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC(F)(F)F)c1 587381628 HHIKQRMJCVBABS-OAHLLOKOSA-N 367.323 4.191 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)cc1C(F)(F)F)O2 587383370 WLKIKTQZUSHNKL-KRWDZBQOSA-N 351.324 4.182 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(C)ccc1N)[C@@H](C2)C3=O 587433574 SIXUXLXRONNGOA-CYFREDJKSA-N 371.436 4.277 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)OC)cc1)CC2=O 587480161 NROCJBFNBIANPB-OAQYLSRUSA-N 354.402 4.012 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCC[C@H](C)C1)CC2=O 587481897 YAXZYQFWWWIPCO-MGPUTAFESA-N 359.510 4.437 0 1 FIAF CCC[C@@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617087 OTZXHJVTIGROQI-IQVOZAENSA-N 354.402 4.072 0 1 FIAF CCn1cnc(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587707214 UWWGWPUGQYBZAP-ISVAXAHUSA-N 372.669 4.082 0 1 FIAF CCCCn1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587760072 NWBYUZVEKIGJHU-DIFFPNOSSA-N 366.278 4.208 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3cc[nH]c3c2)N1 587801745 HXTKOXJUXTYYHJ-XYZCENFISA-N 360.230 4.088 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(F)(F)F 587856746 YLZHRYMZSKWUKP-UHFFFAOYSA-N 353.127 4.458 0 1 FIAF COC(=O)c1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cn1 587959922 SMFJTUIIZAHBAL-UHFFFAOYSA-N 357.413 4.311 0 1 FIAF CC(=O)c1ccc(OCCCCCN2CCc3ccccc3C2)cc1O 1857575750 MJOAXIJUIVMWRP-UHFFFAOYSA-N 353.462 4.202 0 1 FIAF CN(CCOc1ccccc1)c1nc(-c2ccccn2)nc2ccccc12 1857620684 JFLVQQWOPBLWSZ-UHFFFAOYSA-N 356.429 4.207 0 1 FIAF COc1ccc(-c2cnc3cnc(-c4ccnc(C(F)(F)F)c4)cn23)cc1 2382222715 INMBWMFZFDZGFP-UHFFFAOYSA-N 370.334 4.486 0 1 FIAF Cc1ccc2nc(Cl)c(Cn3cc(COc4ccccc4)nn3)cc2c1 2382237848 FKUFXILTRYXQLQ-UHFFFAOYSA-N 364.836 4.415 0 1 FIAF Cc1ccccc1NC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1C 206044424 VUFSBBGXRIIDIA-NIRMNWTQSA-N 369.509 4.076 0 3 FIAF CCC(=O)NC[C@H]1CCCc2c1c1cc(OC(F)(F)F)ccc1n2C 13777813 JAIWHQXBMHYHKQ-LLVKDONJSA-N 354.372 4.023 0 1 FIAF Cc1ccc2ccc3c(c2n1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-3 13815945 MXKZFNJSAXLWNC-UHFFFAOYSA-N 364.348 4.343 0 1 FIAF COc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc2c1CCN(C)C2 26735025 ZPHPTCALWOGDCA-UHFFFAOYSA-N 352.478 4.233 0 1 FIAF CN1CC=C(c2c[nH]c3ccc(CNC(=N)c4cccs4)cc23)CC1 34805984 KKBONEJWYQUWTK-UHFFFAOYSA-N 350.491 4.063 0 1 FIAF N[C@H]1CCN(Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)C1 45192892 XPDMDGCOZLPEEH-KRWDZBQOSA-N 374.513 4.491 0 1 FIAF COc1cc(Nc2cc(Oc3ccc(C)nc3)ccn2)cc(OC)c1OC 45283795 FUUAJSSRXYXCAH-UHFFFAOYSA-N 367.405 4.347 0 1 FIAF CCOc1ccc2c(c1)c1c(n2CCF)CCC[C@@H]1C(=O)N(CC)CC 73198879 NWTOHPLZYJPHQI-INIZCTEOSA-N 360.473 4.298 0 1 FIAF O=C(CCCN1CCCCC1)NCCCCc1ccc(C(F)(F)F)cc1 96939852 KHBKOSWGNBBNFV-UHFFFAOYSA-N 370.459 4.410 0 1 FIAF O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1n[nH]c2ccccc12 101185169 IHAPBZBYXJKWJA-LFUKPOHLSA-N 367.880 4.231 0 1 FIAF COc1ccc(-c2nc3ccccn3c(=O)c2-c2ccccc2)cc1OC 103238359 HCMITHCVVSIPJQ-UHFFFAOYSA-N 358.397 4.046 0 1 FIAF CC(C)CCN1C[C@H]2CC[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)[C@@H]2C1 169314230 LUMJFYQEUQLNSP-FSPWUOQZSA-N 369.336 4.480 0 1 FIAF CC[C@@H](NCc1cnc[nH]1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 220746360 VNUGBUBWBSYHQM-MRXNPFEDSA-N 372.831 4.069 0 1 FIAF c1ccc(-c2cc(Nc3nc(N4CCCCCC4)nc4c3CCC4)n[nH]2)cc1 299868128 QXOLJHUEQFNGSO-UHFFFAOYSA-N 374.492 4.479 0 1 FIAF Clc1cnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587016733 BMUCPJOUKKRQPL-UHFFFAOYSA-N 354.822 4.337 0 1 FIAF Clc1cccc(-c2cc(-c3nc4ncc(Br)cc4[nH]3)n[nH]2)c1 587067895 BAJURYGYVWLLHY-UHFFFAOYSA-N 374.629 4.431 0 1 FIAF N=C(N)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587103824 JQNYFRYBKOPCQN-UHFFFAOYSA-N 364.408 4.419 0 1 FIAF O=C(O)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587107225 PTLCQRFLLWMOQQ-UHFFFAOYSA-N 352.349 4.206 0 1 FIAF COc1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)nn1-c1ccccc1F 587155327 DTNUBYCNWBRQEK-UHFFFAOYSA-N 360.751 4.356 0 1 FIAF COC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cn1 587245454 SZHYXBLNNXMOAT-UHFFFAOYSA-N 370.718 4.475 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(F)cc1F)O2 587385014 LATKVUWHSLOCPC-IBGZPJMESA-N 354.356 4.353 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)CN(C)Cc1ccccc1)O2 587387584 QEZZTIWTWIWXEO-HXUWFJFHSA-N 352.478 4.069 0 1 FIAF CCN(C(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1C 587388268 ZKGSNQAQSYZGTI-QFIPXVFZSA-N 366.461 4.053 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(C(=O)O)c1)O2 587406447 HPGRXKPBZKAILR-HSZRJFAPSA-N 373.408 4.184 0 1 FIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587422922 RGCYCTAHNRSWRJ-IMZWBVRYSA-N 369.848 4.067 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C=O)cc4)nc1)[C@@H](C2)C3=O 587435738 JDBUPSFXDZUORM-FDDCHVKYSA-N 371.392 4.058 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)nc1Cl)CC2=O 587459723 FYLTXYSKHPRWJC-INIZCTEOSA-N 360.841 4.166 0 1 FIAF Cc1cccnc1C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589166 UGSUFMVMAZYRTB-UGKGYDQZSA-N 361.397 4.059 0 1 FIAF C[C@@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591628 DFZYPNHKGFUXKV-KNQAVFIVSA-N 362.381 4.192 0 1 FIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601508 SLINQJGXOBROIK-KNQAVFIVSA-N 362.381 4.278 0 1 FIAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587726749 ZLXIMPDSCRDUJH-HUTHGQBESA-N 368.221 4.360 0 1 FIAF COc1cc(F)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587733666 RRCMRAPLYHGLLG-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)c3ccccc32)N1 587766867 HODVRMSURWLGKK-CWTRNNRKSA-N 373.269 4.330 0 1 FIAF COc1ccc(-c2nc3c(C)c(Br)cnc3[nH]2)c(OC)c1C 587788291 WASCJKJWKQBBKP-UHFFFAOYSA-N 362.227 4.021 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(OC(C)(C)C)C2)N1 587812699 RKJRVVKVACPZBY-MMODKWEGSA-N 356.279 4.295 0 1 FIAF CC(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587816420 XXPFJEBFBMTSNU-MLCYQJTMSA-N 362.242 4.414 0 1 FIAF COc1ccccc1CC(=O)c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 587930348 ONTJPIDUVUDRKX-UHFFFAOYSA-N 352.287 4.155 0 1 FIAF Cn1cnc2cc([C@@H]3NC4(CC4)Cc4ccc(Br)cc43)ccc21 961314813 AUSMDRXQQHEEQB-SFHVURJKSA-N 368.278 4.104 0 1 FIAF COCCCN1CCc2ccc(OC)cc2[C@@]1(C)c1cccc(F)c1C 961318301 FXWSTPHQIOQRTF-JOCHJYFZSA-N 357.469 4.301 0 1 FIAF CCOCc1ncc([C@H]2c3ccsc3CCN2Cc2cccn2C)s1 962374196 OUPYRCDYAZKROS-LJQANCHMSA-N 373.547 4.227 0 1 FIAF COc1cc2c(cc1[C@@H]1c3ccc(F)cc3C[C@H]3CCCN13)O[C@@H](C)C2 963114576 UUVUYEIKIZGIMK-GZOOOWMASA-N 353.437 4.268 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(C)=O 1857536570 ZJNYSXYHIAEESM-KIYFCUGLSA-N 374.521 4.059 0 1 FIAF FC(F)(F)c1ccc(Nc2cc3nc(C4CCOCC4)[nH]c3cn2)nc1 1857761154 XMOXLUQWIURAHS-UHFFFAOYSA-N 363.343 4.009 0 1 FIAF CC[C@H](CO)Oc1cc(NCc2cccc(O)c2)c2ncn(C(C)C)c2c1 61948943 VBUXSNHGUJCHOX-QGZVFWFLSA-N 369.465 4.085 0 3 FIAF O=C1COCc2cc(-c3cccc(O)c3)ccc2N1CCc1ccccc1 74375807 VPWRMRWNAIMZDI-UHFFFAOYSA-N 359.425 4.165 0 3 FIAF Cc1cnc(-c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2ccccc2)[nH]1 5892919 YZEAJCOIBSMIOB-UHFFFAOYSA-N 371.849 4.353 0 1 FIAF O=C([C@@H]1[C@@H](c2ccc3c(c2)OCO3)C=C[C@H]2CCCC[C@H]21)N1CCCC1 14952145 QXSFPRUSCMGQOM-FLTJSSMESA-N 353.462 4.114 0 1 FIAF biogenic,in-vitro CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(=O)[C@@H]1[C@@H]2c1ccccc1 18175779 LKJTYRKPZBRMJH-LSDHHAIUSA-N 367.474 4.127 0 1 FIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2)C2=C(O)CCCC2=N1 19770208 AJEZSRMBOINRKV-OXJNMPFZSA-N 367.445 4.217 0 1 FIAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(C(=O)O)cc3)c(C)nn12 27195377 BMIVXJKFBLBVFC-UHFFFAOYSA-N 366.465 4.338 0 1 FIAF CC[C@@H](c1ccc(F)c(C(F)(F)F)c1)n1c(C(=O)OC)c[nH]c1=S 28351705 ROMDDEQTMYTOPI-NSHDSACASA-N 362.348 4.490 0 1 FIAF COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(Cl)nc3Cl)c1C2 28954419 RIRDKRREPJVDDC-UHFFFAOYSA-N 362.216 4.367 0 1 FIAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC)CN(C)[C@H]1C2 29488813 BOMVRTMBCWESTQ-BPAFIMBUSA-N 354.494 4.135 0 1 FIAF COc1cccc(C2=CC(C)(C)Oc3cc(OCCN(C)C)ccc32)c1 45226665 YACQXMDFTBSJPQ-UHFFFAOYSA-N 353.462 4.238 0 1 FIAF CCC(CC)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C 45245173 BLAJJXCTANZRDH-UHFFFAOYSA-N 353.470 4.350 0 1 FIAF Cc1ccc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)cc1C 72101616 PVUTVTAWTJQVHG-UHFFFAOYSA-N 365.452 4.420 0 1 FIAF COC(=O)[C@@H]1C[C@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@H]1C3 85956521 USASLHCCADYMNF-DDZIBDJCSA-N 362.510 4.362 0 1 FIAF in-man O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1cccs1 95575592 HFXBOTYGDZHGMS-UHFFFAOYSA-N 358.294 4.356 0 1 FIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)C1 96929236 KKKDKPNLCGIUKS-IIBYNOLFSA-N 367.468 4.141 0 1 FIAF Brc1ccc(COc2ccc3c(c2)CCCc2nncn2-3)cc1 103220250 WZZGCHTVZBNYST-UHFFFAOYSA-N 370.250 4.098 0 1 FIAF COc1c(O)cc2oc(-c3ccc(O)cc3)c(/C=C/C(C)C)c(=O)c2c1O 139684385 RJROYLPVIJTJAA-RUDMXATFSA-N 368.385 4.255 0 1 FIAF Cc1nc(NCCc2ccc(O)cc2)cc(-c2ccc3ncsc3c2)n1 142789095 UAWXXOSNZGODFT-UHFFFAOYSA-N 362.458 4.422 0 1 FIAF CCc1c(C(=O)NCCc2cccc(OC)c2)[nH]c2ccc(Cl)cc12 299861234 HXWVLNNFTRICEJ-UHFFFAOYSA-N 356.853 4.365 0 1 FIAF CCc1ccnc(-c2nccn2Cc2nnc(-c3ccccc3Cl)o2)c1 473087931 GRHZKYJYNSVPKW-UHFFFAOYSA-N 365.824 4.259 0 1 FIAF O=C1N(c2ccncc2)CCN1c1cccc2c1cnn2-c1ccccc1F 584625513 RPGAGCSEOOCHRH-UHFFFAOYSA-N 373.391 4.006 0 1 FIAF Cc1c(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905675 YLTDMEOXLISWQC-GOSISDBHSA-N 374.444 4.332 0 1 FIAF FC(F)(F)C(F)(F)c1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cn1 586917820 GJLGARXALPVSIW-LBPRGKRZSA-N 371.265 4.125 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc12 587061303 UUBGAVYQGFLIMR-UHFFFAOYSA-N 371.231 4.110 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc(Br)cc1)O2 587372665 QNDZCYKKJSHZIT-AWEZNQCLSA-N 360.251 4.306 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccccc1N)O2 587384602 NHYKRKOHZFUREB-JOCHJYFZSA-N 362.404 4.208 0 1 FIAF CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC)c1 587442019 NVTBIIWINNEGMF-VGOFRKELSA-N 368.429 4.155 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCSc4c(Cl)cccc41)[C@@H](C2)C3=O 587454392 XCFHAXKCCRCPKY-ORAYPTAESA-N 358.846 4.487 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccccc1)CC2=O 587466681 AZBIBSUSQXLGQQ-DGXIYAMASA-N 351.446 4.281 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COC)c1)CC2=O 587476254 ACKZVNBCZCKMAW-HXUWFJFHSA-N 356.418 4.206 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1c1cncnc1)CC2=O 587487385 FLARFHDIWZCHTH-LAUBAEHRSA-N 352.434 4.197 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(F)c2)N1 587724622 KJHSTIUZSFUVRH-VPTHRUTESA-N 354.194 4.057 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(C(C)(C)C)N1 587740313 JEQRGHOHAUWWGV-TVYURILXSA-N 369.322 4.439 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CN2CCCC2)N1 587769633 YSOQIWQVVBQWNS-SJCJKPOMSA-N 369.322 4.286 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccnc23)N1 587808577 ZSBUMXNLKFBZSY-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF COc1ccc(Cc2nc3cc(Br)cc(F)c3[nH]2)cc1OC 587926867 LSSGPIORJFYERG-UHFFFAOYSA-N 365.202 4.073 0 1 FIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)c(C)nc2[nH]1 587930325 OBQZUBLLPAHYPC-XIKOKIGWSA-N 372.266 4.483 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587932715 YYSBZALDKMFTLU-LHSJRXKWSA-N 362.408 4.342 0 1 FIAF CC(C)C(=O)C[C@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962641034 MXYXYWKZHAVTNL-ZJSXRUAMSA-N 362.517 4.264 0 1 FIAF COc1cc2c(cc1[C@@H]1c3ccc(F)cc3C[C@@H]3CCCN31)O[C@@H](C)C2 963114578 UUVUYEIKIZGIMK-SRMJIJMDSA-N 353.437 4.268 0 1 FIAF FC(F)(F)c1ccc(-c2nnc(CN3CCOc4ccccc43)o2)cc1 1857642416 TXQUHJJKZKFTLJ-UHFFFAOYSA-N 361.323 4.154 0 1 FIAF CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)C[C@@H]1C[C@@H](C)C(=O)O1 2356404647 SVOIVAHAKDYEOL-ZIAGYGMSSA-N 368.385 4.206 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@](C)(CO)CCC[C@]12C 2356769757 MMJMGOIGFQALOP-RQSWOZRGSA-N 350.499 4.012 0 1 FIAF O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(F)cc1 1647663 WGMQTIOOEZYVLD-UHFFFAOYSA-N 351.259 4.230 0 1 FIAF CC(C)(C)C(=O)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 1846318 FTJLKTBLZOULCL-GOSISDBHSA-N 370.836 4.045 0 1 FIAF in-man COc1cc(OC)cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 27107025 CDHZLCATQDBRER-UHFFFAOYSA-N 366.442 4.379 0 1 FIAF COc1ccc(SCCCN2CCN(c3cccc(C)c3)CC2)cc1 28886920 LKNIUHNDJMNUCD-UHFFFAOYSA-N 356.535 4.308 0 1 FIAF Nc1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1 36351894 AAOYBQGKRBCNLH-UHFFFAOYSA-N 359.351 4.407 0 1 FIAF Cc1ccc(C)c(C(=O)C[C@@H](C(=O)Nc2ccccc2)N2CCCCC2)c1 45355126 NAWUHQDFWMTDKF-NRFANRHFSA-N 364.489 4.369 0 1 FIAF COc1cc2c(cc1OC)C(=O)N1C=C(c3cc4ccccc4o3)C[C@H]1C=N2 49803458 SUALJZBTCPVSRF-HNNXBMFYSA-N 374.396 4.422 0 1 FIAF NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccc(O)cc1 53296898 QNLDNZHJFQMGHT-HNNXBMFYSA-N 366.273 4.094 0 1 FIAF Cc1ccc(-c2ccc3c(c2)CCc2[nH]n(-c4ccccn4)c(=O)c2-3)cc1 73222323 GJLFCFYETBPUNI-UHFFFAOYSA-N 353.425 4.302 0 1 FIAF C=C(CNC(=O)[C@H](O)CCCCCCCCCCCCCC)C(=O)OC 85894003 KDLXDSPUOIXPLQ-LJQANCHMSA-N 369.546 4.284 0 1 FIAF biogenic O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 95872297 XFLZELRWIBAHQY-PCCBWWKXSA-N 363.457 4.052 0 1 FIAF COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4)c3c2s1 96270452 KIMRTWGQATWAQF-UHFFFAOYSA-N 353.382 4.094 0 1 FIAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)cc1 100704650 TXIPZVIFMOHDDO-AWEZNQCLSA-N 369.446 4.127 0 1 FIAF CCOc1cc2nnnc(Nc3ccc(C(F)(F)F)cc3)c2cc1OC 103295868 CKJUACSBXGEKEF-UHFFFAOYSA-N 364.327 4.195 0 1 FIAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1C(=O)Nc1ccncc1 169351025 PCXGUXNUSQJTBH-CQSZACIVSA-N 368.245 4.195 0 1 FIAF C[C@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 169372538 CEQYMIBPHSHBNB-BNDVGMLYSA-N 356.462 4.076 0 1 FIAF Cc1ccc(N2CCc3ncnc(NCc4ccc(C(C)C)cc4)c3C2)nc1 202611051 OBJRUDSCGAPMLA-UHFFFAOYSA-N 373.504 4.478 0 1 FIAF Ic1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 586901490 LKDNWHBKLCUHAU-UHFFFAOYSA-N 350.159 4.305 0 1 FIAF O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 586996275 CVJSKYFITABGGR-CYBMUJFWSA-N 355.594 4.200 0 1 FIAF COc1ccc(-c2nc3ccnc(Br)c3[nH]2)c(C(F)(F)F)c1 587095596 MDPLUXVABJCRMW-UHFFFAOYSA-N 372.144 4.415 0 1 FIAF Fc1ccc(-n2nnc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2C2CC2)cc1 587168967 UFPIEQRMTZPGPO-UHFFFAOYSA-N 373.313 4.244 0 1 FIAF Oc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 587183557 YBPHECBASWFNHH-UHFFFAOYSA-N 370.577 4.194 0 1 FIAF COC(=O)Nc1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 587243005 AIPTXUSPKFWWII-UHFFFAOYSA-N 351.284 4.307 0 1 FIAF Cn1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587345196 YRSJYIXQQBXHJK-PZJWPPBQSA-N 351.377 4.144 0 1 FIAF CC[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357007 LZRBEOFUIPWGCG-PBEJRMEISA-N 356.393 4.218 0 1 FIAF Cc1cccc(-n2nc(C)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 587389918 KUYSQWQNIKKQEX-FQEVSTJZSA-N 361.445 4.395 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(F)c4)nc1)[C@@H](C2)C3=O 587429529 VWRCPTSCLSADAC-JTSKRJEESA-N 361.372 4.385 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4ccccn4)c1)[C@@H](C2)C3=O 587436098 NHGGNCWTYVPICZ-JTSKRJEESA-N 359.381 4.371 0 1 FIAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440147 APMWGYNUOFIHGQ-WYADAEROSA-N 350.414 4.014 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3cccn3)c(F)c1)CC2=O 587465172 BKZDQFQZFXWFST-FQEVSTJZSA-N 366.392 4.376 0 1 FIAF Cc1c(C(F)(F)F)n[nH]c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587507700 NRERYKIYYNDNED-AWEZNQCLSA-N 350.340 4.322 0 1 FIAF CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C 587525686 QYGHMDYUOPEGLC-GZWGPKMKSA-N 356.462 4.269 0 1 FIAF O=C1C[C@](c2ccco2)([C@@H](O)c2ccco2)Oc2c1ccc1c2CCCC1 587534798 YSPGGRISVHGIAL-VXKWHMMOSA-N 364.397 4.346 0 1 FIAF COc1cc(C)ccc1OCc1nc2ccc(F)c(Br)c2[nH]1 587563466 FPUCEMAUDWVZFD-UHFFFAOYSA-N 365.202 4.361 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2c(s1)CCC2 587618630 OYSLGJAVZOMJJX-QFBILLFUSA-N 365.410 4.040 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(F)c2)N1 587725867 SFOWSAGCOBGQEG-ZKANADHPSA-N 356.185 4.490 0 1 FIAF COc1cc(F)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587733668 RRCMRAPLYHGLLG-XYZCENFISA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)ncn3C)N1 587760572 YWZOCPNJNRIMFM-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF CC(=O)C[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587815077 XYCNIHUINFRMTR-DIFFPNOSSA-N 356.279 4.343 0 1 FIAF C[C@H]1CC(C)(C)C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587822271 JOIBFHAOVUEZKH-PISHQANHSA-N 368.290 4.343 0 1 FIAF CCC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 587835214 OEENZLOUFBVDLY-ZBEGNZNMSA-N 356.279 4.370 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncncc1Cl 587860990 IITGNALNDUKZNV-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF CC[C@H](C)c1ccc([C@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962933215 SQRQLGKXQVEABX-HJPURHCSSA-N 350.506 4.311 0 1 FIAF CC(=O)c1c(O)c2cc(Cl)cc(F)c2[nH]c1=Nc1ccc(F)cc1F 1857585970 GIYAZZARYGPTQH-UHFFFAOYSA-N 366.726 4.379 0 1 FIAF COc1ccc(CCNC(=O)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1857649240 RNHYGVWEGRPXJH-UHFFFAOYSA-N 374.440 4.044 0 1 FIAF Cc1ccc(CN2CCCN(C(=O)c3cc4ccccc4o3)CC2)c(C)c1 1911582679 NPKJCPIQHPJRBY-UHFFFAOYSA-N 362.473 4.398 0 1 FIAF CC=CCCCCCC=CC=CC(=O)OC[C@H](CO)OC(=O)C=C(C)C 2356449146 CKQLGVTXGIJASM-IBGZPJMESA-N 364.482 4.039 0 1 FIAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@@H](C)[C@@]12C 2356764849 QFRZIEHLMQVWOP-AZVDKKQPSA-N 360.450 4.138 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC=C3C(=O)OC[C@H]3[C@@]21C 2356805773 ZWZMTHHYZPZYFQ-IZULFBDQSA-N 360.494 4.280 0 1 FIAF Cn1cc(Cc2ccc(C(=O)NCc3ccccc3)cn2)c2ccccc21 61897358 UVRAEIAQZNFJCE-UHFFFAOYSA-N 355.441 4.094 0 3 FIAF CCN(CC)c1ccc(NC(=O)C2=C(C)C(=O)OC23CCCCC3)c(C)c1 6746395 NGAYIEQJRIERBS-UHFFFAOYSA-N 370.493 4.356 0 1 FIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(O[C@@H](C)C(=O)O)cc1 12358170 ZBKLXHAHCJHQOK-HNNXBMFYSA-N 367.401 4.123 0 1 FIAF Cc1ccc(C)c(-c2ccc(C(C)C)n2CC[C@@H]2C[C@@H](O)CC(=O)O2)c1 26830938 WEXBLGVLOVZWCC-QZTJIDSGSA-N 355.478 4.352 0 1 FIAF Nc1ncnc2c1c(-c1ccc3ccccc3c1)nn2Cc1ccccc1 64510309 KBISPTKNKNERJS-UHFFFAOYSA-N 351.413 4.277 0 1 FIAF CCC(=O)Nc1nc(-c2ccccc2OC)cc(-c2ccccc2OC)n1 66101796 AKAONMCOZSVUHM-UHFFFAOYSA-N 363.417 4.176 0 1 FIAF CN1[C@@H]2C[C@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1[C@@H](O)C2 101024588 IKLFPVAAXYPLEK-TXVWBRJLSA-N 357.881 4.042 0 1 FIAF OCC(CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 102187007 GJFCEMOCWVYDKT-OGWRENQUSA-N 364.570 4.405 0 1 FIAF O=C(Nc1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3C2)cc1)Nc1cccnc1 169692392 YTXZREDEJGAXCD-STQMWFEESA-N 374.400 4.068 0 1 FIAF c1cncc(-c2cc3c(-c4cccc(N5CCCCC5)n4)n[nH]c3cn2)c1 205247445 QQOLDSPBJKOAGB-UHFFFAOYSA-N 356.433 4.072 0 1 FIAF Oc1nc2cc3nc(-c4cc(Br)ccc4Cl)[nH]c3cc2[nH]1 586979859 DLXLTIMSEOYHEE-UHFFFAOYSA-N 363.602 4.228 0 1 FIAF Cc1c(-c2nc3c(ccc4ncccc43)[nH]2)sc2c1C(=O)N1CCC=C1N2 587028852 ALIUAQOKUWFTGZ-UHFFFAOYSA-N 373.441 4.261 0 1 FIAF Clc1ccnc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc12 587030146 ZPOBMEPJMRFYDY-UHFFFAOYSA-N 366.837 4.133 0 1 FIAF COC(=O)[C@@H]1c2nc3c(C)ccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O 587096171 ALKFHIHQNWJFBX-PXAZEXFGSA-N 357.409 4.203 0 1 FIAF Oc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587115956 HBKIPZIBHLHLIN-UHFFFAOYSA-N 358.117 4.112 0 1 FIAF Cc1cccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c12 587203335 LGUFDYTYDVRYGK-UHFFFAOYSA-N 350.422 4.388 0 1 FIAF CCCCOc1cc2nc(C3CCC(N)CC3)[nH]c2cc1Br 587256924 VLVGYEHRBCNHQU-UHFFFAOYSA-N 366.303 4.489 0 1 FIAF C[C@@]1(CN2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345934 QTGCVGMEUALHFK-UNMCSNQZSA-N 369.436 4.135 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(C)(C)C)cc(C=O)c1O)O2 587403904 NBTDFSHNFIEJBR-GOSISDBHSA-N 353.418 4.099 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cc1F)[C@@H](C2)C3=O 587421600 QFVBAODQYKLRSZ-SJCJKPOMSA-N 352.283 4.342 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1c(C)nn(-c4ccccc4)c1C)[C@@H](C2)C3=O 587432441 OSQALDDCKMRGAD-MBSDFSHPSA-N 374.440 4.161 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccccc3nc1C)CC2=O 587492049 WEDLWCFDCLCRFF-QFIPXVFZSA-N 362.429 4.477 0 1 FIAF Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587547442 SRAZVPXIPRKVLH-FXAWDEMLSA-N 367.788 4.331 0 1 FIAF Cc1cccc(OCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1C 587564449 RUSZLZWDMMRQJF-UHFFFAOYSA-N 356.735 4.173 0 1 FIAF CN1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587581064 FYSUEARZBJIKAF-NZQKXSOJSA-N 373.408 4.089 0 1 FIAF CC(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587590353 ZKQSVGGMSZIRRO-XLIONFOSSA-N 362.385 4.009 0 1 FIAF CC(C)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)no1 587793851 LVPYHYWHZIXHOJ-ABKXIKBNSA-N 353.235 4.323 0 1 FIAF Cc1nnc2ccc3c(cc(-c4cnc[nH]4)n3Cc3cccc(Cl)c3)n12 653721720 CAOFFYXVDJRZEG-UHFFFAOYSA-N 362.824 4.084 0 1 FIAF Cc1cc2c(cc1F)[C@@](c1ccc(OC(C)C)cc1)(c1ncco1)NCC2 962147533 PKAUPXMPLLFICO-QFIPXVFZSA-N 366.436 4.347 0 1 FIAF CCOC(=O)[C@@H]1CC[C@@H](c2ccccc2)[C@]12NCCc1cc(C)c(F)cc12 962374568 LFIPYOXZGIKHJC-YDHSSHFGSA-N 367.464 4.232 0 1 FIAF CC=C(/C=C/c1ccc(OC)c(N)c1)c1cc(OC)c(OC)c(OC)c1 1857743760 NOBWBSDVGPMGMB-OTQCZTGLSA-N 355.434 4.420 0 1 FIAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356533404 CUBPKSUGCMULEZ-IPVNADEISA-N 350.458 4.286 0 1 FIAF CC(=O)OC[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CCc1ccoc1 2356657988 ANGIGDFEXLRLRW-GWWHBBDRSA-N 372.461 4.071 0 1 FIAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@H](O)C[C@@H](C)[C@]12C 2356675327 QYNLGACHLVBTPP-UGGHSASASA-N 360.450 4.138 0 1 FIAF c1ccc(O[C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)nc1 2382219333 WUXQOEQYTXKHJH-IYARVYRRSA-N 360.461 4.256 0 1 FIAF CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(F)c2)cs1 1354449 WUIKWLBFQMFOOC-UHFFFAOYSA-N 353.422 4.194 0 3 FIAF COc1ccc([C@H]2C[C@](O)(c3ccccc3)Oc3cc(OC)ccc32)cc1 13661720 AAJXZKMGUIMSEV-FYYLOGMGSA-N 362.425 4.464 0 3 FIAF COc1cccc(NC(=O)[C@@]2(C)CCN2Cc2ccc(OC(C)C)cc2)c1 61895573 QUFCVSUVJITZNM-JOCHJYFZSA-N 368.477 4.086 0 3 FIAF CCc1nc2c(OCc3ccc(F)cc3)cccn2c1N(C)C(=O)C(C)C 61925631 YBEWLQYXRGDYIU-UHFFFAOYSA-N 369.440 4.234 0 3 FIAF CCn1c2ccccc2c2cc(NCc3coc4nc(N)nc(N)c34)ccc21 5848043 JKCQJYRGQDJDLA-UHFFFAOYSA-N 372.432 4.127 0 1 FIAF CCCNC(=O)O[C@@H]1C=C[C@H](c2c(C)nn(-c3ccccc3C)c2C)C1 8624231 LZKQBHFJUGANLT-ZWKOTPCHSA-N 353.466 4.346 0 1 FIAF biogenic CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 13302732 MVSNOMINTBGJOH-YUXAGFNASA-N 372.461 4.220 0 1 FIAF biogenic O=C(Nc1ccc(-c2cccc3c2CNC3=O)cc1)Nc1cccc(F)c1 14945205 ZIWRSRUJVKEMTR-UHFFFAOYSA-N 361.376 4.380 0 1 FIAF CN(CCCC(=O)c1ccc(F)cc1)CC[C@H](O)c1ccc(Cl)cc1 28522828 LUVUDOULHXQXHX-FQEVSTJZSA-N 363.860 4.498 0 1 FIAF CCCCN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1 29565500 NAMRXNPEKQJVQB-UHFFFAOYSA-N 363.509 4.156 0 1 FIAF CCN(C)c1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccccc2)n1 82134230 FTTBJLKFFOOZEV-UHFFFAOYSA-N 368.525 4.354 0 1 FIAF Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccccc2F)oc1C 82175556 KPJWRNGCPQLKGU-AWEZNQCLSA-N 368.412 4.145 0 1 FIAF CN(C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1)C1CCCCC1 82214664 ZRZMIBZENVUGJM-UHFFFAOYSA-N 364.493 4.149 0 1 FIAF CCOC(=O)Cc1ccc([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)cc1 89456700 VBKCUHAAVWDGKY-FQEVSTJZSA-N 368.864 4.162 0 1 FIAF O=c1c2ccccc2nc(-c2ccccc2)n1-c1nc2ccc(O)cc2s1 103203944 DKGQIKHZCMJLMC-UHFFFAOYSA-N 371.421 4.368 0 1 FIAF CO[C@@H]1CCC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201111278 LQIBQKJUPJGWMQ-ZSRQGECASA-N 371.521 4.038 0 1 FIAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3cccn3CC)cc2)C[C@H]2CC[C@H]1N2C 253693415 ZEBKVNWXQZNPAB-UGESXGAOSA-N 366.505 4.304 0 1 FIAF O=C(O)CCN1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1 263620721 LVUWGHOKMIGPFO-HXUWFJFHSA-N 354.837 4.244 0 1 FIAF in-vitro CCSc1nc(N)c2c(-c3cccn3C)c3c(nc2n1)[C@H](C)CCC3 299871081 XRPONTICGVGFJA-LLVKDONJSA-N 353.495 4.164 0 1 FIAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587061934 LQHXZIDJIXOMDK-OAHLLOKOSA-N 364.854 4.150 0 1 FIAF N[C@@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C1CC1 587255692 NGFMZMKINKQNEE-OAHLLOKOSA-N 374.366 4.244 0 1 FIAF C[C@@H]1CC2(C[C@@H](C)O1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587360458 VMTBKZQKAKEHQA-VLXJIEOASA-N 356.393 4.216 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587378535 UWRJABWWUHHEAQ-INIZCTEOSA-N 362.223 4.055 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCC3)c(F)c1)O2 587381841 LYRIUAXOSMVAOZ-OAQYLSRUSA-N 354.425 4.197 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1ccc(F)c(F)c1)O2 587385526 OPDPFYBEWOPDJO-HXUWFJFHSA-N 368.383 4.412 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](O)c1ccccc1)O2 587404439 QGYOCLMKIDRKIR-DHIUTWEWSA-N 359.425 4.172 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCOc4cc(Cl)ccc41)[C@@H](C2)C3=O 587421496 MSUBZEPWDJGJAL-YWZLYKJASA-N 356.805 4.164 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(OC(F)(F)F)c1F)[C@@H](C2)C3=O 587423292 UBDKWTZKWWZYHD-APPDUMDISA-N 368.282 4.222 0 1 FIAF COc1cc2c3c(c1)O[C@](c1cccc(C)c1)(c1ccccn1)[C@@H](C2)C3=O 587435763 JUFCGPHXVWDMGN-MBSDFSHPSA-N 357.409 4.090 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccccc4)nc1)[C@@H](C2)C3=O 587436444 RCQFBIBFVQODHK-JTSKRJEESA-N 359.381 4.371 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCC4)s1)[C@@H](C2)C3=O 587448682 BGFZGBAUAXBIEQ-VBKZILBWSA-N 355.459 4.236 0 1 FIAF CC[C@@]1(C)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2O1 587452098 DCZZFBGHEXDWRY-XGRCMKMKSA-N 350.414 4.289 0 1 FIAF O=C(O)c1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 587524739 LTSXVRJPCAPAHL-FQEVSTJZSA-N 361.397 4.451 0 1 FIAF NC(=O)c1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784589 SAJAXMONFCFDKW-KAMYIIQDSA-N 369.424 4.411 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3ncccc23)N1 587792438 HPHNXEXCVGSIFG-BTDLBPIBSA-N 372.241 4.155 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CCC2(C)C)N1 587817858 BILVTRVGIKFCJP-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(OC)c1C 587870970 WFFVXFIIEBWZBQ-UHFFFAOYSA-N 354.381 4.093 0 1 FIAF COc1cc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc2cn1 587928470 FWZIBPIEIWYMBO-UHFFFAOYSA-N 361.401 4.318 0 1 FIAF C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)N2[C@H](C)c2ccccc2)[C@@H]1C 618007441 UZUZYHUZSFVUQV-ABPFINBISA-N 356.510 4.070 0 1 FIAF C[C@]1(COc2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962693490 CMKHCOAMLHQRHH-KKSFZXQISA-N 357.494 4.484 0 1 FIAF COC(=O)[C@H]1CC(C)(C)C[C@@]12c1ccsc1CCN2Cc1ccco1 962714070 YDHIVMDGIUJCLV-OXQOHEQNSA-N 359.491 4.204 0 1 FIAF Fc1ccc([C@]2(c3cnccn3)NCCc3c(Cl)cc(Cl)cc32)cc1 963103735 GLKSRTSLDOWMRI-IBGZPJMESA-N 374.246 4.360 0 1 FIAF C[C@@H](NC(=O)N1C(=O)C[C@@H]1Sc1ccc(F)cc1F)c1ccccc1 1857553567 OKCBIQMGUWDPNS-DIFFPNOSSA-N 362.401 4.086 0 1 FIAF O=C(Nc1ccnn1C1CCN(C2CCCCC2)CC1)c1cccc(F)c1 11997336 OOQISIHQGQYXAO-UHFFFAOYSA-N 370.472 4.244 0 3 FIAF Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CCCCC1)CC(=O)N2 3660391 KNTVQSSEFOTYHS-JOCHJYFZSA-N 362.473 4.445 0 1 FIAF O=C1Nc2ccc(Cl)cc2[C@@](OCc2cccnc2)(C(F)(F)F)O1 5933512 QYUQDALGRRTKTL-AWEZNQCLSA-N 358.703 4.229 0 1 FIAF CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651095 IZUUAYYOAIIPNW-HSZRJFAPSA-N 371.480 4.420 0 1 FIAF CNCC[C@@H](Oc1cccc(I)c1)c1ccccc1 13730750 SUBJTCFXQZZZTM-MRXNPFEDSA-N 367.230 4.021 0 1 FIAF CO/C(O)=C1/C(C)=NC(C)=C(C(=O)OCCSc2ccccc2)[C@H]1C 19632953 DQLTVNNYTKSQMI-FRTIYWTKSA-N 361.463 4.123 0 1 FIAF Oc1ccc2[n+](c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2ccccc21 27190642 ZIZMWGCEYKQJEU-YADHBBJMSA-O 356.401 4.290 0 1 FIAF CC(C)c1nccn1Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 28760809 PNHFSBCFFKWFIE-UHFFFAOYSA-N 363.417 4.005 0 1 FIAF COc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc23)cc1 28959755 FEJHAAZUNGXWER-UHFFFAOYSA-N 370.412 4.148 0 1 FIAF CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2)OC1=O 40556709 SIOHICRSFQXKDX-FQEVSTJZSA-N 356.441 4.059 0 1 FIAF Cc1c(C2CCNCC2)ccnc1OCc1cccc(C(F)(F)F)c1 40938397 YECNKJKNQYEFGX-UHFFFAOYSA-N 350.384 4.455 0 1 FIAF COc1cc2c(cc1OC1CC1)C=C(/C=C/C(=O)N1CCCCC1)CC2 64503679 RJQFDXYTPGZMMC-UXBLZVDNSA-N 353.462 4.135 0 1 FIAF Cc1cccc2c(CC(=O)Nc3nc4ccc(F)cc4s3)cc(=O)oc12 71340952 DTLWPXPRPOPWRM-UHFFFAOYSA-N 368.389 4.031 0 1 FIAF Cc1cc([C@@H](C)Nc2cccc(CN3CC(C(=O)O)C3)c2)ccc1Cl 118392049 NHEYCGCCKUOVNF-CQSZACIVSA-N 358.869 4.338 0 1 FIAF Clc1ccc2nc(N3CC(c4nccnc4-c4ccccc4)C3)[nH]c2c1 140197997 QLHDYGNTNPWBNN-UHFFFAOYSA-N 361.836 4.277 0 1 FIAF Cc1cc(-c2ccnc3n[nH]c(C(F)(F)F)c23)cc(C2(CN)CCC2)c1 141820470 FDCMEPRGSNNHNX-UHFFFAOYSA-N 360.383 4.333 0 1 FIAF Cc1cc2c(NC(=O)N[C@H]3CC[C@@H](c4ncc(C)o4)C3)c(F)ccc2cn1 169704981 RLIYUKZFFNLZSO-HIFRSBDPSA-N 368.412 4.437 0 1 FIAF CC(C)=CCc1cc(/C=C2\OC(=O)C(c3cccc(O)c3)=C2O)ccc1O 238777880 GXKIMXZXFFLVQU-ODLFYWEKSA-N 364.397 4.474 0 1 FIAF Nc1cccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1C(=O)O 587248157 FZSWVKJQYWVEIJ-UHFFFAOYSA-N 371.702 4.062 0 1 FIAF Nc1c(-c2nc3ccc(Br)c(O)c3[nH]2)ccc2ccccc12 587254678 USDVYZUJBIRCHJ-UHFFFAOYSA-N 354.207 4.433 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1sc(C(C)(C)C)cc1N)[C@@H](C2)C3=O 587449708 CIAHAYLWYUEVFQ-FKIZINRSSA-N 357.475 4.299 0 1 FIAF N=c1ncc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587512408 XJNXWXUIGUXLIL-OAQYLSRUSA-N 371.440 4.141 0 1 FIAF COC(=O)[C@@H](C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522788 HSTUFZHXDNKUHU-IQMFZBJNSA-N 364.441 4.235 0 1 FIAF CCOC(=O)c1csc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587536644 YHPOZOHMZZPLGQ-HXUWFJFHSA-N 371.458 4.079 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1F 587554420 DGGQYGRNVRBYFN-FXAWDEMLSA-N 354.308 4.373 0 1 FIAF CNc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576249 GEWOTBJJBRHQHO-SIKLNZKXSA-N 361.397 4.311 0 1 FIAF CC(C)(CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O 587601656 FBZYURIVPHTJFO-IERDGZPVSA-N 370.401 4.004 0 1 FIAF Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1C 587609388 BTRRPPDFPWDWKG-OXQOHEQNSA-N 367.426 4.343 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(F)c(F)c2)N1 587715113 HCMLCSPSAWGIOW-QZTNRIJFSA-N 372.184 4.196 0 1 FIAF Cc1ccc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587775106 ZBQXGMPFFWQJFR-KZULUSFZSA-N 363.274 4.500 0 1 FIAF CCCCCC[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587826818 JJPPPAZAWVSBHU-DIFFPNOSSA-N 372.278 4.373 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC23CCOCC3)N1 587836109 RRNSHIUSIWIICX-XIKOKIGWSA-N 368.290 4.298 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2N)N1 587841316 AOKARWMMYORRGN-ANRSDYALSA-N 355.276 4.030 0 1 FIAF Cn1cc(-c2ccc(-c3cncc4ccc(-c5nccn5C)nc34)cc2)cn1 653829408 WJORYPIALAWPKB-UHFFFAOYSA-N 366.428 4.098 0 1 FIAF CCOC(=O)c1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)nc1 962671225 TUHPTXIMAHZTCT-JOCHJYFZSA-N 358.441 4.160 0 1 FIAF CCC[C@@H](CC(=O)CC(=O)CCc1ccc(O)c(OC)c1)c1cc[nH]c1 2356354549 LZRZCSCCJDXJMZ-INIZCTEOSA-N 357.450 4.164 0 1 FIAF CC(=O)OCC=C(C)CC[C@H]1OC(=O)C(CCC=C(C)C)=CC[C@@]1(C)O 2356668093 CZYBEMYHXJMNRC-TZIWHRDSSA-N 364.482 4.015 0 1 FIAF Cc1cn2c(-c3ccccc3)c(-c3ccc(S(C)(=O)=O)cc3)nc2s1 3814815 LHHQTSWMKWHJJH-UHFFFAOYSA-N 368.483 4.442 0 1 FIAF CC(C)C[C@H]1[C@@H](OCc2ccccc2)CO[S@](=O)N1Cc1ccccc1 5840976 UPNNHCINTOBUBN-ISJBWFOZSA-N 373.518 4.098 0 1 FIAF Cc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1 40874682 QWIFCKKBFJGTGR-UHFFFAOYSA-N 367.493 4.413 0 1 FIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CCN=N1)C3=O 45384258 YOFJJYUGTDOFHI-RZRUPAALSA-N 372.509 4.346 0 1 FIAF CC(C)(C)c1cc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(C(C)(C)C)c1 64513872 YLLRVWDINXMUMJ-XDNAFOTISA-N 373.493 4.098 0 1 FIAF CCS(=O)(=O)c1ccc2[nH]c(Oc3ccccc3C(F)(F)F)nc2c1 95597332 VXACJUHDEFTVKQ-UHFFFAOYSA-N 370.352 4.168 0 1 FIAF CC(=O)O[C@H]1C[C@H](C)[C@H]2C[C@H]2C2=C(COC2=O)[C@H]1[C@H](C)CCC=C(C)C 101626042 OGYMASQTERCZQQ-BSISXJFESA-N 360.494 4.446 0 1 FIAF Fc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)c(F)c1 101964630 RCWJZRSEGPKRNS-OAHLLOKOSA-N 362.742 4.405 0 1 FIAF O=c1c2c[nH]c3ccc(Cl)cc3c-2nn1-c1nc2ccccc2s1 102842828 AALWHSYWTBCMAQ-UHFFFAOYSA-N 352.806 4.082 0 1 FIAF COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)ccc1O 104070682 DPBPPEWUJSYTRP-LJQANCHMSA-N 371.433 4.161 0 1 FIAF Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc21 223455538 GMKUXLCFJXBODY-UHFFFAOYSA-N 371.440 4.181 0 1 FIAF COc1cc([C@@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)cc2c1OCO2 238751976 WMPUHRROBOWDAU-XAAFQQQXSA-N 354.402 4.113 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccccc3OC)cc2)C[C@H]2CC[C@H]1N2C 253695633 CCWOTPZOCKHRAQ-RQGSJKACSA-N 365.473 4.102 0 1 FIAF CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(C)c1 299863772 LKUYGWPUCZQCSW-ZJBJCVSYSA-N 369.505 4.373 0 1 FIAF O=C(O)/C=C/c1ccccc1-c1nc2cc(Br)cc(F)c2[nH]1 586879368 LUZKGLVTHSXUBW-AATRIKPKSA-N 361.170 4.229 0 1 FIAF Cc1nc(-c2c[nH]cc2-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cs1 587022106 VMURXQXLZJMFFT-UHFFFAOYSA-N 364.409 4.315 0 1 FIAF FC(F)(F)C(F)(F)c1cc2nc(-c3cnc(Cl)s3)[nH]c2cn1 587022942 GKLPXOJLDOWZIW-UHFFFAOYSA-N 354.691 4.389 0 1 FIAF COC(=O)c1cc2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c2cc1OC 587034128 PHJDUJFSPKUNJG-SNVBAGLBSA-N 356.447 4.211 0 1 FIAF N[C@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@@H]1c1ccccc1F 587154739 GHAKHVQRDLREBD-QLJPJBMISA-N 353.294 4.201 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(Cl)cnc2[nH]1)C1CCCC1 587225846 NBXORWQCZWXTEV-ZDUSSCGKSA-N 350.850 4.367 0 1 FIAF COc1ccccc1-c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 587415125 XHUNPWATJPMSAM-GOSISDBHSA-N 366.442 4.416 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C=O)cn4)cc1)[C@@H](C2)C3=O 587437007 XBZMCDZGYPZYAF-FDDCHVKYSA-N 371.392 4.058 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(F)(F)F)n1)CC2=O 587464205 LDCOOYLWDVOAJD-HNNXBMFYSA-N 351.324 4.465 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(C1(C(=O)OCC)CCCC1)CC2=O 587482428 NXBAHWVJNJBWFH-HXUWFJFHSA-N 360.450 4.192 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3cc(C)ccn13)CC2=O 587490092 OLDJLFPIRHTODH-GOSISDBHSA-N 350.418 4.316 0 1 FIAF O=C1C[C@@](c2ccc(F)cc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587510780 WLHOCRZEEOQHRY-JOCHJYFZSA-N 362.404 4.337 0 1 FIAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1-n1cncn1 587517851 WGUIAQVEVPGZIT-NRFANRHFSA-N 359.429 4.161 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccccc1F 587569622 RMCZFYXIRFUMCJ-UYAOXDASSA-N 364.372 4.494 0 1 FIAF CCOC1=C(C)[C@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599593 YAPDLNBFCMLCNA-NQIIRXRSSA-N 352.386 4.197 0 1 FIAF CCCCCc1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)N[C@@H]1CCOC1=O 587641978 IPMFWCKMNARHOJ-AUUYWEPGSA-N 370.493 4.459 0 1 FIAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)s1 587650277 QWDCTBRQOYNPHI-UHFFFAOYSA-N 369.414 4.056 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(F)c2)N1 587724395 HPTKTVZJKXGJOG-XYZCENFISA-N 368.221 4.231 0 1 FIAF CCC[C@H](O)[C@]1(CCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587828778 VGFNDIFHKWCQQG-ZTFRIQLXSA-N 358.295 4.279 0 1 FIAF Cc1cc(O)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587833421 NJBZJLUTEAZDPW-BTDLBPIBSA-N 350.231 4.226 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2C=O)N1 587847002 VVLSLXVVYRFGKI-ANRSDYALSA-N 354.244 4.086 0 1 FIAF O=C(O)CC[C@@]1(c2ccc3c(c2)CCCC3)NCCc2cccc(Cl)c21 963392043 XKPNMFQTBVQPIU-QFIPXVFZSA-N 369.892 4.473 0 1 FIAF Cc1ccc(NC(=S)N2CCN(C(=O)CC3CCCCC3)C[C@H]2C)cc1 1857615018 IMQVXYHGTRZLKF-QGZVFWFLSA-N 373.566 4.195 0 1 FIAF C=CC(=CC(=COC)OC)[C@@H](O)[C@H](C)Oc1ccc(C=CC)cc1OC 2356474966 KZJSYJDWHQFBFZ-BTYIYWSLSA-N 360.450 4.103 0 1 FIAF C[C@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1 2382248914 YFQRFEAYDFPJMW-DYESRHJHSA-N 358.441 4.117 0 1 FIAF CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1 2382252150 SWUPMWHUANBXPB-UHFFFAOYSA-N 350.506 4.384 0 1 FIAF COCc1cccc(-c2csc([C@](C)(O)c3ccc(OC)cc3)n2)c1 61904446 QOQCRNSZNFPIIG-HXUWFJFHSA-N 355.459 4.221 0 3 FIAF CC(=O)c1cccc(NC(=O)[C@]2(C)Cc3c(-c4ccccc4)ccnc3O2)c1 61907794 ZYYYITDRTUCYHY-QHCPKHFHSA-N 372.424 4.284 0 3 FIAF O=C1c2c(O)cccc2C(C(=O)CCCc2ccccc2)c2cccc(O)c21 598732 UWZNSGPUHCLRMJ-UHFFFAOYSA-N 372.420 4.366 0 1 FIAF O=C(NC1CCCCC1)c1ccc2c(c1)NC(=O)c1ccccc1S2 3032928 WNPAGKHJTUMNAV-UHFFFAOYSA-N 352.459 4.466 0 1 FIAF O=C(c1cccc(F)c1)N1CCC2(CCCN(c3ccccc3)C2)CC1 3955821 VPMFQDNKZGCWGQ-UHFFFAOYSA-N 352.453 4.349 0 1 FIAF COc1ccc2c(c1)[C@H](CN(C)CCc1ccc3c(c1)OCO3)CCC2 13761393 YXHGDLXUJHNIIO-SFHVURJKSA-N 353.462 4.018 0 1 FIAF O=C1[C@H]2c3[nH]c4ccccc4c3[C@H]3CCC[C@H]3[C@H]2C(=O)N1c1ccccc1 17192246 MJDPELULEMYNCS-KQEPKPNTSA-N 356.425 4.338 0 1 FIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3CCC3)CN(C)[C@@H]1C2 27518932 BQSCTKYJXPGTLS-LKUPVBHCSA-N 366.505 4.278 0 1 FIAF CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@@]12CCCN2C 28255362 HUFBLXFPRKMQOF-FUHWJXTLSA-N 354.416 4.184 0 1 FIAF COc1ccc(NC(=O)c2cc(N)ccc2Oc2ccc(OC)cc2)cc1 28351339 UXHLVIUONDZDIR-UHFFFAOYSA-N 364.401 4.331 0 1 FIAF Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccccc3[nH]2)cc1 29037215 XDBOAFOJZRJJBV-UHFFFAOYSA-N 357.417 4.010 0 1 FIAF COc1cccc(-c2ccc(C(=O)N(C)Cc3cccc(O)c3)s2)c1 73170114 BNKINIGCOVZHAG-UHFFFAOYSA-N 353.443 4.402 0 1 FIAF CNC(=O)[C@@H](OC)c1cccc(COc2ccc(Cl)cc2Cl)c1 103199572 YSNSENDHRVQNAV-INIZCTEOSA-N 354.233 4.006 0 1 FIAF Cc1ccncc1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1 205653540 LZNPISMSQMHQPS-UHFFFAOYSA-N 371.415 4.434 0 1 FIAF CCCC(=O)c1c(O)c(C=O)c2c(c1O)C[C@H]1C[C@H](C(C)C)C=C[C@@]1(C)O2 238789775 PQFNMBGRBKEIGP-XDEPDNQISA-N 372.461 4.435 0 1 FIAF C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)C1CC1)c1ccnc2ccccc12 299872800 LZEIKPVKWHAHNK-LSHXESDTSA-N 362.473 4.126 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586884804 IYRLTRDVYGWGFK-VBKZILBWSA-N 352.821 4.374 0 1 FIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)cc(F)c2[nH]1 586973098 NOTLEEUEDXJOCR-QGZVFWFLSA-N 357.454 4.121 0 1 FIAF CC(C)Oc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586997688 QOBMHDRXGDJIFT-MRXNPFEDSA-N 361.239 4.194 0 1 FIAF CNc1cc(Cl)ccc1-c1nc2c(C)c(Br)cnc2[nH]1 587066410 BKOZVQBZPNAOBD-UHFFFAOYSA-N 351.635 4.391 0 1 FIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587067536 GEBZCEIEEQVBQI-LLVKDONJSA-N 364.854 4.068 0 1 FIAF Nc1cccc(C(=O)O)c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587249829 KKVROYWPCONODI-UHFFFAOYSA-N 359.385 4.089 0 1 FIAF O=C1C[C@@H]2CC3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 587348564 DLLIAGYDQHUJBZ-ARGWCVDVSA-N 366.388 4.018 0 1 FIAF CCc1ccc([C@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587395356 QESYOTLVLJCUGC-QHCPKHFHSA-N 358.441 4.444 0 1 FIAF CCOc1cc2c(c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@@H](C)C2 587411870 LGBHRETYCZWMLN-BUXKBTBVSA-N 353.418 4.006 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(C)c(Br)c1)[C@@H](C2)C3=O 587414904 YJRHDZQTJMZRIQ-SCLBCKFNSA-N 359.219 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4cccnc4)c1)[C@@H](C2)C3=O 587435602 HKLAEOZRUBESNV-WMZHIEFXSA-N 373.408 4.158 0 1 FIAF O=C1C[C@](c2ccncc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587515111 LAXVFINKAMHGSE-QHCPKHFHSA-N 356.425 4.264 0 1 FIAF Cc1cc2c(cc1C)[C@@]1(CC(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587529539 BIKVTIIBIVGKGK-QHCPKHFHSA-N 362.425 4.352 0 1 FIAF O=C1C[C@@](c2ccco2)([C@H](O)c2ccco2)Oc2c1ccc1c2CCCC1 587534797 YSPGGRISVHGIAL-FGZHOGPDSA-N 364.397 4.346 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(O)cc1F 587557166 MCNJSPUDQQGQPJ-YLJYHZDGSA-N 370.307 4.079 0 1 FIAF C[C@@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592343 YBLLSYWZRUMNEI-GCJKJVERSA-N 372.380 4.146 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccc(O)cc12 587608282 KUJMLZFQSCWARZ-NZQKXSOJSA-N 374.392 4.291 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(F)c2)N1 587724621 KJHSTIUZSFUVRH-PWJLMRLQSA-N 354.194 4.057 0 1 FIAF CC(C)[C@@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587742823 UDPANTXVANCADU-YVXSGHQCSA-N 355.295 4.049 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nc[nH]c23)N1 587808511 ZLTPJJMXHQJTBD-JDNHERCYSA-N 360.230 4.088 0 1 FIAF O=C([C@H]1Cc2ccccc2[C@](CC2CC2)(c2ccccc2)N1)C(F)(F)F 962732091 WPFPSMXLSJLYII-QUCCMNQESA-N 359.391 4.376 0 1 FIAF Cc1sc2c(c1C)CCN[C@@H]2c1ccccc1OCCN1CCCCC1 963014999 WJHFNZKVWOTQAD-OAQYLSRUSA-N 370.562 4.465 0 1 FIAF Cc1cc(C)cc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 1857580011 YNFLDFOKBAVMKP-XMMPIXPASA-N 369.468 4.210 0 1 FIAF CC(C)=CCc1ccc([C@@H]2C(=O)O[C@@H](Cc3ccc(O)cc3)[C@@H]2C)cc1O 2356474132 DKONIHYALJLLSF-UZQPLGKSSA-N 366.457 4.494 0 1 FIAF OCc1cc(Br)c(-c2ccc(O)cc2)c(Br)c1 1487154 XBHSQAQZOYEHHQ-UHFFFAOYSA-N 358.029 4.077 0 1 FIAF CCOC(=O)/C(Br)=C1\OC(=O)c2ccccc2-c2ccccc21 1630949 GGNIZPFKTFTVDL-FOCLMDBBSA-N 373.202 4.151 0 1 FIAF CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccc(Cl)cc1 13494159 XXXKKZBZKUDKMA-UHFFFAOYSA-N 356.853 4.378 0 1 FIAF in-vitro O=c1ccoc2cc(OCCCN3CCC(c4ccccc4)CC3)ccc12 13860934 OZGHXNXNRIMNFP-UHFFFAOYSA-N 363.457 4.442 0 1 FIAF CCOC(=O)[C@@H](Cc1ccccc1)Nc1nc2cc(CC)ccc2s1 28011072 XVQVFRLTXRRTBB-QGZVFWFLSA-N 354.475 4.445 0 1 FIAF CCCCCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1 66058767 JTQATWGVTYJOFY-UHFFFAOYSA-N 351.494 4.150 0 1 FIAF COc1ccccc1Oc1cncc(NC[C@]2(C)C[C@@H](O)CC(C)(C)C2)n1 82068872 SGQQZFQEFWCAAE-YCRPNKLZSA-N 371.481 4.267 0 1 FIAF O=C(O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1 87613210 BLFRZPJRKJLHGU-UHFFFAOYSA-N 358.760 4.455 0 1 FIAF in-vitro COc1ccc(Oc2c(Cl)cnn(Cc3cc(C)cc(C)c3)c2=O)cc1 95597116 RFASUBGLIKEBIA-UHFFFAOYSA-N 370.836 4.363 0 1 FIAF Cn1cc(C(=O)N2CCC[C@H]3c4cccc(O)c4CC[C@@H]32)c2ccccc21 96169342 SASQKHSTARPTCJ-KKSFZXQISA-N 360.457 4.219 0 1 FIAF O=C1O/C(=C\c2ccc(OCCc3ccccn3)cc2)C(Cl)=C1Cl 103231871 ABANBEMMKJDTOF-PTNGSMBKSA-N 362.212 4.290 0 1 FIAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1ccc2ccccc2n1 167719218 GZFRFSACPUEMRQ-GOSISDBHSA-N 362.429 4.116 0 1 FIAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@@H]2CC[C@@H]1N2C 169359114 HIFPRIPRHSYXGH-WOZUAGRISA-N 366.505 4.130 0 1 FIAF C[Si](C)(C)CC[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 196164110 ILZGNXHKHPNNKA-HNNXBMFYSA-N 358.345 4.201 0 1 FIAF CCc1cnc(-n2nc(OC(C)C)c(Cc3ccc(F)cc3)c2C)nc1 299856433 BXBPCNZIMLHZHJ-UHFFFAOYSA-N 354.429 4.050 0 1 FIAF NC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccccc1 299871649 YZNFQZMFJZGPRM-UHFFFAOYSA-N 353.472 4.323 0 1 FIAF COc1cc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2cc1Cl 587020516 ARPIWDXSMXUBCZ-UHFFFAOYSA-N 356.838 4.428 0 1 FIAF COC(=O)c1ccc2nc(-c3cc(F)c(C)cc3Br)[nH]c2c1 587137675 FMAHRDJAMDEMNE-UHFFFAOYSA-N 363.186 4.227 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3cc(C)c(Br)cc3[nH]2)c1 587242792 RTMXAGNKMDEGRI-UHFFFAOYSA-N 358.239 4.183 0 1 FIAF CC[C@@H]1CCC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349784 CRSBSADWRUZXMU-WHIIXXIBSA-N 354.377 4.018 0 1 FIAF COc1ccc2nc(Cl)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c1 587379613 JQBFUSNYCQAQSW-GOSISDBHSA-N 368.820 4.494 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccsc1)([C@H](O)c1ccsc1)O2 587412565 JCSDVWKKRLVYPO-RTBURBONSA-N 371.483 4.295 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1OC(F)(F)F)[C@@H](C2)C3=O 587423263 SQVPHSIAVZHADH-SCLBCKFNSA-N 364.319 4.257 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1Cl 587551747 JFBJUGRJCPIACL-APWZRJJASA-N 353.761 4.144 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(F)cc1O 587559604 XVCUYHSVFHOVED-FXAWDEMLSA-N 370.307 4.079 0 1 FIAF C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566926 CDDMVXLKUIXWPF-RXVVDRJESA-N 350.345 4.408 0 1 FIAF CN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587581066 FYSUEARZBJIKAF-OFNKIYASSA-N 373.408 4.089 0 1 FIAF COc1ccc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587720668 TVOQYGWGGCQKQM-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF Cc1ccc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587771546 MGEBJFWKVKMHNA-WBMJQRKESA-N 363.274 4.500 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(O)cc32)N1 587834042 QJTKYXOGRBNBQM-MGNBDDOMSA-N 362.242 4.018 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(O)cccc32)N1 587835199 VOLPYUWTBMXKII-XTZNXHDOSA-N 362.242 4.018 0 1 FIAF COc1ccccc1O[C@@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873999 RTYVYFMJUAMGPA-NSHDSACASA-N 354.337 3.911 0 1 FIAF COc1ccc(/C=C/Cc2nc3cc(OC)c(Cl)cc3[nH]2)c(OC)c1 587928716 HUMKLIVXWHGGTK-SNAWJCMRSA-N 358.825 4.498 0 1 FIAF CCOC(=O)CC[C@]1(c2ccccc2C)NCCc2c1sc(C)c2C 963009199 KTHFTQUSKPPPQO-OAQYLSRUSA-N 357.519 4.406 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]2(c1ccsc1N)C(C)(C)C 963269067 FCRHGGFTYKDSJL-SFHVURJKSA-N 350.915 4.428 0 1 FIAF N=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC=Cc1ccccc1 1857590966 NOIOXZRWUVPEHK-UHFFFAOYSA-N 367.452 4.010 0 1 FIAF CCCC=CC=CC=CCCCOC[C@@H](CO)OC(=O)c1ccc(O)cc1 2356715345 HDFSCPGSKMWCOJ-OAQYLSRUSA-N 374.477 4.175 0 1 FIAF O=S(=O)(c1ccccc1)N1CCCc2nc(-c3ccc(F)cc3)ccc21 199725623 BWCAMSAGFASSRF-UHFFFAOYSA-N 368.433 4.029 0 3 FIAF CC/C=C/CO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O 13642004 FHQCBTSYENFAFR-BDUNBXCCSA-N 364.854 4.239 0 1 FIAF O=C1c2ccccc2N2O[C@]3(N4CCCC4)CCC[C@@H]3[C@]12c1ccccc1 17218614 QXRMPRQQGNQQQF-MDNUFGMLSA-N 360.457 4.122 0 1 FIAF O=C(N[C@@H]1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 26500579 VOJBNFJZPAQMQW-JOFGVTMCSA-N 366.549 4.026 0 1 FIAF Cc1cccc(C(=O)NC(C)C)c1NC(=O)c1ccc(C(F)(F)F)cc1 28528360 FSNXKBQIBXBYBO-UHFFFAOYSA-N 364.367 4.404 0 1 FIAF COc1ccccc1Nc1nccc(Nc2c(Cl)ccc3c2OCO3)n1 29043675 HCSXSWQRQHNATE-UHFFFAOYSA-N 370.796 4.355 0 1 FIAF CC1(C)SC(c2cc(Cl)ccc2N)=NN1C(=O)C1CCCCC1 73274421 HEZNFGMLVSDYNB-UHFFFAOYSA-N 351.903 4.476 0 1 FIAF C[C@H]1CC[C@@H]2[C@H]1[C@H](C1=CCCC1)OC(=O)[C@H]2[C@H]1OC(=O)C[C@H]2CC[C@H](C)[C@@H]12 96910209 PNQRQHZSONLAAC-ZWBJBSEQSA-N 372.505 4.278 0 1 FIAF Cn1c(C23CC4CC(CC(C4)C2)C3)nn(CNc2ccccc2)c1=S 96937742 YUFWZHXNFZLPLZ-UHFFFAOYSA-N 354.523 4.488 0 1 FIAF O=C(Nc1cccc(C(=O)O)c1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 101072848 MNUZWCBQSLHITB-RZDIXWSQSA-N 372.396 4.036 0 1 FIAF O=C1N(c2ccccc2)c2[nH]c(=S)sc(=O)c2[C@H]2CCCCCN12 103152765 RSVDQXLWQIRYGK-GFCCVEGCSA-N 359.476 4.355 0 1 FIAF Cc1ccc(C(N)=O)cc1-c1nncc2nc(Oc3ccc(F)cc3)ccc12 138255254 DZIGXCDENKQNHR-UHFFFAOYSA-N 374.375 4.031 0 1 FIAF CC1(C)OC(=O)N(c2ccc(-c3cnc(N)nc3)cc2)[C@H]1c1ccccc1 147100735 QHNVELCIHIKOKG-SFHVURJKSA-N 360.417 4.202 0 1 FIAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccc(Cl)c1Cl 253704893 QJUURDMOAUOHOG-BXUPJJHFSA-N 352.261 4.033 0 1 FIAF O=C(c1cccc(F)c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 299867537 QFWCYWASQLRABX-UHFFFAOYSA-N 372.443 4.354 0 1 FIAF Cc1ccc2c(ccc3nc(C4(c5ccc(O)cc5)CCOCC4)[nH]c32)n1 586912629 FEZMLDJQVNZFTO-UHFFFAOYSA-N 359.429 4.222 0 1 FIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(C)c3[nH]2)cc1 587041574 YOZGHMMJFYJJFT-KRWDZBQOSA-N 367.474 4.158 0 1 FIAF OC1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCC(C(F)(F)F)CC1 587127251 USVQZWSSDHLDBQ-UHFFFAOYSA-N 354.159 4.205 0 1 FIAF Cc1cc(Cl)cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587133157 YUGOBZTYQJHUSV-NSHDSACASA-N 371.815 4.494 0 1 FIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccnc(O)c3[nH]2)c(F)c1 587145060 SSWJESZROOIOHO-UHFFFAOYSA-N 363.348 4.143 0 1 FIAF N=c1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c2ccccc2[nH]1 587253439 ILWHVTYRLDXWIT-UHFFFAOYSA-N 374.629 4.002 0 1 FIAF CCCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587442028 NWPNRTWMSPQXSN-IIBYNOLFSA-N 354.402 4.068 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCOc4c1ccc(C)c4C)[C@@H](C2)C3=O 587450198 DWVGGJLWVBZCOI-HTAPYJJXSA-N 350.414 4.128 0 1 FIAF O=C1C[C@H](c2ccn(CC(F)(F)F)n2)Oc2c1ccc1c2CCCC1 587499867 NKZLBOHMAJQCMA-MRXNPFEDSA-N 350.340 4.031 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(Cl)c1 587551607 HMEPLUWZGXMTOD-QFBILLFUSA-N 353.761 4.144 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(F)cc1 587570954 MXEAQOBZZPJAKJ-QUCCMNQESA-N 364.372 4.494 0 1 FIAF CCn1cc(Cl)c(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)OC)n1 587628228 JKRQJICQSZGMPQ-UHFFFAOYSA-N 356.184 4.284 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccn2)N1 587700113 LRLFHLBTYYTWDO-VXJOIVPMSA-N 355.638 4.260 0 1 FIAF FC(F)(F)c1cc2nc(CCOCC3CC3)[nH]c2cc1Br 587784966 WUXWMKGXAZPFGQ-UHFFFAOYSA-N 363.177 4.313 0 1 FIAF COCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587801518 LHASZCTYYPUTNX-BBATYDOGSA-N 364.258 4.358 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](C3CC3)C2)N1 587819213 UFJZBDBEDIGZSA-LNSDYSHSSA-N 366.274 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCCC(=O)O)N1 587828700 PMPHFMWNVSNJBN-DIFFPNOSSA-N 372.278 4.373 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3ccccc32)N1 587841072 LWMUASGRJNEVPJ-ZMZPIMSZSA-N 360.226 4.272 0 1 FIAF Cc1ccc(-c2csc(/C(=C\c3ccccc3O)C(N)=O)n2)cc1C 587921470 ZSHOBZQHRKOBCD-YBEGLDIGSA-N 350.443 4.158 0 1 FIAF Cn1cccc1CN1CCc2sccc2[C@@]12CCNc1c(F)cccc12 962377595 XEZZGARFWHNAHU-OAQYLSRUSA-N 367.493 4.343 0 1 FIAF C[C@]1(c2ccns2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962948432 AWVLAPDKVPJAHY-MRXNPFEDSA-N 368.424 4.077 0 1 FIAF O=Cc1ccccc1Oc1ccc([C@@H]2NCCc3nc4ccccn4c32)cc1 962983203 BDUSZSOFXYIDSO-QFIPXVFZSA-N 369.424 4.174 0 1 FIAF CCCCC[C@@]1(c2ncco2)NCCc2cnc3c(OC)cccc3c21 963046965 NHOQHYDUZMKCOT-OAQYLSRUSA-N 351.450 4.201 0 1 FIAF CC[C@@]1(c2ccc3c(c2)OCO3)c2cccc(Br)c2CCN1C 963289964 SJGGYTQNQXCYJC-LJQANCHMSA-N 374.278 4.319 0 1 FIAF CC(C)Cc1nn(-c2cccc(F)c2)cc1C(=O)NCc1ccc(F)cc1 1772622241 UXQULLLPXFAKLH-UHFFFAOYSA-N 369.415 4.279 0 1 FIAF COc1ccc(C(=O)Nc2cnc(O)c(-c3cc(C)ccc3C)c2)c(O)c1 1857749327 USDUYARLNVSARB-UHFFFAOYSA-N 364.401 4.038 0 1 FIAF CC(C)NC(=O)c1c(NC(=O)c2ccccc2O)sc2c1CCCCC2 1857761095 CGYKAODLIUJULT-UHFFFAOYSA-N 372.490 4.113 0 1 FIAF c1ccc(N2CCN(CCCCOc3ccc4ccccc4c3)CC2)nc1 1857768601 YSAHWAJLSPVZJS-UHFFFAOYSA-N 361.489 4.216 0 1 FIAF COc1ccc2cc(C(=O)N=c3ccn(Cc4ccccc4)cc3)ccc2c1 2382225110 ZOLYIWBASJVEKE-UHFFFAOYSA-N 368.436 4.439 0 1 FIAF c1ccc(Cc2ccccc2OCCN2CCN(c3ccccc3)CC2)cc1 13581630 NVQDXWHJCOYHFG-UHFFFAOYSA-N 372.512 4.478 0 1 FIAF CCOc1cc([C@H]2c3c(C)n[nH]c3N=C3CC(C)(C)CC(=O)[C@@H]32)ccc1O 13597166 OSLSYBUAWWVOKT-RBUKOAKNSA-N 367.449 4.046 0 1 FIAF Cc1noc(CSC[C@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)n1 28466049 ZDFZEYIOEFWTFE-ZBFHGGJFSA-N 351.903 4.000 0 1 FIAF Oc1ccccc1Oc1c(O)cc(Br)cc1Br 35274609 KKHRUQUPKQDOGF-UHFFFAOYSA-N 360.001 4.415 0 1 FIAF CCN(CC)C[C@@H]1CCCN1C(=O)c1cc2cc(C(F)(F)F)ccc2o1 36188014 MIAZGPSVWPDYPX-HNNXBMFYSA-N 368.399 4.398 0 1 FIAF OC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1 40829277 HHJAPVOVRQGCFN-UHFFFAOYSA-N 354.475 4.088 0 1 FIAF CCO[C@@H](c1ccc(Cl)cc1)[C@@H](n1ccnc1)S(=O)(=O)C(C)(C)C 45365841 LEBRSRSANYGCEZ-HOTGVXAUSA-N 370.902 4.026 0 1 FIAF COC(=O)C[C@H]1c2ccccc2N=C(N2CCCCC2)N1C1CCCCC1 49871972 OAFNDNLOUAXQMP-FQEVSTJZSA-N 369.509 4.413 0 1 FIAF Cc1nccn1CCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 72179064 IFDJIUKSOXJDPW-OAHLLOKOSA-N 352.409 4.345 0 1 FIAF COc1ccc(-c2ccc3c(c2)CCc2[nH]n(-c4ccccn4)c(=O)c2-3)cc1 73222320 PFWMSQFEFQKBIZ-UHFFFAOYSA-N 369.424 4.002 0 1 FIAF Clc1ccc([C@@H](CNCc2ccccc2)Cn2cncn2)c(Cl)c1 103174843 BJSDUMXLGOEJOO-HNNXBMFYSA-N 361.276 4.159 0 1 FIAF Cn1s/c(=N/C(=O)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 103181467 AJPKFFBXYSBIHR-CAPFRKAQSA-N 364.257 4.197 0 1 FIAF O=C(CCCN1CCC(n2cnc3ccccc32)CC1)c1ccc(F)cc1 169346461 XZINRAVTECMBEL-UHFFFAOYSA-N 365.452 4.475 0 1 FIAF COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CO 238771279 MMJMGOIGFQALOP-RKFFNLMFSA-N 350.499 4.012 0 1 FIAF O[C@H]1C[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2ccccc21 586901207 GCJDHOPWNIWAHJ-GWCFXTLKSA-N 369.293 4.181 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 586918584 ZBLZZHCWGRGZMD-JEOXALJRSA-N 360.335 4.197 0 1 FIAF O=C(O)c1coc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586991062 KVVDUIQFCRFBIB-UHFFFAOYSA-N 357.321 4.110 0 1 FIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587149085 CPWCUKRAPPNGSK-SSDOTTSWSA-N 354.259 4.303 0 1 FIAF Fc1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)nc1Br 587155320 KDIRHLQCSBZPNW-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF CC(C)N(C)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332218 CQJXEPFXMAEMTK-IRLDBZIGSA-N 371.452 4.379 0 1 FIAF CC(=O)[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352870 JZSOZYKIAKVGLC-CTNGQTDRSA-N 356.393 4.264 0 1 FIAF C[C@@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376568 POTFFHXXEMFHJY-VQIMIIECSA-N 355.390 4.262 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)nc1C)O2 587383932 XQEPTSXZRMRBAK-QGZVFWFLSA-N 350.340 4.180 0 1 FIAF CCc1ccc([C@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587437370 ZEGBBFAUBUKGAD-HYBUGGRVSA-N 371.436 4.344 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O 587452688 SRWQPQCGMUWXNL-YCRPNKLZSA-N 363.438 4.482 0 1 FIAF COc1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587455314 MFBIPFRXKWEBLK-ZHRRBRCNSA-N 362.381 4.453 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccccc3)n1C)CC2=O 587471825 VXPAWDQPQFLJSV-FQEVSTJZSA-N 362.429 4.452 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1O 587547880 NXKMEERXMUPPIS-YLJYHZDGSA-N 368.772 4.454 0 1 FIAF O=C(c1cc(Cl)cc(Cl)c1)n1ncc2ccc(Cl)cc2c1=O 587651260 GEHQTNBZTMNOHV-UHFFFAOYSA-N 353.592 4.045 0 1 FIAF Brc1cc2nc(CCOCC3CC3)[nH]c2cc1Br 587784900 VVXUOFSKLDFALK-UHFFFAOYSA-N 374.076 4.057 0 1 FIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 587787350 UWNDMLZGSYNLGB-KGLIPLIRSA-N 371.234 4.269 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)OC(C)(C)C)N1 587792780 MSWDGFKHMARPLP-QGHHPUGFSA-N 372.278 4.069 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc[nH]c3nccc2-3)N1 587801975 JGOLMLJWQRSOOE-MGNBDDOMSA-N 374.257 4.214 0 1 FIAF COC1(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 587812036 OWTHZPBKCOTSAC-ZBEGNZNMSA-N 356.279 4.297 0 1 FIAF COc1ccc([C@H](O)[C@H](C)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587937887 QVOQBSMXSXSUFX-MGPLVRAMSA-N 350.340 4.427 0 1 FIAF Cc1cc(OC(C)(C)C)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O 587938456 XUNQKGKZIGNXKP-UHFFFAOYSA-N 366.417 4.429 0 1 FIAF CCc1ccc2c(c1)CC[C@]21c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962640209 ZGPZJTUZBSHLBL-IQMFZBJNSA-N 351.490 4.332 0 1 FIAF COC(=O)c1cc(F)cc([C@@H]2c3ccsc3CCN2Cc2ccco2)c1 962705261 KVSGUOIRBGZFTG-LJQANCHMSA-N 371.433 4.415 0 1 FIAF Fc1cccc2c1[C@@H](c1cnc(NCc3ccccc3)nc1)N1CCC[C@@H]1C2 963102435 MSBPTLQPPHFHRC-DENIHFKCSA-N 374.463 4.338 0 1 FIAF COC(=O)C[C@@]1(c2ccc(Cl)cc2)c2c(F)cccc2C[C@H]2CCCN21 963108455 PAXMYXONMAQGFV-DYESRHJHSA-N 373.855 4.306 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]21CCCN(Cc2ccccc2)[C@@H]1C 963259109 RKQBEPOFCSBZDQ-OPAMFIHVSA-N 370.924 4.374 0 1 FIAF N[C@@H](COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12 1857623763 SGHXFHRRWFLILP-HXUWFJFHSA-N 370.456 4.077 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@@]12C 2356460197 MGXRFKNRAHZEED-RQGSJKACSA-N 362.510 4.225 0 1 FIAF Cc1cc(C)n(C[C@H](C)NCc2c[nH]nc2-c2cccc3ccccc23)n1 15962436 OEDCYPNOZLMATP-INIZCTEOSA-N 359.477 4.222 0 3 FIAF COc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)n1 13555183 JNGKQOOMIKGFKT-UHFFFAOYSA-N 366.126 4.063 0 1 FIAF COc1ccc([C@H]2CC(=O)c3cc(OC)c4occc4c3O2)cc1OC 15119335 OBIYEOXVXASSGF-MRXNPFEDSA-N 354.358 4.165 0 1 FIAF biogenic N=C(N)c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1 28365421 FWEWLZSBDNPNAD-UHFFFAOYSA-N 367.456 4.443 0 1 FIAF O=C(Nc1ccc(Cl)c(Cl)c1)c1ccnn1CCc1ccncc1 28822058 WTMHZXCWPPHFNG-UHFFFAOYSA-N 361.232 4.080 0 1 FIAF C[C@@H](C1CCC(c2ccc(F)cc2)CC1)[C@H](N)C(=O)N1CC[C@](C)(F)C1 28824471 BKZNLTGYHSYTIZ-YRJIXQRISA-N 364.480 4.023 0 1 FIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)C[C@@H]3O 29127680 PKRFUEHGRHZIHD-RISCZKNCSA-N 356.418 4.134 0 1 FIAF COc1ccc2cc([C@H](OC)c3cc(OC)c(OC)c(OC)c3)oc2c1 45364236 WTQLRNYMPVOAIO-LJQANCHMSA-N 358.390 4.203 0 1 FIAF c1ccc(-c2ccc(NCCCCCN3Cc4ccccc4CN3)nn2)cc1 49089991 FTJHDEREJQMLMM-UHFFFAOYSA-N 373.504 4.246 0 1 FIAF COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCc1ccccc1 64409158 ALPWYQATULXWEM-FGZHOGPDSA-N 351.490 4.431 0 1 FIAF in-vivo O=C(O)c1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)o1 66148678 WVLWUNGHQAYWMA-UHFFFAOYSA-N 351.387 4.262 0 1 FIAF CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc(O)cc1 72108874 BETRLAMNDBJTLO-INIZCTEOSA-N 353.447 4.041 0 1 FIAF O=C1C[C@@H](C2c3ccccc3-c3ccccc32)C(=O)N1C(=O)c1ccccc1 103278035 MUSPVYGXEARRIY-FQEVSTJZSA-N 367.404 4.014 0 1 FIAF CC1(C)CC2=Nc3nc(S)nc(O)c3[C@H](c3cccs3)C2=C(O)C1 104079319 VGSYCEFHAMOLCE-GFCCVEGCSA-N 359.476 4.383 0 1 FIAF O=C1[C@H]2[C@H]3S[C@@H](c4c3ccc3ccccc43)[C@H]2C(=O)N1c1ccccc1 105482668 ZFPGOEXUFNQOHD-FYQPLNBISA-N 357.434 4.488 0 1 FIAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)Nc1ccc(C(F)(F)F)cc1 117713350 WCDYPBIYACQZAX-MRXNPFEDSA-N 365.355 4.010 0 1 FIAF COC[C@@H](COc1cccc2cnccc12)NCc1ccccc1Cl 169329845 PDOAUQHDHWTOPH-KRWDZBQOSA-N 356.853 4.072 0 1 FIAF CC[C@@]1(C)C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 586887226 FPFAWEQIMNUALH-QTTZVWFDSA-N 361.614 4.120 0 1 FIAF Cc1c(-c2nc3c(Br)cc(F)cc3[nH]2)oc2c1[C@H](O)CCC2 586905487 QRDUDXHGZIQTQP-LLVKDONJSA-N 365.202 4.403 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc(C4CC5(COC5)C4)[nH]c3c2)cc1 586916180 WQHAPCVZGVLVQT-UHFFFAOYSA-N 364.401 4.036 0 1 FIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc1 586951335 WWNDMHIRGPGQNQ-UHFFFAOYSA-N 372.494 4.073 0 1 FIAF CCS(=O)(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587087616 MICBKBWBCUCAMM-UHFFFAOYSA-N 359.838 4.158 0 1 FIAF Oc1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587166682 ZZUGHLLORMJDGL-UHFFFAOYSA-N 364.405 4.375 0 1 FIAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)c(F)c(F)c3[nH]1)O2 587175438 YVWMGGNNIIQOHS-NSHDSACASA-N 369.140 4.419 0 1 FIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(Cl)ncnc3[nH]2)c1 587196451 VSIGBDQJEVHGAW-UHFFFAOYSA-N 373.844 4.353 0 1 FIAF Cc1cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2cc1Br 587244323 NWKFJBSUNCTYLZ-FPLPWBNLSA-N 356.223 4.286 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](Oc4ccccc4)C1(C)C)[C@@H](C2)C3=O 587442344 LIYDHEOVDNVSEN-CECAUBDESA-N 350.414 4.059 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(=O)OC)c1)CC2=O 587477141 FMHRBQJAYNTUOT-OAQYLSRUSA-N 354.402 4.012 0 1 FIAF CCc1oc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)OC 587533150 OBDAQQCELUPNHO-LJQANCHMSA-N 354.402 4.214 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Cl)c2)N1 587706606 QVEGJOCQYQNKNW-VXJOIVPMSA-N 355.638 4.260 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2N)N1 587731943 MCKXIEDZHNPLQR-XYZCENFISA-N 367.237 4.107 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cnc2F)N1 587739772 VUWPMTPVNRQRAB-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF Cc1ccncc1CC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587774000 KRQAYSPWWBWPBN-BLLLJJGKSA-N 363.274 4.500 0 1 FIAF Cc1ccccc1-c1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O 587934056 AHQIGXBYNBVDSW-UHFFFAOYSA-N 362.429 4.419 0 1 FIAF CCOC(=O)[C@H]1CCCC[C@]12c1ccsc1CCN2Cc1cccn1C 962398735 NWVDFNXANUCUFL-NQIIRXRSSA-N 372.534 4.094 0 1 FIAF Cc1cc(OCC(=O)N(C)C)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1183430866 GQGVQCUOJACZSU-UHFFFAOYSA-N 355.478 4.190 0 1 FIAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1c(F)cccc1Cl 1772636453 QSWXBXSDEQWIGI-LLVKDONJSA-N 373.815 4.369 0 1 FIAF COc1cccc(OC)c1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772636695 USYMSCJIJPATSK-OAHLLOKOSA-N 369.442 4.434 0 1 FIAF CO[C@@H]1C=C(CC[C@]2(C)[C@H](C)CC[C@@]3(C(=O)O)C(C)=CCC[C@@H]32)C(=O)O1 2356520810 ZSKQNYQQCWYYSU-TXZHMQSUSA-N 362.466 4.086 0 1 FIAF Cc1cnc(NC(=O)N2CC[C@H](Oc3ccc(Cl)c(C)c3)C2)s1 2382242872 ALZWHRMBAZQMET-ZDUSSCGKSA-N 351.859 4.099 0 1 FIAF CCCN1CCC(=O)N([C@H](CSc2ccccc2)c2ccccc2)CC1 12474529 HWOIOHSHZYFHDC-OAQYLSRUSA-N 368.546 4.464 0 3 FIAF CCCC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 2456374 UCHOISFDAIFAAD-IBGZPJMESA-N 360.816 4.149 0 1 FIAF CN(C)C(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 6738671 ZZFNPRAZRDJCOW-RTBURBONSA-N 368.502 4.060 0 1 FIAF Cc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1 13799213 VYIBPAZWROJPIT-UHFFFAOYSA-N 361.489 4.297 0 1 FIAF CCC(=O)[C@H](c1cccc(O)c1)C1CCN(CCc2ccccc2)CC1 27873240 ZAQDYENDPSOJNL-QHCPKHFHSA-N 351.490 4.410 0 1 FIAF Cn1cccc1CCNC(=O)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@@H]21 28012369 MXIABTDFHLAMNE-MAUKXSAKSA-N 358.869 4.070 0 1 FIAF COc1ccc(O)c(-c2nc(C(C)(C)C)ncc2Sc2nccn2C)c1 29128124 QQPSSVQBJFNYDY-UHFFFAOYSA-N 370.478 4.040 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H]2CC[C@H]1O2 29322022 IWSCITFBDCQRGG-UIFRNXECSA-N 350.499 4.479 0 1 FIAF COc1cc(-c2cocc2-c2ccc3c(c2)OCO3)cc(OC)c1OC 36477197 HNVZRMDRUJAVSA-UHFFFAOYSA-N 354.358 4.368 0 1 FIAF Cc1cc(-c2cccnc2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n1 49802883 IJHSYESDWYJOJK-UHFFFAOYSA-N 358.323 4.118 0 1 FIAF O=C(O)[C@@H]1CCCN(CC/C=C(\c2ccccc2)c2ccccc2F)C1 66252053 YJBWTVCFPQFCJM-LSCADSNKSA-N 353.437 4.444 0 1 FIAF COc1cc(-c2nnc(Nc3ccc(C)cc3)s2)cc(OC)c1OC 71316652 NOKKFEOBEYABLH-UHFFFAOYSA-N 357.435 4.283 0 1 FIAF CCC(CC)NC(=O)c1cccc2[nH]c(-c3ccc(OC)c(OC)c3)nc12 71318412 KYBQBEKIPGBGBJ-UHFFFAOYSA-N 367.449 4.166 0 1 FIAF CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(CNC(=O)NCC)c1-3 72140995 NHXQUCQLRLAWTE-FQEVSTJZSA-N 363.505 4.038 0 1 FIAF O=C1c2ccc(-c3nc4ccc(F)cc4s3)cc2N=C[C@@H]2CCCN12 73257959 WBPWUMOUHWXQGO-ZDUSSCGKSA-N 351.406 4.423 0 1 FIAF COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccc(C)c3)ccc1O2 95577967 NWMFBKUHCMUGKM-QHCPKHFHSA-N 372.424 4.365 0 1 FIAF CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1C(F)(F)F 98085851 YTMCTWONBYRCCU-MLJWKTOOSA-N 356.300 4.188 0 1 FIAF CCCC[C@@]12C[C@@]1(C(=O)Nc1ccccn1)C(=O)Nc1ccc(Cl)cc12 100064352 OGMOFIAVFJQDAR-PMACEKPBSA-N 369.852 4.144 0 1 FIAF CCCCN(CCCC)CCn1cnc2c3cc(F)ccc3nc-2c1O 103533867 NZORJPVJSTXOOK-UHFFFAOYSA-N 358.461 4.283 0 1 FIAF C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)c(F)c1 205436772 YWGBYDRUISHZSH-NSHDSACASA-N 369.371 4.262 0 1 FIAF CO[C@H]1CCC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218979374 LQIBQKJUPJGWMQ-LEIHUNCNSA-N 371.521 4.038 0 1 FIAF CCCCC1CCC(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC1 586884971 SQMJLPFWGNKXDP-UHFFFAOYSA-N 363.527 4.277 0 1 FIAF Fc1cc(Cl)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587084812 ILOMUEIAHHHSGZ-UHFFFAOYSA-N 366.227 4.183 0 1 FIAF CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1coc2ccccc12 587281062 RYHVWRWIEOWGCS-UHFFFAOYSA-N 368.229 4.085 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(F)c(C)c4n1C)[C@@H](C2)C3=O 587428259 YJUUWPCSEBLYAA-QKKBWIMNSA-N 351.377 4.123 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C1CCNCC1)CC2=O 587484988 PDSPTUXJESAZKF-QHCPKHFHSA-N 365.473 4.205 0 1 FIAF O=C1C[C@@H](c2ccn([C@H]3CCCCO3)n2)Oc2c1ccc1c2CCCC1 587516022 QJHXJVFEQPBBEH-VQTJNVASSA-N 352.434 4.168 0 1 FIAF O=C1C[C@@](c2ccccc2)([C@H]2CCCNC2)Oc2c1ccc1c2CCCC1 587526444 RHMVQJNWJGKNNS-YADARESESA-N 361.485 4.426 0 1 FIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)n1 587554405 XHABURLOKDMHPH-PXNSSMCTSA-N 367.788 4.452 0 1 FIAF CCN[C@H](C)[C@]1(c2ccccc2)c2cc(OC)ccc2CCN1C(C)C 962095455 YTHAFQXKXZJYFB-JPYJTQIMSA-N 352.522 4.203 0 1 FIAF COc1ccc2c(c1OC)[C@@H](c1cnc(C(C)(C)C)s1)N(C)[C@H](C)C2 962618778 DVDMGFNDSXJDCF-SJKOYZFVSA-N 360.523 4.424 0 1 FIAF CCOc1ccc([C@@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962634328 TZJVJVMWYNPOEQ-NYHFZMIOSA-N 355.478 4.242 0 1 FIAF NCC(F)(F)[C@H]1CCC[C@@]2(C1)c1ccsc1CCN2Cc1ccco1 962714380 VYKNXVIIYXZRHD-KBXCAEBGSA-N 366.477 4.379 0 1 FIAF COc1cc([C@H]2NCCc3cnc4c(OC)cccc4c32)c(F)cc1Cl 963050030 XRRNGPWWYNZRTF-HXUWFJFHSA-N 372.827 4.280 0 1 FIAF CCCC(=O)Nc1ccc(Cl)c(Cc2nnc(O)c3c2CCCC3)c1 1772599545 KVCVWWNVPZQMBJ-UHFFFAOYSA-N 359.857 4.044 0 1 FIAF COc1cc(F)c(F)c(-c2cc(F)c(OCCCC(=O)O)c(F)c2)c1 1857652033 IAXVCOGRQZEGJE-UHFFFAOYSA-N 358.287 4.162 0 1 FIAF COc1ccc(CN[C@@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)cc1 2356531597 FTLBDBKWWUNYDQ-LBPRGKRZSA-N 370.380 4.038 0 1 FIAF CC(=O)OC[C@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1CC[C@@H]1C(=O)OC[C@@H]12 2356663495 JCFWGACKWZGXBV-UYHHXTEUSA-N 362.510 4.362 0 1 FIAF CCN(CC)c1ncnc2sc(C(=O)NC3CCCCCC3)c(C)c12 2925883 GBPQLHWKJVIOFB-UHFFFAOYSA-N 360.527 4.299 0 1 FIAF O=c1c(-c2ccc(F)cc2)nc2cnc(Nc3ccccc3)nc2n1C1CC1 4238510 SHPUYBVTOKYZQE-UHFFFAOYSA-N 373.391 4.071 0 1 FIAF c1cncc(CNc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1 4258464 XYRSIIPMFTZWDA-UHFFFAOYSA-N 356.385 4.033 0 1 FIAF CC(C)=CCc1c(O)ccc2c1OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 13380858 QUNOVMVJDFPSOE-BTYIYWSLSA-N 352.386 4.239 0 1 FIAF biogenic Cc1ccc(C(=O)O[C@H]2[C@H](C)Nc3ccccc3[C@@H]2N2CCCC2)cc1 13652394 XOERYRDAIBYLLQ-NDXORKPFSA-N 350.462 4.172 0 1 FIAF CC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833584 QOBDJBMGKSVCPC-UHFFFAOYSA-N 362.429 4.125 0 1 FIAF COc1cc(C[C@@H](C)[C@H](C)Cc2cc(OC)c(O)c(OC)c2)ccc1O 14646474 GFMUBOWRQZASFJ-ZIAGYGMSSA-N 360.450 4.181 0 1 FIAF biogenic O=C(Nc1cccc2c1Cc1ccccc1-2)[C@H]1CC(=O)N(C2CCCCC2)C1 14959383 FWSVJQAZHHERRH-KRWDZBQOSA-N 374.484 4.378 0 1 FIAF COc1c(-c2ccccc2)oc2cc(OCCCNC(C)C)ccc2c1=O 27106763 ASQSECFDIIJRJE-UHFFFAOYSA-N 367.445 4.236 0 1 FIAF CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCC(=O)NC)c1ccc(O)cc1 29323415 UDXHDKSGKWPWNR-IRLDBZIGSA-N 355.478 4.466 0 1 FIAF Cc1ccc([C@H](O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1C 38345590 GSIKYEKAOCMNLO-OAQYLSRUSA-N 371.440 4.027 0 1 FIAF O=C(c1ccccc1)N1CC[C@@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 51048157 KLMPFJPZBJFALA-CYBMUJFWSA-N 359.351 4.211 0 1 FIAF biogenic O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)c1ccc(F)c(F)c1 64539219 XYGUBZZNNZAJKQ-FQEVSTJZSA-N 373.305 4.235 0 1 FIAF CCOc1ccccc1-c1nc(C(=O)OCCc2ccccn2)cs1 82075158 OMGKJFAOGBQYQD-UHFFFAOYSA-N 354.431 4.003 0 1 FIAF O=C1Nc2cccc(c2)CNc2nc(ncc2Cl)Nc2cccc1c2 142436642 WKFDYXPIKYJBDD-UHFFFAOYSA-N 351.797 4.051 0 1 FIAF Cc1nn(Cc2ccc([C@H](C)Oc3ccccc3)cc2)c(C)c1CC(=O)O 168956098 LILTTWRIOILJMB-KRWDZBQOSA-N 364.445 4.315 0 1 FIAF C1=N\c2ncccc2OCCCOc2cccnc2/N=C/c2ccccc2/1 169298973 KSJWLQWVLMJYOD-WJVNUPORSA-N 358.401 4.139 0 1 FIAF CCCCC/C=C\C[C@@H](O)/C=C/C=C/C/C=C\CCCC(=O)NCCO 169314420 SRDAATFQYBQFIF-UXUJHZBJSA-N 363.542 4.211 0 1 FIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)cc(F)c2[nH]1 586973097 NOTLEEUEDXJOCR-KRWDZBQOSA-N 357.454 4.121 0 1 FIAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 587013063 YVVJOGOHILBYAG-UHFFFAOYSA-N 361.430 4.168 0 1 FIAF Fc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587019271 WJZPLTFZUCISLA-UHFFFAOYSA-N 367.405 4.188 0 1 FIAF Cc1cnc(Cl)c2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c12 587023574 QNPVEDAMPFEAEB-UHFFFAOYSA-N 365.846 4.390 0 1 FIAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2ncnc(Cl)c2[nH]1 587077398 WUTUOSJVJMVHPR-UHFFFAOYSA-N 358.188 4.094 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2cc(F)c(F)cc2[nH]1)C(F)(F)F 587093617 WDKHSBGSXNROFG-MRXNPFEDSA-N 371.309 4.004 0 1 FIAF Fc1ccc(-c2cnn(Cc3nc4ccc(Br)cc4[nH]3)c2)cc1 587165390 UHCBCWCUCQZWTE-UHFFFAOYSA-N 371.213 4.376 0 1 FIAF Cc1cccc([C@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c1 587402820 AAGJMDAGLWPKHT-NRFANRHFSA-N 353.418 4.001 0 1 FIAF COc1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)cc1 587436051 MSUUDZFMQUMSHJ-JPYJTQIMSA-N 373.408 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)CC)cc1)CC2=O 587479056 MDLPVBNQTLMHJZ-LJQANCHMSA-N 354.402 4.367 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(CC)cc(OC)c1O)CC2=O 587480921 PXVJVPUOWWBGOE-SFHVURJKSA-N 356.418 4.328 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3nc(O)oc3c1)CC2=O 587487080 VFUJSGLLIBXHAZ-FQEVSTJZSA-N 353.374 4.072 0 1 FIAF Nc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542810 AGWFTGJNZKZKRR-FXAWDEMLSA-N 367.788 4.331 0 1 FIAF CC[C@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581291 VQVQYQQKVRKFGB-SIKLNZKXSA-N 361.397 4.242 0 1 FIAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cc(F)ccc1F 587629679 XCVAZTCWZMDFRX-UHFFFAOYSA-N 367.710 4.256 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2F)N1 587720689 TZEGXENAXDEKFF-BCTVWOGZSA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nn(C)cc3c2)N1 587760920 QVKGGZONVNZSAY-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF COc1cc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c2cc1Cl 587925655 FVORVMCKSBDLGX-UHFFFAOYSA-N 360.841 4.417 0 1 FIAF CCOC(=O)c1ccc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2c1 587934722 NIZLLZBLPAIMOW-UHFFFAOYSA-N 362.429 4.321 0 1 FIAF CCOC(=O)[C@@H](CC)Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 653792986 WMQIDHKWWSRBEL-KRWDZBQOSA-N 373.880 4.402 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2cccc(Cl)c2)([C@H](C)O)N1 962951896 PHCLWASAXCIWST-CQURBHOASA-N 354.881 4.370 0 1 FIAF CCC(=O)Nc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OC 1772571701 UVEBHXRRTIKHPI-UHFFFAOYSA-N 361.405 4.212 0 1 FIAF COc1cccc(Cl)c1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772576336 LJPIFITZRKADSH-CQSZACIVSA-N 372.808 4.314 0 1 FIAF O=c1c(Cc2ccccc2)c[nH]c2c(-c3cccc4ccccc34)cnn12 1772637906 DWGUGPFLCUQWFT-UHFFFAOYSA-N 351.409 4.434 0 1 FIAF O=C(c1cnc(Nc2ccc(F)cc2)s1)c1cc2ccccc2oc1=O 1857552560 NUWHAIPJNLQKID-UHFFFAOYSA-N 366.373 4.363 0 1 FIAF COC(=O)c1ccccc1OCc1oc(-c2cccc(OC)c2)nc1C 1857639447 WCDXOQLDSYHFNS-UHFFFAOYSA-N 353.374 4.024 0 1 FIAF CC1=CCC[C@H](C(=O)O)CCC[C@@H](C(=O)O)[C@H]2C[C@@H](CC1)C(C)(C)O2 2356392653 KWEBFCAMVUQYNP-YLFCFFPRSA-N 352.471 4.262 0 1 FIAF COc1cccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)c1 1332633 ZXDNWIXRBCKLKV-UHFFFAOYSA-N 365.458 4.247 0 3 FIAF COC(=O)[C@@H]1[C@@H](C)c2ccc3c([nH]c4ccccc43)c2[C@H](C)[C@H]1C(=O)OC 6018173 SYKFZNOIYOZPSV-LFSCOCTRSA-N 365.429 4.120 0 1 FIAF CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1 13452554 BFYPXOUNPUWUNL-UHFFFAOYSA-N 368.568 4.162 0 1 FIAF O=C(Nc1ccc(Cl)cc1)c1cn[nH]c1-c1cc(Cl)c(O)cc1O 14958385 UHTAKNSQMNRCJA-UHFFFAOYSA-N 364.188 4.047 0 1 FIAF Cc1cc(CC(=O)O)nn1-c1cc(Cl)ccc1OCc1ccccc1 29129080 FFWQHPDQXHSWNU-UHFFFAOYSA-N 356.809 4.040 0 1 FIAF O=C(O)CCC/C=C\C[C@@H]1[C@H](/C=C/[C@@H](O)C2CCCCC2)[C@@H]2CC[C@H]1O2 29416534 CEHGUSRXHYTTPN-XCKYXYFHSA-N 362.510 4.479 0 1 FIAF COc1c(CC=C(C)C)c(O)cc2oc(=O)c(-c3ccccc3O)cc12 70455492 JGLRISGHFZSJRD-UHFFFAOYSA-N 352.386 4.389 0 1 FIAF biogenic,in-vitro FC(F)(F)Oc1ccc(-c2nc(Cn3ncc4c3CCCC4)co2)cc1 72101935 CSZUTEVVNMDRLQ-UHFFFAOYSA-N 363.339 4.364 0 1 FIAF Cc1ccccc1-c1nc(CN2CCN(c3ccc(F)cc3)CC2)co1 72180308 XEZTZAHFPBMIOK-UHFFFAOYSA-N 351.425 4.111 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 82214723 MVJAVIVNGMSDCN-BBWFWOEESA-N 366.509 4.472 0 1 FIAF O=C(NCc1c[nH]c2ccccc12)N1[C@H]2CC[C@@H](C2)[C@H]1Cc1ccccc1 100888587 UENKSTZFYXQHBC-LQBOVUBWSA-N 359.473 4.473 0 1 FIAF Nc1cc2c(Nc3cccc(Cl)c3)nc3cc(C(=O)O)ccc3c2cn1 145862159 PCNHIHDEJGRLDW-UHFFFAOYSA-N 364.792 4.460 0 1 FIAF O=S(=O)(O)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587026976 LKRPIRNYRDAKIK-UHFFFAOYSA-N 356.428 4.205 0 1 FIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cccnc3[nH]2)C[C@H]2CCCC[C@@H]21 587027228 QUHQKSBONWCDJZ-PVAVHDDUSA-N 366.490 4.094 0 1 FIAF Oc1c(Br)ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080761 PJBQQMBJCCBYTC-GFCCVEGCSA-N 365.614 4.361 0 1 FIAF Cn1cc(-c2nc3cc(Br)cc(F)c3[nH]2)c(C(F)(F)F)c1 587111801 HRVMJFKTPHTZTI-UHFFFAOYSA-N 362.124 4.489 0 1 FIAF N=c1nc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2c[nH]1 587112099 KLAJWQAXWCXDTH-UHFFFAOYSA-N 371.322 4.244 0 1 FIAF Fc1cnc2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 587181958 ADAWKCWQLCJIDI-UHFFFAOYSA-N 373.556 4.022 0 1 FIAF Fc1ccc(I)cc1-c1nc2ccc(Cl)nc2[nH]1 587182083 DPFPUFYAINHFSV-UHFFFAOYSA-N 373.556 4.022 0 1 FIAF COCC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350842 SJFXSWQHYIDHMS-PZJWPPBQSA-N 358.409 4.322 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1N[C@H]1c1ccccc1)O2 587401534 SCHZSQFEEHBOAL-QTJGBDASSA-N 370.452 4.151 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nc3scc(C4CC4)n13)O2 587413648 IBJBJZKUCUGLFT-MRXNPFEDSA-N 353.447 4.179 0 1 FIAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)cc1OC 587423742 VRIHBFHWBCOUBS-ZUOKHONESA-N 374.820 4.245 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(Cl)n1C)CC2=O 587461393 MOHHPXKCEMKVSX-GFCCVEGCSA-N 355.221 4.092 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(cnn3C)c1)CC2=O 587474795 HFEPJXPWVYCYCK-NRFANRHFSA-N 350.418 4.112 0 1 FIAF Cc1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587570690 XFWZCIVHVJTXQR-LAUBAEHRSA-N 366.344 4.248 0 1 FIAF Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1C 587611413 IMBKLZIQHUUGCA-QAPCUYQASA-N 353.399 4.168 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(F)c2)N1 587726697 YWJUAFFUPDYWEP-ZKANADHPSA-N 356.185 4.490 0 1 FIAF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587768565 DNTIUVQVBFLDAE-BMLIUANNSA-N 365.246 4.006 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c[nH]nc23)N1 587789289 AVVKTEXTPWWGRT-HUTHGQBESA-N 360.230 4.088 0 1 FIAF Cc1cc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587790048 GHGQLYWGAQTVNM-DIFFPNOSSA-N 351.263 4.331 0 1 FIAF CC(=O)C[C@]1(C2(C)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814053 FSMHORBYOJMTOO-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF CC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587847629 LUXPKDIEJCVPDU-BCTVWOGZSA-N 368.271 4.476 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1ccc(N3CCCC3)s1)N(C)[C@H](C)C2 962571948 PHQWBSXEPVWRPZ-SZNDQCEHSA-N 372.534 4.331 0 1 FIAF CCC=CCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@H]1CCCCCC(=O)O1 2356547078 XZIRYBKRPWWONW-HGJUEJDCSA-N 362.510 4.079 0 1 FIAF COc1cc2c(cc1OC)[C@@H]1[C@H](CO2)Oc2c(ccc3occc23)[C@@H]1OC 2356684072 LGJWBTKCQLVCIA-ZVDOUQERSA-N 368.385 4.075 0 1 FIAF CC[P@](=O)(OC)c1ccc2nc(-c3cncc(C(F)(F)F)c3)oc2c1 2382232385 ZKWZJXRENRSUAZ-VWLOTQADSA-N 370.267 4.478 0 1 FIAF Cc1ccccc1CNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 95604548 XAMDDJKKMHXCGF-UHFFFAOYSA-N 359.351 4.334 0 3 FIAF CCN(CC)c1nc(C)nc2sc(C(=O)NC3CCCCC3)c(C)c12 2925919 CWKRLOOPJUBUEP-UHFFFAOYSA-N 360.527 4.217 0 1 FIAF COc1c(OC/C=C(\C)C/C=C/C(C)(C)OC)ccc2ccc(=O)oc12 13481654 WLTATNKUESCCJM-LHXNCXNZSA-N 358.434 4.498 0 1 FIAF CCCCCC[C@@H](O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 13644429 BQABXUIGNYSGOR-VJJCQHNBSA-N 350.547 4.366 0 1 FIAF in-vivo COC(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2 13651831 MAQMGMISLYBNHO-DZJQHSCHSA-N 372.505 4.385 0 1 FIAF COc1ccc(C(=O)C[C@@H](O)c2ccc(OC)c(CC=C(C)C)c2)c(O)c1 28653851 OKIVVIFJBRWBCX-LJQANCHMSA-N 370.445 4.225 0 1 FIAF CCCCOC(=O)NCCc1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 28891250 DALIGEUSSSFBSJ-UHFFFAOYSA-N 355.360 4.164 0 1 FIAF CCCCCC(=O)Nc1ccc2c(cnn2Cc2ccccc2C(=O)O)c1 29478494 PVCCVRALUAKYKR-UHFFFAOYSA-N 365.433 4.302 0 1 FIAF O[C@@H](CNc1ccnc(Nc2ccccc2)n1)c1cccc(C(F)(F)F)c1 45226541 ZKCXVLUPUIIXKC-INIZCTEOSA-N 374.366 4.385 0 1 FIAF COc1ccc(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1OC 45336648 DEZSAVMEIHHGQZ-UHFFFAOYSA-N 369.442 4.045 0 1 FIAF COc1cccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c12 73223404 KRXCSQUDJOYSRZ-UHFFFAOYSA-N 362.473 4.314 0 1 FIAF CCOC(=O)c1c(O[C@@H]2CCC[C@@H](C)C2)cc(Cc2ccccc2)[nH]c1=O 95589832 OTMBEBSONSTDDC-CRAIPNDOSA-N 369.461 4.100 0 1 FIAF CCC/C=C/c1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1 146512784 MXEZMFDQDAPMOI-LFYBBSHMSA-N 363.457 4.160 0 1 FIAF Cc1cc(-c2ccccn2)cc(C)c1/C=C\c1cncc(-c2nn[nH]n2)c1 169341706 LBJHHPBGZCPQIO-SREVYHEPSA-N 354.417 4.111 0 1 FIAF COC[C@H](C)[C@H](C)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1 299828490 JOAFMJSIGQRTTK-KBPBESRZSA-N 360.450 4.166 0 1 FIAF C[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@H]12 473093990 URFLWVUVBMNHGM-GODJRVASSA-N 356.528 4.463 0 1 FIAF O=S(=O)(Cc1ccccc1-c1nc2cccc(F)c2[nH]1)c1ccccc1 586921668 KNJLLFMGLOHJMA-UHFFFAOYSA-N 366.417 4.343 0 1 FIAF Cc1cc(Cl)ccc1OCCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587067131 VIRXZBXPFIFFMY-UHFFFAOYSA-N 369.852 4.421 0 1 FIAF Oc1nncc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587158710 KQJLAMVCJPAHJI-MRXNPFEDSA-N 370.771 4.019 0 1 FIAF CC(C)(C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccccc1 587274397 VAKZGEFCUVHLIW-UHFFFAOYSA-N 374.234 4.243 0 1 FIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(F)(F)F 587382374 PFIPXJWPQOWHSP-MRXNPFEDSA-N 351.324 4.311 0 1 FIAF C[C@]1(Cc2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567355 GTJHRAZZXRQRDR-DENIHFKCSA-N 364.372 4.494 0 1 FIAF CC(C)c1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)co1 587588906 VFEZBMRZCDJHCH-UWJYYQICSA-N 365.385 4.381 0 1 FIAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)N3CCC(C(=O)OC)CC3)c2c1 587642549 MJWJJQIMHLFQGB-ZDUSSCGKSA-N 356.466 4.015 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)c(F)c2)N1 587725578 FCYNSHYUEFRRLV-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(F)cc2C=O)N1 587738006 JEGNDZLLRGSYQG-UOWDBTKRSA-N 372.234 4.225 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CCC2(C)C)N1 587817861 BILVTRVGIKFCJP-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF CCN[C@@H](C)[C@@]1(c2ccccc2)c2cc(OC)ccc2CCN1C(C)C 962095454 YTHAFQXKXZJYFB-FDDCHVKYSA-N 352.522 4.203 0 1 FIAF CC(=O)[C@@H]1CCC[C@@]12c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962626481 GYOBGULUEXMQBF-GPXNEJASSA-N 360.501 4.018 0 1 FIAF NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCCC(=O)O)c1 1857619275 ALQNEQRTZDZLHJ-UHFFFAOYSA-N 373.452 4.451 0 1 FIAF N=C(N)c1ccc2cc(-c3ccc(-c4ccc(C(=N)N)s4)s3)[nH]c2c1 1857748914 JLDNVNXUYNUWTN-UHFFFAOYSA-N 365.487 4.193 0 1 FIAF Cc1c(C(=O)NCc2ccoc2)oc2ccc3c(c12)C(=O)CC(C)(C)O3 4078522 LGRAOEWJYAIIJP-UHFFFAOYSA-N 353.374 4.008 0 3 FIAF CC[C@]1(C)Cc2nc3nc(=S)n(-c4ccc(C)cc4)c(O)c3cc2CO1 6785019 RNTWODFNSPINOR-HXUWFJFHSA-N 367.474 4.405 0 3 FIAF COCc1cccc(-c2csc([C@@](C)(NC(C)=O)c3ccccc3)n2)c1 61907550 OQTRJGWQATXXIE-NRFANRHFSA-N 366.486 4.356 0 3 FIAF COC(=O)c1ccc2nc(-c3ccccc3)c(Cc3ccccc3OC)n2c1 95567406 SWWXFZWZJRNENV-UHFFFAOYSA-N 372.424 4.387 0 3 FIAF Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1 839396 DBDQLLPCPIODHI-UHFFFAOYSA-N 352.785 4.199 0 1 FIAF COCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)cc1F 2483414 BJABMDDKGRCDOY-UHFFFAOYSA-N 368.836 4.198 0 1 FIAF CCCN(CCC)S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 3911250 PFITZESRTBQCHT-UHFFFAOYSA-N 357.479 4.041 0 1 FIAF in-vitro CNc1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1 5891713 NJPTXYROWWZSGQ-UHFFFAOYSA-N 350.466 4.455 0 1 FIAF O=C(O)CC[C@H]1C[C@@H]1c1cccc(OCCc2ccc3c(n2)NCCC3)c1 28648230 ALPCCUVICZDBAU-FXAWDEMLSA-N 366.461 4.030 0 1 FIAF O=C(Nc1ccccn1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 35950579 GOHFTUJMZHPEMS-UHFFFAOYSA-N 373.387 4.045 0 1 FIAF CC(=O)O[C@H]1CC2=C(COC2=O)[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 59110247 FLSJEPDXKPIBAA-SPAGYVKCSA-N 360.494 4.424 0 1 FIAF CO[C@@H]1CC=C2N(c3c[nH]c4ccccc34)C(=O)C[C@]2(c2ccccc2)O1 64251700 ALTMOVQZMNKHKV-FCHUYYIVSA-N 360.413 4.077 0 1 FIAF CCCCNc1ncc(C(=O)NCc2ccccc2)c(-c2ccccc2)n1 82133252 DDLFBUJONAERIK-UHFFFAOYSA-N 360.461 4.286 0 1 FIAF O=CN1[C@@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100800523 CQSPEDPZNBMSKV-RTBURBONSA-N 357.400 4.223 0 1 FIAF COc1cc(-c2ccc3ncnc(Nc4ccc(O)cc4)c3c2)ccc1O 143125881 YVGALQKPXFBOSA-UHFFFAOYSA-N 359.385 4.460 0 1 FIAF C[C@H](CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F 165292807 ZVJUBAZQNFKMDT-SNVBAGLBSA-N 368.433 4.317 0 1 FIAF CCOC(=O)/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2CC1 238782720 KNLFAXAQSAHCCF-MBGCOWRYSA-N 374.477 4.176 0 1 FIAF Cc1nc(Br)sc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587011293 NCUWYFSOYVZREG-UHFFFAOYSA-N 374.166 4.079 0 1 FIAF CCOC(=O)c1ccc2nc(-c3sc([C@@H](C)OCC)nc3C)[nH]c2c1 587014966 UVMSZPDBFKLCSK-LLVKDONJSA-N 359.451 4.269 0 1 FIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(C(C)(C)C)ccc2[nH]1 587038295 GNTGZJTZOSGQNS-UHFFFAOYSA-N 374.470 4.121 0 1 FIAF Cc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1C 587074698 VNVPWUDRWMGGFZ-UHFFFAOYSA-N 351.841 4.448 0 1 FIAF COc1c(F)cc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1F 587134254 CYASEBOHJZASFI-UHFFFAOYSA-N 357.129 4.418 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nc3sc4ccccc4n13)O2 587414106 KKPVHGNLFWMDJF-INIZCTEOSA-N 363.442 4.455 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1ccc(C)cc41)[C@@H](C2)C3=O 587436665 ADCKAOFGCLUVQD-GAJHUEQPSA-N 359.425 4.464 0 1 FIAF CC[C@H](C)Oc1c(OC)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439054 JAONHGSGFPXWCV-LSWYUMSHSA-N 368.429 4.370 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccco3)nc1)CC2=O 587486489 BZNQHIAKIJZMKP-SFHVURJKSA-N 350.374 4.101 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C[C@H](C)C(=O)O)(c1ccccc1)CC2=O 587487744 IEBLJSDZASSFBK-FPTDNZKUSA-N 368.429 4.316 0 1 FIAF O=C(O)CC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504852 NQRWAUGEEGJEDV-QFIPXVFZSA-N 368.404 4.430 0 1 FIAF CC[C@H]1CCCCN1C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517100 HCANMBNSWQYXRV-GAJHUEQPSA-N 369.505 4.471 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccccc2n1 587589173 VYCSGRALQHTAQB-SIKLNZKXSA-N 370.364 4.038 0 1 FIAF CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2ccc(F)c(Cl)c12 587631764 SQODORMNOYAHDF-UHFFFAOYSA-N 370.808 4.162 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nc[nH]c3c2)N1 587800115 ABVZDVCWVMQQBN-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF NC(=O)c1cc(-c2cccc3ccccc23)ccc1N[C@H]1CC[C@H](O)CC1 1857631831 PXKQIXAUIIFYEM-IYARVYRRSA-N 360.457 4.321 0 1 FIAF C[C@H](Nc1ccc2c(c1)N(C1CC1)[C@@H](C)C(=O)N2C)c1ccc(F)cc1 1857746972 IINAUNKOQHVAPJ-KBPBESRZSA-N 353.441 4.333 0 1 FIAF COc1ccc(C=C2OC(=O)C=C2c2ccc(O)cc2)cc1Br 2356767177 SBQQSAMGOOULLE-UHFFFAOYSA-N 373.202 4.145 0 1 FIAF CC[C@@]12C=C(COC(C)=O)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 2382217369 FTVDDLKJLYKEII-YADHBBJMSA-N 350.462 4.148 0 1 FIAF COc1cccc(-c2ccc(-n3cc(-c4cccc(C(=O)O)c4)nn3)cc2)c1 2382229188 DPUBWWIQCVGGGM-UHFFFAOYSA-N 371.396 4.308 0 1 FIAF C/C=C(/C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)C=C[C@@H](O)[C@@H]2C 13300597 HZKKUYMQQTYDGZ-RQBPHQRBSA-N 356.418 4.250 0 1 FIAF NS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(F)cc2)cc1 13477343 JFRLRVQACQEDEL-UHFFFAOYSA-N 366.417 4.288 0 1 FIAF O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/C(=O)N1CCCCC1 13609214 HJZNSLWFNZSYOU-SNAWJCMRSA-N 367.232 4.199 0 1 FIAF O=C(c1cccs1)N(C1CCC1)C1CCN(Cc2ccccc2)CC1 26570518 NWPXNCVKZRAFRI-UHFFFAOYSA-N 354.519 4.407 0 1 FIAF Cc1cc(C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 26819827 UXVPXZWXYNUYFT-PJHKVULZSA-N 372.436 4.018 0 1 FIAF CC(C)[C@H](C)CC(=O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27879525 OWLLXGOHMSBAOZ-UNWOCNEZSA-N 368.514 4.226 0 1 FIAF COc1ccc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)cc1 28701730 RQLQIADZSJAKIT-UHFFFAOYSA-N 372.472 4.164 0 1 FIAF CCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F 40401832 BNJDGGNSTHWZEL-UHFFFAOYSA-N 366.795 4.400 0 1 FIAF O=C(c1ccc(N2CCOCC2)cc1)n1c2ccccc2c2ccccc21 95771528 ANEPLTATKUHTGO-UHFFFAOYSA-N 356.425 4.320 0 1 FIAF C=C/C(C)=C\C[C@H]1[C@@](C)(O)[C@@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]21C 100781067 IEAUFJOLHRNYMW-RAODTYFBSA-N 364.526 4.015 0 1 FIAF endogenous,in-man CNC(=O)[C@H](OC)c1cccc(COc2ccc(Cl)cc2Cl)c1 103199570 YSNSENDHRVQNAV-MRXNPFEDSA-N 354.233 4.006 0 1 FIAF CC1(C)CC2=Nc3ncnn3[C@H](c3ccc(OC(F)F)cc3)C2=C(O)C1 103539491 RLOKYDOXLAQVMU-OAHLLOKOSA-N 360.364 4.187 0 1 FIAF CC1=Nc2nnnn2[C@@H](c2cccc(Cl)c2)/C1=C(\O)OC1CCCCC1 104115487 RGTGDTYYXCUWOD-UYTDBDHRSA-N 373.844 4.141 0 1 FIAF CCCCNC(=O)[C@H]1c2ccccc2C(=O)N1C[C@@H](C)c1ccc(F)cc1 143913711 VRMQGBZIVDYVLM-FOIQADDNSA-N 368.452 4.043 0 1 FIAF CN1Cc2cc(N3CCOCC3)ccc2[C@H](c2cc3ccccc3s2)C1 149951151 ZRXUBWRDOKMUIN-HXUWFJFHSA-N 364.514 4.315 0 1 FIAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(C3CCCCC3)nn12 206933570 WXJYXCBOQAHSHU-UHFFFAOYSA-N 372.856 4.287 0 1 FIAF Cc1ccc(S(=O)(=O)N2CCCc3cc(-c4cccnc4)ccc32)cc1 299831291 YKKMRLZEHVPJLV-UHFFFAOYSA-N 364.470 4.199 0 1 FIAF Cc1cc(C)c2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2c1 587029548 PWUYDUPZFVMJHF-UHFFFAOYSA-N 350.447 4.329 0 1 FIAF COc1cncc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587067842 REVPLOXCBYJJSC-UHFFFAOYSA-N 365.820 4.446 0 1 FIAF Cc1c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166403 RSAFTVJPHBXNLL-UHFFFAOYSA-N 361.380 4.265 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C(C)(C)C1)O2 587392651 UUJAJCCMOMKFJC-NRFANRHFSA-N 374.481 4.091 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccncc4)cc1)[C@@H](C2)C3=O 587436541 QNGZTYGUCNJNJX-CVDCTZTESA-N 357.409 4.420 0 1 FIAF C[C@H](O)[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503651 WFMITRWCZSQSFG-YEJXKQKISA-N 356.849 4.460 0 1 FIAF COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587506049 OCDMURYDLIESFR-IBGZPJMESA-N 354.377 4.198 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(C)c3ccccc23)N1 587768042 ZNQKCKJUBUVNSD-BTDLBPIBSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ncccc23)N1 587801670 HSFGONMTNDUTQO-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CC3(CCC3)C2)N1 587817013 HFXPBMCLCPAHGA-VOJFVSQTSA-N 366.274 4.241 0 1 FIAF CO[C@H](c1cncs1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587856223 WWECDHSJUANVSK-UKXDHYTESA-N 371.275 4.008 0 1 FIAF CCOC(=O)[C@@H]1C(C)=C[C@@]2(C[C@H]1C(C)C)NCCc1ccc(F)c(C)c12 962298580 NCFQECSROCDZEZ-KPLVRAHFSA-N 359.485 4.277 0 1 FIAF Cc1cccc2c3c([nH]c12)[C@]1(CCC3)c2ccsc2CCN1C(N)=O 962720863 YGFRHIRUVLTBHT-FQEVSTJZSA-N 351.475 4.055 0 1 FIAF O=C([C@@H]1Cc2ccccc2[C@H](COc2ccc(Cl)cc2)N1)C(F)(F)F 962731017 PYZZSGINAKCIMU-HOTGVXAUSA-N 369.770 4.106 0 1 FIAF CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC)NC(=O)CN 1772586279 NZEKJBWMRJXDTD-XGCMIMOYSA-N 368.562 4.250 0 1 FIAF CCOC(=O)[C@@H](C)CCCN[C@]1(c2ccccc2Cl)CCCCC1=O 1857539911 AUGQBVXMRUMYDR-YWZLYKJASA-N 365.901 4.247 0 1 FIAF COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1ccsc1 1857546557 PJCQQCKVANMHGD-UHFFFAOYSA-N 367.474 4.232 0 1 FIAF CC(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccc(F)cc2)cc1 1857577615 XLLPRXCFAXNSAL-HXUWFJFHSA-N 351.425 4.144 0 1 FIAF Clc1ccc(COc2cncc(-c3cnn(C4CCNCC4)c3)c2)cc1 1857657040 YYHPXVBFSURSDQ-UHFFFAOYSA-N 368.868 4.102 0 1 FIAF COC(=O)[C@H](C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)OC)CCC[C@@]21C 2356421396 IKWAALBTQGUXKJ-ZKZNVZPYSA-N 358.478 4.146 0 1 FIAF Cc1ccc(NC(=O)[C@@]2(C)CCN2Cc2ccc(OC(C)C)cc2)cc1 61895865 IQFSAPPZHXCIRC-JOCHJYFZSA-N 352.478 4.385 0 3 FIAF CC(C)Oc1ccc(F)cc1-c1cc(C(=O)NCc2ccc(F)cc2)[nH]n1 61904979 FAKXAPBBHMSXGN-UHFFFAOYSA-N 371.387 4.072 0 3 FIAF O=C1COCc2ccc(-c3cccc(O)c3)cc2N1CCc1ccccc1 74374961 BXXWWUSEBDBBTM-UHFFFAOYSA-N 359.425 4.165 0 3 FIAF CCN(CC)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1 3815749 PHDKOVQUPZVSDQ-UHFFFAOYSA-N 352.457 4.483 0 1 FIAF CC[C@H](CCc1ccc(O)c(OC)c1)CC(=O)NCCc1ccccc1 13489529 SNGBKGFMPFJILK-QGZVFWFLSA-N 355.478 4.109 0 1 FIAF c1ccc(Cn2nnc3c(NC4CCCC4)nc(-c4ccccc4)nc32)cc1 13589736 IBOOCBFBUDOMII-UHFFFAOYSA-N 370.460 4.291 0 1 FIAF CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1 14977315 YAVIYNBTNRCQNL-UHFFFAOYSA-N 372.528 4.394 0 1 FIAF Cc1cc([C@@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)sn1 28250395 IEDZLXSGBXPSEW-JOCHJYFZSA-N 363.530 4.359 0 1 FIAF CC[C@H](COc1cccc(Cl)c1)OC(=O)N(C=O)Cc1ccccc1 34649953 MKXVWSRVZYPTMV-QGZVFWFLSA-N 361.825 4.293 0 1 FIAF N[C@H](COc1cncc(/C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 37867078 SGHXFHRRWFLILP-PRPIBZDOSA-N 370.456 4.077 0 1 FIAF CO[C@H](c1ccccc1)c1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 38330753 FGNKOPGSGPMEJL-HXUWFJFHSA-N 357.413 4.065 0 1 FIAF CNC(=O)c1ccc([C@@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1 45337804 DJMUWSRTXHJCMM-FQEVSTJZSA-N 354.413 4.104 0 1 FIAF NC1(c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)CCC1 84705541 VBDPGNXPOVBUGQ-UHFFFAOYSA-N 367.452 4.391 0 1 FIAF O=c1[nH]c(=O)c(Cc2ccccc2)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1 101598483 VHLMQIRJBBXPBJ-WGSAOQKQSA-N 360.457 4.095 0 1 FIAF CC(=O)c1c(Nc2ccc(F)c(F)c2F)[nH]c2c(F)cc(F)cc2c1=O 140546055 GFNFICLJUUISAM-UHFFFAOYSA-N 368.261 4.170 0 1 FIAF Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3CC3CCCC3)cc12 147917939 RNQXCJXLMHADMA-UHFFFAOYSA-N 372.476 4.185 0 1 FIAF Cc1cc(F)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2c1 587124127 LVAKFIBGCXORMD-QPUJVOFHSA-N 353.323 4.181 0 1 FIAF Cc1nc2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2cc1Br 587149979 IOHUHSHPGGLSIP-MRVPVSSYSA-N 368.181 4.447 0 1 FIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(F)c(Br)c2[nH]1 587162792 DICYNOFFEOHRAR-OAHLLOKOSA-N 366.209 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCC[C@@H](C(=O)OCC)C1)CC2=O 587478230 IPUBZCIAYHPMFT-LPMFXHHGSA-N 360.450 4.048 0 1 FIAF C[C@@]1(c2ccc(OC[C@@H]3CO3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587536253 SUJKLAFZOVIZAJ-JPYJTQIMSA-N 364.441 4.224 0 1 FIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587600730 PNVHFALRLXSJBW-SIKLNZKXSA-N 362.381 4.412 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)OC(C)(C)C)N1 587792779 MSWDGFKHMARPLP-DYZYQPBXSA-N 372.278 4.069 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@H]1C[C@H]4[C@@H]3[C@H]12 587828649 PFSFUUDFPBRGMM-SHQAKTOASA-N 374.297 4.096 0 1 FIAF COc1ccc(-c2ccc(-c3nc4c(C)nccc4[nH]3)c(O)c2)cc1OC 587925708 CJTFZPKJUKUDIT-UHFFFAOYSA-N 361.401 4.323 0 1 FIAF CC(C)c1cc(OC(C)(C)C)n(-c2n[nH]c(-c3ccccc3F)n2)c1O 587944609 DAJZNJIWTQIKDI-UHFFFAOYSA-N 358.417 4.408 0 1 FIAF CN(C)CCOc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587965522 AYBUANCWTGDJIQ-UHFFFAOYSA-N 351.494 4.343 0 1 FIAF CC(=O)Oc1cccc([C@@H]2c3ccsc3CCN2Cc2cccn2C)c1 962401152 VQQLGCMRBSRALE-OAQYLSRUSA-N 366.486 4.160 0 1 FIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](C3CCC(F)(F)CC3)N12 962645980 SJNCSJDGAUPICH-DYESRHJHSA-N 374.431 4.200 0 1 FIAF C[C@@]1(c2ncc(Br)cc2F)NCCc2cc(Cl)ccc21 963381078 OVYLKOMCJBSBBD-OAHLLOKOSA-N 355.638 4.046 0 1 FIAF COc1cccc(OC)c1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772606952 KPAYSTKBZUTPAB-HNNXBMFYSA-N 371.364 4.105 0 1 FIAF Cc1nn(Cc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)c(C)c1CC(=O)O 1772638845 ZXMPZSBDTVCPNT-UHFFFAOYSA-N 374.444 4.027 0 1 FIAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]3(CCC[C@@H]3CNC3CCCC3)[C@H]1[C@@H](O)C2 2356772937 MNVCSJUUUAOHID-YXRJVTLXSA-N 361.570 4.017 0 1 FIAF O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(-c3ccccc3)cc2)C1 753697 HDMHTFMJNPILEW-SIKLNZKXSA-N 356.469 4.135 0 1 FIAF COc1ccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c2c1 13488820 AIYBKTHGVJGOBK-XCLFUZPHSA-N 358.869 4.084 0 1 FIAF CC[C@@H](O)CCCCCCCC[C@@H](Cc1cc(O)cc(O)c1)OC(C)=O 14772393 NNSXNUFHPOAPLQ-NQIIRXRSSA-N 366.498 4.464 0 1 FIAF biogenic C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](N)C[C@@]1(c1cccc(O)c1)C2 27104915 DBPFGWTUHBQYTM-YZZIRNTPSA-N 364.533 4.094 0 1 FIAF CCOC(=O)CCc1c(C)n(C(=O)c2cccs2)c2ccc(OC)cc12 28111553 KUNAMGZULIWRQT-UHFFFAOYSA-N 371.458 4.204 0 1 FIAF CC(=O)OC1=C(c2ccccc2)Sc2ccccc2N2C(=O)CC[C@@H]12 28241518 DFNIZSUPEXULRD-INIZCTEOSA-N 351.427 4.220 0 1 FIAF C1=Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 72114993 XBHWEEBZMBXPNO-UHFFFAOYSA-N 357.457 4.365 0 1 FIAF COc1cc(C(=O)c2csc(Nc3ccccc3)n2)cc(OC)c1OC 72116777 UJLSUSCHHHKRGD-UHFFFAOYSA-N 370.430 4.144 0 1 FIAF CC(C)C[C@H](C(=O)NC1CCCCC1)n1c(=O)[nH]c2cc(Cl)ccc21 96905528 HLYCAAAWTXUCLZ-QGZVFWFLSA-N 363.889 4.019 0 1 FIAF O=C(OC[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccs1)CN32)c1ccccc1 100909265 SPPHJQRBMCMDGZ-DRERRVHBSA-N 365.498 4.471 0 1 FIAF N=C(Nc1ccc2c(c1)SCCN2CCN1CCCC1)c1cccs1 113971664 QEUNBGXPNAFUMV-UHFFFAOYSA-N 372.563 4.193 0 1 FIAF Cc1csc(SCc2ccc(-c3nc4nccc(N)c4[nH]3)cc2)n1 587020617 CLVGTXOACBSYLZ-UHFFFAOYSA-N 353.476 4.264 0 1 FIAF Fc1ccc(-c2nc3cccc(I)c3[nH]2)cc1F 587145320 KOOAKLYMWPOHSW-UHFFFAOYSA-N 356.113 4.113 0 1 FIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1 587161876 SFQBSWJNWFDUKG-UWVGGRQHSA-N 350.166 4.270 0 1 FIAF Fc1ccc(-c2cnn(Cc3nc4cc(C(F)(F)F)ncc4[nH]3)c2)cc1 587164990 HMBJAGVEMQHYAM-UHFFFAOYSA-N 361.302 4.028 0 1 FIAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(Br)c(O)c2[nH]1 587168985 PIRXNJOLTBKJGM-MRVPVSSYSA-N 351.175 4.310 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(C(F)(F)F)cc1C)O2 587380794 ATVRFVJIVZBRRD-KRWDZBQOSA-N 350.340 4.180 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cnn(C(C)C)c3nc1Cl)O2 587383311 VXCYYJBZKMFMDY-INIZCTEOSA-N 370.840 4.263 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(C)s1)O2 587411817 WFXOOVJIDPEXIJ-CYBMUJFWSA-N 352.253 4.416 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(F)cccc1OC(F)(F)F)[C@@H](C2)C3=O 587422531 OFVUBIJIOKSXKH-BTDLBPIBSA-N 368.282 4.222 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccncc1)[C@@H](C2)C3=O 587436085 LNDCBFTXMWSUQA-FDDCHVKYSA-N 373.408 4.158 0 1 FIAF COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1Cl 587502137 TWUJOIVBIFBQJQ-QGZVFWFLSA-N 371.820 4.107 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2o1 587588962 VTXLVOFNBRLSLA-YLJYHZDGSA-N 359.337 4.236 0 1 FIAF CC[C@H](C)n1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587760092 OBTVACIWWSQEOA-PSVSLLHZSA-N 366.278 4.379 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2coc(C3CC3)n2)N1 587773394 IFPGRWOKRLCWAT-XLFHBGCDSA-N 365.246 4.251 0 1 FIAF O=C1CC2(CC2)C[C@]2(C1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962626376 GVFJYYPEFFUWEM-SQJMNOBHSA-N 372.512 4.162 0 1 FIAF CCN(CC)[C@H]1CCCC[C@]12c1cccc(Br)c1CCN2C 963288505 CLACDRGEPITWKA-OALUTQOASA-N 365.359 4.417 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1nc2cc(F)ccc2s1 963609165 MJMZAYYFPLSVEO-MGNBDDOMSA-N 358.438 4.076 0 1 FIAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OCC3CC3)cc12 1857577298 IWUBHCOVMKBJQF-BSWISCRUSA-N 366.505 4.177 0 1 FIAF CCC(CC)n1cnc2c(NCc3c(C)cc(C)nc3O)nc(Cl)nc21 1857618744 JAFDUAVNPINXOF-UHFFFAOYSA-N 374.876 4.170 0 1 FIAF CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)CO 2356481709 ZCCLDKGWJIREQF-UHFFFAOYSA-N 352.515 4.472 0 1 FIAF CCNCc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1 2382230257 URHQFIKNWRKBRG-UHFFFAOYSA-N 368.444 4.278 0 1 FIAF Cn1c(=O)sc2cc(CCN3CCC(Cc4ccccc4)CC3)ccc21 836242 PAQOLVFJAVGSLY-UHFFFAOYSA-N 366.530 4.097 0 1 FIAF COC(=O)[C@@]1(C)CCC[C@]2(C(=O)O)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12 5852841 BUDZNKDGXHMPRO-NQDBYFHPSA-N 360.450 4.016 0 1 FIAF Cc1ccccc1OCc1ccnc2c1NC(=O)c1cccnc1N2C1CC1 5931397 NGBSYADTRKVTPO-UHFFFAOYSA-N 372.428 4.230 0 1 FIAF CC1(C)C=Cc2cc3c(cc2O1)OC[C@@H]1c2cc4c(cc2O[C@@H]31)OCO4 6201928 OYJSNPOSPVUTQQ-VLIAUNLRSA-N 350.370 4.209 0 1 FIAF biogenic CC[C@H]1CN(C(=O)Nc2ccccc2)CC[C@@H]1CC(=O)Nc1nccs1 25429957 NUNVCDFYQSKZTK-LSDHHAIUSA-N 372.494 4.052 0 1 FIAF biogenic COc1ccc(CCC(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OC 28367938 IJHLKMBROXTELK-UHFFFAOYSA-N 368.429 4.409 0 1 FIAF Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)C)cc1 28890109 PIBAKCCNJIPSDZ-UHFFFAOYSA-N 350.422 4.366 0 1 FIAF CCOc1ccc(Cc2nc3cc([S@@](=O)CC)c(Cl)cc3[nH]2)cc1 29047133 LUZOSGOHFWMHGV-XMMPIXPASA-N 362.882 4.333 0 1 FIAF Oc1cccc(C[C@@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)c1 29476599 TUUCYEIFPUAUMG-VWLOTQADSA-N 372.512 4.494 0 1 FIAF O=C(c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1)N1CCCC1 82215035 DOMYSLQHNSMVQM-UHFFFAOYSA-N 368.456 4.263 0 1 FIAF CCCN(C(=O)c1ccccc1OCc1ccccc1)[C@@H]1CCC[C@H](N)C1 96286349 LLGUPACHQWNHJG-VQTJNVASSA-N 366.505 4.388 0 1 FIAF COc1ccc([C@@H]2C(c3ccccc3)=NO[C@@]23C(=O)Nc2ccccc23)cc1 103236535 VYUXTBHXUWABGF-NFBKMPQASA-N 370.408 4.061 0 1 FIAF CN1CCN(C2=Nc3cc(Cl)ccc3N=C(c3ccccc3)C2)CC1 139031473 SVTHSVRFZPLMJX-UHFFFAOYSA-N 352.869 4.142 0 1 FIAF O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(Cl)c3)c[nH]2)CC1)c1ccon1 139646388 AFHJVERWEBAZJU-NNUKFRKNSA-N 370.840 4.174 0 1 FIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccc(Cl)c1Cl 169369284 QJUURDMOAUOHOG-DFPMDJTHSA-N 352.261 4.033 0 1 FIAF COc1ccnc(-c2[nH]c(=Nc3ccc(Cl)cn3)sc2Cl)c1 473135946 LNQOZDIYFOIFGS-UHFFFAOYSA-N 353.234 4.081 0 1 FIAF CCc1oc2ccccc2c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 586904760 ZJORHXHVBCHKJR-UHFFFAOYSA-N 361.445 4.371 0 1 FIAF COc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1F 587013302 SUMZZNCFKQFEKB-UHFFFAOYSA-N 368.231 4.474 0 1 FIAF CC(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587041766 FBARYCCJAALWDJ-INIZCTEOSA-N 371.849 4.074 0 1 FIAF Clc1ccc(CN2CCC[C@@H]2c2nc3cc4cn[nH]c4cc3[nH]2)cc1 587074498 AUUDPLKUVUCLJZ-GOSISDBHSA-N 351.841 4.430 0 1 FIAF COc1nccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137818 NCLUQFBOJMEXNN-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF Cc1ccc(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F 587146371 JUXJXPFEOXOSDV-FNORWQNLSA-N 351.425 4.013 0 1 FIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)nc2[nH]1 587148966 CBUVRDGFEGAPKM-SSDOTTSWSA-N 354.154 4.139 0 1 FIAF CC[C@H](Oc1ccccc1F)c1nc2c(Br)ccnc2[nH]1 587155952 OYXOYXYICSYIHX-NSHDSACASA-N 350.191 4.390 0 1 FIAF Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)c(F)c(F)c3[nH]1)O2 587175365 YVWMGGNNIIQOHS-LLVKDONJSA-N 369.140 4.419 0 1 FIAF CC1(C)C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587358542 WORDCHAMFSCURO-RXVVDRJESA-N 356.393 4.218 0 1 FIAF COc1cc2c3c(c1)O[C@](c1cccnc1)(c1cc(C)cc(C)c1)[C@@H](C2)C3=O 587437380 ZGEXSWRNWSOLHB-GBXCKJPGSA-N 371.436 4.398 0 1 FIAF CC(C)(C)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587581186 KNYFKTFBXOJJOH-FXAWDEMLSA-N 364.401 4.047 0 1 FIAF CCCC[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587800809 ZMYNFPZLXDLQCK-PIGZYNQJSA-N 372.278 4.071 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3cc[nH]c3c2)N1 587801742 HXTKOXJUXTYYHJ-HUTHGQBESA-N 360.230 4.088 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823120 OHEJDOQXHYOXJB-VZSAFFHGSA-N 368.290 4.487 0 1 FIAF CCOc1c(F)cc([C@@]2(C)NCCc3c2c(C(C)C)nn3C)cc1Cl 962913189 QVJBYGOJXYWROR-LJQANCHMSA-N 365.880 4.144 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)[C@H]1NCCc2c(Cl)cc(Cl)cc21 963116229 WCDAUDDYMRNPEY-AWEZNQCLSA-N 359.297 4.484 0 1 FIAF C[C@@H](C1CC1)n1cnc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 1857571528 TZKWAPHOTJVAKY-NSHDSACASA-N 361.371 4.428 0 1 FIAF CCc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1 1857589479 XBFRRCZSSOFGAI-UHFFFAOYSA-N 350.397 4.189 0 1 FIAF Cc1oc2c(c1C)[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](CC[C@](C)(O)[C@H]1C)C2=O 2356556657 JSUOPHWQXCMPKR-GJRICXIESA-N 362.466 4.136 0 1 FIAF CC=Cc1cc(OC)cc(O[C@@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c1 2356704086 HEOFBSZBJUOVBA-QKKBWIMNSA-N 358.434 4.246 0 1 FIAF Cc1cc(-c2c[nH]c(=N)[nH]2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 2382221152 BGQMQJSWNBQHRT-UHFFFAOYSA-N 361.232 4.357 0 1 FIAF Cc1cc2nc([C@H]3CCCN(C(=O)NCc4ccccc4)C3)[nH]c2cc1C 1350352 ZIKFGGUCAYDDAI-SFHVURJKSA-N 362.477 4.269 0 3 FIAF COc1ccc(Nc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1 1866576 AAFHHXQPWZUDFK-UHFFFAOYSA-N 357.417 4.213 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4055239 LVXVZZJXPLTRPQ-MJGOQNOKSA-N 356.853 4.348 0 1 FIAF CCOC(=O)c1ccc2nc3n(c2c1)[C@H](c1c(F)cccc1F)SC3 5544153 RSJYDJPPEQBFLX-KRWDZBQOSA-N 360.385 4.285 0 1 FIAF CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 9433680 PGJZKIXYTBMZNT-RTBURBONSA-N 368.502 4.108 0 1 FIAF Cc1cccc(NC(=O)Nc2ccc(-c3cncc4[nH]nc(N)c34)cc2)c1 29130252 FOONBYIHFUMRSX-UHFFFAOYSA-N 358.405 4.160 0 1 FIAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 29217591 TXKQIJMFIKPRKR-VPOHQYOLSA-N 367.533 4.225 0 1 FIAF Cc1c2c(c(CCCCC(=O)O)c3c1Oc1ccccc1O3)C(=O)OC2 35090779 UACJNWHUICPSHO-UHFFFAOYSA-N 354.358 4.361 0 1 FIAF CC(C)(C)Oc1cccc(C(=O)Nc2ccc3sc(CO)nc3c2)c1 38267174 BUIXTBLWVYCCOF-UHFFFAOYSA-N 356.447 4.218 0 1 FIAF CC1(C)Oc2ccc(Cl)cc2[C@@H](n2ccnc2-c2ccccc2)[C@@H]1O 40394227 YUWHIPMHJROMKH-MSOLQXFVSA-N 354.837 4.325 0 1 FIAF COC12C[C@@H]3CC(C[C@@H](C3)C1)[C@@H]2NCCNC/C=C(\C)CCC=C(C)C 45258462 BJOKLVJCEGAZJQ-FSHXNHBPSA-N 360.586 4.452 0 1 FIAF COc1cccc(-c2nc(CN(C)C)nn2-c2ccc(C(C)(C)C)cc2)c1 45347477 ADMLFMJKRVLJPW-UHFFFAOYSA-N 364.493 4.302 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2cccc(C)c2)n1 82160101 FGOCALMHDXVTQC-MRXNPFEDSA-N 352.482 4.289 0 1 FIAF C[C@H](N[C@H](CC(=O)c1ccccc1C(F)(F)F)C(=O)O)c1ccccc1 84604765 WUDYUQXXUZPWMX-BLLLJJGKSA-N 365.351 4.082 0 1 FIAF Cc1noc(-c2sc3c(c2-c2nc4ccccc4s2)CCNC3)n1 84704042 UECGHYBELYFYOT-UHFFFAOYSA-N 354.460 4.029 0 1 FIAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccc(F)cc3)C2)cc1C 95580105 HRACPZWYKJGXAW-GOSISDBHSA-N 367.449 4.223 0 1 FIAF CCSc1nnc(-c2nc3ccccc3n2Cc2ccc(F)cc2)o1 103285985 DUNCSLHRFNOEIX-UHFFFAOYSA-N 354.410 4.386 0 1 FIAF CCCNC(=O)[C@@H]1c2ccccc2C(=O)N1C[C@H](C)c1ccc(Cl)cc1 143965868 ORTPWEWMSRZRJZ-LIRRHRJNSA-N 370.880 4.167 0 1 FIAF CCC[C@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166284401 GNEIYIMEYDHURY-HNNXBMFYSA-N 351.450 4.153 0 1 FIAF Cc1ccn2cc(-c3ccc(NC(=O)c4ccccc4C(=O)O)cc3)nc2c1 169350555 RRLBARKPGBYCIY-UHFFFAOYSA-N 371.396 4.260 0 1 FIAF CCc1cnc(-n2nc(OC(C)C)c(Oc3cccc(F)c3F)c2C)nc1 299871412 YLXSIEYIYYJQLC-UHFFFAOYSA-N 374.391 4.391 0 1 FIAF O=Cc1cc(O)c2c(-c3cc(O)cc(O)c3)c(-c3ccc(O)cc3)oc2c1 473121717 QZAVIALHBJNTGA-UHFFFAOYSA-N 362.337 4.402 0 1 FIAF O[C@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C1CCOCC1 586913786 OOMBNLHQHBIXCB-LBPRGKRZSA-N 368.277 4.061 0 1 FIAF Fc1cc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2cc1Cl 586966912 KZLXKHZLUYJRHV-UHFFFAOYSA-N 361.789 4.093 0 1 FIAF Clc1c[nH]c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)nc-2n1 587083491 WWVMBHSEEILBJR-UHFFFAOYSA-N 350.596 4.480 0 1 FIAF COc1ccc(-c2nc3cc(Br)cnc3[nH]2)c(C(F)(F)F)c1 587095347 FEJCKBMOZHUTJY-UHFFFAOYSA-N 372.144 4.415 0 1 FIAF FC(F)(F)Oc1cccc(CSCc2nc3c(Cl)ncnc3[nH]2)c1 587122577 CDMOSZYTWKVQFP-UHFFFAOYSA-N 374.775 4.338 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(CC1CCC1)CC2=O 587479456 IMBNVWQHBXCRLQ-NRFANRHFSA-N 360.450 4.192 0 1 FIAF CC(C)(C)OC(=O)N1CC([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587517212 JFPUHHQTZJAIRZ-JOCHJYFZSA-N 371.477 4.156 0 1 FIAF O=C(O)c1ccc2c(c1)OC=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587532913 QUUSQVQJWURISL-QFIPXVFZSA-N 362.381 4.030 0 1 FIAF CC(C)c1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)co1 587588904 VFEZBMRZCDJHCH-LAUBAEHRSA-N 365.385 4.381 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CF)n2)N1 587714017 DVNXJSDGPKDYEO-ABKXIKBNSA-N 353.210 4.076 0 1 FIAF Cc1ccccc1C(=O)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587813712 DPJVZOVKHDIJIX-APPDUMDISA-N 362.242 4.355 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2C=O)N1 587816181 VAWTWAIHUIRBKO-VOJFVSQTSA-N 362.242 4.198 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]1[C@@H]53)[C@@H]42 587827367 KVAWFNORIYSZCN-MJOJYTMKSA-N 374.297 4.096 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cc3ccccc3OC2)N1 587835561 PSPGWNSPMYGHBR-CWTRNNRKSA-N 374.253 4.424 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3sccc32)N1 587854541 CQDXPBGLRMRPNQ-XXFAHNHDSA-N 352.272 4.374 0 1 FIAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)NCCc2cc(-c3ccccc3)ccc21 962672877 UDNCOWYHEADIGY-DEOSSOPVSA-N 372.468 4.414 0 1 FIAF CC(=O)Oc1cc2c(CC[C@H](O)C(C)(C)O)c(C)ccc2cc1C(C)C 1857572554 FSIZBPFCPDLNGX-NRFANRHFSA-N 358.478 4.261 0 1 FIAF C/C=C/C(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC 1857615317 OKAPSOXFUMWUOH-QPJJXVBHSA-N 364.401 4.084 0 1 FIAF COc1cccc([C@](C)(O)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 61903227 SGMHIQSJAFUDGT-FQEVSTJZSA-N 371.458 4.092 0 3 FIAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccsc2)cc1 841388 OMDMHQMXOOEHHW-UHFFFAOYSA-N 372.393 4.023 0 1 FIAF CC1(C)O[C@@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@H]1C(=O)O 1648741 QSPIKFKGKSSIKJ-ZKANADHPSA-N 357.237 4.375 0 1 FIAF CCc1cc(N(C)Cc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5887135 QOQOEYLFCWZWJM-UHFFFAOYSA-N 366.248 4.330 0 1 FIAF CCN1CC[C@@]2(C)c3cc(OC(=O)N[C@@H](C)c4ccccc4)ccc3C[C@H]12 13453884 VONJUQXHNPNBDU-YROCYRMSSA-N 364.489 4.444 0 1 FIAF O=C(c1ccc(F)c(Br)c1)N1CCCC(c2ccccc2)=N1 13744720 NFXGORVTGOUZTR-UHFFFAOYSA-N 361.214 4.229 0 1 FIAF CCCCN(C)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 13747379 COURVWJEMWGVJJ-UHFFFAOYSA-N 369.531 4.032 0 1 FIAF CCCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 13833872 MLTTVVZNUHJHEE-UHFFFAOYSA-N 354.406 4.066 0 1 FIAF C[C@@H](c1ccc(-c2ccccc2Cl)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948184 XXVBSPRJQMYRKA-AXHNFQJDSA-N 360.860 4.008 0 1 FIAF C[C@@H](CCc1cccc(OCc2ccc3ccccc3n2)c1)Cc1nnn[nH]1 26721386 YMCYOKUMKYELQN-INIZCTEOSA-N 373.460 4.138 0 1 FIAF O=C(c1ccccc1Oc1ccccc1)N(c1ccccc1)[C@H]1CCNC1 35930784 OOCIRVSPZDCFHT-IBGZPJMESA-N 358.441 4.488 0 1 FIAF CSc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)n1N 40872644 SVROINPRPVYXOG-UHFFFAOYSA-N 372.457 4.077 0 1 FIAF CC(C)c1ccccc1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-] 43011837 DKHNOSHBGQTOBC-UHFFFAOYSA-N 368.383 4.202 0 1 FIAF c1cc(CNCC2CCN(CC3CCCCC3)CC2)cc(-n2ccnc2)c1 45188551 AVGVNVMZUQFGEJ-UHFFFAOYSA-N 366.553 4.254 0 1 FIAF Nc1ccc(-c2cc(Cl)cc3c2O[C@H](C(F)(F)F)C(C(=O)O)=C3)cc1 66066261 UBMHUOWYROYDAE-HNNXBMFYSA-N 369.726 4.381 0 1 FIAF CC[C@@H](C)NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82133579 SNJFVMBWOPGOKD-MRXNPFEDSA-N 360.461 4.284 0 1 FIAF Cc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccccc2F)oc1C 82175559 KPJWRNGCPQLKGU-CQSZACIVSA-N 368.412 4.145 0 1 FIAF C[C@H](N[C@@H](CC(=O)c1ccccc1C(F)(F)F)C(=O)O)c1ccccc1 84604763 WUDYUQXXUZPWMX-LRDDRELGSA-N 365.351 4.082 0 1 FIAF O=C(CCCCCCCCCCc1ccccc1)[C@@H]1C(=O)CC[C@@H](O)C1=O 85910914 YKNFYZLEJAATOF-FGZHOGPDSA-N 372.505 4.218 0 1 FIAF biogenic Clc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1 89454977 TVUIXGOGLUNYIU-UHFFFAOYSA-N 369.896 4.239 0 1 FIAF O=C(CN1[C@H]2CC[C@H]1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 101023310 QYKWQRAFIZLFAO-OALUTQOASA-N 373.855 4.176 0 1 FIAF in-vitro CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 101197676 IWSCITFBDCQRGG-KOGOBGJSSA-N 350.499 4.479 0 1 FIAF O=C(c1cc(Br)c[nH]1)N(Cc1ccc(F)cc1)CC1CCC1 103232595 SPHBAMBQMBFQLI-UHFFFAOYSA-N 365.246 4.359 0 1 FIAF Cn1nc(C(C)(C)C)c(C#N)c1-c1nc2cc(-c3ccccc3F)ncc2[nH]1 141662447 YNMXQIXCOAZNIV-UHFFFAOYSA-N 374.423 4.334 0 1 FIAF O=C(Nc1ccnc(Cl)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142941237 KQNUAZJWXAWJGE-UHFFFAOYSA-N 368.702 4.056 0 1 FIAF CCOc1ccc(C2([C@@H](CC(C)C)NCCOC(=O)CC)CCC2)cc1 199945813 GAWYDFHTJQSNCE-HXUWFJFHSA-N 361.526 4.465 0 1 FIAF CCCCC1CCC(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC1 586883645 FEBRAAXMXOAHII-UHFFFAOYSA-N 363.527 4.277 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1 586915934 JFKNIOSWEXTAAU-DJJJIMSYSA-N 355.825 4.136 0 1 FIAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(CO)cc2[nH]1 586996573 RBRDHCUQCNDURZ-UHFFFAOYSA-N 361.239 4.132 0 1 FIAF COC(=O)c1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1OC 587024094 VLCLXINVAHGCAX-UHFFFAOYSA-N 371.443 4.210 0 1 FIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587069425 KNMHVDUOXZKDLH-QGHHPUGFSA-N 356.813 4.317 0 1 FIAF Cc1nccc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 587116995 PBNZWKLPMFEUEE-UHFFFAOYSA-N 369.778 4.255 0 1 FIAF O=C1c2ccc(O)cc2OC2(CCC3(CC2)COC3)[C@@H]1c1ccc(F)cc1 587361625 ZXNIOVXPPJZKMP-LJQANCHMSA-N 368.404 4.220 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(F)c1F)O2 587381859 MFJTYJOKRRFWTN-ZDUSSCGKSA-N 368.177 4.324 0 1 FIAF COc1cccc(F)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587718085 HPRKQBLWJMCZAI-XYZCENFISA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)ccc2F)N1 587725431 DLHWVAQBMVBYIK-MLXNANBUSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](C3CC3)C2)N1 587819212 UFJZBDBEDIGZSA-AJAPIDPKSA-N 366.274 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC2CCOCC2)N1 587831876 AJGZBHZAFBFDQS-PIGZYNQJSA-N 356.279 4.154 0 1 FIAF CC[C@@H]1C[C@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCO1 587833078 LWPYUHWNMVWEKI-BIMLSOSBSA-N 356.279 4.369 0 1 FIAF CN1C(=O)C[C@H]2CN[C@@H](C(C)(C)Sc3ccccc3)c3cccc1c32 963027380 PZOCNASCBSQORY-VBKZILBWSA-N 352.503 4.352 0 1 FIAF Oc1ccc2c(c1)[C@](c1cc(F)cc(F)c1)(c1ccc(F)c(F)c1)NCC2 963340009 DVIJDBSFRBNGRQ-OAQYLSRUSA-N 373.349 4.386 0 1 FIAF CC(=O)c1ccccc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772603718 LWOYGESKODFZAS-GOSISDBHSA-N 353.349 4.290 0 1 FIAF Clc1cccc(C[C@]2(COc3ccc(Cl)nc3)CCCNC2)c1 1857540409 YNIGZPCPZSOFJT-GOSISDBHSA-N 351.277 4.380 0 1 FIAF COC(=O)[C@@H]1CC[C@H]2c3cc(OC)c4cc(OC)ccc4c3CC[C@]12C 2356405372 RJVUHVSRJUDNRA-IPJJNNNSSA-N 354.446 4.476 0 1 FIAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)[C@@H](NC(=O)C4CCCCC4)CC[C@@]3(C)CC[C@H]12 2356499987 ODXYRJZINXUHHD-CBQQMZQZSA-N 361.526 4.075 0 1 FIAF CN1[C@H]2CC[C@@H]1CC(NC(=O)N1CC3(CCCCC3)c3ccccc31)C2 838082 WFSPCDVWDKOOED-AYHJJNSGSA-N 353.510 4.043 0 1 FIAF COc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2)c2cccs2)cc1 34170611 GYNHAIBLOSNANQ-SFHVURJKSA-N 367.426 4.294 0 1 FIAF OC(O)(CCCCCCc1ccccc1)c1nc(-c2ccccn2)co1 39001796 TYFRKNIHBGHMEV-UHFFFAOYSA-N 352.434 4.067 0 1 FIAF in-vitro COc1ccc(/C=C2/OC(=O)C=C2c2ccc(O)c(Br)c2)cc1 96903519 RMWGZBOMTPESNY-CAOOACKPSA-N 373.202 4.145 0 1 FIAF COc1ccc(OC)c(CNC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c1 103235003 LEVHNHDKFUIBQQ-CRAIPNDOSA-N 371.502 4.299 0 1 FIAF CCC1(CC)C[C@@H](CCOC(=O)c2ccc(Br)cc2)OC1=O 103286427 JFWIGHCRTBMZKM-CQSZACIVSA-N 369.255 4.118 0 1 FIAF COC(=O)C1=CCC[C@@H]2[C@@]1(C)CC[C@@H](C)[C@]21C[C@H](c2ccoc2)OC1=O 238739333 PCYSFZDXGZBRMA-YPULMROTSA-N 358.434 4.200 0 1 FIAF CCCN1N=C2/C(=C/c3ccccc3)C[S@](=O)C[C@@H]2[C@H]1c1ccccc1 299804502 WHBHZFWSLGEPFN-ZWDLCDRTSA-N 364.514 4.271 0 1 FIAF Cc1ccc(NC(=O)Nc2ccccc2F)cc1NC(=O)c1cnoc1C 473249386 WIGSZRZWDBPAGG-UHFFFAOYSA-N 368.368 4.327 0 1 FIAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)s1 587014837 RNBNCHHNRLUHJP-QMMMGPOBSA-N 367.377 4.414 0 1 FIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(C(=O)O)cc2[nH]1 587044859 UXWOQAJZNJXRQR-UHFFFAOYSA-N 367.188 4.252 0 1 FIAF O=C1COc2cc3[nH]c(-c4cc(-n5cccc5)ccc4Cl)nc3cc2N1 587052517 DFPUWGWYIGZENV-UHFFFAOYSA-N 364.792 4.005 0 1 FIAF Fc1cccc([C@@H]2C[C@H]2c2nc3c(Br)ccnc3[nH]2)c1F 587149767 AZHJJOVUKUTDKP-DTWKUNHWSA-N 350.166 4.270 0 1 FIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cccc(O)c3[nH]2)c(O)c1 587240926 RVXWRIOJJHBACG-UHFFFAOYSA-N 373.412 4.131 0 1 FIAF Nc1cc(C(=O)O)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587249264 KHYLJEGONOYNPD-UHFFFAOYSA-N 359.385 4.089 0 1 FIAF C[C@@]1(c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335738 MEILVTLSHPWUNA-IRLDBZIGSA-N 363.388 4.388 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(Cl)o1)[C@@H](C2)C3=O 587411045 BERGPNLTIJATDD-RMLUDKJBSA-N 369.598 4.193 0 1 FIAF C[C@@]1(c2cnc3ccc(Cl)nn23)CC(=O)c2ccc3c(c2O1)CCCC3 587498426 IHJWAAUFHKVYHC-FQEVSTJZSA-N 367.836 4.142 0 1 FIAF COc1c(F)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587722587 STEOSWYGRQQENU-XXFAHNHDSA-N 368.221 4.360 0 1 FIAF COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587731746 ZKORARPRKPZSBX-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF CCCCn1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587762437 DRPATHQQUPAZAE-DIFFPNOSSA-N 366.278 4.208 0 1 FIAF CCC[C@@H]1C[C@@]2(CCO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587831651 IKYODXXCNVLUJR-XTQGRXLLSA-N 356.279 4.297 0 1 FIAF CCc1csc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587856669 YPSHKDXXCFGQEM-RMLUDKJBSA-N 355.276 4.231 0 1 FIAF Cc1ccc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)cc1C 1857596911 MUVQZBXSSIINDK-XMMPIXPASA-N 369.468 4.210 0 1 FIAF Cc1cc2c(c(O)c1Br)C(=O)[C@H](O)[C@]1(C)CC[C@@H](C(C)C)[C@H]21 2356634816 MONXESXAQNTQLQ-KLPXWINUSA-N 367.283 4.176 0 1 FIAF CCOc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1OCC 4079367 PKRHVQZNLQUULK-UHFFFAOYSA-N 372.490 4.010 0 3 FIAF COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(C)s3)C2)cc1OC 60230332 LYOVONCDTDKGKR-INIZCTEOSA-N 359.491 4.169 0 3 FIAF COc1ccc(-c2csc([C@@H](NC(C)=O)c3cccc(OC)c3)n2)cc1 61925767 NTFOPTDUDSYAKW-IBGZPJMESA-N 368.458 4.053 0 3 FIAF CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 3978055 VPGRYOFKCNULNK-LEFKJUFISA-N 372.505 4.267 0 1 FIAF CC(=O)c1cc(OCc2cccc(C(F)(F)F)c2)ccc1OCCCO 28220708 FZYJQIYSVPSTKF-UHFFFAOYSA-N 368.351 4.248 0 1 FIAF O=C(O)c1cccc(CSc2c(O)cc(-c3ccccc3)oc2=O)c1 32016346 KXQAQVRISJETLZ-UHFFFAOYSA-N 354.383 4.003 0 1 FIAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](C/C(C)=C/CC[C@]4(C)OC[C@@H]2C)[C@@H]31 40411898 MDSDQZGJBVBIFN-UYVHVXPJSA-N 362.510 4.129 0 1 FIAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1 43204903 WRBZABSLXIGYJG-LAUBAEHRSA-N 355.526 4.268 0 1 FIAF CN1CCN(C2=Nc3cc(Cl)ccc3CC=C2c2ccccc2)CC1 49650399 ZNPPFZADRXSODA-UHFFFAOYSA-N 351.881 4.257 0 1 FIAF CC[C@@]12CCN(C)[C@@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 84690467 JRMZFWBHWGXMJV-CTNGQTDRSA-N 351.450 4.057 0 1 FIAF O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccccn1 96914414 GQOUJYAHLUXISF-UHFFFAOYSA-N 350.765 4.191 0 1 FIAF CCC[C@@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166284270 GNEIYIMEYDHURY-OAHLLOKOSA-N 351.450 4.153 0 1 FIAF CCCOc1ccc(OCC(=O)COc2ccc(OCCC)cc2)cc1 169334114 JLZGQUNQDKOXSF-UHFFFAOYSA-N 358.434 4.291 0 1 FIAF O=C1Nc2ccc(F)cc2[C@@H](O)C1(Cc1ccccc1)Cc1ccccc1 169346068 GFIREDFCTVLONQ-OAQYLSRUSA-N 361.416 4.283 0 1 FIAF CO[C@@H]1C[C@@H]2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 169365930 DRRFJWRBSWXNFW-JSXRDJHFSA-N 373.443 4.321 0 1 FIAF CN(C)c1ccc([C@H]2CC[C@@H](NC(=O)Nc3cccc4[nH]ncc34)C2)cc1 169704904 UAIXVDDRIGKSCV-JKSUJKDBSA-N 363.465 4.087 0 1 FIAF COc1cccc(NC(=O)Nc2cccc(-c3cccc4[nH][nH]c(=N)c34)c2)c1 473147763 FZGVJGPXFUVCDD-UHFFFAOYSA-N 373.416 4.295 0 1 FIAF CC(C)(SCC(=O)O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586960062 RELLIUOUTPUAQH-UHFFFAOYSA-N 368.764 4.168 0 1 FIAF CCOC(=O)[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587108251 YGZRBSQMXGCWKU-ZDUSSCGKSA-N 357.409 4.114 0 1 FIAF Nc1c(F)c(F)cc(-c2nc3cc(Br)c(F)cc3[nH]2)c1F 587136824 OCJNPGVZXZDYOC-UHFFFAOYSA-N 360.108 4.131 0 1 FIAF CC(C)(C)c1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2n1 587175184 QPDGXTDFUIQDSE-CQSZACIVSA-N 351.429 4.118 0 1 FIAF Oc1ccc(Nc2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)cc1 587242206 JAWWZVQHXSHDKJ-UHFFFAOYSA-N 367.459 4.047 0 1 FIAF CCOC1=C[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353511 QWLLAYSBCGSXEQ-PZJWPPBQSA-N 354.377 4.343 0 1 FIAF COc1ccccc1C[C@@H]1CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587398241 DHSAUBOESSOSJO-AOMKIAJQSA-N 351.446 4.333 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(Br)c1)[C@@H](C2)C3=O 587416421 ASOQTDGDUBSKFB-KSSFIOAISA-N 359.219 4.121 0 1 FIAF CCOC(OCC)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587442469 XMOKFRCCIPZHMX-DYESRHJHSA-N 368.429 4.256 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(CCC(=O)O)cc1)CC2=O 587487692 HMWFWACXHNVEMF-IBGZPJMESA-N 354.402 4.068 0 1 FIAF C[C@]1(c2ccc(C(=O)O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506793 PKKXHLZFLRGXDD-OAQYLSRUSA-N 354.377 4.283 0 1 FIAF O=C1C[C@]2(CCOc3cc(O)c(F)cc32)Oc2c1ccc1c2CCCC1 587508353 PDTSVKYLHWCLEN-NRFANRHFSA-N 354.377 4.053 0 1 FIAF O=C(O)CCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525954 WTRQVOGJQBRHET-FQEVSTJZSA-N 366.413 4.125 0 1 FIAF CC1(C)Cc2[nH]c(=N)sc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587538703 RIZLWQQAEUVEFN-NRFANRHFSA-N 368.502 4.268 0 1 FIAF Cc1cc(Cl)ncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553229 ULIUSTMGSXERTF-FXAWDEMLSA-N 367.788 4.452 0 1 FIAF Nc1ccc(-c2ccc3nc(CCOCc4ccccc4)[nH]c3c2)cc1N 587566427 MIAMQBCRESYYRN-UHFFFAOYSA-N 358.445 4.154 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ncoc2c1 587589219 WIYUOPNEZDNGML-RXVVDRJESA-N 359.337 4.236 0 1 FIAF Cc1cccc(C)c1C(=O)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603721 RDNTZASRYRFELG-AUSIDOKSSA-N 374.392 4.222 0 1 FIAF Cc1cc(O)cc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611262 RTRLDISCARNZGD-UGKGYDQZSA-N 362.381 4.418 0 1 FIAF CCSC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587846765 RPXBAFDQHCIJAN-BJOHPYRUSA-N 360.292 4.007 0 1 FIAF CCc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587852198 FBAXYCTYLLSHEJ-GLEZIHRCSA-N 355.276 4.231 0 1 FIAF Cc1ccc(-c2cnnc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)c(C)c1 587874593 FYTPDRZFRFRGEE-UHFFFAOYSA-N 359.364 4.253 0 1 FIAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(F)cc3F)n2)cc1 587923675 CUOGGLAXAQQQQJ-UHFFFAOYSA-N 366.414 4.127 0 1 FIAF O=C1CS[C@@H](c2ccccc2Br)c2cc(Cl)cnc2N1 653810026 MZMXNGPAQDHQPR-ZDUSSCGKSA-N 369.671 4.272 0 1 FIAF CC1(C)C[C@H](O)CCN1c1cc(-c2ccncc2Cl)nc2cnccc12 1857605034 LWGDBNBMMDOYAJ-CYBMUJFWSA-N 368.868 4.085 0 1 FIAF CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1cc2ccccc2s1 61927239 GAOKCXCPFIMUJJ-HXUWFJFHSA-N 358.507 4.202 0 3 FIAF O=C1C[C@@H]2c3ccccc3O[C@H]3c4cc(O)ccc4-c4c(O)cc(O)c1c4[C@@H]23 899624 DBGJQYIYUBGFLT-QPTLAOIZSA-N 372.376 4.371 0 1 FIAF biogenic CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4Cc5cnoc5N[C@@]4(C)CC[C@@H]32)C1 5711846 OEKPCRMLGNUUCU-LXIBVNSESA-N 370.493 4.496 0 1 FIAF CS(=O)(=O)c1ccc(-c2cc3c(cc2Cc2ccccc2)OCO3)cc1 13530419 VRAXEUOPAYYORT-UHFFFAOYSA-N 366.438 4.077 0 1 FIAF O=C(O)c1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 13588901 OKRVKTSEZMPOFP-UHFFFAOYSA-N 364.184 4.393 0 1 FIAF COc1cc(C)c(CC[C@]2(C)C=Cc3cc(O)ccc3O2)c(C)c1CO 14636905 NSRDRTYZFNOWIH-QFIPXVFZSA-N 354.446 4.307 0 1 FIAF biogenic COc1cc([C@H]2CC(=O)c3ccc(O)cc3O2)cc(CC=C(C)C)c1O 14819255 GZTDFKLABHOHBU-GOSISDBHSA-N 354.402 4.322 0 1 FIAF biogenic,in-vitro COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1C(F)(F)F 27995367 TWKHEGBLHXODET-UHFFFAOYSA-N 350.292 4.496 0 1 FIAF Oc1ccc(-c2nc3cc(O)cc(/C=C\Br)c3o2)c(F)c1 28459957 XOEIPMPQNNQRFN-ARJAWSKDSA-N 350.143 4.411 0 1 FIAF COc1cc2c(cc1OC)[C@@H](C[C@@H](O)c1ccc(Cl)cc1)N(C)CC2 28523256 MSXJZHUTIDWQBZ-QZTJIDSGSA-N 361.869 4.010 0 1 FIAF Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(CC(=O)O)cc2)cc1 28710933 YIHZHITVXJHIPE-UHFFFAOYSA-N 360.335 4.494 0 1 FIAF Cc1ccccc1NC(=O)C(Br)(C(F)(F)F)C(F)(F)F 33945425 WYLRPDPIPMVXEA-UHFFFAOYSA-N 364.083 4.192 0 1 FIAF biogenic Cn1ccc(Nc2ncnc3ccc(Oc4ccc(F)cc4F)cc23)n1 35930642 REXDHEBHLNGIGV-UHFFFAOYSA-N 353.332 4.177 0 1 FIAF Cc1nonc1CN[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 45245744 MALQOZUEYJBQGA-GOSISDBHSA-N 365.481 4.028 0 1 FIAF CC(=O)Nc1ccc2oc(-c3cccc(C(F)(F)F)c3)c(O)c(=O)c2c1 58581589 VMSQLBPUSIPSEE-UHFFFAOYSA-N 363.291 4.143 0 1 FIAF O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1c(F)cccc1F 84615699 AICUJWQOAAPVKF-UHFFFAOYSA-N 367.380 4.186 0 1 FIAF CC1=Nc2ncnn2[C@@H](c2ccccc2C)/C1=C(/O)OCc1ccccc1 103531245 ZRTOREBRCGBYNN-HQMFNGAOSA-N 360.417 4.268 0 1 FIAF CCC(S)(CC)C(=O)C[C@@H](Cc1ccc(Br)cc1)C(=O)O 219770998 HJWDHLGHCCMJEG-GFCCVEGCSA-N 373.312 4.140 0 1 FIAF CCCCN1N=C2/C(=C/c3cccnc3)CSC[C@@H]2[C@H]1c1cccnc1 253700401 WOTJSQHJCFYICK-SOFAXXMGSA-N 364.518 4.436 0 1 FIAF COC[C@H](C(C)C)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1 299827637 GPWGZNUXPKWZDK-MRXNPFEDSA-N 360.450 4.166 0 1 FIAF Ic1cccc2nc(/C=C\c3ccsc3)[nH]c12 587024716 AYCCXJXYNSEVPF-PLNGDYQASA-N 352.200 4.399 0 1 FIAF Fc1cc2[nH]c(C[C@H]3OCCc4ccsc43)nc2cc1Br 587035362 PHXUHTSTROGOGP-CYBMUJFWSA-N 367.243 4.383 0 1 FIAF Cc1c(F)ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12 587060551 IQSXKYQZOGQGIK-UHFFFAOYSA-N 353.788 4.200 0 1 FIAF Fc1c(Cl)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1F 587076874 XYMMNXGGFGVEFE-UHFFFAOYSA-N 366.158 4.396 0 1 FIAF FC(F)(F)COc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)ccn1 587092718 ZIWUUTMAKRQBEH-UHFFFAOYSA-N 363.126 4.268 0 1 FIAF COc1cc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2cc1OC 587095627 NPCGCNCJALTLTM-UHFFFAOYSA-N 350.340 4.498 0 1 FIAF Cc1cc(Br)c2[nH]c(/C=C/C(=O)Nc3ccccc3)nc2c1 587244161 LUYXMJFAVBKFFH-BQYQJAHWSA-N 356.223 4.286 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1cccc(Br)c1)O2 587378668 WQMKWNHFVDDAJT-SFHVURJKSA-N 360.251 4.306 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc4ccc(Cl)cc4n1)[C@@H](C2)C3=O 587424451 ZOTPOZNIIMYQNH-XOBRGWDASA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1N1CCCC1)[C@@H](C2)C3=O 587425969 JAWCUPQWYBEMGU-HTAPYJJXSA-N 367.420 4.097 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Br)n1)CC2=O 587459913 QNRGPPJERYOQJJ-HNNXBMFYSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-n1ccnc1)CC2=O 587470262 JSTFFOGAOGREEK-QFIPXVFZSA-N 362.429 4.411 0 1 FIAF COC1=C(Br)[C@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587501200 ZRHDMZBAUMKZLH-SFHVURJKSA-N 363.251 4.316 0 1 FIAF CCOC(=O)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587531451 KJFLAYLQEJQDAY-FQEVSTJZSA-N 356.443 4.051 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2F)N1 587731287 YWLNMXGGBUPDHI-ZKANADHPSA-N 354.194 4.057 0 1 FIAF CC(C)n1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587762560 FWUNLIOLVYYPNW-GTNSWQLSSA-N 366.278 4.163 0 1 FIAF Cc1cccn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 587775279 QJPLDWAKWGJFFV-GTNSWQLSSA-N 374.257 4.168 0 1 FIAF CC(=O)CC[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815110 YNZORHPIMRTJFT-APPDUMDISA-N 356.279 4.343 0 1 FIAF CC[C@@]1(c2cccc(O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587833260 MQJLLRFRKLZJKX-ZMZPIMSZSA-N 364.258 4.482 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1F 587861673 WNSHRVZQEYYERU-UHFFFAOYSA-N 364.298 4.405 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C)c(F)c1 587868807 TVNHEPGNALSVJC-UHFFFAOYSA-N 351.303 4.409 0 1 FIAF Cn1cc(-c2ccc3ncnc(Oc4ccc5ncccc5c4)c3c2)cn1 653831394 OJYIBVJBYNIJJA-UHFFFAOYSA-N 353.385 4.371 0 1 FIAF Cc1ccc([C@]2(C)NCCc3c2c(C(C)C)nn3C)c(F)c1C(F)(F)F 962911040 OBGBGIJAQURNTH-SFHVURJKSA-N 369.406 4.419 0 1 FIAF O=C(O)CNC(=O)CCC/C=C\CCCCCCC/C=C\CCCCO 1857548138 PKKJPSUCLIPJBG-WGEIWTTOSA-N 367.530 4.363 0 1 FIAF O=C1c2cccc3cccc(c23)C(=O)N1CCc1ccc2ccccc2n1 1857548493 WREBNPYNYQMHLW-UHFFFAOYSA-N 352.393 4.227 0 1 FIAF CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@H](C)[C@@H]2CC[C@@H]34)C1 2356412730 YSQXNYTXRLVCMC-UNELTAJISA-N 372.597 4.464 0 1 FIAF CO[C@@H]1C=C(CC[C@@]2(C)[C@@H]3CCC=C(C)[C@@]3(C(=O)O)CC[C@H]2C)C(=O)O1 2356520811 ZSKQNYQQCWYYSU-YFDDECCXSA-N 362.466 4.086 0 1 FIAF C=C(c1cc(Cl)nc(SC)c1)c1ccc2c(c1)c(C(N)=O)cn2C 2382217920 MXDUNFITDHYJPI-UHFFFAOYSA-N 357.866 4.109 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[C@H](C)[C@@H](C)C2=O 14447721 AQILVQJBVWGDOL-FKANQGBASA-N 354.402 4.033 0 1 FIAF biogenic,in-vitro CCCCNC(=O)c1c[nH]c(=S)n1[C@@H](CC)c1ccc(F)c(F)c1 28337587 FMDPWUXMCGNQKQ-AWEZNQCLSA-N 353.438 4.353 0 1 FIAF Cc1cc(Nc2ccc3nc(-c4ccc(F)cc4)cc(N)c3c2)nc(N)n1 95576687 JTUJIKFOCSJMDW-UHFFFAOYSA-N 360.396 4.047 0 1 FIAF Cc1cccc(-c2ccc(C(=O)O)c(NS(=O)(=O)c3ccccc3)c2)c1 103239718 XALULCUGGPZGDV-UHFFFAOYSA-N 367.426 4.161 0 1 FIAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cc(F)cc(F)c3CC[C@H]21 117629510 QQXUKQJRPQLZTL-MGPUTAFESA-N 367.399 4.176 0 1 FIAF CCN(CC)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148191980 ILSZZMKHOBUUOW-UHFFFAOYSA-N 362.433 4.495 0 1 FIAF O=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(F)cc1 167126771 IBTQNXVJBPKEQU-UHFFFAOYSA-N 352.413 4.444 0 1 FIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCCN3C(C)=O)cc12 226060454 KEEQEQWRCBFXKG-GOSISDBHSA-N 353.397 4.061 0 1 FIAF Cc1cccc(S(=O)(=O)N2CCCc3cc(-c4cccnc4)ccc32)c1 299820632 DFVZBAFHNYUQMR-UHFFFAOYSA-N 364.470 4.199 0 1 FIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Cl)cc2[nH]1 586972613 IZNFMVUTYRWLTL-KRWDZBQOSA-N 359.882 4.327 0 1 FIAF Ic1cccc2nc(/C=C/c3ccsc3)[nH]c12 587024719 AYCCXJXYNSEVPF-SNAWJCMRSA-N 352.200 4.399 0 1 FIAF CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)ccc1OC(F)F 587131184 WBAZZINLAMDLLX-GQCTYLIASA-N 374.343 4.462 0 1 FIAF Fc1cc(Br)cc(-c2nc3ccc(Br)nc3[nH]2)c1 587161260 OBQUDJVBLGITFZ-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF Fc1ncc(Br)cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587178036 MOPAPGVGCMMFES-UHFFFAOYSA-N 362.536 4.458 0 1 FIAF CC(C)(C)OC(=O)NC1(c2nc3cccc(Cl)c3[nH]2)CCC(=O)CC1 587235783 SYOBDZUIDPFHPC-UHFFFAOYSA-N 363.845 4.079 0 1 FIAF Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587251820 OWZPRZKFDBJERC-UHFFFAOYSA-N 351.303 4.119 0 1 FIAF CC(C)N1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587344321 NJFRWYLPZKMONO-IFMALSPDSA-N 369.436 4.133 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(Br)cc1C)O2 587381887 MQBLZFGHHKOWEL-MRXNPFEDSA-N 364.214 4.494 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(F)c1 587567727 BMTMBKHSESTBNU-FXAWDEMLSA-N 354.308 4.373 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2ccccc12 587587539 GZOAHTQBCLUCPD-NQIIRXRSSA-N 373.364 4.282 0 1 FIAF C[C@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592346 YBLLSYWZRUMNEI-PGRDOPGGSA-N 372.380 4.146 0 1 FIAF CCC(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587621818 KJZBZQWZOVHILR-UHFFFAOYSA-N 360.133 4.418 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 587781921 ZCIPWIGLHTXKRS-YVMONPNESA-N 356.809 4.233 0 1 FIAF FC(F)(F)c1cc(Br)c2[nH]c(CCOCC3CC3)nc2c1 587783754 GSPWLPJXAULMBQ-UHFFFAOYSA-N 363.177 4.313 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)COC3)N1 587834206 JXDOUAZCJMGPDJ-YPMLDQLKSA-N 362.242 4.242 0 1 FIAF O=C1CCC(c2ccccc2)(c2nc3c(Br)ccnc3[nH]2)CC1 587970430 HGINMMGOWPVTEO-UHFFFAOYSA-N 370.250 4.150 0 1 FIAF CCOC(=O)c1nc([C@@H]2N[C@H](CC)Cc3c2[nH]c2ccccc32)sc1C 962955708 XZLXTJUNMBGQEX-KZULUSFZSA-N 369.490 4.123 0 1 FIAF CCCC[C@]1(c2ccco2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957667 CFZXWKHUUZJDIG-SCLBCKFNSA-N 369.795 4.244 0 1 FIAF Cc1ccc2c(c1)C(=O)[C@@]1(NCCc3ccc(O)cc31)[C@@H](c1ccccc1)O2 963342703 SCZSXZZTNRNYDT-DNQXCXABSA-N 371.436 4.058 0 1 FIAF O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc(F)c1 1857584285 HVTXRORQGFKKQP-UHFFFAOYSA-N 368.389 4.435 0 1 FIAF CC(=CC(=O)O)CC[C@@H]1[C@@H](C(C)(C)O)CC[C@]1(C)CC=C(C)C(=O)O 2356452265 KPQXJVQFJZUGRC-YRNRMSPPSA-N 352.471 4.022 0 1 FIAF COc1ccc([C@](C)(O)c2nc(-c3ccc(N(C)C)cc3)cs2)cc1 61930911 RXZGZRPFYWUJAY-FQEVSTJZSA-N 354.475 4.141 0 3 FIAF Cc1cn2c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)nc2s1 3814812 OHQNIGDRIIRUFS-UHFFFAOYSA-N 368.483 4.442 0 1 FIAF O=C1c2c(nc3ccccc3c2-c2ccccc2)CN1Nc1ccccn1 12940238 IHVCHYSBJJENRE-UHFFFAOYSA-N 352.397 4.280 0 1 FIAF COc1ccc2c(c1)O[C@@H]1c3c(cc4c(c3OC)C=CC(C)(C)O4)OC[C@H]21 14613206 NURXAZUGLCCIRI-VFNWGFHPSA-N 366.413 4.498 0 1 FIAF biogenic CCCCC[C@@H](O)C(Br)=C(Br)Br 14769660 OMXFNJKEFPNNIB-ZCFIWIBFSA-N 364.903 4.281 0 1 FIAF biogenic O=C(Nc1cccc(N2CCC(NCC3CCCCC3)CC2)c1)C1CC1 14982307 ZDSSUVGVXJDXEJ-UHFFFAOYSA-N 355.526 4.174 0 1 FIAF CN1CCC[C@@]12CCCC[C@@H]2NC(=O)Cc1ccc(Cl)c(Cl)c1 28256979 ACJWWDOSBNCLFC-FUHWJXTLSA-N 355.309 4.059 0 1 FIAF O=C(Nc1c(O)cccc1-c1nc2c(C(=O)O)cccc2o1)c1ccccc1 40862322 VBLLBHXPFURJSP-UHFFFAOYSA-N 374.352 4.151 0 1 FIAF COc1ccc([C@@H](O)CN[C@@H](C)CCc2ccccc2)cc1C(F)(F)F 45226733 WEPWGSSSKNZVNI-KSSFIOAISA-N 367.411 4.358 0 1 FIAF COc1cccc2c(NCCN3CCN(C4CCCCC4)CC3)cccc12 66074380 VWZXLABWDKMFBY-UHFFFAOYSA-N 367.537 4.211 0 1 FIAF COc1ccc(Oc2nc(NC3CCCCC3)nc(N(C)C(C)C)n2)cc1 82067215 HONPKCNUVNTHQH-UHFFFAOYSA-N 371.485 4.262 0 1 FIAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(Oc2cccc(Cl)c2)CC1 103269137 IIOKXFGXIAREAT-UXHICEINSA-N 370.880 4.449 0 1 FIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]21C[C@H](c2ccoc2)OC1=O 105463018 PCYSFZDXGZBRMA-UMMCAFOLSA-N 358.434 4.200 0 1 FIAF biogenic C/C(=C\CCC1=CCOC1=O)C/C=C/[C@@]1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1 139048564 UWXJDRWZPZOIOX-IXTRLJNLSA-N 374.477 4.176 0 1 FIAF C[C@H]1NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21 143427493 GQWJTCJISZNVKV-LLVKDONJSA-N 361.850 4.126 0 1 FIAF CC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 146956940 IAPPMVYMEDGDEU-UHFFFAOYSA-N 350.506 4.391 0 1 FIAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2cncnc2)c1 218300880 LATMOTMVCJOZNX-FQEVSTJZSA-N 358.401 4.003 0 1 FIAF CC(=O)OC/C(=C/CO)[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 238743976 FGEVYIKISBOJQP-BSFHOQSUSA-N 364.526 4.258 0 1 FIAF CO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C(=O)[C@@H](C)[C@H]2C(C)(C)CCC[C@@]23C)CO1 238762572 UPPVCQPPDGQFKZ-KCWVLWEZSA-N 364.526 4.355 0 1 FIAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)c(F)cc2[nH]1 586907692 NVJQMSNHDPUBJY-QMMMGPOBSA-N 363.186 4.045 0 1 FIAF N[C@H](Cc1nc2cccc(Cl)c2[nH]1)c1ccc(Br)cc1 586997118 NDALIZHBBMJHMX-GFCCVEGCSA-N 350.647 4.221 0 1 FIAF Fc1cc(Cl)cc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007777 RIFKLXYVZVSYCV-UHFFFAOYSA-N 365.593 4.433 0 1 FIAF O=C1CSc2ccc(-c3nc4cccc(Br)c4[nH]3)cc2N1 587044174 QYXAASZWSOHPGE-UHFFFAOYSA-N 360.236 4.037 0 1 FIAF Clc1ccc(-n2cccc2)cc1-c1nc2nc(Br)c[nH]c-2n1 587049406 IBKOPQFOKXJVMG-UHFFFAOYSA-N 374.629 4.178 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@H](C)Oc3ccc(F)cc3)nc12 587167966 BJCWICFWFVBOQX-VIFPVBQESA-N 350.191 4.308 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1F)O2 587381028 FIMOGPNSMZXZKG-HNNXBMFYSA-N 350.187 4.185 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC(F)(F)F)c1 587381626 HHIKQRMJCVBABS-HNNXBMFYSA-N 367.323 4.191 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)cs1)[C@@H](C2)C3=O 587453361 RWLQVNKBUQAWMX-ZUZCIYMTSA-N 351.221 4.008 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1coc3ccc(F)cc3c1=O)CC2=O 587472456 QVZWLIXDEPENOF-LJQANCHMSA-N 368.360 4.297 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCC3(CC1)OCC(C)(C)CO3)CC2=O 587493714 VEKJQDAVWMYVIA-UHFFFAOYSA-N 374.477 4.392 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCO2 587612476 UXMNKYCRINGHKG-KNQAVFIVSA-N 360.365 4.030 0 1 FIAF Cc1cc(O)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587834805 SZJJRSRSOUEMOL-BTDLBPIBSA-N 350.231 4.226 0 1 FIAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 1772574185 NMPYWXGKSPVWML-FOIQADDNSA-N 372.896 4.237 0 1 FIAF O=C(Nc1nc2cc(-c3ccccc3)ccn2n1)c1ccc(F)cc1Cl 1857562753 WVTZHUBOKVZTSS-UHFFFAOYSA-N 366.783 4.441 0 1 FIAF COc1ccc(-n2nc(C)c3c(-c4ccc(O)c(OC)c4)ccnc32)cc1 1857594883 BFSBXCQBJILJSI-UHFFFAOYSA-N 361.401 4.119 0 1 FIAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 2356316006 WBBBSXCZAMJSLC-NLWGTHIKSA-N 369.509 4.192 0 1 FIAF C[C@]12CC=C3C4=C(CC[C@@H]3[C@@H]1CCC21OCCO1)CC1(CC4)OCCO1 2356862896 VCJRIJKZDDFALD-UFYCRDLUSA-N 358.478 4.110 0 1 FIAF FC(F)(F)c1cccc(-c2ccc(CN3CCN4CCC3CC4)o2)c1 2382242206 VLZQIFFVURQTBI-UHFFFAOYSA-N 350.384 4.245 0 1 FIAF Cn1cc(-c2ccc(C(=O)NCc3cccc(Cl)c3)c3occc23)cn1 61925827 HTPQRGMHRITCAE-UHFFFAOYSA-N 365.820 4.417 0 3 FIAF COC(=O)c1c(-c2ccc(OC)cc2)sc2cc(OC)c(OC)cc12 61969036 XWZJNJWDHYUQJX-UHFFFAOYSA-N 358.415 4.381 0 3 FIAF COc1ccc(/C=C2\C[C@@]3(OC(=O)C4CCCCC4)CCCN2C3)cc1 96018938 VUZLAPLOMDSRAL-SLTDHEAWSA-N 355.478 4.398 0 3 FIAF O=Cc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C=O)c3C1)CCC4)CCC2 1855672 ITSVOCHDTFUUAB-UHFFFAOYSA-N 356.465 4.173 0 1 FIAF CN(C)C(=O)c1ccccc1Sc1ccc(Br)cc1C=O 13472745 LRNWIRRKOVFMLF-UHFFFAOYSA-N 364.264 4.115 0 1 FIAF CC1(C)CC(C)(C)c2nc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cnc21 26822504 MGMHMBGBHIGPBP-UHFFFAOYSA-N 373.840 4.039 0 1 FIAF COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2)n1 82162512 JTMDLIAOANZVOM-UHFFFAOYSA-N 354.479 4.332 0 1 FIAF CCc1cc(Nc2ccc3nc(-c4ccc(F)cc4)cc(N)c3c2)nc(N)n1 95574168 LCWHMTIZFCMOFW-UHFFFAOYSA-N 374.423 4.301 0 1 FIAF CC1=N[C@@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1CC21CCC1 169708689 MKLSHCVZEOAEFB-HXUWFJFHSA-N 350.853 4.113 0 1 FIAF CCCC[C@H](O)C1=CC[C@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@@H]3C1 194997547 DJYWGBMTZMYDEB-MLCQCVOFSA-N 355.522 4.081 0 1 FIAF O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 299848783 XFLZELRWIBAHQY-NJYVYQBISA-N 363.457 4.052 0 1 FIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 586947697 AXFYTDQHAITXMP-UHFFFAOYSA-N 367.833 4.173 0 1 FIAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C(C)(C)C)nc2[nH]1 587067361 WFCOVBOCVYKCNO-UHFFFAOYSA-N 373.840 4.309 0 1 FIAF FC(F)(F)CCc1ocnc1-c1nc2ccc(Br)cc2[nH]1 587092159 NBXICLYWVLCGGI-UHFFFAOYSA-N 360.133 4.475 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@]2(Cc3nc4cccc5c4c(c3C2)CC5)C1 587212824 RBTGJBMTGATLMH-QFIPXVFZSA-N 350.462 4.059 0 1 FIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cn1 587244654 HOELFISRKUBZBH-UHFFFAOYSA-N 351.454 4.302 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(NC(=O)OC(C)(C)C)nc1)O2 587388374 BIOPTSOYMGACQN-INIZCTEOSA-N 369.421 4.026 0 1 FIAF COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)CC(C)(C)O2 587410931 HLZWMHHGKIFFPP-NRFANRHFSA-N 353.418 4.008 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)c4ccccc4)nc1)[C@@H](C2)C3=O 587430128 RJQCNBJHDRLWHV-MBSDFSHPSA-N 372.424 4.347 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4cccnc4)c1)[C@@H](C2)C3=O 587435601 HKLAEOZRUBESNV-CVDCTZTESA-N 373.408 4.158 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccoc1Br)CC2=O 587458760 LDWMILRXVAOAHH-CQSZACIVSA-N 351.196 4.407 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1Cl)OCO3)CC2=O 587460724 HLJQYJLPPRWEKF-INIZCTEOSA-N 360.793 4.433 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(C(=O)O)c1)CC2=O 587462958 RWTBREUAZTYGFD-KRWDZBQOSA-N 360.793 4.403 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3ccc(Cl)cc31)CC2=O 587463894 ZPWSAAFGXBDASH-HXUWFJFHSA-N 372.804 4.168 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587517963 YBRHDGDANLJOTC-HNAYVOBHSA-N 371.477 4.156 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCCC(F)(F)F 587547485 LOWWQELJQIALOP-ZFWWWQNUSA-N 352.308 4.455 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)COC2 587606507 DLFABTFOQFFDPC-KNQAVFIVSA-N 360.365 4.125 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CF)n2)N1 587714020 DVNXJSDGPKDYEO-XXFAHNHDSA-N 353.210 4.076 0 1 FIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(OC(C)C)ccc3[nH]2)cc1 587783809 ARBZUKKDSRJSPZ-IAGOWNOFSA-N 350.418 4.294 0 1 FIAF NC(=O)c1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784590 SAJAXMONFCFDKW-SDNWHVSQSA-N 369.424 4.411 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)C2(C)C)N1 587816948 GIOASOKUKHLOCX-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF Cc1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587854788 UAZAMMSQKOIBHN-WJWGPLDTSA-N 355.276 4.285 0 1 FIAF CCc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587856202 WSBCWIVFIGKHRY-RTHLEPHNSA-N 355.276 4.231 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cccc(F)c1 587870769 QYAOYVUCJNZPDS-UHFFFAOYSA-N 359.401 4.472 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@]3(C)c3ccccc3OC)nc2c1 587931108 QSXWFAAOYSSPRY-ZUOKHONESA-N 370.836 4.457 0 1 FIAF Cc1cc2c(cc1F)[C@@](CC(=O)c1ccc(F)cc1)(C(F)(F)F)NCC2 962085734 ADGPEXPUOQAOEM-SFHVURJKSA-N 369.333 4.450 0 1 FIAF NCc1ccc2c(c1)[C@@]1(CCC2)c2ccsc2CCN1Cc1ccco1 962702705 GKIYAAZEYLONLM-JOCHJYFZSA-N 364.514 4.438 0 1 FIAF c1cncc(CN2CCc3sccc3[C@]23CCc2[nH]c4cccnc4c23)c1 962999902 ZRWHDJMMVSXECV-QFIPXVFZSA-N 372.497 4.268 0 1 FIAF COCCCOc1ccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1 963097814 HRTAGWFACNLZGA-PGRDOPGGSA-N 355.453 4.351 0 1 FIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CC=C(c3ccccc3)CC2)N1 963226707 PMPONXKRZIVZDK-UPVQGACJSA-N 370.452 4.297 0 1 FIAF CN1CCc2c(Br)cccc2[C@@H]1c1cccc(O)c1Cl 963279313 GTSREULRSDYRGK-MRXNPFEDSA-N 352.659 4.385 0 1 FIAF CCN(CC)CCOc1ccc(/C=C/C(=O)Nc2ccccc2)cc1OC 1772603606 BBYZVSNUMPLANP-WYMLVPIESA-N 368.477 4.068 0 1 FIAF O=C(O)CC[C@H]1CCc2cc(-c3nc(OC4CCC4)ccc3F)ccc2O1 1772638869 BRPCAFPEVVYTLN-MRXNPFEDSA-N 371.408 4.377 0 1 FIAF Nc1ccccc1NC(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 1857634901 LIYQACIRFGXYBN-KNQAVFIVSA-N 357.457 4.167 0 1 FIAF Nc1ccccc1NC(=O)c1ccc(CSC(=S)N2CCCC2)cc1 1857654149 YKPJHYSPOLFVRI-UHFFFAOYSA-N 371.531 4.135 0 1 FIAF CCCC(=O)c1c(O)c(C=O)c2c(c1O)C[C@@H]1C[C@H](C(C)C)C=C[C@]1(C)O2 2356538053 PQFNMBGRBKEIGP-QLEMLULZSA-N 372.461 4.435 0 1 FIAF CCN1C=Cc2cc(OC)c(OC)cc2[C]1Cc1ccc(OC)c(OC)c1 2356830606 MEPUVGNHNAMLAK-UHFFFAOYSA-N 368.453 4.150 0 1 FIAF Clc1ccc(CSc2nnc(Cn3cnc4ccccc43)o2)cc1 877638 WKLPJFOCHXMHHO-UHFFFAOYSA-N 356.838 4.413 0 3 FIAF Cc1csc2nc(-c3ccccc3)c(-c3ccc(S(C)(=O)=O)cc3)n12 838696 LSDIWADROFPVND-UHFFFAOYSA-N 368.483 4.442 0 1 FIAF CC[C@@H](CCc1ccc(O)c(OC)c1)OC(=O)NCCc1ccccc1 13489524 CHCHVSVVTCRTAN-SFHVURJKSA-N 357.450 4.081 0 1 FIAF Cc1ccc(CCCNC(=O)Cc2ccc(O)c(OC(C)C)c2)cc1C 13648927 MOCGDONUGSBCCV-UHFFFAOYSA-N 355.478 4.088 0 1 FIAF COc1ccc(C2=C(c3ccc(O)cc3)CN3CCC[C@H]3C2)cc1OC 14696008 JOMCLUGDXHCAGV-KRWDZBQOSA-N 351.446 4.188 0 1 FIAF biogenic,in-vitro C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1c1ccccc1)OCO3 29567827 POBOTIWAVDGETE-OAHLLOKOSA-N 371.440 4.201 0 1 FIAF CCS(=O)(=O)c1ccc2oc(Cc3ccc4ccccc4c3)nc2c1 59096835 BKJIMPTYMVLWJX-UHFFFAOYSA-N 351.427 4.365 0 1 FIAF Cc1cc(-c2ccccc2)nc2c(C(=O)Nc3ccc4c(c3)CCC4)cnn12 66102863 GORNGWMUZPULFD-UHFFFAOYSA-N 368.440 4.446 0 1 FIAF Fc1ccc(N2CCN(CCCCn3ccc4ccccc43)CC2)cc1 72120024 KRXYVKJBVSRNHI-UHFFFAOYSA-N 351.469 4.383 0 1 FIAF CCCCCOc1ccc(CCc2cccc(O)c2C(=O)O)cc1[C@@H](C)O 82157995 YDTRYOKFPJRYRF-OAHLLOKOSA-N 372.461 4.498 0 1 FIAF COCCn1c(-c2ccsc2)nc2c(NC3CCCCCC3)ncnc21 82190073 YDDWLBYPMCHAGN-UHFFFAOYSA-N 371.510 4.336 0 1 FIAF COc1cc([C@@H]2c3cc4c(cc3C[C@@H](C)[C@H]2C)OCO4)cc2c1OCO2 86042482 WMPUHRROBOWDAU-FKANQGBASA-N 354.402 4.113 0 1 FIAF biogenic CCNC(=O)/C=C/c1c(/C=C/c2ccc(OC)cc2)cc(OC)cc1OC 95588903 YJCAZHSMJLTVQV-UXKPLKHMSA-N 367.445 4.032 0 1 FIAF c1ccc2c(c1)[C@@H]1CC(c3ccncc3)(c3ccncc3)[C@@H]2c2cccc[n+]21 101284350 SKTSCYWZNYDPSU-ZEQRLZLVSA-N 362.456 4.189 0 1 FIAF NCCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1 149786606 SSKKPZIWGIQQGD-UHFFFAOYSA-N 370.861 4.270 0 1 FIAF CCOC(=O)c1c(CSc2ccccc2OC)n(C)c2ccc(O)cc12 169345892 BZESMUMEZWBSIA-UHFFFAOYSA-N 371.458 4.362 0 1 FIAF CCN(CC)c1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1F 169351832 NURLGXHVNNNBSP-UHFFFAOYSA-N 367.468 4.365 0 1 FIAF Cc1cc2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2c(C)n1 586914483 RLLDHROMEUWYDO-UHFFFAOYSA-N 359.385 4.343 0 1 FIAF N[C@@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1Cl 587056650 KEIHXOWAZZIFKV-LBPRGKRZSA-N 368.637 4.360 0 1 FIAF Cc1nc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2cc1Br 587079164 AKSLSYDCLNSGDJ-CYBMUJFWSA-N 364.630 4.358 0 1 FIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587094087 JNHKDDYQTOCGHV-YFKPBYRVSA-N 373.684 4.365 0 1 FIAF Fc1c(F)c(F)c(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)c(F)c1F 587134446 LNPNPBPVZHLIJO-OWOJBTEDSA-N 354.234 4.158 0 1 FIAF Cc1cncc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183082 AOQFZGHURGHHGG-AATRIKPKSA-N 361.186 4.041 0 1 FIAF COc1nccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c12 587196537 ZXKHPKMKCYUSQG-UHFFFAOYSA-N 368.437 4.313 0 1 FIAF CCN(CC)CCOc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587386836 LQVDLJXJFCLMMU-NRFANRHFSA-N 368.477 4.004 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(Cc3cccnc3)c1C)O2 587389840 NKZPVCDKRJMIGV-NRFANRHFSA-N 361.445 4.145 0 1 FIAF CC[C@H](C)Oc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401470 RGYMLNDAWPTALJ-ORAYPTAESA-N 355.434 4.470 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)s1)O2 587411787 VSWPHCYZZXWTFC-OAHLLOKOSA-N 352.253 4.282 0 1 FIAF C[C@](O)(C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587529886 RIXTWSRUHAGHOF-HUXKZTDGSA-N 354.490 4.477 0 1 FIAF C[C@]1(c2ccc3c[nH]nc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595006 MFRHAQIQNWWKOJ-DENIHFKCSA-N 372.380 4.146 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1NCC2 587597911 WSLDQDJYPZRJNR-GCJKJVERSA-N 359.381 4.063 0 1 FIAF Cc1cccc2c1OCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608101 JOUNFZKVVYEWMS-XXBNENTESA-N 374.392 4.340 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2Cl)N1 587693102 CQRZGZAXYMUWJY-XXFAHNHDSA-N 369.665 4.434 0 1 FIAF Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587795489 XONKZJLFAAMOIF-APPDUMDISA-N 351.263 4.331 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2C=O)N1 587815199 KQBUCBSSMYHMJY-BBATYDOGSA-N 362.242 4.198 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)OC2(C)C)N1 587835634 WUBNYYRWQIGNOI-BTDLBPIBSA-N 356.279 4.295 0 1 FIAF C=C(c1cnccn1)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587864583 MGEUWGUTZCSXKW-UHFFFAOYSA-N 360.339 4.277 0 1 FIAF COc1ccc(C[C@@]2(C)c3ccsc3CCN2Cc2ccco2)cn1 962705256 KSYTXKAOCJDHQH-FQEVSTJZSA-N 354.475 4.261 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(N(C)C)ccnc2Cl)N1 962963882 XGLMJXXEQSHTSA-CWTRNNRKSA-N 354.885 4.296 0 1 FIAF O=NC=C1C=CN(CCCN=c2c3c([nH]c4ccccc24)CCCC3)C=C1 1857558334 VHPMCIJBIJAECE-UHFFFAOYSA-N 360.461 4.331 0 1 FIAF COC(=O)c1cccc(OCc2oc(-c3cccc(OC)c3)nc2C)c1 1857638837 GIRBBNOMYMMYEM-UHFFFAOYSA-N 353.374 4.024 0 1 FIAF CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4COC[C@]4(CCC(=O)O)C3=CC[C@]12C 2356324887 LTMONJJANNHFRQ-LLAJYAIDSA-N 358.478 4.156 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]12C 2356624412 WUDCXBJIWCDVSH-DOSYZEEDSA-N 364.526 4.016 0 1 FIAF N=C(N)c1ccc2oc(CCCCc3cc4cc(C(=N)N)ccc4o3)cc2c1 1909521 QHINHDSHVBPASN-UHFFFAOYSA-N 374.444 4.313 0 1 FIAF O=C(c1ccncc1)c1c(Nc2ccc(F)cc2)[nH]c(=O)c2ccccc12 4095304 QWCXCICTJHWJCC-UHFFFAOYSA-N 359.360 4.037 0 1 FIAF Cc1ccc(N2C[C@@H](c3nnc(Cc4ccccc4Cl)o3)CC2=O)cc1 6823032 YDJJDHOUJJDWJQ-HNNXBMFYSA-N 367.836 4.143 0 1 FIAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@@H]3CCOC3=O)[C@H](C)CC[C@@H]12 13780202 ZRFBDZGXQIKFNC-PRRWYNNDSA-N 350.499 4.362 0 1 FIAF Nc1cccc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)c1 28570836 KKUHZTLGKWLPKE-UHFFFAOYSA-N 367.405 4.040 0 1 FIAF O=C(NCC1CC1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F 28645354 FOXCLBURPNPMCG-UHFFFAOYSA-N 370.762 4.032 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N[C@@H](C)Cc2cc3ccccc3[nH]2)c(C)c1 28820756 QWBRITHMFPFPNY-INIZCTEOSA-N 356.491 4.003 0 1 FIAF Cc1ccc(N(Cc2ccccc2)C(=O)O[C@H]2CN3CCC2CC3)cc1 34021701 SNNFRAGGSGAUHH-NRFANRHFSA-N 350.462 4.232 0 1 FIAF CNC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(CC1CCC1)CC3 36221682 NHTWPKUCTUYFEM-KJXAQDMKSA-N 368.521 4.263 0 1 FIAF in-vivo COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c(Cl)c1OC 73195627 ZANILPZAQMDJSY-UHFFFAOYSA-N 361.612 4.311 0 1 FIAF Cc1ccc(S(=O)(=O)c2c(N)c3ccccc3c3sc(C)nc23)cc1 84758668 XLQLAZYQZVXBDC-UHFFFAOYSA-N 368.483 4.481 0 1 FIAF Cc1ccc(-c2c(C)nn3c(NCCN(C)C)cc(C(C)C)nc23)cc1 95558567 PSRSUYDZIBWNQR-UHFFFAOYSA-N 351.498 4.110 0 1 FIAF COP(=O)(OC)[C@@H](OC(=O)COc1ccccc1Cl)c1ccco1 103192399 HSGBAWILKNSFTH-OAHLLOKOSA-N 374.713 4.040 0 1 FIAF CCc1nc(Nc2ccc(CC(=O)O)cc2)nc(-c2ccc(Cl)s2)n1 143667950 QHYCZHZMOWPWPY-UHFFFAOYSA-N 374.853 4.187 0 1 FIAF Cc1ccc(-c2noc(C3CCC3)n2)cc1NC(=O)c1cnc2ccccn12 206102247 LAAFMNKBPFCIJU-UHFFFAOYSA-N 373.416 4.213 0 1 FIAF CC(C)CCOc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br 586911201 FPTHGIHFCBXVBL-LLVKDONJSA-N 353.260 4.254 0 1 FIAF O=Cc1cc(Br)cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 586982183 IARZIQPRFAQPMV-UHFFFAOYSA-N 355.113 4.222 0 1 FIAF CSc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 587039844 VXAHVEZKBYQTHQ-UHFFFAOYSA-N 363.468 4.150 0 1 FIAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@H](C(=O)O)C4)-c1ccccc1C2=O 587101033 JMZVVYBJZRYLGE-BLLLJJGKSA-N 357.409 4.190 0 1 FIAF N=c1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c[nH]1 587158612 IBGFKGDIDDHCBD-SFHVURJKSA-N 368.799 4.331 0 1 FIAF O=c1c(-c2nc3cc(Cl)ncc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171805 SMPIPVNHCOTJDB-UHFFFAOYSA-N 372.762 4.206 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cccc(Cl)c1C)O2 587375365 LNQAGSVYYAIVAB-FQEVSTJZSA-N 372.852 4.292 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)c1cc(Cl)cc(Cl)c1)O2 587378185 MWDAADRCGYTCJT-GOSISDBHSA-N 364.228 4.491 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(C(C)C)cc1)O2 587389086 IKLPVWUFGNFIIV-QFIPXVFZSA-N 366.461 4.453 0 1 FIAF Cc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587586644 JDJIYJVWFGKMIM-SIKLNZKXSA-N 361.397 4.059 0 1 FIAF CC(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587590351 ZKQSVGGMSZIRRO-FXAWDEMLSA-N 362.385 4.009 0 1 FIAF COc1ccsc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610467 CIQOSTZLKZWHJT-OXJNMPFZSA-N 368.410 4.339 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(O)c2F)N1 587723306 WQHZAPSXLVBHKO-NZFNHWASSA-N 372.184 4.196 0 1 FIAF Cc1cccc2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n12 587775203 PQMMVUWDJRBGBF-XTZNXHDOSA-N 374.257 4.168 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCOCC1 587858684 LVFFRNMAQVIASU-UHFFFAOYSA-N 369.248 4.322 0 1 FIAF COc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1OC 587969916 BOPFKILYKSURPN-UHFFFAOYSA-N 350.418 4.009 0 1 FIAF COc1ccc2c(c1)[C@H](Nc1ccc(Cl)cc1)CCc1nnc(C)n1-2 1857569589 SKJPKYVVUNMHLO-QGZVFWFLSA-N 354.841 4.337 0 1 FIAF CCOc1ccc2c(C)cc(=O)oc2c1COC(=O)c1c(F)cccc1F 1857597922 UHYBRGCPQMJUCA-UHFFFAOYSA-N 374.339 4.135 0 1 FIAF COc1ccc2c(=O)c(OC(C)C)c(-c3ccc(OC)c(OC)c3)oc2c1 1857652443 ISVUVJWFMGNECR-UHFFFAOYSA-N 370.401 4.273 0 1 FIAF CSCC[C@@H](C(=O)NC1CCCC1)n1c(C2CC2)nc2ccccc21 95566650 RZTUUKBCTSKVTR-SFHVURJKSA-N 357.523 4.267 0 3 FIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCN(CC)CC 4212541 QLSHMMROZWYTAD-LEWJYISDSA-N 373.541 4.159 0 1 FIAF COc1ccc(C(=O)[C@@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)cc1OC 14646618 REESMTMKWHNVKU-KGLIPLIRSA-N 356.418 4.130 0 1 FIAF biogenic COc1c(O)cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc1CC=C(C)C 14819250 NGSGHHXJBXTNFJ-IBGZPJMESA-N 354.402 4.322 0 1 FIAF biogenic,in-vitro CSc1ccc(Cl)c(NC(=N)N(C)c2cccc([S@](C)=O)c2)c1 15768723 RODJWDCTFWIGQR-HSZRJFAPSA-N 367.927 4.282 0 1 FIAF Cc1ccc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)nc1 28571950 YCKPHBNFZOGCBJ-UHFFFAOYSA-N 367.405 4.161 0 1 FIAF COc1ccc([C@@](O)(Cc2ccccc2)c2ncnc3ccccc23)cc1 39094927 UPHWXBPODBZMAV-QHCPKHFHSA-N 356.425 4.117 0 1 FIAF NCCCCCNc1nc(-c2cccc(F)c2)nc(-c2cccc(F)c2)n1 45368128 IBUUPMSFQAYNFN-UHFFFAOYSA-N 369.419 4.025 0 1 FIAF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(OC)ccc2c1=O 49068198 NXPPXFMDZJMYKY-UHFFFAOYSA-N 357.793 4.034 0 1 FIAF CCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1 82136351 MHOBFAMUEUTCQM-UHFFFAOYSA-N 370.472 4.049 0 1 FIAF Cc1ccccc1NC(=O)CSc1nncnc1-c1ccccc1Cl 95563853 PUOSXWGEYQFLGZ-UHFFFAOYSA-N 370.865 4.231 0 1 FIAF O=C(CCCc1cccc(Cl)c1)Nc1nc2ccccc2c(=O)s1 96905823 HNPMZWFOPYYMAH-UHFFFAOYSA-N 358.850 4.271 0 1 FIAF Cc1ccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)cc1 101706209 WRIKOMDUAGMHIE-QZTJIDSGSA-N 357.498 4.075 0 1 FIAF Cc1nn(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1Br 103195110 FWLWAESQAJCLNV-UHFFFAOYSA-N 350.260 4.041 0 1 FIAF C[C@@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)c1ccccc1 142141659 QCXPJZQKUIHMPR-CRAIPNDOSA-N 360.417 4.348 0 1 FIAF O=C1c2cc(Cl)ccc2S[C@@H]2c3[nH]c4ccc(O)cc4c3CCN12 220444219 ZAKBUQNTXSLPPL-GOSISDBHSA-N 356.834 4.330 0 1 FIAF Cc1cc(Cl)cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586920875 STUPDMVESKGJJH-UHFFFAOYSA-N 374.893 4.030 0 1 FIAF COc1cc(OC)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 587017716 PIOIRXKNAAWTHR-UHFFFAOYSA-N 372.837 4.419 0 1 FIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cnccc2[nH]1 587035683 YFMXEPUHJBGFLV-AWEZNQCLSA-N 350.447 4.444 0 1 FIAF COc1cccc(-c2cc(F)cc(-c3nc4cnc(Cl)[nH]c-4n3)c2)c1 587160151 JDPZAWYSVVLWQX-UHFFFAOYSA-N 354.772 4.440 0 1 FIAF Nc1ncccc1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587253272 FHUUGMWOKFOXQZ-UHFFFAOYSA-N 360.261 4.169 0 1 FIAF Cn1nc(C(F)(F)F)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587508736 QHCMUFGBIZQGPK-GOSISDBHSA-N 364.367 4.198 0 1 FIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Cl 587553862 WITPYVHNESTKPW-QFBILLFUSA-N 367.788 4.452 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(F)c1F 587559372 WOFUUMLGVAFFQU-QRWLVFNGSA-N 370.307 4.079 0 1 FIAF Cc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587586642 JDJIYJVWFGKMIM-KNQAVFIVSA-N 361.397 4.059 0 1 FIAF CCC(=O)CC[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599259 DMTTZFTUYXQXTF-WIYYLYMNSA-N 354.402 4.262 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(F)c2)N1 587729440 GXQKDLUYHWAASV-VPTHRUTESA-N 354.194 4.057 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc[nH]c3n2)N1 587802966 ORYBFJUWSFSCEY-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF COc1ccc([C@@]2(CC(C)(C)C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962906602 HFYANPSSBAUNIR-PGRDOPGGSA-N 371.452 4.113 0 1 FIAF CC(C)c1ccccc1-n1cc(CN2CCc3c([nH]c4ccccc34)C2)nn1 1857588655 LMKFVUCRXHYPAT-UHFFFAOYSA-N 371.488 4.430 0 1 FIAF CCCCOc1nc2ccccc2cc1[C@H]1CNC(=O)c2ccccc2N1 1857745592 LUJBAMOKZWVHOR-HXUWFJFHSA-N 361.445 4.310 0 1 FIAF O=C(CCc1ccccc1)c1c(O)cc2c(c1O)Cc1c(O)cccc1O2 2356329233 YUSRUJIDTOAFCM-UHFFFAOYSA-N 362.381 4.315 0 1 FIAF CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccco1)c1ccc(C(=O)OC)cc1 5978517 DHEAPNBLTDUXFD-LMMKCTJWSA-N 355.434 4.364 0 3 FIAF Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)Cc2ccccc2Cl)cc1C 61929044 SIRSCTBJEHRTSE-NRFANRHFSA-N 370.880 4.129 0 3 FIAF CSc1cc2c(cc1OC(F)(F)F)N(C(=O)Nc1cccnc1)CC2 13779441 MBABYWDRXXOUOV-UHFFFAOYSA-N 369.368 4.297 0 1 FIAF COc1c(O)c(CC=C(C)C)c(O)c2c1O[C@H](c1ccccc1)CC2=O 14819379 IMGRRXXTMXIKTA-INIZCTEOSA-N 354.402 4.322 0 1 FIAF biogenic CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1 14977312 NKQWPIBQHVKIOM-UHFFFAOYSA-N 354.538 4.255 0 1 FIAF OC[C@H](O)COc1ccc([C@@H]2Oc3ccccc3C=C2c2ccccc2)cc1 26947959 MONAQZFBYNPVGC-RDPSFJRHSA-N 374.436 4.093 0 1 FIAF O=C(NCc1c(F)cccc1Cl)c1snnc1C1CCCCC1 28956831 GHTSPWIEKRJSIO-UHFFFAOYSA-N 353.850 4.308 0 1 FIAF CCOc1ccc(Cc2nc3cc([S@](=O)CC)c(Cl)cc3[nH]2)cc1 29047135 LUZOSGOHFWMHGV-DEOSSOPVSA-N 362.882 4.333 0 1 FIAF CCCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 32221011 QETAQJKVCACISO-UJKMTWAASA-N 359.469 4.459 0 1 FIAF COc1ccc(C2=NN[C@H](c3c(Cl)cccc3Cl)C2)cc1OC 43015429 VAVHIDCHVMLIOJ-AWEZNQCLSA-N 351.233 4.449 0 1 FIAF c1cc(CNC2CCN(CC3CCCCC3)CC2)cc(-n2ccnc2)c1 45210359 BSCOMMZHRHTKAS-UHFFFAOYSA-N 352.526 4.007 0 1 FIAF CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1Br 95591713 RRGPEMDMAHDXGQ-UHFFFAOYSA-N 369.675 4.482 0 1 FIAF CN1[C@@H]2CC[C@@H]1[C@H](COc1ccc3c(c1)OCO3)[C@@H](c1ccc(F)cc1)C2 100801327 CUWDCKZGAWYXEX-VBSBHUPXSA-N 369.436 4.200 0 1 FIAF O=C(O)c1csc(-n2nc(-c3ccccc3)c3c2CCCCCC3)n1 103254771 ABIIJQRWPNNYBC-UHFFFAOYSA-N 353.447 4.353 0 1 FIAF COc1cc2c(c(OC)c1OC)[C@@H](c1cc(Cl)ccc1F)OC(=O)N2 143820237 CZTSRFAXSZENOT-CQSZACIVSA-N 367.760 4.156 0 1 FIAF COc1cc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc(Cl)c1OCC(C)C 587045658 ATWHZRZPZAQIGN-UHFFFAOYSA-N 373.840 4.026 0 1 FIAF COc1cc(Cl)ccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587066187 HVDCLRHOFXTRRV-UHFFFAOYSA-N 363.126 4.306 0 1 FIAF COC(=O)c1cc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2cc1OC 587074518 YTBJZVBMATUTRE-UHFFFAOYSA-N 370.836 4.286 0 1 FIAF O=C(N[C@H](c1ccccc1)c1nc2ccc(Cl)nc2[nH]1)c1ccccc1 587221338 WHMBYZZPPXPFFV-QGZVFWFLSA-N 362.820 4.131 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc3ncccc3c2[nH]1 587232812 COTQKOCKMBEDPC-ZFWWWQNUSA-N 352.438 4.272 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cc(Br)cc1F)O2 587381021 FEPMGJCIWFWDOB-CQSZACIVSA-N 368.177 4.324 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Cl)c1F 587569629 ROEKWHGIUSQQLY-KDOFPFPSSA-N 371.751 4.283 0 1 FIAF CC(C)[C@@H]1C[C@]2(CS1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617900 MCCUBXLVBNEDAC-SQGPQFPESA-N 356.443 4.254 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ncc2F)N1 587732375 MDBTXFKNRHNNBD-KWKYVRJSSA-N 373.628 4.399 0 1 FIAF CC[C@@]1(c2ccc(F)cn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587735398 UHWWOKRZYOTQNJ-DYZYQPBXSA-N 367.237 4.310 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cnccc32)N1 587777985 KNQVSRZFEKHJOD-ZMZPIMSZSA-N 361.258 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccccc3n2)N1 587779563 UCQSYOHQWFUDCX-MLCYQJTMSA-N 372.241 4.155 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2N)N1 587845450 RCSSIEDXULKBKH-AYVTZFPOSA-N 355.276 4.030 0 1 FIAF CCOC(=O)c1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2c1 587927601 SIHLXAQTGCHNJP-UHFFFAOYSA-N 350.418 4.137 0 1 FIAF COc1ccc([C@H]2CCC[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 1857541665 DJMJJPBYLZSEBH-HZPDHXFCSA-N 358.434 4.478 0 1 FIAF CC(C)Oc1cc(-c2cncc(-c3cnn(C(C)C)c3)c2)ccc1C(N)=O 1857621711 LFEOCNIHNYNYIJ-UHFFFAOYSA-N 364.449 4.079 0 1 FIAF N[C@H](COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12 1857623762 SGHXFHRRWFLILP-FQEVSTJZSA-N 370.456 4.077 0 1 FIAF COc1cc(C(=O)c2cnc(-c3cccc4[nH]ccc34)[nH]2)cc2c1OC=CO2 1857753029 MTARGKKLSCOVTF-UHFFFAOYSA-N 373.368 4.040 0 1 FIAF CCCCC[C@H](O)C=C[C@H]1[C@H]2CO[C@@H](C2)[C@H]1CC=CCCCC(=O)O 2356719656 DJKDIKIDYDXHDD-DEPCRRQNSA-N 350.499 4.336 0 1 FIAF CC(C)N(Cc1cncc(-c2cncnc2)c1)C(=O)c1cc2ccccc2o1 2382257006 QLRWEDNFSIEWTN-UHFFFAOYSA-N 372.428 4.336 0 1 FIAF CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO 13540273 ZCCLDKGWJIREQF-PDBXOOCHSA-N 352.515 4.472 0 1 FIAF endogenous,in-man CSc1nc(N2CCCCC2)c2cnn(/C=C/c3ccccc3)c2n1 13682800 YLGOYZGAXZNIEY-JLHYYAGUSA-N 351.479 4.166 0 1 FIAF CC(C)NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 13833873 HYKGMNOZTPIPSO-UHFFFAOYSA-N 354.406 4.064 0 1 FIAF Cc1n[nH]c2c1[C@H](c1ccc(N(C)C)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 18188082 LNJMWGJUEHFBOY-RBUKOAKNSA-N 350.466 4.007 0 1 FIAF CC[C@@H](C)NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 18210462 UHBSRQUXZFSYLJ-CDMKHQONSA-N 372.416 4.133 0 1 FIAF CCN1CC[C@@H]2[C@H](C1)c1ccc(C)cc1[C@H]2c1ccc(C(=O)N(C)C)cc1 27859962 QWAGOXSCRDCZIZ-MZYLBHOOSA-N 362.517 4.268 0 1 FIAF Brc1cccc(Nc2ncnc3cc4c(cc23)OCCCO4)c1 38411397 MLUORATXQGKELU-UHFFFAOYSA-N 372.222 4.297 0 1 FIAF C/C=C/C(P1(=O)OCC(C)(C)CO1)P1(=O)OCC(C)(C)CO1 40863032 LONULJPDNWAFCB-VOTSOKGWSA-N 352.304 4.421 0 1 FIAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccnc2)c1 43019464 MXEBAZXWGCNURF-UHFFFAOYSA-N 350.466 4.253 0 1 FIAF CC1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C2CCCC2)CC4)CC1 73197469 NQVZYJPSQLRLKC-UHFFFAOYSA-N 365.521 4.341 0 1 FIAF FC(F)(F)c1ccc([C@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1 82230759 IXYYYHHQSPHWJY-QGZVFWFLSA-N 372.346 4.417 0 1 FIAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)N[C@@H](c1cccc(F)c1)C2 146202102 OVIKULQZKDKREZ-CYBMUJFWSA-N 359.451 4.026 0 1 FIAF Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12 149515361 ZCOUKRXDKXZBIW-LLVKDONJSA-N 350.443 4.444 0 1 FIAF COc1cccc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)c1 169303441 ISCLNEBJUCNYBA-FQEVSTJZSA-N 356.381 4.015 0 1 FIAF CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3ccc4nccn4c3)cc2)no1 299830753 ODVKEUNDHWFSOX-UHFFFAOYSA-N 374.444 4.468 0 1 FIAF Oc1c(Br)ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587016280 IUNKAHFZGUHEBP-JTQLQIEISA-N 366.240 4.006 0 1 FIAF Brc1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2n1 587017576 NNMLMXVMZFHTGK-UHFFFAOYSA-N 361.224 4.028 0 1 FIAF Cc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1F 587075120 CVVJYXHKAUCOQG-UHFFFAOYSA-N 356.788 4.499 0 1 FIAF CCOC(=O)Cc1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587105852 AWPSPBUSPLZFAZ-UHFFFAOYSA-N 362.351 4.278 0 1 FIAF Oc1nc2cc3nc([C@@H](Nc4ccccc4)c4ccccc4F)[nH]c3cc2[nH]1 587149816 LYNHQLFLVGARDW-IBGZPJMESA-N 373.391 4.485 0 1 FIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cn1 587247547 OIWXWMMNWGGIGT-UHFFFAOYSA-N 364.236 4.311 0 1 FIAF CC1(C)CSC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587620422 ZGWPUSXCDSOJFT-UZLBHIALSA-N 356.443 4.256 0 1 FIAF Cc1ccsc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661224 LXVJANUPONPDOE-UHFFFAOYSA-N 364.401 4.261 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Cl)N1 587706360 PRWCDELKRQOKOS-XLKFXECMSA-N 355.638 4.260 0 1 FIAF CCn1cccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587754738 MLBBGJYHJBMGRZ-APPDUMDISA-N 351.263 4.207 0 1 FIAF Cc1cc(O)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587830533 CUVGEXUGPMXNNA-VOJFVSQTSA-N 364.258 4.400 0 1 FIAF CCc1cc(O)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587830580 DONHWNAXPLLHJX-MGNBDDOMSA-N 364.258 4.480 0 1 FIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587951958 KMZGAAVETADZRN-MMOPVJDHSA-N 370.541 4.361 0 1 FIAF COC(=O)c1ccc(NC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 653882865 NBCJQIDBBDASLJ-UHFFFAOYSA-N 361.810 4.380 0 1 FIAF N[C@H](N=O)c1ccc(NC(=O)OC2c3ccccc3-c3ccccc32)cn1 957756748 MJRMTFISJVHBMP-LJQANCHMSA-N 360.373 4.124 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1c[nH]nc1-c1ccc(C)cc1 963269382 IVYNEAPUQGPQMJ-HXUWFJFHSA-N 353.853 4.282 0 1 FIAF COc1cc(F)ccc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772600749 YZVQAXWIPUJFGL-MRXNPFEDSA-N 359.328 4.235 0 1 FIAF N=c1[nH]c2ccccc2cc1CCC(=O)N1CCC[C@@H](Cc2ccccc2)C1 1857598796 LIWRAYQUOUYJLM-IBGZPJMESA-N 373.500 4.061 0 1 FIAF c1cc2c(s1)CCOC21CCN(Cc2ccc3c(c2)CCCO3)CC1 1857652897 GYXPUZFOCRDOLT-UHFFFAOYSA-N 355.503 4.137 0 1 FIAF Cc1ccc(OC[C@H](O)CNCC2(c3cccs3)CCCCC2)cc1 1857754640 SEFVHHODDSJFEM-GOSISDBHSA-N 359.535 4.288 0 1 FIAF CC=C[C@@H]1Oc2c(-c3ccccc3)cn(OC)c(=O)c2[C@@H]2[C@@H](C)CCC[C@H]12 2356618927 ORZSZSIBAZFLLT-MFHCWRBVSA-N 365.473 4.431 0 1 FIAF O=C1Nc2ccc(Cl)c3c2[C@](C(F)(F)F)(C=C(c2cccnc2)O3)N1 5933502 YNCIOAYRAVKSRY-HNNXBMFYSA-N 367.714 4.061 0 1 FIAF CSc1nn(-c2ccccc2)c2cc(OCC3CCNCC3)ccc12 72177585 BPOPTLDGNGXRCF-UHFFFAOYSA-N 353.491 4.126 0 1 FIAF CCC(CC)NC(=N)c1ccc(N2CCN(c3ccccc3)CC2)cc1 73278701 AFXYVXJPQYFFKX-UHFFFAOYSA-N 350.510 4.117 0 1 FIAF CC(C)CN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 82139296 XZGPOPMQYWROKP-UHFFFAOYSA-N 370.472 4.001 0 1 FIAF CN1CCC(Oc2ccc3cc(-c4ccc(F)cc4)c(=O)oc3c2)CC1 84655315 PYFZMSBXUMLKAJ-UHFFFAOYSA-N 353.393 4.072 0 1 FIAF Cc1nc2sc(C(=O)N[C@@H](C)c3ccncc3)c(N)c2c(C)c1Cl 95596390 MASGXHRYZTWEAK-VIFPVBQESA-N 360.870 4.035 0 1 FIAF CN1[C@@H]2CC[C@@H]1[C@H](COc1ccc3c(c1)OCO3)[C@H](c1ccc(F)cc1)C2 100801370 CUWDCKZGAWYXEX-GSEOLPGOSA-N 369.436 4.200 0 1 FIAF O=c1[nH]c2ccc(/C=C3\c4ccccc4COc4cc(F)ccc43)cc2[nH]1 137107938 VVDCAXNCFQUBMK-GIJQJNRQSA-N 358.372 4.477 0 1 FIAF CC1=NC(=O)N[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1C(=O)OC1CCCC1 169719428 SFEKXMBXFZSKQT-LSDHHAIUSA-N 368.355 4.033 0 1 FIAF C[C@@H]1CCc2c(sc3ncnc(Nc4ccc5[nH]c(=O)sc5c4)c23)C1 207137199 WTJIKKXGOKCUMG-SECBINFHSA-N 368.487 4.463 0 1 FIAF Cc1cc(-c2nc3cc(CO)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880214 VHKPTCNJUPWRGM-UHFFFAOYSA-N 358.397 4.396 0 1 FIAF COc1ccc2c(C)c(CCc3nc4cccc(F)c4[nH]3)c(=O)oc2c1C 586918905 SMFDVXRZZYWIQD-UHFFFAOYSA-N 366.392 4.219 0 1 FIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cccc(Cl)c2[nH]1 586974023 TWLFHOUFRLGCKO-INIZCTEOSA-N 359.882 4.327 0 1 FIAF CCn1cc(Br)c(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 587001464 QWEYIVUVWDDPIH-UHFFFAOYSA-N 374.069 4.439 0 1 FIAF Clc1cccnc1-c1nc(-c2nc3cc4c(cc3[nH]2)OCO4)cs1 587017371 KMINVPZPYHGZIN-UHFFFAOYSA-N 356.794 4.131 0 1 FIAF COC(=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1OC 587028307 QCPMHRVIRUFRJX-UHFFFAOYSA-N 365.414 4.149 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C=O)c(O)c3)cc1)O2 587403558 INRMEQKZOPTDOE-QFIPXVFZSA-N 373.408 4.469 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3cc(C)c(C)cc31)CC2=O 587491001 MSSJVWOMYJDVOD-JOCHJYFZSA-N 366.413 4.131 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccccc1F 587569620 RMCZFYXIRFUMCJ-QUCCMNQESA-N 364.372 4.494 0 1 FIAF CCN(CC)CC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571813 MNCUBQUHEBRALT-GHTZIAJQSA-N 369.461 4.090 0 1 FIAF O=C(c1ccc2c(c1)OCCO2)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587634258 WMGQCCXNLCFXIH-UHFFFAOYSA-N 365.282 4.328 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(C)(C)C)CC2)N1 587765747 DEGPKGCLFBKBJO-LBPRGKRZSA-N 369.322 4.212 0 1 FIAF CCSC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587846767 RPXBAFDQHCIJAN-PSLIRLAXSA-N 360.292 4.007 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)s2)N1 587852557 HGCTZKPQTINICY-SREIQFSDSA-N 361.667 4.322 0 1 FIAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1cc(F)ccc1F 653697638 CSRXAYQMKIRNDU-UHFFFAOYSA-N 352.340 4.303 0 1 FIAF CCOC(=O)c1nc([C@@H]2N[C@@H](CC)Cc3c2[nH]c2ccccc32)sc1C 962955707 XZLXTJUNMBGQEX-KPZWWZAWSA-N 369.490 4.123 0 1 FIAF Cc1ccc2nc3c(c(NCCCN4CCOCC4)c2c1)Cc1ccccc1-3 1857534707 UOBFXPXYOPJCOF-UHFFFAOYSA-N 373.500 4.249 0 1 FIAF CCN(CC)c1ncnc2sc(C(=O)Nc3ccccc3OC)c(C)c12 2925845 FOCBFUWDKGEFHM-UHFFFAOYSA-N 370.478 4.107 0 1 FIAF CC[C@H](C1=CC(=O)OC1)[C@@]1(C)CC[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O 3928479 RXAQOPSWCQZTHW-TZNFFRQESA-N 374.521 4.059 0 1 FIAF CCN(C(=O)c1cccn(Cc2cccc(Cl)c2)c1=O)c1ccccc1 5270657 AVIRCSZHQUUOQE-UHFFFAOYSA-N 366.848 4.217 0 1 FIAF CC1(C)C=Cc2cc3c(cc2O1)OC[C@H]1c2cc4c(cc2O[C@H]31)OCO4 6201924 OYJSNPOSPVUTQQ-VBKZILBWSA-N 350.370 4.209 0 1 FIAF biogenic COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1cccc(C(F)(F)F)c1 26177030 BHWXMCQAJGCBHA-WSTOHFRZSA-N 369.339 4.127 0 1 FIAF C[C@@H](CCc1ccc(OCc2ccc3ccccc3n2)cc1)Cc1nnn[nH]1 26673088 FJOGJBNZYBZBSZ-INIZCTEOSA-N 373.460 4.138 0 1 FIAF O=C(NC1CCCCC1)Oc1cccc(C(=O)c2nc3ccccc3o2)c1 28710778 JALYWQGHEVHKCD-UHFFFAOYSA-N 364.401 4.480 0 1 FIAF CC1(C)C[C@H](OC(=O)c2ccccc2)c2cc3ccc(=O)oc3cc2O1 39008246 ABIHMWHCVFBRGI-SFHVURJKSA-N 350.370 4.252 0 1 FIAF COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccccc1 40431199 HWWMBMTVBODZCC-UHFFFAOYSA-N 350.422 4.232 0 1 FIAF CCOC(=O)C1=C[C@@H]2[C@@H](CC)CCN3CCc4c(n1c1ccccc41)[C@H]23 40510568 VGAYLYPKNAGUGZ-NQYLQCIDSA-N 350.462 4.004 0 1 FIAF COc1ccc(Br)cc1[C@H]1Sc2ccccc2NC1=O 40972882 MUKCXAYOUMEGBK-CQSZACIVSA-N 350.237 4.243 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2 49237220 YGFCQQLWHHYKBO-AWEZNQCLSA-N 363.442 4.414 0 1 FIAF COc1cc2c(c3occ(-c4ccc(O)cc4O)c(=O)c13)C=CC(C)(C)O2 59019781 MBCXSBCMGKGGJW-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF biogenic Cc1cccc(-c2nnc(S)n2-c2ccc3cc(C(=O)O)sc3c2)c1 96273171 RVYRKTYJQLKPGI-UHFFFAOYSA-N 367.455 4.444 0 1 FIAF Cc1ccc(NCn2nc(-c3ccc4c(c3)OCCO4)oc2=S)cc1 96935206 XOIUCTASFGVHOE-UHFFFAOYSA-N 355.419 4.022 0 1 FIAF Clc1ccc(N2CC[C@H]3CC[C@H](C2)N3Cc2c[nH]c3ncccc23)cc1 101229907 UPZQTOBGZYRXMC-RTBURBONSA-N 366.896 4.460 0 1 FIAF O=C(c1cc(-c2cc3ccccc3o2)nc2ccccc12)N1CCOCC1 103191922 OZAZGCLDPOEQKQ-UHFFFAOYSA-N 358.397 4.120 0 1 FIAF Nc1ncccc1-c1cc(Cc2ccc(Oc3cccc(F)c3)nc2)no1 113992902 OUKYASALCUMUSZ-UHFFFAOYSA-N 362.364 4.236 0 1 FIAF Cc1ccc(C(=O)Nc2ccon2)cc1-c1ccc2c(c1)NC(=O)C2(C)C 117954260 XXHYBRBQLVTBJK-UHFFFAOYSA-N 361.401 4.132 0 1 FIAF O[C@@H]1CCC[C@H](c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139349519 UMTVKOCJSLGBPV-DOTOQJQBSA-N 362.433 4.426 0 1 FIAF O[C@H](CCN1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1 200625687 LVJMCCQSYUPJIH-XMMPIXPASA-N 360.501 4.081 0 1 FIAF Cc1c(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 203661516 LKNHSWRLQGSSPT-UHFFFAOYSA-N 369.273 4.262 0 1 FIAF O=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4(CO)CCC4)cc3)c(F)c12 205355049 QROCFHQHLVJSBH-UHFFFAOYSA-N 357.356 4.225 0 1 FIAF C/C=C(\C)c1c2c(c(C)c(O)c1C(=O)O)OC(=O)c1c(C)cc(O)cc1O2 238788125 DFNFONZYWQXTIJ-VMPITWQZSA-N 370.357 4.161 0 1 FIAF C[C@@H]1CCCN([C@H](CCN2CCOCC2)c2ccc(Cl)c(Cl)c2)C1 299825553 YVOMATWVFCSQME-DNVCBOLYSA-N 371.352 4.489 0 1 FIAF O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(-c3ccsc3)ccc21 377836350 BYBVGOWHRCBCOF-UHFFFAOYSA-N 351.436 4.187 0 1 FIAF O=C(O)c1ccccc1/C=C\c1nc2cc(Br)c(F)cc2[nH]1 586878471 FAGXFBATJIICND-WAYWQWQTSA-N 361.170 4.333 0 1 FIAF CC(C)COc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1Br 586889400 NDZCRAGWBZXELU-MRXNPFEDSA-N 355.276 4.224 0 1 FIAF COc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1C 586979814 VXYUZBNQBQTRAX-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF CCn1cc(Br)c(Cc2nc3cccc(C(C)(C)C)c3[nH]2)n1 587000851 SNIJUVDLMMVKDC-UHFFFAOYSA-N 361.287 4.430 0 1 FIAF CCn1cc(Br)c(Cc2nc3cccc(C(F)(F)F)c3[nH]2)n1 587001532 ZMWXIWJXHRIHAO-UHFFFAOYSA-N 373.176 4.151 0 1 FIAF CC(C)(C)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2n1 587005643 OBVSMHBIXUUUBF-UHFFFAOYSA-N 366.650 4.128 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc2c1 587052056 WJWLMHJUPPZOOY-UHFFFAOYSA-N 373.840 4.495 0 1 FIAF Cc1ccc2c(ccc3nc([C@H](N)Cc4ccc(O)c(Cl)c4)[nH]c32)n1 587052604 XVOHSQONLWRKMS-CQSZACIVSA-N 352.825 4.021 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc12 587080046 KQLIXBKYSVDFHL-GFCCVEGCSA-N 364.630 4.358 0 1 FIAF OCc1ccc(F)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587141139 YADWDOJMBMYPJD-UHFFFAOYSA-N 355.594 4.277 0 1 FIAF Fc1cc(Br)cc(-c2nc3cc(Br)ncc3[nH]2)c1 587161342 PVVQPXRGAIAJCH-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF C[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376563 POTFFHXXEMFHJY-LPHOPBHVSA-N 355.390 4.262 0 1 FIAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F 587383117 QNCCGMPZQDJEOR-LJQANCHMSA-N 363.360 4.068 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(Cc3ccccc3)C1(C)C)O2 587393023 FOYCUIMZDBMPCT-HSZRJFAPSA-N 364.489 4.356 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(OC(F)(F)F)ccc1F)[C@@H](C2)C3=O 587421517 LILPYDOSBCHVSR-SJCJKPOMSA-N 368.282 4.222 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1C(F)(F)F)[C@@H](C2)C3=O 587422842 VDHZITMIWAMPKG-DYZYQPBXSA-N 352.283 4.342 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccccn4)cc1)[C@@H](C2)C3=O 587436286 PKWMDVQXGPEWCZ-JTSKRJEESA-N 359.381 4.371 0 1 FIAF Cn1nccc1[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587516560 DDTKDSKFMRIBSA-OPAMFIHVSA-N 350.462 4.361 0 1 FIAF COCCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525989 XEUNJUDZPVQSGY-OAQYLSRUSA-N 352.430 4.297 0 1 FIAF Cc1ccc2[nH]nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587593343 ISWHVYHHVNBUIZ-XMSQKQJNSA-N 372.380 4.280 0 1 FIAF CCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587616187 JBSYIZKNIDSZIF-RXVVDRJESA-N 350.370 4.425 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Cl)N1 587706357 PRWCDELKRQOKOS-CLAHSXSESA-N 355.638 4.260 0 1 FIAF CC(C)N1CCC([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587769319 OSSVJUHSEDKNGM-KPZWWZAWSA-N 369.322 4.284 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3c[nH]nc23)N1 587793017 JGAQHPBPZWCYJB-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF NC(=S)c1cccc(-c2ccc(CCC(F)F)c3[nH]c(CO)cc23)c1 1857600341 DPPYGYWCSAGLBD-UHFFFAOYSA-N 360.429 4.159 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O[C@H](C(C)=O)C[C@@H]3C(C)(C)CCC[C@@]32C)O1 2356671487 ATPOMGXHYRDUKU-LPKWFMKBSA-N 366.498 4.025 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@]2(C)[C@@H](C(C)=O)CC[C@H]32)C1 2356730192 NNMJHVBZUSISMC-KIPTXZGASA-N 374.521 4.345 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2COC(=O)[C@H]12 2356798686 STUPTZTXUWQVRJ-MWYMKCBMSA-N 362.510 4.360 0 1 FIAF COc1cccc(-c2oc3c(c2-c2ccc(OC)nc2)[C@@H](O)CCC3)c1 95570749 RGNRIQUXLOAYNR-INIZCTEOSA-N 351.402 4.396 0 3 FIAF O=C(NCc1ccc(F)cc1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 95599402 LSIQQMIJWOPSQV-UHFFFAOYSA-N 363.314 4.165 0 3 FIAF Cc1cc(C)nc(N2C(=O)CS[C@H]2CC23CC4CC(CC(C4)C2)C3)n1 40899222 HLQIMRYWOGQPAW-LMFLDHGRSA-N 357.523 4.106 0 1 FIAF COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 45287668 HVQROFSHEXGBAM-APTRMMRNSA-N 363.501 4.443 0 1 FIAF CCO[C@H](c1ccc(C(=O)OC)cc1)[C@H](SC(C)(C)C)n1ccnc1 45366128 PFORGQXALRKXGD-SJORKVTESA-N 362.495 4.478 0 1 FIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(OC)c2)cs1 82195412 WRMNAQFDIIDWOA-SFHVURJKSA-N 373.522 4.094 0 1 FIAF NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2F)c1 95580459 UZTNVXSAJKJZTL-UHFFFAOYSA-N 350.393 4.290 0 1 FIAF NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 96174157 RMFVLDWWNOARPU-UHFFFAOYSA-N 366.428 4.001 0 1 FIAF COc1cccc2c1[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1CC2 100620721 YEFMXZXPHZARAI-UYAOXDASSA-N 360.457 4.288 0 1 FIAF CCOc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114337577 SXUKHUQRLXBBJH-LJQANCHMSA-N 350.466 4.038 0 1 FIAF CC(=O)c1cccc(-c2ccc(C[C@@]3(C)SC(=O)[C@@H](C)C3=O)cc2)c1 169720207 HELNUCPCXSQUQA-YEJXKQKISA-N 352.455 4.336 0 1 FIAF CN1CC[C@H](c2ccc3nc(Nc4ccc(C(F)(F)F)cn4)[nH]c3c2)C1 299832826 UDICVWBLMGGCPS-LBPRGKRZSA-N 361.371 4.139 0 1 FIAF O=C(O)/C=C\c1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586879793 NPTYBLRINCKDKS-WAYWQWQTSA-N 350.271 4.486 0 1 FIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)c(F)cc2[nH]1 586973582 PMFZCBRLIHIFKX-GOSISDBHSA-N 357.454 4.121 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587027255 SYDWYWARHOZBMV-UHFFFAOYSA-N 354.456 4.362 0 1 FIAF Clc1cccc(-c2cc(-c3nc4nc(Br)ccc4[nH]3)n[nH]2)c1 587068326 QQUUMZJEZSOJJY-UHFFFAOYSA-N 374.629 4.431 0 1 FIAF Fc1ccc(O[C@H](c2ccccc2)c2nc3nc(Cl)c[nH]c-3n2)cc1F 587151909 VNEPPPLYHHKYFN-OAHLLOKOSA-N 372.762 4.405 0 1 FIAF C[C@]1(CCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350403 HSJMACFEHFJBCA-PZJWPPBQSA-N 372.392 4.294 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccccc1C(C)C)O2 587387646 QZBCZWSMZVLMQJ-JOCHJYFZSA-N 366.461 4.453 0 1 FIAF CCn1cc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 587390268 LRQFQTVGQRJALY-JOCHJYFZSA-N 361.445 4.011 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@@H](O)c1cccs1)O2 587411589 DPBQNXWYUWQWKV-OALUTQOASA-N 371.483 4.295 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCOc4cc(C)c(Cl)c(C)c41)[C@@H](C2)C3=O 587420417 PDCJURBWZGMSGV-LHSJRXKWSA-N 370.832 4.391 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccc(OC(F)(F)F)c1)[C@@H](C2)C3=O 587424016 WFZCCFFKAHVMIK-SUMWQHHRSA-N 350.292 4.083 0 1 FIAF CCCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587439457 AUWANDMLKMNEEX-ZHRRBRCNSA-N 368.429 4.371 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)OCC)c(C)o1)CC2=O 587482101 OSSDIGRJUJSUOZ-OAQYLSRUSA-N 372.417 4.303 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)([C@@]13C[C@@H]4C[C@@H](C[C@@](O)(C4)C1)C3)CC2=O 587487777 ITEQHSFMAMQHLI-QRGAGWIISA-N 370.489 4.400 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-n3ccnc3)cs1)CC2=O 587495001 OQUDKVPVJLZCTC-QGZVFWFLSA-N 354.431 4.298 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1nc(Br)cs1)CC2=O 587495399 QUUKDIMKHVMNMJ-GFCCVEGCSA-N 368.252 4.270 0 1 FIAF O=C1C[C@]2(CCCc3occ(C(=O)O)c32)Oc2c1ccc1c2CCCC1 587534029 UWMVPBKTYWUFFD-NRFANRHFSA-N 352.386 4.054 0 1 FIAF CC(C)[C@@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587742482 RNZMVDHFZVUBHG-GRIRPPEYSA-N 355.295 4.049 0 1 FIAF CCc1cccnc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774774 XQLWPWKWLICOSK-BBATYDOGSA-N 363.274 4.343 0 1 FIAF C=Cc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587792528 OQGPVYGAQZTWCD-VVVCHXIZSA-N 364.262 4.060 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(O)cc2)N1 587834635 SPVBOZQMDCGACB-VOJFVSQTSA-N 364.258 4.286 0 1 FIAF Cc1nc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587852422 KXKFOZJVPALLFB-PWJLMRLQSA-N 369.303 4.459 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)NCC1CC1 587860346 RJLWDHLLWOFSMK-UHFFFAOYSA-N 354.237 4.223 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1ccco1 587862615 RVBFNCBHTSPNAX-UHFFFAOYSA-N 364.323 4.444 0 1 FIAF CC(=O)Nc1cccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)c1 587877038 XYTJCZKINTZBGJ-UHFFFAOYSA-N 368.393 3.998 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc(OC)c(OC)c1N 963227678 KFZHZKKOYQJEIP-OYHNWAKOSA-N 354.494 4.206 0 1 FIAF O=C(Nc1nc2cc(-c3ccc(O)cc3)ccn2n1)c1cccc(Cl)c1 1857588188 AASVNISFYAZABS-UHFFFAOYSA-N 364.792 4.008 0 1 FIAF O=C(NC1CCNCC1)C12C[C@H]3C[C@@H](C1)CC(c1ccc(Cl)cc1)(C3)C2 1911570463 AHGMQMBVPKPLFE-MBWAJUJLSA-N 372.940 4.046 0 1 FIAF C[C@H](CC[C@]1(C)[C@H](C)CC[C@]2(CO)C(CO)=CCC[C@]21C)CC(=O)O 2356652309 WLKKZYQAHGKWES-GQFKRECVSA-N 352.515 4.011 0 1 FIAF CNCC(=CCCC(=O)O)CCCCCCCC[C@@H]1C=C(CO)CC1 2356761507 MMGHAYAESBNGFM-SFHVURJKSA-N 351.531 4.447 0 1 FIAF FC(F)(F)c1cc(CN2CC[C@@]3(CCCNC3)C2)cc(C(F)(F)F)c1 4237984 CGQAVYALBIYOFB-OAHLLOKOSA-N 366.349 4.300 0 1 FIAF Cc1c(C)c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1 13861025 KHNPIGQSDPPQFX-RTBURBONSA-N 373.468 4.491 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[C@H](C)[C@@H](C)C2=O 14447722 AQILVQJBVWGDOL-HTGLOVNISA-N 354.402 4.033 0 1 FIAF biogenic CCCc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12 14968500 CFNJVXQDHLLLEQ-UHFFFAOYSA-N 366.305 4.412 0 1 FIAF CC(=O)N1c2ccccc2S[C@@H]1c1ccccc1OCCCN(C)C 28014322 GAANQPCIQBLSAH-HXUWFJFHSA-N 356.491 4.175 0 1 FIAF CCCC[C@H](COCCc1ccc(Cl)cc1Cl)N1CCOCC1 28653720 AOSBUACCONEWMA-QGZVFWFLSA-N 360.325 4.444 0 1 FIAF CCCC(=O)N[C@]1(c2ccccc2)C2=NCC(C)(C)CN2c2ccccc21 34741342 JPAAZMHUVOEQFR-QHCPKHFHSA-N 361.489 4.105 0 1 FIAF CN(C)c1ccnc2ccc(NC(=O)Nc3ccnc4ccccc34)cc12 45202768 LQVPWVYJSKMJRM-UHFFFAOYSA-N 357.417 4.493 0 1 FIAF CC[C@H](C)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C)c(=O)c12 73219792 HWMHPXAHTBQKGP-NSHDSACASA-N 359.857 4.184 0 1 FIAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccc(F)cc3)C2)cc1C 95580104 HRACPZWYKJGXAW-SFHVURJKSA-N 367.449 4.223 0 1 FIAF Cc1cc(C)n(C[C@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 101433126 FYXXTOJUMHTXEW-ZWKOTPCHSA-N 350.293 4.128 0 1 FIAF Clc1cccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)c1 140142925 HGGOXEQMOVLFOL-UHFFFAOYSA-N 373.847 4.344 0 1 FIAF Cn1cc(-c2ccccc2C(=O)c2ccc(Cl)cc2)c2cc[nH]c2c1=O 146466559 CFKXAZZXTAUEQK-UHFFFAOYSA-N 362.816 4.418 0 1 FIAF Cc1ncc(C)n2nc(/C=C/c3ccc4ccc(C(F)(F)F)cc4n3)nc12 207587132 ULQILZNVSXQNAJ-BQYQJAHWSA-N 369.350 4.479 0 1 FIAF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC(=O)C4CC4)ccc3CC[C@@H]12 473122830 JWZMBISEMIKTGK-QIJUGHKUSA-N 356.462 4.185 0 1 FIAF COc1ccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2n1 586881421 FSMZBZWNPAGIKN-UHFFFAOYSA-N 357.413 4.481 0 1 FIAF O=Cc1ccc(OCc2occc2-c2nc3ccnc(Cl)c3[nH]2)cc1 586901477 UVQZUEUMWMZWIA-UHFFFAOYSA-N 353.765 4.263 0 1 FIAF O=C1c2ccccc2-c2c(CCc3ccccn3)cnc3ccc(O)c1c23 586988130 LJOYHKRMTPWGIZ-UHFFFAOYSA-N 352.393 4.332 0 1 FIAF C[C@]1(c2cncs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587373039 KRUIQLOAZFSCMK-IEBWSBKVSA-N 355.390 4.262 0 1 FIAF CCOc1ccc([C@]2(c3ccco3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407803 FCAANCVCWUTCTE-QFIPXVFZSA-N 363.413 4.478 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCOc4c(Cl)cccc41)[C@@H](C2)C3=O 587422927 RGFOHDMLGGTZBS-XOBRGWDASA-N 356.805 4.164 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccc(F)cc4)cs1)[C@@H](C2)C3=O 587426549 DKMBXUFABOYIPJ-IFXJQAMLSA-N 367.401 4.447 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(F)cc1)CC2=O 587466326 KHEQUKONXVDFLK-CHHLAKQQSA-N 369.436 4.420 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(C)o1)CC2=O 587481909 IZDNKMMVZWDJQZ-GOSISDBHSA-N 352.390 4.343 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)CC[C@H]1C(=O)OCC 587482368 STBVQSXZAHVMSN-QTPGKHNVSA-N 360.450 4.048 0 1 FIAF Nc1ccc2c(c1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578222 NGDZXPALOFHRML-NFBKMPQASA-N 373.408 4.168 0 1 FIAF CCO[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601104 QYNSIMURLDMTIZ-LVCYWYKZSA-N 354.402 4.072 0 1 FIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1O 587609339 OJEDKTZEVPBGJU-AVRDEDQJSA-N 362.381 4.418 0 1 FIAF O=C(Cc1c(Cl)cccc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651761 YPQCHWZITNAWBG-UHFFFAOYSA-N 367.619 4.240 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N)ccc2F)N1 587717739 LOWNOEMYYIWWGV-VVVCHXIZSA-N 367.237 4.107 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(CN(C)C)CCCC2)N1 587739953 IVOFZXNXMNBLAZ-PXAZEXFGSA-N 369.322 4.286 0 1 FIAF CC(C)Cn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587756294 CYYWMSZVPKEONL-APPDUMDISA-N 366.278 4.064 0 1 FIAF CC[C@H](C)n1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587762067 WYGJPYBSQVULDJ-VGTOOOLASA-N 366.278 4.379 0 1 FIAF Cc1nn(C(C)C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587763768 MHCHDKMTJICCHK-BMLIUANNSA-N 366.278 4.298 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)CC(C)(C)C[C@H]2C 587818433 DDLLFGDJAJLFNS-YRUZYCQGSA-N 368.290 4.343 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCCO3)CC2)N1 587836553 AHNUDZBDRONNQK-KAMYHZANSA-N 368.290 4.441 0 1 FIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587951936 KCQNXNWTWRMYKB-MMOPVJDHSA-N 371.525 4.442 0 1 FIAF CN[C@@H](C)[C@@]1(c2ccc(OC)cc2)NCCc2cccc(-c3ccccc3)c21 962666169 LFSGKEQHDKBNBI-BVZFJXPGSA-N 372.512 4.359 0 1 FIAF C[C@H](COc1ccccc1)Oc1ccn(-c2cccc(Cl)c2)c(=O)c1 1857552628 YPHAJCHPZZVZSQ-OAHLLOKOSA-N 355.821 4.337 0 1 FIAF CC(=O)Oc1cc2c(CC[C@@H](O)C(C)(C)O)c(C)ccc2cc1C(C)C 1857568238 FSIZBPFCPDLNGX-OAQYLSRUSA-N 358.478 4.261 0 1 FIAF Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC(=O)N2 2456266 RYONWPNLTFCNFD-OAQYLSRUSA-N 366.436 4.194 0 1 FIAF CC(C)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 3815563 GWRZAKQWUQRPDF-UHFFFAOYSA-N 363.248 4.123 0 1 FIAF COc1ccc(CNc2ncncc2-c2ccccc2Cl)c(OC)c1 4267572 NMEJQUCNDCJMAH-UHFFFAOYSA-N 355.825 4.426 0 1 FIAF CSc1ccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)cc1 13587981 CRANKTQZFCMJPC-KSFYIVLOSA-N 368.546 4.307 0 1 FIAF CCN(CC)C[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 13861039 ZSNPTGYVRMEOHR-HNNXBMFYSA-N 357.325 4.259 0 1 FIAF CCCC[C@H](O)C1=CC[C@@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@@H]3C1 27722379 DJYWGBMTZMYDEB-CWBXHPNXSA-N 355.522 4.081 0 1 FIAF O=C(O)CC[C@@H]1C[C@H]1c1cccc(OCCc2ccc3c(n2)NCCC3)c1 28648231 ALPCCUVICZDBAU-XLIONFOSSA-N 366.461 4.030 0 1 FIAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ncccc12 40863263 CASUKCWJIMZQFD-HTZLVSCSSA-N 367.880 4.231 0 1 FIAF C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc3ccccc3c2)o1 66123340 LFYFBJSRBRUMBD-CQSZACIVSA-N 359.385 4.296 0 1 FIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccsc2)C2=C(O)CCCC2=N1 100639911 JLKRBWJEVMIQHP-KSSFIOAISA-N 373.474 4.279 0 1 FIAF CCCN1N=C2/C(=C/c3ccccc3)C[S@@](=O)C[C@H]2[C@@H]1c1ccccc1 100788219 WHBHZFWSLGEPFN-OWRFEPDFSA-N 364.514 4.271 0 1 FIAF CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@@H]3O[C@H](C[C@@]4(C)CCC[C@]3(C)O4)[C@@H]21 101694814 XBXWRLRZRQRZHE-ILEJNFISSA-N 364.526 4.496 0 1 FIAF O=C(c1cc(Br)c[nH]1)N(Cc1ccccc1F)CC1CCC1 103232600 GRINFKXJMILOTQ-UHFFFAOYSA-N 365.246 4.359 0 1 FIAF C[C@@H](C(=O)N[C@@H]1COc2ncccc21)c1cccc(C(F)(F)F)c1Cl 146503654 CGZWZKJDTFHJQE-NOZJJQNGSA-N 370.758 4.107 0 1 FIAF N[C@@H](CO)Cc1c[nH]c2c(-c3ccc(Oc4ccccc4)cc3)cccc12 146732838 CREDWTOAIWREOM-GOSISDBHSA-N 358.441 4.489 0 1 FIAF Cc1cncc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586986366 WUUCCRYGVYQTQO-QGZVFWFLSA-N 371.282 4.214 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1OC 587024095 VMASTPXHELGMEE-UHFFFAOYSA-N 371.443 4.210 0 1 FIAF COc1cncc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587065120 UGPIKNRLNBYYSB-UHFFFAOYSA-N 355.781 4.459 0 1 FIAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(=O)O)CC4)-c1ccccc1C2=O 587100687 FAKXVKPIWVPHOM-ZDUSSCGKSA-N 357.409 4.334 0 1 FIAF Cc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2n1 587115751 ABPRSWSZDSXDKC-UHFFFAOYSA-N 357.133 4.110 0 1 FIAF Fc1c(F)c(F)c(/C=C/c2nc3cc4c(cc3[nH]2)OCCO4)c(F)c1F 587134201 KHYJEZAEKKVQIK-OWOJBTEDSA-N 368.261 4.200 0 1 FIAF Cc1c(-c2nc3c(S)nc(S)nc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165797 FPNSCKJTAMERND-UHFFFAOYSA-N 371.466 4.050 0 1 FIAF CC(C)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347730 UTGWUNWZSTUPTL-HXUWFJFHSA-N 369.436 4.133 0 1 FIAF CC[C@]1(C2CCNCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353449 ZHZVGOMYKMLTIN-RBBKRZOGSA-N 369.436 4.039 0 1 FIAF COc1cccc([C@@]2(C[C@H]3CCCO3)CC(=O)c3cc(C)cc(N)c3O2)c1 587412677 NXDOPJFRZFVXRZ-VGOFRKELSA-N 367.445 4.016 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(Cc4cccnc4)c1C)[C@@H](C2)C3=O 587432283 VUHTXEDQLNEGEN-CVDCTZTESA-N 374.440 4.046 0 1 FIAF CC[C@H](OC)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587438890 IVYGTGPGOFMKGS-FGSXEWAUSA-N 352.430 4.456 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cc4ccccc4o1)[C@@H](C2)C3=O 587440092 NVACHTIPBVRYLD-RCDICMHDSA-N 372.380 4.320 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)([C@@H](C)O)CC2=O 587460811 IIQBTVHLMRXGES-ODXCJYRJSA-N 360.837 4.240 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCNc3ccc(OC)cc31)CC2=O 587485012 PIXQWEPNQWDRRL-OAQYLSRUSA-N 353.418 4.030 0 1 FIAF Cc1nn(C)c(C)c1[C@@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587509914 YHBJILUPJQPXFH-HXUWFJFHSA-N 360.404 4.042 0 1 FIAF C[C@]1([C@H]2CC2(Cl)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540807 BURPSRMTVVDUNS-CKEIUWERSA-N 365.212 4.306 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnccc2Cl)N1 587693105 CQSXBVDYZPIUNR-GLEZIHRCSA-N 355.638 4.260 0 1 FIAF CC(=O)c1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587816215 VKRDXEXTIPKALQ-MGNBDDOMSA-N 362.242 4.414 0 1 FIAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31N[C@H](C)Cc2cc(Br)c(F)cc21 587828824 QEHCZIVABWYMSB-UFEHFELISA-N 350.275 4.384 0 1 FIAF O=C(NCc1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1 653843538 XGNWLLMQVIIJHG-UHFFFAOYSA-N 362.820 4.208 0 1 FIAF CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCN(C(C)C)C2 1857593473 XGJZBEJKTUSFEQ-UHFFFAOYSA-N 372.519 4.145 0 1 FIAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(Cc1ccccc1Cl)C2 2356320888 WEBMHMUJWVWRKZ-QGZVFWFLSA-N 356.853 4.380 0 1 FIAF O=C(NCC1CC1)[C@@]1(C(F)(F)F)C[C@H](CCc2ccccc2)CCCO1 13829061 YWDHRKWQVZZSFH-QFBILLFUSA-N 369.427 4.263 0 3 FIAF Cc1ccc(F)cc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 201474194 BRNKOHWVACZXSB-CYBMUJFWSA-N 371.437 4.265 0 3 FIAF COc1cc(-c2ncoc2-c2ccc(N(C)C)cc2)cc(OC)c1OC 13473126 SALRJLZPIJWXOE-UHFFFAOYSA-N 354.406 4.100 0 1 FIAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13 13586855 BKKGVUYVPORNKS-MJXBJDOJSA-N 372.468 4.239 0 1 FIAF CN(Cc1ccnc(C(F)(F)F)c1)c1ccc2c3c(cccc13)C(N)=N2 13741451 JUPIKZCYHKMLSJ-UHFFFAOYSA-N 356.351 4.240 0 1 FIAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCSCCO)[C@@H]1CCC2=O 13746618 LOCLCSLEASYCPR-YHDSQAASSA-N 374.546 4.103 0 1 FIAF COc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O 14641890 KBIHHHDCLJQNHG-CUUCYKDWSA-N 374.433 4.208 0 1 FIAF endogenous,in-man C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(-c4ccccc4)ccc3O)CCN12 26267393 FLXDHJNYWWMCKF-LSTHTHJFSA-N 364.489 4.194 0 1 FIAF CCCCCC[S@@](=O)C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28018877 DXUUKSQGPDLBMH-BUYAVDSKSA-N 370.555 4.310 0 1 FIAF Clc1cccc(Cc2nc3c(NCC[C@H]4CCCCN4)nccc3o2)c1 28526271 KBJGRHGRZYRRHG-MRXNPFEDSA-N 370.884 4.411 0 1 FIAF Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@H]2C2CCCCC2)cc1 28704321 ZQDDTLSRAQJYMD-SFHVURJKSA-N 353.915 4.461 0 1 FIAF CCCC[C@](C)(O)C1=CC[C@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@H]3C1 40511534 LJTJQLDGHOLLEZ-LWSSLDFYSA-N 369.549 4.471 0 1 FIAF O=C1c2ccccc2[C@@](O)(c2ccc3[nH]ccc3c2)N1Cc1ccccc1 59203443 IZUVPXWXVOJERV-QHCPKHFHSA-N 354.409 4.017 0 1 FIAF Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCC(F)(F)C3)cc12 118602920 VCBLBVBFJCRLBB-UHFFFAOYSA-N 370.812 4.028 0 1 FIAF CO[C@H]1Cc2sc(CN=O)cc2C2(CCN(Cc3ccccc3)CC2)O1 169728015 IEXZPMROZJAORO-LJQANCHMSA-N 372.490 4.051 0 1 FIAF CCS(=O)(=O)c1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586923172 ZPKOIZYZIUNAQE-UHFFFAOYSA-N 372.343 4.181 0 1 FIAF CC(C)Oc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984152 NLXHBWQUFLSFOG-HNNXBMFYSA-N 374.282 4.355 0 1 FIAF FC(F)(F)Oc1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587016043 FGYCQHZIPGLJMV-LBPRGKRZSA-N 355.341 4.437 0 1 FIAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587156538 UZEBCMFIKWKJIF-LJQANCHMSA-N 369.440 4.064 0 1 FIAF Nc1ccc(-c2ccc3nc(Cc4c(F)cncc4Cl)[nH]c3c2)cc1N 587176551 VFRCDBUGMZJFOC-UHFFFAOYSA-N 367.815 4.173 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587242239 KNTPOTYCPFWCLF-UHFFFAOYSA-N 369.424 4.343 0 1 FIAF C[C@]1([C@@]2(C)CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357632 UVIFULRAKXDEDA-NRSPTQNISA-N 356.393 4.218 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](OCc4ccccc4)C1(C)C)[C@@H](C2)C3=O 587440201 BCPXXJZQJDJGCV-GWJPWWOOSA-N 364.441 4.197 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4cc(O)ccc41)[C@@H](C2)C3=O 587454360 SWJDNKVOQLFUIE-GAJHUEQPSA-N 372.376 4.198 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1/C=C/C(=O)O)CC2=O 587492938 ZNJNZTPRWFROAD-BLRBJFNZSA-N 352.386 4.149 0 1 FIAF CCCCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587588718 LFBHZNFDUBDAPP-NQIIRXRSSA-N 364.401 4.161 0 1 FIAF Cc1[nH]c2ncccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589351 ODBJCOBZWXWBOP-GHTZIAJQSA-N 372.380 4.280 0 1 FIAF COc1ccc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587598054 AGPKUNFRINBVFH-SIKLNZKXSA-N 362.381 4.412 0 1 FIAF COc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601303 RXEYDLNZYRSMSM-OFNKIYASSA-N 374.392 4.204 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nc[nH]c3c2)N1 587802176 KOZFVPBYEMKMGH-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF COc1ccccc1C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587807780 MHHCSXXKJMTQAV-GTNSWQLSSA-N 364.258 4.415 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Cl)nn1 587861109 NPGQPPRNHKEYPG-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF O=C(O)Cc1ccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587961727 OMPVPOWSFFLTSG-UHFFFAOYSA-N 372.424 4.360 0 1 FIAF Cc1cc2c(cc1F)[C@H](c1nc3cccc(Br)c3o1)NCC2 962369724 ALNGCCJVWMUYJD-OAHLLOKOSA-N 361.214 4.273 0 1 FIAF O=C(O)CCC[C@]1(c2c(F)cccc2F)NCCc2cc(Cl)ccc21 963389504 BBRWXODJRONITO-IBGZPJMESA-N 365.807 4.262 0 1 FIAF CCCCc1ccc([C@@]2(c3ccnc(C)c3)c3c(cnn3C)CCN2C)cc1 963955406 POHAEDSCIHXSIU-XMMPIXPASA-N 374.532 4.246 0 1 FIAF CCCCCCc1c(C(=O)COCC(=O)O)c2cc(Cl)ccc2n1C 1772653650 KVJBBDHLTWTUGO-UHFFFAOYSA-N 365.857 4.238 0 1 FIAF Cc1cc2ccc(Nc3nccc(O)n3)cc2n1-c1cccnc1Cl 1857588890 CDTYLZBRZVAFIG-UHFFFAOYSA-N 351.797 4.227 0 1 FIAF COc1cc2c(cc1C)CCN1Cc3c(ccc(OC)c3OC)[C@H](C)[C@@H]21 2356330785 RJBZUUJYCNBKRV-QKKBWIMNSA-N 353.462 4.237 0 1 FIAF CCCC/C=C/COCC(=O)Nc1ccc(-c2nc3ncccc3[nH]2)cc1 2382234260 PDYQFOUDUKZRBD-AATRIKPKSA-N 364.449 4.326 0 1 FIAF Fc1ccc(SCCCN2CCn3c(nc4ccccc43)C2)cc1F 2382238388 DLMIRWGZTDZLEL-UHFFFAOYSA-N 359.445 4.313 0 1 FIAF CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 61926722 ADAZYBDLWVPZTI-FQEVSTJZSA-N 351.446 4.159 0 3 FIAF CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C1=O 13527918 CMJNCJLLBQHMPJ-CTNGQTDRSA-N 373.456 4.246 0 1 FIAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@@H](C)[C@H](C)C(=O)O)cc1 13756188 PFLDPOZALLKJHW-HOTGVXAUSA-N 365.477 4.483 0 1 FIAF COc1c(O)ccc2c1OC[C@@H]1c3ccc4c(c3O[C@@H]21)C=CC(C)(C)O4 14650504 JQFXBCOZQHXLQX-KDOFPFPSSA-N 352.386 4.195 0 1 FIAF endogenous,in-man CCCCC/C=C\C[C@H](O)[C@H](/C=C/[C@@H]1C/C=C\CCCC(=O)O1)OC 14768303 NGVOPKDYDKTASH-MAUBCETBSA-N 350.499 4.487 0 1 FIAF Fc1ccc([C@@H](CCCNCCCc2c[nH]cn2)c2ccccn2)cc1 26169245 PUFSWHMBBYRZHB-HXUWFJFHSA-N 352.457 4.078 0 1 FIAF O=C(c1ccn2c1CS[C@H]2c1cccnc1)c1c[nH]c2cccc(O)c12 26738805 NTMNVUZDWKQBGJ-FQEVSTJZSA-N 361.426 4.095 0 1 FIAF O=C(C[C@H](C(=O)Nc1ccccc1)N1CCCCC1)c1ccc(Cl)cc1 45355422 KLNRXPHQASERFK-LJQANCHMSA-N 370.880 4.406 0 1 FIAF Cc1c(-c2ccnc(N)n2)sc2ccc([C@@H](N)c3cccc(O)c3)cc12 49047847 QCUUDSQQOCLPFV-SFHVURJKSA-N 362.458 4.003 0 1 FIAF CCCOc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3n2C)cc1 66100475 KCVUBZDLZAEOHG-UHFFFAOYSA-N 353.418 4.012 0 1 FIAF Fc1ccc([C@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)c(F)c1 72113172 ZDAMNCNRIQMBFG-HUUCEWRRSA-N 364.758 4.495 0 1 FIAF COc1cccc([C@H](c2ccncc2)c2cc3c4c(c2)CCN4C(=O)CC3)c1 95593367 PQMAAJJDEGAAEZ-QHCPKHFHSA-N 370.452 4.106 0 1 FIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)C[C@H]2CC[C@H]1N2C 101038351 VMRNKEYMTOGQHV-PLACYPQZSA-N 353.437 4.232 0 1 FIAF CC(C)(C)CC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164817976 WPIWKTAQNHVPAW-UHFFFAOYSA-N 374.448 4.390 0 1 FIAF CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 167180033 GCAIOBXZELISKB-ZRDIBKRKSA-N 369.428 4.232 0 1 FIAF O=N[C@@H]1CCc2cc(-c3cn(C4CCNCC4)nc3-c3ccncc3)ccc21 169686128 RCDPVKCEMFLESQ-OAQYLSRUSA-N 373.460 4.290 0 1 FIAF CCNC(=O)Nc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1 473105306 RYZKRZBUWGJHKY-SREVYHEPSA-N 356.422 4.024 0 1 FIAF c1ccc(CNC[C@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 473165431 CCDMUPGGWYVSBZ-QHCPKHFHSA-N 359.469 4.135 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586963138 KVOUKEPONGJNCG-MRVPVSSYSA-N 370.265 4.312 0 1 FIAF Cc1nc(Br)sc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587012191 UXUMOJZOOBXZGE-UHFFFAOYSA-N 366.137 4.314 0 1 FIAF COC(=O)c1cccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587060391 DUNWXOQVVMEGEC-UHFFFAOYSA-N 353.765 4.325 0 1 FIAF COC(=O)C[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587107896 XDZDXAVQBDXUGW-ZDUSSCGKSA-N 357.409 4.114 0 1 FIAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(CO)cc3[nH]2)c1 587159571 SEPZWLNCNUUGCU-UHFFFAOYSA-N 362.404 4.461 0 1 FIAF Fc1ccc(-n2nnc(-c3nc4ccc5ncccc5c4[nH]3)c2C2CC2)cc1 587169242 YWWHPOWAOLVLRA-UHFFFAOYSA-N 370.391 4.375 0 1 FIAF Cc1nc2[nH]c([C@H](C)c3ccc(N(C)C)cc3)nc2cc1Br 587197956 YDCYVZWNKQQSBM-SNVBAGLBSA-N 359.271 4.247 0 1 FIAF CC(=O)NC1(c2nc3cc(C)cc(Br)c3[nH]2)CCC(C)CC1 587234108 GBEQBVMWTWPUSJ-UHFFFAOYSA-N 364.287 4.175 0 1 FIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCCC1 587395185 LHERNFVYLQEXHC-FQEVSTJZSA-N 366.461 4.283 0 1 FIAF O=C1C[C@H](c2c[nH]c3cccc(C(=O)O)c23)Oc2c1ccc1c2CCCC1 587525755 PKRHNMUEEBIBFL-LJQANCHMSA-N 361.397 4.451 0 1 FIAF CC[C@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571552 QHMSRWBHZVLGBK-GHTZIAJQSA-N 365.360 4.193 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nccnc12 587588114 RWJGJZGBNPQLMU-XMSQKQJNSA-N 370.364 4.038 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccncc3[nH]2)N1 587800561 BQHWLTRCISUGLH-XYZCENFISA-N 360.230 4.088 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCC1CCC1 587863348 GWXCPIBTTVXYER-UHFFFAOYSA-N 369.412 4.100 0 1 FIAF Cc1cc2c(cc1F)[C@@](CNC(=O)OC(C)(C)C)(c1ccccc1)NCC2 962089611 HMLJMFKDPVOYFH-JOCHJYFZSA-N 370.468 4.048 0 1 FIAF C[C@@]1(c2ccc(OCC(=O)O)cc2)NCCc2cc(-c3ccccc3)ccc21 962667921 MZOFNZUBLMWLEC-DEOSSOPVSA-N 373.452 4.226 0 1 FIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc(-c3cccc(F)c3)cc2)N1 962891540 BYGYRBGUDPNZEY-LEWJYISDSA-N 365.379 4.320 0 1 FIAF CC(C)N(Cc1nc(-c2ccco2)no1)C(=O)c1cc2ccccc2o1 2382240554 LTARIMCWTVQGRU-UHFFFAOYSA-N 351.362 4.127 0 1 FIAF CCCN(C(=O)Cc1c(C(=O)O)[nH]c2ccccc12)c1ccccc1C 201581 UWEAVNGHMZDLJA-UHFFFAOYSA-N 350.418 4.160 0 1 FIAF Cn1c(=O)c2nc(-c3ccccc3Br)oc2c2ccccc21 8375913 KLOKAVGYNCRMIH-UHFFFAOYSA-N 355.191 4.109 0 1 FIAF CC1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C2CCCC2)C4)CC1 28955183 ZGHROMVKNAMFRK-UHFFFAOYSA-N 351.494 4.298 0 1 FIAF Cn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1CCNCC1 40421867 GIPQOUBHCGMGFM-UHFFFAOYSA-N 360.820 4.002 0 1 FIAF O=c1cc(NCCCCNCc2cccc(Cl)c2)[nH]c2ccccc12 45334477 BGTLCUTVVPUPNW-UHFFFAOYSA-N 355.869 4.163 0 1 FIAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccc(Cl)c1Cl 100912936 QJUURDMOAUOHOG-YMKKBKRHSA-N 352.261 4.033 0 1 FIAF CC(=O)O[C@H]1/C=C(\C)CC/C=C(\C)[C@@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169365555 CLLDSYFHQCFUQA-REIYCVLPSA-N 364.526 4.325 0 1 FIAF Cc1c(O)ccc2c1CCN(CC(C)C)[C@@H]2c1ccc(/C=C/C(=O)O)cc1 263620487 GXHVLFQIBPXKMS-ZWPAVUJESA-N 365.473 4.402 0 1 FIAF in-vitro C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1 299845755 YKWKDJKRPXBHQV-APWZRJJASA-N 367.468 4.141 0 1 FIAF Cc1cc(Br)ccc1OCc1nc2cc(F)cc(F)c2[nH]1 586981465 POFCDLDQNNHLOA-UHFFFAOYSA-N 353.166 4.491 0 1 FIAF Clc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cn1 587030108 YBDZFDMQZRTHOJ-UHFFFAOYSA-N 366.837 4.133 0 1 FIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc3ncccc3c2[nH]1 587038673 AUGQOPYZSJRQOW-AWEZNQCLSA-N 356.451 4.094 0 1 FIAF Cc1ccc2c(ccc3nc([C@H]4CS[C@H](Cc5ccccc5)N4)[nH]c32)n1 587041743 PBVLEGIRYPDZDR-RTBURBONSA-N 360.486 4.366 0 1 FIAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587062024 NOJDEEFZPXUKIW-INIZCTEOSA-N 357.841 4.448 0 1 FIAF Cc1ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2n1 587198212 BVNLYGDRGACNHJ-KRWDZBQOSA-N 352.438 4.232 0 1 FIAF C=CC(=O)Nc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 587245103 XIEAXETVFZLTDI-UHFFFAOYSA-N 360.186 4.256 0 1 FIAF O=C1C[C@@H]2CC[C@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349200 FLQPJEGAWGUGQW-COYFIRLBSA-N 366.388 4.018 0 1 FIAF CSc1nc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)n1 587408693 DAVXUKOXPGDABV-SNVBAGLBSA-N 370.261 4.102 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)cc1C(F)(F)F)[C@@H](C2)C3=O 587419559 GUCCHUZBYUTBCH-YVEFUNNKSA-N 352.283 4.342 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(C1CCCCC1)CC2=O 587476888 BJCVZZBFEMAXKT-NRFANRHFSA-N 360.450 4.192 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1ccsc1 587656947 NEHLLZLFQZXTAI-UHFFFAOYSA-N 354.381 4.452 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2ccn3C)N1 587758608 QYGRLTBTRXGNNQ-ZMZPIMSZSA-N 363.274 4.041 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc3cnccc23)N1 587780252 ZOCUUGHKDBUVHC-YPMLDQLKSA-N 372.241 4.155 0 1 FIAF CCCC[C@@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587806047 IRAUDFBLCDJYMY-DIFFPNOSSA-N 372.278 4.071 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)C(=O)C2)N1 587824409 WAZXTOKNNVXNNT-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF CCSC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587846769 RPXBAFDQHCIJAN-VFZGTOFNSA-N 360.292 4.007 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(-c2ccco2)n1 587872504 YVJIFPBCPDRTMQ-UHFFFAOYSA-N 350.353 4.127 0 1 FIAF CCOC(=O)[C@@]1(c2ccc(Cl)c(C)c2)NCCc2cc(C)c(F)cc21 962093277 PDDBPQPGVZEAIU-FQEVSTJZSA-N 361.844 4.048 0 1 FIAF CC1=CC[C@H]([C@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)CC1 962698958 DGBOUPKZNBKBGP-LSKLOWJMSA-N 371.374 4.405 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(OC)cc2)(c2ncc[nH]2)N1 962958022 ZUPGDGUCGUCSAZ-WAIKUNEKSA-N 372.472 4.116 0 1 FIAF CCOc1ccc2cc([C@@H]3NCCc4ccc(O)cc43)c(Cl)nc2c1 963329621 PTKRNUALNOLCSE-LJQANCHMSA-N 354.837 4.228 0 1 FIAF O=C(CCc1ccc(-c2ccccc2F)cc1)NC1=C(C(=O)O)CCCC1 1772633286 OXFZQKJMXVWWHY-UHFFFAOYSA-N 367.420 4.454 0 1 FIAF COc1cc2c(cc1O)[C@@H](c1c(Cl)cccc1Cl)CN(C)CC2 1911572032 NMKSECCQSQUWGT-ZDUSSCGKSA-N 352.261 4.327 0 1 FIAF O=C(/C=C/c1ccncc1)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1 1911572551 HSYYKSCAPNHDNJ-BCTAIJSYSA-N 361.376 4.125 0 1 FIAF CC=Cc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)O2 2356545865 QLUCOUQWVFZTNA-ODXCJYRJSA-N 372.417 4.352 0 1 FIAF CC(=O)Nc1cccc(-c2csc([C@@](C)(O)c3ccc(F)c(F)c3)n2)c1 61897136 HVIPQPAOPNDHAD-IBGZPJMESA-N 374.412 4.303 0 3 FIAF COc1ccccc1-c1csc([C@@](C)(NC(C)=O)c2ccccc2)n1 61904830 QYHZGPVSVIOVMN-FQEVSTJZSA-N 352.459 4.218 0 3 FIAF O=C(c1ccc(F)cc1)C1CCN(CC[C@H]2Cc3sccc3C2=O)CC1 12356169 YJKQCYMQSRDUEQ-INIZCTEOSA-N 371.477 4.227 0 1 FIAF O=c1c(-c2ccc(F)cc2)cccn1[C@H](CN1CCCC1)c1ccccc1 13436607 OVYHMFCSGFXUKP-JOCHJYFZSA-N 362.448 4.340 0 1 FIAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@H]12 27524146 FXWZKNUSMJAEKJ-WNWBQRPISA-N 356.506 4.410 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C/C=C\CCCC(=O)O 29338474 IWSCITFBDCQRGG-FADONMQOSA-N 350.499 4.479 0 1 FIAF Cc1cc(C(N)=O)nn1-c1cccc(-c2c(F)cccc2C(F)(F)F)c1 58583829 RAYHZFDJFCLINU-UHFFFAOYSA-N 363.314 4.105 0 1 FIAF CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4ccnn4C)cc23)CC1 95585299 MBFSQZAMVIHRPT-UHFFFAOYSA-N 371.488 4.235 0 1 FIAF CCSc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1 103261307 BJXFNENCBXAMCX-IBGZPJMESA-N 351.475 4.401 0 1 FIAF O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[nH]n(-c2ccccc2)c1=O 141078132 NXCFEBHFMOKWDT-UHFFFAOYSA-N 366.726 4.069 0 1 FIAF O[C@H]1CC[C@@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 586899888 VKAZYQWHFHXEEU-OCAPTIKFSA-N 363.177 4.363 0 1 FIAF COc1cccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586988916 ZPHHSIMHZUDHGL-UHFFFAOYSA-N 368.392 4.146 0 1 FIAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587062025 NOJDEEFZPXUKIW-MRXNPFEDSA-N 357.841 4.448 0 1 FIAF COC(=O)[C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 587096313 CKPJZBAWEAZHGY-CYBMUJFWSA-N 357.409 4.033 0 1 FIAF Cc1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2n1 587166182 OONBPKBNADOUDO-UHFFFAOYSA-N 363.421 4.372 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Cl)nn3)cc1)O2 587382099 NRXUWGFQJQWKSB-GOSISDBHSA-N 365.820 4.394 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(OC(F)(F)F)cc31)O2 587382562 NCURKCKOBWKUNY-GOSISDBHSA-N 363.335 4.283 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccn(C)n3)c1)CC2=O 587474119 BIYIGLXJQNPFEU-OAQYLSRUSA-N 362.429 4.452 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3c1cnn3C)CC2=O 587475919 NPPAHZLWMYHHBY-OAQYLSRUSA-N 350.418 4.112 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3n2C)N1 587754133 CTSLQTBAERIKRD-DYZYQPBXSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccncc3[nH]2)N1 587802808 NTKPTPJKMXBJAC-XYZCENFISA-N 360.230 4.088 0 1 FIAF CCc1ccc(CC)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587944807 HOULHWGOOBGFNL-UHFFFAOYSA-N 370.453 4.072 0 1 FIAF CCOC(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 587970001 DAOXAGDXSKYPIH-UHFFFAOYSA-N 362.429 4.169 0 1 FIAF Clc1nc2ccccc2cc1Cn1nnnc1CSc1ccccc1 1772605745 ZSZQMKMEWNRSGL-UHFFFAOYSA-N 367.865 4.215 0 1 FIAF C/C=C/C[C@H](C)C[C@@]1(C)Oc2c(-c3ccc(O)cc3)cnc(O)c2[C@H]1O 2382220968 YEPWHNWXZSEUJV-QCIVSUMFSA-N 355.434 4.337 0 1 FIAF CCOCc1cc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)on1 1535252 XDVVRXSAHNDCBJ-UHFFFAOYSA-N 371.437 4.198 0 1 FIAF N=C(N)c1ccc(-c2[nH]c3cc(C(=N)N)ccc3c2-c2ccccc2)cc1 6582484 HJZSACSXIAQKAX-UHFFFAOYSA-N 353.429 4.070 0 1 FIAF CC(C)(C)n1ncc2c(=O)n(Cc3cccc(-c4cccs4)c3)cnc21 13831298 MDIFEMFRSJTICQ-UHFFFAOYSA-N 364.474 4.125 0 1 FIAF COc1ccc(C[C@]2(C)NCCc3c2[nH]c2ccc(C)cc32)cc1OC 26664991 WSCOLWBBAXUPDP-QFIPXVFZSA-N 350.462 4.097 0 1 FIAF CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@H]1N(C)CC1CC1 27562405 KUVXOCFMCXAUHS-MSOLQXFVSA-N 368.443 4.430 0 1 FIAF COc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1OC1CCCC1 29568471 XKCQUKPXCRLNRV-UHFFFAOYSA-N 352.390 4.258 0 1 FIAF CCCCC/C=C\C[C@H](O)/C=C/[C@H](O)[C@@H]1C[C@H]1[C@H]1CC=CCCC(=O)O1 34867422 ZMCHHZFBGBLCJE-NMVCQLSFSA-N 362.510 4.079 0 1 FIAF CO[C@@H]1CC=C2N(c3ccc4[nH]ccc4c3)C(=O)C[C@]2(c2ccccc2)O1 64251827 CDCNUSFWUUXJQK-FCHUYYIVSA-N 360.413 4.077 0 1 FIAF O=C(NCc1ccccc1)c1cnc(NC2CCCC2)nc1-c1ccccc1 82133253 UDDJYNMEVWELLQ-UHFFFAOYSA-N 372.472 4.428 0 1 FIAF CCCOCCCNc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 82164029 DKVZHUQLYHKNHZ-UHFFFAOYSA-N 370.428 4.475 0 1 FIAF CCCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1 82224557 PFKNZXPRMLYUSV-UHFFFAOYSA-N 352.482 4.418 0 1 FIAF FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccccn4)n3n2)c1 95602610 OJDUYQRMAQCOHH-UHFFFAOYSA-N 373.363 4.356 0 1 FIAF CN[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)c(C)c1 102788095 QUFVCQSBHRJKFG-HSZRJFAPSA-N 351.859 4.150 0 1 FIAF CC(C)O[C@@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 103173640 BWDXPLJDQZGNMP-GOSISDBHSA-N 350.447 4.054 0 1 FIAF CO[C@@](C(=O)OCC[C@H]1CCCN1C)(c1ccccc1)C1CCCCC1 169365698 BUABEPGVYMMDKB-IRLDBZIGSA-N 359.510 4.136 0 1 FIAF FC(F)(F)c1cc(OCCCN2CCCC2)nc(-c2ccccc2)n1 299820813 HXEMUWDHZSSMEC-UHFFFAOYSA-N 351.372 4.027 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1 586915936 JFKNIOSWEXTAAU-ORAYPTAESA-N 355.825 4.136 0 1 FIAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)C(C)C 586933023 LSCRJYGTMGSFRZ-KRWDZBQOSA-N 365.543 4.277 0 1 FIAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc3c(c2[nH]1)CCCC3 586983810 JIDYKUHSZBKYSF-INIZCTEOSA-N 370.294 4.447 0 1 FIAF Cc1c(-c2nc3ccc(Cl)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074047 PMUQFTBEUBZJFA-UHFFFAOYSA-N 358.232 4.485 0 1 FIAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587172138 WSSWJEBVTCWNSA-NSHDSACASA-N 355.438 4.483 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2CCO)[C@@H]1c1ccc(F)cc1 587352661 LOGCNAHORFVRLX-QPJICYPMSA-N 370.420 4.202 0 1 FIAF CSC(=C[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1)SC 587408683 HQJRNQQLQDTCEB-LJQANCHMSA-N 372.515 4.400 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1cccnc1)[C@@H](C2)C3=O 587436346 OENYAFUJIBHJAU-MBSDFSHPSA-N 373.408 4.158 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OCC)C[C@@H]1C)CC2=O 587481671 RGMGQLUAJXJACW-PXIJXODZSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc([C@@H]3CCCO3)s1)CC2=O 587494109 IEZUZAYJBYLRAP-JKSUJKDBSA-N 359.447 4.359 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](C(=O)c1ccc(SC)cc1)CC2=O 587494823 YVFRLRFVTXVJSY-GOSISDBHSA-N 356.443 4.283 0 1 FIAF CC(=O)Oc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525196 QQILPQGPSMEPMN-QFIPXVFZSA-N 350.414 4.371 0 1 FIAF Cc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587610961 HPJAVLSWOFTJJW-JXFKEZNVSA-N 367.426 4.343 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccsc12 587617560 KHBMGYKMCSEUOA-JXFKEZNVSA-N 350.395 4.257 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(C(C)(C)C)N1 587740306 JEQRGHOHAUWWGV-HZWAIJNJSA-N 369.322 4.439 0 1 FIAF CC[C@@]1(c2ncccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587773953 SRNYFOZUTCPPBC-KZULUSFZSA-N 363.274 4.479 0 1 FIAF Cc1cc(O)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587835728 XRZPBCIIPCKFMC-QGHHPUGFSA-N 350.231 4.226 0 1 FIAF Cc1cccc(N2CCN(Cc3ccccc3-c3ncccn3)CC2)c1C 621476102 KWZRMNNHCHVDKK-UHFFFAOYSA-N 358.489 4.083 0 1 FIAF CCOC(=O)[C@@H]1CC[C@]2(C=C1C)N[C@H](CC)Cc1c2[nH]c2ccccc12 962957864 ZKXHGWNTHMWFMW-XCGNWRKASA-N 352.478 4.207 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cccc2cnccc12 963036923 PRATWVIVJAGBOF-HSZRJFAPSA-N 355.441 4.201 0 1 FIAF Cc1ccnc2c1CCN[C@@]2(Cc1ccccc1Br)C1CC1 963066237 FXZVTJDHALAUCB-IBGZPJMESA-N 357.295 4.146 0 1 FIAF COc1cccc(OCc2ccccc2)c1[C@@]1(C)NCCc2c(C)ccnc21 963078158 XMHBIMFJIZOTPP-XMMPIXPASA-N 374.484 4.387 0 1 FIAF O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 1256790762 WMSHUJRFPYYDRH-UHFFFAOYSA-N 371.845 4.372 0 1 FIAF NCCC1=C[C@H](CCCCCCCCC=C[C@@H](CO)CC(=O)O)CC1 2356315763 JLZZBBJQOBMZMR-UYAOXDASSA-N 351.531 4.432 0 1 FIAF COc1ccccc1-c1ccc2c(c1)COCC(=O)N2Cc1ccccc1 74375347 XGXSPBQMSMOGGT-UHFFFAOYSA-N 359.425 4.426 0 3 FIAF COc1cc(NC(C)=O)c(Cl)cc1-c1nc(C)c(-c2cccnc2)[nH]1 607406 GZMDJFGGSUILDA-UHFFFAOYSA-N 356.813 4.068 0 1 FIAF Clc1ccc(COc2ncn(-c3ccccc3Br)n2)cc1 2524283 PYSJDPVWCZSPER-UHFFFAOYSA-N 364.630 4.262 0 1 FIAF COC(=O)c1cc(C=C2c3ccccc3C(=O)c3ccccc32)ccc1O 13524975 LSUOPHVLCMJBBF-UHFFFAOYSA-N 356.377 4.312 0 1 FIAF CCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1 13799193 WTYNOFOXDOHJBE-UHFFFAOYSA-N 361.489 4.243 0 1 FIAF COC(=O)[C@]1(c2ccccc2)C[C@H]1CN1CCC(Cc2ccccc2)CC1 28634773 XYCUTALELYDXDC-UPVQGACJSA-N 363.501 4.072 0 1 FIAF OCc1ccc(-c2cc(Br)c(O)c(Br)c2)cc1 29412234 WTWDFYHCMOLSRI-UHFFFAOYSA-N 358.029 4.077 0 1 FIAF O=C(N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1ccccc1F 45228094 BLWIMNLEJJNITC-CQSZACIVSA-N 369.827 4.036 0 1 FIAF CN(C)CCc1cn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2s1 45496170 AWNKCESEXLYYNM-UHFFFAOYSA-N 366.465 4.368 0 1 FIAF CCc1nc2ccccn2c1C(=O)NCc1ccc(-c2ccccc2)cc1 72317074 JHQZZTQXVMYWMQ-UHFFFAOYSA-N 355.441 4.494 0 1 FIAF O=C1c2ccccc2-c2cc(CCN3CCCCC3)nc3ccc(O)c1c23 586987961 ISGVPFNSQPSTAT-UHFFFAOYSA-N 358.441 4.180 0 1 FIAF Brc1ccc2cc(-c3nc4cc5cn[nH]c5cc4[nH]3)cn2c1 587007159 YLZANSLXVKSJKG-UHFFFAOYSA-N 352.195 4.121 0 1 FIAF Cc1c(Cl)ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 587110821 CWSVGMFSYBXKPF-UHFFFAOYSA-N 367.758 4.474 0 1 FIAF Cc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2n1 587116946 NGTAUMCTWOCFBC-UHFFFAOYSA-N 369.778 4.255 0 1 FIAF COc1c(F)ccc(-c2nc3cc(C)cc(Br)c3[nH]2)c1N 587134227 KNVNJQWREJOBCA-UHFFFAOYSA-N 350.191 4.031 0 1 FIAF COC(=O)c1cccc2nc(-c3cc(F)c(C)cc3Br)[nH]c12 587137706 HHPNWIBSXAOLKJ-UHFFFAOYSA-N 363.186 4.227 0 1 FIAF O=C(O)c1ccc(-c2cc(-c3nc4cc(F)cnc4[nH]3)ccc2F)cc1F 587138756 ULJIADCUUXIVQV-UHFFFAOYSA-N 369.302 4.407 0 1 FIAF CCOC(=O)CNc1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 587227443 MXIVRVDUISBFMV-UHFFFAOYSA-N 365.767 4.137 0 1 FIAF O=C1c2ccc(O)cc2OC2(CCC3(CC2)COC3)[C@H]1c1ccc(F)cc1 587361624 ZXNIOVXPPJZKMP-IBGZPJMESA-N 368.404 4.220 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1ccc(F)cc1F)O2 587384852 JQNKHBWWMAUBGN-NRFANRHFSA-N 366.367 4.159 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc3ccccc3c1)O2 587392130 WZRXNZWEYAUNIF-QHCPKHFHSA-N 374.440 4.483 0 1 FIAF COc1ccc(-c2noc(C)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587396181 XJBCXDYZJPJYJC-GOSISDBHSA-N 364.401 4.256 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2-c2ccccc21 587409015 SWJJNGPBRURMBD-QHCPKHFHSA-N 355.393 4.301 0 1 FIAF Cc1cccnc1NC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511705 MZAQYUBXVBKGSC-QFIPXVFZSA-N 364.445 4.022 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cccc1Cl 587540594 BBYIFONDETYWNO-FXAWDEMLSA-N 368.772 4.454 0 1 FIAF C[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 587606172 BXZJWYXKYGEPGA-ODMCQALKSA-N 374.392 4.420 0 1 FIAF CC[C@H](C)c1ccc2[nH]c(-c3cn(C)nc3C)c(N3CCOCC3)c2c1 587643994 YLLRZHWOULOBON-AWEZNQCLSA-N 352.482 4.227 0 1 FIAF CCCCn1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587664146 BDVSUKFELJCQPL-UHFFFAOYSA-N 365.477 4.415 0 1 FIAF CCn1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587754198 DGUNSNCWYBTEMG-XYZCENFISA-N 366.278 4.045 0 1 FIAF Cc1cc(-n2c(O)cc(-c3ccccc3)c2O)nn1Cc1ccccc1F 587944258 BSCROEMEFUPGPP-UHFFFAOYSA-N 363.392 4.248 0 1 FIAF CC[C@]1(Cc2nc3cc4c(cc3[nH]2)OCCO4)CC(=O)c2ccccc2C1 587962328 XMSQMVRRVDPXEP-JOCHJYFZSA-N 362.429 4.102 0 1 FIAF CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccc(OC)c2ccccc12 617980740 VAKNWDNQXHDRCU-HVESIFNPSA-N 356.447 4.045 0 1 FIAF CCOC(=O)CCC[C@@]1(C)c2ccsc2CCN1Cc1cccnc1 963005154 HCNOJURTLBUPCS-FQEVSTJZSA-N 358.507 4.150 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)[C@@H](C)Oc1cccc(F)c1 963057013 OFHTXKXLILMKLG-PEBXRYMYSA-N 366.436 4.211 0 1 FIAF O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)N=C2SCCN12 1857643549 IRTUCEKNLHYDDY-BOPFTXTBSA-N 370.861 4.205 0 1 FIAF COCCCn1c(-c2ccc(C(C)C)cc2)cc(CN2CCOCC2)c1C 1857766421 ZITXXXNBSWGWGH-UHFFFAOYSA-N 370.537 4.456 0 1 FIAF CC(C)c1ccc(Nc2nn3c(=O)cc(C(F)(F)F)nc3s2)cc1 1857772306 UZXKNLTUFFIXEM-UHFFFAOYSA-N 354.357 4.037 0 1 FIAF CCCCCC=CC[C@H](O)[C@H](C=C[C@H]1CC=CCCCC(=O)O1)OC 2356378527 NGVOPKDYDKTASH-AABGKKOBSA-N 350.499 4.487 0 1 FIAF CCC=CCC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CC=CCCC(=O)O 2356635703 HLHYXXBCQOUTGK-NHCUHLMSSA-N 360.494 4.491 0 1 FIAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCCC[C@@]1(C)C[C@@H](CO)C(=O)O1 2356824213 GTNWPOFMIVGESM-YWMUFLPLSA-N 366.498 4.254 0 1 FIAF C[C@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)CCC1CCCC1 61905828 GFYOUSRPBVSONT-HSZRJFAPSA-N 368.521 4.465 0 3 FIAF O=C(O)CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1 29548236 PTHAKMOXOQOCAR-UHFFFAOYSA-N 370.399 4.132 0 1 FIAF Cc1ccc(CN2C(=O)c3ccccc3[C@]2(O)c2ccc(Cl)cc2)cc1 66101355 SBGUDSXIHMTBNZ-JOCHJYFZSA-N 363.844 4.498 0 1 FIAF O=C(c1ccccc1)N1c2ccccc2S(=O)(=O)c2ccc(Cl)cc21 72107408 IHSGWPYYYXFJBJ-UHFFFAOYSA-N 369.829 4.465 0 1 FIAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)C4CCCC4)C[C@@H]2N3)cc1 100099990 IWLYJJMVTCGGQB-NUNAXRQHSA-N 360.501 4.118 0 1 FIAF CCO[C@@H](CC(=O)O)c1ccc(O[C@H]2CCc3c(OC)cccc32)cc1 116390610 OXWCJXISSNZOGS-PMACEKPBSA-N 356.418 4.314 0 1 FIAF CCOC(=O)/C=C1/CC[C@H]2[C@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 195316788 SLLCGKGKUIUVBU-PIIFAQIMSA-N 371.521 4.465 0 1 FIAF Clc1cc(Br)cc2nc([C@@H]3COc4ccccc4O3)[nH]c12 586918986 VQHAOZDRARPIPN-ZDUSSCGKSA-N 365.614 4.491 0 1 FIAF Cc1c(-c2nc3c(Cl)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587028840 ABGBUCNYDSGDHN-UHFFFAOYSA-N 356.838 4.366 0 1 FIAF COC(=O)[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587097308 LDYYXCRSJIUNEE-KRWDZBQOSA-N 357.409 4.348 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587233588 TWWJDXWAIROHCM-QWRGUYRKSA-N 370.375 4.138 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCc3cccnc32)[C@H]1c1ccc(F)cc1 587346859 NUMXUHYZTFCJKB-SIKLNZKXSA-N 361.372 4.127 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cccc(C(=O)O)c13)CC2=O 587487162 VKIHRROARZBQFY-SFHVURJKSA-N 365.385 4.231 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(CCC(=O)O)c1)CC2=O 587492949 ZPRWBWMSLOHBJZ-IBGZPJMESA-N 354.402 4.068 0 1 FIAF COC(=O)c1cc(OC)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527636 XMHZTZGJLRAJEZ-HXUWFJFHSA-N 366.413 4.067 0 1 FIAF Cc1cccc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608098 JOUNFZKVVYEWMS-AUSIDOKSSA-N 374.392 4.340 0 1 FIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(Cl)c(OC)cc3[nH]2)cc1 587783847 AYSXPFOHUIENOA-QWHCGFSZSA-N 356.809 4.168 0 1 FIAF CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587814470 ZNTGVLSSEIUOPG-UDTVLSCZSA-N 356.279 4.153 0 1 FIAF CCOC(=O)Cc1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2c1 587927521 QAUPDYBHGBEMCZ-UHFFFAOYSA-N 364.445 4.065 0 1 FIAF COc1cc2c(cc1OC)[C@@]1(Cc3ccc(Cl)cc3C1)N(C)[C@@H](C)C2 962637394 WTVJTXDYEGLQBQ-ZSEKCTLFSA-N 357.881 4.228 0 1 FIAF O=C(O)[C@]1(c2ccc3c(c2)CCCC3)c2c(F)cccc2C[C@@H]2CCCN21 963109023 UERTUDKMWXONJR-CVDCTZTESA-N 365.448 4.053 0 1 FIAF Cc1noc(C)c1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 1857568213 YLDQYSJOXZDHDL-UHFFFAOYSA-N 370.380 4.173 0 1 FIAF Cc1nc(-c2ncc3c(-c4ccccc4C(F)(F)F)ccnc3c2O)n[nH]1 1911581631 QEXIYHNNHUUTRG-UHFFFAOYSA-N 371.322 4.115 0 1 FIAF CC(=O)O[C@H]1CC(C)=CCC=C(C)CC(=O)CC2=C[C@@H](OC2=O)[C@H]1C(C)C 2356587779 WYZRLZZDCWHGLN-HBMCJLEFSA-N 374.477 4.078 0 1 FIAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccnc(C(F)(F)F)c3)nc2c1 2382257172 AEHBPIDWECBOEO-RUZDIDTESA-N 370.267 4.478 0 1 FIAF COc1cc(F)ccc1-c1csc([C@@H](NC(C)=O)c2ccccc2)n1 61928123 IBSINTNSLSQFSE-SFHVURJKSA-N 356.422 4.183 0 3 FIAF Clc1ccc(COC[C@@H](c2ccccc2)N2CCNCC2)cc1Cl 22926744 CWHYCZQXHMPNPS-IBGZPJMESA-N 365.304 4.157 0 1 FIAF Cc1nn(CCc2ccncc2)c(C(=O)Nc2ccc(Cl)cc2)c1C 28822062 QXAAHBYYWKTSEX-UHFFFAOYSA-N 354.841 4.043 0 1 FIAF O=C(Nc1ccc(O)cc1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 28868160 YTHNMZSSIPVUMR-UHFFFAOYSA-N 369.384 4.064 0 1 FIAF CSc1ccc(C2=C(c3ccc(O)cc3)C(=O)N3CCC[C@@H]3C2)cc1 29402214 DFKFVKMDCKFSRB-MRXNPFEDSA-N 351.471 4.420 0 1 FIAF C[C@H](O)CN1CCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 36160965 DGAHSQWDPUWZAR-YCRPNKLZSA-N 365.452 4.401 0 1 FIAF CCCN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 45335119 FWNMPUHXDUWLKG-UHFFFAOYSA-N 371.912 4.120 0 1 FIAF CC(C)CNc1ncnc2c1nc(C1CCCCC1)n2C[C@H]1CCCO1 82177987 QPHJXUXRNAWSDN-MRXNPFEDSA-N 357.502 4.121 0 1 FIAF O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)c1ccccc1 103261286 LWBRNJHZBPKTCI-KRWDZBQOSA-N 359.351 4.308 0 1 FIAF CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N1C[C@@H](C)c1ccc(F)cc1 143913920 VRMQGBZIVDYVLM-QRWLVFNGSA-N 368.452 4.043 0 1 FIAF Cc1ccccc1-n1c(O)cc(Sc2nnc(-c3ccccc3)o2)c1O 169688239 PRVYTEQZOPJSGQ-UHFFFAOYSA-N 365.414 4.398 0 1 FIAF Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccsc1)[C@@H]1C(=O)CCCC1=N2 169690522 DQUQBMQRDYUDDO-MOPGFXCFSA-N 362.458 4.224 0 1 FIAF CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@]4(C)[C@H]3CC[C@@]21C 299872473 DUSHUSLJJMDGTE-LARKUSAKSA-N 374.908 4.037 0 1 FIAF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC(=O)C(C)C)ccc3CC[C@@H]12 473123941 MPNBIHVLCWBLTB-QIJUGHKUSA-N 358.478 4.431 0 1 FIAF N=c1[nH]c(-c2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cs1 587022554 YTZOWYNTGIUFCK-UHFFFAOYSA-N 362.245 4.468 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc(C3(c4cccc(Cl)n4)CC3)nc1-2 587083933 DEMCIAWOVHUREK-UHFFFAOYSA-N 374.153 4.105 0 1 FIAF Fc1cccc([C@H]2C[C@@H]2c2nc3c(Br)ccnc3[nH]2)c1F 587149766 AZHJJOVUKUTDKP-BDAKNGLRSA-N 350.166 4.270 0 1 FIAF CCOC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346462 BWFMPTZOAPCWIA-GNSUPJDDSA-N 370.420 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ncc1Br)O2 587374873 ZRTMMWCNRKQQAJ-CYBMUJFWSA-N 367.630 4.095 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](OCc3ccccc3)C[C@H]1F)O2 587383365 SHDBOXDBPDVPOH-AQKFKSFVSA-N 369.436 4.389 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccccc1N)O2 587389516 KXHMKLXJXIXCSY-QHCPKHFHSA-N 358.441 4.263 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416397 AGYBRKXSTDLBIE-KSSFIOAISA-N 359.219 4.121 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(c1ccccc1N)CC2=O 587472535 JIIDNFZKUWNJQU-HSZRJFAPSA-N 374.440 4.231 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CCCNC1)CC2=O 587487338 VGCUPYDRGVIHBK-GAJHUEQPSA-N 365.473 4.205 0 1 FIAF C[C@@]1(c2ccc(Cl)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551073 CSWHOZLTNHVHPG-PXNSSMCTSA-N 367.788 4.318 0 1 FIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Cl 587553860 WITPYVHNESTKPW-LPHOPBHVSA-N 367.788 4.452 0 1 FIAF Cc1ccccc1OC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597708 ZTNJPNZJVOGUAC-WOJBJXKFSA-N 362.381 4.110 0 1 FIAF CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc(F)c12 587634110 SLCIUAATUJRRHR-UHFFFAOYSA-N 357.328 4.396 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2Cl)N1 587692003 AIJNQWMBAQDZLQ-GLEZIHRCSA-N 355.638 4.260 0 1 FIAF CC[C@H](CCC(=O)OC)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587804647 DUJSNZUYSKXZKQ-WVQJBOLRSA-N 372.278 4.143 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCOC(C)(C)C2)N1 587835378 WCOUKBWNNMBKDF-UVWXRNBGSA-N 356.279 4.369 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(OC)nc1 587865781 ITEIDROWFWNUHK-UHFFFAOYSA-N 363.339 4.360 0 1 FIAF C[C@]1(c2cnsc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962647777 WLAMXXMWYPHORO-IRLDBZIGSA-N 361.514 4.154 0 1 FIAF COc1cccc2cc3c(nc12)[C@@H](c1cc(C)ccc1OC(F)F)NCC3 963051393 FGFYQDVFZYHNAW-HXUWFJFHSA-N 370.399 4.388 0 1 FIAF Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2nc(NC3CC3)[nH]c12 1772628838 CPQRZDPSADFJEU-UHFFFAOYSA-N 362.437 4.416 0 1 FIAF COC(=O)c1ccccc1OCc1oc(-c2ccccc2OC)nc1C 1857760019 PJVJIKFRSSTPHA-UHFFFAOYSA-N 353.374 4.024 0 1 FIAF Fc1ccc2c(c1)CC[C@@H](c1nnc([C@H]3CCc4cc(F)ccc4O3)o1)O2 1911585812 SUQYXKHAJWBLRF-HDICACEKSA-N 370.355 4.480 0 1 FIAF CCCCCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@H]1CC=CCCC(=O)O1 2356457012 ZMCHHZFBGBLCJE-XIYVOTBMSA-N 362.510 4.079 0 1 FIAF Cc1ccc(CSc2nnc(-c3ccncc3)n2C[C@@H]2CCCO2)cc1 915206 VRZXJGJTTAAZRH-SFHVURJKSA-N 366.490 4.120 0 3 FIAF O=C(c1cccc(Cl)c1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 6476043 XKYCTMLWQRLXAN-INIZCTEOSA-N 367.836 4.410 0 1 FIAF CCOC(=O)/C(=C\c1ccnc2ccccc12)P(=O)(OCC)OCC 13214891 PZABUELMIXZEIR-GHRIWEEISA-N 363.350 4.405 0 1 FIAF O=C(NC1CCCC1)Oc1cccc(C(=O)c2nc3ccccc3o2)c1 28710777 CXCVLQHCAPSSLH-UHFFFAOYSA-N 350.374 4.090 0 1 FIAF COc1ccc2c(c1C)NC(=O)[C@@]2(c1ccc(O)cc1)c1ccc(F)cc1 64549115 OUTYGGPBFFQOSY-JOCHJYFZSA-N 363.388 4.135 0 1 FIAF Cc1csc(N(C)C(=O)CSc2ccc(-c3ccccc3)cn2)n1 84653746 DNKZEMYIKPNZFQ-UHFFFAOYSA-N 355.488 4.269 0 1 FIAF Cc1cccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C2=NC(=O)CS2)c1 95575522 DINGLXQCPYVJND-LJQANCHMSA-N 363.486 4.392 0 1 FIAF O=c1[nH]c(CC2CCCC2)nc2c1cnn2-c1cc(Cl)ccc1Cl 116227972 SGPFUGKOBZNOGC-UHFFFAOYSA-N 363.248 4.148 0 1 FIAF CCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)oc12 299869012 SYOAAQQVEDDGIG-UHFFFAOYSA-N 373.449 4.043 0 1 FIAF Cc1nc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2cc1Br 586888759 YCRHTTUBBLWKQT-UGSOOPFHSA-N 354.251 4.400 0 1 FIAF CCN1C(=O)C[C@@H](c2nc3cccc(OC)c3[nH]2)[C@@H]1c1ccccc1Cl 587062652 ZNZYCKALWAENPV-YJYMSZOUSA-N 369.852 4.302 0 1 FIAF Cc1c(Br)cnc2[nH]c(-c3cn(C)cc3C(F)(F)F)nc12 587113227 UGYLWTRIZIFXLA-UHFFFAOYSA-N 359.149 4.053 0 1 FIAF CC(C)(C)OC(=O)N1C[C@H]2CCc3nc4cccc5c4c(c3[C@@H]2C1)CC5 587212299 NAZBBARJADAOJJ-GDBMZVCRSA-N 350.462 4.230 0 1 FIAF COc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1C 587235049 DHAMYIPQBOKNGR-ZIAGYGMSSA-N 359.470 4.431 0 1 FIAF CC1(C)[C@H]2OCC[C@H]2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587359414 RPLOHTAGBZAFPG-MDRHQERFSA-N 368.404 4.074 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1ccc(F)c(C)c1)O2 587381040 FRDYOWNKYJMKLJ-JOCHJYFZSA-N 362.404 4.329 0 1 FIAF COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)OC1(C)C)[C@@H](C2)C3=O 587455032 HTFSFCTUKKEEJS-AQOAWAETSA-N 350.414 4.122 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc3ccc(Cl)cn13)CC2=O 587458750 BGDJFIRGOBYDPQ-KRWDZBQOSA-N 356.809 4.352 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3cc(C)c(C)cc31)CC2=O 587491008 MSSJVWOMYJDVOD-QFIPXVFZSA-N 366.413 4.131 0 1 FIAF COC(=O)c1cc(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528112 ZRWZJNAUBPIPGU-FQEVSTJZSA-N 350.414 4.367 0 1 FIAF Cc1cnc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587552485 RUIQQTWNQUTSPG-QFBILLFUSA-N 367.788 4.452 0 1 FIAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587650273 QVICQYJJGUZMSO-UHFFFAOYSA-N 363.385 4.048 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Cl)N1 587708695 ZEKQTHGZVXHXDW-RMLUDKJBSA-N 355.638 4.260 0 1 FIAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C(C)C 587766850 XKGKPXMDCYUPIB-BMLIUANNSA-N 366.278 4.298 0 1 FIAF Cc1cccnc1C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587767825 BGANPYJEGUWUEE-KZULUSFZSA-N 363.274 4.284 0 1 FIAF CC(C)c1nccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587775290 QNHMJBGWCZCPIJ-MGPLVRAMSA-N 364.262 4.125 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccc3cc[nH]c23)N1 587807776 XZZGGEICAIBBHX-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccnc2ccccc12 587870651 OOKQROXYUQZTGH-UHFFFAOYSA-N 361.376 4.325 0 1 FIAF CCOC(=O)[C@@H]1[C@@H](C)ON(c2ccccc2)[C@H]1c1c[nH]c2ccccc12 1857653065 KCPYKSYOZFHRAF-XMCHAPAWSA-N 350.418 4.229 0 1 FIAF Cc1cc(NC(=O)c2c(O)nn3ccccc23)ccc1Oc1ccccc1 1857747552 VXISEANZJOYOLZ-UHFFFAOYSA-N 359.385 4.393 0 1 FIAF CC(=O)OCC1=CCC=C(C)C[C@H](O)[C@H]([C@H](C)CCC=C(C)C)[C@H]1CO 2356798490 PJCXILAVHZAFDU-KDXIVRHGSA-N 364.526 4.184 0 1 FIAF Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12 3649839 COHPEUUUDGXEPG-UHFFFAOYSA-N 367.493 4.145 0 3 FIAF Cc1ccc(OC[C@@H](O)CNC(C)(C)Cc2c[nH]c3ccccc23)c(C)c1 26741736 UYBWQFTZFRTCDN-IBGZPJMESA-N 366.505 4.135 0 1 FIAF O[C@@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccccc1 28458446 XXLPQPDHXVTHMM-RBZQAINGSA-N 373.496 4.127 0 1 FIAF CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 34617561 NDXYTNAADQPUPE-FCJDFRRUSA-N 372.505 4.390 0 1 FIAF Cc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c4ccncc4c3c2)c(C)c1 64548701 WGDHSTSMUHBVMW-UHFFFAOYSA-N 365.458 4.442 0 1 FIAF O=C(Cc1ccc(Cl)cc1Cl)N[C@H]1COc2c1ccnc2C1CC1 146573253 AALBYFSDQNYVFB-HNNXBMFYSA-N 363.244 4.058 0 1 FIAF CC(C)Cn1cc(-c2ccc(CNC(=O)N3Cc4ccccc4C3)cc2)cn1 167473833 KLIZOWBVNLQAHW-UHFFFAOYSA-N 374.488 4.432 0 1 FIAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CCC(C)(C)O 169315290 OJPPYIBDSQTJCY-BSDZUQITSA-N 365.517 4.106 0 1 FIAF O[C@@H]1C[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2ccccc21 586901218 GCJDHOPWNIWAHJ-ZWNOBZJWSA-N 369.293 4.181 0 1 FIAF Cc1nc(COc2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)cs1 587020491 TZYDXZNRVNTUMS-UHFFFAOYSA-N 357.826 4.017 0 1 FIAF CCOC(=O)[C@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587096222 BDKSLPGPFWAJDW-INIZCTEOSA-N 357.409 4.348 0 1 FIAF O=C(CCc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(F)cc1 587163314 PABULFHNSDLSQG-UHFFFAOYSA-N 365.177 4.419 0 1 FIAF Fc1ccc(-n2nnc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2C2CC2)cc1 587168220 GDHLFUNRRCFBFH-UHFFFAOYSA-N 372.766 4.015 0 1 FIAF Fc1cc2c(c(Cc3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c1)OCOC2 587171550 OIAOWDPXNKWBSG-UHFFFAOYSA-N 370.277 4.317 0 1 FIAF COc1cccc(-c2cc(CN3CCOCC3)nc3c2oc2ccccc23)c1 587362020 ANFVDALFCVJMIA-UHFFFAOYSA-N 374.440 4.489 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC3CCCCC3)nc1)O2 587393306 FTEXISRLVNXPBP-IBGZPJMESA-N 352.434 4.390 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc(Cl)s1)O2 587411256 RZHNDZDJUFVEKV-DKFQHHCZSA-N 362.882 4.228 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1Br)[C@@H](C2)C3=O 587414139 SVRZIHOFLUQYNE-UGSOOPFHSA-N 359.219 4.121 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCCO)(c1ccc(F)cc1)CC2=O 587466031 IKTJGJUQTQXBFV-NRFANRHFSA-N 358.409 4.117 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(OC)cc1F)CC2=O 587468696 ZAMIIHUCLHMYMK-NRFANRHFSA-N 374.408 4.382 0 1 FIAF O=C1CC2(CCN(c3cccc(F)n3)CC2)Oc2c1ccc1c2CCCC1 587503482 FQTIYRZOCWUYIU-UHFFFAOYSA-N 366.436 4.104 0 1 FIAF C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567799 CEHPQVAUSPVWPJ-NQIIRXRSSA-N 350.345 4.408 0 1 FIAF C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571424 OECWDOVUSYLCTH-NQIIRXRSSA-N 350.345 4.408 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(O)cc1 587609691 OYDYGHWOWYNLNP-UYAOXDASSA-N 362.381 4.061 0 1 FIAF O=C(CCSc1ccc(F)cc1)n1ncc2ccc(Cl)cc2c1=O 587652096 KWLLBMFXQBMAGN-UHFFFAOYSA-N 362.813 4.012 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ncc2Cl)N1 587738816 QVQPPTKBAWWLOR-KWKYVRJSSA-N 373.628 4.399 0 1 FIAF C[C@@H]1CCCN(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587760141 ISAXLRJKMUSGEY-VFVRVIDISA-N 369.322 4.070 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccncc23)N1 587805242 SQTXEYBLIOBBCO-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(s2)CCC3)N1 587857494 KNPJWQUBYVTMSM-ANRSDYALSA-N 367.287 4.157 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccnc1Cl 587865301 TXWJHONBVGKUEC-UHFFFAOYSA-N 368.746 4.400 0 1 FIAF CC(C)(C)OC(=O)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)nc1 587874433 AHGLKPVLFQIVFZ-UHFFFAOYSA-N 353.353 4.134 0 1 FIAF COc1ccc(/C=C/Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c(OC)c1 587929360 NZCBDJSCVBZAGR-ONEGZZNKSA-N 363.339 4.250 0 1 FIAF Cc1ccn(-c2ccc(C(=O)N3CCC[C@H](N(C)C)c4ccccc43)cc2)n1 1857643590 QXGRXDKEUNNREG-NRFANRHFSA-N 374.488 4.224 0 1 FIAF Cc1cc(Oc2ccc(C(=N)N)cc2)nc2cc(Br)ccc12 13535232 JEAROQGNASDEHL-UHFFFAOYSA-N 356.223 4.382 0 1 FIAF O[C@](Cn1ccnc1)(c1ccc(F)cc1)c1cccc(-c2ccccn2)c1 26941345 IDMXNYQQLJPJQO-JOCHJYFZSA-N 359.404 4.020 0 1 FIAF Cc1c(O)cccc1NCc1nc2c(sc3ccc(Cl)cc32)c(=O)[nH]1 45319870 AQCMZXFFUKRLMT-UHFFFAOYSA-N 371.849 4.417 0 1 FIAF CSc1ccc(Cc2nnc3sc(-c4ccc(F)cc4)nn23)cc1 45506096 WJBWDPOHXCEQQG-UHFFFAOYSA-N 356.451 4.305 0 1 FIAF C[C@@]1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2c(F)ccc(F)c21 49072115 UDAOAODUTRFIQO-MRXNPFEDSA-N 358.793 4.090 0 1 FIAF O=C(c1ccc(Oc2ccccc2)cc1)c1cc2cc(O)ccc2n1CCO 66079149 SAPIWWZIXOXVFF-UHFFFAOYSA-N 373.408 4.363 0 1 FIAF Cc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(Cl)cncc2Cl)c1 73159913 INDXUMYCESLZLH-OAHLLOKOSA-N 354.262 4.179 0 1 FIAF Cc1cccc(OC2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)c1 103269143 WNMPCTBMTFHJNC-RTWAWAEBSA-N 350.462 4.104 0 1 FIAF CCCC(=O)OC1CCC(OC2CCC(OC(=O)CCC)CC2)CC1 103274963 BEDWQDXRPKNXLC-UHFFFAOYSA-N 354.487 4.312 0 1 FIAF Cc1nnc(C)n1-c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1 147770261 APHLKTRFJXQHLQ-GOTSBHOMSA-N 374.488 4.025 0 1 FIAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3CCC3)[nH]c2c1 586885250 ZJQDSPZWWMSLRL-UHFFFAOYSA-N 361.854 4.285 0 1 FIAF Clc1nccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012267 HTOJCZMNFJWCDS-UHFFFAOYSA-N 355.648 4.375 0 1 FIAF N[C@@H](N=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133934 FOFJAHGSUJUDOQ-OUMXJLHTSA-N 368.265 4.153 0 1 FIAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(F)cnc3[nH]2)cc1F 587144506 NJOVDEBQZIRRMW-UHFFFAOYSA-N 365.339 4.143 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(OC(F)(F)F)cc31)O2 587382565 NCURKCKOBWKUNY-SFHVURJKSA-N 363.335 4.283 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c(C(=O)O)c1)(C1CCCCC1)O2 587396375 JXNZVRPRLFNSQI-NRFANRHFSA-N 368.433 4.045 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc4c(Cl)nccc4c1)[C@@H](C2)C3=O 587423795 ZKGJNNWSSHOTAT-HNAYVOBHSA-N 351.789 4.386 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)C[C@@H](C)N3C)CC2=O 587475441 LYLSNCOYYAVOHY-ASSNKEHSSA-N 351.446 4.432 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc3c(c1)OCCO3)CC2=O 587493190 SWDLPXCMHCOEEO-OAHLLOKOSA-N 368.429 4.083 0 1 FIAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587572096 NFRGVICYOHBIKZ-UGKGYDQZSA-N 361.397 4.161 0 1 FIAF CC(C)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587579327 DHIQGAPNAVCLLD-RXVVDRJESA-N 364.401 4.047 0 1 FIAF CN1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587596163 RECOMLJDCVWYDL-NFBKMPQASA-N 373.408 4.087 0 1 FIAF COC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCCC1 587600200 MUBRKBXCYPACJX-YLJYHZDGSA-N 354.402 4.072 0 1 FIAF CC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587604561 WUXUAOHLYDVSKH-SIKLNZKXSA-N 360.365 4.298 0 1 FIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(OC(F)(F)F)c2c1 587648967 FJSGSHVUBZNJGP-UHFFFAOYSA-N 355.337 4.137 0 1 FIAF CSC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587703104 FRYVBXCFXQCNMD-JVXZTZIISA-N 372.225 4.243 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2F)N1 587725215 CFZYLZDXVJUXGA-ZKANADHPSA-N 356.185 4.490 0 1 FIAF COc1cccc(OCc2ccc(-c3nc4nc(OC)ccc4[nH]3)cc2)c1 587782614 VMVBGFXWJHKRQU-UHFFFAOYSA-N 361.401 4.221 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3[nH]ncc3c2)N1 587794336 MKUQDIXVONGOKL-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3[nH]ccc23)N1 587803862 QAVIULXPUCMKCC-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF COc1ccc([C@H](c2ccccc2)c2nc3c(Cl)ncnc3[nH]2)cc1 587931740 DDWNKDGRKOEUGY-HNNXBMFYSA-N 350.809 4.195 0 1 FIAF Fc1cccc([C@]2([C@H]3CCNC3)NCCc3cccc(-c4ccccc4)c32)c1 962666279 JLNOLGKITURWCL-SQJMNOBHSA-N 372.487 4.492 0 1 FIAF COc1cc([C@@H]2c3cc4c(cc3C[C@H](C)[C@@H]2C)OCO4)ccc1OC(C)=O 2356425599 OZGAPJXJJASVMN-UTWWPYJBSA-N 368.429 4.309 0 1 FIAF CC[C@@]1(C)Cc2nc3nc(=S)n(-c4ccccc4C)c(O)c3cc2CO1 5575513 FRGXMPGJGZFAFB-FQEVSTJZSA-N 367.474 4.405 0 3 FIAF CCOC(=O)C1=C(C)[C@@H](c2cccc(Oc3ccccc3)c2)NC(S)=N1 8855137 DCPJOTJWFRACTE-KRWDZBQOSA-N 368.458 4.246 0 3 FIAF CSc1cccc(NC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)c1 8599628 GBGNEAPXYTYZSY-UHFFFAOYSA-N 366.490 4.140 0 1 FIAF CCc1c(Br)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12 13680017 LFKSKAPPUVZKJX-UHFFFAOYSA-N 350.237 4.287 0 1 FIAF O=C(O)Cc1nc(-c2ccc(Br)cc2)oc1-c1ccccc1 27075825 ZNRPUUJJKLHEHV-UHFFFAOYSA-N 358.191 4.398 0 1 FIAF C[N+]1=C(C(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc2CC1 27556643 MAASHCMPTRBUFK-UHFFFAOYSA-N 356.445 4.136 0 1 FIAF Cc1c(O)c2ccccc2c2c1sc(NC1CCCCC1)[n+]2CCO 27721436 CKAMZWSFIAOQTB-UHFFFAOYSA-O 357.499 4.093 0 1 FIAF C[C@]12CCC(=O)C=C1[C@H](Br)C[C@@H]1[C@@H]3CCC(=O)[C@@H]3CC[C@@H]12 27874452 DBVWYQFZUUZZQG-KJSPGLNBSA-N 351.284 4.071 0 1 FIAF C[C@@H](c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12 28825761 LATGPIQQXVEMKX-KRWDZBQOSA-N 371.484 4.412 0 1 FIAF CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O 45319046 AOQNUAUZFQJNHU-CQSZACIVSA-N 362.861 4.022 0 1 FIAF CN(Cc1ncc2ccccc2c1CCCN)[C@H]1CCCc2cccnc21 49089471 UHUJJNZHSVYANG-QFIPXVFZSA-N 360.505 4.031 0 1 FIAF CCOc1ccc(-c2cc(NCc3ccc(OC)c(OC)c3)ncn2)cc1 82167503 JCPVSRDSNKNAGP-UHFFFAOYSA-N 365.433 4.172 0 1 FIAF COc1ccccc1[C@H](c1ccncc1)c1cc2c3c(c1)CCN3C(=O)CC2 95595711 URABBVHZBALPIN-HSZRJFAPSA-N 370.452 4.106 0 1 FIAF COc1ccccc1-c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 96933718 HJIPMYQQHXXUJR-UHFFFAOYSA-N 353.443 4.187 0 1 FIAF COc1ccc(OC)c([C@H]2CC(c3cccnc3)=NN2c2ccccc2)c1 103201310 MKCILWCEVVEMTD-OAQYLSRUSA-N 359.429 4.455 0 1 FIAF CC1(C)CC2=Nc3nc(S)nc(O)c3[C@@H](c3ccc(F)cc3)C2=C(O)C1 104115845 KSYBVKPYJPURCY-ZDUSSCGKSA-N 371.437 4.460 0 1 FIAF COc1ccc(-c2cc3cc(CO)cc(C(C)(C)C)c3oc2=O)cc1OC 299820253 CUXQIRGSTAWWBS-UHFFFAOYSA-N 368.429 4.267 0 1 FIAF CN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccccc12 299869946 VRLDYJVFHNAWBU-FMIVXFBMSA-N 352.869 4.427 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@H](Cc1ccccn1)[C@@H]2O 299870320 SJHBYTOZADGQDY-OZCKHHQMSA-N 363.501 4.473 0 1 FIAF in-vivo COC(=O)c1cc(Cl)c2[nH]c(-c3cn(C)cc3C(F)(F)F)nc2c1 587113643 WBKHADPHWJHYBP-UHFFFAOYSA-N 357.719 4.027 0 1 FIAF Cc1c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166259 POMZZRUSZOPXSS-LJQANCHMSA-N 363.396 4.407 0 1 FIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)c(Cl)cc3[nH]1)C2 587247592 UJJUZVAGNBJRJR-SFHVURJKSA-N 362.260 4.221 0 1 FIAF Cc1ccc(CCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1N 587250636 OHFIRRBOOBGBRM-UHFFFAOYSA-N 357.461 4.070 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4ccnc4)c(Cl)c1)[C@@H](C2)C3=O 587423078 RWEWLLWOYITSBI-XOBRGWDASA-N 366.804 4.023 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(C(F)F)c1 587556173 NTRXRHUHRHMPNG-VQIMIIECSA-N 369.323 4.428 0 1 FIAF Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc12 587585541 FPXBIRCMPOCGRZ-RXVVDRJESA-N 372.380 4.051 0 1 FIAF COC(=O)c1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587636956 QTUMUSAFMHJTDH-UHFFFAOYSA-N 374.190 4.082 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccnc(Cl)c1 587655321 BQKBCLQSEVNCMU-UHFFFAOYSA-N 369.758 4.379 0 1 FIAF Cc1cc(C)n(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587763320 JGSAZQKXSPXVGZ-BMIGLBTASA-N 366.278 4.067 0 1 FIAF CC(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812263 PTJACNFVQOBYMV-BTDLBPIBSA-N 356.279 4.343 0 1 FIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587823620 VKHKSGNXNYTCIA-BMLIUANNSA-N 350.231 4.226 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccccc32)N1 587836360 SZAKPHXDRCVRQX-ZMZPIMSZSA-N 362.242 4.149 0 1 FIAF CCC1(CC)OC[C@H]([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)O1 587838051 ABTHOQARKGUFTA-JQAFLVLXSA-N 372.278 4.095 0 1 FIAF CC(C)[C@@H]1C[C@@]2(CS1)N[C@H](C)Cc1ccc(F)c(Br)c12 587858304 PZFFRSNRPAPAIU-HICWGWBUSA-N 358.320 4.479 0 1 FIAF COc1ccc([C@@H](c2ccccc2)c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 587938359 VMYSWDOHHIQHEP-HXUWFJFHSA-N 370.412 4.334 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587952450 QWFLKZQPHIZXOX-XNJGSVPQSA-N 360.454 4.405 0 1 FIAF CN1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1 653689419 KMXDCXKUPBTALE-UHFFFAOYSA-N 363.505 4.243 0 1 FIAF CN(Cc1ccccc1)Cc1nnc(-c2cc3c(cn2)[nH]c2ccccc23)o1 1857635204 YIBUBOBTEHDSNB-UHFFFAOYSA-N 369.428 4.398 0 1 FIAF CC(C)=CCCC(=CCC[C@H](CCCC(C)=CCO)C(=O)O)C(=O)O 2356766272 UAVZQXWDYAGFFJ-SFHVURJKSA-N 352.471 4.334 0 1 FIAF O=C(NCc1cccnc1)c1ccccc1Nc1ccnc(C(F)(F)F)c1 28392791 SOSGWVASQJPCPZ-UHFFFAOYSA-N 372.350 4.169 0 1 FIAF CC(C)(C)c1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)O)c(C(C)(C)C)c1 28863956 AOYDJWQSPYRGAM-XWTMOSNGSA-N 373.493 4.098 0 1 FIAF CCOc1ccc(N/C=C(\C(=O)Nc2ccccc2)c2cc(C)no2)cc1 29043693 FVRUVTWIWLDBRH-RGEXLXHISA-N 363.417 4.473 0 1 FIAF O=C(c1cnccn1)N1CCC[C@@H]1c1ccc(-c2cccc(Cl)c2)nc1 72176709 VUTGVPBYFVEYNJ-LJQANCHMSA-N 364.836 4.169 0 1 FIAF COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)c(C)c3)c2=O)cc1 95561497 HAVJEZUOCPSIJI-UHFFFAOYSA-N 356.809 4.304 0 1 FIAF C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC/C=C(\C)[C@H](C)O 95921377 OFCDDOBCQZHXDK-KCURMNHOSA-N 352.858 4.468 0 1 FIAF in-vitro Fc1cccc(F)c1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1 100085750 UETLUCBWJPUFQM-QAQDUYKDSA-N 357.448 4.208 0 1 FIAF CC1(C)C[C@@H]2C[C@](C)(CN2C(=S)NC(=O)c2ccccc2Cl)C1 100563126 IDBVHKHAPKHXJD-XIKOKIGWSA-N 350.915 4.255 0 1 FIAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1OCc1ccccc1)C2 100809079 ZDOCWAAGOYBNMX-RTBURBONSA-N 365.477 4.012 0 1 FIAF COc1nn(Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(=O)o1 103287203 HEJHUWLBVJPWPZ-UHFFFAOYSA-N 373.412 4.363 0 1 FIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@@H]2C)OCO4)c1 105518611 NRMLCSNFBPYZRW-KHIBUBOWSA-N 367.445 4.006 0 1 FIAF Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F 149541225 YODCDZCSGNUYOR-UHFFFAOYSA-N 351.337 4.126 0 1 FIAF CC(=O)c1ccc(OCCCCOc2ccc(C(=O)O)cc2C)c(C)c1O 169351434 OXGMPDOPABHVNE-UHFFFAOYSA-N 372.417 4.148 0 1 FIAF Cc1ccc2c(ccc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c32)n1 587041741 PBVLEGIRYPDZDR-RBUKOAKNSA-N 360.486 4.366 0 1 FIAF CCCc1nc(-c2nc3c(C)c(F)ccc3[nH]2)nn1-c1ccccc1F 587155855 INHTVEUMTQAISZ-UHFFFAOYSA-N 353.376 4.350 0 1 FIAF Fc1ccc2c(c1)C[C@H](c1nc3ccc(F)c(Br)c3[nH]1)O2 587175543 ZPHGGXIVMONPRJ-GFCCVEGCSA-N 351.150 4.280 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H]1CCCCN1)CC2=O 587483770 LMBWUYSDKXIBBA-GGAORHGYSA-N 365.473 4.348 0 1 FIAF CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1 587500357 OETNIKXBMULKTM-KRWDZBQOSA-N 356.853 4.386 0 1 FIAF C[C@]1(c2cn(Cc3ccccc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 587517543 PLPGGGPYPYVNGD-HSZRJFAPSA-N 373.456 4.086 0 1 FIAF Cc1ccc2c(c1)[C@]1(C=CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606453 CQBPEEGJQAAABB-REWPJTCUSA-N 372.376 4.464 0 1 FIAF CC1(c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)CC1 587622436 NBBVXKICQZTFMW-UHFFFAOYSA-N 368.181 4.306 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnccc2Cl)N1 587696665 LSZYDQZUEQEBIB-AYVTZFPOSA-N 355.638 4.260 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3cccnc3c2)N1 587779635 VBYXYFPFQNLZIC-MLCYQJTMSA-N 372.241 4.155 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)C(=O)C2)N1 587824410 WAZXTOKNNVXNNT-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF COc1cc2c(cc1OC)[C@@]1(CCCc3cc(C)ccc31)N(C)[C@@H](C)C2 962620996 ATRDUYSQXVSXNV-HJPURHCSSA-N 351.490 4.469 0 1 FIAF O=C(O)c1ccc(-c2ccc([C@@H]3NCCc4ccc(O)cc43)cc2)cc1F 963354421 XNPOISWUBWDMLS-NRFANRHFSA-N 363.388 4.132 0 1 FIAF C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccccc1 1772614508 IHJPYWIDHOPLCK-GFCCVEGCSA-N 357.360 4.169 0 1 FIAF CCOC(=O)[C@@H](C)N(C(=O)c1cccs1)c1c(C)cccc1Cl 1857534714 XYAGVCFCNDDPMS-GFCCVEGCSA-N 351.855 4.308 0 1 FIAF CCCCCC=CCC=CCC=CCCCCC(=O)OC(CO)CO 2356412798 BXAXVVVVPFELOK-UHFFFAOYSA-N 352.515 4.472 0 1 FIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@H](C)[C@H](C)[C@@H]3O 5807482 YPUTYHJWWMYIGF-IUUKEHGRSA-N 372.461 4.300 0 1 FIAF biogenic C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Cc1ccccn1)[C@@H]2O 13681731 SJHBYTOZADGQDY-ASAWXQNGSA-N 363.501 4.473 0 1 FIAF in-vivo COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CC[C@H](O)C3)cc1 27709594 CFWCZPFWDBOUHF-INIZCTEOSA-N 354.837 4.051 0 1 FIAF COc1ccc([C@H](c2ccc(OCCN(C)C)cc2)c2cccnc2)cc1 28709307 DMKHBWQONCVLOI-HSZRJFAPSA-N 362.473 4.211 0 1 FIAF COc1ccccc1[C@H]1CN=C(c2ccc(OC(F)(F)F)c(Cl)c2)N1 28948589 HBZSFLJFXKNCOR-CYBMUJFWSA-N 370.758 4.338 0 1 FIAF N[C@@H]1CCN(Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)C1 45186917 CWZASJHTLJTWJB-QGZVFWFLSA-N 374.513 4.491 0 1 FIAF CC(C)(C)c1ccc(-c2noc(CCC(=O)NCc3ccccc3)n2)cc1 70463022 VYPULFVHJVUSJD-UHFFFAOYSA-N 363.461 4.283 0 1 FIAF Cc1ccccc1-c1nc(CCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)c(C)o1 101463848 ZRIUBGGKVAZEKR-OQIWPSSASA-N 373.449 4.135 0 1 FIAF CCC[C@@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 102100273 CWLFBVVMPWYBAR-WJXFIBLPSA-N 367.533 4.369 0 1 FIAF CC(C)[C@H]1CCC2=C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(CO)(CO)CO)C1 103274468 IRVNVNCXKHMXAF-UPZYVNNASA-N 364.570 4.309 0 1 FIAF Cc1cnc2[nH]cc(Cc3ccc(NCc4cccnc4F)nc3F)c2c1 117438083 ZPELTGPUSIGURF-UHFFFAOYSA-N 365.387 4.142 0 1 FIAF Cc1ccc(CN2[C@@H](C)[C@@H](C)Oc3c(Cl)cccc3S2(=O)=O)cc1 169355536 WHHGFCBGSLWNHA-UONOGXRCSA-N 365.882 4.009 0 1 FIAF O[C@@H](CN1CCCCC1)[C@H]1Oc2ccccc2[C@@H]1CCc1ccccc1 169362320 WXYWDEZLAOBARR-FUDKSRODSA-N 351.490 4.011 0 1 FIAF Cc1ncc(CO)c2c(Nc3ccccn3)c(NC[Si](C)(C)C)oc12 170168243 HNYSVRGKQXKWOY-UHFFFAOYSA-N 356.502 4.056 0 1 FIAF O=C(NCCCc1ccccc1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 299828040 GQEVRCHACSDYLE-TYKWCNGQSA-N 370.468 4.448 0 1 FIAF C[C@H](Sc1ncccn1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586963508 KZGUYVLAFVLMIJ-NSHDSACASA-N 362.462 4.038 0 1 FIAF O=C(CCCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(Cl)cn1 587082314 OEEFWMYUTPBNRE-UHFFFAOYSA-N 368.746 4.231 0 1 FIAF COC(=O)c1ccnc2[nH]c(-c3ccccc3Nc3ccccc3OC)nc12 587240158 GHOIRMHFYCGLKY-UHFFFAOYSA-N 374.400 4.164 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 587392813 DLYDXQKYVKNOGA-GPVSGQMNSA-N 364.489 4.069 0 1 FIAF COc1cc2c3c(c1)OC1(CCC(OCc4ccccc4)CC1)[C@@H](C2)C3=O 587444917 XEADPFUIXIRAHP-YZOUICBYSA-N 364.441 4.341 0 1 FIAF CC(=O)N(C)c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587514914 XNLLQHKEHCGZMK-HSZRJFAPSA-N 363.457 4.429 0 1 FIAF COc1ccccc1-n1nccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516245 BELNUSRUSUCKCL-JOCHJYFZSA-N 374.440 4.466 0 1 FIAF CCC(C)(C)c1ccc(OCc2nc3ccc(C(=O)OC)nc3[nH]2)cc1 587565547 LVTSCQUBNDVVIU-UHFFFAOYSA-N 353.422 4.011 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(Cl)ccn1 587656703 JKONSBROTVWSFV-UHFFFAOYSA-N 351.768 4.240 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccnc2F)N1 587738015 JGIGIMROXLYUSC-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF Cc1cc(F)ncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587739035 SJTAASSMTPBKNI-FVMDXXJSSA-N 353.210 4.054 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCCC[C@H]2C)N1 587761078 OFGZEOZEPIYGJK-VFVRVIDISA-N 369.322 4.212 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(C2CC2)N1 587769525 GOIWDCVBNUDNOR-BBATYDOGSA-N 361.258 4.171 0 1 FIAF CC(C)CC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814861 WIYVUNNXYJWQFX-PIGZYNQJSA-N 356.279 4.343 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]2[C@@H]5C[C@H]41 587827365 KVAWFNORIYSZCN-DLDXACKXSA-N 374.297 4.096 0 1 FIAF COc1cc2c(cc1OC)[C@@](C)(c1ccc(Cl)cc1N)N(C)[C@H](C)C2 962628618 PUTMYPGXHOQLTK-MPBGBICISA-N 360.885 4.079 0 1 FIAF COCC[C@]1(c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962717851 RBTQLNCRNJRBRL-AVRDEDQJSA-N 371.521 4.469 0 1 FIAF COC(=O)c1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c(C)c1 963115285 ZYTCCUZEECRVBU-QGZVFWFLSA-N 350.245 4.324 0 1 FIAF CCc1n[nH]cc1Cn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1 1772582399 IZRNPSABLKZTLN-UHFFFAOYSA-N 352.772 4.139 0 1 FIAF CCOC(=O)c1[nH]c(Cl)c(-c2ccc(OC)c(OC)c2OC)c1Cl 1772592533 KTDZLRWPFVBYPT-UHFFFAOYSA-N 374.220 4.191 0 1 FIAF COc1cccc2cc3c(cc12)C(=O)N(Cc1ccc(Cl)cc1)C3=O 1857614688 HNOPBEHBIOGOJN-UHFFFAOYSA-N 351.789 4.298 0 1 FIAF Cc1nc2c(cc1Cn1cc(-c3ccccn3)nn1)CCCc1ccccc1-2 1857762380 LHOIUVPWYNKHPW-UHFFFAOYSA-N 367.456 4.248 0 1 FIAF COc1ccc([C@@](C)(O)c2nc(-c3ccc(O)cc3)nc3ccccc23)cc1 1911576550 YXIJMMADJQJZEB-HSZRJFAPSA-N 372.424 4.267 0 1 FIAF CC(=O)[C@@H]1[C@@H](N(C)C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356580066 KIIFJDKQTHOFGN-PVRUNILOSA-N 359.554 4.055 0 1 FIAF Clc1ccc(-c2cnc([C@H]3COCCN3Cc3ccccc3)[nH]2)s1 2356690125 NHKRQJHWNNWPKD-OAHLLOKOSA-N 359.882 4.365 0 1 FIAF CC=C(C)[C@H](O)[C@H](C)C=C(C)C=CC=CC=CC=C(C)C(=O)N[C@H](C)CO 2356698881 SJFXXCHPVOUCOT-VSKRKVRLSA-N 373.537 4.008 0 1 FIAF Cc1ccc(-c2c(CNC(C)(C)C)c(C(=O)O)nn2-c2ccccc2)cc1 2382232169 MEGCNPWISHFKOS-UHFFFAOYSA-N 363.461 4.434 0 1 FIAF C[C@@H](C(=O)O)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 8829571 ONHBACUWLNRRHA-JHGBEIFQSA-N 367.445 4.401 0 3 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C(=O)c5oncc5C[C@]4(C)[C@@H]3CC[C@]12C 5882699 SKAUQTZOMFSDQC-NRTKJZQQSA-N 371.477 4.204 0 1 FIAF S=C(Nc1ccccc1)N1CCC(c2cccc(Br)c2)=N1 13474239 CBCHUTFCBMPIFB-UHFFFAOYSA-N 360.280 4.256 0 1 FIAF O=C1CS[C@@H](C(=O)Nc2ccc(Cl)cc2)c2cc3c(cc21)CCC3 13556709 LNZCVSGFDVEFCQ-GOSISDBHSA-N 357.862 4.438 0 1 FIAF Cc1cc(-c2ccc(F)cc2)c(/C=C/[C@H]2C[C@@H](O)CC(=O)O2)c(C(C)C)n1 27656615 ROSRAJDGGIMAJE-NUQYTELCSA-N 369.436 4.399 0 1 FIAF O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 28394173 ROKAKGMAWJNFEN-UHFFFAOYSA-N 360.860 4.264 0 1 FIAF in-vitro CCNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(CC1CC1)CC3 28709212 RVWFZRGYOXCUSN-NWSQWKLXSA-N 368.521 4.263 0 1 FIAF CCCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@H](C)CC3=O 29132931 PTJFQWDFNUUMQR-NWDGAFQWSA-N 354.402 4.283 0 1 FIAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@H]1[C@H](C)[C@@H](C)C(=O)C3 29221889 TXKQIJMFIKPRKR-VNJNALDLSA-N 367.533 4.225 0 1 FIAF CO[C@H]1Cc2ccccc2[C@]2(CCCN(CCCc3ccccc3)C2)O1 45289703 ZQQMWLKKSVHRHG-DHIUTWEWSA-N 351.490 4.156 0 1 FIAF Oc1cccc(-c2nc(C3CCOCC3)c3cnn(-c4ccccc4)c3n2)c1 45339619 FWNNYNPGUOAOCU-UHFFFAOYSA-N 372.428 4.082 0 1 FIAF CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1 49068241 HQTDBFXCCUUCFU-UHFFFAOYSA-N 374.448 4.207 0 1 FIAF COc1ccc([C@@H]2[C@H](C)C(=S)N2c2cc(OC)c(OC)c(OC)c2)cc1 66259804 NAPVLQUURFIQJL-SGTLLEGYSA-N 373.474 4.246 0 1 FIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82197876 FIXKIOTZHQQCSW-KRWDZBQOSA-N 361.486 4.224 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2)n1 82214724 MVJAVIVNGMSDCN-YESZJQIVSA-N 366.509 4.472 0 1 FIAF Cc1cc(NC(=S)NC(=O)c2c(F)cccc2F)c(C(C)C)cc1O 84704015 TYMYSNWJYHUCCO-UHFFFAOYSA-N 364.417 4.229 0 1 FIAF CC(=N)N1CCC(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1 96285771 BPAAARXDGIBYJG-UHFFFAOYSA-N 369.440 4.052 0 1 FIAF Oc1nc(CN2CCCC2)nc2cc(-c3c[nH]c4ccccc34)sc12 96909537 QDGJBMGYYWONTM-UHFFFAOYSA-N 350.447 4.141 0 1 FIAF Oc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140135310 YNMMFLGPECUAQX-UHFFFAOYSA-N 354.413 4.001 0 1 FIAF Cc1ccoc1-c1c2c(nn1C)CCc1cnc(Nc3ccccc3)nc1-2 169702207 KEBIVPIMXYIGHR-UHFFFAOYSA-N 357.417 4.288 0 1 FIAF O=C(NC[C@H]1CCN2CCC[C@H]1C2)c1ccccc1-c1cccc(Cl)c1 261150023 OQWMGAPGZMIOTJ-MSOLQXFVSA-N 368.908 4.469 0 1 FIAF OCC12CCC(c3nc4cc(Br)c(F)c(F)c4[nH]3)(CC1)CC2 586895274 CWGQJCGKZOIKGH-UHFFFAOYSA-N 371.225 4.188 0 1 FIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587094204 MQLIPNVRNHTZKV-LURJTMIESA-N 371.306 4.304 0 1 FIAF O=C(COc1ccccc1-c1nc2ccccc2[nH]1)Nc1ccccc1F 587154136 JYVJSQAAJIFXHK-UHFFFAOYSA-N 361.376 4.387 0 1 FIAF COC(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1OC 587174863 MYFQSJMWOIVRBW-UHFFFAOYSA-N 373.771 4.299 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)O2 587397482 AXMCCOWHLRGOJU-JORQVXCQSA-N 374.481 4.089 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)N(C)C)CC2=O 587469244 LQPMAYUGXBSTBH-OYHNWAKOSA-N 353.462 4.156 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(C(=O)OC)c1)CC2=O 587480213 NZLSYLAOZZHDAG-IBGZPJMESA-N 354.402 4.146 0 1 FIAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587566803 BDVHEWWXOCEFJX-DYESRHJHSA-N 366.344 4.243 0 1 FIAF CCC1(CC)[C@H](OC)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601077 QKWHVFKVAPJNCD-KGVIQGDOSA-N 368.429 4.318 0 1 FIAF COc1cccc(F)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587718078 HPRKQBLWJMCZAI-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587723565 BIJABCDXQPNJKK-XYZCENFISA-N 368.221 4.360 0 1 FIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 587785941 PVFXGNUDADEKLJ-QWRGUYRKSA-N 362.216 4.208 0 1 FIAF CC(C)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 587792558 IYELSSSMZXFBGU-XXFAHNHDSA-N 353.235 4.323 0 1 FIAF CCCC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815565 NTWBSSOPQVAJQS-ADLMAVQZSA-N 368.290 4.487 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccco2)N1 587825516 AJFYXZLITKZOJD-BMLIUANNSA-N 366.230 4.204 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccccc1C 587870773 REETZHOPDCFQIZ-UHFFFAOYSA-N 353.397 4.149 0 1 FIAF Cc1ccc(C)c(Cc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 587923766 MSGYUYJOAVGFJL-UHFFFAOYSA-N 372.515 4.389 0 1 FIAF COc1cccc(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587931063 LHWRFERSJKTUDT-UHFFFAOYSA-N 371.309 4.406 0 1 FIAF Cc1ccnc2c1CCN[C@@H]2c1c[nH]c2cc(F)c(Br)cc12 963070605 OTKSTXMLAGKSBE-QGZVFWFLSA-N 360.230 4.008 0 1 FIAF O[C@H](CNc1ccc(F)cc1)COc1cccc2[nH]c3ccccc3c12 1251082792 OZETUOOMRPHYDS-MRXNPFEDSA-N 350.393 4.312 0 1 FIAF Nc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1C(=O)O 1772612418 AKAROMSVTGDAMP-UHFFFAOYSA-N 374.322 4.186 0 1 FIAF COc1cc2c(cc1C(=O)O)CC[C@H]1C(C)(C)c3oc(C)nc3C[C@]21C 1772628323 BGVPFEKXQLISRY-LAUBAEHRSA-N 355.434 4.044 0 1 FIAF CC[C@@H]1CN2CC[C@H]1C[C@H]2COC(=O)Nc1ccc(OC(F)(F)F)cc1 2356859521 SVRGWQGFCDGQMR-IPYPFGDCSA-N 372.387 4.254 0 1 FIAF CC[P@@](=O)(OC)c1ccc2oc(-c3cccnc3C(F)(F)F)nc2c1 2382246462 KBIIESRQDBPGLI-RUZDIDTESA-N 370.267 4.478 0 1 FIAF COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)cc1F 11820645 OZMLRMFKXMVRDF-GOSISDBHSA-N 356.441 4.168 0 3 FIAF COC(=O)c1cccc(C)c1[C@H]1CN=N[C@@]12Cc1c(ccc(C)c1C)C2=O 5539644 GXSBZKKCZNVIIN-GCJKJVERSA-N 362.429 4.126 0 1 FIAF COc1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 13580910 RAWVHPLWRBUZQW-UHFFFAOYSA-N 353.426 4.064 0 1 FIAF CCCCN(CC)c1nc(C)nc2c1NCCN2c1ccc(OC)cc1C 14975051 HEEPFVNZZABBFA-UHFFFAOYSA-N 369.513 4.292 0 1 FIAF C[C@@H](Cc1cc2cc(C(=N)N)ccc2o1)c1cc2cc(C(=N)N)ccc2o1 27889139 DOAHKSNQBVGBLZ-NSHDSACASA-N 360.417 4.093 0 1 FIAF CN(CCCc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccc1 40404464 MDNLTAZSVNZLIV-QFIPXVFZSA-N 362.473 4.426 0 1 FIAF O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2Cl)CC1 40409116 LPDDAOYGFMPGEW-UHFFFAOYSA-N 356.853 4.160 0 1 FIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(CCN=N1)C3=O 45384253 YOFJJYUGTDOFHI-VDKBLPMTSA-N 372.509 4.346 0 1 FIAF CC(C)CCN1Cc2cc(/C=C/CCO)ccc2N[C@@H](CC(C)C)C1=O 95581264 DYTFJIJULYDCOX-XYASWCNUSA-N 358.526 4.297 0 1 FIAF O=CN1[C@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100800521 CQSPEDPZNBMSKV-OALUTQOASA-N 357.400 4.223 0 1 FIAF CCC[C@@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 101806206 ILZGABAAVFSXBX-LUGPXAIHSA-N 353.506 4.066 0 1 FIAF CC(C)(C)C(=O)C[C@H]1c2ccccc2N=C(n2cncn2)N1c1ccccc1 103180994 QVRONIKLCZDDLD-IBGZPJMESA-N 373.460 4.381 0 1 FIAF CC[C@H](Nc1ncnc2c1CN(c1ccc(C)cn1)CC2)c1ccccc1 114995534 XVVMIRNQEFEULE-IBGZPJMESA-N 359.477 4.306 0 1 FIAF O=C1c2ccc(OCc3cccc(F)c3)nc2CCN1c1ccc(F)cc1 169331097 USAYADIEFCUQRN-UHFFFAOYSA-N 366.367 4.142 0 1 FIAF COc1ccc(C(=O)NC(C)(C)c2ncco2)nc1-c1cccc(Cl)c1 207730867 GGBNKZSCKGIUNU-UHFFFAOYSA-N 371.824 4.064 0 1 FIAF COc1ccc(-c2cnc3snc(NC(=O)C(C)(C)C)c3c2)cc1OC 299820756 ILORNXFIWUODBX-UHFFFAOYSA-N 371.462 4.360 0 1 FIAF C[C@@H](NCCC(=O)c1ccc(Cl)cc1Cl)[C@@H](O)c1ccccc1 473136395 QTMQLHGHMRQVIE-KZULUSFZSA-N 352.261 4.278 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1 586891137 SUWNYVQWEZTWFV-GTNSWQLSSA-N 358.825 4.148 0 1 FIAF O=C1c2ccccc2-c2cc(-c3cnc(Cl)cn3)nc3ccc(O)c1c23 586987256 UYIWXIGNSGFHKU-UHFFFAOYSA-N 359.772 4.262 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 587007881 ULWKIDJLWMRGLC-UHFFFAOYSA-N 362.618 4.226 0 1 FIAF Cc1c(F)ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 587019869 RELIWMOVJQCZEB-UHFFFAOYSA-N 372.450 4.372 0 1 FIAF Cc1nn(-c2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)c(C)c1Cl 587065715 WDWDQCHWKVANFW-UHFFFAOYSA-N 366.852 4.221 0 1 FIAF COc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Cl 587178205 VDNGHFJPSQHKLV-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF COC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3cccc4c3c(c2C1)CC4 587212431 JJTVFADNVLYUNJ-QHCPKHFHSA-N 361.416 4.072 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Cl)ncc2[nH]1)C1CCCC1 587224121 DTNMACWHZTXOSE-CQSZACIVSA-N 350.850 4.367 0 1 FIAF NC(=O)Nc1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 587243054 CJVHJBVANUEEGS-UHFFFAOYSA-N 354.719 4.393 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(=O)O)[nH]c3ccc(Cl)cc13)O2 587378870 FCNCVFKWAVEBPU-HNNXBMFYSA-N 370.792 4.117 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(C)cc(C)c4nc1O)[C@@H](C2)C3=O 587435195 CJCOYBUDXPBTBS-YCRPNKLZSA-N 361.397 4.055 0 1 FIAF O=C1C[C@](c2ccc(F)cc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587510782 WLHOCRZEEOQHRY-QFIPXVFZSA-N 362.404 4.337 0 1 FIAF Cc1[nH]c(C(=O)O)c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523140 GOTMHEAYDLSFHR-NRFANRHFSA-N 353.418 4.089 0 1 FIAF Cc1nn(C(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580699 IYCMTQOOLBQKEL-NQIIRXRSSA-N 364.401 4.181 0 1 FIAF CCOCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587617021 OCOVPNSZZYWUKL-GHTZIAJQSA-N 366.369 4.225 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccn2)N1 587700118 LTBFUYGNZNUEEE-FVMDXXJSSA-N 369.665 4.434 0 1 FIAF COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587730149 WVRZYWRQLXNDKG-XYZCENFISA-N 368.221 4.360 0 1 FIAF CCC[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587818944 SYEHSCQYRZUSMZ-FMTVUPSXSA-N 368.290 4.487 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)N1 587826712 IPKAWKLLMZXUDW-LTJZEDJMSA-N 350.275 4.384 0 1 FIAF Cc1ccc(-c2cc(O)n([C@H](COc3cc(F)cc(F)c3)N=O)c2O)cc1 587944887 JTMCKBKNBZRUQF-QGZVFWFLSA-N 374.343 4.497 0 1 FIAF C[C@@H](N=c1nc[nH]c2sc(-c3ccc(C(N)=O)cc3)cc12)c1ccccc1 653698608 JGNXXXKYBVWYEJ-CYBMUJFWSA-N 374.469 4.052 0 1 FIAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4cnc5ccccn45)cc32)[nH]1 653754926 STCDEVYUOWPUKT-BOPFTXTBSA-N 354.413 4.439 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1[nH]c3nccc-3cc1Cl)N(C)[C@@H](C)C2 962567766 JXDHJAIXSIDDSK-JEOXALJRSA-N 371.868 4.151 0 1 FIAF O=C1CC2(CC2)C[C@@]2(C1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962626354 GVFJYYPEFFUWEM-BWKNWUBXSA-N 372.512 4.162 0 1 FIAF Clc1cc(Cl)c2c(c1)[C@@H](c1cnc(-c3cnccn3)s1)NCC2 963102668 DQICUJZFBMPEKM-HNNXBMFYSA-N 363.273 4.142 0 1 FIAF Cc1ccc2nc(N3CCOCC3)c(-c3noc(-c4ccccc4)n3)cc2c1 1772594017 BFULLKNJJYRDEU-UHFFFAOYSA-N 372.428 4.097 0 1 FIAF CCOc1ccc(Oc2ccc(-c3noc([C@@H](C)NC(C)=O)n3)cc2)cc1 1772607248 YSFYOQBZOGUUIX-CYBMUJFWSA-N 367.405 4.125 0 1 FIAF CCOc1ccc2c(c1)nc(C(O)(c1ccccc1)c1ccccc1)n2C 1857578311 MWMSHUQTYMBYTB-UHFFFAOYSA-N 358.441 4.256 0 1 FIAF CC(C)(C)c1ccc(CS(=O)(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 1857772110 KCPBGLXZGVQJLO-OUKQBFOZSA-N 358.459 4.268 0 1 FIAF CCCC(=O)NC(Nc1ccccc1Cl)(C(F)(F)F)C(F)(F)F 5950935 WFXAYMUCNDIQIH-UHFFFAOYSA-N 362.701 4.489 0 3 FIAF COc1ccc2cc3c(N)nn(C(=O)c4ccc(C(C)(C)C)cc4)c3nc2c1 4564030 FDZQGSMKWVFQGH-UHFFFAOYSA-N 374.444 4.161 0 1 FIAF C[C@H](OC(=O)c1ccccc1)c1cccc2nc3c(C(=O)O)cccc3nc12 14451327 DLOHWETTWQPEJA-ZDUSSCGKSA-N 372.380 4.399 0 1 FIAF biogenic CCC[C@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@H](C)O3 29133797 PGLJHEPEFVKHBP-AAEUAGOBSA-N 354.402 4.283 0 1 FIAF CCCC(C)(C)[C@H](O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCO 35000834 JNARRKHWUSWJGJ-HGCXXSQWSA-N 368.558 4.019 0 1 FIAF Cc1ccc(N2CCc3ncnc(NCc4cccc(Cl)c4)c3C2)nc1 35077850 ZFFRYTRFMCOESZ-UHFFFAOYSA-N 365.868 4.008 0 1 FIAF O=C(Nc1cnc2ccccc2c1)c1cc(Cl)cnc1Br 64513361 FUWZLXKTNAWQOY-UHFFFAOYSA-N 362.614 4.298 0 1 FIAF CCOc1ccc(-c2cc(NCCCN(C)c3ccccc3)ncn2)cc1 82167501 KCLQIJOSDDJDKL-UHFFFAOYSA-N 362.477 4.481 0 1 FIAF CCNC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 95559937 YQROPEFKPYTAAN-HXUWFJFHSA-N 362.477 4.378 0 1 FIAF c1cc[n+]2c(c1)[C@@H]1c3c(ccc4c3OC4)[C@@H]2CC1(c1ccoc1)c1ccoc1 100722061 XTXWJAYXBFETRL-RBBKRZOGSA-N 368.412 4.477 0 1 FIAF O=C(c1ccc(CSc2nc3cc[nH]cc-3n2)cc1)N1CCCCCC1 101480375 PMEKEGOMUVXZOJ-UHFFFAOYSA-N 366.490 4.218 0 1 FIAF CC(=O)N[C@H](C)C(=O)S[C@@H](C)Cc1ccc2oc3ccccc3c2c1 103186456 DTYWJLNEGCUSTN-QWHCGFSZSA-N 355.459 4.301 0 1 FIAF Cc1nn(-c2ccccc2)c2c1c(-c1ccc(Cl)cc1)nc1nncn12 103201292 PNZMOAOIRSBBAF-UHFFFAOYSA-N 360.808 4.092 0 1 FIAF CCC(=O)N(c1ccccc1)[C@H]1CCCN(C[C@@H](O)c2ccccc2)CC1 169308202 JJHMPFZIQGVLEV-FCHUYYIVSA-N 366.505 4.018 0 1 FIAF Fc1ccc(Cn2cc(CCCOc3cccc4cccnc34)nn2)cc1 299824227 AFEVXJHVABDHPE-UHFFFAOYSA-N 362.408 4.025 0 1 FIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN(C)Cc4ccccc4)[C@@H]3C=C12 504187709 XXGSVFUSBZGYSU-QQURRQIPSA-N 351.490 4.353 0 1 FIAF biogenic CCc1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 587019779 WFVLIYMIAIHSKO-UHFFFAOYSA-N 368.487 4.486 0 1 FIAF OCCc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587111337 FBZCMMJTWQDDCF-UHFFFAOYSA-N 357.335 4.332 0 1 FIAF CC(C)Oc1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587154675 GAWVFBBBDOTGBZ-FQEVSTJZSA-N 353.397 4.280 0 1 FIAF O=C1c2ccccc2N/C(=C/Cl)N1Cc1cc2c3c(cccc3n1)CC2 587209453 PUKDWAPHQNQPFP-ODLFYWEKSA-N 361.832 4.439 0 1 FIAF NCc1cccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587245575 AZMREKVOKGKWHX-UHFFFAOYSA-N 370.172 4.470 0 1 FIAF CC(C)Oc1cc2nc(-c3c(N)cccc3O)[nH]c2cc1Br 587250857 TVUCMCJXSXPENK-UHFFFAOYSA-N 362.227 4.067 0 1 FIAF CCn1nccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343685 USNVWFGCOPBYOQ-CTNGQTDRSA-N 366.392 4.022 0 1 FIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C(N)=O)C3)c1 587362710 KRKJNIMNYUFCNF-AWEZNQCLSA-N 372.424 4.247 0 1 FIAF COc1cc2c3c(c1)O[C@](CCc1cccc(N)c1)(C(C)C)[C@@H](C2)C3=O 587432382 LBGNPQRNCWTOBC-PGRDOPGGSA-N 351.446 4.052 0 1 FIAF CCc1ccc(-c2n[nH]cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587438739 HNOKKCRSNMGCJM-ZHRRBRCNSA-N 360.413 4.136 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3ccnc3)cc1)CC2=O 587470193 JDUXETWEEXRUAO-NRFANRHFSA-N 362.429 4.296 0 1 FIAF O=C1C[C@H](c2cccc(Br)n2)Oc2c1ccc1c2CCCC1 587499038 QLUHQXLELHUEGK-MRXNPFEDSA-N 358.235 4.429 0 1 FIAF Cc1cc(C)cc(-n2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)c1 587515079 JCZGXSYJWXYJAX-JOCHJYFZSA-N 373.456 4.469 0 1 FIAF O=C1C[C@@](Cc2ccncn2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587522263 DIZASIGYKWLHMP-DEOSSOPVSA-N 370.452 4.459 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(F)cccc12 587571629 QYKBSBCMEQIODT-UGKGYDQZSA-N 362.356 4.335 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2N)N1 587693833 FTKHWNHVEWCSRH-VPTHRUTESA-N 369.665 4.447 0 1 FIAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 587771527 MELQYSWPWFAWGX-SGTLLEGYSA-N 363.274 4.398 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3cccnc3c2)N1 587779520 SYZYRTXVTYZBRL-YPMLDQLKSA-N 372.241 4.155 0 1 FIAF COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587805812 GFKBJFWATWENFA-BMLIUANNSA-N 350.231 4.220 0 1 FIAF CC[C@]1(CC(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587815727 PFZJXZWOBZBGTN-BMLIUANNSA-N 354.263 4.097 0 1 FIAF Cc1csc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587850934 GQMKLUAAQPUNKT-ANRSDYALSA-N 355.276 4.151 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccccc1 587868722 QEEHIFOGRYPKRF-UHFFFAOYSA-N 362.311 4.053 0 1 FIAF NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)cnc2N)cc1 1857610068 REDKYXCTJWQMHW-UHFFFAOYSA-N 357.335 4.116 0 1 FIAF CC(=O)O[C@@H]1[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2Cc3occc3[C@H](C)[C@@H]12 2356338349 UZCILNJWHPOAGV-SOZVYAMKSA-N 360.494 4.310 0 1 FIAF Cc1cc(N2C(=O)c3ccccc3C2=O)c(C)cc1NC(=O)c1occc1C 2382261013 YKWJRPULGJFKTR-UHFFFAOYSA-N 374.396 4.258 0 1 FIAF CC(=O)c1cccc(NC(=O)c2cccc3c(-c4cnn(C)c4)coc23)c1 61926343 RWTOHTYZZBOZHY-UHFFFAOYSA-N 359.385 4.288 0 3 FIAF Fc1ccc(-c2cc(NCCCn3ccnc3)nc(-c3cccnc3)n2)cc1 1738889 JLKBFGAKLFDIFT-UHFFFAOYSA-N 374.423 4.043 0 1 FIAF CC(C)c1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 2472339 KUNDQOUNLAGZRM-ZWKOTPCHSA-N 351.429 4.269 0 1 FIAF CCn1c(C(=O)Nc2ccccc2C(=O)OC)cc2sc(Cl)cc21 6804713 YOQPCVOPQQCXCI-UHFFFAOYSA-N 362.838 4.415 0 1 FIAF c1ccc2cc(-c3cnnc(N4CCC[C@@H]4c4nccs4)n3)ccc2c1 12753275 ZQHNLQCPUKDTIW-GOSISDBHSA-N 359.458 4.490 0 1 FIAF CCCCC/C=C\C=C\[C@H](O)C/C=C\C/C=C\CCCC(=O)NCCO 13475537 MBNNWXNLRFIFNA-HNOKALDISA-N 363.542 4.211 0 1 FIAF Cc1ccc(/C=C2\SCCN(C(=O)c3ccc4ccccc4c3)C2=O)o1 13479504 CJHYTMXHAUMALY-UYRXBGFRSA-N 363.438 4.498 0 1 FIAF O=C(Nc1ccccc1)n1nc(-c2ccncc2)c(-c2ccc(F)cc2)n1 13489720 CAOHYVSSYXBPJT-UHFFFAOYSA-N 359.364 4.226 0 1 FIAF O=S1(=O)Nc2c(cc(Cl)c3ccc(Cl)nc23)-c2ccccc21 13815819 OMIZZMNUTMTZHK-UHFFFAOYSA-N 351.214 4.323 0 1 FIAF CCN1CCN(CC)[C@H](c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 26398704 JRZZNLZAKWRPFR-SZPZYZBQSA-N 354.494 4.144 0 1 FIAF CCCCCCC(=O)O[C@H]1C[C@@H](O)CC[C@H]1OC(=O)CCCCCC 27442092 NQNFDMXXGBYDLN-KSZLIROESA-N 356.503 4.296 0 1 FIAF COc1ccc(Cl)c(C[C@@H]2c3cc(O)c(Cl)cc3CCN2C)c1 45228785 CIZJWUMBIRRKGW-QGZVFWFLSA-N 352.261 4.479 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23CC/C(=C\C(=O)O)O3)C1(C)C 45370483 LLSQOJBRINBUMN-ATCRVXQASA-N 364.482 4.308 0 1 FIAF COC(=O)c1nc(C2CCCCC2)n(-c2ccc(C(F)(F)F)cc2)n1 72178822 LHPNTBRWNWNFHD-UHFFFAOYSA-N 353.344 4.120 0 1 FIAF COc1cccc(Nc2nnc([C@H](O)c3ccc(F)c(Cl)c3)s2)c1 82078260 RSXRAIBUNAFUOG-CQSZACIVSA-N 365.817 4.165 0 1 FIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccccc3)C[C@@H]1O2 95556340 YMTGWKCHKZWDJJ-XERREHJYSA-N 365.473 4.319 0 1 FIAF Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cc(=O)oc2ccccc12 95580580 GROHBJLESHZNGC-GFCCVEGCSA-N 357.793 4.161 0 1 FIAF Cc1nn(C)cc1-c1cnc(N)c2oc(-c3csc4cnccc34)cc12 96282216 ZFWMKNDHIGULFS-UHFFFAOYSA-N 361.430 4.396 0 1 FIAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@H]2CC[C@H]1N2C 100875731 HIFPRIPRHSYXGH-XRXFAXGQSA-N 366.505 4.130 0 1 FIAF Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N[C@@H](C(=O)O)C(C)C)(C4)C2)C3)cc1 101690257 KLXALZDCYZPMMX-KBSAKYSPSA-N 369.505 4.058 0 1 FIAF C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1C(=O)NCc1ccccc1 143473045 PULWYSDHOXHDQV-HTAPYJJXSA-N 370.452 4.261 0 1 FIAF CC[C@H](NC(=O)c1c(Cl)[nH]c2c1CCCc1ccccc1-2)[C@@H]1CCCN1 145902158 YHKJDVSRCXMZHV-IRXDYDNUSA-N 371.912 4.084 0 1 FIAF in-vivo C[C@@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@H]1c1ccccc1 169343390 IRDDNKFJTNXDHC-LKFCYVNXSA-N 365.212 4.421 0 1 FIAF C[C@@H]1C=CCc2c1c(O)n(-c1ccccc1OC(=O)c1cccs1)c2O 169691552 SZFCDVSJYDLXRL-GFCCVEGCSA-N 367.426 4.385 0 1 FIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 586886893 GYYZAQMGRVAGRZ-GZMMTYOYSA-N 370.762 4.122 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc12 587073157 DFQJKZXJKZNQRS-UHFFFAOYSA-N 373.247 4.188 0 1 FIAF O=C(O)c1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587077403 SMVPKFDVSJOMJF-INIZCTEOSA-N 355.825 4.252 0 1 FIAF COc1cc(-c2nc3ccc(SC)cc3[nH]2)nn1-c1ccccc1F 587155072 AFEUDRRFUDHHKP-UHFFFAOYSA-N 354.410 4.285 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1C[C@@H](C(=O)O)C[C@@H]31 587205709 CZPVPMSYPWTWCH-HWWQOWPSSA-N 355.393 4.197 0 1 FIAF COc1nc(C)c(-c2cc3c4c(cccc4n2)CC3)cc1Br 587208266 NOOFOEKVYXOKPR-UHFFFAOYSA-N 355.235 4.475 0 1 FIAF CNc1cccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)c1 587232755 BNLLQNCPYVGYOG-UHFFFAOYSA-N 370.412 4.270 0 1 FIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cccc(C(=O)O)c3[nH]2)c1 587242087 MPAUALGJIPRCJO-UHFFFAOYSA-N 351.406 4.303 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc(C)c1Br)O2 587382718 UFQGQKBOLGSSCQ-CQSZACIVSA-N 364.214 4.494 0 1 FIAF COc1cc2c3c(c1)O[C@H](/C(=C\N(C)C)c1cccc(Cl)c1)[C@@H](C2)C3=O 587418560 JCTRSKHHTXZHBH-UKIQDEFRSA-N 369.848 4.067 0 1 FIAF COc1ccc2c(c1)nc([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)n2C 587515329 KQASJGUWTJZDEF-FQEVSTJZSA-N 362.429 4.167 0 1 FIAF C[C@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545145 GLOCWFYSMKONDN-WFASDCNBSA-N 374.261 4.310 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(O)ccc2F)N1 587722744 ZVLFLBKODBEJNS-XLFHBGCDSA-N 368.221 4.231 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCCC[C@@H]2O)N1 587833461 NSYOGISRYVMKAO-WHCBVINPSA-N 356.279 4.033 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(C(=O)O)c1 587862965 NHZJEYCOVQYAOM-UHFFFAOYSA-N 362.307 4.265 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cccc(F)c1 587867753 DMTMQLYHLWLBQX-UHFFFAOYSA-N 351.303 4.160 0 1 FIAF COc1cccc([C@H](C)Cc2nc3c(F)cnc(Br)c3[nH]2)c1 587929646 CHANDJXSAYTOJL-SECBINFHSA-N 364.218 4.214 0 1 FIAF COc1cccc(C(=O)c2ccc(-c3nc4c(C(=O)O)cccc4[nH]3)cc2)c1 587931807 OGFLCGIPEPSJTF-UHFFFAOYSA-N 372.380 4.168 0 1 FIAF CCOc1cc(C=O)c(OCC)n1-c1cc(F)c(Br)cc1F 587943535 HAQFBGDLIHRYOK-UHFFFAOYSA-N 374.181 4.128 0 1 FIAF Nc1ccc(-c2ccc3[nH]c(C(=O)CCc4ccccc4)nc3c2)cc1N 587953228 GEDXOACFUJVDEC-UHFFFAOYSA-N 356.429 4.210 0 1 FIAF CSC1([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)CC1 962628398 ATURBCYXCIHAGX-CTNGQTDRSA-N 350.531 4.370 0 1 FIAF CCc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)o1 963199136 WCOCFKGTDXGMQI-UKRRQHHQSA-N 373.758 4.203 0 1 FIAF CN1CCc2c(Br)cccc2[C@@H]1c1cnn(C2CCCC2)c1 963281644 UFHXSESDXVJJAR-SFHVURJKSA-N 360.299 4.338 0 1 FIAF Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1c(C)ncc2nccn12 1857621366 FUPXDZFQJAIQME-UHFFFAOYSA-N 356.389 4.077 0 1 FIAF CC=CCC=CC=CC=CCCCOC(=O)C[C@@H](C)OC(=O)C[C@H](C)O 2356381739 XKXAEQCZZGRRAV-RBUKOAKNSA-N 364.482 4.037 0 1 FIAF N=c1ncc(-c2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2)c[nH]1 2382229605 JUASPPBGCHILCW-UHFFFAOYSA-N 359.216 4.115 0 1 FIAF O=C(Nc1ccnn1C1CCN(C2CCCCC2)CC1)c1ccccc1 11698583 CPBRWRIKDCJSJV-UHFFFAOYSA-N 352.482 4.105 0 3 FIAF CCCCCC(=O)c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1 22924778 XWOZMTAARRXLLU-UHFFFAOYSA-N 372.553 4.246 0 1 FIAF C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COC(c1ccccc1)c1ccccc1 28218490 JGCOVNBZGICBIO-XQBPLPMBSA-N 353.506 4.416 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3ccc(F)cc23)c(C)c1 28820785 KMZYEWRESUBAFB-HNNXBMFYSA-N 374.481 4.142 0 1 FIAF CCSc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3CCCF)cc1 45287942 LHOOAMLZVNHXAN-AITUJVMLSA-N 365.514 4.268 0 1 FIAF Cc1ccc([C@H]2CC(c3cccc(Br)c3)=NN2C(N)=S)cc1 45496815 QOYGJEHSPLDCPU-MRXNPFEDSA-N 374.307 4.152 0 1 FIAF O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1 71331268 IXTSWRCNBQFSPA-QGZVFWFLSA-N 369.371 4.382 0 1 FIAF CC(C)(CO)CCCNc1cncc(Oc2cccc3cccnc23)n1 82068517 FOCOEYCKQDNZCC-UHFFFAOYSA-N 352.438 4.028 0 1 FIAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCSc2ccccc2)[C@@H]1C 100038063 DQLTVNNYTKSQMI-MHMQGTJDSA-N 361.463 4.123 0 1 FIAF O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1 100391880 LDQTVSTXBDCFCN-ALOBAPJISA-N 374.484 4.329 0 1 FIAF CCOc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1 103254797 GHWFUSGGUFQRRC-UHFFFAOYSA-N 365.414 4.246 0 1 FIAF Cn1cc(-c2ccc3c(c2)C(C)(C)c2[nH]c4cc(C#N)ccc4c2C3=O)cn1 114801471 PWZSVTGWDRQZLJ-UHFFFAOYSA-N 366.424 4.310 0 1 FIAF OC1CCC(Nc2nn3c(-c4ccc5ccccc5c4)cnc3s2)CC1 117611164 HOPBJILJJCPHHC-UHFFFAOYSA-N 364.474 4.326 0 1 FIAF O=C1CCN([C@H]2CCCC[C@H]2OCC(c2ccccc2)c2ccccc2)C1 142323744 LDKPWNZVJCBMGW-BJKOFHAPSA-N 363.501 4.421 0 1 FIAF CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2ccc(Cl)cc21 169316363 NPHMHQYEZYUYPH-UHFFFAOYSA-N 356.761 4.439 0 1 FIAF COc1ccc(OC(=O)[C@H]2[C@@H](c3ccc(C)cc3)C[C@H]3CC[C@H]2N3C)cc1 202983439 IUPUVKOJONOTAC-CIQXWFTPSA-N 365.473 4.176 0 1 FIAF CC(=O)O[C@@H]1C=C2C(=O)OC[C@H]2[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 238765847 ZIKWEGSEZFZECM-OVNCRBCESA-N 360.494 4.280 0 1 FIAF C/C=C(\C)C(=O)O[C@H]1[C@@H](OC(C)=O)C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C 238776442 XYKLXGAMSCMNFT-YZYAIPCNSA-N 374.477 4.159 0 1 FIAF CC(C)[C@H](CO)NCc1nc([C@H]2CC[C@@H](C(F)(F)F)CC2)ccc1F 261121472 JOWFKFXTPBDYEY-AHIWAGSCSA-N 362.411 4.163 0 1 FIAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2ccc(C)o2)C[C@@H]1C 299876803 GHRDEVMKZMPGFZ-WOVYWWTOSA-N 366.417 4.468 0 1 FIAF Oc1ccc(C2(c3nc4cccc(C(F)(F)F)c4[nH]3)CCOCC2)cc1 586914008 YNBJGZSDNRUGQX-UHFFFAOYSA-N 362.351 4.384 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc(CCc3ccccc3Cl)nc1-2 587058798 JNRSBQSLAOIWMC-UHFFFAOYSA-N 361.154 4.415 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Cl)cn1)[C@@H](C2)C3=O 587421857 NSBCWOSADVLVDT-XOBRGWDASA-N 366.804 4.023 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)cc3[nH]c(=N)oc13)CC2=O 587472747 MDOPMLGUPXGBDZ-OAQYLSRUSA-N 366.417 4.087 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(N)cc(C(C)=O)c1)CC2=O 587472904 OHIMRGDALHCIBE-NRFANRHFSA-N 353.418 4.010 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nc(CC)nc1S)CC2=O 587490564 HSTNVJSVHZJYQO-FQEVSTJZSA-N 372.490 4.175 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cn(C)nc3c2)N1 587757308 GYWSNXVVXMDVAY-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cn(C)nc3c2)N1 587758262 IGFDFGJYTLYFGX-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc[nH]c2C(C)(C)C)N1 587790623 IVLZJOFCGNLBEN-LKFCYVNXSA-N 366.278 4.232 0 1 FIAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587848952 QENLCRPLDPQQQX-GLEZIHRCSA-N 356.260 4.282 0 1 FIAF Cc1ccc2cc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)ccc2n1 962759514 BTHQCIIOKVGJQX-RBUKOAKNSA-N 370.374 4.278 0 1 FIAF Cc1cc(OCc2csc(-c3ccccc3)n2)ccc1OCC(=O)O 1857602552 IMZMJTWOKNZYLY-UHFFFAOYSA-N 355.415 4.161 0 1 FIAF COCC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@H](C)CC(=O)OC 2356463219 STFTTZAROIHWSM-APPNUIJFSA-N 366.542 4.362 0 1 FIAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)C(=O)[C@H](C)[C@H]2C(C)(C)CCC[C@]23C)CO1 2356740924 UPPVCQPPDGQFKZ-DLDJGUJDSA-N 364.526 4.355 0 1 FIAF CC[C@H]1[C@@H](OC(=O)Nc2ccccc2)C[C@@H]2CCN3C(=O)CCC[C@H]1[C@H]23 15935330 IPIPSQRUAYRSCU-ANSOJVFESA-N 356.466 4.051 0 3 FIAF COc1cc(F)ccc1-c1csc([C@@H](O)c2ccc(F)c(F)c2)n1 61925886 CHYHIAVZSOSSHK-INIZCTEOSA-N 351.349 4.318 0 3 FIAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)C)c(OC)c1 777251 HXTZLDCGSDAYEU-UHFFFAOYSA-N 360.454 4.042 0 1 FIAF O=C1Nc2cccc3c2[C@@]1(CCCCN1CCc2occc2C1)CCC3 13817860 HYPWGIMZDOLBLN-JOCHJYFZSA-N 350.462 4.034 0 1 FIAF COc1ccccc1C(=O)OC[C@H]1CCCN(CCCc2ccccc2)C1 27203168 KBNPAUMJJDMVAX-FQEVSTJZSA-N 367.489 4.197 0 1 FIAF Cc1cc(Cl)c(CC[C@@H]2C[C@@H](O)CC(=O)O2)c2cc(Cl)ccc12 27871034 SRYPHCHHXWZMKS-CHWSQXEVSA-N 353.245 4.454 0 1 FIAF O=c1[nH]c([C@H]2CC[C@@H](N3CCC(c4ccccc4)CC3)C2)nc2ccccc12 28898950 LJIFLONRFXAXBZ-VQTJNVASSA-N 373.500 4.439 0 1 FIAF O=C(N1CC[C@]2(CCc3ccccc32)C1)C1(c2ccc(Cl)cc2)CC1 43074239 IZOFFRWQNSMOTN-OAQYLSRUSA-N 351.877 4.488 0 1 FIAF COc1cccc([C@H](O)CNc2ccnc(Nc3ccc(Cl)cc3)n2)c1 45168472 BRQWGQONCQGFRK-QGZVFWFLSA-N 370.840 4.028 0 1 FIAF COc1cc(-c2ccc(C3=NN=C4c5ccccc5C(=O)[C@@H]34)cc2)ccc1O 71788705 UJXHFCUDFSABHX-FQEVSTJZSA-N 368.392 4.087 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1 73164058 SJTQIJCVQUFXDG-MRXNPFEDSA-N 369.396 4.490 0 1 FIAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1 82132309 AMCBNTWQRJYNIQ-HNAYVOBHSA-N 364.493 4.274 0 1 FIAF CCNC(=O)N[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 84725240 IAFCPJBLADLACE-WSKGSGNSSA-N 360.542 4.286 0 1 FIAF Nc1nccn2c(C3CC(O)C3)nc(-c3ccc(Oc4ccccc4)cc3)c12 95920877 SAFIVUCEBPHLEO-UHFFFAOYSA-N 372.428 4.009 0 1 FIAF in-vitro COc1c(C)c(CCCCCCCCCC[S@](C)=O)oc(=O)c1OC 96085906 CNSMFTLWDBUIIS-RUZDIDTESA-N 372.527 4.007 0 1 FIAF biogenic,in-vitro Cc1ccc(OCc2nnc(Nc3ccccc3C(=O)O)s2)cc1C 103177100 JQQQPMQJVRREEP-UHFFFAOYSA-N 355.419 4.176 0 1 FIAF CC(C)(C)C(=O)C[C@@H]1c2ccccc2N=C(n2cncn2)N1c1ccccc1 103180992 QVRONIKLCZDDLD-LJQANCHMSA-N 373.460 4.381 0 1 FIAF Cc1cc2c(cc1C)N=C(N1CCN(C)CC1)CC(c1ccc(F)cc1)=N2 139032211 MIDXEUQKOLZPKJ-UHFFFAOYSA-N 364.468 4.244 0 1 FIAF O=C1CCN([C@H]2CCCC[C@H]2OCCc2c(Cl)cccc2Cl)C1 142323329 KRCDDYNOSQYZRA-ZWKOTPCHSA-N 356.293 4.139 0 1 FIAF Cc1nn(-c2ccccn2)c2c1[C@H](c1ccsc1)[C@@H]1C(=O)CCCC1=N2 169690523 DQUQBMQRDYUDDO-OALUTQOASA-N 362.458 4.224 0 1 FIAF COc1ccccc1[C@H]1C[C@@H]2CC[C@@H]([C@@H]1OC(C)=O)N2Cc1ccccc1 195407017 LMGVVDBQPNRMPT-DEXHYYOUSA-N 365.473 4.147 0 1 FIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)c(C)nc3[nH]2)cc1 586885920 DMHZPHYBNRHGBK-ZUZCIYMTSA-N 360.255 4.174 0 1 FIAF COc1cc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2cn1 586966880 UKFSZHCODFUBQL-UHFFFAOYSA-N 365.462 4.061 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Cl)c(O)c(OC)c3)nc2c1 587046417 SUVSNHRUDJLRAL-UHFFFAOYSA-N 367.188 4.038 0 1 FIAF Cc1c(F)ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587120360 ZZQCMEVENXFCAR-UHFFFAOYSA-N 352.335 4.153 0 1 FIAF CCOc1cc(/C=C/c2nc3nc(Cl)c[nH]c-3n2)ccc1OC(F)F 587131363 ZBICNJWXUXQYJU-GQCTYLIASA-N 366.755 4.128 0 1 FIAF NCc1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587245808 FNFWCUDMGGDNMC-UHFFFAOYSA-N 370.172 4.470 0 1 FIAF C[C@@]1(c2ncccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328474 ASGNGGUOPBXYPP-WIYYLYMNSA-N 367.351 4.340 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1ccc(F)c(F)c1)O2 587385035 LIYIHSPXIUIABK-NRFANRHFSA-N 366.367 4.159 0 1 FIAF COc1ccc2[nH]c3c(c2c1)CCC[C@@]31CC(=O)c2cc(C)cc(N)c2O1 587397570 XJYAXLTYWPIMLN-JOCHJYFZSA-N 362.429 4.264 0 1 FIAF C[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C 587517495 OGXCXQYWWUAADA-FPTDNZKUSA-N 371.477 4.299 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnccc1Cl 587547661 MXNUATRSAJACCP-LPHOPBHVSA-N 353.761 4.144 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(c1ccccc1)C2 587580007 AXRSCLXZZLQNDU-REWPJTCUSA-N 373.408 4.003 0 1 FIAF CC(C)[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587800 PXDXHIWKZIKYBR-KNQAVFIVSA-N 361.397 4.300 0 1 FIAF CC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587604562 WUXUAOHLYDVSKH-UGKGYDQZSA-N 360.365 4.298 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)sc2C=O)N1 587738469 OPYOJAYZOHUBCM-KWKYVRJSSA-N 372.234 4.225 0 1 FIAF CCc1ccc(C(=O)CCc2nc3cc(Br)cnc3[nH]2)cc1 587955779 ODLTXCIEDSRSJD-UHFFFAOYSA-N 358.239 4.098 0 1 FIAF O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1cc(-c2ccco2)on1 621476119 OESDZVSZLMXDMU-UHFFFAOYSA-N 368.780 4.085 0 1 FIAF Brc1ccc2c(c1)[C@@H](c1nc3cnccc3s1)NC1(CC1)C2 961614430 LKWHCAOQDOKZMX-HNNXBMFYSA-N 372.291 4.222 0 1 FIAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1nc2ccccc2[nH]1 962691683 AQPCFGOPOADKEI-YJYMSZOUSA-N 353.466 4.155 0 1 FIAF CC[C@]1(c2ccc(Cl)c(N)c2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963581767 OUYOUACBFWYSQQ-MPBGBICISA-N 360.885 4.127 0 1 FIAF O=C(N[C@H]1CC[C@H](Oc2ccnc3ccccc23)CC1)c1cccc(F)c1 1772599243 RKVZTQDYTYUOSZ-IYARVYRRSA-N 364.420 4.494 0 1 FIAF Cc1ccc(-c2nnn(CCCN3CCC[C@H]3c3ccc(C)cc3)n2)cc1 1857587837 UBRTVRINNQLAAZ-NRFANRHFSA-N 361.493 4.184 0 1 FIAF C[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccco3)=NN2C1=O 1857643810 QUKRSZPVALXQPI-SDBXPKJASA-N 351.189 4.045 0 1 FIAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@H](O)C[C@@H](C)[C@@]12C 2356675325 QYNLGACHLVBTPP-GBSCFTLHSA-N 360.450 4.138 0 1 FIAF CCOc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)[nH]cnc-2n1 2382217280 XGOCGWIKFJGMTM-LJQANCHMSA-N 374.444 4.121 0 1 FIAF O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C2CCSCC2)C1 13596167 DMPRDLOPHVEHAX-CQSZACIVSA-N 357.441 4.496 0 3 FIAF O=C1C[C@H](n2cccc2)c2c(Br)sc(Br)c21 1658015 JGLVULMZOHSVQE-LURJTMIESA-N 361.058 4.250 0 1 FIAF CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 3895858 XUNAEGXHIVURLG-PDENGGERSA-N 364.574 4.285 0 1 FIAF Cc1ccc(-c2cccc3c2O[C@H](CNC(=O)CC2CCCC2)C3)nc1 12181951 RTLDBOSSQFXVNI-SFHVURJKSA-N 350.462 4.057 0 1 FIAF CN(C)[C@@H](c1ccccn1)C1CCC(CNC(=O)CC2CCCC2)CC1 19581664 UTADVVGQSDLMRJ-OBFZPWGMSA-N 357.542 4.187 0 1 FIAF C[C@H](O)CNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1 27525534 KCXCFBQZWGUDQC-ZDUSSCGKSA-N 362.408 4.224 0 1 FIAF CCOC(=O)C1=C[C@@H]2[C@@H](CC)CCN3CCc4c(n1c1ccccc41)[C@@H]23 27623747 VGAYLYPKNAGUGZ-JNAXZKDPSA-N 350.462 4.004 0 1 FIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)cc1 29564214 VFLDEIGTSMXRGM-UHFFFAOYSA-N 351.402 4.289 0 1 FIAF COC(=O)c1ccc(C)c(-c2ccc(C(=O)Nc3ccncc3C)s2)c1 34635094 BAEBBDIFQSEKMY-UHFFFAOYSA-N 366.442 4.466 0 1 FIAF CCOC(=O)c1sc2ncnc(Nc3cnc4ccccc4c3)c2c1C 34858285 BGEMPOYSWUNGOW-UHFFFAOYSA-N 364.430 4.468 0 1 FIAF Cc1n[nH]c2ccc(-c3cncc(OC[C@H](CN)Cc4ccccc4)c3)cc12 63298260 GHPFQRTVUDXWCC-SFHVURJKSA-N 372.472 4.130 0 1 FIAF CCC[C@H]1COc2ccc(C)c3c(=O)c(C(=O)NC4CCCCC4)cn1c23 95556475 LQAQVYYPBXCHMH-INIZCTEOSA-N 368.477 4.106 0 1 FIAF CC(C)[C@H](C)Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1 142148853 BGWZZSCHUWSSLM-YOEHRIQHSA-N 354.454 4.410 0 1 FIAF COc1ccc(-n2cnc3c(-c4cccc(OC)c4)csc3c2=O)cc1 221149813 WTQJVGRBYHDLPD-UHFFFAOYSA-N 364.426 4.131 0 1 FIAF CC1=N[C@H](CC(C)C)C(=O)N(Cc2ccccc2)c2cc(C(=O)O)ccc21 473149202 JBFKXHYJAOYXGI-LJQANCHMSA-N 364.445 4.155 0 1 FIAF CC(C)[C@](C)(O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586892388 WXSPNSCIOBPGSO-LBPRGKRZSA-N 351.166 4.208 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)cc(F)c2[nH]1 586962694 GRUSJAKCAYTDSX-LLVKDONJSA-N 352.822 4.403 0 1 FIAF CCOC(=O)Cc1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2c1 586970542 GHBRGQGJLSKPEQ-UHFFFAOYSA-N 368.502 4.453 0 1 FIAF Cc1cccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587004575 XGRXTAKOMAEHAD-NSHDSACASA-N 371.234 4.269 0 1 FIAF COc1ccc2nc(-c3nc4cc5c(cc4[nH]3)OCCCO5)sc2c1 587034873 IJAQFKMCRDLBBS-UHFFFAOYSA-N 353.403 4.010 0 1 FIAF COc1cc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2cn1 587075427 HZEXXRDAMPWLKA-UHFFFAOYSA-N 370.796 4.162 0 1 FIAF C[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](n2cncn2)C1 587104807 JSJJECRTOWCHMU-BFUOFWGJSA-N 366.424 4.209 0 1 FIAF Fc1ccc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(F)c1 587148185 GHJZNAAGDBZFSH-DUXPYHPUSA-N 360.673 4.425 0 1 FIAF CC(=O)N[C@@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccc(C)cc1 587206812 OMOGHSWCEYAKKZ-INIZCTEOSA-N 372.266 4.054 0 1 FIAF Oc1ccc(Nc2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)cc1 587242412 KUVBHRRGQCVOSH-UHFFFAOYSA-N 359.385 4.450 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cnc1Br)O2 587372955 OLAYWVUDVJGUPX-CYBMUJFWSA-N 367.630 4.095 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)cc1N1CCCC1)O2 587384163 BNHLBOPAEPJVMH-NRFANRHFSA-N 354.425 4.197 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(C)ccc1O)[C@@H](C2)C3=O 587448871 HMLGJIIMJGLLNN-YADARESESA-N 372.420 4.400 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(C)c(C(=O)OCC)c1C)CC2=O 587481707 HJDNEFAXLZUKMZ-QGZVFWFLSA-N 371.433 4.173 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCC)(c1c[nH]c(C(=O)O)c1)CC2=O 587483515 MQIHMPXBTQDYRU-FQEVSTJZSA-N 357.406 4.032 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H]1CCCCN1)CC2=O 587483773 LMBWUYSDKXIBBA-GMAHTHKFSA-N 365.473 4.348 0 1 FIAF O=C(O)C[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587529609 QEGYQUVLXQBEFT-IQMFZBJNSA-N 362.425 4.388 0 1 FIAF COC(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533372 VSWXCBDNXWCJHA-FQEVSTJZSA-N 356.443 4.294 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc(Cl)c1 587551606 HMEPLUWZGXMTOD-LPHOPBHVSA-N 353.761 4.144 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccccc2n1 587589171 VYCSGRALQHTAQB-DENIHFKCSA-N 370.364 4.038 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN=O)(c2ccccc2)N1 587743174 WFSGXYSLFLOBPU-PIGZYNQJSA-N 363.230 4.132 0 1 FIAF CC(C)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 587793780 LDJNCFSZWDBMOC-FVMDXXJSSA-N 352.251 4.058 0 1 FIAF COc1ccccc1C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587805076 DCCQDYJTNZUJBS-ABAIWWIYSA-N 364.258 4.415 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccccc32)N1 587833109 FNWZOYIUFMAMLA-VOJFVSQTSA-N 362.242 4.149 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC23CCOCC3)N1 587836106 RRNSHIUSIWIICX-SGTLLEGYSA-N 368.290 4.298 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3sccc32)N1 587854540 CQDXPBGLRMRPNQ-JDNHERCYSA-N 352.272 4.374 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc(C)n1 587864964 WYLCASAGOJBYLW-UHFFFAOYSA-N 367.352 4.031 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cl)nc1 587867982 FZLBSBXPFBQXAG-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1c(F)cccc1F 587870888 KOZIXQHTHPSALZ-UHFFFAOYSA-N 361.323 4.446 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCNc1ccccc1 587870937 VXNBKKLMBGKWSI-UHFFFAOYSA-N 353.397 4.230 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCc1ccc(F)cc1 587871067 YMHMTCKEEZVKBE-UHFFFAOYSA-N 373.428 4.150 0 1 FIAF O[C@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1cccc2ccccc12 653887866 ZDHKZYYYAXUGJL-QTJGBDASSA-N 364.533 4.040 0 1 FIAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1nc2ccccc2[nH]1 962691682 AQPCFGOPOADKEI-ORAYPTAESA-N 353.466 4.155 0 1 FIAF COc1cc(C)cc2c(-c3ccc4c(c3)[C@@](C)(O)N[C@H](C)C4)ccc(O)c12 2356570458 JEHKHSWADGIQQX-QKFKETGDSA-N 363.457 4.229 0 1 FIAF C[C@]12CC=C3C4=C(CC[C@H]3[C@H]1CCC21OCCO1)CC1(CC4)OCCO1 2356862894 VCJRIJKZDDFALD-AQNXPRMDSA-N 358.478 4.110 0 1 FIAF CN(Cc1ccccc1)C(=O)CN1c2ccccc2NC(=O)c2ccccc21 2382221997 OUEFWJNTBBMWOX-UHFFFAOYSA-N 371.440 4.049 0 1 FIAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@@H]1C(C)(C)C(=O)CC[C@]21C 689783 RXIIHKUHSCUOAN-GTJPDFRWSA-N 360.450 4.079 0 1 FIAF biogenic Cc1ccc2c(c1)c([S@](=O)c1ccc(Cl)cc1)c(C)n2CC(=O)O 3937539 DNEDPPSLQNDMAL-DEOSSOPVSA-N 361.850 4.163 0 1 FIAF CCCc1cc(C(=O)OC)cc(Cl)c1O[C@H](C(=O)O)c1ccccc1 13539272 BYRCOLHSDXCBKC-KRWDZBQOSA-N 362.809 4.284 0 1 FIAF CCN(CC)CCn1nc2c3c(c(Cl)ccc31)[S@](=O)c1ccccc1-2 29317874 LHSHAKBGBKSNIF-VWLOTQADSA-N 373.909 4.179 0 1 FIAF NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)cc4)cc3)nc2n1 36179311 JKCDNKQAKWXQNO-UHFFFAOYSA-N 364.792 4.170 0 1 FIAF C[C@H]1CC2=C(C(=O)O1)[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 40424080 XLYBTASYNKDQQN-YPMLDQLKSA-N 369.804 4.216 0 1 FIAF COC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1 66252100 XZINCLNTAXQIEI-HNNXBMFYSA-N 358.438 4.338 0 1 FIAF COc1cc(C2=NO[C@@H](COc3cc(C)ccc3C(C)C)C2)ccc1O 82155648 OXEZNVPLXAVNLY-MRXNPFEDSA-N 355.434 4.405 0 1 FIAF Cc1cccc(-c2nc(NC[C@H]3CCCO3)ncc2-c2ncc(C)o2)c1 82173178 PVUZDVUHVFXIRC-MRXNPFEDSA-N 350.422 4.006 0 1 FIAF CC[C@]12CCN(C)[C@@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 84688501 JRMZFWBHWGXMJV-TZIWHRDSSA-N 351.450 4.057 0 1 FIAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(-c4ccccc4)s1)CN32 100969787 KMHHAGQMYNMKGL-JHSRYOBTSA-N 365.498 4.454 0 1 FIAF Cc1ccc(N2CCc3ncnc(N[C@H](C)c4cccc(F)c4)c3C2)nc1 114995097 GJAUWURFLVNMPO-OAHLLOKOSA-N 363.440 4.055 0 1 FIAF C=C/C(C)=C\C[C@H]1[C@](C)(O)[C@@H](O)[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C 169661145 COFSRJDBTTZNBZ-VMXWTMOCSA-N 364.526 4.015 0 1 FIAF CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN([C@@H]13)[C@@H]2CC(C)=O 238788601 RJITZLAAWJSIDF-YGNUFUGRSA-N 366.505 4.284 0 1 FIAF CCc1ccc(-c2nc3cccc(C(=O)OC)c3[nH]2)cc1Br 586977354 LZCGRYWTOQPZRD-UHFFFAOYSA-N 359.223 4.341 0 1 FIAF Cc1nc(O)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993082 DRDIDMSHERYLSG-UHFFFAOYSA-N 360.394 4.289 0 1 FIAF Oc1nncc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015312 LLUGSLDGXOLLOI-UHFFFAOYSA-N 364.217 4.156 0 1 FIAF Clc1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 587070694 UHYBJVJAIOBOOH-UHFFFAOYSA-N 354.578 4.488 0 1 FIAF CSc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587123584 IXSIWMCXTPIZKP-AMIZOPFISA-N 367.400 4.456 0 1 FIAF CCCc1nc(-c2nc3c(ccc4ncccc43)[nH]2)nn1-c1ccccc1F 587156592 WZDCQHIGNVTBMU-UHFFFAOYSA-N 372.407 4.450 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587232924 FLYKUAFVHZKTPJ-WPRPVWTQSA-N 371.268 4.426 0 1 FIAF C[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332909 GLLHVJYBNFAGPC-IFMALSPDSA-N 363.388 4.388 0 1 FIAF C[C@]1([C@H]2CCCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361035 XGFBYNRFAZQVKZ-ONTRVFCTSA-N 356.393 4.076 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(C)o1)CC2=O 587476664 DIYCWANAHNVJPN-OAQYLSRUSA-N 372.417 4.060 0 1 FIAF O=C1C[C@@]2(CCCn3c(O)nc4cccc2c43)Oc2c1ccc1c2CCCC1 587525525 MSIMEIVAYJZVFE-HSZRJFAPSA-N 374.440 4.275 0 1 FIAF Cc1ccc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587565706 QRSYDBGLBYBRKT-UHFFFAOYSA-N 357.282 4.499 0 1 FIAF C[C@]1(c2cnc3ccoc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588611 UFKGFTFBBKVBTA-DENIHFKCSA-N 373.364 4.410 0 1 FIAF CC(C)(CC(=O)O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601844 FXBZSZQMXTYPJG-DYESRHJHSA-N 370.401 4.004 0 1 FIAF CC1(C)CSC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587620418 ZGWPUSXCDSOJFT-JXFKEZNVSA-N 356.443 4.256 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c3ncccc23)N1 587757088 MQIIOUPSTPFHQH-BMLIUANNSA-N 374.257 4.099 0 1 FIAF CC(C)c1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587776567 YAJDFJKUFUKTHU-QFYYESIMSA-N 364.262 4.125 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccncc32)N1 587779619 UTSFDZSHMLQZPI-BBATYDOGSA-N 361.258 4.097 0 1 FIAF CCCC(=O)O[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790191 GIODADNUGGUBAI-CZIZLABSSA-N 372.278 4.069 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3n[nH]cc3c2)N1 587794301 LVSFVWWHEOFIBY-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF COc1ccc(-c2ccc(-c3nc4ccc(C)nc4[nH]3)c(O)c2)cc1OC 587928107 YJDWKODNYCOTQG-UHFFFAOYSA-N 361.401 4.323 0 1 FIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587932822 ZQMDRPPBLVUOPY-VOJFVSQTSA-N 358.344 4.338 0 1 FIAF COc1cc([C@H]2NCCc3cccc(Cl)c32)c(Br)cc1O 963392286 ZGOBSPCJXVVEHE-MRXNPFEDSA-N 368.658 4.052 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(Cl)c3)C2)cc1 1772627107 JFKWTZHKLMYTDF-XOBRGWDASA-N 358.869 4.195 0 1 FIAF CCCCCCn1nnc2c1CCN(c1ccc(C(F)(F)F)cc1)C2 1857649103 FQBIXJVRVHFHOP-UHFFFAOYSA-N 352.404 4.440 0 1 FIAF NC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 695924 JJUMZLXRSYTOKT-CVEARBPZSA-N 362.454 4.256 0 1 FIAF Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1 3815160 BEXPELAOVIOQHQ-UHFFFAOYSA-N 350.813 4.362 0 1 FIAF COc1ccc(Cn2c(-c3ccco3)nc3c(-c4ccco4)ncnc32)cc1 28877901 ZROKPNUILULXJM-UHFFFAOYSA-N 372.384 4.403 0 1 FIAF FC(F)(F)Oc1ccccc1O[C@H](c1cccnc1)C1CCNCC1 43076917 PUMRLCALOZDUIE-KRWDZBQOSA-N 352.356 4.100 0 1 FIAF O=C(c1cc2ccccc2[nH]1)c1cc2c(NCc3ccccc3)ncnc2[nH]1 73197104 HFGHDBBXVPOUGP-UHFFFAOYSA-N 367.412 4.282 0 1 FIAF Cc1cccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2nc(C)c(C)o2)c1 82173180 LTVZPRPBQVAAPC-KRWDZBQOSA-N 364.449 4.315 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C 85993548 COFSRJDBTTZNBZ-WTIABLRWSA-N 364.526 4.015 0 1 FIAF in-man COc1ccc(C(OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccc(OC)cc2)cc1 100738034 UVTIKAPUYIWFDZ-OALUTQOASA-N 367.489 4.435 0 1 FIAF CCNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@@H](C2)N(CC1CC1)CC3 101114998 RVWFZRGYOXCUSN-LSWJPFSZSA-N 368.521 4.263 0 1 FIAF CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118912535 YRLVTBXOGJMZNC-WSWZUSLFSA-N 372.505 4.217 0 1 FIAF Cc1nn(Cc2ccccc2)c2nc3ccccc3c(NCCCN(C)C)c12 169332541 HXALTWHCMFJNGN-UHFFFAOYSA-N 373.504 4.305 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C(C)C)n3)C2)cc1 169709269 OYXIOEIPXKSTHR-JXFKEZNVSA-N 367.493 4.060 0 1 FIAF C[C@H]1c2[nH]c3c(Br)cccc3c2Cc2c(O)n(C)c(=S)n21 169729595 RMHIFUYCNDMYRQ-ZETCQYMHSA-N 364.268 4.019 0 1 FIAF COc1ccc(CCCCC(=O)CCc2ccc(O)c(OC)c2O)cc1 210798210 RLOXNCZVTMZVET-UHFFFAOYSA-N 358.434 4.030 0 1 FIAF CC(C)CCc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1 224561792 FZSGCRCYGOYAKK-UHFFFAOYSA-N 353.401 4.036 0 1 FIAF CN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21 253644876 IHPIDUYTHZDHCH-MOXGXCLJSA-N 352.478 4.004 0 1 FIAF C1=CN2C=CC1=NCc1cccc(c1)CN=C1C=CN(C=C1)CCCCC2 377815060 ILANRBAYOCLSIT-UHFFFAOYSA-N 358.489 4.439 0 1 FIAF COc1cc(/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)ccc1Br 586977953 SPYYJQGXPCATRL-HYXAFXHYSA-N 369.222 4.381 0 1 FIAF CCn1cc(Br)c(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)n1 587000021 JSOGXDSZLLIZRP-UHFFFAOYSA-N 361.287 4.430 0 1 FIAF COC(=O)[C@@H]1CCCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587106092 DWSTVGUZPYCZBI-QGZVFWFLSA-N 357.409 4.429 0 1 FIAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(C)nc3[nH]2)cc1F 587143644 CJYROUKPSUAMRW-UHFFFAOYSA-N 361.376 4.312 0 1 FIAF CC[C@@H](Oc1ccccc1F)c1nc2cc(Br)cnc2[nH]1 587156268 RYKBCUZTFBNXMB-GFCCVEGCSA-N 350.191 4.390 0 1 FIAF Fc1cc(Cl)cc2nc(-c3cncc(I)c3)[nH]c12 587184091 DFUCIRXCWOQWJI-UHFFFAOYSA-N 373.556 4.022 0 1 FIAF Cc1cc(Br)c2[nH]c(CCC(=O)c3ccc(N)cc3)nc2c1 587251204 BUYYTPMORUQQBY-UHFFFAOYSA-N 358.239 4.032 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)c(Cl)cc(Cl)c1O)O2 587375797 PFHIGYHAYZCHDU-GFCCVEGCSA-N 354.189 4.002 0 1 FIAF CCCN1CCCc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 587402177 ZDGGYMOCHOWUBY-NRFANRHFSA-N 350.462 4.446 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)cc(Br)c1)[C@@H](C2)C3=O 587417851 MWLZZOUQCIVZDD-KXBFYZLASA-N 373.246 4.429 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCC(C)CC4)cc1)[C@@H](C2)C3=O 587438938 SBNXLIHCTJTRLH-CVDCTZTESA-N 363.457 4.420 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC[C@H]3CO3)cc1)CC2=O 587482166 CDUSPBQCARFUSJ-KSFYIVLOSA-N 368.429 4.003 0 1 FIAF Cc1noc(C2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)n1 587523273 HEUKLPQFUVZMNL-UHFFFAOYSA-N 352.434 4.319 0 1 FIAF O=Cc1sc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572545 VVDIAOOPSNTYGT-VQIMIIECSA-N 370.357 4.108 0 1 FIAF CNc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576240 GEWOTBJJBRHQHO-DENIHFKCSA-N 361.397 4.311 0 1 FIAF C[C@]1(c2coc(C3CC3)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584512 AQKPMQMRVGMEPA-LAUBAEHRSA-N 363.369 4.135 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccccc1C2 587604304 SKBSXYSSHIIFTQ-NFBKMPQASA-N 358.393 4.282 0 1 FIAF O=C1CCC(=O)N1c1c(-c2ccccc2F)[nH]c2cc(Cl)c(F)cc12 587629262 HGDNSASYONHAHH-UHFFFAOYSA-N 360.747 4.420 0 1 FIAF CC(C)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C 587761409 BGBLKTLJCJHAGJ-DYZYQPBXSA-N 366.278 4.069 0 1 FIAF CCCC(=O)O[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790193 GIODADNUGGUBAI-RVPKQNPDSA-N 372.278 4.069 0 1 FIAF COc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587804562 BGORJCRYXJFFIO-DYZYQPBXSA-N 350.231 4.220 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccccc32)N1 587836358 SZAKPHXDRCVRQX-BBATYDOGSA-N 362.242 4.149 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1F 587865159 RMSVILLJWDOTLE-UHFFFAOYSA-N 351.303 4.491 0 1 FIAF COc1ccc2c(c1OC)[C@H](c1cc(Cl)cnc1Cl)N(C)[C@H](C)C2 962573334 RFOXAIDKUXIZQK-HWPZZCPQSA-N 367.276 4.371 0 1 FIAF Cn1cc(-c2nccc3c(Nc4ccc(F)c(Cl)c4)c(N)oc23)cn1 1857773972 YCKNWQUPGSHCLL-UHFFFAOYSA-N 357.776 4.347 0 1 FIAF CO[C@@H]1CC(=CC[C@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@@H]32)C(=O)O1 2356594938 MRXKWDQPIXXGBB-KJLKHCSASA-N 362.466 4.086 0 1 FIAF Oc1ccc(-c2cnc3cnc(-c4cnn(Cc5ccccc5)c4)cn23)cc1 2382228299 QGNJUGZSDATIJE-UHFFFAOYSA-N 367.412 4.014 0 1 FIAF CCOc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1 66148793 ODBFITQLIBHDCW-UHFFFAOYSA-N 356.809 4.385 0 3 FIAF COc1cc(OC)cc(Oc2nc3ccccc3nc2C(F)(F)F)c1 1659553 FSVNAQSSCVSYRP-UHFFFAOYSA-N 350.296 4.458 0 1 FIAF C[C@@H](C(=O)O)[C@H]1Sc2ccccc2N(Cc2cccc(Cl)c2)C1=O 3050283 OCPWXJIVNZLDPI-BDJLRTHQSA-N 361.850 4.068 0 1 FIAF CCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1ccc(OC)cc1 27547621 LHPCKVWXNPMZOM-UHFFFAOYSA-N 369.461 4.184 0 1 FIAF CCN(CC)CCCCCCNc1cc(OC)cc2c(C)cc(=O)[nH]c12 28085569 GALHSWFMYJJZKO-UHFFFAOYSA-N 359.514 4.159 0 1 FIAF CCNc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 28351728 QMRYABJCLZAXIS-UHFFFAOYSA-N 363.371 4.464 0 1 FIAF c1ccc(Nc2nc(NCc3ccncc3)nc(Nc3ccccc3)n2)cc1 34322887 AIIBMOBVXYBECR-UHFFFAOYSA-N 369.432 4.366 0 1 FIAF O=S(=O)(c1ccccc1)N1N=C2CCCC[C@H]2[C@H]1c1ccc(F)cc1 43018636 ZSNSJUREWIYXSW-IEBWSBKVSA-N 358.438 4.118 0 1 FIAF CC[C@@H]1c2c[nH]nc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 45262093 KJQPRNCOTYTPSD-MRXNPFEDSA-N 373.865 4.390 0 1 FIAF Cc1cscc1-c1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1 45303335 ISYNRKKNWPXOCT-UHFFFAOYSA-N 355.488 4.236 0 1 FIAF O=C(NCCCCN1CCCCC1)Nc1ccc(-c2cccnc2)cc1 49054364 VQCSQLSSMLSFLL-UHFFFAOYSA-N 352.482 4.136 0 1 FIAF CN1C(=N)N[C@](c2cccc(-c3cccc(Cl)c3)c2)(C2CCCC2)C1=O 84604813 TYMVGXIPQGTWEX-NRFANRHFSA-N 367.880 4.389 0 1 FIAF CCOC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1 95595480 MKNKYIBULNNKQR-UHFFFAOYSA-N 366.808 4.083 0 1 FIAF CC1=Nc2ncnn2[C@@H](c2cccc(F)c2)/C1=C(\O)OC1CCCCC1 104115662 SNBNIFVUQJTXTC-HVESIFNPSA-N 356.401 4.232 0 1 FIAF CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1 145649748 WLNOCUMXGFHYHB-FIKGOQFSSA-N 355.478 4.065 0 1 FIAF NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3F)cc2)CC1 149693355 HGQXBRHZRCCGGT-WJTCQHJGSA-N 354.469 4.120 0 1 FIAF CC(C)CNC(=O)[C@@H]1[C@H]2CCCC[C@H]2C=C[C@H]1c1ccc2c(c1)OCO2 238781638 XXCDOPSOGKREDB-QUJKESNLSA-N 355.478 4.264 0 1 FIAF Clc1ccc2ccn(Cc3nc4cncc(Br)c4[nH]3)c2c1 587079704 GANWYBKGVSQBGX-UHFFFAOYSA-N 361.630 4.377 0 1 FIAF C[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)C=C(c2ccccc2F)NO1 587154394 FAKKOUMBNDSRQV-MRXNPFEDSA-N 365.195 4.195 0 1 FIAF Cc1cc2nc(-c3cccc(NC(N)=O)c3C)[nH]c2cc1Br 587240769 WKYBTUURMSGKKZ-UHFFFAOYSA-N 359.227 4.100 0 1 FIAF CCc1ccccc1NC(=O)c1nc2cc(Br)c(C)cc2[nH]1 587241559 VZUXLQITXBVUMK-UHFFFAOYSA-N 358.239 4.449 0 1 FIAF O=C(c1coc2ccc(Cl)cc12)[C@H]1CN(Cc2ccccc2)CCO1 587278116 GUZGJTASANYTLP-LJQANCHMSA-N 355.821 4.170 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(C)(C)C)cc(C=O)c1O)O2 587404105 NBTDFSHNFIEJBR-SFHVURJKSA-N 353.418 4.099 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1csc(Br)c1)[C@@H](C2)C3=O 587451645 KVRNPRTVBWTXJL-MEDUHNTESA-N 365.248 4.182 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ncnc1Cl)CC2=O 587462473 QLCCMUPJKNAFTK-LBPRGKRZSA-N 353.205 4.148 0 1 FIAF O=C(O)CCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525955 WTRQVOGJQBRHET-HXUWFJFHSA-N 366.413 4.125 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)ccc1F 587568450 LXEYCEPSWKUYNP-KXBFYZLASA-N 371.751 4.283 0 1 FIAF CC(C)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587579328 DHIQGAPNAVCLLD-WIYYLYMNSA-N 364.401 4.047 0 1 FIAF O=C(O)Cc1c(CCC(=O)c2ccc(Cl)cc2)[nH]c2cccc(F)c12 587632673 HANGGYVOGQFJCO-UHFFFAOYSA-N 359.784 4.403 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N)c(Cl)c2)N1 587696521 PLOWPAQLIQFBFZ-PWJLMRLQSA-N 369.665 4.447 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(O)c2F)N1 587716753 DTGCAQVWJQGSNT-MLXNANBUSA-N 372.184 4.196 0 1 FIAF COc1c(F)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587718738 JHYFNXWZDYWFJZ-XXFAHNHDSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COc2ccccc2F)N1 587729619 WDDBGLCZWOWTSC-YGRLFVJLSA-N 368.221 4.382 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3ccccc23)N1 587794273 LLBCJQKMDZAPBS-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF CC[C@@]1(C2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587834850 MQENYTUAZZHQQL-DIFFPNOSSA-N 356.279 4.154 0 1 FIAF O=C(Cn1nc(C(F)F)cc1C1CC1)n1nc2cc1Oc1ccc(F)cc1-2 587873353 AEDVOZSEBBXTKC-UHFFFAOYSA-N 374.322 4.147 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 587928626 AGERQZGOWXSBTI-ZHRRBRCNSA-N 364.445 4.122 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587953099 ZMYUCABPBIXCOU-AHIWAGSCSA-N 350.484 4.013 0 1 FIAF CC[C@]1(c2cc(N)ccc2C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618978 CUSAYKRAWXZHBE-QRQCRPRQSA-N 354.494 4.124 0 1 FIAF COc1ccc2c(c1OC)[C@@](C)(c1cccc3c1NCCC3)N(C)[C@H](C)C2 962632638 RSWJUKMNXGSLPH-IQMFZBJNSA-N 366.505 4.202 0 1 FIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cc(-c3ccccc3)cs2)N1 962904899 XRPGZFLEJCWOOX-QFBILLFUSA-N 353.418 4.243 0 1 FIAF CCc1cccc(CC)c1-n1ccc([C@@H]2NCCc3nc4ccccn4c32)c1 962986441 UBBQQWIUCYTBEQ-QFIPXVFZSA-N 370.500 4.485 0 1 FIAF Cc1sc(-c2ccccc2)nc1COc1ccc(OCC(=O)O)c(F)c1 1857564335 XKVSFBVVFLVHFL-UHFFFAOYSA-N 373.405 4.300 0 1 FIAF O=C1Nc2ccc(C(=O)c3ccco3)cc2/C1=C/c1ccnc(Cl)c1 1857612757 JRNGJGGQMCWJAM-ZSOIEALJSA-N 350.761 4.052 0 1 FIAF FC(F)(F)c1ccc(-c2cn(Cc3ccc(-c4cn[nH]c4)cc3)nn2)cc1 1857620948 HUBIPQNHRKHYAE-UHFFFAOYSA-N 369.350 4.402 0 1 FIAF Cc1ncc(C)n2nc(-c3ccc4nc(-c5cccc(F)c5)[nH]c4c3)nc12 1857636662 MGXFLBNALZOGMM-UHFFFAOYSA-N 358.380 4.091 0 1 FIAF COc1ccc(CN2C(=O)Cc3cc(-c4ccc(OC)cc4)ccc32)cc1 1857656732 ZHYYSTBSIDKXEP-UHFFFAOYSA-N 359.425 4.460 0 1 FIAF O=c1cc(-c2ccc3c(c2)OCO3)oc(O)c1SCc1ccccc1 6580398 RZFDFYFFZDAYTQ-UHFFFAOYSA-N 354.383 4.033 0 1 FIAF COc1cccc(-c2nn(C)c3sc(C(=O)N4CCC[C@H](C)C4)cc23)c1 6771375 FYVMDMQVIYMXOL-ZDUSSCGKSA-N 369.490 4.183 0 1 FIAF Cc1c(Cc2c(F)cccc2F)nc(SC2CCCCC2)[nH]c1=O 13556549 NZDLBBJYDRLQCG-UHFFFAOYSA-N 350.434 4.372 0 1 FIAF COc1cccc2c1CCC[C@H]2CCN1CCN(c2ccccc2)CC1 13760530 JAVQDOJQALZLNZ-IBGZPJMESA-N 350.506 4.327 0 1 FIAF CCCCCN1CCN([C@H](Cc2cccc(O)c2)c2ccccc2)CC1 29481210 QOKKOYBOMWAOMS-HSZRJFAPSA-N 352.522 4.484 0 1 FIAF O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1 59366172 KNBWSYZJPCTFGB-UHFFFAOYSA-N 372.453 4.357 0 1 FIAF CC(C)Cc1sc(-c2ccccc2)nc1-c1ccc(P(=O)(O)O)o1 66112020 XDMLNJVXGLKUEC-UHFFFAOYSA-N 363.375 4.072 0 1 FIAF COc1ccc(CCN[C@@H](C)COc2c(C)ccc(C)c2C)cc1OC 66165943 DJFSMTKGHBXWGG-KRWDZBQOSA-N 357.494 4.229 0 1 FIAF CCOC(=O)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72184859 SFKUCXBBGSFQPI-LJQANCHMSA-N 373.884 4.035 0 1 FIAF COc1ccccc1Nc1nnc([C@H](O)c2ccc(SC)cc2)s1 82083321 KNEFPEDCASQJGH-OAHLLOKOSA-N 359.476 4.094 0 1 FIAF CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)nc1 95597584 ZPHWVWUIDMOUMV-UHFFFAOYSA-N 373.460 4.389 0 1 FIAF Clc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1 96271310 RANUNRLHJXMVHG-UHFFFAOYSA-N 364.880 4.153 0 1 FIAF Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ncc23)cc1Cl 144713684 ARHFECFMOBQKGB-UHFFFAOYSA-N 351.797 4.477 0 1 FIAF CCNC(=O)Nc1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1 203673430 XKNKSXHITXPWPU-UHFFFAOYSA-N 363.446 4.235 0 1 FIAF Cc1cc(O)c2c(c1)Oc1c(O)cc(O)c(Oc3cc(O)cc(O)c3)c1O2 205729728 ARZMNZGBFNSOIR-UHFFFAOYSA-N 370.313 4.213 0 1 FIAF CCCCC(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 299833669 VRAYMAROOVCATP-UHFFFAOYSA-N 357.294 4.152 0 1 FIAF Oc1nc2c(n3ccnc13)Cc1c-2cccc1-c1cccc2ncccc12 299866331 VRYQEDFYAFWXLS-UHFFFAOYSA-N 350.381 4.221 0 1 FIAF COc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Cl 586913122 MYQSADIJPPBNKE-UHFFFAOYSA-N 358.825 4.027 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586963430 NTHHIUPPIMQBMJ-SECBINFHSA-N 370.265 4.312 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4ccc(Cl)nc4[nH]3)n2C)cc1 586964995 HFWPIQDAGLSVHF-UHFFFAOYSA-N 370.869 4.008 0 1 FIAF O=C1c2ccccc2-c2cc(-c3ncc(F)cc3F)nc3ccc(O)c1c23 586988321 JMSHMTXVQSNBQY-UHFFFAOYSA-N 360.319 4.492 0 1 FIAF CC(C)(C)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587034372 IAEQWQQKXXPTTR-UHFFFAOYSA-N 353.491 4.341 0 1 FIAF COc1cc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cn1 587045900 JBJLFUSMMZWAHP-UHFFFAOYSA-N 361.829 4.330 0 1 FIAF Fc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1F 587077760 ZMEHHLHPQIZSIO-UHFFFAOYSA-N 360.751 4.330 0 1 FIAF Fc1cc(Br)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587123397 IXSFOXNQIWBASM-UHFFFAOYSA-N 372.144 4.170 0 1 FIAF Fc1ccc(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)c(F)c1 587147899 CPHXZMVUQYVXFR-DUXPYHPUSA-N 354.129 4.308 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)C1CCCC1 587227493 YFKZDVKIIVGHRO-CVEARBPZSA-N 373.457 4.043 0 1 FIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(C(=N)N)cc2[nH]1 587246524 BUVQDSCKRQSETJ-UHFFFAOYSA-N 371.444 4.262 0 1 FIAF COc1cc(C)c(N)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 587250143 UMNMTCBEKFVXIF-UHFFFAOYSA-N 350.191 4.031 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)c3ccccc3)nc1)O2 587386068 HIKWAXLMJPWONR-FQEVSTJZSA-N 359.429 4.447 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O 587424184 XXXCIXRLIMNDPV-SUMWQHHRSA-N 350.292 4.083 0 1 FIAF COC(=O)c1ccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522858 IEPRSZNEFNNZNO-GOSISDBHSA-N 364.441 4.319 0 1 FIAF COc1cccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553366 ANZBQWWKDTXYOZ-RXVVDRJESA-N 366.344 4.243 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(C(C)(C)C)N1 587742165 QGKBDIHCBUSTDD-WVSSRXBESA-N 369.322 4.439 0 1 FIAF COC(=O)Cc1ccccc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 587783120 FXVNNDJBHTWACR-UHFFFAOYSA-N 373.250 4.325 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2NCC3)N1 587797358 SCBHGZNTOCGIPR-MGNBDDOMSA-N 361.258 4.180 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nc[nH]c3c2)N1 587803368 PODRUAPMUJGBFU-XYZCENFISA-N 360.230 4.088 0 1 FIAF CCc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587850938 GQUBXGCLELIPQE-ANRSDYALSA-N 355.276 4.231 0 1 FIAF Cc1ccc(C)c(-c2cnnc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)c1 587875640 SYTIUIWBDYBCTM-UHFFFAOYSA-N 359.364 4.253 0 1 FIAF COc1cc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)ccc1O 1772599033 CIXAFRQQSKZLEP-OAHLLOKOSA-N 355.415 4.131 0 1 FIAF COc1ccc([C@@H]2[C@@H]3C=CC=C[C@@H]3C(=O)N2c2ccc3nc[nH]c3c2)cc1 1772642357 LZSCUGXGMFTCOP-LVCYWYKZSA-N 357.413 4.018 0 1 FIAF CCCC(=O)c1c(O)c(C=O)c2c(c1O)C[C@@H]1C[C@@H](C(C)C)C=C[C@]1(C)O2 2356538052 PQFNMBGRBKEIGP-OKHZJLECSA-N 372.461 4.435 0 1 FIAF COc1ccc(OC)c(-c2ccc(-n3cc(-c4cccnc4)nn3)cc2)c1 2382248202 JUOOKMXPMCKVAM-UHFFFAOYSA-N 358.401 4.014 0 1 FIAF O=C(/C=C/c1ccc(C(F)(F)F)cc1)Oc1cc(=O)oc2ccccc12 2382259741 UQKKLQPJKGFQPY-JXMROGBWSA-N 360.287 4.431 0 1 FIAF CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 16968970 NJCJHGJZWVIYPY-LCDLLCBDSA-N 370.489 4.043 0 3 FIAF COCc1cccc(-c2csc([C@@H](O)c3ccc(F)c(OC)c3)n2)c1 61906198 MZVFRAPPYDNNQV-SFHVURJKSA-N 359.422 4.186 0 3 FIAF Clc1ccc(-c2nnc3ccc(SCc4ccccn4)nn23)cc1 4062778 VMKVBKLPMHKCSO-UHFFFAOYSA-N 353.838 4.132 0 1 FIAF O=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1ccccc1 4336620 KMIVFOQFRIPVDV-UHFFFAOYSA-N 362.448 4.373 0 1 FIAF CCCCC(=O)NS(=NC(=O)c1ccccc1)C(Cl)(Cl)Cl 5782177 OYXPZEUTSDLDBK-UHFFFAOYSA-N 369.701 4.178 0 1 FIAF CN(C)C(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 6738673 ZZFNPRAZRDJCOW-MOPGFXCFSA-N 368.502 4.060 0 1 FIAF O=C(Nc1ccc2ccccc2c1)N1CCN(c2ncccc2Cl)CC1 13553822 ZMABZYFTPAMERF-UHFFFAOYSA-N 366.852 4.242 0 1 FIAF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccc(F)cc1 13651714 UPKFWAHZBSKIDG-UHFFFAOYSA-N 365.404 4.379 0 1 FIAF O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H](C(=O)n2cccc2)C[C@@H]2CCCC[C@@H]21 26471150 MASOCVYRNDTIKP-ZPAWYTMASA-N 362.473 4.092 0 1 FIAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)CC[C@H](CC2CCCCC2)O3)S1 26971746 JHNHQBQYCNSPNN-AEFFLSMTSA-N 359.491 4.245 0 1 FIAF CC(C)c1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569475 VIPDZPOMLGUEEK-UHFFFAOYSA-N 368.277 4.359 0 1 FIAF OCCOCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12 29486292 BRWQVEWGHJXMMT-UHFFFAOYSA-N 358.441 4.476 0 1 FIAF COc1cccc(C(=O)NCCOc2ccccc2)c1Oc1ccccc1 45230196 RQFNCWAHHYXKJC-UHFFFAOYSA-N 363.413 4.296 0 1 FIAF COc1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=O)CC3)c1 71329411 BGZJNRMDJVRCMI-UHFFFAOYSA-N 356.425 4.260 0 1 FIAF COc1ccc(-n2nc(SC)c3ccc(C4=CCNCC4)cc32)cc1 72140873 QUVKTRFGMBUQQH-UHFFFAOYSA-N 351.475 4.133 0 1 FIAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)NCC2CC2)c1 82145681 QSBRUVQIONUPSQ-UHFFFAOYSA-N 364.493 4.336 0 1 FIAF O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1 95572080 VWGQLAULLSZALS-UHFFFAOYSA-N 370.255 4.434 0 1 FIAF O=C(CCCN1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2)c1ccc(F)cc1 101023300 CPDKHEPGGZULPR-SFTDATJTSA-N 367.464 4.303 0 1 FIAF in-vitro CCCCC[C@@H](O)/C=C/[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101197331 IWSCITFBDCQRGG-ICALZHQISA-N 350.499 4.479 0 1 FIAF COC(=O)[C@@]1(/C=C2/c3ccccc3[C@@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 104691952 ASIWMRFKVKKMJP-WXTXNPSFSA-N 362.425 4.125 0 1 FIAF N=C(Nc1ccc2c(c1)N(CCN1CCCC1)CCS2)c1cccs1 113972443 WMMWYSTWKYLRNH-UHFFFAOYSA-N 372.563 4.193 0 1 FIAF CC(C)(N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165185862 HMYMNFKPWVBTPJ-UHFFFAOYSA-N 350.443 4.309 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)NCC[C@@]43C)[C@@H]1CC=C2n1ccnc1 169274800 BLKMBYFZQVAOIY-CSOYKPOESA-N 353.510 4.103 0 1 FIAF CC(=O)OC[C@@]1(C)C[C@H](O)C[C@]2(C)[C@@H](CC/C(C)=C/CO)C(C)=CC[C@@H]12 238757575 RXNUONBNCKZRCS-KXDPKLCFSA-N 364.526 4.018 0 1 FIAF O=C(O)c1ccccc1/C=C/c1nc2ccc(Br)c(F)c2[nH]1 586880787 SADLQTSAZFAVMY-VMPITWQZSA-N 361.170 4.333 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(O)ccc1C3 586991355 NDUNAAMJPNMAJT-UHFFFAOYSA-N 351.361 4.429 0 1 FIAF COc1cc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2cn1 587002650 CBLOVCOSVRFXIF-UHFFFAOYSA-N 358.195 4.451 0 1 FIAF Brc1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587016555 NAYMTNZMBSCERN-GFCCVEGCSA-N 350.241 4.300 0 1 FIAF Cc1c(Cl)ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 587039795 VFYUGPKCWBPYMK-UHFFFAOYSA-N 365.846 4.390 0 1 FIAF Cc1onc(-c2nc3c(C)cncc3[nH]2)c1COc1ccccc1Cl 587062955 DMIYUXDDHPPLFK-UHFFFAOYSA-N 354.797 4.462 0 1 FIAF C=CN1CC[C@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)C1=O 587097918 QSQIZNVAJPZGBS-MRXNPFEDSA-N 354.409 4.214 0 1 FIAF FC(F)(F)c1cc(CCc2nc3cncnc3[nH]2)cc(C(F)(F)F)c1 587110577 BCNOMTXNUQNPLD-UHFFFAOYSA-N 360.261 4.176 0 1 FIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587115847 CEGNPVZCPYVJGQ-UHFFFAOYSA-N 370.549 4.337 0 1 FIAF OC1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCC(C(F)(F)F)CC1 587127459 XXKZLIKQXWKZPY-UHFFFAOYSA-N 368.277 4.402 0 1 FIAF Fc1cc(CCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(F)c1F 587138050 DDQSJTVKVFHQBF-UHFFFAOYSA-N 356.250 4.087 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1CC=C(Br)CC1)O2 587371942 IIZRKBDGNUVCJG-PIGZYNQJSA-N 350.256 4.380 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc(Cl)cc1)O2 587379088 SHGZJCOMJXDLCM-IBDYFIJFSA-N 356.853 4.167 0 1 FIAF CCOc1ccc([C@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441834 HVWWZLLRQBOWSR-GCJKJVERSA-N 350.414 4.147 0 1 FIAF Cc1cc(C)nc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587512109 KYPGWJQAJNHQNO-OAQYLSRUSA-N 373.456 4.469 0 1 FIAF C[C@]1(c2ccc(-n3cncn3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587517388 MGRROUGWUZNSHK-JOCHJYFZSA-N 359.429 4.027 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccnc1F 587566627 AAOOPOIFMAABKU-MAUKXSAKSA-N 371.751 4.283 0 1 FIAF COc1ccc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596080 UKMJAGSARBEQIB-UGKGYDQZSA-N 362.381 4.412 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Cl)c2)N1 587704879 KXMRSGIWSIFAGI-AYVTZFPOSA-N 355.638 4.260 0 1 FIAF CNc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587743010 MWLHWSBWKCRCTO-VOJFVSQTSA-N 363.274 4.428 0 1 FIAF CCCCOc1cc2nc(CCOCC3CC3)[nH]c2cc1Br 587784611 SIXBOCFSDFGDKP-UHFFFAOYSA-N 367.287 4.473 0 1 FIAF COCC[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587796436 SVEHQZGJFHROAL-ZUCKAHLUSA-N 356.279 4.154 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)C(=O)C2)N1 587824408 WAZXTOKNNVXNNT-BMLIUANNSA-N 354.263 4.097 0 1 FIAF COc1cc(C2(c3nc4cc(Br)ncc4[nH]3)CC2)ccc1C 587924709 BWXRYMNPIWMWFV-UHFFFAOYSA-N 358.239 4.117 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3cncc(Br)c3[nH]1)CC2 587937803 NWWUTMVWFYZBAG-NSHDSACASA-N 358.239 4.002 0 1 FIAF C=C(C(=O)O)c1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O 587943083 KXQLPNHTASAFFI-UHFFFAOYSA-N 372.204 4.080 0 1 FIAF N=c1[nH]c2nc(/C=C/c3ccccc3Oc3ccccc3)nc-2c(Cl)[nH]1 587949229 CCSJXCOVMAXXAC-ZHACJKMWSA-N 363.808 4.333 0 1 FIAF Cc1cccc([C@]2(CC(=O)C(F)(F)F)NCCc3cc(C)c(F)cc32)c1 962094459 SRQUVLLPQXGRGI-IBGZPJMESA-N 365.370 4.353 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cn(CCF)c2ccccc12 963634135 JQVDMMWKPAOXPH-FPTDNZKUSA-N 368.452 4.252 0 1 FIAF C[C@@H]1CN(C(=O)CC(C)(C)C)CCN1C(=S)Nc1ccc(Cl)cc1 1857534106 KZXFTMDMPCQZBE-CYBMUJFWSA-N 367.946 4.006 0 1 FIAF Clc1ccccc1CN1CCC(CNCc2ccc3c(c2)OCO3)CC1 1857603407 DPYPAWPQWZCYAC-UHFFFAOYSA-N 372.896 4.071 0 1 FIAF CC(C)=CCc1ccc([C@@H]2C(=O)O[C@H](Cc3ccc(O)cc3)[C@H]2C)cc1O 2356474131 DKONIHYALJLLSF-UJUVCNOISA-N 366.457 4.494 0 1 FIAF CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccccc3C)cccn12 61927425 ZKRARDHHCZZLBW-UHFFFAOYSA-N 367.449 4.377 0 3 FIAF Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)NC2CCCC2)cc1Cl 3049359 XKZPEKIZUVODBS-IBGZPJMESA-N 368.864 4.409 0 1 FIAF CC[C@@H]1CC[C@@H]2[C@H](CC[C@]3(C)[C@@H](OC(C)=O)CC[C@@H]23)[C@H]1COC(C)=O 5539482 KTPROZQWZVXYMH-LZZNHIFKSA-N 350.499 4.360 0 1 FIAF Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)CC2CCCC2)C3)nc1 12181958 RTLDBOSSQFXVNI-GOSISDBHSA-N 350.462 4.057 0 1 FIAF COC(=O)Cc1ccccc1Oc1c(Cl)cc(Cl)cc1NC(C)=O 26392322 FLPVJMSLJNQEBN-UHFFFAOYSA-N 368.216 4.460 0 1 FIAF C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@H]12 27524145 FXWZKNUSMJAEKJ-YDJOQWONSA-N 356.506 4.410 0 1 FIAF CCN(CC)CCN1C(=O)c2c(c3sccc3c3ccsc23)C1=O 29124425 NPMMHBWOZFPQER-UHFFFAOYSA-N 358.488 4.054 0 1 FIAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@@H](C2)[C@H]1[C@H](C)[C@@H](C)C(=O)C3 29221885 TXKQIJMFIKPRKR-NJHYRMQHSA-N 367.533 4.225 0 1 FIAF Cc1cc(Nc2nn(-c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)n[nH]1 34635262 AIHXCSFEMCZERD-UHFFFAOYSA-N 373.460 4.458 0 1 FIAF Cc1cccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c1C 34804120 GITAHVASPSHUFI-UHFFFAOYSA-N 356.381 4.194 0 1 FIAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1)c1ccco1 35259295 ZCWCUTAJPXUIDD-OAHLLOKOSA-N 374.713 4.040 0 1 FIAF Cn1c(-c2ccc(O)c(F)c2)nnc1C1(c2ccc(Cl)cc2)CCC1 38824230 IHADCYYSVVNWIT-UHFFFAOYSA-N 357.816 4.450 0 1 FIAF C[C@@]12C=C[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 40651268 USBAFPHMCLKQER-GBMIIZCJSA-N 352.474 4.226 0 1 FIAF Cn1c(-c2ccc(OCCN3CCCCC3)cc2)cc(=O)c2ccccc21 66112302 WCSOYFKIQXCDHS-UHFFFAOYSA-N 362.473 4.070 0 1 FIAF COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccccc3)ccc1O2 95580362 GOFHXNZNUWXPRS-QFIPXVFZSA-N 358.397 4.056 0 1 FIAF Cn1c(-c2c(Cl)cccc2Cl)nc2ccnc(NC(=O)C3CC3)c21 118749421 KWHKELQTXFZQSZ-UHFFFAOYSA-N 361.232 4.291 0 1 FIAF O=C(c1ccccc1)c1ccc(NC(=O)n2sc3ccccc3c2=O)cc1 169311132 BILYVLYAAGBKBS-UHFFFAOYSA-N 374.421 4.374 0 1 FIAF CCC[C@@]12CCN(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 254153256 WSCLPRQUHNBBNR-UNMCSNQZSA-N 365.477 4.447 0 1 FIAF Oc1cccc2c1OCC(c1nc3cc(F)c(C(F)(F)F)cc3[nH]1)=C2 586908214 MLWIFWZFEPFZLO-UHFFFAOYSA-N 350.271 4.359 0 1 FIAF COc1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2cc1OC 587138131 XASGAMJKVWWFAF-UHFFFAOYSA-N 365.202 4.457 0 1 FIAF COc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cn1 587149365 GMGCIHSZJMRLBN-LJQANCHMSA-N 367.355 4.413 0 1 FIAF Fc1cncc(Cl)c1Cc1nc2ccc(F)c(Br)c2[nH]1 587176132 ONBBJYZUJFJGAA-UHFFFAOYSA-N 358.573 4.243 0 1 FIAF COc1ccc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(Cl)nc2c1 587379836 LIBOWHSUSSKNIE-SFHVURJKSA-N 368.820 4.494 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC1CCCCC1)(c1ncccn1)O2 587393719 KPUSPHDZUJVCOI-NRFANRHFSA-N 351.450 4.198 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1CO[C@H]1CCCCO1)O2 587407570 CPZFSNHWSOYXKG-RTWAWAEBSA-N 367.445 4.327 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccn1Cc1ccccc1F)[C@@H](C2)C3=O 587425499 DLQISLAQECDONH-AOMKIAJQSA-N 363.388 4.173 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](O)c1ccccc1)[C@@H](C2)C3=O 587453304 YFJUUNDPXGQWSJ-IGKWTDBASA-N 372.420 4.072 0 1 FIAF C[C@@]1(c2cc(Cl)ccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545505 GWOOUAXLLJORJM-PXNSSMCTSA-N 367.788 4.318 0 1 FIAF Cc1cc(Cl)ncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553230 ULIUSTMGSXERTF-PXNSSMCTSA-N 367.788 4.452 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(O)cc1F 587557415 NIDYACUCAXTKQW-PXNSSMCTSA-N 370.307 4.079 0 1 FIAF C[C@@]1(c2c[nH]c3nccc-3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590216 RWSXNIYTYUVZHN-AVRDEDQJSA-N 372.380 4.097 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1ccccc12 587612133 UHTAKYIQMSLJNG-UGKGYDQZSA-N 360.365 4.032 0 1 FIAF Oc1c(Br)ccc2nc(COC/C=C/c3ccccc3)[nH]c12 587780784 IOXOSAQRNHASRK-QPJJXVBHSA-N 359.223 4.261 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)C(=O)C2)N1 587823279 OVMSWGPDTQGIIS-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF Cc1ccc(C)c(C[C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1 962659300 FCOGGPYXLJKJMU-QPPBQGQZSA-N 374.484 4.234 0 1 FIAF O=C(O)CCc1ccc(-c2cc(F)c3cnn(-c4ccccn4)c3c2)cc1 1772633238 LUWAFTMWTNSNCC-UHFFFAOYSA-N 361.376 4.244 0 1 FIAF Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3c(F)cccc32)cn1 1857543926 OOBDDPHQVVAAMG-UHFFFAOYSA-N 356.763 4.473 0 1 FIAF CCOC(=O)c1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)nc2c1 1857569286 XAHGTSUCGMHRTI-UHFFFAOYSA-N 350.296 4.305 0 1 FIAF C=CC1=CO[C@]23CC[C@H]1[C@@]2(C)CC[C@H]1[C@H]3CC[C@@]2(O)C[C@@H](O)CC[C@]12C 2356536425 KIRLHPHUEPKCDT-FKOZOROISA-N 358.522 4.344 0 1 FIAF Cc1cccc(OCc2nnc(SCC(=O)c3cccs3)n2C)c1C 902814 MRJMHSWLHWVYNV-UHFFFAOYSA-N 373.503 4.047 0 3 FIAF COc1ccc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)cn1 61930690 GIUBCEQZAYTNGF-INIZCTEOSA-N 366.364 4.012 0 3 FIAF NC(=O)c1c(Nc2ccccc2Cl)sc(C(=O)c2ccccc2)c1N 2962466 PEZBTCNNMXFYLC-UHFFFAOYSA-N 371.849 4.057 0 1 FIAF CCOc1ccc2c(c1)N=C(c1ccc(OC)cc1)N=C(c1ccncc1)N2 6743737 IGYYWZUPFPRXMS-UHFFFAOYSA-N 372.428 4.440 0 1 FIAF O=S(=O)(Nc1cc(F)ccc1F)c1ccc2[nH]c3c(c2c1)CCCC3 6929276 PLKDQMBCASQVJI-UHFFFAOYSA-N 362.401 4.126 0 1 FIAF CCC[C@H]1Oc2ccc(Oc3ccccc3)cc2C=C1CN(O)C(N)=O 13833888 ARCXCEDIOSEFIK-GOSISDBHSA-N 354.406 4.193 0 1 FIAF Cc1n[nH]c2c1[C@@H](c1ccc(N(C)C)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 18205531 LNJMWGJUEHFBOY-RTBURBONSA-N 350.466 4.007 0 1 FIAF Fc1ccc(-c2cccc(N3CCC(NC[C@H]4CCCO4)CC3)c2)cc1 19836084 HQDXBWPPUNFIQI-JOCHJYFZSA-N 354.469 4.230 0 1 FIAF Cc1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(N)c34)cc2)c1 29129656 KGUZGIVOTPTLDW-UHFFFAOYSA-N 358.405 4.160 0 1 FIAF Cc1[nH]cnc1C1CCN(c2ncnc(Cl)c2-c2ccccc2)CC1 36176481 NISHIGIRWIWAAM-UHFFFAOYSA-N 353.857 4.213 0 1 FIAF CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1 49112470 MZSFZQSYRHNECT-UHFFFAOYSA-N 364.533 4.441 0 1 FIAF COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cc(Cl)cc(Cl)c1 64527268 HKKGWGGWCLEEGR-SNAWJCMRSA-N 368.172 4.469 0 1 FIAF CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(SC)ccc2c1=O 95557352 ATSQLHULNNEHFB-UHFFFAOYSA-N 369.442 4.102 0 1 FIAF COC(=O)[C@H](OC)c1cccc(COc2ccc(Cl)cc2Cl)c1 103181591 FPEMBXBUFQZMPH-MRXNPFEDSA-N 355.217 4.433 0 1 FIAF COc1ccc(-c2nc3cc(-c4cc(C(=O)O)cs4)cnc3[nH]2)cc1 103248097 NKTGILZAOLEZPR-UHFFFAOYSA-N 351.387 4.060 0 1 FIAF CSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccncc1 103671530 PGAZLOHEEMRMOG-ZDUSSCGKSA-N 367.478 4.026 0 1 FIAF Cc1ccc(-n2cnnc2SCc2nc3c(C)ccnc3[nH]2)cc1Cl 130074342 AEYTWIMQMHEMTA-UHFFFAOYSA-N 370.869 4.101 0 1 FIAF O=C1O[C@@H](c2ccccc2Cl)CN1c1cccc(OC2CCNCC2)c1 169347322 FKMROTXMCRSJED-LJQANCHMSA-N 372.852 4.169 0 1 FIAF CC(=O)O[C@H]1/C=C(/C)CC/C=C(/C)[C@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169364163 CLLDSYFHQCFUQA-XGQXLVOYSA-N 364.526 4.325 0 1 FIAF O=C(O)c1n[nH]c2cc(Cl)c(-c3ccc(C4CCOCC4)cc3)cc12 219345907 JFBCVPSHAPPQOM-UHFFFAOYSA-N 356.809 4.476 0 1 FIAF O=C(N[C@@H]1CCc2cc(Cl)cc(Cl)c21)[C@@H]1CCOc2ncsc21 223965741 OLPOMNJRPMMVAZ-ZYHUDNBSSA-N 369.273 4.120 0 1 FIAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586988644 UMTYHNZNBSOWLB-UHFFFAOYSA-N 354.365 4.222 0 1 FIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 587043471 RDBQOGCNSJFBOZ-VIFPVBQESA-N 359.829 4.115 0 1 FIAF CCS(=O)(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073311 FXOMTQUCDHFSBD-UHFFFAOYSA-N 374.893 4.284 0 1 FIAF NC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587095445 ZCNUBGVVBGAECI-UHFFFAOYSA-N 373.256 4.366 0 1 FIAF O=C(O)c1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587196625 UHVMITZKCIJUQC-UHFFFAOYSA-N 357.413 4.468 0 1 FIAF CC1(C)C[C@]2(CC[C@@H]1O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352638 LMQXNOLOBCDKGS-JQVVWYNYSA-N 370.420 4.200 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1OC(F)(F)F)O2 587382278 LESHLPLFXOJVAU-QGZVFWFLSA-N 351.324 4.356 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C=O)cc3)nc1)O2 587394284 SUIDOQAUDFQUQO-OAQYLSRUSA-N 358.397 4.158 0 1 FIAF Cc1cc(C)cc([C@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587395851 VAVGXHOBAXJUMF-HSZRJFAPSA-N 358.441 4.498 0 1 FIAF CC(=O)N(C(C)=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626243 RBCFVGSBAJVOJI-UHFFFAOYSA-N 366.261 4.413 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccsc32)N1 587853669 AUASSJSWLDWLSF-JDNHERCYSA-N 352.272 4.374 0 1 FIAF COc1cc(O)cc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)c1 587932070 KHPJSENZAJCQTJ-UHFFFAOYSA-N 360.369 4.340 0 1 FIAF O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1c1cccs1 653681815 XOEWAGGFKMWDPJ-KRWDZBQOSA-N 351.427 4.494 0 1 FIAF Cc1cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c(C)n1C 962645881 YRYAUWBWELEEOZ-RDGATRHJSA-N 371.528 4.478 0 1 FIAF COc1ccc(N(C)c2nccc(-c3cn(C)c4ccccc34)n2)c(OC)c1 1857643778 KQHCXGLWFJERPN-UHFFFAOYSA-N 374.444 4.420 0 1 FIAF Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(NC(=N)N)n1 1857768200 PZFICURRPHILMM-UHFFFAOYSA-N 366.494 4.178 0 1 FIAF CCCCC=CC=CC=CCCCCCCCC(=O)OC[C@H](O)CO 2356747448 WABDDVFNZRATDQ-HXUWFJFHSA-N 352.515 4.472 0 1 FIAF CCC[C@H](O)CC(=O)CCc1ccc(O)c(OCCCc2ccccc2)c1 2356774670 BAPNGZFOSZLAID-FQEVSTJZSA-N 370.489 4.457 0 1 FIAF CCOc1ccccc1NC(=O)CSc1c[nH]c2cc(OC)ccc12 2382226241 JNYUSUUUSIGKDM-UHFFFAOYSA-N 356.447 4.306 0 1 FIAF CC(=O)c1cc2c(N)c(C(=O)Nc3cccc(F)c3C)sc2nc1C 2382235450 HUKIXVPCNFGMAB-UHFFFAOYSA-N 357.410 4.089 0 1 FIAF CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)NCCO 2483774 MXKVVJNHKGXCGB-UHFFFAOYSA-N 364.445 4.028 0 1 FIAF COc1cccc2c1CC[C@H](CCN1CCN(c3ccccc3)CC1)C2 13760541 YSEIEOUPJDUMFS-LJQANCHMSA-N 350.506 4.012 0 1 FIAF Nc1nc(Nc2cccc(Br)c2)c2c(n1)[nH]c1ccccc12 13803524 NOUNTOCKLNSANP-UHFFFAOYSA-N 354.211 4.199 0 1 FIAF CN1CC=C(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)[C@H](F)C1 34806262 NVDMKYLBUHWKOC-MRXNPFEDSA-N 354.454 4.334 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCN(Cc2ccc3ccccc3c2)CC1 38208820 CWISUMPTJOGLIV-UHFFFAOYSA-N 363.436 4.329 0 1 FIAF CN(C)c1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 45484772 CDOVSMNDRWHJOO-UHFFFAOYSA-N 358.401 4.208 0 1 FIAF COc1cccc(Nc2nnc([C@@H](O)c3ccc(SC)cc3)s2)c1 82078197 NWJXPQFHEPXYRC-HNNXBMFYSA-N 359.476 4.094 0 1 FIAF Cc1c(-c2ccc(Br)cc2)nsc1NC(=O)[C@@H]1C[C@H]1C 84603002 ZSBBASZUYKREPU-PRHODGIISA-N 351.269 4.476 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]2C[C@@H]3[C@@H]4C[C@@]21C[C@]43C 101668697 GTVZKXBUEWHMES-SEWIGPOPSA-N 360.494 4.272 0 1 FIAF CCCNC(=O)[C@@H]1c2ccccc2C(=O)N1C[C@@H](C)c1ccc(Cl)cc1 143965474 ORTPWEWMSRZRJZ-KUHUBIRLSA-N 370.880 4.167 0 1 FIAF C[C@@]1(c2cc(Nc3ncccc3Cl)ccc2F)CCSC(N)=N1 169334550 BIOUZBMWTGHMJN-INIZCTEOSA-N 350.850 4.285 0 1 FIAF C[C@H](CF)OC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N(C)C2 253714317 ZSLWUVZDXDAKIP-MYWGYQQTSA-N 353.865 4.055 0 1 FIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3ncccc3c2[nH]1 587114378 SQOWZGOISBECRT-AWEZNQCLSA-N 356.351 4.372 0 1 FIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587149086 GIQIAIONICNFKA-SNVBAGLBSA-N 358.323 4.306 0 1 FIAF CC[C@H](Oc1ccccc1F)c1nc2cncc(Br)c2[nH]1 587155037 IMJQEBBDENRJER-LBPRGKRZSA-N 350.191 4.390 0 1 FIAF Cc1cnc2[nH]c(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)nc2c1 587241006 UTFWCXBRVNKLHP-UHFFFAOYSA-N 372.428 4.129 0 1 FIAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(C(N)=O)c3[nH]2)c1 587241563 WDOVRXFUQMFWOX-UHFFFAOYSA-N 371.444 4.271 0 1 FIAF C[C@@]1(c2cncc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340688 YULRHEQEBMJNBU-CTNGQTDRSA-N 367.351 4.340 0 1 FIAF CCCCC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354682 OSUMUXKUJQOTQA-FPOVZHCZSA-N 356.393 4.408 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](C)c1cccc(Br)c1)O2 587378931 WYJNLKZNBAKYSN-APPDUMDISA-N 360.251 4.477 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](OCc3ccccc3)C1(C)C)O2 587404650 YKCRKYNFIZVGJD-UGKGYDQZSA-N 351.446 4.297 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(O)[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O 587420019 GHBXIEQGUUOWLJ-SGTLLEGYSA-N 355.777 4.024 0 1 FIAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CCC[C@H]1CN(C(C)C)C2 587488673 RLCXDDDQUNRXKU-HOTGVXAUSA-N 357.494 4.189 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cccs1)CC2=O 587495750 SPXHITYDRWTWPP-IBGZPJMESA-N 360.431 4.132 0 1 FIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)c(Cl)cc12 587510820 WZWRQMFTQUUZMQ-FQEVSTJZSA-N 371.795 4.171 0 1 FIAF C[C@@]1([C@@H]2Cc3ccccc3C(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587530472 CFILIUMPEAMMNY-REWPJTCUSA-N 362.425 4.071 0 1 FIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(Br)cc1 587649645 RRGVLLUWWNUBCK-UHFFFAOYSA-N 364.264 4.309 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c3ncccc23)N1 587759498 UGJSDFDMLAUJNR-BMLIUANNSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(C)(C)C(=O)O)N1 587831262 WULPEKNGCVHRFE-BTDLBPIBSA-N 372.278 4.229 0 1 FIAF CC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587850505 ZDYYZBBVPYSEBG-PWJLMRLQSA-N 368.271 4.476 0 1 FIAF CC1(C)CCC(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 587963568 OQWVMSQHJQFVQC-UHFFFAOYSA-N 365.481 4.381 0 1 FIAF CCCc1cccc2c(-c3cnc(-c4ccc(C(=O)O)nc4)s3)n[nH]c12 653784948 BNCUFRNKLJOHOZ-UHFFFAOYSA-N 364.430 4.399 0 1 FIAF COc1cc2c(cc1C(C)=O)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C 653785020 UOJAKYGTEIZJMA-JAXLGGSGSA-N 358.478 4.470 0 1 FIAF CCOC(=O)C1([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)CCCC1 963103914 GZVHIAKRNZYHLE-QGZVFWFLSA-N 356.293 4.478 0 1 FIAF NC(=O)c1c(F)ccc(OCCCCCCn2cnc3ccccc32)c1F 1772623989 JXRCIZJHMJOXQY-UHFFFAOYSA-N 373.403 4.053 0 1 FIAF COc1ccc(-c2cc(O)nc(-c3ccc(OC)cc3OC)c2)c(OC)c1 1857550507 AABVQDHPJSLEBD-UHFFFAOYSA-N 367.401 4.156 0 1 FIAF CC(C)=CCc1cc(/C=C/C(=O)O)cc(C(=O)NCCc2ccccc2)c1 1857573769 SQICJHHIIRGRSA-ZHACJKMWSA-N 363.457 4.266 0 1 FIAF CC(C)c1ccc([C@H]2CC(COc3ccc(F)c(C(N)=O)c3F)=NO2)cc1 2382242729 JNMHPHWRNNMGPJ-QGZVFWFLSA-N 374.387 4.084 0 1 FIAF Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2cccs2)c1C 12586588 WEFAONPHSNHNKH-MRXNPFEDSA-N 351.475 4.358 0 3 FIAF COc1ccccc1CNC(=O)[C@@]1(C)CCN1Cc1ccc2ccccc2c1 61897609 FGGPJDWGDAPZER-XMMPIXPASA-N 374.484 4.129 0 3 FIAF CC[C@@H](c1nc2ccccc2[nH]1)n1c(-c2cnccn2)nc2ccccc21 95567281 DTNLNZVHHPUDCV-SFHVURJKSA-N 354.417 4.369 0 3 FIAF CN(C)C(=O)c1ccc(-c2nc(Nc3ccncc3)c3ccccc3n2)cc1 4258505 KLZGRCRZGBAWII-UHFFFAOYSA-N 369.428 4.137 0 1 FIAF O=C(Oc1cc(O)c2c(c1)O[C@H](c1ccccc1)CC2=O)c1ccccc1 13322046 FQYXLHNQZRKBPK-IBGZPJMESA-N 360.365 4.318 0 1 FIAF biogenic CN1CCN(CCCCOc2ccccc2/C=C/c2ccccc2F)CC1 27726025 HERCREJRFBCMAE-OUKQBFOZSA-N 368.496 4.403 0 1 FIAF COc1ccc(-c2nc([S@@](=O)C(C)C)[nH]c2-c2ccc(OC)cc2)cc1 28219518 GARCUJBNOOFLRQ-AREMUKBSSA-N 370.474 4.277 0 1 FIAF CN(CCN(C)c1nc2ccccc2s1)c1nc2ccccc2s1 28903422 LYZBPIIKNUGENU-UHFFFAOYSA-N 354.504 4.479 0 1 FIAF CN(C(=O)Cc1csc2ccccc12)[C@@H]1CCCC[C@H]1N1CCCC1 29346808 OTBFQANQBWTTFR-RTBURBONSA-N 356.535 4.309 0 1 FIAF COc1cc(N[C@@H](C)CCCNC(=O)NC2CCCC2)c2ncccc2c1 40848096 HBQMVULINFGGEK-HNNXBMFYSA-N 370.497 4.066 0 1 FIAF C[C@@H](Cn1ncc2c(NCc3ccccc3F)ncnc21)c1ccccc1 72123532 ISWIFNASJWYINB-HNNXBMFYSA-N 361.424 4.381 0 1 FIAF CCN(C)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1 82141358 VLTYQDLXGFMJTF-UHFFFAOYSA-N 356.445 4.119 0 1 FIAF C[C@H](C(=O)NCc1ccc(CN)cc1)c1ccc(-c2ccccc2)c(F)c1 95585708 FHYZRKQSKXWLMZ-INIZCTEOSA-N 362.448 4.371 0 1 FIAF c1ccc(-c2cnn3c2nc(NCCCc2ncc[nH]2)c2ccccc23)cc1 96933151 VOHBZHINRHDHJL-UHFFFAOYSA-N 368.444 4.317 0 1 FIAF CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc(O)c2)C2=C(O)CCCC2=N1 103539868 LQAHAEZEWZIHKX-HXUWFJFHSA-N 366.461 4.213 0 1 FIAF O=C1NCCc2nc(-c3ccccc3)cc(Nc3cccc4ncccc34)c21 116991082 KZRSALSNMARGNI-UHFFFAOYSA-N 366.424 4.326 0 1 FIAF CC[C@@H](C)CNCC(=O)N1CCc2sccc2[C@@H]1c1cccc(C)c1 149069434 WELBRTWQUYGMIQ-VFNWGFHPSA-N 356.535 4.166 0 1 FIAF C[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)C1(C)CC1 167017668 PWYXPDSKZHIDIQ-OAHLLOKOSA-N 363.461 4.153 0 1 FIAF Cc1c(/C=C/CCNC(=O)OC(C)(C)C)c(O)c2c(O)cccc2c1O 169716721 UPBNPTYBDROYTL-VMPITWQZSA-N 359.422 4.193 0 1 FIAF COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc(O)cs2)cc1 169726285 OGPAGXJNVYIHNJ-QGZVFWFLSA-N 369.421 4.352 0 1 FIAF CC(C)CCOc1cc(C(F)(F)F)ccc1C(=O)Nc1cc[nH]c(=O)c1 221079137 KICOFBPOACPQPG-UHFFFAOYSA-N 368.355 4.071 0 1 FIAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@@]12C 238757164 WUDCXBJIWCDVSH-BYJHMNIDSA-N 364.526 4.016 0 1 FIAF COc1ccc(C[C@H](C)[C@H](C)Cc2cc(O)c(OC)c(O)c2)cc1OC 238760152 PUBWXEQTXGPOAK-UONOGXRCSA-N 360.450 4.181 0 1 FIAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](CC[C@@]52C)[C@H]63)CC[C@@H]41 238769041 ULBUZQCZJCHRBN-OMOJXAESSA-N 355.522 4.033 0 1 FIAF COc1ccc2c(c1)SCc1c[nH]c(=NCc3ccc(Cl)cc3)nc1-2 473145367 RRSMLFWTXMTHIJ-UHFFFAOYSA-N 369.877 4.445 0 1 FIAF CC1=C(c2ccc3[nH]c(-c4ccc(C5CCC5)cc4)nc3c2)NNC(=O)C1 586883022 FHRQEAWBWCTYBY-UHFFFAOYSA-N 358.445 4.253 0 1 FIAF COC(=O)c1cc2[nH]c(CSc3ccc(C)cc3C)nc2cc1OC 586965434 WPIDVQZTNXHCFR-UHFFFAOYSA-N 356.447 4.267 0 1 FIAF Clc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2n1 587012435 JKFLXYSOHDXCJG-UHFFFAOYSA-N 355.648 4.375 0 1 FIAF Oc1nc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cs1 587018073 SJOBFQVELHRLJN-UHFFFAOYSA-N 364.146 4.173 0 1 FIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2c(Cl)ccnc2[nH]1 587120529 MYJVNGPYRRPSOI-UHFFFAOYSA-N 355.629 4.039 0 1 FIAF O=C(c1nc2c(C(=O)O)cc(F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133203 LYTKPHGJXUTGFD-UHFFFAOYSA-N 371.126 4.077 0 1 FIAF N=C(N)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587149901 OGCCPEOZWGEQFK-LJQANCHMSA-N 359.408 4.188 0 1 FIAF Fc1ccc(I)cc1-c1nc2ccnc(Cl)c2[nH]1 587182700 OSOHBMXMMSDAMY-UHFFFAOYSA-N 373.556 4.022 0 1 FIAF C[C@]1(c2cccnc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340791 VXIULXURACFUDD-WIYYLYMNSA-N 367.351 4.340 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccnc1Br)O2 587371437 FKVWFMUTRGGFKG-LBPRGKRZSA-N 367.630 4.095 0 1 FIAF C[C@]1(c2sccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372120 DVCIUQCXCIHKML-PXNSSMCTSA-N 369.417 4.449 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)cc1F)O2 587386200 UFNAAGJZBYISAW-HXUWFJFHSA-N 354.425 4.413 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1c[nH]c3ccccc13)O2 587396355 JQELQXWFJSGKKO-HSZRJFAPSA-N 369.424 4.363 0 1 FIAF CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587409519 WIMXGYLEEHWXFL-BHMZUOEMSA-N 357.450 4.138 0 1 FIAF COc1ccc2c(c1)CCCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444921 XIGNYGISNOMBGV-GCJKJVERSA-N 350.414 4.073 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)F)c(O)c1)CC2=O 587468600 YOIXQMNZXHMVLR-QGZVFWFLSA-N 364.344 4.358 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(C1CCOCC1)CC2=O 587492831 XTRCRIHQMDKCKP-QFIPXVFZSA-N 367.445 4.027 0 1 FIAF CC(=O)Nc1cccc2c1[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587513336 RKNDROGBGAMJEB-HSZRJFAPSA-N 361.441 4.331 0 1 FIAF O=C1C[C@H](CC2CCC3(CC2)OCCO3)Oc2c1ccc1c2CCCC1 587536243 SREZCGQBUZKDJR-KRWDZBQOSA-N 356.462 4.223 0 1 FIAF C[C@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551071 CSFAHTLPAZHOMR-YLJYHZDGSA-N 367.788 4.318 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Cl 587553721 VJPCTNAHQQNYIV-CRAIPNDOSA-N 353.761 4.144 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3c[nH]cc32)N1 587792635 PSADSQYTBMVFAP-ZMZPIMSZSA-N 363.274 4.421 0 1 FIAF CCCC[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587800807 ZMYNFPZLXDLQCK-DIFFPNOSSA-N 372.278 4.071 0 1 FIAF C[C@]1(Cc2c(Cl)cccc2Cl)c2ccsc2CCN1C(N)=O 962718007 YDYBFYGDXKIICP-INIZCTEOSA-N 355.290 4.450 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC(C)=O)(C(F)(F)C(F)(F)F)N1 962945073 IUAXGMKZIWNQGT-BDJLRTHQSA-N 374.353 4.464 0 1 FIAF COc1ccc(O)cc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772647828 UPVZSZFSNLQCDU-MRXNPFEDSA-N 355.415 4.131 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1C(C)(C)[C@@H](O)CC[C@]12C 2356599642 HKWVZPQQUZNBOF-DTXWBZGDSA-N 350.499 4.011 0 1 FIAF CCN(CC)C(=O)CN(Cc1ccc(OC)cc1)c1cc(C)cc(C)c1 2382229918 IYQFSHZADKHEHR-UHFFFAOYSA-N 354.494 4.187 0 1 FIAF CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(C)c(C(C)=O)s3)o2)cc1 3357133 NKVDTFBALLSIHU-UHFFFAOYSA-N 368.414 4.369 0 3 FIAF CCCCC/C=C1/C[C@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O 6004483 SJBCBDAKOWZLGU-OIOSCTRGSA-N 368.514 4.033 0 1 FIAF CCOC(=O)C1(CC2CC2)CCN(Cc2ccc3ccccc3n2)CC1 12318121 VMAAVKCOILVRFY-UHFFFAOYSA-N 352.478 4.180 0 1 FIAF O=C(c1ncc(-c2ccccn2)o1)[C@H](O)CCCCCc1ccccc1 14980095 YYGNRTYZROVQPW-GOSISDBHSA-N 350.418 4.083 0 1 FIAF O=C(O)[C@@H]1Cc2c(c(Cl)c(Cl)c3nc(-c4ccccc4)oc23)O1 26647737 HITNACNUGCINNG-VIFPVBQESA-N 350.157 4.190 0 1 FIAF C[C@H]1CN(c2cccc([C@H](C)NC(=O)/C=C/c3ccccc3)c2)C[C@@H](C)O1 26733585 HEGKZKAFNJXIBL-BATDUODBSA-N 364.489 4.191 0 1 FIAF O=C(OC[C@H]1CCCN(CCCc2ccccc2)C1)c1ccccc1F 27201684 DQHZQQORLJPWBW-IBGZPJMESA-N 355.453 4.327 0 1 FIAF O=C(NCC1CC1)c1cc(Cl)c(OCc2cccc(Cl)c2)cn1 40934996 OXRNAWNUYWFGNC-UHFFFAOYSA-N 351.233 4.107 0 1 FIAF Cc1nn(-c2ccccc2C(N)=O)c2cc(N[C@@H](C)c3ccccc3)ncc12 40975602 SCUZVWQBCHURMN-AWEZNQCLSA-N 371.444 4.001 0 1 FIAF Cc1nc(Nc2c(C)cc(Cl)cc2Cl)c(=O)n([C@@H](C)C2CC2)n1 49035888 WRBVRSQZIWSSGT-VIFPVBQESA-N 353.253 4.277 0 1 FIAF COc1ccc2c(c1)cc(-c1ccccc1)n2Cc1cccc(C(=O)O)n1 68267997 MNXIPDOVKILDRF-UHFFFAOYSA-N 358.397 4.458 0 1 FIAF O=C1CCc2cc([C@H](c3ccc(F)cc3)c3cccnc3)cc3c2N1CC3 95594926 XHJSBSUZQWMMHG-JOCHJYFZSA-N 358.416 4.236 0 1 FIAF C[C@@H]1Oc2ccc(CN3CC=C(c4ccc(Cl)cc4)CC3)cc2NC1=O 95920589 UXKGKMDPTXLNNA-AWEZNQCLSA-N 368.864 4.349 0 1 FIAF in-vitro O=C1NC(=O)/C(=C/c2ccc(OC[C@H]3C[C@H]4CC[C@@H]3C4)c(Cl)c2)S1 96282285 KEBLMCRLTPTWEZ-FLPPIAJYSA-N 363.866 4.479 0 1 FIAF O=C(NCc1c[nH]c2ccccc12)N1[C@H]2CC[C@@H](C2)[C@@H]1Cc1ccccc1 100888591 UENKSTZFYXQHBC-JLMWRMLUSA-N 359.473 4.473 0 1 FIAF COc1cc2cncc(Cc3coc4ccc(C)cc4c3=O)c2cc1OC 584636027 DCHGOWLAIOAFGR-UHFFFAOYSA-N 361.397 4.258 0 1 FIAF Cc1c(Br)cnc2[nH]c(-c3ccc4c(c3O)CCCC4)nc12 586899343 YPLMTHQVDDGALT-UHFFFAOYSA-N 358.239 4.280 0 1 FIAF CC(C)(SCC(=O)O)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586958336 BJVHCZYNCRPTNR-UHFFFAOYSA-N 356.447 4.195 0 1 FIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587069395 JPJWWQBTGDRDPH-MRVPVSSYSA-N 368.746 4.353 0 1 FIAF FC(F)(F)CCc1ocnc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587092016 LCHSOZCBXVTWJT-UHFFFAOYSA-N 351.115 4.415 0 1 FIAF CCCCNS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587216784 MGOIIVDVNUESBN-UHFFFAOYSA-N 366.486 4.079 0 1 FIAF COC[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587380170 BXGRTLRCTKAZFQ-GOSISDBHSA-N 365.351 4.103 0 1 FIAF O=C1C[C@]2(CCCCC[C@@H]2Cn2cncn2)Oc2c1ccc1c2CCCC1 587516627 DLPZJILNEHBPSG-VGSWGCGISA-N 365.477 4.141 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=COc1ccccc12 587608733 LQQOCSAITPPLHN-SIKLNZKXSA-N 358.349 4.155 0 1 FIAF CC1(C)C[C@]2(C)O[C@@H]2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587609549 NJMDFHKUHXJPSM-XEHJXZTKSA-N 366.413 4.070 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCCO2 587611471 ROIKYHIHGFZDRI-NZQKXSOJSA-N 374.392 4.420 0 1 FIAF CCn1cc(Cl)c(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)OC)n1 587624733 TYWUGEDWRGINGJ-UHFFFAOYSA-N 352.221 4.453 0 1 FIAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2Cn2cncn2)cc1 587631987 OMFUNSSVARLTQZ-UHFFFAOYSA-N 356.788 4.276 0 1 FIAF COc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587808942 OTLQELOFDWWLLV-VOJFVSQTSA-N 364.258 4.395 0 1 FIAF CCC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 587834290 KQCUQHVFLVRHMY-BZNIZROVSA-N 356.279 4.370 0 1 FIAF COc1ccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc1F 587874427 ZXBNQFZQVGSYBP-UHFFFAOYSA-N 359.357 4.188 0 1 FIAF Cc1ccc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c(C)c1 1857612032 ULTZLEAEPXMGHB-DEOSSOPVSA-N 369.468 4.210 0 1 FIAF Fc1ccc2c(c1)CC[C@@H](c1nnc(-c3cc(F)c(F)c(F)c3F)o1)O2 1911576416 RVMOAVZBGBFMMX-LBPRGKRZSA-N 368.261 4.498 0 1 FIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356560673 ARNLHXDQNOMBKB-NAVIBDNMSA-N 359.554 4.055 0 1 FIAF CC(=CCCC1=C[C@@H](O)OC1=O)CCC=C(C)CCC[C@H](C)C(=O)O 2356788872 CPMWPGTWVFIEII-WMZOPIPTSA-N 350.455 4.132 0 1 FIAF CCOC(=O)c1ccc(-c2cnoc2-c2cc(CC)c(OC)cc2O)o1 1504570 ZGGJPQCKPPGZON-UHFFFAOYSA-N 357.362 4.055 0 1 FIAF Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccccc2Cl)c(C)c1 2501377 BUMWGYJTKASUJH-QGZVFWFLSA-N 367.923 4.393 0 1 FIAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2Cc1ccccc1Cl 6917812 GOCVWRRVZBFVMK-UHFFFAOYSA-N 363.848 4.412 0 1 FIAF Nc1ccccc1NC(=O)/C=C/c1ccc(NCCCc2ccccc2)nc1 36338678 PIJUUVKCHQHHIX-FYWRMAATSA-N 372.472 4.360 0 1 FIAF O=C(Nc1cc(Cl)ccc1O)c1ccc(CNc2ccncc2)cc1 40899522 IXKFGKFMWMWETP-UHFFFAOYSA-N 353.809 4.305 0 1 FIAF COc1ccc(Cc2nccc3cc(OC)c(OCCF)cc23)cc1C 72105056 NIRFXGPBZRGWKG-UHFFFAOYSA-N 355.409 4.500 0 1 FIAF Cc1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1C 95592943 XGSWZLFJJSMWPI-UHFFFAOYSA-N 374.404 4.406 0 1 FIAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(C2CC2)c1)O3 96269842 MURYVBCFTSNION-FOIQADDNSA-N 352.386 4.027 0 1 FIAF COc1ccc(-c2csc(N)c2C(=O)Oc2ccccc2)cc1OC 96929330 BVWDQHVWMQABBJ-UHFFFAOYSA-N 355.415 4.234 0 1 FIAF CC1(C)[C@H]2CC[C@@]1(CC(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 100043747 QZKDOLFDPNDPMR-MHECFPHRSA-N 363.501 4.359 0 1 FIAF Clc1ccc2c(c1)cc(-c1nc3cc(Cl)ccc3[nH]1)c1nnnn12 103221798 RKAFRQGLWMENPP-UHFFFAOYSA-N 355.188 4.128 0 1 FIAF COc1ccc([C@H]2COc3cc(OCCCC(C)(C)O)ccc3C2)cc1 103292464 SLVGQGBLIOTPEV-GOSISDBHSA-N 356.462 4.344 0 1 FIAF CC(C)(C)c1ccc(Nc2ncnc3c2CN(Cc2ccccc2)CC3)cn1 146901076 XWTPEMZDDIDBHV-UHFFFAOYSA-N 373.504 4.471 0 1 FIAF CN1C[C@@](O)(c2ccc3c(c2)Nc2ccccc2S3)O[C@@H]2CCCC[C@@H]21 169307087 RKNYLNHGFOONQP-UEXGIBASSA-N 368.502 4.313 0 1 FIAF O=C(N[C@@H]1CCOc2ncccc21)C1(c2ccc(F)cc2Cl)CCCC1 206043517 OWOMBSIPNSTXAD-QGZVFWFLSA-N 374.843 4.326 0 1 FIAF Cc1cc(Br)ccc1OCc1nc2c(Cl)ccnc2[nH]1 586981013 JHDOIZOMNSXTQN-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3ncc(Cl)cc3[nH]2)s1 587022971 GWNXKEQRABJGIW-UHFFFAOYSA-N 351.819 4.082 0 1 FIAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587049325 GTBVDRIIFREVLC-UHFFFAOYSA-N 354.719 4.256 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc12 587081728 ZHJVRVGATUKDQX-SNVBAGLBSA-N 368.593 4.189 0 1 FIAF Cc1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587117386 CQJGOWSWMIPIIO-UHFFFAOYSA-N 373.176 4.092 0 1 FIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cccc(F)c2[nH]1 587258696 QXVFVEAZQQQXNK-KRWDZBQOSA-N 362.408 4.274 0 1 FIAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)no1 587348926 SNHHQEUQIAFGFB-QUCCMNQESA-N 353.349 4.102 0 1 FIAF CCOc1c(Cl)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587375383 LTTNOUOFHKDNBI-INIZCTEOSA-N 361.825 4.344 0 1 FIAF CSC(=C[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1)SC 587408066 DMXHNEAHBFPXFY-IBGZPJMESA-N 372.515 4.400 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cc1N1CCCC1)[C@@H](C2)C3=O 587425970 JAWCUPQWYBEMGU-JTSKRJEESA-N 367.420 4.097 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)ccn1)CC2=O 587464746 XFWFXWYMKNFHMV-INIZCTEOSA-N 351.324 4.465 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC(C)=O)c1)CC2=O 587482174 SGTGERSUOFTKON-OAQYLSRUSA-N 354.402 4.151 0 1 FIAF O=C1C[C@@H](c2nccn2CC(F)(F)F)Oc2c1ccc1c2CCCC1 587499762 MUDFDLWXFMWFJR-HNNXBMFYSA-N 350.340 4.031 0 1 FIAF O=C1C[C@H](c2nccn2CC(F)(F)F)Oc2c1ccc1c2CCCC1 587499763 MUDFDLWXFMWFJR-OAHLLOKOSA-N 350.340 4.031 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc(F)c1F 587559442 XLOWCFLIKIKRQE-OXQOHEQNSA-N 370.307 4.079 0 1 FIAF C[C@@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573716 XBAVHDVUCLLPIM-KNQAVFIVSA-N 364.372 4.494 0 1 FIAF C[C@@]1(c2ccc3[nH]ncc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598008 XFZVFNWDNVEJDU-KNQAVFIVSA-N 372.380 4.146 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c(O)cccc12 587611365 SNWOYVVGUZOFIX-NFBKMPQASA-N 374.392 4.291 0 1 FIAF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H](NC(=O)OC(C)(C)C)C(=O)O 587624795 RRQSLBFQVBDGQY-AWEZNQCLSA-N 352.818 4.089 0 1 FIAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1c(F)cccc1F 587629050 DPHJOEFKHOCKTM-UHFFFAOYSA-N 367.710 4.256 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(O)ccc2F)N1 587720702 UABKIELSWNIKLZ-XLFHBGCDSA-N 368.221 4.231 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)c(F)c2)N1 587725579 FCYNSHYUEFRRLV-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2cnn3C)N1 587760965 RKBVHYFIKIRYGH-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF Cc1nn(C(C)C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587763910 NILZVQXMJWLTRC-BMLIUANNSA-N 366.278 4.298 0 1 FIAF COCc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587803845 YAXMJMLAMRYFHT-ADLMAVQZSA-N 364.258 4.358 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]41)[C@@H]2[C@@H]53 587827368 KVAWFNORIYSZCN-NNEMRPRBSA-N 374.297 4.096 0 1 FIAF Brc1nccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587951507 WUTYWZWXAXOXFO-UHFFFAOYSA-N 362.271 4.206 0 1 FIAF Cc1c(F)ccc2c1[C@H]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)NCC2 962089028 FNHVMWZNCHKXOX-CRFBAAHOSA-N 362.489 4.357 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1ccc(N3CCCC3)s1)N(C)[C@@H](C)C2 962571944 PHQWBSXEPVWRPZ-QKKBWIMNSA-N 372.534 4.331 0 1 FIAF COc1ccc([C@@]2(Cc3ccc(F)cc3)NCCc3c(C)ccnc32)cc1 963070920 HZGMEXBXIHNVDK-HSZRJFAPSA-N 362.448 4.170 0 1 FIAF Cc1nn2c(=O)cc(Cc3ccsc3)[nH]c2c1-c1ccc(Cl)cc1 1772639238 TUFZEVSICIKOHH-UHFFFAOYSA-N 355.850 4.304 0 1 FIAF Cc1cc(C)nc(SCC(=O)Nc2ccc(Cc3ccccc3)cc2)n1 1772656662 OPGZQFLWPSXSHT-UHFFFAOYSA-N 363.486 4.415 0 1 FIAF COC(=O)CCCCc1cc(O)c2cc(Cl)cc(Br)c2n1 1911586601 QTCOPPVXTQDROT-UHFFFAOYSA-N 372.646 4.242 0 1 FIAF CO[C@@H]1C=C(CCC[C@H](C)C=C[C@@H]2C(C)(C)CCC[C@@]2(C)O)C(=O)O1 2356578117 GDBZCCRSKXSHMI-CQSHLORDSA-N 350.499 4.382 0 1 FIAF CC(=O)OCC1=CCC=C(C)C[C@H](O)[C@H]([C@@H](C)CCC=C(C)C)[C@H]1CO 2356798488 PJCXILAVHZAFDU-AGOPTVSRSA-N 364.526 4.184 0 1 FIAF Cc1ccc(-c2cncc(-n3cc(-c4ccc(C(=O)O)cc4)nn3)c2)cc1C 2382234436 ZMOKAAFMYLWLQZ-UHFFFAOYSA-N 370.412 4.311 0 1 FIAF O=C(NCC12CC(CN1Cc1ccccc1)C2)c1ccc2ccccc2c1 2382241191 DUVCXVXKXKTORP-UHFFFAOYSA-N 356.469 4.234 0 1 FIAF CCOC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 61904931 ZGIMYKALNGHFFG-QFIPXVFZSA-N 351.446 4.159 0 3 FIAF COc1cc(F)ccc1-c1csc([C@](C)(NC(C)=O)c2ccccc2)n1 61906943 GMQMMDBJTADTRE-HXUWFJFHSA-N 370.449 4.357 0 3 FIAF CCOc1cc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)ccc1O 11768259 PGSZIZOJQDEGHC-OAHLLOKOSA-N 351.450 4.136 0 1 FIAF O=C(CC1=CCCCC1)NC[C@H]1Cc2c(F)ccc(-c3ccncc3)c2O1 11788759 YPWTYGBZFQBJAB-QGZVFWFLSA-N 366.436 4.198 0 1 FIAF Cc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3ncccc3O2)cc1 13491322 FHPZOIWMILGEQL-UHFFFAOYSA-N 361.401 4.097 0 1 FIAF Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1 13755794 IEPVUPAKSGZBAR-UHFFFAOYSA-N 359.397 4.255 0 1 FIAF O=C1O[C@@H](Cc2ccccc2)C(=Cc2ccccc2)[C@]1(O)Cc1ccccc1 14585025 WGASWKHIQMYEHL-UKILVPOCSA-N 370.448 4.212 0 1 FIAF biogenic CC(C)OC(=O)c1cc(NC(=S)C2=COCCS2)ccc1Cl 26746062 YYYYIGNUOCCGDW-UHFFFAOYSA-N 357.884 4.249 0 1 FIAF CN(C(=O)Cc1ccc2ccsc2c1)[C@@H]1CCCC[C@H]1N1CCCC1 29392544 MIRJSFKDEBXPJP-RTBURBONSA-N 356.535 4.309 0 1 FIAF O=S(=O)(NCCCCCCCc1c[nH]cn1)c1ccc2ccccc2c1 29490013 UUAWWISMNODERN-UHFFFAOYSA-N 371.506 4.034 0 1 FIAF COC(=O)CCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1 29559604 RDJAJUMKENHBEB-UHFFFAOYSA-N 365.429 4.377 0 1 FIAF C[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1 35077996 OJZRYNOBGQMTOS-VIFPVBQESA-N 373.823 4.181 0 1 FIAF CN1CC[C@@H]2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C[C@H]1C2 72103347 FBHBHAUZAZRRFS-BWAGFHJFSA-N 363.501 4.409 0 1 FIAF COc1ccc(-c2cc(C[C@H]3CCCC3=O)ccc2[C@@H](C)C(=O)O)cc1 72107432 NWNGLICJCGYJBZ-RHSMWYFYSA-N 352.430 4.462 0 1 FIAF COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(Cl)cn2)cc1 73163341 GKAVCPBETIUUNC-UHFFFAOYSA-N 369.808 4.378 0 1 FIAF Cc1ccc2cc1-c1cc(nc(N)n1)Sc1cccc(c1)OCCCO2 73224289 OLSXSUXZOLBVQZ-UHFFFAOYSA-N 365.458 4.347 0 1 FIAF O=C(NCC1CC1)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1 82139630 IJRHCVXHYGDDBH-UHFFFAOYSA-N 368.456 4.167 0 1 FIAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)CCc3c(cc4occc4c3C)[C@]12C 86002396 HXWQDWYRBCPQLK-CEMLEFRQSA-N 356.462 4.428 0 1 FIAF biogenic O=C1NC(=O)/C(=C/c2ccc(OC[C@H]3C[C@@H]4CC[C@@H]3C4)c(Cl)c2)S1 101692076 KEBLMCRLTPTWEZ-LOLISOSFSA-N 363.866 4.479 0 1 FIAF Nc1ccc(-c2ccc3nc(-c4ccc(O)cc4Cl)[nH]c3c2)cc1N 587054152 LSHLXSZHXCBLKY-UHFFFAOYSA-N 350.809 4.420 0 1 FIAF O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587087553 LIBUYPOASREGSC-UHFFFAOYSA-N 350.765 4.039 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](Cn1cncn1)CCC3 587105145 QEUGMNNWDVQZJM-CQSZACIVSA-N 366.424 4.158 0 1 FIAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)c1 587160181 KPDOSHJKLDVXRM-UHFFFAOYSA-N 360.392 4.329 0 1 FIAF O=C1c2ccccc2N/C(=C\Cl)N1Cc1cc2c3c(cccc3n1)CC2 587209454 PUKDWAPHQNQPFP-YBFXNURJSA-N 361.832 4.439 0 1 FIAF CN[C@H](c1cccnc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587222964 MPCSAZMLLRNWSO-GFCCVEGCSA-N 374.288 4.304 0 1 FIAF Cc1oncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346312 LVVPLHJSJQTWIG-AZUAARDMSA-N 353.349 4.102 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(C)cc1Br)O2 587381793 LFWSTDDUVNKJSE-INIZCTEOSA-N 364.214 4.494 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(F)ccc1O)O2 587384808 JBKMPCXPQYBMIW-QFIPXVFZSA-N 363.388 4.331 0 1 FIAF Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 587406346 GKKWFERKMQXBRP-XMMPIXPASA-N 369.420 4.339 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc4nccc(Cl)c4s1)[C@@H](C2)C3=O 587451866 LEUYJGMHATVEDV-BTDLBPIBSA-N 357.818 4.447 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](CCc1cccc(F)c1OC)CC2=O 587466210 MKWMOPJRAKEOOQ-AWEZNQCLSA-N 358.409 4.459 0 1 FIAF CS(=O)(=O)c1ccc2[nH]c(-c3ncccn3)c(C3CCCCC3)c2c1 587650882 GQANLCWOGGIYTJ-UHFFFAOYSA-N 355.463 4.076 0 1 FIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 587784013 CRJMBWVXGIOGOL-GHMZBOCLSA-N 362.216 4.208 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c([nH]2)CCCC3)N1 587802316 LCNRPRSVYMFFCU-MLCYQJTMSA-N 363.274 4.419 0 1 FIAF CCCCCC[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587826824 JJPPPAZAWVSBHU-PIGZYNQJSA-N 372.278 4.373 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)cs2)N1 587854683 RWWGTKIBMKUDCJ-PWCHPLFNSA-N 361.667 4.322 0 1 FIAF COc1cccc([C@H](C)Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587932975 XVOAPZLLDRYNCU-MRVPVSSYSA-N 370.762 4.332 0 1 FIAF O=C(CCc1ccccc1)c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 587953467 KOVGDQSTOJGZIC-UHFFFAOYSA-N 369.293 4.428 0 1 FIAF CC(C)Oc1cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2cc1Br 587961663 VRGDLVFAZGFQKB-SNVBAGLBSA-N 369.259 4.156 0 1 FIAF O=C(COc1cc2ccccc2oc1=O)Nc1ccc(-c2ccccc2)cc1 653787733 OAIKMRFDECEUFM-UHFFFAOYSA-N 371.392 4.478 0 1 FIAF COc1ccc(Cc2nc(/C=C/c3cc4ccccc4nc3OC)no2)cc1 653798264 XDMGYWYQPJCIHD-FMIVXFBMSA-N 373.412 4.396 0 1 FIAF Cc1ccnc2c1CCN[C@]2(C)c1cc(Cl)cc(OC(F)(F)F)c1 963083734 DJPGIDRSUUFURF-MRXNPFEDSA-N 356.775 4.351 0 1 FIAF CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356530071 BEDVMNFREUAOFL-FDPOVUBTSA-N 374.521 4.059 0 1 FIAF C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CCC21OCCO1)CC1(CC4)OCCO1 2356862892 VCJRIJKZDDFALD-AABGKKOBSA-N 358.478 4.110 0 1 FIAF CC1(C)CCC(=O)N2CC[C@H]3C[C@H](OC(=O)Nc4ccccc4)C[C@@H]1[C@H]32 15933855 DRFPJPWWKZCUGR-RMRDIRSESA-N 356.466 4.051 0 3 FIAF O=C(O)[C@@H]1CCCN(CCO[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 13729379 KGVCYMDWXRKNMB-QUCCMNQESA-N 373.880 4.243 0 1 FIAF CC(=O)N1C[C@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 27523169 FFQVDRITTCXBHI-QZTJIDSGSA-N 366.244 4.318 0 1 FIAF O=C(CO)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 28766055 DEGLCERWSSJYCO-UHFFFAOYSA-N 373.374 4.427 0 1 FIAF Cc1ccccc1-n1c(/C=C/c2ccccn2)nc2ccc(F)cc2c1=O 29473700 RYKLJXQBRBGNBO-ZRDIBKRKSA-N 357.388 4.399 0 1 FIAF O=C1[C@H]2Nc3ccc(Br)cc3[C@H]2N=CN1CCC1=CCCCC1 40917153 CCOPSCZJPVCEHX-SJORKVTESA-N 374.282 4.045 0 1 FIAF CCOc1ccccc1CNc1cc(Oc2ccc(OC)cc2)ncn1 82068349 WPJYXZOUGRROEQ-UHFFFAOYSA-N 351.406 4.288 0 1 FIAF COc1ccc(C[C@@H](C)[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)cc1OC 86048079 JHEXMPZEYDIRNZ-GTQRCTGISA-N 374.477 4.269 0 1 FIAF CCCN1N=C2/C(=C/c3ccccc3)C[S@@](=O)C[C@H]2[C@H]1c1ccccc1 100788217 WHBHZFWSLGEPFN-PYQOTADHSA-N 364.514 4.271 0 1 FIAF CC1=C(C(=O)Nc2ccccc2Cl)[C@@H]([C@H](C)c2ccccc2)NC(=O)N1 103196575 FYCUDLOVPMWADZ-KZULUSFZSA-N 369.852 4.038 0 1 FIAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)c(F)c1 116231595 ZWCJLTGYJAFRFZ-UHFFFAOYSA-N 357.360 4.118 0 1 FIAF COc1ccc([C@H]2CC[C@@H](NC(=O)Nc3cccc4[nH]ncc34)C2)cc1 169704897 WKYAYIGRLGYSBA-LSDHHAIUSA-N 350.422 4.029 0 1 FIAF CCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(Cl)ccc21 299831884 JGBSWQBWUVGILS-UHFFFAOYSA-N 354.797 4.064 0 1 FIAF O=C(c1ccc(Cl)cc1)N1CCCn2nc(COc3ccccc3)cc21 473149122 HNDHDSBIEUXKJJ-UHFFFAOYSA-N 367.836 4.166 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC)c(C)cc2[nH]1 586917011 QQHWFKYOJPCHRU-VFNWGFHPSA-N 350.418 4.096 0 1 FIAF CCc1ccc(-c2nc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)cs2)cc1 587016211 RVCUITQFOBZEMA-UHFFFAOYSA-N 361.430 4.498 0 1 FIAF COc1cc(/C=C/c2nc3cncnc3[nH]2)cc(Cl)c1OCC(C)C 587046663 IZVJHXKFCLIHPI-SNAWJCMRSA-N 358.829 4.220 0 1 FIAF COc1cccc(-c2ccc(-c3nc4cc(=N)[nH]cc4[nH]3)c(Cl)c2)c1 587052401 RRUUOMMLXXBGHL-UHFFFAOYSA-N 350.809 4.366 0 1 FIAF COc1c(F)ccc(F)c1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587133489 YILMXUMATVQHCF-UHFFFAOYSA-N 366.371 4.348 0 1 FIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587195379 JBBOJRNDWWLGAT-MRVPVSSYSA-N 369.778 4.195 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cncc(Cl)c2[nH]1 587201555 RXQGLCRPQFCGPB-UHFFFAOYSA-N 352.866 4.192 0 1 FIAF CCOC(=O)Cc1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 587258317 GQLHMKZEBGNGCP-IBGZPJMESA-N 373.456 4.064 0 1 FIAF O=C(c1ccc(Cl)s1)c1c(CO)oc2cc(Br)cnc12 587276985 YAOBKVVHXULAEE-UHFFFAOYSA-N 372.627 4.029 0 1 FIAF CC[C@@]1(c2ccc(OCC(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587383002 QEZMNCITXHDTNC-FQEVSTJZSA-N 361.388 4.492 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1cccc(C=O)c1)(C1CCCC1)[C@@H](C2)C3=O 587445753 ODOUMSCUIZOBLX-WMZHIEFXSA-N 362.425 4.341 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](c3ccnn3C)C1)CC2=O 587473963 AVONIEJPKUSHQO-SPLOXXLWSA-N 354.450 4.140 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OC)c1OC)CC2=O 587477896 KGBJPVPQVMNQJO-SFHVURJKSA-N 372.417 4.077 0 1 FIAF Cn1nc(C(F)(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510649 WWKDWHSHFKIIFT-OAHLLOKOSA-N 350.340 4.024 0 1 FIAF CN1C(=O)CCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587518349 GHKWGACBAZADHN-NRFANRHFSA-N 361.441 4.181 0 1 FIAF C[C@@]1(c2cc(CC(=O)O)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 587529628 AKRWUINNNZEOLF-FQEVSTJZSA-N 356.443 4.135 0 1 FIAF O=NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570156 ICTHJOVJMSZOPM-WIYYLYMNSA-N 361.353 4.016 0 1 FIAF CCc1cnccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587770499 AGHPYQYPDZCWCC-VOJFVSQTSA-N 363.274 4.343 0 1 FIAF COc1ccc(C=O)cc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 587786442 GZFNDKJGMVZNID-UHFFFAOYSA-N 359.223 4.430 0 1 FIAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(OC(C)C)cc2[nH]1 587788043 UOBFYHLGPNGQTI-UHFFFAOYSA-N 352.434 4.483 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2c(C)csc12 587872178 JSKLRGYDXCNRJE-UHFFFAOYSA-N 354.410 4.390 0 1 FIAF CO[C@@H](C)COC1CCC(c2nc3ccc4nc(C)ccc4c3[nH]2)CC1 587950174 ACTDRFIPHYNWOZ-FHERZECASA-N 353.466 4.497 0 1 FIAF CCSCC[C@@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963180022 FWBKYQYMCBIYEB-QWHCGFSZSA-N 367.820 4.142 0 1 FIAF FC1(F)CCN(Cc2ncn3ccccc23)C[C@H]1CCc1ccccc1 1772619092 CHAVLJINZHBAED-GOSISDBHSA-N 355.432 4.424 0 1 FIAF Cc1ccc(-c2nnn(CCCN3CCC[C@@H]3c3ccc(C)cc3)n2)cc1 1857587838 UBRTVRINNQLAAZ-OAQYLSRUSA-N 361.493 4.184 0 1 FIAF COc1cc(C(=O)c2cccc(-c3cccc(C)c3)n2)cc(OC)c1OC 1857593142 XZUMMHFDEJHEKC-UHFFFAOYSA-N 363.413 4.314 0 1 FIAF COc1ccc(CN2C(=O)c3cccnc3[C@H]2Nc2ccc(C)cc2)cc1 4960904 PFDGYKFIEMLYHX-NRFANRHFSA-N 359.429 4.165 0 3 FIAF COc1ccc(N2C(=O)c3n[nH]c(C(C)C)c3[C@@H]2c2ccc(F)cc2)cc1 199730237 WTCXDDIGTQIEEJ-FQEVSTJZSA-N 365.408 4.431 0 3 FIAF CCCCO[P@](C)(=O)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F 5784072 NOJKENVRJDSSCH-QHCPKHFHSA-N 373.230 4.278 0 1 FIAF O=C(Nc1ccc(Br)cc1F)N1CCSc2ncccc21 20938742 GBUOJUTVCGZGRT-UHFFFAOYSA-N 368.231 4.127 0 1 FIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)[C@H]5COC[C@]43C5)[C@@H]1CC[C@@H]2OC1CC1 25963835 NXHVROPEBMRJEZ-SSQJYTEISA-N 358.522 4.094 0 1 FIAF C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@H]2C(=O)c1ccc[nH]1 26389106 XGBWNEKVHQUBJF-YZCBRVOLSA-N 368.521 4.335 0 1 FIAF C[C@@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](N)C[C@@]1(c1cccc(O)c1)C2 27104912 DBPFGWTUHBQYTM-JITXHHKSSA-N 364.533 4.094 0 1 FIAF Cc1cc(-c2ccc(Cl)cc2)c(/C=C/[C@H]2C[C@@H](O)CC(=O)O2)c(C)n1 27655212 YUDMEWWJTJHMSU-PWHGLLLSSA-N 357.837 4.099 0 1 FIAF COc1cc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cc(OC)c1 40979494 BWBYUECOZPJPMH-CMDGGOBGSA-N 366.442 4.479 0 1 FIAF C=Cc1cc(-c2cnnc3cc(OC)c(OC)cc23)cnc1NC(C)C 43203432 CZGZUWDZJBXCBD-UHFFFAOYSA-N 350.422 4.172 0 1 FIAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(Cl)nc2ccc(OC)cc12 45210142 XJIBDOHIONJNPE-OCCRYCDCSA-N 360.885 4.051 0 1 FIAF COc1cc(-c2cn[nH]c2)cc2sc([C@@H]3COc4ccccc4C3)nc12 49033387 GUDYTHBWPHXZNU-AWEZNQCLSA-N 363.442 4.414 0 1 FIAF COc1ccc2cc(Cn3cc(-c4ccccc4)nn3)c(Cl)nc2c1 53297283 IZTFKKFRYUHVKQ-UHFFFAOYSA-N 350.809 4.204 0 1 FIAF Cc1nc(C(=O)N2CCCC2)cc(-c2ccc(Cl)cc2Cl)c1CN 66102173 NDYGAWNZKYHXHD-UHFFFAOYSA-N 364.276 4.059 0 1 FIAF CCCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1F 82150229 ZSXDEAVJZGUCCY-UHFFFAOYSA-N 356.445 4.167 0 1 FIAF Cc1cc(C)c(C(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c(C)c1 82158052 RJSMCDQIXBAYAM-UHFFFAOYSA-N 370.537 4.303 0 1 FIAF CCCOCCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1 82174995 ARCQAKJOGLGIAP-UHFFFAOYSA-N 370.428 4.475 0 1 FIAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)C4CCCC4)C[C@@H]2N3)cc1 100100057 IWLYJJMVTCGGQB-JKHIJQBDSA-N 360.501 4.118 0 1 FIAF COc1ccc(-c2cc([C@@H](O)C[C@H]3CCCCN3)c3ccccc3n2)cc1 169334760 SECBAURNHRASLF-HXOBKFHXSA-N 362.473 4.476 0 1 FIAF COC[C@H](Nc1ncnc2sc(Br)cc12)c1ccccc1 299858854 HDGOAQUIXZSRIO-LBPRGKRZSA-N 364.268 4.253 0 1 FIAF O[C@H]1CC[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)CC1 586899876 VAQBCNNTDVUEES-OCAPTIKFSA-N 374.076 4.106 0 1 FIAF CCc1oc2ccccc2c1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 586903548 LGHNHNBMMPIQRW-UHFFFAOYSA-N 350.374 4.334 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc3nc(C)ccc3c2[nH]1 586963409 MZTLOVZSKKTYKX-HNNXBMFYSA-N 365.462 4.467 0 1 FIAF Cc1cc(Br)ccc1OCc1nc2cc(Cl)cnc2[nH]1 586981821 URAXHEJOPFDKRK-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF FC(F)(F)Oc1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587034013 BKWPFEUOSKQIJW-LBPRGKRZSA-N 354.353 4.380 0 1 FIAF FC(F)(F)Oc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Cl 587041183 WUIFZCHAKSWGSE-UHFFFAOYSA-N 372.759 4.415 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCC3)c(F)c1)O2 587381839 LYRIUAXOSMVAOZ-NRFANRHFSA-N 354.425 4.197 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3nccs3)c1C)O2 587410953 AETRMQVGMAFVRH-KRWDZBQOSA-N 353.447 4.148 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(O)[nH]c4cccc(Cl)c14)[C@@H](C2)C3=O 587420531 IKVDSOFGCYJPPM-XTZNXHDOSA-N 355.777 4.024 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC(F)(F)F)c1)[C@@H](C2)C3=O 587424015 WFZCCFFKAHVMIK-GUYCJALGSA-N 350.292 4.083 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cscc1Br)[C@@H](C2)C3=O 587450160 FFEYYPKRCHLNRS-VFZGTOFNSA-N 351.221 4.008 0 1 FIAF O=C1C[C@@]2(CCOc3cc(O)c(F)cc32)Oc2c1ccc1c2CCCC1 587508369 PDTSVKYLHWCLEN-OAQYLSRUSA-N 354.377 4.053 0 1 FIAF O=C(O)C[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587529611 QEGYQUVLXQBEFT-WNSKOXEYSA-N 362.425 4.388 0 1 FIAF Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2c(C(=O)O)cccc12 587639330 RTKKNOMKLKXUOE-UHFFFAOYSA-N 358.438 4.289 0 1 FIAF CSC[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587703108 FRYVBXCFXQCNMD-MADCSZMMSA-N 372.225 4.243 0 1 FIAF CCC[C@]1(CC(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815944 RPFOBPVBLOMABZ-BBATYDOGSA-N 368.290 4.487 0 1 FIAF CCC[C@@H]1C[C@@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587836305 ZWHIBKQGZAANST-CJBNDPTMSA-N 356.279 4.297 0 1 FIAF CS(=O)(=O)Nc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1 587924394 WKALLVIEXRZXEC-UHFFFAOYSA-N 369.471 4.330 0 1 FIAF COc1cc(C2(c3nc4c(Br)ccnc4[nH]3)CC2)ccc1C 587924744 DNXYMESSBWGUFF-UHFFFAOYSA-N 358.239 4.117 0 1 FIAF COc1ccc(CCCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1OC 587924968 HXMJNQBZVOPIKJ-UHFFFAOYSA-N 365.355 4.169 0 1 FIAF CC(=O)SCc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O 587926780 NPUCCASRZKWKOR-UHFFFAOYSA-N 355.415 4.041 0 1 FIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2C1(CN2CCOCC2)CCCCC1 963115975 WMGXOUSZCYTZLQ-IRLDBZIGSA-N 372.528 4.170 0 1 FIAF CC(C)(C)[C@@H](NC(=O)/C=C/c1ccccc1)NC(=S)Nc1ccccc1 1772599094 LYLMZNGQHMTGNF-IQGVVSCOSA-N 367.518 4.175 0 1 FIAF CCc1cccc(CNCC2CCN(Cc3ccccc3OC)CC2)c1 1857542583 QYOSOFDSQRQHFM-UHFFFAOYSA-N 352.522 4.259 0 1 FIAF COC(=O)CCCCCN[C@]1(c2ccccc2Cl)CCCCC1=O 1857543580 OVECLRQBHMVDII-IBGZPJMESA-N 351.874 4.001 0 1 FIAF COc1cc(C(=O)c2cccc(-c3ccsc3)n2)cc(OC)c1OC 1857548563 ZLOQVQDVZOHDLL-UHFFFAOYSA-N 355.415 4.067 0 1 FIAF CCC=CC[C@@H]1C=C[C@@H]2[C@@H](OC(C)=O)CC(=O)[C@@H]2CC=CCCCC(=O)O1 2356687914 FMPPDLWWZZRSMA-BNDYYXHWSA-N 374.477 4.078 0 1 FIAF CC(=O)c1ccccc1N[C@@H](c1nnnn1-c1c(C)cccc1C)C1CC1 206051360 HVQLJLPXFICYJK-LJQANCHMSA-N 361.449 4.045 0 3 FIAF CN(C)c1cc2c3c(c4nccc5c4c2n1-c1ccccc1-5)NC(=O)CS3 13430302 GPZYPHQBECMNGO-UHFFFAOYSA-N 372.453 4.269 0 1 FIAF biogenic C[n+]1cccc(C(=O)OCCCCCCCn2ccc3ccccc32)c1 13524903 LXLMRDLEEMOHGZ-UHFFFAOYSA-N 351.470 4.273 0 1 FIAF COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CC[C@@H](O)C3)cc1 27709599 CFWCZPFWDBOUHF-MRXNPFEDSA-N 354.837 4.051 0 1 FIAF O=c1c2cc(F)c(-c3cccc(O)c3)cc2n(C2CC2)c2snc(O)c12 28571264 RFAPGAPICNQXOM-UHFFFAOYSA-N 368.389 4.163 0 1 FIAF Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(NCc2ccncc2)n1 28957032 IUVWAGKDBBJAOZ-UHFFFAOYSA-N 352.825 4.303 0 1 FIAF O=C(O)CC1=C(c2ccc(Cl)cc2)N=C(S)N[C@@H]1c1cccs1 29409299 VQGGJGAGPNVQOG-HNNXBMFYSA-N 364.879 4.218 0 1 FIAF CCc1nn(CCO)c(C(F)(F)F)c1Cc1cc(Cl)cc(Cl)c1 34228226 COTAEJDMSLJUKZ-UHFFFAOYSA-N 367.198 4.354 0 1 FIAF O=C(c1ccncc1)N1N=C(c2ccccn2)C[C@H]1c1ccc(Cl)cc1 38260963 YAGXLYSVFGSADG-IBGZPJMESA-N 362.820 4.122 0 1 FIAF CNC1(c2ccccc2)CN(C2c3ccccc3CCc3ccccc32)C1 39236471 XHTDHSDOVSYPAA-UHFFFAOYSA-N 354.497 4.305 0 1 FIAF O=C(O)CCCSc1nc2cccnc2n1Cc1ccc(Cl)cc1 40505237 NORQIRVFTXNLCS-UHFFFAOYSA-N 361.854 4.090 0 1 FIAF CC1=Nc2ncnn2[C@@H](c2cccs2)/C1=C(/O)OCc1ccccc1 103532495 LKEHKPVDTLIDPC-SCDSTIRESA-N 352.419 4.021 0 1 FIAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC(C)(C)C)cn1 143618271 INZYESLQJQYEFG-UHFFFAOYSA-N 365.433 4.152 0 1 FIAF COC(=O)[C@]1(/C=C2\c3ccccc3[C@@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 169330300 ASIWMRFKVKKMJP-AXWRDRSYSA-N 362.425 4.125 0 1 FIAF Clc1ccc([C@@H](CCN2CCCCC2)N2CCOCC2)cc1Cl 299822062 ODTKQPAQIAKYDZ-GOSISDBHSA-N 357.325 4.243 0 1 FIAF c1ccc(CNC[C@H]2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 473154371 GQYRZFAINHVYIL-HSZRJFAPSA-N 359.469 4.483 0 1 FIAF O=C(O)/C=C\c1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586880302 PFLTZRZIFYSJNJ-WAYWQWQTSA-N 350.271 4.486 0 1 FIAF OCc1ccc(-c2cc(Cl)cc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1 587067900 UAJNQHYUPYDTRM-UHFFFAOYSA-N 371.227 4.438 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2cc(C)cc(C)c2[nH]1)C(F)(F)F 587093650 XIYADULHBDLDIN-GOSISDBHSA-N 363.383 4.343 0 1 FIAF Fc1cc(Br)cc(-c2nc3ccnc(Br)c3[nH]2)c1 587161614 YZCYEJQYDBPDIU-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cncc(Cl)c2[nH]1 587168090 RZNOTCUGENVEEC-CQSZACIVSA-N 359.792 4.119 0 1 FIAF Cc1c(Cl)ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587193517 CJBPPUHELAGCGU-CQSZACIVSA-N 366.893 4.042 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc4cnc(Cl)cc4c1)[C@@H](C2)C3=O 587420342 KIZINRLDDWGVTN-YWZLYKJASA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CC=C(CCCC(C)(C)O)CC1)[C@@H](C2)C3=O 587451099 OOLIQIFDFALZGM-QRFQSNJMSA-N 370.489 4.479 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cl)c1O)CC2=O 587458626 DBIAGGOBEQETSS-INIZCTEOSA-N 362.809 4.419 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1nccn1Cc1ccccc1)CC2=O 587471464 RCDVGHLBTGWIED-FQEVSTJZSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(OC)nc1C)CC2=O 587485812 KURBIELLTAWRGR-HNNXBMFYSA-N 355.434 4.023 0 1 FIAF N=c1[nH]c2cc(Cl)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 587502246 UKOIWGDWSJXNCI-KRWDZBQOSA-N 368.820 4.479 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(F)cccc12 587571628 QYKBSBCMEQIODT-SIKLNZKXSA-N 362.356 4.335 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1NCCC2 587597116 SHVIRWZANYDXCI-XXBNENTESA-N 373.408 4.453 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(O)c(F)c2)N1 587722568 SRTZCBMFHJBQOO-KWKYVRJSSA-N 372.184 4.196 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cncc(F)c2)N1 587736748 WULGEPUUUBMEBN-DYZYQPBXSA-N 367.237 4.330 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3[nH]ncc23)N1 587797323 RVDWYAGPKKXIAC-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cl)nn1 587864455 HTCPWGJYSWUWJV-UHFFFAOYSA-N 368.746 4.400 0 1 FIAF CCN(c1ccc(-c2csc(CC3CCCC3)n2)cc1)S(C)(=O)=O 587923603 YUNPPEBADYQDNW-UHFFFAOYSA-N 364.536 4.329 0 1 FIAF COC(=O)c1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cn1 587956313 WNJLIJPALJNFAR-KRWDZBQOSA-N 357.413 4.119 0 1 FIAF Cc1cc(S(=O)(=O)N2C[C@H](F)C[C@@H]2c2ccc(F)cc2)cc(C)c1F 653766303 IWSOJDYXNTZUGK-NVXWUHKLSA-N 369.408 4.055 0 1 FIAF CCOC(=O)[C@]12CCCC1=C[C@@]1(C2)NCCc2c(Cl)cc(Cl)cc21 963103762 GOUOCXPJMDSGFL-OALUTQOASA-N 366.288 4.398 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CC(C)(C)Oc2ccccc21 963608421 LEKNSGNZRKAJMU-JLCFBVMHSA-N 353.462 4.043 0 1 FIAF O=C(O)CC[C@H]1CCc2cc(-c3cc(OC4CCC4)ncc3F)ccc2O1 1772583140 MHJAABXYHDKRBJ-MRXNPFEDSA-N 371.408 4.377 0 1 FIAF Cc1cc(NC(=O)Cn2cc(-c3ccccc3)cn2)n(C2CCCCC2)n1 1857554379 ZYTHREZOMDPKPZ-UHFFFAOYSA-N 363.465 4.199 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2C(=O)OC[C@@H]2[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@H]12 2356393942 YMZURUWUXXNPKP-PYNXFOBHSA-N 362.510 4.360 0 1 FIAF CCCCCc1cc(O)c(C[C@H](O)[C@@](C)(O)CCC=C(C)C)c(O)c1 2356394410 BKIVMEYACIOCCX-SFTDATJTSA-N 350.499 4.231 0 1 FIAF CCCNC(=O)O[C@H]1C=C[C@H](c2c(C)nn(-c3ccccc3C)c2C)C1 2356838375 LZKQBHFJUGANLT-ROUUACIJSA-N 353.466 4.346 0 1 FIAF COC(=O)CC[C@]12[C@H]3CCC[C@@]34CC[C@H]3[C@@H]4N4C[C@@H](C)[C@@H](CC[C@@]31C)[C@@H]42 2356862347 UZKATYCSEUEWKQ-VPGFNGHWSA-N 357.538 4.255 0 1 FIAF Cn1cc(CN2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 13596966 OCHXJKMRJYHOPE-QFIPXVFZSA-N 359.473 4.182 0 3 FIAF CCc1ccc(C2=CN3C(=O)c4cc(OC)c(OC)cc4N=C[C@@H]3C2)cc1 1491121 CVRHPUMMJJVYLV-KRWDZBQOSA-N 362.429 4.238 0 1 FIAF COC(=O)c1ccc(C)cc1[C@@H]1CN=N[C@]12Cc1cc(C)c(C)cc1C2=O 5539631 LPLOCPUBJLVZSY-SIKLNZKXSA-N 362.429 4.126 0 1 FIAF CCN(CC)CCCN(CC)CCNc1ccnc2cc(Cl)ccc12 29053794 HDJINRKHYZJXSV-UHFFFAOYSA-N 362.949 4.354 0 1 FIAF CC/C=C\C/C=C\C[C@H](O)/C=C/[C@@H](O)[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 34443984 XZIRYBKRPWWONW-RFPSPGDLSA-N 362.510 4.079 0 1 FIAF O=C1S/C(=C\c2cccc3ccccc23)C(=O)N1CC(=O)C(F)(F)F 49803440 RKAJDEVYFZXEOZ-JYRVWZFOSA-N 365.332 4.008 0 1 FIAF CN(C)c1ccc(-n2ccc3cc(I)ccc32)cc1 53296883 WFDBFEPOTQCDRZ-UHFFFAOYSA-N 362.214 4.301 0 1 FIAF Cc1cc(Sc2ccc3nc(N)nc(N)c3c2)ccc1Br 59720570 PNVXAJMPBXKREK-UHFFFAOYSA-N 361.268 4.016 0 1 FIAF CCc1ccccc1-n1cc(CC(=O)NCc2ccc(F)cc2Cl)cn1 95565828 SWGPNOLHFQMDOW-UHFFFAOYSA-N 371.843 4.086 0 1 FIAF O=c1c2ccccc2c(C(=S)Nc2cccc3ccccc23)c2n1CCN2 101547875 FWJHAGYPRBJRCR-UHFFFAOYSA-N 371.465 4.368 0 1 FIAF O=C(O)CSc1n[nH]c(-c2cccc(-c3ccc4ccccc4c3)c2)n1 205441955 NYLJFVLNXGXIIR-UHFFFAOYSA-N 361.426 4.469 0 1 FIAF COC(C)(C)/C=C\c1c2c(c3oc(C)cc(=O)c3c1O)C=CC(C)(C)O2 238764435 PSUAGFUDTCULAM-CLFYSBASSA-N 356.418 4.429 0 1 FIAF CC1(C)OC(=O)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586906127 JRBBLJPCBWFRRF-QMMMGPOBSA-N 366.261 4.410 0 1 FIAF COc1c(F)ccc(F)c1-c1nc2ccc(F)c(Br)c2[nH]1 587133365 UULNRAOVCXVBTB-UHFFFAOYSA-N 357.129 4.418 0 1 FIAF Fc1cc2c(c(Cc3nc4cc(Cl)c(Cl)cc4[nH]3)c1)OCOC2 587171876 UGJHCKCCFKJIJZ-UHFFFAOYSA-N 353.180 4.466 0 1 FIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(Cl)cnc(Cl)c2[nH]1 587174261 IHJLOVADRJTKNH-LLVKDONJSA-N 364.211 4.128 0 1 FIAF Cc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2n1 587182498 HJMBYKVPOZGPBS-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF O=C(NCCc1nc2cccc(C(F)(F)F)c2[nH]1)OCc1ccccc1 587228658 VXCLUMNFOTYPDG-UHFFFAOYSA-N 363.339 4.051 0 1 FIAF COCCn1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587389699 IMJYQLWMQLZXQE-QFIPXVFZSA-N 364.445 4.059 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc(C)on1)CC2=O 587468620 ADKOWZSLRBFMSZ-GOSISDBHSA-N 352.390 4.138 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3noc(C)n3)c1)CC2=O 587482854 KVQYOYXULMJKPS-LJQANCHMSA-N 364.401 4.410 0 1 FIAF Nc1ncc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496556 IEDBUXPFFWSXJK-MRXNPFEDSA-N 373.250 4.012 0 1 FIAF CN(C)CCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508391 VLYQPXJHKQBOTJ-QFIPXVFZSA-N 365.473 4.212 0 1 FIAF O=C(O)CCc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530883 WICVAPYFNDMIEL-FQEVSTJZSA-N 350.414 4.289 0 1 FIAF CC(C)[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589473 WXJGSAJCZDBRII-SIKLNZKXSA-N 361.397 4.300 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ncc2F)N1 587732381 MDBTXFKNRHNNBD-NZFNHWASSA-N 373.628 4.399 0 1 FIAF CC/C(C)=C(/N)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587749180 NHXOLSQXJAAZDY-CKBZUYBBSA-N 355.295 4.370 0 1 FIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(OC(C)C)ccc3[nH]2)cc1 587783808 ARBZUKKDSRJSPZ-DLBZAZTESA-N 350.418 4.294 0 1 FIAF CC(=O)[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822497 KYZWPMKQEDOMPA-PGQWDYDZSA-N 354.263 4.097 0 1 FIAF Cc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587852488 LOHGGFXFQIOSLG-BCTVWOGZSA-N 369.303 4.459 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccnc1C1CC1 587863090 QONXDVFMUOIDPC-UHFFFAOYSA-N 360.339 4.234 0 1 FIAF COc1ccc(CCCc2nc3cc(F)c(F)c(F)c3[nH]2)c(OC)c1 587928536 IXUPLDRSDNBWBH-UHFFFAOYSA-N 350.340 4.173 0 1 FIAF CCOC(=O)[C@]12CCCC1=C[C@@]1(C2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962956948 ZCWOSICRZNYGPM-GMWOSMDTSA-N 364.489 4.351 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2C=C(C(F)(F)F)C(F)(F)F 963633525 IQBPARNSNNJGLI-SCZZXKLOSA-N 369.305 4.330 0 1 FIAF c1ccc(CCOc2cccc(NCc3nc(-c4ccncc4)n[nH]3)c2)cc1 1772634738 UPGXKGJITNCYST-UHFFFAOYSA-N 371.444 4.100 0 1 FIAF C[C@H](Nc1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C)c1ccc(F)cc1 1857746973 IINAUNKOQHVAPJ-UONOGXRCSA-N 353.441 4.333 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@@H]2C2=C(C(=O)OC2)[C@H]1[C@@H](C)CCC=C(C)C 2356306037 AKUDLPRCYTWGQW-MKUUBOLKSA-N 360.494 4.446 0 1 FIAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@H](O)[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]21C 2356426514 COFSRJDBTTZNBZ-RVEDGADZSA-N 364.526 4.015 0 1 FIAF C[C@H](c1ccccc1)n1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21 26723789 WLJDKNCHLKNZQL-MRXNPFEDSA-N 366.424 4.345 0 1 FIAF CCC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1 43075051 NHMACPMXYHTADL-UHFFFAOYSA-N 368.466 4.060 0 1 FIAF CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3ccc(F)cc3)n2)C1 82068879 SXSWVECQIWYIBY-QRWLVFNGSA-N 359.445 4.397 0 1 FIAF O[C@@H](c1cccs1)c1nnc(Nc2cccc(C(F)(F)F)c2)s1 82078273 MLCMQQYHVPGNJU-NSHDSACASA-N 357.382 4.444 0 1 FIAF CC[C@@H](Oc1cccc2ccccc12)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102071016 DONQHEMPIDPWDX-ABSDTBQOSA-N 353.462 4.166 0 1 FIAF CCOCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(C)C 103239809 OGFHGEMKKYCCOA-UHFFFAOYSA-N 374.485 4.262 0 1 FIAF COc1ccc(F)cc1C(C)(C)C[C@](C)(O)Cc1cc2ccncc2[nH]1 113504832 PZPQWFDLBYRFRX-OAQYLSRUSA-N 356.441 4.372 0 1 FIAF CC(C)OC(=O)/C=C\n1cnc(-c2ccc(-c3ccccc3)c(F)c2)n1 115887235 XEURSUSENNHSSK-KHPPLWFESA-N 351.381 4.174 0 1 FIAF CCN(CC)c1ccc(-c2ccc3cc(OC[C@@H](O)CF)ccc3n2)cc1 148960579 UJKGDGDFGOYPIL-IBGZPJMESA-N 368.452 4.457 0 1 FIAF CC[C@@H](C)c1cc(Oc2c(C)cc(C[C@H](N)C(=O)O)cc2C)ccc1O 169342204 CXVQAKBCGAUNCQ-XIKOKIGWSA-N 357.450 4.269 0 1 FIAF CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@@H]2C=C(CCCCC(=O)O)C[C@H]21 261117861 JANVYOZZTKSZGN-PROGNROMSA-N 350.499 4.072 0 1 FIAF in-vitro O=C(O)/C=C\c1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 586881270 VGLHKWWGOZBLGE-YVMONPNESA-N 361.170 4.229 0 1 FIAF O=C1O/C(=C/c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc21 586906218 JUHXZAIBDBOXCS-NTUHNPAUSA-N 359.154 4.133 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]([C@@H]1CCOC1)CC3 586992826 YESKGZLUBJJOSU-ZIAGYGMSSA-N 371.436 4.293 0 1 FIAF O=C1COc2cc3[nH]c(C4(c5ccc(Cl)cc5)CCC4)nc3cc2N1 587074242 UNWOBBRISZPLOC-UHFFFAOYSA-N 353.809 4.017 0 1 FIAF COc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1OC 587120501 MBOCNPYLVCOJIV-UHFFFAOYSA-N 362.311 4.142 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(=O)OC(C)(C)C)cc1)O2 587398046 AFXDXFUXFSZFQR-QFIPXVFZSA-N 367.445 4.413 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc4cc(Cl)ncc4c1)[C@@H](C2)C3=O 587421154 NZINNSUBKVKOKL-MGPUTAFESA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c4cccnc14)[C@@H](C2)C3=O 587422385 PIDNXXBHESYMHA-VBKZILBWSA-N 351.789 4.386 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1coc3ccc(F)cc3c1=O)CC2=O 587472455 QVZWLIXDEPENOF-IBGZPJMESA-N 368.360 4.297 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCN(Cc3ccccc3)C1)CC2=O 587475125 MHGRDOUSCNOPRK-HSZRJFAPSA-N 365.473 4.345 0 1 FIAF Fc1c(Br)cc2nc(CCOCc3ccccc3)[nH]c2c1F 587566052 ROCFFHKIODOWOX-UHFFFAOYSA-N 367.193 4.363 0 1 FIAF CC[C@@H](C)c1ccc2[nH]c(-c3cnn(C)c3)c(C(=O)c3cnn(C)c3)c2c1 587642753 ORFGZIVZQBCYCZ-CYBMUJFWSA-N 361.449 4.046 0 1 FIAF Cc1cc(N)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587748483 XICXFXRLGGGUTH-ADLMAVQZSA-N 363.274 4.277 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nn(C)cc23)N1 587762076 XBMFYFASPOKRNN-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF CCOc1ncccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587771457 LUHTVNCIGOFQCT-MGPLVRAMSA-N 365.246 4.006 0 1 FIAF CC(C)[C@@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775813 AEKABDUDWUILHR-SGTLLEGYSA-N 363.274 4.417 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nccnc23)N1 587778604 NGZWAMNMLYGZIM-QGHHPUGFSA-N 372.241 4.155 0 1 FIAF CCC[C@@]1(C2CCNCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793766 LBOHXMCAJPXBHB-SGTLLEGYSA-N 369.322 4.117 0 1 FIAF CO[C@@H]1[C@H](C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587813980 XCACVJNBKQSHLB-BAVSNKJRSA-N 356.279 4.009 0 1 FIAF Cc1cc(O)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587830532 CUVGEXUGPMXNNA-BBATYDOGSA-N 364.258 4.400 0 1 FIAF CC(=O)C12CC([C@]3(C)c4cccc(F)c4CCN3[C@@H]3CCSC3)(C1)C2 962693817 DLHRVXHOMLWNPH-HGLRZXHXSA-N 359.510 4.164 0 1 FIAF COc1cc(-c2oc3ccccc3c(=O)c2OC(C)C)cc(OC)c1OC 1772572392 XAGRYKQYIXRFOR-UHFFFAOYSA-N 370.401 4.273 0 1 FIAF O=C(Nc1cccc(Cl)c1)Nc1ccc2nc(-c3ccncc3)nn2c1 1857616793 KSKGTACVADNPSA-UHFFFAOYSA-N 364.796 4.089 0 1 FIAF CCCC=CC=CC=CCCCOC[C@H](CO)OC(=O)c1ccc(O)cc1 2356715344 HDFSCPGSKMWCOJ-NRFANRHFSA-N 374.477 4.175 0 1 FIAF Cc1ccc(Cl)cc1C(=O)NCC12CC(CN1Cc1ccccc1)C2 2382254174 ATYHBQLFSWJVTL-UHFFFAOYSA-N 354.881 4.043 0 1 FIAF Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccccc2C)s1 1330237 KPEKLGFFBNMFFL-UHFFFAOYSA-N 356.491 4.071 0 3 FIAF COc1ccc(CN2C(=O)c3cccnc3[C@@H]2Nc2ccc(C)cc2)cc1 4960905 PFDGYKFIEMLYHX-OAQYLSRUSA-N 359.429 4.165 0 3 FIAF CCC[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 61923248 HGIHLQHLDHUEQB-OXJNMPFZSA-N 366.461 4.103 0 3 FIAF COc1ccc2c(c1)/C(=C(C(\Cl)=C(\Cl)N1CCCCC1)/[N+](=O)[O-])N2 6018624 XEJSORJGESNRAX-AILVWVMCSA-N 370.236 4.199 0 1 FIAF O=C(C1=NS(=O)(=O)c2ccc(Cl)cc2S1)c1ccc(Cl)cc1 6535323 UIOWAMBHSUSHIQ-UHFFFAOYSA-N 372.254 4.069 0 1 FIAF CCc1ccccc1NC(=O)Cc1ccc(-n2c(C)nc3cccnc32)cc1 6900778 SRVXEPWNCZWUGD-UHFFFAOYSA-N 370.456 4.473 0 1 FIAF COc1cc([C@@H]2c3cc4c(cc3C[C@H](C)[C@@H]2C)OCO4)cc2c1OCO2 14641065 WMPUHRROBOWDAU-JOOBJXAISA-N 354.402 4.113 0 1 FIAF biogenic CC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12 27211465 KLZIVCBNXVDHNY-UHFFFAOYSA-N 350.462 4.462 0 1 FIAF COC(=O)c1ccc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c1 28016066 NVCVLRVOGQLMJZ-UHFFFAOYSA-N 366.438 4.211 0 1 FIAF O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccccc2)c1 28387574 NIPRNSKRPAQDSP-QHCPKHFHSA-N 356.469 4.358 0 1 FIAF COc1cc(C(=O)c2sc3c(OC)cccc3c2C)cc(OC)c1OC 53312447 IKDWHFXYSUNGBN-UHFFFAOYSA-N 372.442 4.475 0 1 FIAF CC(=O)Nc1cc(-c2ccc(C(C)=O)cc2)nc(-c2ccc(C(C)=O)cc2)n1 66104196 ISEPHMSPZZXFDT-UHFFFAOYSA-N 373.412 4.174 0 1 FIAF Cc1c(Cl)cccc1Oc1cccn2c(C34CCN(CC3)CC4)nnc12 72108561 TXHACQHDEYTKLL-UHFFFAOYSA-N 368.868 4.221 0 1 FIAF COc1cc(-c2nc(CN(C)c3ccccc3)co2)cc(OC)c1OC 72184450 PWJYAWRZRKKBFI-UHFFFAOYSA-N 354.406 4.004 0 1 FIAF O=C(NCc1ccc(F)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1 73276588 RQYBGHZNFDAJIM-UHFFFAOYSA-N 361.380 4.086 0 1 FIAF Nc1ncc(-c2cc([C@H]3CCOC3)n([C@H]3CCC(F)(F)C3)n2)cc1Cl 146512152 STCUXMPUBAGDFS-JQWIXIFHSA-N 368.815 4.045 0 1 FIAF Clc1ccc(N2CCN(CCCc3nc4ccccc4o3)CC2)cc1 169350445 ZLUCWPDQINEIOK-UHFFFAOYSA-N 355.869 4.236 0 1 FIAF Nc1nnc(-c2ccc3[nH]cc(-c4nccc(-c5ccccc5F)n4)c3c2)o1 204761982 HCTNDZZYSZKDDR-UHFFFAOYSA-N 372.363 4.063 0 1 FIAF FCc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)cc1 220732772 MWJUTKNBZURWNV-SFHVURJKSA-N 368.481 4.410 0 1 FIAF O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1 253684393 LDQTVSTXBDCFCN-CJFIXGCPSA-N 374.484 4.329 0 1 FIAF Cc1nc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2cc1Br 587085015 WMMMWEIKJJRZJK-UHFFFAOYSA-N 363.646 4.157 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@@H](C)Oc3ccc(F)cc3)nc12 587167964 BJCWICFWFVBOQX-SECBINFHSA-N 350.191 4.308 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccncc4)c1)[C@@H](C2)C3=O 587435845 JIMZKIOREILJEH-CVDCTZTESA-N 357.409 4.420 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCOc4cc(C)c(C)cc41)[C@@H](C2)C3=O 587453457 OUNBLUSFMKXCME-HTAPYJJXSA-N 350.414 4.128 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OCC)C[C@H]1C)CC2=O 587481670 RGMGQLUAJXJACW-HKZYLEAXSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccccc3)no1)CC2=O 587485203 QIQFQSSSHJTNPY-KRWDZBQOSA-N 350.374 4.101 0 1 FIAF C[C@]1(CC(=O)N2CCCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587515259 RNJKRBGOGRQDFS-JOCHJYFZSA-N 355.478 4.082 0 1 FIAF COC(=O)[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587522178 FFOQOXNOOZFTFR-JPYJTQIMSA-N 362.425 4.086 0 1 FIAF CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527342 TVESUBYBQZWPOH-QFIPXVFZSA-N 367.445 4.343 0 1 FIAF COc1cc(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587597967 ADLLOIFOHRJNOZ-UGKGYDQZSA-N 362.381 4.412 0 1 FIAF C[C@@]1(c2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598953 ZDJUVWFSZPOFMH-XMSQKQJNSA-N 372.380 4.146 0 1 FIAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587804299 APJJVTXQPMSLIC-BTDLBPIBSA-N 350.231 4.220 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3scnc32)N1 587859580 XIPKXYHWMOCZEZ-XXFAHNHDSA-N 367.287 4.159 0 1 FIAF CC(C)(C)[C@]1(Cn2cccn2)NC2(CC2)Cc2ccc(Br)cc21 961613944 IZJUEMORFJBPGX-LJQANCHMSA-N 374.326 4.266 0 1 FIAF CCc1ccc([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962656233 ABOUXBOICAGKIQ-BJKOFHAPSA-N 374.484 4.159 0 1 FIAF OCCCCCN1CCC[C@@H]1c1nc(-c2ccc3ccccc3c2)no1 1857613116 XFLHXNSJGVOJTG-LJQANCHMSA-N 351.450 4.189 0 1 FIAF O=C(c1nc2ccccc2n1-c1ccc(Cl)c(Cl)c1)N1CC(F)C1 2382238224 JMEUWHMPNDRWRO-UHFFFAOYSA-N 364.207 4.126 0 1 FIAF O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CCCN(CC2CC2)C1 11661800 SYFFJRVTBIXRGV-GOSISDBHSA-N 374.488 4.290 0 1 FIAF O=c1cc(N2CCOCC2)oc2ccc(-c3ccc4ccccc4c3)cc12 13677092 SVCDIRZEWKTXNQ-UHFFFAOYSA-N 357.409 4.450 0 1 FIAF Cc1c(C(=O)NCCc2ccccn2)oc2cc(-c3ccccc3)cc(O)c12 27523416 ZMTCSWLOJWUNHG-UHFFFAOYSA-N 372.424 4.481 0 1 FIAF CN1CCN(CCCCOc2ccccc2/C=C/c2ccc(F)cc2)CC1 27714033 PJJXASVYGSSRJA-DHZHZOJOSA-N 368.496 4.403 0 1 FIAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC)CN(C)[C@@H]1C2 29488816 BOMVRTMBCWESTQ-XFQXTVEOSA-N 354.494 4.135 0 1 FIAF C[C@@H](C(=O)[C@H](C)c1cccc(Oc2ccccc2)c1)C(=O)N1CCCC1 36440514 UUPABTWOCOGHSN-SJORKVTESA-N 351.446 4.410 0 1 FIAF CCN(CC)Cc1cccc(C[C@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 40898883 MDZMZBMFJIRMKC-IBGZPJMESA-N 367.489 4.143 0 1 FIAF Cc1ccc(NC(=O)NC2CCN(c3ccnc4ccccc34)CC2)cc1 45209995 YFQLISAZWYHDSE-UHFFFAOYSA-N 360.461 4.334 0 1 FIAF CC(C)(C)C(=O)OC[C@@H]1C=C(c2ccc(Cl)c(Cl)c2)C(=O)OC1 64573142 ADQJBZVXBYXRLA-SNVBAGLBSA-N 357.233 4.139 0 1 FIAF c1cc2c(cc1O[C@@H]1CCSC1)CCC1(CCN(C3CCC3)CC1)O2 73222778 NOCGMUFBVUCSBB-LJQANCHMSA-N 359.535 4.283 0 1 FIAF CO[C@@H]1Cc2sc(Cl)cc2C2(CCN(Cc3ccccc3)CC2)O1 84757455 NEODMSXUPRXVQZ-SFHVURJKSA-N 363.910 4.438 0 1 FIAF CC[C@@H](Cc1cc(F)cc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251353 IMDWWFBCGVBAMW-SFHVURJKSA-N 367.461 4.190 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(C)=O 118932721 DJJZPTWGFYVUFB-IYDISJPVSA-N 374.521 4.059 0 1 FIAF COc1cc2c(Cc3ccc4cccc(O)c4n3)cnc(C)c2cc1OC 145127272 GDUXRCYHAYEBJU-UHFFFAOYSA-N 360.413 4.405 0 1 FIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc2[nH]ccc2c1 167056252 QIHVDBLYIYTUQQ-RDTXWAMCSA-N 364.445 4.295 0 1 FIAF COc1cccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)c1O 169312290 KQBMYUNYMDGESD-UHFFFAOYSA-N 367.401 4.156 0 1 FIAF O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1O 169330878 BPKBNAOZMLWHGV-UHFFFAOYSA-N 353.368 4.232 0 1 FIAF CCOc1nc2ccc(OCCCOc3ccc(C(C)=O)cc3)cc2o1 299838181 LXGBAXYEVATOMU-UHFFFAOYSA-N 355.390 4.277 0 1 FIAF c1cncc(-c2noc(SCc3nc4ccc5c(c4[nH]3)CCCC5)n2)c1 586966967 OBMJESXRKNAOOX-UHFFFAOYSA-N 363.446 4.179 0 1 FIAF Fc1cc(F)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587029460 OZOVABPOQHZXBW-UHFFFAOYSA-N 367.384 4.363 0 1 FIAF CC(C)Oc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587040967 KXKIOLOVVIVZFM-MOPGFXCFSA-N 353.491 4.296 0 1 FIAF Cc1ccc2c3c(cc(C4=CC=CN5C=CN[C@H]45)nc13)-c1ccccc1C2=O 587097692 SCBAJOATFVIRCA-DEOSSOPVSA-N 363.420 4.368 0 1 FIAF Cc1cc(Br)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1F 587137939 SXEHVQGJJBJRQV-CQSZACIVSA-N 363.190 4.164 0 1 FIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(F)cc(F)c2[nH]1)C(C)(C)C 587203221 DLCJLJUQASLBAU-CYBMUJFWSA-N 353.413 4.323 0 1 FIAF Nc1ccc2oc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc2c1 587252253 UTXMRUCGRCFIAF-UHFFFAOYSA-N 372.178 4.019 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H]1CCOC1)CC2=O 587493834 WJEQEFCPTXNKEY-AOMKIAJQSA-N 352.430 4.242 0 1 FIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)cc(Cl)c12 587503304 DTPVTKDQNCTSGC-HXUWFJFHSA-N 371.795 4.171 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)n1 587552418 RLBFGRSMMXEVMP-APWZRJJASA-N 353.761 4.144 0 1 FIAF CC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606295 DKQWPDWTARHHMH-DENIHFKCSA-N 362.381 4.365 0 1 FIAF CC(C)(C)OC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656891 SZPCDEWKMOLUDC-UHFFFAOYSA-N 358.344 4.125 0 1 FIAF CC(C)N(C)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587738933 DMDQIOCRDHSSTF-SJCJKPOMSA-N 357.311 4.068 0 1 FIAF CC(C)COCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797600 WJKMJDZOFUYIHO-SJCJKPOMSA-N 358.295 4.400 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2C(C)(C)C)N1 587806862 WENUFEWEMCLTAQ-RFAUZJTJSA-N 366.278 4.232 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1OCC[C@@H]1C 587858366 GRERCNDIUXXXID-MGPLVRAMSA-N 369.248 4.321 0 1 FIAF CCCCCCn1c(C)nc2c(oc3nc(C(F)(F)F)ccc32)c1=O 653686894 FGHCHWLWUMLRMD-UHFFFAOYSA-N 353.344 4.445 0 1 FIAF CSc1nn2cc(-c3nc4ccc(OCC5CC5)cc4o3)nc2s1 653760634 KCCFVKNZVVMTBQ-UHFFFAOYSA-N 358.448 4.110 0 1 FIAF CC(C)C1=CC=C[C@@]2(C(=O)C1)c1ccsc1CCN2Cc1cccn1C 962375084 RKSGEYRNJARKET-QFIPXVFZSA-N 366.530 4.452 0 1 FIAF CC(C)(C)c1n[nH]cc1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962700796 KMWDSYQYQYVLAX-UGSOOPFHSA-N 359.514 4.299 0 1 FIAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CC[C@@H](O)CCC=C2 1857582147 BYSMYOUCOMWGGJ-INIZCTEOSA-N 356.418 4.302 0 1 FIAF CCCN1CCc2nc(=NCc3ccc(Oc4ccccc4)cc3)[nH]cc2C1 1857591759 HCTIYIVPDBBXRF-UHFFFAOYSA-N 374.488 4.071 0 1 FIAF Fc1ccc(-c2cc3[nH]c(=NCc4ccccc4)[nH]c3cn2)cc1Cl 1857620252 ORGWPACGZKKYPA-UHFFFAOYSA-N 352.800 4.451 0 1 FIAF Cc1ccccc1-c1nc2ccc(-c3nc4c(C)ncc(C)n4n3)cc2[nH]1 1857644557 OSPXTLOGZMHKNJ-UHFFFAOYSA-N 354.417 4.260 0 1 FIAF CC(C)c1ccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)on2)cc1 1857655770 MVYRRVVVGRVZJF-UHFFFAOYSA-N 372.371 4.421 0 1 FIAF CCCCCCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)nc(N)n1 1616799 FWZSHOKRDXTCOF-UHFFFAOYSA-N 366.387 4.453 0 1 FIAF O=C(O)/C(Cl)=C(\Cl)C(=O)Nc1ccc(Cl)c(Cl)c1Cl 1616819 VRNQMFCNEGRPNK-BQYQJAHWSA-N 363.411 4.359 0 1 FIAF O=S(=O)(Nc1cccc(F)c1)c1ccc2[nH]c(-c3ccccc3)nc2c1 2467976 XMUCYHLJRCHHPC-UHFFFAOYSA-N 367.405 4.170 0 1 FIAF Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c1nnc(SC(C)C)n21 2483750 OXBUEWJTODLPOZ-UHFFFAOYSA-N 370.503 4.212 0 1 FIAF Oc1c2c(nn1-c1ccc(F)cc1)c1ccccc1c[n+]2Cc1ccccc1 6575274 UHXUOEXHCXWAEN-UHFFFAOYSA-O 370.407 4.359 0 1 FIAF COc1ccccc1SC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579711 HAKGQTIMTQSQHY-KRWDZBQOSA-N 363.910 4.342 0 1 FIAF Cc1nc2cc(C(C)C)c(-c3ccc(Cl)c(OCCO)c3)cc2c(=O)[nH]1 13679450 SFLUCHRLEIGXBQ-UHFFFAOYSA-N 372.852 4.046 0 1 FIAF COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H]1O[C@]1(C)CCC=C(C)C 14776337 NHOWWFCRJNLVNU-HRAATJIYSA-N 374.433 4.093 0 1 FIAF biogenic Cc1cc2c(cc1OCCCN1CCN(c3ccc(F)cc3)CC1)CCC2 26573293 VPSQTCSZWVHPAL-UHFFFAOYSA-N 368.496 4.214 0 1 FIAF CCCc1c(OCc2ccc(C(=O)O)cc2OCC)ccc(C(C)=O)c1O 27903416 DDHOQNDQLHTYNO-UHFFFAOYSA-N 372.417 4.223 0 1 FIAF CCCN(c1c(C)cccc1Cl)S(=O)(=O)c1ccc(O)c(C)c1 28568592 IIISSMLZWGUIMJ-UHFFFAOYSA-N 353.871 4.268 0 1 FIAF Fc1ccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc1 29042435 SQWQKIUENAZSAY-UHFFFAOYSA-N 358.760 4.485 0 1 FIAF Nc1cc(F)cc(-c2ccc(O)c(C(=O)[C@H]3CCc4ccccc43)c2)c1O 35070250 VSEVSZZZZPLJHX-INIZCTEOSA-N 363.388 4.399 0 1 FIAF O=S(=O)(c1ccccc1)N1N=C2CCCC[C@H]2[C@@H]1c1ccc(F)cc1 43018638 ZSNSJUREWIYXSW-MJGOQNOKSA-N 358.438 4.118 0 1 FIAF COc1ccc([C@@H]2CC(Nc3nc4ccccc4s3)=NN2C(C)=O)cc1 45255729 SUVUPVNAQSAKNX-INIZCTEOSA-N 366.446 4.024 0 1 FIAF C[C@H]1C[C@@](C)(C(=O)c2ccc3c(c2)OCO3)C=C1c1ccc2c(c1)OCO2 72138222 IOSAAFIPMQXNTE-WHEQGISXSA-N 364.397 4.456 0 1 FIAF CCc1cccc(OCCSc2nc3ccccc3n2CCC(=O)O)c1 95594660 SGSJMVSDWSQWGB-UHFFFAOYSA-N 370.474 4.245 0 1 FIAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(Cl)cc2)C1=S 95872979 CWMPKYHZNLPTLM-UHFFFAOYSA-N 366.870 4.133 0 1 FIAF O=C(NC1(c2ccc(Cl)cc2Cl)CC1)[C@@H]1CCOc2ncccc21 205621978 CQACQEJBTZQGGL-GFCCVEGCSA-N 363.244 4.060 0 1 FIAF COC(=O)C1=CCC[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C 238759995 CCRPRTUMLVVFRR-RNEDXHKXSA-N 358.434 4.200 0 1 FIAF O=C(O)/C=C/c1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1 586878288 CBZMPZPDHQXXKK-AATRIKPKSA-N 361.170 4.229 0 1 FIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc3c(cc2[nH]1)OCCCO3 587026591 GCXNJMALBAJJKO-UHFFFAOYSA-N 367.430 4.340 0 1 FIAF Cc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1C 587132138 KVQASFWMEPRPOK-LBPRGKRZSA-N 351.397 4.149 0 1 FIAF Fc1c(F)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(F)c(F)c1S 587133929 FKJDSNFDGORBEH-UHFFFAOYSA-N 370.327 4.236 0 1 FIAF CC[C@H](Oc1ccccc1F)c1nc2cc(Br)cnc2[nH]1 587156269 RYKBCUZTFBNXMB-LBPRGKRZSA-N 350.191 4.390 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cccc(NC(=O)C(C)(C)C)c3)nc2c1 587242022 NOZZXBPRNFVSIM-UHFFFAOYSA-N 353.422 4.232 0 1 FIAF N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1cccc2ccccc12 587258756 SCTVWGIINVHZLQ-KRWDZBQOSA-N 359.429 4.120 0 1 FIAF COc1cccc(OC)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525500 PKUOLKNFSQRDQQ-QFIPXVFZSA-N 352.430 4.463 0 1 FIAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)o1 587616884 NKTNAEXUHVUFCV-WIYYLYMNSA-N 350.370 4.479 0 1 FIAF NC(=O)C1CCN(c2c(-c3ccc(Cl)cc3)[nH]c3cccc(F)c23)CC1 587632909 NNYZUGCAESTDHK-UHFFFAOYSA-N 371.843 4.329 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Cl)cc2F)N1 587731260 YQSNMADGNDQZCV-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cscn1 587866650 HZBNMVRABATBTC-UHFFFAOYSA-N 367.352 4.113 0 1 FIAF CO[C@H](C)COC1CCC(c2nc3cccc(Br)c3[nH]2)CC1 587952174 MGWDWFNBDZGXMD-PNESKVBLSA-N 367.287 4.403 0 1 FIAF O=C(Nc1cc(-c2cncnc2)cc(C(F)(F)F)c1)Nc1nccs1 653702460 YEHNXJMBZMNSPI-UHFFFAOYSA-N 365.340 4.263 0 1 FIAF CCCc1cccc2c(-c3cnc(-c4ccc(C(=O)O)cn4)s3)n[nH]c12 653795638 IYZMMPRJYCSQHZ-UHFFFAOYSA-N 364.430 4.399 0 1 FIAF COc1cc2c(cc1OC)[C@]1(Cc3ccc(Cl)cc3C1)N(C)[C@@H](C)C2 962637392 WTVJTXDYEGLQBQ-YEJXKQKISA-N 357.881 4.228 0 1 FIAF Cc1ccnc2c1CCN[C@@H]2[C@@H]1CCCCC=C[C@@H]1NC(=O)OC(C)(C)C 963078499 XSRVJQDJKUKWCX-WSTZPKSXSA-N 371.525 4.217 0 1 FIAF COc1ccccc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772628863 DSQUNTDMMZVRRA-MRXNPFEDSA-N 372.808 4.314 0 1 FIAF COc1ccc(C(c2ccc(OC)cc2)[S@@](=O)Cc2cncs2)cc1 1857555483 HSWOQDUPZXRKDS-VWLOTQADSA-N 373.499 4.199 0 1 FIAF CC=CC=CC=CC(=O)O[C@@H]1C=C2COC[C@]2(O)[C@]2(C)CCCC(C)(C)[C@H]12 2356438623 NBSRXDQGLXGTEV-MBWHEUGSSA-N 372.505 4.121 0 1 FIAF CC(=O)c1ccccc1N[C@H](c1nnnn1-c1c(C)cccc1C)C1CC1 206051374 HVQLJLPXFICYJK-IBGZPJMESA-N 361.449 4.045 0 3 FIAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3[C@H](O)[C@H](C)[C@@H]2C)cc1OC 14641111 WBRPUFHEMGUPKR-MOPVNIBJSA-N 372.461 4.172 0 1 FIAF biogenic CN(C)CCN1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 26166989 SWKNSXUOPQIFBP-GHRIWEEISA-N 372.553 4.165 0 1 FIAF O=C(O)COc1c(O)cc(-c2ccccc2)cc1OCc1ccccc1 28825956 OQSDDNQDWHMTKM-UHFFFAOYSA-N 350.370 4.102 0 1 FIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCc1ccncc1 28957093 RVXMXBMQJVIABA-UHFFFAOYSA-N 372.350 4.360 0 1 FIAF C[C@H]1N=C(S)N(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C(=O)O)c1 29331020 RMOFMQVZKGSODY-BMIGLBTASA-N 361.854 4.096 0 1 FIAF CCN(CC)CC(=O)N1CC(C)(C)Oc2c(C)c(C)c(Cl)c(C)c21 40980088 JJQSXQVSWIFIND-UHFFFAOYSA-N 352.906 4.111 0 1 FIAF Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)CS2)cc1 73279432 XGYONXNDSMGIDL-KRWDZBQOSA-N 369.877 4.429 0 1 FIAF CC(C)c1nc2c(NCc3ccccc3)ncnc2n1CCc1ccccn1 82181806 LMVPGDSRTPCAEX-UHFFFAOYSA-N 372.476 4.200 0 1 FIAF COc1cc(-c2nnc(SCc3ccc(F)cc3F)o2)ccc1O 84672233 LMUUBNBPNDPJHR-UHFFFAOYSA-N 350.346 4.021 0 1 FIAF N=C(N)SCc1ccccc1Sc1ccccc1CSC(=N)N 84690187 HSUFRFVNRNOTOR-UHFFFAOYSA-N 362.549 4.091 0 1 FIAF CCCCCn1c2ccccc2c2cc(C(=O)N3CCOCC3)ccc21 96938070 LTHKBEZTCNZXHJ-UHFFFAOYSA-N 350.462 4.457 0 1 FIAF C=C/C(C)=C\C[C@H]1[C@@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]21C 100781065 IEAUFJOLHRNYMW-DIARDMHFSA-N 364.526 4.015 0 1 FIAF endogenous,in-man CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(C)cc1 103530883 ZHOZBVAUYFZRSG-CQSZACIVSA-N 353.447 4.427 0 1 FIAF COc1ccc(S(=O)(=O)N2CCc3cccc(-c4ccccc4)c32)cc1 114321283 BXKYSVHTPSOYSW-UHFFFAOYSA-N 365.454 4.114 0 1 FIAF O=c1oc(-c2ccc3c(c2)OCCO3)cc(O)c1SCc1ccccc1 142149274 JFFNKJAWFVAUCN-UHFFFAOYSA-N 368.410 4.076 0 1 FIAF O=N[C@@H]1CCc2cc(-c3cn([C@@H]4CCC[C@@H]4O)nc3-c3ccncc3)ccc21 169686100 KWDGJDFHCLCZOX-NJYVYQBISA-N 374.444 4.452 0 1 FIAF CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@@H](O)[C@H](C)[C@@]12C 238762507 QFRZIEHLMQVWOP-PYSOZMQESA-N 360.450 4.138 0 1 FIAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1C[C@H]2CC[C@H]1C2 473233301 PDXXCGKDIOBOCD-KXOHGDPDSA-N 353.506 4.269 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc(C(F)(F)C(F)F)[nH]c3c2)cc1 587089101 IWOAYCTVCJTUBH-UHFFFAOYSA-N 368.286 4.499 0 1 FIAF COc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1C 587116757 AMGHVXLAQFMFOY-UHFFFAOYSA-N 350.344 4.021 0 1 FIAF Fc1ccc(-c2ccsc2-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587165152 KVTZCLRGNJOYKH-UHFFFAOYSA-N 362.393 4.073 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCCn3cccc32)[C@H]1c1ccc(F)cc1 587336117 JBFAKDHAJDMYJZ-RBBKRZOGSA-N 363.388 4.381 0 1 FIAF CN(C)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587339654 SHZXFYRQVPFYKN-PWOUQQLPSA-N 369.436 4.133 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cccn3)c(Cl)c1)O2 587377182 VDXNAYYJPXTULD-GOSISDBHSA-N 353.809 4.123 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(-c3ccccn3)nc1C)O2 587415129 XLXBTGLOHSWDGX-FQEVSTJZSA-N 365.458 4.285 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(OC4CCC4)c1)[C@@H](C2)C3=O 587424729 SYSJVTGXVYBUCO-BTYIYWSLSA-N 354.377 4.254 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccc(C)o4)s1)[C@@H](C2)C3=O 587452504 NQEMXYOCTWZUQN-KPZWWZAWSA-N 353.399 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1Cc1ccccn1)CC2=O 587470956 NPKJEOUMGKYHAS-OAQYLSRUSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC)c1OC)CC2=O 587477024 DIXDWBKHQFYDJB-LJQANCHMSA-N 356.418 4.459 0 1 FIAF COC(=O)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499396 ISLIJPGAHLCEFO-NRFANRHFSA-N 370.832 4.253 0 1 FIAF O=C1C[C@H](c2c(C(=O)O)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587526078 PMZVNLZJUKJISD-GOSISDBHSA-N 361.397 4.451 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1F 587566954 CNQJVEQWILLSBK-FXAWDEMLSA-N 354.308 4.373 0 1 FIAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1N 587581575 WIGZTQOLHWETGP-SIKLNZKXSA-N 361.397 4.160 0 1 FIAF CC[C@H](C)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587583409 VYOGQEDATKBEQU-LTBCBRHQSA-N 364.401 4.263 0 1 FIAF Cc1ccc2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 587585962 IZVVKWVUKRRBOA-UGKGYDQZSA-N 372.380 4.051 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccccc1OC2 587614537 CHAORXSRILNSPS-NZQKXSOJSA-N 374.392 4.118 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncoc3c2)N1 587777853 DEVHHBFTUHSTEK-HUTHGQBESA-N 361.214 4.353 0 1 FIAF Cc1c[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587794033 SLNRTWNVXGYRAP-BMLIUANNSA-N 351.263 4.331 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c([nH]2)CCCC3)N1 587806825 VZXOLKOXTBLVCV-XTZNXHDOSA-N 363.274 4.419 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C2CCC2)N1 587815570 NUFKJNITYWMRRK-BMLIUANNSA-N 354.263 4.097 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(C)c(Br)cnc2[nH]1 587930358 OSXZRIVNMZLLJG-KZULUSFZSA-N 372.266 4.483 0 1 FIAF COc1ccc(-c2cccc(-c3nc4cc(N)c(N)cc4[nH]3)c2C)c(OC)c1 587930690 UJXIBLFVPQFCLM-UHFFFAOYSA-N 374.444 4.387 0 1 FIAF COC(=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2n1 587951372 YYIAPISVLZAEMS-UHFFFAOYSA-N 359.385 4.128 0 1 FIAF CCOC(=O)c1ccccc1N=c1nc(-c2ccncc2)[nH]c2ccccc12 653702315 WUJNKDCSFACRDM-UHFFFAOYSA-N 370.412 4.034 0 1 FIAF COc1ccccc1[C@@]1(c2cc(C)ccn2)NCCc2ccc(F)c(C)c21 962296786 HIYKFRXSQRKQJI-QHCPKHFHSA-N 362.448 4.284 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1cccc(Cl)c1)(C1CCC1)NCC2 962934140 VAYIMAVRZVLBHC-QFIPXVFZSA-N 368.908 4.231 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@]31c2cc(Cl)ccc2C[C@@H]1C 963051777 ZEACDFCIOVWQKL-XMHCIUCPSA-N 364.876 4.478 0 1 FIAF COc1ccc(NCCNc2ccnc3cc(Cl)ccc23)cc1OC 1772633733 VXKPJYKEIYUNIO-UHFFFAOYSA-N 357.841 4.429 0 1 FIAF CCOC(=O)c1cc2c([nH]c3ccc(OC)cc32)c(-c2ccc(O)cc2)n1 1857539330 ZYANPOUQUMVXBY-UHFFFAOYSA-N 362.385 4.274 0 1 FIAF C[C@@]12CC3(C(=O)NC4CCNCC4)CC(c4ccccc4)(C1)C[C@](C)(C3)C2 1911573454 BUJUYPGJSRWWBV-KFGJODCASA-N 366.549 4.173 0 1 FIAF CCCN(CCC)c1ccc([C@H](O)c2nnc(-c3ccccc3)o2)cc1 2659907 BOGKBNUNSFVUEA-IBGZPJMESA-N 351.450 4.445 0 3 FIAF COc1ccc(C[C@@H](N)c2csc(Nc3ccc(C(C)=O)cc3)n2)cc1 61895619 RUATTXSFTQBPRB-GOSISDBHSA-N 367.474 4.340 0 3 FIAF COC(=O)c1ccccc1CSc1c(O)cc(-c2ccccc2)oc1=O 6482709 NFAHMRNMLQFERA-UHFFFAOYSA-N 368.410 4.091 0 1 FIAF CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccc(OC)c3)nnc1-2 35090994 RIUWGLZQTGMKRH-UHFFFAOYSA-N 363.465 4.051 0 1 FIAF C[C@H](CNC(=O)c1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1 43010688 BEGYXVLZNHMYPI-MRXNPFEDSA-N 359.425 4.157 0 1 FIAF O=C(NC1C2CC3CC(C2)CC1C3)N1CCC[C@@H](Cc2ccccc2)C1 45390989 MURFOEYIMQOXKM-JOYQUEBISA-N 352.522 4.475 0 1 FIAF CCc1cnc(-c2cnc(NCCOC)nc2-c2ccc(F)cc2)s1 82165032 HRFGUONXMAEYJT-UHFFFAOYSA-N 358.442 4.027 0 1 FIAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCC3CC3)ncnc21 82180026 VRXJEKRDDFKWHK-CYBMUJFWSA-N 351.454 4.067 0 1 FIAF C[C@H]1Oc2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)ccc2NC1=O 96274151 IOEFGYJFRPPBNM-CQSZACIVSA-N 368.864 4.349 0 1 FIAF O=C1C[C@H](C2c3ccccc3-c3ccccc32)C(=O)N1C(=O)c1ccccc1 103278032 MUSPVYGXEARRIY-HXUWFJFHSA-N 367.404 4.014 0 1 FIAF CN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 198836790 XKQLEHAUNQHZBK-LJQANCHMSA-N 374.444 4.269 0 1 FIAF COC(=O)C1=CCC[C@]2(C)O[C@H]2CCC(C)=C[C@]2(C)OC(=O)C(C)=C2CC1 299811545 FHHKQTZHOLIJSW-NYVOZVTQSA-N 374.477 4.176 0 1 FIAF N[C@H](Cc1nc2cnc3ccccc3c2[nH]1)c1ccc(Br)cc1 586997148 NVYXAUKAOTXZRG-CQSZACIVSA-N 367.250 4.116 0 1 FIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc3ncccc3c2[nH]1 587116239 AIVWFXXIBHVIBA-UHFFFAOYSA-N 351.719 4.184 0 1 FIAF O=C1C[C@@H]2C[C@@]3(C[C@@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587348579 DLLIAGYDQHUJBZ-INEOQGJTSA-N 366.388 4.018 0 1 FIAF COc1cc(Cl)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1OC 587375994 BFNXMQUUVRVOIC-LJQANCHMSA-N 361.825 4.128 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(Cl)nccc4c1)[C@@H](C2)C3=O 587423797 ZKGJNNWSSHOTAT-KXBFYZLASA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCCC4)c(F)c1)[C@@H](C2)C3=O 587427263 RMOZOXVRTRRVJD-AOMKIAJQSA-N 367.420 4.097 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](C2)C3=O 587440093 NYPIIEKFYIARPF-JXFKEZNVSA-N 366.413 4.139 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3ccnc3)cc1)CC2=O 587471203 OVSKVXLINIPPLD-JOCHJYFZSA-N 362.429 4.411 0 1 FIAF CCCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc(O)c(CCC)c3O1)C(=O)N2 587478742 BOPVPFGBQFTTFM-QFIPXVFZSA-N 365.429 4.110 0 1 FIAF Cc1[nH]nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Br 587502310 KMAVEUDCZYYVRG-CQSZACIVSA-N 361.239 4.066 0 1 FIAF CN(C)CCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504504 JSJUINHDFWNMKB-JOCHJYFZSA-N 365.473 4.212 0 1 FIAF COCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587523694 OMDPLDCSCAQCRN-OAQYLSRUSA-N 368.429 4.003 0 1 FIAF CC(C)COc1cccc(OCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587566113 VYFAGVAKBZJZFD-UHFFFAOYSA-N 365.433 4.061 0 1 FIAF Cc1c(Br)ccc2nc(CCOc3ccc(C=O)cc3)[nH]c12 587566367 JEYNSTJCVLHNJO-UHFFFAOYSA-N 359.223 4.068 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)ccc12 587573511 ZDUMCKGVTNZIQZ-DENIHFKCSA-N 362.356 4.335 0 1 FIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)cc1O 587605914 BOHCJRXKLSIGRJ-UGKGYDQZSA-N 362.381 4.418 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1scnc1Cl 587619759 VAJBINZNDUYNHX-IUODEOHRSA-N 359.790 4.205 0 1 FIAF CCCCn1c(-n2ncc3ccc(Cl)cc3c2=O)nc2ccccc21 587653440 WKMBOFPEIQBJED-UHFFFAOYSA-N 352.825 4.189 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2F)N1 587725616 FOMIOACFNPJQII-HUTHGQBESA-N 368.221 4.231 0 1 FIAF CCn1c(C)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587755315 OSNDZGDHVCXFQJ-BMLIUANNSA-N 351.263 4.342 0 1 FIAF CCCOc1cc2nc(CCOCC3CC3)[nH]c2cc1Br 587784623 SODRLPVJCXMMAZ-UHFFFAOYSA-N 353.260 4.083 0 1 FIAF COc1ccccc1C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587805078 DCCQDYJTNZUJBS-IAQYHMDHSA-N 364.258 4.415 0 1 FIAF O=N[C@H]1/C(=C2/C(=O)Nc3cc(Br)ccc32)Nc2ccccc21 957575782 WFRDXNRAUPBBTO-JNINTMOKSA-N 356.179 4.046 0 1 FIAF CN(Cc1cccc(Cl)c1)c1cc(C(=O)Nc2ccccc2)ncn1 1772598328 FLCDLYJWSMOBDI-UHFFFAOYSA-N 352.825 4.019 0 1 FIAF C[C@H](O)C=CCC=CC[C@H](O)C=CC=CCC=CCC=CCCC(=O)O 2356389058 FRJZMMUVPROLHN-LEWJYISDSA-N 360.494 4.491 0 1 FIAF COc1cc(C[C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@H](C)[C@H]2C)ccc1O 2356638522 HXXQPTLVFPWDAK-IDWBVSAESA-N 356.418 4.084 0 1 FIAF CC1=C[C@H](CN(C)Cc2cccnc2)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356709245 UXHLQCSYSLXQGJ-NJYVYQBISA-N 368.525 4.302 0 1 FIAF CN(C)CCNc1nc(Cc2ccccc2)nc2sc3c(c12)CCCC3 752865 ZNNZTXIFTFNXJH-UHFFFAOYSA-N 366.534 4.134 0 1 FIAF CN1CCC(c2c[nH]c3ccc(NC(=O)Nc4ccc(F)cc4)nc23)CC1 13523768 ZUEGCTDXCINXIG-UHFFFAOYSA-N 367.428 4.155 0 1 FIAF Cc1noc(C)c1CN(C(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 13636197 VVZGPQIKDROWTH-FCEWJHQRSA-N 355.507 4.361 0 1 FIAF CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2F)cc1 13814343 YILCDOBCWWTHSF-UHFFFAOYSA-N 366.480 4.493 0 1 FIAF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@H](OC(C)=O)[C@]3(C)CC[C@@H]21 15204492 VQHQLBARMFAKSV-MLBCHFTJSA-N 356.462 4.400 0 1 FIAF O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccc3ccccc3c2)CC1 28766305 SJRARVTUGYVYHO-FGZHOGPDSA-N 363.505 4.141 0 1 FIAF COc1ccc(Sc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 34820516 RWLFVILYTQHYRD-UHFFFAOYSA-N 374.412 4.107 0 1 FIAF C[C@H](Nc1ccnc(-n2cnc3ccncc32)n1)c1ccc(Cl)cc1 36348863 YHZMGOWCNDVVNF-LBPRGKRZSA-N 350.813 4.037 0 1 FIAF Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c21 64245767 BVFBTDPKGZCIBA-UHFFFAOYSA-N 359.389 4.405 0 1 FIAF Cc1cccc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)c1 64637959 KDNOIKAVFYIBPH-GOSISDBHSA-N 352.434 4.300 0 1 FIAF C[C@H](Nc1cc(N2CCC[C@@H](C(C)(C)O)C2)ncn1)c1ccc(Cl)cc1 82154235 MHZCCOSHJBQIHU-GOEBONIOSA-N 374.916 4.290 0 1 FIAF O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(C(F)(F)F)cc2N1 101151073 JPQSCPHZJNQZLD-UHFFFAOYSA-N 370.334 4.354 0 1 FIAF CN(C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C1CCC1 144696702 DDZNXWPEFLHERY-LJQANCHMSA-N 361.363 4.090 0 1 FIAF Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(-c5ccncc5)n4)cc23)cc1 164849345 PIEJGAHDXPQKQU-UHFFFAOYSA-N 356.364 4.216 0 1 FIAF CN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)[C@@H](O)c2ccccc21 169346094 CJFCYSLHIHOZLA-QFIPXVFZSA-N 357.453 4.168 0 1 FIAF O=C(OC[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1)c1ccccc1 169359707 SPPHJQRBMCMDGZ-UIKSIQRRSA-N 365.498 4.471 0 1 FIAF FC(F)(F)Oc1ccc(CN2CCO[C@@H](CCc3ccccc3)C2)cc1 206690721 RXEIDFSWABFHSZ-IBGZPJMESA-N 365.395 4.419 0 1 FIAF Cc1n[nH]c(C)c1C(=O)NC[C@H]1CC[C@@H](CCOc2ccccc2)CC1 253666879 HEEWGYXGISXOMO-HDICACEKSA-N 355.482 4.032 0 1 FIAF Cc1cc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Br 586978090 WSTQKCDMYMJHHJ-UHFFFAOYSA-N 373.250 4.386 0 1 FIAF O=C(O)c1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1F 587020665 AHOOJTBPSKSGFY-UHFFFAOYSA-N 353.378 4.115 0 1 FIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3nc(Cl)ccc3[nH]2)s1 587023910 WTYVMRAFSOVTDH-UHFFFAOYSA-N 351.819 4.082 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3Cc4ccccc4S3)nc1-2 587042111 HYJVHALXBVIGAY-MRVPVSSYSA-N 356.760 4.366 0 1 FIAF C[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](n2cncn2)C1 587104808 JSJJECRTOWCHMU-DJJJIMSYSA-N 366.424 4.209 0 1 FIAF CCOc1cc(/C=C/c2nc3cc(OC)ncc3[nH]2)ccc1OC(F)F 587130694 OBXOSCMWJAQIHF-FNORWQNLSA-N 361.348 4.137 0 1 FIAF COc1c(F)ccc(-c2nc3cc(Br)cc(C)c3[nH]2)c1N 587132841 IZERRKULLCXQKZ-UHFFFAOYSA-N 350.191 4.031 0 1 FIAF Oc1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587182049 COBDDTYMNCODAT-UHFFFAOYSA-N 370.577 4.194 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCc3cnccc32)[C@@H]1c1ccc(F)cc1 587344865 HNGWKVAQSOUWCM-IRLDBZIGSA-N 361.372 4.127 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1c(Cl)[nH]c4ccccc14)[C@@H](C2)C3=O 587423829 ZQEFKEWBBVMGFX-RBZFPXEDSA-N 353.805 4.493 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)cc1Br)[C@@H](C2)C3=O 587429025 RLDUJHMKKXEKSJ-YVEFUNNKSA-N 363.182 4.086 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1coc4ccc(OC)cc14)[C@@H](C2)C3=O 587455296 LTPACJNJMGJHJQ-YCRPNKLZSA-N 350.370 4.113 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1[C@@H](C(=O)OC(C)(C)C)C1(C)C)CC2=O 587484901 OPCWJJGBHWOGRU-KSZLIROESA-N 374.477 4.292 0 1 FIAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]2CN(Cc2ccccc2)C1 587518723 OFVZPHYSBGUGAW-PMACEKPBSA-N 373.496 4.421 0 1 FIAF C[C@]1(c2nc3ccccc3[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587071 FKRSAVCHMADXSO-GCJKJVERSA-N 372.380 4.146 0 1 FIAF Cc1[nH]c2c(C)cc(Cl)cc2c1CCN1C(=O)c2ccccc2C1=O 587627250 QVIVFLZLENXYSZ-UHFFFAOYSA-N 352.821 4.277 0 1 FIAF CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1cccnc1 587644329 UZROCDSOAFSKMG-ZDUSSCGKSA-N 350.418 4.484 0 1 FIAF COc1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc(OC)c1O 587786449 UDRYJKGBAFETDM-UHFFFAOYSA-N 374.396 4.184 0 1 FIAF COc1ccc(C=O)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587786626 JEOKNVWSBJBSSO-UHFFFAOYSA-N 365.614 4.467 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(F)ccc1F 587868523 NYICRGDICRJHFJ-UHFFFAOYSA-N 355.266 4.240 0 1 FIAF CC(C)[C@@H]1C[C@]2(CS1)NC1(CC1)Cc1ccc(Br)cc12 961615602 QJIJSBFIWSRGKA-DOTOQJQBSA-N 352.341 4.484 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]21CCCC[C@H]1N1CCSCC1 963094724 CXLNROQAUPMSAZ-CEWLAPEOSA-N 360.542 4.033 0 1 FIAF Cn1c(C(=O)Nc2cccc(OCc3ccncc3)c2)cc2sccc21 1772656165 GXBHKOLQVFLATK-UHFFFAOYSA-N 363.442 4.466 0 1 FIAF O=C(O)Nc1cccc(CNc2cc(Br)cc3[nH]ncc23)c1 1857545728 DMEHLOTXOYPORC-UHFFFAOYSA-N 361.199 4.027 0 1 FIAF COc1ccc(-c2nnc(C[C@@H]3C[C@H](C(C)C)[C@H](CO)C=C3C)o2)cc1 2356574366 XQJHZSOKBXQFEE-JENIJYKNSA-N 356.466 4.135 0 1 FIAF CCCCCCC(=O)N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199717710 IOVVMRQTZMZANW-GOSISDBHSA-N 364.917 4.308 0 3 FIAF CC1(C)CC(=O)[C@H](C[C@H]2COC(C)(C)CC2=NNc2ccccc2)CO1 4064347 HPBUPLSCXWKXPB-JKSUJKDBSA-N 358.482 4.044 0 1 FIAF biogenic Cc1cc(C)c(NC(=O)c2sc(NC(=O)c3ccoc3)nc2C)c(C)c1 14952060 NDGAIAXCKCMONN-UHFFFAOYSA-N 369.446 4.474 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C[C@H](CCCCC(=O)O)C[C@H]2C[C@H]1O 26723269 IWUKYVZELFRNIB-IHBGPHRISA-N 352.515 4.152 0 1 FIAF Fc1cc(-c2cccc(Cl)c2)cc(-n2nnc(-c3ccccn3)n2)c1 28455549 QQOGRKFTARLUGX-UHFFFAOYSA-N 351.772 4.184 0 1 FIAF CNCCNCc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1 45195889 UXYPWGRRVLWRNX-UHFFFAOYSA-N 362.502 4.267 0 1 FIAF CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CC4)cc3)n[nH]2)c1 66075034 XCCKQXYDJJDHMQ-UHFFFAOYSA-N 374.488 4.134 0 1 FIAF Cc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccco2)o1 82166051 SBIOWOMQVCLYTH-UHFFFAOYSA-N 364.380 4.494 0 1 FIAF COc1ccc(C(=O)N(C)c2nc(-c3ccccc3)cs2)cc1OC 95583031 LPJNOSGCPACSMA-UHFFFAOYSA-N 354.431 4.104 0 1 FIAF CC(C)(CN)c1nc(-c2ccncc2)c(-c2ccc3c(c2)CC[C@@H]3N=O)[nH]1 169686162 OMJMHTPIOZMTTC-KRWDZBQOSA-N 361.449 4.129 0 1 FIAF CN1c2ccc(F)cc2C(=O)N2CCn3c(cc4cc(Cl)ccc43)[C@H]21 221966998 MQTJWWGBZFQRFR-SFHVURJKSA-N 355.800 4.038 0 1 FIAF CC1(C)COc2c(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cccc21 586912922 XWMSSCIUFCSXMV-UHFFFAOYSA-N 368.746 4.314 0 1 FIAF Cc1cc2c(Br)ccc(-c3nc4cnc(Cl)[nH]c-4n3)c2o1 587003288 IEAKGAHNAMXUCN-UHFFFAOYSA-N 363.602 4.442 0 1 FIAF FC(F)(F)Oc1cccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587017500 XHCIVYJLUJEOJJ-LLVKDONJSA-N 355.341 4.437 0 1 FIAF FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(F)c(Br)c2[nH]1 587088915 UUCLXZQRZHHZQU-SSDOTTSWSA-N 360.177 4.214 0 1 FIAF FC(F)(F)c1ccccc1Cc1nc2ccnc(Br)c2[nH]1 587097010 GLCVBWQSLDILFS-UHFFFAOYSA-N 356.145 4.330 0 1 FIAF COc1c(F)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1F 587134473 GTJWIQIQLXOYDZ-UHFFFAOYSA-N 374.572 4.328 0 1 FIAF CC(=O)c1ccc(-c2cc(-c3nc4cc(N)c(N)cc4[nH]3)ccc2F)cc1 587139458 KFHBJAKRMZFBKT-UHFFFAOYSA-N 360.392 4.403 0 1 FIAF O=C(Nc1cccc(-c2nc3cnc(Cl)[nH]c-3n2)c1)c1ccc(F)cc1 587164056 VTPWNXBNABDPJJ-UHFFFAOYSA-N 367.771 4.016 0 1 FIAF Cc1cncc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587191411 UNTZNSJKTWXLMF-QGZVFWFLSA-N 352.438 4.223 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(OC(F)(F)F)c1)O2 587381166 CKAQSMWASCYAIW-AWEZNQCLSA-N 355.287 4.321 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1cccc(N)c1)CC2=O 587473536 XEJDHUNMLJEROF-HSZRJFAPSA-N 374.440 4.231 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3c1cnn3C)CC2=O 587475918 NPPAHZLWMYHHBY-NRFANRHFSA-N 350.418 4.112 0 1 FIAF Nc1cccc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574644 GDEUOOOGKICAQY-REWPJTCUSA-N 373.408 4.168 0 1 FIAF CCCCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576538 JHYOULXKXYBNSM-XLIONFOSSA-N 364.401 4.092 0 1 FIAF C[C@@]1(c2ccc3nc[nH]c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586688 CSULYIFTSSGDPV-UGKGYDQZSA-N 372.380 4.146 0 1 FIAF COCC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596338 NPQBQHLRPPNVJZ-LAUBAEHRSA-N 356.418 4.175 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(Oc1ccccc1)C2 587600723 PLUICPLPOUVBKB-VRVFXRSRSA-N 374.392 4.334 0 1 FIAF Cc1ccc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587608890 NCYLXLMKZRTPDA-AVRDEDQJSA-N 362.381 4.418 0 1 FIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587612627 MFIQVNBRUQGYMX-QFBILLFUSA-N 354.383 4.165 0 1 FIAF CCOC(=O)c1c(-c2cc(F)c(F)cc2F)[nH]c2c(C(=O)O)cccc12 587637207 DTQAGBRJZYFPCW-UHFFFAOYSA-N 363.291 4.127 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3nccc-3c2)N1 587800111 AAVDEOMEGGKXGN-MLCYQJTMSA-N 374.257 4.214 0 1 FIAF COc1ccc(C[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587805066 DBESAZXOEOCTSJ-BDJLRTHQSA-N 364.258 4.415 0 1 FIAF CCO[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587811189 NJGFVRNOILHEMQ-JECHBYEQSA-N 356.279 4.297 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]2OC2CCC2)N1 587814031 XNTWCMDTWTXTDL-VMDBXTETSA-N 354.263 4.049 0 1 FIAF COC(=O)c1cc(OC)n(CCCc2ccc(Cl)c(Cl)c2)c1OC 587943303 VEPDTLWBBYXCQW-UHFFFAOYSA-N 372.248 4.232 0 1 FIAF CC(=O)O[C@@H]1CC=C(C)C[C@H](O)[C@@H]2[C@H](C(C)(C)O)CC[C@@]2(C)C=C[C@@H]1C 2356384109 LDLGSJAYMQJUJA-JJTMOKNESA-N 364.526 4.015 0 1 FIAF COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1ccc3ccccc3c1C2=O 5923240 VODISZCOJIVBTN-XXBNENTESA-N 370.408 4.354 0 1 FIAF O=C1C[C@@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21 12356172 KOJOODSKKCAJQB-CQSZACIVSA-N 371.477 4.227 0 1 FIAF CCc1c(Sc2ccc(Cl)cc2Cl)[nH]c2nc(N)nc(N)c12 14967431 XKVVPTFQWNVHEG-UHFFFAOYSA-N 354.266 4.143 0 1 FIAF COC(=O)c1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 27330169 SSXZXOKSPXHWPG-UHFFFAOYSA-N 372.376 4.018 0 1 FIAF CCCCC[C@H](OC)[C@@H](O)[C@@H](/C=C/CCCCCCCC(=O)O)OC 33820463 MQWZCHDMBWJFTK-OUZDTWSUSA-N 358.519 4.329 0 1 FIAF CN1CC=C(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)[C@@H](F)C1 34806264 NVDMKYLBUHWKOC-INIZCTEOSA-N 354.454 4.334 0 1 FIAF N=C(N)c1ccc(-c2ccc3[nH]c(-c4ccc(C(=N)N)s4)cc3c2)cc1 71294423 CCUVPCISWGLIMG-UHFFFAOYSA-N 359.458 4.132 0 1 FIAF CCN(CC)C(=O)[C@H]1CCCc2c1c1cc(OC)c(F)cc1n2CCF 73197023 QMMGEIMAWWFSFZ-ZDUSSCGKSA-N 364.436 4.047 0 1 FIAF CCCCN(C(=O)c1ccccc1F)c1nnc(-c2cccnc2)s1 84604306 KCEMFWGNOKFZSD-UHFFFAOYSA-N 356.426 4.186 0 1 FIAF CO[C@@H]1Cc2ccccc2[C@@]2(CCN(CCCCc3ccccc3)C2)O1 84730019 GCZKQSXITDZRGB-GOTSBHOMSA-N 351.490 4.156 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(CCc3ccccc3)cc2)C[C@H]2CC[C@H]1N2C 100921485 XCAGZFQBRONDCI-SSGKUCQKSA-N 363.501 4.211 0 1 FIAF CON1C(=O)C(c2c(C)cc(C)cc2C)=C(OC(=O)CC(C)(C)C)C1(C)C 103181821 UQAVOSTZGLBPEM-UHFFFAOYSA-N 373.493 4.485 0 1 FIAF CC(C)Oc1cc(F)cc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)c1 145433955 UYLDCVPESWFMHG-UHFFFAOYSA-N 352.369 4.393 0 1 FIAF CCCCCCN1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@H]1c1ccccc1 198496957 DSBYUZJTGKLKIL-FKBYEOEOSA-N 368.525 4.085 0 1 FIAF CCCCn1c(/C=C/c2ccc(OC)c(OC)c2)nc2ccccc2c1=O 299862281 MYQIECKGYGBACE-ACCUITESSA-N 364.445 4.384 0 1 FIAF Cc1c(-c2nc3c(F)cc(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 586905692 YVVSGEFSFQVKGG-LLVKDONJSA-N 365.202 4.403 0 1 FIAF Oc1nccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586975234 KFGNUOZIHOAOSU-UHFFFAOYSA-N 359.010 4.400 0 1 FIAF COc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C(F)(F)F)c1 587097347 JVJIYQUCGPVYSR-UHFFFAOYSA-N 354.259 4.095 0 1 FIAF CN(C)CCOc1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587175607 WBQHONXGEOOVQA-UHFFFAOYSA-N 372.831 4.444 0 1 FIAF Cc1ccnc2[nH]c(/C=C\c3cccc(I)c3)nc12 587183992 NBCXGTPPCRPQID-WAYWQWQTSA-N 361.186 4.041 0 1 FIAF COC[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349343 PMMFENMVFBFMSF-TZIWHRDSSA-N 358.409 4.322 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCC(=O)Cc1ccc(F)cc1)O2 587386573 ZYLZNGUFHCLIQM-QGZVFWFLSA-N 355.409 4.032 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cc(C)ccc1C)O2 587387657 RDLCZGPPWRDVNU-HYGBKTPJSA-N 350.462 4.130 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([C@H](C)C(=O)O)cc1)(C(C)C)O2 587409430 TZTNKPQLGGTCPJ-FPTDNZKUSA-N 367.445 4.282 0 1 FIAF COc1sc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587410475 NLQFNGWZQMTBPX-LBPRGKRZSA-N 368.252 4.116 0 1 FIAF CCOC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl 587419583 FFRVTCAWEADELK-KUHUBIRLSA-N 372.804 4.014 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1c(F)ccc(Cl)c1F)[C@@H](C2)C3=O 587427769 VEFBHSICFZWASF-YPMLDQLKSA-N 350.748 4.290 0 1 FIAF COc1cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1OC 587524943 NPXMMBKMVNJEOW-QGZVFWFLSA-N 368.429 4.303 0 1 FIAF COc1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601261 RSSKYZKHUDKABT-NZQKXSOJSA-N 374.392 4.204 0 1 FIAF COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2c(C)cc(Cl)cc12 587624347 GZJKYNVENNNPNS-UHFFFAOYSA-N 363.747 4.431 0 1 FIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1cccc(Br)c1 587636656 BNVAQSNNQWTTGR-UHFFFAOYSA-N 373.206 4.189 0 1 FIAF COc1ccccc1C(=O)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637616 DNHOQFVVXPMLOU-UHFFFAOYSA-N 363.291 4.125 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)c3ccccc32)N1 587769039 MEAHPWJECGANSB-HXPMCKFVSA-N 373.269 4.330 0 1 FIAF Cc1cccnc1C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587772838 PCFWUNWORVFHKR-XIKOKIGWSA-N 363.274 4.284 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cccnc32)N1 587779422 SFOKMCSBCRHQSB-ZMZPIMSZSA-N 361.258 4.097 0 1 FIAF CC[C@H](C)OC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796310 UAYWKRZWGIUHLA-PSVSLLHZSA-N 372.278 4.069 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CC(C)(C)C2)N1 587823762 RKFGEAZJRXHXRD-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCCC(=O)O)N1 587825725 DXUHANJAAXVXPH-GTNSWQLSSA-N 372.278 4.373 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C(=O)O)cc1 587863417 ZZQBESGHHDHNNT-UHFFFAOYSA-N 362.307 4.265 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CC[C@H]1CCCN1C 587866492 LRBGZEMTAIDWAT-MRXNPFEDSA-N 367.415 4.452 0 1 FIAF CSc1ccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1 587925293 RBQHUJQVZIKXCC-UHFFFAOYSA-N 351.460 4.175 0 1 FIAF CC(=O)[C@@H]1CCC[C@]12c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962626486 GYOBGULUEXMQBF-WPFOTENUSA-N 360.501 4.018 0 1 FIAF C[C@@]1(Cc2ccccn2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962633210 GFNTXVXPKLXMIR-ILBGXUMGSA-N 369.512 4.286 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCOc3c(F)ccc(F)c32)N1 962944771 FEYSAROXEWYQDG-XUSGNXJCSA-N 354.400 4.397 0 1 FIAF O=C(Nc1ccn2cc(-c3ccc(F)c(F)c3)nc2c1)N1CCCCC1 1772571058 XGLZSAAPKFDNQS-UHFFFAOYSA-N 356.376 4.297 0 1 FIAF COc1cccc(Cc2nc(C)c(-c3ccc(C(N)=O)c(C)c3)s2)c1 1772616702 HSNLLRHJMVGRMB-UHFFFAOYSA-N 352.459 4.125 0 1 FIAF O=C(Nc1ccccc1)Nc1cccc(CCNc2nc[nH]c3nccc2-3)c1 1857545685 NJEDGYHSYHYSAM-UHFFFAOYSA-N 372.432 4.208 0 1 FIAF NC(=O)c1sc2nccc(Oc3ccc(Cl)cc3Cl)c2c1N 1857547586 KXLIACGGFRZPKN-UHFFFAOYSA-N 354.218 4.077 0 1 FIAF COc1cc(-c2cnc3cnc(-c4cccs4)cn23)cc(OC)c1OC 1857577447 VIKDUOXUHKHETE-UHFFFAOYSA-N 367.430 4.151 0 1 FIAF CCc1cccnc1N1CCC(C(=O)Nc2ccc(OC)c(Cl)c2)CC1 1857606921 BBJNJFMWWVMTOE-UHFFFAOYSA-N 373.884 4.161 0 1 FIAF COc1ccc(Nc2nccc(-c3sc(SC)nc3C)n2)c(OC)c1 1857631645 PMOLMLWGGBKZML-UHFFFAOYSA-N 374.491 4.391 0 1 FIAF O=C(NCc1ccccc1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61904288 LMELAXFPQWZKNU-IBGZPJMESA-N 364.832 4.022 0 3 FIAF CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@@H]1N1CCCC1 6018038 NINALMVLNXJRJC-MSOLQXFVSA-N 369.336 4.401 0 1 FIAF CCc1cc2c(c3c1CCCC3=O)C[C@]1(Cc3ccc(C(=O)OC)cc3C1)C2 6371687 NQUYVMQFSNLBQJ-VWLOTQADSA-N 374.480 4.438 0 1 FIAF COc1ccc2c(c1)c(CC(=O)Nc1ccncc1)cn2Cc1ccccc1 13556577 AMMFQPDZEUVMQH-UHFFFAOYSA-N 371.440 4.274 0 1 FIAF Cc1ccccc1Nc1c(C(=O)C(C)C)cnc2c(OCCO)cccc12 13742263 QENXJWSHHFOMOI-UHFFFAOYSA-N 364.445 4.497 0 1 FIAF COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc3c[nH]nc3c2)n1 26388347 NHIUGIZOQBBOGQ-UHFFFAOYSA-N 366.812 4.008 0 1 FIAF Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(N(C)C)c2)n1CC1CC1 28954326 SJUXAWUFNBYRHO-XDOYNYLZSA-N 371.550 4.373 0 1 FIAF CC[C@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 29469803 BQLQSIRUAFRJJC-NSXWQBIQSA-N 367.533 4.369 0 1 FIAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC[C@@H](O)[C@@H](C)CC/C=C/2 40848074 NDOUUJAOZBANGT-IAMJVPPYSA-N 362.466 4.223 0 1 FIAF CNCCNCc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 45228833 SVRCCVJELHSCIM-UHFFFAOYSA-N 362.502 4.267 0 1 FIAF O=C(O)C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 48999474 SCQHVECWBAHHHV-HXUWFJFHSA-N 372.852 4.380 0 1 FIAF CC1=CC2=NC[C@H](C(=O)c3ccc(-c4ccc(C(=O)O)cc4)cc3)CN2C=C1 49803392 JWHHDEYCGOMQIW-FQEVSTJZSA-N 372.424 4.038 0 1 FIAF CN1CCN(C2=Nc3ccc(F)cc3Nc3sc4ccccc4c32)CC1 67961478 ILMHNKKMKWQVCE-UHFFFAOYSA-N 366.465 4.423 0 1 FIAF investigational CCOC(=O)C[C@@H](C)NCc1coc(-c2ccc(Cl)cc2Cl)n1 72101355 NFRGFEPUPSYXNT-SNVBAGLBSA-N 357.237 4.080 0 1 FIAF Fc1ccc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3)cc2)cc1 100107571 LOASXRAPWWMBQD-UBRQYEGLSA-N 358.460 4.433 0 1 FIAF N#C[C@H](c1ccnc(OCc2ccccc2)n1)c1nc2ccccc2s1 116419167 YPLNLOJZEWIBMR-OAHLLOKOSA-N 358.426 4.321 0 1 FIAF COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3scnc23)c1 167795699 KYGZYRKIUIUSHB-UHFFFAOYSA-N 351.387 4.295 0 1 FIAF CCOC(=O)c1sc(Nc2ccc3c(c2)OCO3)nc1-c1ccccc1 299859599 FZMIJBQKAFGBFO-UHFFFAOYSA-N 368.414 4.459 0 1 FIAF Cc1c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)oc2c1[C@@H](O)CCC2 586905400 NRMWUUDQZNCSER-JTQLQIEISA-N 352.312 4.400 0 1 FIAF O=S(=O)(/C=C\c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1 586925232 XJGORNYBMRMCPT-KTKRTIGZSA-N 352.337 4.026 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccnc1CC3 586988651 UTUGCQOVSDXXDB-UHFFFAOYSA-N 350.377 4.312 0 1 FIAF Cc1nc(COc2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)cs1 587020770 XWMYBAAESPEWRV-UHFFFAOYSA-N 365.458 4.109 0 1 FIAF COc1cc(/C=C/c2nc3c(N)ccnc3[nH]2)cc(Cl)c1OCC(C)C 587046945 PRNIPYKZXSVDQO-SNAWJCMRSA-N 372.856 4.407 0 1 FIAF Cc1ccnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 587115796 AWNPIXLZVNRLBG-UHFFFAOYSA-N 357.133 4.110 0 1 FIAF Fc1ccc(S)cc1-c1nc2ccc(I)cc2[nH]1 587140973 LMXXFEYDTGCHIH-UHFFFAOYSA-N 370.190 4.262 0 1 FIAF CC[C@H](Oc1ccccc1F)c1nc2ccnc(Br)c2[nH]1 587155867 NOGDKBSXKMAFIA-NSHDSACASA-N 350.191 4.390 0 1 FIAF Fc1ccc(-n2nnc(-c3nc4cc(F)c(F)cc4[nH]3)c2C2CC2)cc1 587168217 GCKUVVVXCMYOCI-UHFFFAOYSA-N 355.323 4.105 0 1 FIAF C[C@]1(c2cccc(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338043 QKASBPYZLVYXNG-IFMALSPDSA-N 363.388 4.388 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc3nc(C)nc(C)c3c1C)O2 587415356 RRLMSSBLSKNJPE-HXUWFJFHSA-N 367.474 4.388 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCN(Cc3ccccc3)C1)CC2=O 587481874 YAKLMDSMBYDNSD-VGOFRKELSA-N 365.473 4.201 0 1 FIAF COc1c(F)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587718736 JHYFNXWZDYWFJZ-JDNHERCYSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(F)ccc32)N1 587735495 UTCHDLFCBFJGOX-MLCYQJTMSA-N 364.233 4.451 0 1 FIAF CC(C)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)co1 587771285 BUBLIVIGEDURPK-PSLIRLAXSA-N 353.235 4.323 0 1 FIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 587784016 CRJMBWVXGIOGOL-WDEREUQCSA-N 362.216 4.208 0 1 FIAF COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587805819 GFKBJFWATWENFA-QGHHPUGFSA-N 350.231 4.220 0 1 FIAF CC(=O)C[C@@]1(C2(C)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587814051 FSMHORBYOJMTOO-BMLIUANNSA-N 354.263 4.097 0 1 FIAF Cc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850976 GZJDKEJKJQWUMT-VPTHRUTESA-N 369.303 4.459 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccc2n1C 587863306 XSFFZZNJLCWTEZ-UHFFFAOYSA-N 372.350 4.453 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@H]1CCCC[C@H]1C 587872752 PXFTWXAWRJJUDH-CJNGLKHVSA-N 361.486 4.389 0 1 FIAF CC1=NC(=S)N[C@H](c2cccc(Br)c2)/C1=C(/O)OC(C)C 621474200 LUIPKEMJZVTPOI-NXXVSJRMSA-N 369.284 4.034 0 1 FIAF COC12C[C@@H]3CC(NC(=O)N4CCCCC4)(C[C@H](C1)c1ccccc13)C2 653798400 LVSWTAZKSGGMKF-RGMRCXJASA-N 354.494 4.165 0 1 FIAF Fc1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cn1 962642878 VGBRVBVFIQQHTO-REWPJTCUSA-N 359.448 4.057 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cc(-c2ccc(F)cc2)on1 963259807 UTTULZQQRLRLSU-LJQANCHMSA-N 358.800 4.378 0 1 FIAF NC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCCCC3)cc2n1 1857576285 BKCJCXXUNNRHOU-UHFFFAOYSA-N 369.465 4.187 0 1 FIAF Cc1c2c(=O)oc3ccc(Br)cc3c2nn1-c1ccccc1 1857635573 GQPFYLKQKXBNKL-UHFFFAOYSA-N 355.191 4.203 0 1 FIAF CC=Cc1cc(OC)cc(O[C@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)c1 2356704087 HEOFBSZBJUOVBA-SPLOXXLWSA-N 358.434 4.246 0 1 FIAF CCOc1ccccc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579609 AXFYZIQGQSZFPB-SFHVURJKSA-N 361.869 4.019 0 1 FIAF Cc1cc(C)cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C)c1 13736186 SCUCGLNZVOAIMC-NRFANRHFSA-N 350.462 4.001 0 1 FIAF C[C@H](c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12 28825760 LATGPIQQXVEMKX-QGZVFWFLSA-N 371.484 4.412 0 1 FIAF Cc1ccc(S(=O)(=O)c2cc(O)c(Sc3ccccc3)c(C)n2)cc1 40379569 QDXNNZJHLNQYRP-UHFFFAOYSA-N 371.483 4.388 0 1 FIAF Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@H]2c2ccc(F)cc2)cc1 43010161 HXRAAZYXPJURRL-UYAOXDASSA-N 372.465 4.426 0 1 FIAF CCN(CC)c1ccc([C@H]2CC(=O)c3cc(OC)c(OC)cc3O2)cc1 45353774 TYEDVPJERXVZQE-GOSISDBHSA-N 355.434 4.257 0 1 FIAF C/C(=C/CNCCC(=O)O)c1ccc(OCCCc2ccccc2)cc1 59615990 LPVUWRPVJHEUFU-AQTBWJFISA-N 353.462 4.166 0 1 FIAF COc1ccc(Oc2nc(NC3CCCCC3)nc(N3CCCC3)n2)cc1 82066850 PTMHGPOZAUDNKJ-UHFFFAOYSA-N 369.469 4.017 0 1 FIAF Cc1cccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C2=NC(=O)CS2)c1 95575521 DINGLXQCPYVJND-IBGZPJMESA-N 363.486 4.392 0 1 FIAF CC(=O)CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@@H]2C1 299849134 RSJLDQKWMAAKHL-OQKQNWQXSA-N 373.500 4.024 0 1 FIAF CCN(CC)c1ccc(CCNC(=O)c2[nH]c3ccc(F)cc3c2C)cc1 299869507 UUUUKDIKVIQJQX-UHFFFAOYSA-N 367.468 4.434 0 1 FIAF Cc1nccc2[nH]c(COc3ccc(Cl)cc3Br)nc12 586976166 LRXKLSNAKLLPSF-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF CCc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 587029567 QCRSJWPEQBSNKT-UHFFFAOYSA-N 350.447 4.275 0 1 FIAF C[C@@H]1CCC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587353840 PEKRZBNCWQIBBD-ICNNEYJISA-N 354.377 4.018 0 1 FIAF CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC)c1 587442020 NVTBIIWINNEGMF-VGSWGCGISA-N 368.429 4.155 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)cnc1N)CC2=O 587464116 ISDZUCASDQEODF-OAHLLOKOSA-N 366.339 4.047 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(CCOC)c1C)CC2=O 587471754 UCNSSQPDODUFHI-HXUWFJFHSA-N 357.450 4.116 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](C(=O)c1ccc(SC)cc1)CC2=O 587494826 YVFRLRFVTXVJSY-SFHVURJKSA-N 356.443 4.283 0 1 FIAF O=C1C[C@H]([C@]2(c3cccc(F)c3)CCOC2)Oc2c1ccc1c2CCCC1 587502913 IRFFBCDAVGJFMZ-FYYLOGMGSA-N 366.432 4.397 0 1 FIAF CCOC(=O)[C@@H]1CCCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525730 RNRGARKZLHIBTD-PGRDOPGGSA-N 356.462 4.413 0 1 FIAF Cc1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(S)n1 587532861 PJRLAMFNHLAGRL-HXUWFJFHSA-N 354.475 4.142 0 1 FIAF Cn1cc(-c2csc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)cn1 587536549 WBYFCBHSDYITEY-GOSISDBHSA-N 365.458 4.129 0 1 FIAF COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599984 JUDVLXIXVZFQQK-KNQAVFIVSA-N 362.381 4.278 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(C(C)(C)C)c2)N1 587761445 UIIJNCCVPMNNLZ-QFYYESIMSA-N 366.278 4.163 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2NCC3)N1 587789181 AJQUWHYUORTVIQ-MGNBDDOMSA-N 361.258 4.180 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2C=O)N1 587846672 VJYHFDHJHCDPIF-RMLUDKJBSA-N 354.244 4.086 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1 587870539 LVPGLJRWVLQDBY-CYBMUJFWSA-N 372.371 4.335 0 1 FIAF CCn1c([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)nc2ccccc21 962639132 YADMTRAHCPXJFL-SPLOXXLWSA-N 365.477 4.039 0 1 FIAF CN1CCc2c(Br)cccc2[C@@]12CCc1ccc3c(c12)CCO3 963282834 YLRKVOQXHNYVKU-HXUWFJFHSA-N 370.290 4.062 0 1 FIAF CC(C)N1C(=O)S/C(=C\c2ccc(-c3nc4ccccc4[nH]3)o2)C1=O 1857560375 ZRKIAZWZDGXLOI-DHDCSXOGSA-N 353.403 4.268 0 1 FIAF Fc1ccc2c(c1)CCN(c1cccc(-c3nc4cc(F)ccc4[nH]3)n1)C2 1857611220 WSDDFZFZFHEOEM-UHFFFAOYSA-N 362.383 4.466 0 1 FIAF CCN(CC)Cc1cccc(-c2cc(=O)c3cc(OC)c(OC)cc3o2)c1 1857775401 OCSRLKMGXWXVMW-UHFFFAOYSA-N 367.445 4.319 0 1 FIAF COc1ccc(C[C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@H](C)[C@@H]2C)cc1OC 2356549870 HZLWUWRGPZGQLG-GZAFZTIPSA-N 370.445 4.387 0 1 FIAF CSc1ccc(C(=O)[C@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1 13595414 JMKYGLITQYQCCJ-INIZCTEOSA-N 373.547 4.015 0 3 FIAF COc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1OC 2468485 CDBZPBXXFHEQSW-KUHUBIRLSA-N 374.824 4.127 0 1 FIAF Cc1c(F)c(Oc2cccc(O)c2)nc(Oc2cccc(C(=N)N)c2)c1F 13474027 GGQDWVMIRHYMNR-UHFFFAOYSA-N 371.343 4.242 0 1 FIAF C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@H](O)C(C)(C)Cl 14587277 LJKOFXGMGDOURN-RTGRKSDTSA-N 350.842 4.277 0 1 FIAF endogenous,in-man O=C(NCCc1c[nH]c2ccc(O)cc12)Oc1ccc(C(F)(F)F)cc1 14979778 SKUUVNSSRZHULF-UHFFFAOYSA-N 364.323 4.223 0 1 FIAF FC(F)(F)c1ccc2ccn(CCN3CCCN4CCCC[C@@H]4C3)c2c1 22940031 NQTQBHKGMLJHTR-GOSISDBHSA-N 365.443 4.220 0 1 FIAF COc1cccc(CN2CCC(C(=O)c3nc4ccccc4s3)CC2)c1 27857660 IRNUMHPICHMPTD-UHFFFAOYSA-N 366.486 4.400 0 1 FIAF CN(CCN1CCN(c2ccc(F)cc2)C1=O)CC12CCC(CC1)C2(C)C 43078108 MLUVBFQPCVSGBZ-UHFFFAOYSA-N 373.516 4.216 0 1 FIAF COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](C)[C@H]2C)ccc1O 49031230 VEFZLUCJNOJAGR-SEDUGSJDSA-N 358.434 4.084 0 1 FIAF biogenic O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2c3ccccc3OC[C@H]2N2CSC[C@H]12 64549632 KDCQCGGUCBRGEZ-FPAYPSAMSA-N 371.889 4.072 0 1 FIAF Cc1oc(-c2ccccc2C(=O)O)cc1C(=O)Nc1nc2c(s1)CCC2 72181107 AQXWWHSITOSSMU-UHFFFAOYSA-N 368.414 4.151 0 1 FIAF O=C(C[C@H](SC(=S)N1CCOCC1)c1ccccc1)c1ccccc1 84596793 OJVMSXSOQMQEPM-IBGZPJMESA-N 371.527 4.351 0 1 FIAF C[C@@H]1OC(=O)[C@@H](CCCCCCCCCc2ccc3c(c2)OCO3)[C@H]1O 85953852 ZWEUPJIIEPMLOM-KNBMTAEXSA-N 362.466 4.001 0 1 FIAF biogenic COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@H](N2CCCC2)[C@H]1C)OCO3 105518586 GUTQDDXXUDZPIR-GAQQMNMRSA-N 367.445 4.006 0 1 FIAF Nc1n[nH]c2nc(-c3ccccc3)nc(-c3ccc(Br)cc3)c12 169307012 QWXYJSHOLFPGFK-UHFFFAOYSA-N 366.222 4.032 0 1 FIAF COc1ccccc1N1C(=O)CS[C@@H]1c1cccc(Br)c1 169342620 HJFNHWZGKTWNSJ-MRXNPFEDSA-N 364.264 4.236 0 1 FIAF CCOc1cc(/C=C\c2nc3cncc(OC)c3[nH]2)ccc1OC(F)F 587130002 IVMAFCOLYFGPJG-ALCCZGGFSA-N 361.348 4.137 0 1 FIAF NC(=O)c1cccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587162425 AWJYSZXMHSFKCV-RVDMUPIBSA-N 363.417 4.451 0 1 FIAF COc1ccc(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587378204 SMAUMCCWAYFUSP-INIZCTEOSA-N 362.223 4.055 0 1 FIAF Cc1ccc([C@]2(Cc3ccncc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587395380 QMTUJKOZMASKJC-QHCPKHFHSA-N 358.441 4.384 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)c(-c3ccccc3)n1)CC2=O 587470155 ISMZYYPSKBBTGM-FQEVSTJZSA-N 362.429 4.452 0 1 FIAF C[C@]1([C@@H]2Cc3ccccc3C(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587530468 CFILIUMPEAMMNY-NZQKXSOJSA-N 362.425 4.071 0 1 FIAF O=C1C[C@H](c2cnc(-c3cnccn3)s2)Oc2c1ccc1c2CCCC1 587534527 CEXWFOQPQFASDG-QGZVFWFLSA-N 363.442 4.185 0 1 FIAF CC(C)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587742821 UDPANTXVANCADU-OPWVJEHFSA-N 355.295 4.049 0 1 FIAF COCCC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 587793568 NPNZDDRMASKUHY-ZBEGNZNMSA-N 356.279 4.370 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3[nH]ccc23)N1 587800159 APTAFELRAAGBOQ-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF Cc1ccccc1C(=O)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587813732 DPJVZOVKHDIJIX-DIFFPNOSSA-N 362.242 4.355 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CC3(CCC3)C2)N1 587817012 HFXPBMCLCPAHGA-BBATYDOGSA-N 366.274 4.241 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cncc(Br)c2[nH]1 587929507 KIXUGBZTYILBMK-APPDUMDISA-N 358.239 4.174 0 1 FIAF COc1ccc(-c2cc(C(=O)NC[C@H](C)c3ccccc3)co2)cc1OC 621431153 UOLYDLUYSPPICS-HNNXBMFYSA-N 365.429 4.497 0 1 FIAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1nc2ccccc2[nH]1 962691681 AQPCFGOPOADKEI-DJJJIMSYSA-N 353.466 4.155 0 1 FIAF O=C(O[C@H]1CCCc2nc(Nc3ccc(F)cc3)sc21)n1ccnc1 1857771881 UAJWEEWNVYHCNA-AWEZNQCLSA-N 358.398 4.285 0 1 FIAF CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccccc2)O3)cc1 61930127 PXCIFQNXDBAXOO-QHCPKHFHSA-N 373.456 4.147 0 3 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 4049879 IXVBSMCQCSRJDQ-PKOBYXMFSA-N 374.843 4.487 0 1 FIAF COC(=O)CCCCCCCCCCCC[C@]1(O)OC(=O)C(C)=C1C 13460887 WEYHQMXMAXDFSN-FQEVSTJZSA-N 354.487 4.422 0 1 FIAF biogenic CCCCC[C@@H](O)[C@@H](/C=C/[C@@H](CCCCCCCC(=O)O)OC)OC 33820470 NMFUHXXKMLKRGE-BWHNKTFFSA-N 358.519 4.329 0 1 FIAF C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36153217 GQECVTUOELTXTC-ZTXCVJHISA-N 359.510 4.312 0 1 FIAF Clc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl 71341147 ILMOSFWQTVSMOP-UHFFFAOYSA-N 354.628 4.235 0 1 FIAF O=c1c(O)c(C(c2ccccc2)c2ccccc2)oc2cc(O)cc(O)c12 72180990 WVSMOJKFFRYGMO-UHFFFAOYSA-N 360.365 4.090 0 1 FIAF CCCCN(CCCC)CCNC(=O)c1coc(-c2ccccc2C)n1 82074868 OHRJITISCROUKU-UHFFFAOYSA-N 357.498 4.282 0 1 FIAF CCCCC[C@H](O)/C=C\[C@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O 95911016 XZFRIPGNUQRGPI-CRWVRLEXSA-N 350.499 4.072 0 1 FIAF in-vitro CCCCc1nc2c(cc1-c1ccc(Cl)cc1)C(=O)[C@H](N)C(S)=N2 101003472 AVLAMFLAKXOXNJ-HNNXBMFYSA-N 359.882 4.228 0 1 FIAF COc1ccc(OC)c(/C=C/c2nnc(SC)n2-c2ccc(C)cc2)c1 103193507 HVGLXJIYKCVMCC-KPKJPENVSA-N 367.474 4.485 0 1 FIAF Cc1cc(C)cc(C(=O)NC(=S)Nc2c(O)cc(C)c(Cl)c2C)c1 113641691 MBMVVLWJEXWRCB-UHFFFAOYSA-N 362.882 4.406 0 1 FIAF C[C@]1(c2cccc(Nc3cccc4cc(Cl)cnc34)c2)COCC(N)=N1 143166894 MISZEAYFRRVHET-HXUWFJFHSA-N 366.852 4.234 0 1 FIAF CSc1nn(-c2ccccc2)c2cc(C(=O)C[C@H]3CCCN3)ccc12 166560326 NEPBFYSAZWVNRA-OAHLLOKOSA-N 351.475 4.072 0 1 FIAF Cc1c(Br)cc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1C 586917439 QIQMCBVVIBDGBZ-HNNXBMFYSA-N 359.223 4.455 0 1 FIAF Cc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1F 587142650 JGGODUKEBZNKSQ-CYBMUJFWSA-N 366.209 4.155 0 1 FIAF Cc1nc2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2cc1Br 587149981 IOHUHSHPGGLSIP-QMMMGPOBSA-N 368.181 4.447 0 1 FIAF Cc1cncc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587191408 UNTZNSJKTWXLMF-KRWDZBQOSA-N 352.438 4.223 0 1 FIAF CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H](C2)C1)CC5 587212327 NISRMISQDQYGCA-HIFRSBDPSA-N 350.462 4.230 0 1 FIAF CC[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 587393022 FOVCKQJKDQVGRW-SZNDQCEHSA-N 374.481 4.091 0 1 FIAF CCOC(=O)C[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526236 SHTJEYOENRUIQX-OPAMFIHVSA-N 356.462 4.413 0 1 FIAF C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571423 OECWDOVUSYLCTH-GHTZIAJQSA-N 350.345 4.408 0 1 FIAF Cc1ccnc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587589396 VLAMONPLQPXSTR-DENIHFKCSA-N 361.397 4.059 0 1 FIAF COc1ccc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587720671 TVOQYGWGGCQKQM-XYZCENFISA-N 368.221 4.360 0 1 FIAF CCn1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587755205 GSJWXYROCBOYAV-HUTHGQBESA-N 366.278 4.045 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2CC2)(C2CC2)N1 587815973 RXCFHEAYQAROPP-XTZNXHDOSA-N 366.274 4.097 0 1 FIAF COc1cccc([C@H](C)Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587932295 SBLQDGIAXKKTPI-CYBMUJFWSA-N 350.397 4.243 0 1 FIAF Nc1cccc(Br)c1-n1c(O)cc(-c2ccc(F)cc2)c1O 587934909 KFDDEXGNBKJTRL-UHFFFAOYSA-N 363.186 4.039 0 1 FIAF CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccc(OC)c2ccccc12 617980739 VAKNWDNQXHDRCU-GROYHEBESA-N 356.447 4.045 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1c(Cl)cccc1OC 963269259 HGVPVDJLPJIAHN-GOSISDBHSA-N 352.261 4.420 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(C)c(C)c3)C2)cc1 1772640131 XGKAQOWPLZYPIG-HTAPYJJXSA-N 352.478 4.158 0 1 FIAF COc1ccc([C@@H]2C=C(c3cccc4ccccc34)N=C3NN=CN32)cc1 1857619452 IWLZFMVSYDNNEY-NRFANRHFSA-N 354.413 4.149 0 1 FIAF CC(=O)NC[C@H](O)CCCC=C(C)C=C(C)c1ccc(C)cc1C=CCO 2356832104 JTQUQUWBJKBFMF-JOCHJYFZSA-N 371.521 4.017 0 1 FIAF CC(C)c1ccc(-c2nc(N3CCCCCC3)nc3n[nH]c(N)c23)cc1 13110796 AHIWFLODAFTAFK-UHFFFAOYSA-N 350.470 4.106 0 3 FIAF c1cncc(CNc2ncnc3ccc(-c4ccc5c(c4)OCCO5)cc23)c1 36380625 JEBBAUQIOXUGTI-UHFFFAOYSA-N 370.412 4.075 0 3 FIAF COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NC(C)C 775384 IETDGOMFCDCMTG-UHFFFAOYSA-N 354.381 4.295 0 1 FIAF c1cncc(-c2cc(N3CCc4ccccc4C3)nc(-c3cccnc3)n2)c1 1497984 WEAGHJBBGAUHCK-UHFFFAOYSA-N 365.440 4.163 0 1 FIAF O=C(C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1)C1CCCCC1 13475359 ODAZBZGOTQMIEQ-FQEVSTJZSA-N 369.505 4.109 0 1 FIAF COc1ccc([C@]2(Cn3ccnc3)OC[C@H](c3ccc(Cl)cc3)O2)cc1 28767725 DIHFXLARMUCKOT-WOJBJXKFSA-N 370.836 4.186 0 1 FIAF COc1cc2occ(-c3ccc(N4CCCC4)cc3)c(=O)c2cc1OC 45351655 KJFTVNFZEUSHFY-UHFFFAOYSA-N 351.402 4.077 0 1 FIAF CN(C)CC[C@]1(c2ccc(Br)cc2)Cc2ccccc2C(=O)O1 53244091 HGKMSJPGZIMPFQ-LJQANCHMSA-N 374.278 4.009 0 1 FIAF O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2c3ccccc3OC[C@H]2N2CCC[C@H]12 64573595 IUEXTMRTZMMISL-JYBIWHBTSA-N 353.849 4.162 0 1 FIAF COc1ccc(-c2cc(-c3ccccc3)no2)c(OCCCC(=O)O)c1 71295881 IYEGVMAMDJDMCE-UHFFFAOYSA-N 353.374 4.261 0 1 FIAF CCC[C@H]1CN(c2ccc(OC)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 72138502 KAMOTDUDGVKTOA-JXFKEZNVSA-N 366.461 4.103 0 1 FIAF CCn1cnc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2c1=O 95577947 BTZVUGIPNPWOIT-UHFFFAOYSA-N 350.809 4.362 0 1 FIAF Cc1ccc(NC2=NN(C(=O)COc3cccc(C)c3)C(C)(C)S2)cc1 103172327 QLFFGAQWPUGEIC-UHFFFAOYSA-N 369.490 4.377 0 1 FIAF CC(C)n1cnc2c(Nc3ccc(-c4cncnc4)cc3)nc(Cl)nc21 103186943 ZUVCFDIRJGFVPT-UHFFFAOYSA-N 365.828 4.261 0 1 FIAF CC[C@@](C)(O)CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 169332220 TWFSWDWKVQOONY-ADHNFCLRSA-N 357.538 4.248 0 1 FIAF Oc1ccc2[nH]cc(CCN3CCN(c4cccc5ccccc45)CC3)c2c1 169339882 LGZBUKYZDPMWQV-UHFFFAOYSA-N 371.484 4.391 0 1 FIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cc(Cl)cc(Cl)c1 169369423 ILHUURNQKXQSLQ-JWUUKUSXSA-N 352.261 4.033 0 1 FIAF Cc1cc(C)nc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)n1 212144819 CMZUIMLWPJBJQW-UHFFFAOYSA-N 365.412 4.332 0 1 FIAF COc1ccc(OC(=O)[C@H]2[C@H](c3ccc(C)cc3)C[C@H]3CC[C@H]2N3C)cc1 253640157 IUPUVKOJONOTAC-YCZSINBZSA-N 365.473 4.176 0 1 FIAF CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN2CCc3ccccc3C2)CC1 261095891 FJLFQHMTMGDZCN-IYARVYRRSA-N 358.526 4.376 0 1 FIAF Cc1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2n1 586959103 IRHLRKFUAHLUQQ-AREMUKBSSA-N 361.470 4.305 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2ccc(F)c(F)c2[nH]1)C(F)(F)F 587091886 HLCCOELRKXHDDT-INIZCTEOSA-N 371.309 4.004 0 1 FIAF Nc1ccnc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587110193 OWCMVRJGYCXLLH-UHFFFAOYSA-N 360.261 4.169 0 1 FIAF Cc1cc(C)c2[nH]c(Cc3ccc(NC(=O)c4cnoc4C)cc3)nc2c1 587245362 UQUOGXMWFINDRF-UHFFFAOYSA-N 360.417 4.319 0 1 FIAF CC(C)OCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344017 BDSSRVPGYWWXDO-PZJWPPBQSA-N 358.409 4.464 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3ccc(Br)cc31)O2 587374898 ZWKNVLHYARENDO-SFHVURJKSA-N 373.250 4.016 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCc4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O 587420886 HZXONUPNUOXZEU-KXBFYZLASA-N 360.331 4.303 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@@]1(c3cccc(F)c3)CCOC1)CC2=O 587465099 AILPVVGYWHBLKO-UNMCSNQZSA-N 370.420 4.176 0 1 FIAF O=C(O)CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520550 FHBAVXBCTQGMHZ-FQEVSTJZSA-N 366.413 4.125 0 1 FIAF CCCOc1cccc(Cc2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1 587571077 ZBKGAFWSURGEIA-UHFFFAOYSA-N 358.825 4.383 0 1 FIAF CCc1cccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587938 OSCASWFPRUHIOH-GCJKJVERSA-N 361.397 4.227 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cn(C)nc3c2)N1 587757309 GYWSNXVVXMDVAY-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF CCOc1ccccc1-c1cccc(-c2nc3cc(C(=O)OC)ncc3[nH]2)c1 587780414 SIFQOHLWFIOZHF-UHFFFAOYSA-N 373.412 4.477 0 1 FIAF COc1ccsc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587848140 ZYVBEWURCQIPIR-ABKXIKBNSA-N 370.287 4.456 0 1 FIAF Cc1csc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587852888 NXQLWWNVSSXUPB-GLEZIHRCSA-N 355.276 4.151 0 1 FIAF COc1ccc([C@@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1C 962573563 SNBIYAGTXNPTCX-NYHFZMIOSA-N 355.478 4.161 0 1 FIAF CC(C)(C)C(=O)[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962958163 NJRVLGRWJGZFTH-HNNXBMFYSA-N 355.400 4.013 0 1 FIAF CCOC(=O)C[C@@]1(c2ccc(OC)c(C)c2)NCCc2c1sc(C)c2C 963012787 QXINNLMYFWCZCL-NRFANRHFSA-N 373.518 4.024 0 1 FIAF Cc1ccc([C@]2(CCCCCC(=O)O)NCCc3ccc(O)cc32)cc1 963340266 GHTKLMBBEODEIL-QFIPXVFZSA-N 353.462 4.125 0 1 FIAF OCc1ccc2c(-c3cccc4c3CNC4=S)cn(CCC(F)F)c2c1 1857585760 CVYAYSSQUICKQI-UHFFFAOYSA-N 372.440 4.235 0 1 FIAF COC(=O)c1cc2c([nH]c3ccc(NC(=O)c4cccs4)cc32)c(C)n1 2382258470 DIQGAXOQNVOFFU-UHFFFAOYSA-N 365.414 4.125 0 1 FIAF O=c1[nH]cnc2c1sc1nc3c(c(-c4ccc(Cl)cc4)c12)CCC3 13108887 SZYNPELIRSEDJL-UHFFFAOYSA-N 353.834 4.342 0 3 FIAF C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1ccccc1Cl 61903478 BELZNYVOGURZNB-NRFANRHFSA-N 365.864 4.491 0 3 FIAF CN(C)CCCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1 13472541 SXFHYOPBKFNFKX-UHFFFAOYSA-N 361.445 4.211 0 1 FIAF O=C(c1cccc2ccccc12)N1CCC(NCCc2ccccc2)CC1 28707252 VGXBMRGDUSWYTH-UHFFFAOYSA-N 358.485 4.277 0 1 FIAF FC(F)(F)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 28958730 NKQJCLKNNXPMEE-UHFFFAOYSA-N 369.350 4.422 0 1 FIAF Oc1cccc(C[C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)c1 29475140 FJHXLNUHQQYPLJ-DEOSSOPVSA-N 358.485 4.498 0 1 FIAF CC(C)(C)Oc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)cc1 84732157 KTDFBWQFAWZEDP-UHFFFAOYSA-N 356.447 4.218 0 1 FIAF CCOC(=O)[C@@H]1[C@@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1ccccc12 100665534 SZFUOECQXGHHAE-ZCCVYIOPSA-N 361.463 4.052 0 1 FIAF COC1=CC[C@@H]2C(=C1)[C@@H]1c3cc(OC)ccc3C[C@@H]2N(CC2CC2)[C@@H]1C 100931819 MKXNFBCGAIGPNB-OGFXBJFLSA-N 351.490 4.294 0 1 FIAF O=S(=O)(c1ccc2oc3c(c2c1)CNCC3)c1cccc2ccccc12 143456796 OYBSYEIGIJHMIS-UHFFFAOYSA-N 363.438 4.065 0 1 FIAF COC(=O)C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)c1ccc(Cl)cc1 169335489 HUPNVHDGKCDLFZ-OAHLLOKOSA-N 374.849 4.123 0 1 FIAF CC(=O)OC[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169365299 BLJIZPWSKVXUMY-GCDWJCPYSA-N 366.288 4.423 0 1 FIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCCN3C(C)=O)cc12 226060463 KEEQEQWRCBFXKG-SFHVURJKSA-N 353.397 4.061 0 1 FIAF Cc1cc(Br)cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 586908197 QRRKBBPVMCMWAG-JTQLQIEISA-N 359.223 4.215 0 1 FIAF C[C@@H](Sc1ncccn1)c1nc2c(Br)cnc(Cl)c2[nH]1 586960858 CTYYZSDNKHBCRS-ZCFIWIBFSA-N 370.663 4.017 0 1 FIAF COc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1Cl 587039658 HJKXLTTVBNOCKX-LBPRGKRZSA-N 369.874 4.207 0 1 FIAF COc1cc(Cl)ccc1-c1nc2c(C)c(Br)cnc2[nH]1 587066170 GTPHDQGIALAUJI-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF Clc1ccc2ccn(Cc3nc4ccc(Br)nc4[nH]3)c2c1 587079255 BVHLTYHWFKRKMC-UHFFFAOYSA-N 361.630 4.377 0 1 FIAF Oc1ncnc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159843 VUYLJQLXIJVRIP-HNNXBMFYSA-N 370.771 4.019 0 1 FIAF Oc1ccc(I)cc1-c1cc2c3c(cccc3n1)CC2 587212361 GWRUNUDXXDPGLZ-UHFFFAOYSA-N 373.193 4.311 0 1 FIAF CC[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358000 PHGUEOQLRLAETN-RBBKRZOGSA-N 370.420 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](OCc3ccccc3)C[C@H]1F)O2 587383369 SHDBOXDBPDVPOH-SAWYMBPVSA-N 369.436 4.389 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)cc3c1O[C@@H](C)C3)CC2=O 587483334 FHAAKYDQYGLNNG-FKIZINRSSA-N 368.429 4.383 0 1 FIAF CSc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587533725 VCZROGBTHVIFGT-OAQYLSRUSA-N 365.454 4.100 0 1 FIAF CCc1cc(O)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609702 PDYWLICELLMOKO-SIKLNZKXSA-N 362.381 4.363 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(O)c2F)N1 587720684 TYZFTGYRTLEJQF-GYKQLYQFSA-N 372.184 4.196 0 1 FIAF CCCC[C@H](CO)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587820153 AGOCSHHRMLZNFJ-CJBNDPTMSA-N 358.295 4.136 0 1 FIAF CCC1(CC)OC[C@H]([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)O1 587843857 UTUBXGGCROMGJW-OWRWGESLSA-N 372.278 4.095 0 1 FIAF CO[C@H](c1cncs1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587856215 WWECDHSJUANVSK-KBOAJJQZSA-N 371.275 4.008 0 1 FIAF COc1ccc(Cn2c(C(=O)N3CCCCC3)cc3sccc32)cc1 653795671 RLXCOIVPYYZSEV-UHFFFAOYSA-N 354.475 4.386 0 1 FIAF c1cncc(CN2CCc3sccc3[C@@]23CCc2[nH]c4cccnc4c23)c1 962999901 ZRWHDJMMVSXECV-JOCHJYFZSA-N 372.497 4.268 0 1 FIAF COc1ccc(-c2ccc([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)o2)cc1 963033134 PUTUWLNRLQHYTD-IQMFZBJNSA-N 374.440 4.098 0 1 FIAF O=c1c(Cc2ccccc2)c[nH]c2c(-c3ccc4ccccc4c3)cnn12 1772594391 ZBZGZYSNCXYSDT-UHFFFAOYSA-N 351.409 4.434 0 1 FIAF COc1cccc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c1OC 1772639528 YUNVHQSVLSQZCF-MRXNPFEDSA-N 369.442 4.434 0 1 FIAF COc1ccc([C@](C)(O)c2nc(-c3ccc(O)cc3)nc3ccccc23)cc1 1911576551 YXIJMMADJQJZEB-QHCPKHFHSA-N 372.424 4.267 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)C[C@@]3(c4ccoc4)OC[C@]14C(C)=CCC[C@@]24O3 2356458005 FZQSAOXOUTXHTL-LOZMKZQPSA-N 372.461 4.326 0 1 FIAF COc1ccc(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)cc1Cl 5058784 LRAJPVZXPFGEHR-UHFFFAOYSA-N 363.841 4.109 0 3 FIAF Cc1c(C(=O)N[C@H](c2ccccn2)C(F)(F)F)oc2c(F)cccc12 11662990 FVKORKLOGDBLPG-OAHLLOKOSA-N 352.287 4.309 0 3 FIAF COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12 13581094 JVZKOTRMFQSGLN-UHFFFAOYSA-N 360.404 4.056 0 1 FIAF O=C(O)[C@H]1CCCN(CCO[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 13729382 KGVCYMDWXRKNMB-ICSRJNTNSA-N 373.880 4.243 0 1 FIAF O=C(O)[C@H]1CC[C@@H]1c1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 13826803 ZCNNJVHQDCMCNZ-GJZGRUSLSA-N 358.800 4.455 0 1 FIAF Cc1cccc(N(C)CCNC(=O)Nc2ccccc2Br)c1 14973924 GECSVPIMSOPKGK-UHFFFAOYSA-N 362.271 4.015 0 1 FIAF CC(C)=CC[C@@](C)(O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27889025 JKZODUNXNSYOAN-LSNMZSPYSA-N 368.514 4.082 0 1 FIAF CCCC(=O)NCCc1cn(C)c2c(-c3ccccc3)cc(OC)cc12 28815198 XTRBNMRMPVWTCO-UHFFFAOYSA-N 350.462 4.313 0 1 FIAF COC(=O)c1sc2cc(-c3ccc(C(F)(F)F)cc3)cnc2c1N 66259316 NMNZAZUOEXYQJW-UHFFFAOYSA-N 352.337 4.351 0 1 FIAF O=C(Nc1ccc(C(=O)O)c(O)c1)c1cc2c3c(c1)CCCC3CCC2 96907124 HIXFBRIPYDWGOD-UHFFFAOYSA-N 351.402 4.099 0 1 FIAF Cc1c[nH]c2ncc(-c3cc([C@@H]4CCOC4)n(C4CC(F)(F)C4)n3)cc12 146408288 XVGWBGGKZXZSDF-GFCCVEGCSA-N 358.392 4.209 0 1 FIAF O=C1NCCc2[nH]c(-c3cccc4ccc(Oc5cccc(F)c5)nc34)cc21 222353872 FSUPHBZWCKRZOA-UHFFFAOYSA-N 373.387 4.447 0 1 FIAF COc1cccc2c(NCc3ccc(F)cc3)nc(N3CCCCC3)nc12 299821969 CSWFDXCRDZZJKJ-UHFFFAOYSA-N 366.440 4.380 0 1 FIAF CC(C)[C@](C)(O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586886858 GXVWHIQDKJVVFB-LBPRGKRZSA-N 367.165 4.088 0 1 FIAF CSc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586967332 UQGSIFKMVIQKLQ-UHFFFAOYSA-N 355.448 4.022 0 1 FIAF Oc1nncc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587015020 CAGDMHQYYZWXQX-UHFFFAOYSA-N 364.217 4.156 0 1 FIAF Cc1ccc(C)c2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc12 587074780 YNVCZVOSEUASOV-UHFFFAOYSA-N 351.841 4.448 0 1 FIAF CC[C@]1(C2=NCCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374715 PRJMIRMCZBCPBE-PXNSSMCTSA-N 371.433 4.184 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(C)C)cc1)[C@@H](C2)C3=O 587441993 NLPOIIKTPXFYFX-PGRDOPGGSA-N 352.430 4.393 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C)c4c(c1)CC(C)(C)O4)[C@@H](C2)C3=O 587452048 CWXBDIKCAICXKX-HRAATJIYSA-N 350.414 4.206 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)CC[C@H]1C(=O)OC 587480014 MYCXALGFARWEAU-BTYIYWSLSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCCNC1)CC2=O 587487348 VGCUPYDRGVIHBK-UZUQRXQVSA-N 365.473 4.205 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(F)cc1 587572374 SJNWNNWQWKFDHC-RTBURBONSA-N 350.345 4.104 0 1 FIAF O=C(O)CCc1[nH]c2cc(F)ccc2c1CC(=O)c1ccc(Cl)cc1 587633083 RAYLAJOXIAVAGS-UHFFFAOYSA-N 359.784 4.403 0 1 FIAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587723562 BIJABCDXQPNJKK-HUTHGQBESA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)c(F)c2)N1 587726705 YYSFYINLEWFFFA-XYZCENFISA-N 367.237 4.107 0 1 FIAF COc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)c(OC)c1C 587788130 QCRFPNNYNVRGCI-UHFFFAOYSA-N 362.227 4.021 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)NC1CCCCC1 587862451 ATUVYNBZOOABFG-UHFFFAOYSA-N 367.371 4.468 0 1 FIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cnc5ccccc5c4[nH]1)(C3)C2 587950833 OHPFILFWDBIGBN-BXBLUCELSA-N 361.445 4.265 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)C2(CC(OC(=O)c3ccccc3)C2)N1 962946938 MJUZJURNQRJQNW-RJNZEALMSA-N 360.457 4.307 0 1 FIAF Clc1cccc2c1[C@H](c1cc(Br)c3c(c1)CCO3)NCC2 963390851 NPAPFCJOAPIPGD-INIZCTEOSA-N 364.670 4.273 0 1 FIAF Cc1ccn(-c2ccc(C(=O)N3CCC[C@@H](N(C)C)c4ccccc43)cc2)n1 1857643591 QXGRXDKEUNNREG-OAQYLSRUSA-N 374.488 4.224 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@@H]2C2=C(C(=O)OC2)[C@@H]1[C@H](C)CCC=C(C)C 2356306038 AKUDLPRCYTWGQW-MMUVNGBUSA-N 360.494 4.446 0 1 FIAF CCN(Cc1ccccc1)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 2500162 KBQZHUXLJCUUCY-UHFFFAOYSA-N 356.429 4.012 0 1 FIAF C[C@@H](C(=O)O)[C@@H]1Sc2ccccc2N(Cc2cccc(Cl)c2)C1=O 3050281 OCPWXJIVNZLDPI-BZNIZROVSA-N 361.850 4.068 0 1 FIAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4207465 CEILEWKBAJAXQO-DOTOQJQBSA-N 362.882 4.410 0 1 FIAF Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CC2CCCCC2)CC1 13799224 VFLJXRCSXJBPAE-UHFFFAOYSA-N 353.510 4.369 0 1 FIAF O=C(C[C@@H](O)CCCCc1ccccc1)c1ncc(-c2ccccn2)o1 14980098 WINBMHQQBYBMDV-KRWDZBQOSA-N 350.418 4.083 0 1 FIAF CC(C)(C)OC(=O)Nc1ccc(-c2cc(/C=C3\CN4CC[C@H]3C4)on2)cc1 26674913 GXHNERMILLSZQF-BMANGOCTSA-N 367.449 4.408 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 29322515 IWSCITFBDCQRGG-ADICSCMJSA-N 350.499 4.479 0 1 FIAF C[S@](=O)CC1=C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3 40568255 VRYURYQDHUXPRA-TXMRPHQTSA-N 364.551 4.399 0 1 FIAF CN1CC[C@@]2(Cc3ccncc3)c3ccccc3N(Cc3ccccc3)[C@H]12 40845335 BRGRMLXHRNEHCQ-BJKOFHAPSA-N 355.485 4.244 0 1 FIAF Cc1cc(=O)c2c(OCCCCOc3ccccc3)c3c(cc2o1)OCO3 43073946 DDDPYKIGDUBDBW-UHFFFAOYSA-N 368.385 4.068 0 1 FIAF COC(=O)/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/[C@]2(C)OC(=O)C(C)=C2CC1 49114856 FHHKQTZHOLIJSW-RFENMYMCSA-N 374.477 4.176 0 1 FIAF Cc1cc(=O)oc2cc(N3C(=O)CS[C@@H]3c3ccc(F)cc3)ccc12 49708977 ABDZSXULNXLXKI-LJQANCHMSA-N 355.390 4.019 0 1 FIAF COC(=O)C[C@@H]1c2ccccc2N=C(N2CCCCC2)N1C1CCCCC1 49871971 OAFNDNLOUAXQMP-HXUWFJFHSA-N 369.509 4.413 0 1 FIAF NC(=O)c1nc(-c2ccc(-c3ccccc3OC(F)(F)F)cc2)cs1 58582541 LYOLTJCOBJTOFQ-UHFFFAOYSA-N 364.348 4.475 0 1 FIAF C/C(=C\CNCCC(=O)O)c1ccc(OCCCc2ccccc2)cc1 66098754 LPVUWRPVJHEUFU-QGOAFFKASA-N 353.462 4.166 0 1 FIAF investigational CCCCC[C@@H](O)/C=C/[C@H]1[C@H]2CO[C@@H](C2)[C@@H]1C/C=C/CCCC(=O)O 100569685 DJKDIKIDYDXHDD-VNYFVRKWSA-N 350.499 4.336 0 1 FIAF CC[C@H](Oc1ccc2ccccc2c1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102083374 WAWMBTQBOWMQGD-WFXMLNOXSA-N 353.462 4.166 0 1 FIAF O=C(Nc1ccc(Cl)cc1)c1cnn2c1NC(=C1CC1)C=C2C(F)F 102863054 SKRNYDJYGJJKSP-UHFFFAOYSA-N 362.767 4.368 0 1 FIAF Oc1ccccc1-c1nnc2sc(Cc3cccc4ccccc34)nn12 103214902 PDOCMUANPVKXFE-UHFFFAOYSA-N 358.426 4.302 0 1 FIAF CCc1cnc(-n2nc(OC(C)C)c(Oc3ccc(F)cc3)c2C)nc1 299864807 MXGGMCARXUBVMI-UHFFFAOYSA-N 356.401 4.252 0 1 FIAF COc1cc(-c2cccc(C)c2)cc2c1OCCN(Cc1cccnc1)C2 473132412 RYBHPMYBWNBYOL-UHFFFAOYSA-N 360.457 4.460 0 1 FIAF C=CN1CC[C@@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)C1=O 587097916 QSQIZNVAJPZGBS-INIZCTEOSA-N 354.409 4.214 0 1 FIAF N[C@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@H]1c1ccccc1F 587154737 GHAKHVQRDLREBD-MGPLVRAMSA-N 353.294 4.201 0 1 FIAF O=C(Cc1cc2c3c(cccc3n1)CC2)c1cc(Br)ccc1O 587208368 RPEMYNQOYVTVHE-UHFFFAOYSA-N 368.230 4.227 0 1 FIAF CC(C)CCOc1cc2nc(CC3CC(N)C3)[nH]c2cc1Br 587255127 FNCMFRVUUCWYDW-UHFFFAOYSA-N 366.303 4.030 0 1 FIAF CCOC(=O)[C@@H]1CCC[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587527571 XRZPBEUXQDHKNL-RZQQEMMASA-N 356.462 4.269 0 1 FIAF C[C@@]1(c2ccc3c(c2)CCN3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598426 XQEICMCDVVGYEH-REWPJTCUSA-N 373.408 4.237 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1(c2ccccc2)CC1 587604567 WVJXRJSQUUDURB-DENIHFKCSA-N 358.393 4.454 0 1 FIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C(C)C 587765734 TXRHWBNQRSBRTD-BMLIUANNSA-N 366.278 4.298 0 1 FIAF CCCCOC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793988 NRPBADOGWAEMIP-DIFFPNOSSA-N 372.278 4.071 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c[nH]nc3c2)N1 587798164 UMARXVMNRCYOHQ-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccnc23)N1 587808574 ZSBUMXNLKFBZSY-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF CC[C@@]1(CC(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815728 PFZJXZWOBZBGTN-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF CC(=O)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822496 KYZWPMKQEDOMPA-ANTHHZPCSA-N 354.263 4.097 0 1 FIAF O=S(=O)(O)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587961626 METHNSOVXOQAMX-UHFFFAOYSA-N 364.426 4.067 0 1 FIAF Cc1nc(-c2ccccc2)oc1COc1ccc2c(c1)OC[C@@H]2CC(=O)O 653737652 OSVAIZDCQQQICT-HNNXBMFYSA-N 365.385 4.180 0 1 FIAF Cc1ccc(Cl)c([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1F 963018826 CQMYEJCBBNIFTK-MPBGBICISA-N 358.844 4.104 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]2(C[C@H](C)CC(=O)O)c1ccccc1 963268919 BEZMSUYSHXYRCW-SPLOXXLWSA-N 373.880 4.239 0 1 FIAF COCCC(=O)N1[C@@H](C)c2ccccc2N(Cc2ccccc2)C[C@H]1C 1772579857 QCPMQVSDXOTCFW-MSOLQXFVSA-N 352.478 4.021 0 1 FIAF Cc1cc(F)ccc1-c1cccc([C@]2(c3ccccc3)NC(=N)N(C)C2=O)c1 1857553129 CRQJBAVQECTLLC-QHCPKHFHSA-N 373.431 4.041 0 1 FIAF CCC=CC[C@H](O)C=CC=CCC=CCC=CC=C[C@H](O)CCC(=O)O 2356340196 JKPUWSZSJINVLB-SFTDATJTSA-N 360.494 4.491 0 1 FIAF CN[C@@H]1[C@@H]2[C@H]([C@H](C)CCC=C(C)C)CC[C@](C)(NC)[C@@H]2CC[C@@]1(C)O 2356838139 LQPCKHOVOWLRIL-GIGLBJSCSA-N 350.591 4.122 0 1 FIAF COc1ccc(NC(=O)N[C@H]2CSc3ccc(F)cc3C2)cc1Cl 2382219521 UENOUPVSZYKLRD-CYBMUJFWSA-N 366.845 4.326 0 1 FIAF Cc1[nH]nc2c1[C@H](c1ccc(Br)cc1)N(c1ccccc1)C2=O 199729632 CESNVVKMZQLNTG-KRWDZBQOSA-N 368.234 4.230 0 3 FIAF Cc1ccccc1NC(=O)CCC(=O)N1C[C@H](C)Sc2ccccc21 6857635 ZMPAMMFQSQVJJN-HNNXBMFYSA-N 354.475 4.241 0 1 FIAF N[C@H](C/C=C(\c1ccc2ccccc2c1)c1ccc(F)cc1F)C(=O)O 28768598 DLLMZUUUVDJRNI-HIOHBZOZSA-N 353.368 4.352 0 1 FIAF O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)c1ccc(F)cc1 34997643 BKEYPKXKFJPYCZ-UHFFFAOYSA-N 360.348 4.190 0 1 FIAF Clc1ccc(N2CC[C@@H]3CC[C@H](C2)N3Cc2c[nH]c3ncccc23)cc1 40391525 UPZQTOBGZYRXMC-RBUKOAKNSA-N 366.896 4.460 0 1 FIAF C[C@@]12C=C[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 40651450 QIDUACWPQSEWSX-MMBQXPGUSA-N 352.474 4.226 0 1 FIAF CCCCCC[C@@H](CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 40933158 JMUDIKBUGNBIFY-CHWSQXEVSA-N 367.964 4.037 0 1 FIAF Nc1cc2cc(c1)Nc1nccc(n1)-c1cccc(c1)COC/C=C/COC2 95573445 LVRXBZNKAGNVHM-OWOJBTEDSA-N 374.444 4.072 0 1 FIAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(F)cc(F)c3CC[C@H]21 117629501 QQXUKQJRPQLZTL-FOIQADDNSA-N 367.399 4.176 0 1 FIAF Cc1ncc(C)n2nc(CCc3ccc4c(Cl)cc(Cl)cc4n3)nc12 144546869 ZYTWORDIRAGTMT-UHFFFAOYSA-N 372.259 4.381 0 1 FIAF CC[C@H](C)[C@@H](CNC)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)[C@H](C(C)C)C1 253679064 RJHIDTUVERQXBY-DVDCVZMFSA-N 363.634 4.089 0 1 FIAF Cc1ccc(CSCCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 586970515 LKAUXAWNCSGFTI-UHFFFAOYSA-N 352.385 4.108 0 1 FIAF CC(C)(Oc1ccc(Br)cc1)c1nc2c(Cl)ncnc2[nH]1 586995031 CHEWVZUDLOMLPF-UHFFFAOYSA-N 367.634 4.083 0 1 FIAF O=C(O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587077349 VKRUYTGICDEMEO-UHFFFAOYSA-N 365.776 4.349 0 1 FIAF FC(F)(F)CCc1ocnc1-c1nc2cccc(Br)c2[nH]1 587092417 OFWBSTWZXMOAPN-UHFFFAOYSA-N 360.133 4.475 0 1 FIAF Cc1nc2[nH]c(-c3cn(C)cc3C(F)(F)F)nc2cc1Br 587111309 DJJFTKMCYMXNOF-UHFFFAOYSA-N 359.149 4.053 0 1 FIAF COc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1C 587124116 LSWVUZRWFSETRV-LKFCYVNXSA-N 365.359 4.051 0 1 FIAF Cc1cc(Br)c2[nH]c(/C=C\C(=O)Nc3ccc(F)cc3)nc2c1 587166706 HAJCDCUGXUCPNO-SREVYHEPSA-N 374.213 4.425 0 1 FIAF Fc1cc2c(c(Cc3nc4ccc(C(F)(F)F)cc4[nH]3)c1)OCOC2 587172140 WZIFUAOWWZWSSO-UHFFFAOYSA-N 352.287 4.178 0 1 FIAF CSc1ncc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(=N)[nH]1 587209918 WZHVOODMABOCKG-UHFFFAOYSA-N 370.437 4.038 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCC(OC)=C1Br)CC2=O 587460571 UPBUHQQEUBZVMV-KRWDZBQOSA-N 367.239 4.095 0 1 FIAF Cc1[nH]c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C(=O)O 587524135 JHCBNBNPRKAWQX-OAQYLSRUSA-N 353.418 4.089 0 1 FIAF COC(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525050 ONIJBJLDNNOLGI-QFIPXVFZSA-N 350.414 4.233 0 1 FIAF COC(=O)c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527520 WCNBTVODTLUKBJ-QFIPXVFZSA-N 350.414 4.233 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(F)c1O 587555196 FUTVCVCOJQAAFH-UZLBHIALSA-N 370.307 4.079 0 1 FIAF COc1cc(F)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570685 XFEBAVBXMDYALK-WIYYLYMNSA-N 366.344 4.243 0 1 FIAF CC[C@H](C)c1ccc2[nH]c(CC(=O)OC)c(CNC(=O)OC(C)(C)C)c2c1 587642553 MLTZXTPZNDMYGG-ZDUSSCGKSA-N 374.481 4.422 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2Cl)N1 587706967 TYCLCRZCGCEJEO-XXFAHNHDSA-N 369.665 4.434 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2coc(C3CC3)n2)N1 587773116 IDABERNOFHCTAJ-XLFHBGCDSA-N 365.246 4.251 0 1 FIAF Fc1cnc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc12 587780895 LHPPOHIQEDRUOE-DAXSKMNVSA-N 362.202 4.090 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H]2CCCCC2=O)N1 587824214 VOBVHHGZMXMOME-FTLABTOESA-N 368.290 4.487 0 1 FIAF CCOCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587826889 GNVPKIKEMHMCNX-BMLIUANNSA-N 368.246 4.341 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccsc32)N1 587853668 AUASSJSWLDWLSF-FVMDXXJSSA-N 352.272 4.374 0 1 FIAF Cc1cc(C)c(/C=C2\C(=O)Nc3cc(-c4cnc5ccccn45)ccc32)[nH]1 653762388 RMVFIGGODORECN-BOPFTXTBSA-N 354.413 4.439 0 1 FIAF COc1cccc2cc3c(nc12)[C@H](c1ccc([C@H]2CCCCO2)o1)NCC3 963056903 NIRZRDPTBQISAB-ZHRRBRCNSA-N 364.445 4.313 0 1 FIAF CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccccc3C)cc2c1C 1772614110 DYNHXCOLNDVYMD-UHFFFAOYSA-N 373.430 4.027 0 1 FIAF Cn1c(C(=O)Nc2ccccc2COc2ccncc2)cc2sccc21 1772616902 OSABRUCAZLZRPN-UHFFFAOYSA-N 363.442 4.466 0 1 FIAF O=C(c1ccccc1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 1772641248 GREGEUCGFKPDRT-SFHVURJKSA-N 368.383 4.164 0 1 FIAF Cc1c(NC(=O)c2ccc(C3CC3)cc2)cc(F)cc1-c1cc(=N)[nH]cn1 1857547270 FMXUPVASVZJCKB-UHFFFAOYSA-N 362.408 4.133 0 1 FIAF CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@H]34)[C@@]2(C)C[C@@H]1O 2356662942 NGSWUPZJKYFTDE-NGNSXUEYSA-N 373.581 4.421 0 1 FIAF CCCCOc1ccccc1-c1nc(O)c2cnn(-c3ccccc3)c2n1 2382227642 RAPLDRVXYKGMMN-UHFFFAOYSA-N 360.417 4.367 0 1 FIAF CC(C)c1ccc([C@H](Nc2ccccc2)c2oc(CO)cc(=O)c2O)cc1 2382234535 NRXIMYYOHAAQDM-FQEVSTJZSA-N 365.429 4.163 0 1 FIAF COc1ccc2c(c1)c(CCNC(=O)C1CCC1)c1n2CCc2ccccc2-1 13494175 DTJHXENDOIJUBL-UHFFFAOYSA-N 374.484 4.332 0 1 FIAF Cn1c(=O)c(COc2ccccc2Cc2ccccc2)nc2ccccc21 27707020 HEGDJKGFOUAPKU-UHFFFAOYSA-N 356.425 4.103 0 1 FIAF OCC1CCN(Cc2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 36161008 STWRLJVTHOESIN-UHFFFAOYSA-N 365.452 4.087 0 1 FIAF COCc1cccc(-c2cc(CCNC(C)=O)c3cc(OC)ccc3c2)c1 40952404 GRZRYDAHZHCAFE-UHFFFAOYSA-N 363.457 4.340 0 1 FIAF in-vitro COc1cccc(-c2nc(CN(C)C)nn2-c2cccc(C(C)(C)C)c2)c1 45339889 USNOUSVUVBDNPT-UHFFFAOYSA-N 364.493 4.302 0 1 FIAF CCCCCNc1ncnc2c1nc(CC(C)C)n2CCc1ccccn1 82196862 UGBVVWMSIKYPBP-UHFFFAOYSA-N 366.513 4.265 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100794223 IWSCITFBDCQRGG-YACLEHRQSA-N 350.499 4.479 0 1 FIAF CS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1cc2ccccc2s1 115231448 UFDGBINQRMWSRF-UHFFFAOYSA-N 353.415 4.146 0 1 FIAF COc1ccc(CCc2nnc(-c3ccc4[nH]cnc4c3)o2)cc1Cl 118807495 NPFSMYIWSFRVDV-UHFFFAOYSA-N 354.797 4.060 0 1 FIAF Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3cccc(F)c3)cc12 169350934 CUCDJEVVTQFIJG-UHFFFAOYSA-N 370.387 4.054 0 1 FIAF CCc1ccc(Nc2cc(O)n(-c3ccc(OC)cc3OC)c2O)cc1 169686870 ZMBDSNNRMNUSSD-UHFFFAOYSA-N 354.406 4.212 0 1 FIAF O=c1c2ccccc2nc(/C=C/c2cccc(F)c2)n1-c1cccc(O)c1 221129851 DPTFQUHJRRTZGS-VAWYXSNFSA-N 358.372 4.401 0 1 FIAF COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1CC=C(C)C 238765595 NUIWAKMYJGEGFO-UHFFFAOYSA-N 352.386 4.389 0 1 FIAF CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@H]5[C@@H](C[C@H]32)[C@@]5(C)C4)[C@@]1(C)C(=O)O 238766256 ZOBJXIVCSCBWLR-KIPFHMFXSA-N 360.494 4.272 0 1 FIAF CN(C)C(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894878 XJWIPKDTMHTPJG-UHFFFAOYSA-N 359.514 4.310 0 1 FIAF Cc1c(-c2nc3ccc(F)c(F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587074078 QWADICADBOECNO-UHFFFAOYSA-N 359.767 4.110 0 1 FIAF O=C(O)c1cc(F)cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135140 TZHRHVBACQNXKF-UPHRSURJSA-N 372.224 4.266 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cncc(Cl)c2[nH]1 587168089 RZNOTCUGENVEEC-AWEZNQCLSA-N 359.792 4.119 0 1 FIAF CC(=O)NC1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCC(C)CC1 587234424 MJOKKGACTWCYEM-UHFFFAOYSA-N 355.360 4.003 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncccc1NC(=O)OC(C)(C)C)O2 587391994 VQIRMMVYLJVHAC-MRXNPFEDSA-N 369.421 4.026 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCNc4cc5ccccc5cc41)[C@@H](C2)C3=O 587438700 HJUXUEOPPRPSNS-MBSDFSHPSA-N 357.409 4.307 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCC[C@H](C(=O)OCC)C1)CC2=O 587478238 IPUBZCIAYHPMFT-TYILLQQXSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1OC(c1nccs1)(c1nccs1)CC2=O 587495383 NXMFXSKHPGBKTA-UHFFFAOYSA-N 372.471 4.167 0 1 FIAF O=C1C[C@H](c2cnc3[nH]c(Cl)ncc2-3)Oc2c1ccc1c2CCCC1 587499122 LFSDQXHRAYEMCS-MRXNPFEDSA-N 353.809 4.148 0 1 FIAF CC(C)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C 587763836 MVDKKHMGYORPRN-QGHHPUGFSA-N 366.278 4.069 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccoc3c2)N1 587778543 MINYOLUWMXHVQE-VVVCHXIZSA-N 361.214 4.353 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3[nH]ncc3c2)N1 587799101 WGOKBSXYOAADAZ-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CCC2(C)C)N1 587818696 FGOVANVJIOAGSF-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF CCc1csc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587851175 HMCYGIZPCVVUNW-CLAHSXSESA-N 355.276 4.231 0 1 FIAF COc1ccc2c(c1)[C@](C)([C@@H](N=O)C(=O)c1ccccc1)N(C(C)C)CC2 962094747 XDKYDBHGQYREIY-FCHUYYIVSA-N 366.461 4.195 0 1 FIAF COC(=O)C[C@]1(c2ccc(Cl)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963108466 PAXMYXONMAQGFV-UWJYYQICSA-N 373.855 4.306 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CC(C)(C)Cc2[nH]cc(C)c21 963607382 JTDPUSOCHSIXGC-JLCFBVMHSA-N 354.494 4.091 0 1 FIAF O=C1N[C@H](c2c[nH]nc2-c2ccccc2)Nc2c(Cl)cc(Cl)cc21 1857635482 GHSPKOUUIWGJQI-MRXNPFEDSA-N 359.216 4.238 0 1 FIAF Cc1cccc(C)c1C(=O)N[C@@H](c1ccncc1)C12CCC(CC1)CN2C 1857757567 JKTKESKSMRIFSF-STDCAVTESA-N 363.505 4.044 0 1 FIAF C[C@@H]1[C@H](Cc2ccc3c(c2)OCO3)O[C@@H](c2ccc3c(c2)OCO3)[C@H]1C 2356721023 QPBYXPLUADJZPQ-UFUGXISJSA-N 354.402 4.099 0 1 FIAF COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)(C)C)cc32)cc(OC)c1OC 13814671 PEMKGCRKBZTUIW-HNNXBMFYSA-N 370.445 4.451 0 3 FIAF Cc1nc(NC[C@H]2COc3ccccc3O2)c2c3c(sc2n1)CCCC3 753856 JQIBCBOCQUJBPJ-ZDUSSCGKSA-N 367.474 4.130 0 1 FIAF CC1(C)CCc2cc3c(cc2O1)OC[C@H]1c2cc4c(cc2O[C@H]31)OCO4 1618215 BGWFJLDAZBGWOL-VBKZILBWSA-N 352.386 4.129 0 1 FIAF biogenic CC[C@H]1CC[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@@H]13 26716370 KTWOOJMLIGJCEN-FMTPRPSJSA-N 353.506 4.171 0 1 FIAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC)cc1 28221642 WQSVWGMYDLJODQ-UHFFFAOYSA-N 362.451 4.485 0 1 FIAF C[C@H](Oc1ccc(Sc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O 29472013 OVNJBDVGNTZOFS-JTQLQIEISA-N 360.822 4.286 0 1 FIAF O=C(O)c1ccc(CSc2c(O)cc(-c3ccccc3)oc2=O)cc1 32016345 CMSRVCROZCDHEB-UHFFFAOYSA-N 354.383 4.003 0 1 FIAF CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(/C)CC/C=C(\C)CC[C@@H]2O[C@]2(C)[C@H]1O 40423761 UCGNKVNJSKHNBJ-XUMFIIKJSA-N 362.510 4.486 0 1 FIAF CCOC(=O)C1=C[C@H]2[C@H]3c4c(c5ccccc5n41)CCN3CC[C@H]2CC 40510567 VGAYLYPKNAGUGZ-ZTQAJYAQSA-N 350.462 4.004 0 1 FIAF CC(C)(C)Nc1nc(NC(C)(C)C)nc(N2CCCc3ccccc32)n1 58608336 NXFRQPXFLSBYSQ-UHFFFAOYSA-N 354.502 4.377 0 1 FIAF CN(C)c1ccc([C@](O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1 72141443 IXLNOSDUVKDOJW-HXUWFJFHSA-N 372.390 4.451 0 1 FIAF OCCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 72175479 PUHYGVFHSNFDET-UHFFFAOYSA-N 368.908 4.114 0 1 FIAF COc1ccc(Nc2nccc3c2ncn3Cc2ccccc2)cc1OC 74386592 WKPLXGKSCVXILC-UHFFFAOYSA-N 360.417 4.240 0 1 FIAF O=c1c2ccccc2nc(-c2ccccc2)n1-c1nc2cccc(O)c2s1 103218532 UNNWXUYQRWVEGQ-UHFFFAOYSA-N 371.421 4.368 0 1 FIAF CCn1c(NC2CCCC2)nc2c(CCc3cccnc3)csc2c1=O 299841418 ZSZDRDPNZAUSIP-UHFFFAOYSA-N 368.506 4.013 0 1 FIAF CCOC(=O)C[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989901 SBRSCBVHJSDACQ-GFCCVEGCSA-N 373.408 4.135 0 1 FIAF CCOC(=O)Cc1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587028023 MQMZLCLZRGJDEO-UHFFFAOYSA-N 363.442 4.459 0 1 FIAF Cc1cc(Cl)ccc1OCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 587065912 DYOOUTNLSHBYQE-UHFFFAOYSA-N 370.762 4.297 0 1 FIAF COC(=O)c1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c12 587075604 JIFFLIWWNTZRFG-UHFFFAOYSA-N 366.808 4.164 0 1 FIAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(O)cc3[nH]2)cc1F 587145482 ZEVWEYIVCSDRSF-UHFFFAOYSA-N 362.360 4.314 0 1 FIAF Oc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587184723 UZCFFLOAWAGMJP-QPJJXVBHSA-N 362.170 4.044 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(OC(F)F)c(C)c1)[C@@H](C2)C3=O 587423727 UWERNYDNJMRJCY-LIRRHRJNSA-N 360.356 4.402 0 1 FIAF COc1cc2c(cc1OC)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587521166 AYVCWEABOZIKAX-HSZRJFAPSA-N 364.441 4.390 0 1 FIAF Nc1cc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548258 OZLITGUVESVHJB-FXAWDEMLSA-N 367.788 4.331 0 1 FIAF O=C(c1c(-c2ccc3c(c2)OCCO3)[nH]c2cc(F)ccc12)C(F)(F)F 587634265 WUKPFISBRIGTQF-UHFFFAOYSA-N 365.282 4.490 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(O)c2F)N1 587720686 TYZFTGYRTLEJQF-QZTNRIJFSA-N 372.184 4.196 0 1 FIAF CCCn1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587753811 JRRJASLYEGLCGM-GTNSWQLSSA-N 351.263 4.423 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N2CCCCC2)N1 587764350 DTMFOUUUMMMUAZ-PXAZEXFGSA-N 369.322 4.428 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3n[nH]cc3c2)N1 587794303 LVSFVWWHEOFIBY-XYZCENFISA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCOC(C)(C)C2)N1 587835376 WCOUKBWNNMBKDF-GLKRBJQHSA-N 356.279 4.369 0 1 FIAF Cc1nn(C)cc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831717 HMKJDYMZLBUZMN-JOCHJYFZSA-N 372.472 4.024 0 1 FIAF CCCCNC(=O)c1cc(-c2ccc(Br)cc2)sc1N 1772655912 UYWXWVKTMQTIOY-UHFFFAOYSA-N 353.285 4.290 0 1 FIAF CCOC(=O)[C@@]1(CCCc2ccccc2)CC[C@@]2(c3ccccc3)O[N@@]21 1857567112 AHHYNRUAUCHPHR-XPWALMASSA-N 351.446 4.205 0 1 FIAF C[C@H]1C(=O)N(C)c2ccc(N[C@H](C)c3ccc(F)cc3)cc2N1C1CC1 1857748212 IINAUNKOQHVAPJ-KGLIPLIRSA-N 353.441 4.333 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@](C)(O)CC[C@@H]21 2356456739 OWZUBMHBAHWVRJ-LLVBAIKDSA-N 366.542 4.242 0 1 FIAF O=C(O)CCC=CCC=CCC=CC=C[C@H](O)CC=CCC=CCCO 2356489218 OIAXNIJCPGIEPH-NRFANRHFSA-N 360.494 4.492 0 1 FIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2c[nH]c3ccccc23)c1C 3923829 PUAMCBIYRNRGBC-UHFFFAOYSA-N 367.430 4.241 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4206744 WVMBXRADAGOVKS-MJGOQNOKSA-N 356.853 4.348 0 1 FIAF CCCCCC(=O)OC[C@@]1(CO)C/C(=C\CC(C(C)C)C(C)C)C(=O)O1 13805668 BWJOJZPMFILAAD-KRWRZEAGSA-N 368.514 4.033 0 1 FIAF CCOC(=O)N1CCC[C@](OCC2CCCCC2)(c2ccccc2)C1=O 26172417 OVGHNTORXYBOFU-NRFANRHFSA-N 359.466 4.258 0 1 FIAF CCN(CC)CCOc1ccccc1Nc1nccc(-c2cccnc2)n1 26643784 VBTYEIVGQOTDTF-UHFFFAOYSA-N 363.465 4.003 0 1 FIAF CNc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2cccc(C)c2)s1 40408054 ZQONYZLZJGDGJI-UHFFFAOYSA-N 362.458 4.168 0 1 FIAF O=C(NC1C2CC3CC(C2)CC1C3)N1CCC[C@H](Cc2ccccc2)C1 45390992 MURFOEYIMQOXKM-YPPDDKLJSA-N 352.522 4.475 0 1 FIAF CSCC[C@H](Nc1nc(-c2cccc(F)c2)cs1)C(=O)NC(C)C 82192270 HRVAAAZPGBACOK-AWEZNQCLSA-N 367.515 4.007 0 1 FIAF COc1cnc(-c2ccccn2)nc1NCc1ccccc1C(F)(F)F 84722604 GZIPJTDUDKQMMA-UHFFFAOYSA-N 360.339 4.178 0 1 FIAF c1ccc(Cn2s/c(=N/Cc3cccnc3)nc2-c2ccccc2)cc1 101506349 XLDLXCYQPQXIHM-XTQSDGFTSA-N 358.470 4.156 0 1 FIAF O=C1CCC(c2ccc([C@@H]3CNC(=O)N3c3ccc4[nH]cnc4c3)cc2)CC1 116198463 QSIOUMPIIOLJNV-NRFANRHFSA-N 374.444 4.061 0 1 FIAF CC(C)[C@@H]1N(c2ccnc(N[C@@H](C)c3ccccc3)n2)C(=O)OC1(C)C 142118123 WDWUOYUAYUYRQY-YOEHRIQHSA-N 354.454 4.410 0 1 FIAF C=Cc1ccc(-c2nc3c(Br)cc(C(=O)OC)cc3[nH]2)cc1 586880000 AUVNBZZMEYGASJ-UHFFFAOYSA-N 357.207 4.422 0 1 FIAF O=[S@@](Cc1nc2cc(F)cnc2[nH]1)C(c1ccccc1)c1ccccc1 586961286 UCDFEFQLKLKZRJ-SANMLTNESA-N 365.433 4.135 0 1 FIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc5ncccc5c4[nH]3)cc2N1 587125727 SSIYNAUSQPMPTA-LKFCYVNXSA-N 372.354 4.282 0 1 FIAF COC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)c(F)c3)nc2c1 587143492 FRSZZQNXZXJXAC-UHFFFAOYSA-N 367.149 4.057 0 1 FIAF Fc1ccc(I)cc1-c1nc2cc(Cl)ncc2[nH]1 587181986 AUKOMFZYPSJKJB-UHFFFAOYSA-N 373.556 4.022 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2ccnc(Cl)c2[nH]1)C1CCCC1 587224110 DJHFRFMIRWNCAH-LBPRGKRZSA-N 350.850 4.367 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587233695 TWWJDXWAIROHCM-WDEREUQCSA-N 370.375 4.138 0 1 FIAF O=C(/C=C/c1nc2cc(Br)cc(F)c2[nH]1)Nc1ccccc1 587244070 KZOWEABVOKVXPY-VOTSOKGWSA-N 360.186 4.116 0 1 FIAF CN(C)/C=C/[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338532 QHUXAYXGINDSAO-LAEIETDRSA-N 367.420 4.114 0 1 FIAF COc1ccc([C@]2(Cc3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587395807 UEQDISJXUIXQJG-QHCPKHFHSA-N 374.440 4.084 0 1 FIAF CCOC(OCC)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587399955 KZJOJLRLSPWHDS-IBGZPJMESA-N 355.434 4.355 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C=O)cc4)nc1)[C@@H](C2)C3=O 587435739 JDBUPSFXDZUORM-MBSDFSHPSA-N 371.392 4.058 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCC(c3nc(C)no3)CC1)CC2=O 587480633 DSTZIULDMZKHPU-UHFFFAOYSA-N 356.422 4.098 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)O)c1CC)CC2=O 587487862 XVAVBASCGOMLJX-OAQYLSRUSA-N 371.433 4.122 0 1 FIAF O=C1C[C@H](c2cc(Br)ccn2)Oc2c1ccc1c2CCCC1 587503377 NTWOKCUIKLBEMO-QGZVFWFLSA-N 358.235 4.429 0 1 FIAF O=C(c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)F 587622651 QOPIXMDYGVUBHU-UHFFFAOYSA-N 364.096 4.192 0 1 FIAF CC[C@@H](C)c1ccccc1OCC(=O)n1ncc2ccc(Cl)cc2c1=O 587652410 RKDYCVVUYRFXPL-CYBMUJFWSA-N 370.836 4.283 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(O)cc2F)N1 587720984 UWHSZGFJCQEPBM-HYORBCNSSA-N 372.184 4.196 0 1 FIAF COc1cc(F)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587727120 ANNLXANQUIDJLK-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c3ncccc23)N1 587757091 MQIIOUPSTPFHQH-QGHHPUGFSA-N 374.257 4.099 0 1 FIAF CC(C)Cn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587760974 RMKSDFDOKDIHOE-PIGZYNQJSA-N 366.278 4.064 0 1 FIAF CC(C)N1CCC([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587766200 GEQDBGGGTBRINF-KPZWWZAWSA-N 369.322 4.284 0 1 FIAF CCOc1ncccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587775373 ZNUOQTXQADVMDI-HWPZZCPQSA-N 365.246 4.006 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCCC2=O)N1 587818852 FUUMGASXVVFEFS-MOCULFSLSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cc3ccccc3OC2)N1 587832270 BFSGKOHOBXOXDN-BLVKFPJESA-N 374.253 4.424 0 1 FIAF Nc1c(Br)cccc1-n1c(O)cc(-c2ccccc2F)c1O 587935904 RKTLRGASYBANAN-UHFFFAOYSA-N 363.186 4.039 0 1 FIAF CC[C@H](C)c1ccc([C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962933217 SQRQLGKXQVEABX-QMHKHESXSA-N 350.506 4.311 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2C1(c2ccccc2)CCOCC1 963581701 OBTKVFQKBWITCO-KSFYIVLOSA-N 367.489 4.028 0 1 FIAF CCOC(=O)[C@]1(CCCc2ccccc2)CC[C@@]2(c3ccccc3)O[N@]12 1857536579 AHHYNRUAUCHPHR-RJGXRXQPSA-N 351.446 4.205 0 1 FIAF CCN(CC)Cc1cccc(-c2coc3cc(OC)c(OC)cc3c2=O)c1 1857657046 CLOKOHIPAIZQGP-UHFFFAOYSA-N 367.445 4.319 0 1 FIAF FC(F)(F)c1ccc2c(c1)nc1n2[C@H](CNC2CCCCC2)COC1 2356760335 ZVIKOWKDRHTYJF-CQSZACIVSA-N 353.388 4.049 0 1 FIAF CC1=C[C@H]2O[C@H](CC(=O)O)[C@H]1[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]21 2356806241 VPYDKRNAPAGWFD-GIGSONEJSA-N 362.510 4.024 0 1 FIAF COC(=O)C1=C2CCC3=C2[C@@]2(C1)[C@H]1[C@H]4CC[C@@]2(C)[C@@H](CC3)CN1C[C@H]4C 2356816087 CXNYOLGASMNGBW-YQULOSKLSA-N 353.506 4.097 0 1 FIAF CN(C(=O)n1nc(-c2ccncc2)c(-c2ccc(F)cc2)n1)c1ccccc1 13489719 IZVOHRQEGMZCAZ-UHFFFAOYSA-N 373.391 4.251 0 1 FIAF C[C@@]12C=C[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 40786730 BAOTVTWAXDKNIQ-BGEVSPHQSA-N 364.485 4.082 0 1 FIAF CNC/C(=C\CCC(=O)O)CCCCCCCC[C@@H]1C=C(CO)CC1 85489274 MMGHAYAESBNGFM-FUDBJYBQSA-N 351.531 4.447 0 1 FIAF biogenic,in-vitro O=C(O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)c(O)c1 87613218 KIRMRPKSCCDONI-UHFFFAOYSA-N 356.769 4.021 0 1 FIAF CCCOc1ccnc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c1 96172909 SYKQQMQOXMZIRO-MRXNPFEDSA-N 368.477 4.221 0 1 FIAF Cc1ccccc1NC(=O)N1[C@@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 100980536 JELRSPJGLHCERQ-IAGOWNOFSA-N 357.498 4.075 0 1 FIAF O=C1N=Nc2nc(CN3CC=C(c4ccccc4)CC3)nc3cccc1c23 169710137 MWHQZLBUVHDRFB-UHFFFAOYSA-N 355.401 4.157 0 1 FIAF O=C(NCc1c(Cl)cc(Cl)cc1C1CC1)[C@@H]1COc2ncsc21 220861652 RGAKGPSSFKSYJF-GFCCVEGCSA-N 369.273 4.120 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(C)=C4C=C3CC[C@@H]2C1(C)C 238732858 JLHBPOUWGMGEPC-DIGZUXTDSA-N 358.478 4.343 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3C[C@@]34CCc3ccccc34)nc1-2 586884116 HBEFSGGTCJBDNZ-QLJPJBMISA-N 364.758 4.348 0 1 FIAF FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(Br)c(F)c2[nH]1 587086977 AFZZNYYRQLKYAY-SSDOTTSWSA-N 360.177 4.214 0 1 FIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)ncc3[nH]2)c1F 587151976 JHMJBXKLMQITQP-IUCAKERBSA-N 350.166 4.270 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(Cl)ncc2[nH]1 587166874 CKKKUFGTORBRFR-CQSZACIVSA-N 359.792 4.119 0 1 FIAF C[C@@H](CSc1ccc(F)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587170004 HMYYNLCFWFEIMX-QMMMGPOBSA-N 356.348 4.358 0 1 FIAF Ic1cncc(-c2nc3cc4ccccc4cc3[nH]2)c1 587184360 IQWCLRZDEVSYHW-UHFFFAOYSA-N 371.181 4.383 0 1 FIAF O=C(Cc1ccccc1)NCCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587228740 QOXTXKNIQPQGNB-UHFFFAOYSA-N 371.440 4.257 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)c(N)c(Cl)c1)O2 587373449 DGKVURLXUIBVRJ-QGZVFWFLSA-N 351.233 4.347 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cncc1Br)O2 587374021 WMCPNNBNOOTQRX-ZDUSSCGKSA-N 367.630 4.095 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(C)nc1Cl)CC2=O 587463098 WENLIFXQAUEWKV-CYBMUJFWSA-N 367.232 4.456 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](COC)(c1ccc(F)c(F)c1)CC2=O 587465105 ARVUHWCFLWDRDD-FQEVSTJZSA-N 362.372 4.130 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@](C)(O)C[C@@H]1C[C@H]3CC[C@H]1C3)CC2=O 587488531 KMGYCGBLJUWSER-FPUYFKEASA-N 358.478 4.256 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccnc2n1 587589183 WBXXGENOHQIECL-GHTZIAJQSA-N 370.364 4.038 0 1 FIAF Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587619842 ZVRUWODMKOUEQQ-UTKZUKDTSA-N 350.370 4.479 0 1 FIAF CCOc1cccc2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 587654218 QAGIZKGWKLUSRK-UHFFFAOYSA-N 357.822 4.048 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2Cl)N1 587698976 QYDLTEVZLLXXJD-RTHLEPHNSA-N 355.638 4.260 0 1 FIAF CCCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793993 NRPBADOGWAEMIP-PIGZYNQJSA-N 372.278 4.071 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](C3CC3)C2)N1 587819683 WMYZFFNNEVBXKA-LNSDYSHSSA-N 366.274 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCCC(=O)O)N1 587825724 DXUHANJAAXVXPH-DIFFPNOSSA-N 372.278 4.373 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(C)(C)C(=O)O)N1 587831265 WULPEKNGCVHRFE-DYZYQPBXSA-N 372.278 4.229 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)COC3)N1 587837105 ZKQGKQZGGLRNEW-MGNBDDOMSA-N 362.242 4.242 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccsc32)N1 587859918 YYCJQMFOGXNHLS-XXFAHNHDSA-N 352.272 4.374 0 1 FIAF COC(=O)c1ccnc2[nH]c([C@H](C)c3ccc4cc(OC)ccc4c3)nc12 587935751 VHHWITNBLDDGBJ-GFCCVEGCSA-N 361.401 4.058 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(OC)cc2)(c2ncco2)N1 962949261 FCDLOFAXOTYDBA-MWTRTKDXSA-N 373.456 4.381 0 1 FIAF COC(=O)Nc1ccc2c(c1)/C(=C/c1ccc(Br)cc1)C(=O)N2 1857575331 LJYMLFHPHBZRMU-ZSOIEALJSA-N 373.206 4.120 0 1 FIAF CC(C)=CCc1ccc([C@H]2C[C@H](Cc3ccc(O)cc3)OC2=O)cc1O 2356612222 YOBDVZGDIRRERU-VQTJNVASSA-N 352.430 4.248 0 1 FIAF CC(=CCCC(C)=CCCC(=CCc1cc(O)ccc1O)C(=O)O)CO 2356624532 YMBZMWGZXRRFEN-UHFFFAOYSA-N 360.450 4.097 0 1 FIAF O=C(NCc1ccccc1)c1nc2ccccc2nc1-c1ccc(F)cc1 206052001 WMOHCXGKYNDLKL-UHFFFAOYSA-N 357.388 4.366 0 3 FIAF Clc1ccc(-c2ncnn2-c2ccc(Br)cn2)c(Cl)c1 753671 JSOASIDYKUGYND-UHFFFAOYSA-N 370.037 4.399 0 1 FIAF COc1cc(OC)cc(-c2oc3c(ccc4occc43)c(=O)c2OC)c1 13340709 RSTRBTNSRVARGB-UHFFFAOYSA-N 352.342 4.232 0 1 FIAF biogenic,in-vitro CCCCC[C@H](O)CCCCC[C@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460205 CPLIAEGRLLEYCZ-RDJZCZTQSA-N 350.455 4.071 0 1 FIAF biogenic Cc1cccc(NC(=O)Cc2ccc(-c3cccc4c3CNC4=O)cc2)c1 14945185 HNVJQLUIZVAPDV-UHFFFAOYSA-N 356.425 4.087 0 1 FIAF COc1ccc([C@]2(Cc3ccccc3)CCNC2=O)cc1OC1CCCC1 27328494 QECAOTVWRHOMKG-HSZRJFAPSA-N 365.473 4.017 0 1 FIAF CCCc1ccc(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)cc1 28820476 NHDLSBROCUFLJG-HNNXBMFYSA-N 356.491 4.030 0 1 FIAF O=C(c1cccs1)c1cnn2c1nnc1ccc(Oc3ccccc3)cc12 29059396 CDJOLGUQLGJTJP-UHFFFAOYSA-N 372.409 4.362 0 1 FIAF COP(=O)(OC)O[C@@H](C(C)(C)c1ccccc1)P(=O)(OC)OC 29227685 YVOWYJDQJSPUTA-CYBMUJFWSA-N 366.287 4.194 0 1 FIAF O=C1CCN([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc23)CC1 49802342 WDSLKTFRZQUHDJ-DHIUTWEWSA-N 351.490 4.375 0 1 FIAF Cc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2ccco2)o1 82166070 NCPAVXHLJUTXNZ-UHFFFAOYSA-N 364.380 4.494 0 1 FIAF NCCCc1nc(-c2c[nH]c3ccccc23)cn2cc(-c3ccccc3)nc12 95607610 AAYVGUAQQMAZPE-UHFFFAOYSA-N 367.456 4.436 0 1 FIAF COc1ccccc1CN1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2)cc1 100101368 VAVKEZSTJLXSNT-FVRPBGSPSA-N 370.496 4.302 0 1 FIAF Cc1ccc(/C(=C/C(=O)NCCc2ccc(O)cc2)c2ccncc2)cc1C 103187196 SNWRFEDVNXTNGJ-XQNSMLJCSA-N 372.468 4.195 0 1 FIAF CCc1nc(Nc2ccc(C(=O)O)cc2)nc(-c2cccc(Cl)c2)n1 142921445 RCYLJCYBPIGHQV-UHFFFAOYSA-N 354.797 4.196 0 1 FIAF O=C(Cc1ccc(Oc2ccccc2)cc1)N[C@@H]1CCOc2ncccc21 146636545 RAZWIUWYZBDAMU-HXUWFJFHSA-N 360.413 4.056 0 1 FIAF CC(C)[C@@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167498164 JAWRJNSSUGCUPI-CQSZACIVSA-N 369.440 4.148 0 1 FIAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cc[nH]c3)c12 225373262 MDVLHEHJZJGBJV-UHFFFAOYSA-N 359.389 4.387 0 1 FIAF COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]23[C@@H](OC)OC[C@H]13 238745448 LAVQAESMCHBXRC-QPGNEOJTSA-N 364.526 4.417 0 1 FIAF Cc1cc(Br)c2[nH]c(/C=C3\OC(=O)c4ccccc43)nc2c1 586906519 NGEWCWULCVYOOD-ZSOIEALJSA-N 355.191 4.302 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@]1(CCOC1)C3 586990482 FYMZICUCJOYRHI-HSZRJFAPSA-N 357.409 4.047 0 1 FIAF Cc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1C 587028951 COZCXKMTJWXHSL-UHFFFAOYSA-N 350.447 4.329 0 1 FIAF O=C(CCCc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(Cl)cn1 587082849 XZFJUDHYSCRVFF-UHFFFAOYSA-N 353.731 4.234 0 1 FIAF Cc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cc(-c2ccc(F)cc2)n1C 587166599 WZKLYHFMLUAPCU-UHFFFAOYSA-N 363.392 4.454 0 1 FIAF CC(C)(C)C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350982 IUJRGOKPEHDISX-UTKZUKDTSA-N 372.392 4.150 0 1 FIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)C 587401588 SRXPPYDNTQEFHQ-LJQANCHMSA-N 355.434 4.470 0 1 FIAF CC[C@@]1(C2(c3ccccc3)CCNCC2)CC(=O)c2cc(C)cc(N)c2O1 587402599 ZSBRQLSGKWSXAX-QHCPKHFHSA-N 364.489 4.013 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(O)c(OC)c1)CC2=O 587482978 STCCARLFQDMIPB-NRFANRHFSA-N 356.418 4.330 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587517962 YBRHDGDANLJOTC-DNVCBOLYSA-N 371.477 4.156 0 1 FIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1C=O 587527679 XVJVPTWWFUJUIO-NRFANRHFSA-N 366.413 4.102 0 1 FIAF CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597645 RCYDJKSBFVJHFH-UGKGYDQZSA-N 362.381 4.494 0 1 FIAF CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3ccc([C@H](C)CC)cc23)CC1 587644005 YTDPQVKGTBYDRY-CQSZACIVSA-N 370.493 4.405 0 1 FIAF CCc1cnccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772671 FVBSWNPFOSNYCE-VOJFVSQTSA-N 363.274 4.343 0 1 FIAF Cc1csc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587852887 NXQLWWNVSSXUPB-AYVTZFPOSA-N 355.276 4.151 0 1 FIAF CCOc1ccccc1C(=O)n1nc(-c2cccc(F)c2)cc1OCC 587871050 XXWACCWFPYWGAL-UHFFFAOYSA-N 354.381 4.175 0 1 FIAF Cn1cccc1CN1CCc2sccc2[C@]12CCc1cccnc1CC2 962401089 VFGXXHKNJWPXDZ-JOCHJYFZSA-N 363.530 4.314 0 1 FIAF COc1cc(-c2nc(-c3ccnc(C)c3)c3n2C[C@@H](C)OCC3)ccc1C 1772655018 YFSVQRSNUFTLMZ-MRXNPFEDSA-N 363.461 4.199 0 1 FIAF CCOC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)nc2)c(F)c1N 1857591302 QGMYAHJROPECLZ-UHFFFAOYSA-N 372.322 4.002 0 1 FIAF CCCCN(CCCC)c1cc2c(cc1F)c(=O)c(C(=O)O)cn2CC 1911575798 DLVFDTFUJCAORF-UHFFFAOYSA-N 362.445 4.265 0 1 FIAF CCCC(=O)c1c(O)c(C=O)c(O)c2c1O[C@]1(C)C=C[C@@H](C(C)C)C[C@H]1C2 2356540314 TWCNVRBOBWVQSG-ALLJEULLSA-N 372.461 4.435 0 1 FIAF CC[C@@H]1CCCCN1C(=O)c1cc(COc2ccc3ncccc3c2)on1 12431090 MQXBRAOUPWNEIL-MRXNPFEDSA-N 365.433 4.207 0 3 FIAF O=C(O[C@@]12CCCN(C1)/C(=C/c1ccncc1)C2)c1ccc(Cl)cc1 96018891 JTWVODQPEDYUIK-VOMPUTFMSA-N 354.837 4.171 0 3 FIAF Cc1ccc([C@@H]2OC(=O)O[C@]3(c4ccc(C)cc4)CCN(C)C[C@@H]23)cc1 13804578 BGZGKVAVORWNIY-ONTIZHBOSA-N 351.446 4.359 0 1 FIAF O=C(O)CCCCCC[C@H]1C(=O)CC[C@H]1/C=C/[C@@H](O)COc1ccccc1 14951540 NZGFSDWJUZOAAX-NIRYOJAWSA-N 374.477 4.003 0 1 FIAF CN(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(O)c1 35906693 GYCSOBHVCMWJAF-UHFFFAOYSA-N 356.429 4.373 0 1 FIAF O=C(C1CCCCC1)N1CC[C@@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 51076630 BGYAHXZUXJBXMU-CYBMUJFWSA-N 365.399 4.478 0 1 FIAF biogenic Cc1nc2sc(C(=O)N[C@H](C)c3ccncc3)c(N)c2c(C)c1Cl 95596391 MASGXHRYZTWEAK-SECBINFHSA-N 360.870 4.035 0 1 FIAF O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1c(Cl)cccc12 100018360 ZUTWXMCBRLBHOE-UHFFFAOYSA-N 357.772 4.140 0 1 FIAF Oc1ccc2c(c1)O[C@@H](CNCc1ccc(OCCCCF)cc1)CC2 103268391 SJWQSMJRDZSNPL-HXUWFJFHSA-N 359.441 4.004 0 1 FIAF COC(=O)c1c[nH]n2c(NC3CCCCC3)c(-c3cccc(C)c3)nc12 103618885 XXXROODNXWRWHP-UHFFFAOYSA-N 352.438 4.169 0 1 FIAF O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2ccc(F)cc2)O1 167876429 VGSFZUMJEUHHRV-NHCUHLMSSA-N 358.372 4.143 0 1 FIAF Cc1nn(-c2ccccc2)c2c1c(=O)oc1ccc(Br)cc12 169426981 NBQXIBXQMPJZBW-UHFFFAOYSA-N 355.191 4.203 0 1 FIAF Cc1ccnc(COc2ccc(C)nc2-c2ccc3c(c2)CCNCC3)c1 205447100 KUVJIFPAOJEBMN-UHFFFAOYSA-N 359.473 4.028 0 1 FIAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(O)cccc1O 215523681 LRIUZXXHGYPCML-UHFFFAOYSA-N 365.229 4.388 0 1 FIAF CC(C)C[C@@H](NC(=S)NCc1ccccc1)c1nc2ccccc2[nH]1 299820264 CVZJFJUIWCNDFG-GOSISDBHSA-N 352.507 4.314 0 1 FIAF Cc1ccc(NC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 299857819 DBIAKDYDOUVVHQ-UHFFFAOYSA-N 351.431 4.466 0 1 FIAF Cc1ccc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)cn1 586987787 GGGISUXMMNJBNN-UHFFFAOYSA-N 352.393 4.446 0 1 FIAF COc1ncccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987952 INQLCTZKYCSGFX-UHFFFAOYSA-N 354.365 4.222 0 1 FIAF COc1cccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988852 XTEQOSGHVUHYMB-UHFFFAOYSA-N 354.365 4.222 0 1 FIAF Brc1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587042987 WXBBOCAOZBQCFD-HUUCEWRRSA-N 374.307 4.272 0 1 FIAF COC(=O)c1ccnc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c12 587077352 VLTIJCHSZSQROI-UHFFFAOYSA-N 364.792 4.127 0 1 FIAF Fc1cc(Br)ccc1-c1nc2ccnc(Br)c2[nH]1 587142910 QKGALXSTMSROAL-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF Cc1ccc(C)c2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12 587143629 BULOOJZRPZLXAB-AWEZNQCLSA-N 362.246 4.324 0 1 FIAF COc1ccc(NC(C)(C)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587201192 JLBVDFBHVPURCS-UHFFFAOYSA-N 350.344 4.333 0 1 FIAF COc1ccc2[nH]c(C)c(Cc3c(C)nc4cccc5c4c3CC5)c(=O)c2c1 587211230 BPDMNXVBDXSUGM-UHFFFAOYSA-N 370.452 4.391 0 1 FIAF Cc1c(Br)cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1C 587252067 UULRRRKOOGQOCK-UHFFFAOYSA-N 372.266 4.340 0 1 FIAF COc1cc(SC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587407903 CPOXWTPJUXKUIZ-OAHLLOKOSA-N 359.447 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4nc(Cl)ccc41)[C@@H](C2)C3=O 587422255 SNZBTNPUKWMYBP-QKKBWIMNSA-N 369.848 4.359 0 1 FIAF Nc1cccc([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512346 WZXQXYIIKXVOCN-DEOSSOPVSA-N 370.452 4.452 0 1 FIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525045 PGKGDZWRAHBBFH-GHNFSYLKSA-N 356.462 4.269 0 1 FIAF C[C@]1(C(F)(F)C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543581 CMVNZWWXMSMWBB-WBMJQRKESA-N 356.271 4.013 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(F)cc12 587572271 UTPJVGDWFBAWNX-DENIHFKCSA-N 362.356 4.335 0 1 FIAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)cn1 587630271 XJPQUHPNZACWFF-UHFFFAOYSA-N 359.710 4.427 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nccnc23)N1 587778603 NGZWAMNMLYGZIM-DYZYQPBXSA-N 372.241 4.155 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nc[nH]c3c2)N1 587803364 PODRUAPMUJGBFU-HUTHGQBESA-N 360.230 4.088 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccncc1Cl 587868595 PBGNUBNEOWEWGA-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF COc1ccc(OC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587943559 ITLHAJMJVHUVPX-UHFFFAOYSA-N 373.355 4.130 0 1 FIAF c1cncc(CN2CCc3sccc3[C@H]2c2ncc(-c3cccnc3)o2)c1 962998655 OGULDGIGQGJKFZ-FQEVSTJZSA-N 374.469 4.341 0 1 FIAF COc1cc2c(cc1[C@@H]1c3ccc(F)cc3C[C@@H]3CCCN31)O[C@H](C)C2 963114572 UUVUYEIKIZGIMK-BUTRMIIQSA-N 353.437 4.268 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccnc(Br)c1N 963232136 CRUZGKKLJVVDPZ-YVEFUNNKSA-N 360.299 4.172 0 1 FIAF O=C1[C@@H]2C=CC=C[C@H]2[C@@H](c2cc(F)cc(F)c2)N1c1ccc2nc[nH]c2c1 1772611408 VNSIXYYNRQNFCG-MBOZVWFJSA-N 363.367 4.287 0 1 FIAF C[C@H](C1CC1)n1cnc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 1857571527 TZKWAPHOTJVAKY-LLVKDONJSA-N 361.371 4.428 0 1 FIAF CC[C@H](C)Sc1nc(O)c(C)c([C@@H](OC)c2c(F)cccc2F)n1 1857601850 HYFILTOLHVUOFD-VFZGTOFNSA-N 354.422 4.395 0 1 FIAF COc1ccc(-c2cc(NC(=O)c3ccc(Cl)cc3O)cnc2O)cc1 1857635756 IPCQYRBPAJPQCZ-UHFFFAOYSA-N 370.792 4.074 0 1 FIAF O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1 1857645948 JYPXATASHXXQOT-SAABIXHNSA-N 372.396 4.036 0 1 FIAF O=C([C@H]1CC12CCCC2)N1CCC(CO)(Cc2ccccc2Cl)CC1 11702057 JEOIWVMAJLKNEW-QGZVFWFLSA-N 361.913 4.064 0 3 FIAF O=C(c1nc(C(F)(F)F)[nH]c1-c1ccccc1)N1CCc2ccccc2C1 72134055 FCSLILHEGJBREI-UHFFFAOYSA-N 371.362 4.294 0 3 FIAF Cc1ccccc1S(=O)(=O)N1CCCc2nc(-c3ccccc3)ccc21 199725230 QCDHKGJXYWCAOT-UHFFFAOYSA-N 364.470 4.199 0 3 FIAF Cc1ccc(C2=NC[C@H](C)n3c2c2ccc(C(F)(F)F)cc2[n+]3[O-])cc1 206060790 JZHQKDPMVPGMKR-LBPRGKRZSA-N 359.351 4.014 0 3 FIAF CCCN1CCC[C@@H](c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)C1 13738260 HFJQAHIKNXSVRM-LJQANCHMSA-N 373.518 4.352 0 1 FIAF COc1c(OCC=C(C)C)cc(O)c2c1O[C@H](c1ccccc1)CC2=O 14807162 RDYDGPWHUHFVIP-KRWDZBQOSA-N 354.402 4.452 0 1 FIAF biogenic Oc1cccc2c1[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 27108018 MGZRIZNFYLISSD-UGKGYDQZSA-O 356.401 4.290 0 1 FIAF CCc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O 36161221 VHZCSJMSHGGKLM-UHFFFAOYSA-N 356.381 4.140 0 1 FIAF COc1ccc(-n2c(COc3ccccc3)nnc2SC(C)C)cc1 39767580 MMOUSLOXVCWIEE-UHFFFAOYSA-N 355.463 4.355 0 1 FIAF Cc1c(-c2ccnc(N)n2)sc2ccc([C@H](N)c3cccc(O)c3)cc12 49047843 QCUUDSQQOCLPFV-GOSISDBHSA-N 362.458 4.003 0 1 FIAF CCCCC[C@H](O)/C=C\[C@H]1[C@H]2C/C(=C\CCCC(=O)O)C[C@H]2C[C@H]1O 95911015 XZFRIPGNUQRGPI-WDOLNOAKSA-N 350.499 4.072 0 1 FIAF in-vitro COc1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620795 UIWIDYSPPPGYID-IRLDBZIGSA-N 360.457 4.288 0 1 FIAF Cc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3scnc3C)c2)cc1 113763741 ZONBYIKECLGYMW-CQSZACIVSA-N 366.486 4.205 0 1 FIAF CSc1nn(-c2ccccc2)c2cc(NCC3CCNCC3)ccc12 169706032 AVXUTMWGWLJUIZ-UHFFFAOYSA-N 352.507 4.159 0 1 FIAF Nc1nnc(-c2ccc3[nH]cc(-c4cccc(NCC5CC5)n4)c3c2)s1 204776561 QPMFXQPTRYIZIM-UHFFFAOYSA-N 362.462 4.153 0 1 FIAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CC[C@@H](O)/C=C/C=C\2 299822321 OBCZFFLHSKKTIO-YJTKHTMFSA-N 354.402 4.078 0 1 FIAF CC(C)(SCC(=O)O)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586960652 XGZGZYMEKRYRAO-UHFFFAOYSA-N 352.765 4.288 0 1 FIAF Fc1cc2[nH]c(-c3ncoc3CCC(F)(F)F)nc2cc1-n1cccn1 587092426 OMJFSIMODYZUCE-UHFFFAOYSA-N 365.290 4.038 0 1 FIAF FC(F)(F)CCc1ocnc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587092511 QJLKDUDWUWZAFI-UHFFFAOYSA-N 351.115 4.415 0 1 FIAF Cc1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)co1 587340516 SXNPFPWJCUPGOZ-UYAOXDASSA-N 353.349 4.102 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc(Br)c1)CC2=O 587458847 LSYUEYNGTUSOKJ-OAHLLOKOSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H]1CCOC1)CC2=O 587493845 WJEQEFCPTXNKEY-ZHRRBRCNSA-N 352.430 4.242 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1C(F)F 587552431 ACCWFAANKRXHBK-MAUKXSAKSA-N 357.312 4.292 0 1 FIAF COCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587596393 VLXGUZYKUDKPLJ-UGKGYDQZSA-N 362.381 4.242 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C(F)F)N1 587719358 QFLLBJAKMSVBLT-XLKFXECMSA-N 359.189 4.408 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)ccc2F)N1 587725636 FSBDFODUGXACKO-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF Cc1cc2c(cn1)[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587776476 CZHIOBUWGLEZSH-ADLMAVQZSA-N 361.258 4.016 0 1 FIAF COCC[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587794741 PTYLPFVICAFOSM-PLQHRBFRSA-N 356.279 4.154 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCCO3)CC2)N1 587837614 JFKGIUIRNRBWTB-RGZNSWCXSA-N 368.290 4.441 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)cs2)N1 587852744 IJLVWNSLBNQKPI-QTTZVWFDSA-N 361.667 4.322 0 1 FIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)cc(OC)c2[nH]1 587926596 JMDGNNMJQOBTPQ-CQSZACIVSA-N 356.422 4.139 0 1 FIAF O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587961671 NCJUIAUOUNSPKC-UHFFFAOYSA-N 368.742 4.453 0 1 FIAF CCn1c([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)nc2ccccc21 962639130 YADMTRAHCPXJFL-QKKBWIMNSA-N 365.477 4.039 0 1 FIAF CC[C@@H]1CCC[C@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963172500 DAMWUTCXJXJAHO-HQQWDMGQSA-N 361.791 4.363 0 1 FIAF Nc1c2c(nc3c1C[C@H](c1c(Cl)cccc1Cl)C(=O)N3)CCCC2 1857577410 IOPTYGHMLDGMEX-SNVBAGLBSA-N 362.260 4.128 0 1 FIAF Clc1ccc(-c2[nH]c3cc4c(cc3c2Cn2ccnc2)OCO4)cc1 1857630902 ZQQMRBLNAWYAND-UHFFFAOYSA-N 351.793 4.462 0 1 FIAF COc1ccc([C@H](O)CCN2CC=C(c3ccc(F)cc3)CC2)c(OC)c1 1857631862 ZRTKKYAAQZNFLC-OAQYLSRUSA-N 371.452 4.056 0 1 FIAF CCCCC(=O)N(CCCC)[C@H](C(=O)NC1CCCCC1)c1cccnc1 2356847514 OWZKBRQMADCATN-NRFANRHFSA-N 373.541 4.391 0 1 FIAF O=C1CN(C(=O)c2ccccc2)[C@H](c2ccccc2)c2cc(F)ccc2N1 2494127 IGFKBDLQKGAYTP-OAQYLSRUSA-N 360.388 4.010 0 3 FIAF Cc1nc2ccccc2c2oc(C(=O)NCCCN3CCC[C@H](C)C3)cc12 4902808 YREDJXQACJRXDM-HNNXBMFYSA-N 365.477 4.141 0 3 FIAF CC(=O)c1cccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3CC(C)C)c1 1369489 PVWFPVREPQVZNU-PMACEKPBSA-N 357.498 4.052 0 1 FIAF CCN(CC)c1ncnc2sc(C(=O)NCCC3=CCCCC3)c(C)c12 2925843 VZVZVUPBJOJIAW-UHFFFAOYSA-N 372.538 4.466 0 1 FIAF CN(C)C(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 6738672 ZZFNPRAZRDJCOW-RBUKOAKNSA-N 368.502 4.060 0 1 FIAF O=C1c2c(O)cccc2C(Sc2ccccc2O)c2cccc(O)c21 13757271 MPUJRKQDDPBUEF-UHFFFAOYSA-N 350.395 4.230 0 1 FIAF O=C1C[C@]2(CCCc3ccccc32)OC(=O)[C@H]1SCCc1ccccc1 13766501 GYQBSBLOVKEGNS-UNMCSNQZSA-N 366.482 4.079 0 1 FIAF COc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1)CC2=O 14819320 OWTSKJPRWFIYHU-SFHVURJKSA-N 354.402 4.322 0 1 FIAF biogenic CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)CCc3c(cc4occc4c3C)[C@@]12C 14883751 HXWQDWYRBCPQLK-BAGYTPMASA-N 356.462 4.428 0 1 FIAF biogenic Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1cccc(Cl)c1 38932702 BZQLNYLDFAQCPR-UHFFFAOYSA-N 367.884 4.067 0 1 FIAF COc1cc(OC)c(NC(=O)Nc2cc(C)nc3cnccc23)cc1Cl 64252016 QJAMQUNQXSSCMQ-UHFFFAOYSA-N 372.812 4.253 0 1 FIAF CCCCNC(=O)c1cnc(NC2CCCC2)nc1-c1cccc(C)c1 82145141 JZZPHXXSQVSZIW-UHFFFAOYSA-N 352.482 4.336 0 1 FIAF CCc1cnc(-c2cnc(NCCCOC)nc2-c2ccc(F)cc2)s1 82164118 KIBWYBRTTONNGK-UHFFFAOYSA-N 372.469 4.417 0 1 FIAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1ccc2ccccc2n1 167719105 GZFRFSACPUEMRQ-SFHVURJKSA-N 362.429 4.116 0 1 FIAF FC(F)(F)Oc1ccc(-c2ccc3ncc(-c4ccncc4)n3n2)cc1 169306634 LTVVUURTKYQRKX-UHFFFAOYSA-N 356.307 4.357 0 1 FIAF O[C@H]1CC[C@H](Nc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)CC1 261162716 RDKWMHIZIUBHBT-WGSAOQKQSA-N 358.445 4.265 0 1 FIAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C=CC2 299827310 XLMIWWTWXVUXRY-UHFFFAOYSA-N 356.443 4.031 0 1 FIAF COC(=O)c1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2c1OC 586970476 FKXRPVFCEDIVBM-UHFFFAOYSA-N 370.474 4.142 0 1 FIAF COc1cc(-c2nc3cncc(OC)c3[nH]2)cc(Cl)c1OCC(C)C 587045860 HFPWQZJLMARYNV-UHFFFAOYSA-N 361.829 4.330 0 1 FIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(ccc3ncccc32)[nH]1 587148350 IHZAYMGXJQOGST-UHFFFAOYSA-N 361.355 4.457 0 1 FIAF CC[C@H](C)n1ncc(I)c1-c1nc2ccccc2[nH]1 587181147 NOJFIHKKBGQRBM-VIFPVBQESA-N 366.206 4.002 0 1 FIAF COc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1F 587197590 JGUKSCKSKCPGQO-OAHLLOKOSA-N 351.422 4.275 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCN(Cc3ccccc3)C1)CC2=O 587475126 MHGRDOUSCNOPRK-QHCPKHFHSA-N 365.473 4.345 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3ccc(OC)cc31)CC2=O 587491150 NICFQGPHLFKMHE-JOCHJYFZSA-N 368.429 4.387 0 1 FIAF COCCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522990 MGWPSDHMUFKQSC-QHCPKHFHSA-N 366.457 4.471 0 1 FIAF COC(=O)[C@@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526336 SPCAQDCENGQRIE-HSZRJFAPSA-N 364.441 4.075 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccoc2c1 587589536 XTOGCRKZDHSSCH-NQIIRXRSSA-N 359.337 4.236 0 1 FIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1cccc(C(F)(F)F)c1 587648928 CWEUBCRYJVGNDE-UHFFFAOYSA-N 367.392 4.489 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccnc2Cl)N1 587714819 BRYDGFYHMAPPGD-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF Cc1[nH]c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587789053 BJLFXAVJQNASJT-RBHXEPJQSA-N 351.263 4.465 0 1 FIAF CC(C)COCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798082 XHUVUONDROFOSA-SJCJKPOMSA-N 358.295 4.400 0 1 FIAF CC[C@]1([C@@H]2CCOC(C)(C)C2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962645572 ZXZWCWFVFJCREZ-JLDZCNIISA-N 361.526 4.391 0 1 FIAF C[C@@]1(c2nc(Br)cs2)c2ccc(F)cc2C[C@@H]2CCCN21 963110520 VPEWADYYLSDBGJ-LRDDRELGSA-N 367.287 4.329 0 1 FIAF CCCOc1ccc(-c2oc3cc(OCCC)cc(O)c3c(=O)c2O)cc1 1911575231 LDDTZQYIAUCISE-UHFFFAOYSA-N 370.401 4.449 0 1 FIAF C=CC(=C[C@]1(C)CCCC(C)(C)C1)[C@@H]1[C@H](OC(C)=O)O[C@@H]2OC(=O)C[C@@H]21 2356617643 LKUHGEWOMPMDBN-UJVKHXRXSA-N 362.466 4.130 0 1 FIAF O=C(c1ccc2c3n(nc2c1)-c1ccc(Cl)cc1CO3)N1CCCCC1 13657613 OGDXGGGUDNDVAT-UHFFFAOYSA-N 367.836 4.197 0 3 FIAF O=C1CN(C(=O)C2CCCC2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2456403 LNYXNGAWHMOKLR-HXUWFJFHSA-N 370.399 4.025 0 1 FIAF CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(CC)c1=O 13536120 HYMBCLYOGVIEQQ-UHFFFAOYSA-N 371.525 4.490 0 1 FIAF Oc1cc(Cl)ccc1NC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579707 VFGNUALDWSFGBL-MRXNPFEDSA-N 367.276 4.012 0 1 FIAF CCCC[C@H](Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)O 13864244 AYWCVFIRUJOPDQ-SFHVURJKSA-N 368.385 4.188 0 1 FIAF COc1ccc2c(c1)O[C@H]1c3c(cc4c(c3OC)CCC(C)(C)O4)OC[C@H]21 14613212 QWZQKTKRYJMEKY-QVKFZJNVSA-N 368.429 4.417 0 1 FIAF biogenic CCc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12 14968496 VEVDGOPJKLREFE-UHFFFAOYSA-N 352.278 4.022 0 1 FIAF Cc1cc(O)cc(C)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O 28331873 AIKONZJJWSDYSZ-UHFFFAOYSA-N 372.428 4.062 0 1 FIAF Cc1cc(=O)nc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 39247888 LMVDCUMHQOCFPE-UHFFFAOYSA-N 370.239 4.199 0 1 FIAF CC(C)CC(C/C=C1/C[C@](O)(COC(=O)C(C)(C)C)OC1=O)CC(C)C 45358174 DYPYAFVOTZYYQA-VYBYYTRPSA-N 368.514 4.236 0 1 FIAF COc1cc2ncnc(N(C)c3ccc(C(F)(F)F)cc3)c2cc1OC 64454370 FANJKQKDTHLRAF-UHFFFAOYSA-N 363.339 4.434 0 1 FIAF COc1ccc(-c2csc(NC(=O)c3c(C)noc3C)c2)cc1OC 96282756 CZRBSKTZIPKBSL-UHFFFAOYSA-N 358.419 4.289 0 1 FIAF CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)n1)c1ccc(Cl)c(C)c1 118394497 BTNIDAJCECCZLC-GOSISDBHSA-N 373.884 4.123 0 1 FIAF Cc1ccc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)cc1 142310914 UMUWRRNZZXKOAY-UHFFFAOYSA-N 365.462 4.310 0 1 FIAF CC[C@H](C)c1cc(Oc2c(C)cc(C[C@@H](N)C(=O)O)cc2C)ccc1O 169342202 CXVQAKBCGAUNCQ-KPZWWZAWSA-N 357.450 4.269 0 1 FIAF CC(=O)O[C@H]1/C=C(\C)CC/C=C(\C)[C@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169364160 CLLDSYFHQCFUQA-NXGRYAKRSA-N 364.526 4.325 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586899337 YMSALUKKKMTMDX-UHFFFAOYSA-N 357.413 4.304 0 1 FIAF Cc1csc(SCc2ccc(-c3nc4c[nH]c(=N)cc4[nH]3)cc2)n1 587021942 RHOVOBOGIPGXDB-UHFFFAOYSA-N 353.476 4.095 0 1 FIAF COc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)cc(Cl)c1O 587046424 TXROYDXLWQZEBO-UHFFFAOYSA-N 371.593 4.499 0 1 FIAF C[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)c1ccccc1C(F)(F)F 587097505 JSNWSBOLSGQRCT-LLVKDONJSA-N 361.367 4.435 0 1 FIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587116506 ZWJNUCHEVKHFOS-UHFFFAOYSA-N 370.549 4.337 0 1 FIAF COc1cccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c12 587241951 LSMKRDCTOINTOU-UHFFFAOYSA-N 355.394 4.291 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(COC)c1)CC2=O 587481739 RXYYVHGRUNYOIX-QFIPXVFZSA-N 370.445 4.380 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn3ccccc3n2)N1 587773802 JRZZGGDBRXXFPW-VOJFVSQTSA-N 374.257 4.034 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3cc[nH]c3c2)N1 587806941 WTGFEJDIGTYSAP-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF Oc1cc(-c2ccco2)c(O)n1-c1cc(F)c(Br)cc1F 587943696 NWOURIQJDMWJEZ-UHFFFAOYSA-N 356.122 4.189 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963116232 WCDAUDDYMRNPEY-CQSZACIVSA-N 359.297 4.484 0 1 FIAF COc1ccc(/C=C/c2cc(Br)cc(OC)c2O)cc1OC 1772657628 XHEVUHPZASBBGB-GQCTYLIASA-N 365.223 4.351 0 1 FIAF CC(=O)OCC(C)=CCCC(C)=CCc1cc(C=CC(=O)O)ccc1O 2356331412 ISUNOKDROKKZDY-UHFFFAOYSA-N 358.434 4.268 0 1 FIAF Cc1cccc(CN2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)c1 12479817 ALDXEYSYIRNXBH-IBGZPJMESA-N 373.456 4.101 0 3 FIAF CCOC(=O)C[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 13491915 UGHBJNQFYIFUDZ-NRFANRHFSA-N 365.473 4.202 0 1 FIAF Cc1cccc(CC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1 14945188 DLKCOJJSOPSEHD-UHFFFAOYSA-N 356.425 4.087 0 1 FIAF O=C(Nc1nc(-c2ccccc2)ns1)OCC(Cl)(Cl)Cl 29402845 UEIZPIPVCSJZFC-UHFFFAOYSA-N 352.630 4.124 0 1 FIAF O=C1CSC(/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)=N1 31851309 YQGHOMAOVPGAMO-LCYFTJDESA-N 353.834 4.429 0 1 FIAF O=C(CCc1ccc(-c2cccc(O)c2)cc1)Nc1ccccc1C(=O)O 35966511 OIBIJDPQNVDTKB-UHFFFAOYSA-N 361.397 4.329 0 1 FIAF CO[C@](C(=O)OCC[C@@H]1CCCN1C)(c1ccccc1)C1CCCCC1 45167495 BUABEPGVYMMDKB-RBBKRZOGSA-N 359.510 4.136 0 1 FIAF CCN(CC)C(=O)COC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 72179695 CPXCAPBAMQTLMQ-OAHLLOKOSA-N 357.425 4.008 0 1 FIAF COc1cccc2c(C(=O)CN3CCC(Cc4ccccc4)CC3)c[nH]c12 82158285 MYFZFVQBSXPENG-UHFFFAOYSA-N 362.473 4.314 0 1 FIAF CC[C@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 101769542 BQLQSIRUAFRJJC-OWYCYUENSA-N 367.533 4.369 0 1 FIAF O=C1N=Nc2nc(CNCc3ccc(Cl)c(Cl)c3)nc3cccc1c23 169710138 AAGBFBCJUQDFAH-UHFFFAOYSA-N 372.215 4.464 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@H](Cc1ccccn1)[C@@H]2O 299870322 SJHBYTOZADGQDY-VQVZRVNCSA-N 363.501 4.473 0 1 FIAF in-vivo COc1ccc(Cc2nc3cc(Br)cc(F)c3[nH]2)c(F)c1 587148165 DHLHKSIDPKRJEC-UHFFFAOYSA-N 353.166 4.203 0 1 FIAF COc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)nn1-c1ccccc1F 587156872 UVWPESJRCBABAN-UHFFFAOYSA-N 362.408 4.442 0 1 FIAF Cc1nc2[nH]c([C@H](C)Oc3ccc(F)cc3)nc2cc1Br 587168533 IOZMFBFZIRBWPP-VIFPVBQESA-N 350.191 4.308 0 1 FIAF Cc1ccnc2[nH]c([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)nc12 587198783 OZSBKPLYIHVNEJ-KRWDZBQOSA-N 352.438 4.232 0 1 FIAF Cn1cccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342515 NYKRUPKYXWKCPU-TZIWHRDSSA-N 351.377 4.144 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cnc1Cl)O2 587374040 WQSZKPOOWNQZCK-ZDUSSCGKSA-N 367.630 4.095 0 1 FIAF CCCOc1c(OCC)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443689 XEZDVUWDYOJYCY-IERDGZPVSA-N 368.429 4.371 0 1 FIAF COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](N=O)C2 587506940 PBLFXYOSLXXWQR-IFMALSPDSA-N 363.413 4.126 0 1 FIAF COc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCCO2 587535664 MULFOQFNMTWINF-LJQANCHMSA-N 366.413 4.052 0 1 FIAF Oc1nc(O)c2ccc(-c3ccc4c(c3)Nc3ccccc3S4)nc2n1 587563523 IXJSKNAFKROEML-UHFFFAOYSA-N 360.398 4.311 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H](O)c1ccccc12 587605561 BBDWENAELMSWRT-MONBJTKQSA-N 374.392 4.077 0 1 FIAF CCCCn1ccnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587755322 OTMOGHVJWXTGGE-ZBEGNZNMSA-N 366.278 4.208 0 1 FIAF CC(C)CC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814859 WIYVUNNXYJWQFX-DIFFPNOSSA-N 356.279 4.343 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCCCC1 587868421 KWFVRCUWVVOYNI-UHFFFAOYSA-N 353.344 4.193 0 1 FIAF Oc1cc(-c2ccccc2)c(O)n1NCc1ccccc1Br 587939995 HZMFFQSFAVTPSC-UHFFFAOYSA-N 359.223 4.073 0 1 FIAF Cc1ccc([C@]2(C3CCC3)NCCc3ccc(C(=O)N(C)C)cc32)cc1C 962926326 BBMISECAYGBJML-DEOSSOPVSA-N 362.517 4.195 0 1 FIAF Cc1ccc([C@@]2(c3ccc(Cl)cc3)NCCc3ccc(O)cc32)cn1 963329791 UHZNJGKSRRXHRL-OAQYLSRUSA-N 350.849 4.187 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1cc2cccc(F)c2o1 963633438 IEJCBDSDMVMUIB-GTJPDFRWSA-N 355.409 4.387 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2C=C(C(F)(F)F)C(F)(F)F 963633528 IQBPARNSNNJGLI-WPRPVWTQSA-N 369.305 4.330 0 1 FIAF NS(=O)(=O)c1ccc(SCc2cccc(-c3ccccc3)c2)s1 1772583064 CWDPZVCRDBASOZ-UHFFFAOYSA-N 361.513 4.355 0 1 FIAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@H]2[C@H]1[C@@H]1C[C@H](C)[C@H]3CC[C@@](C)(O3)[C@@H]2O1 2356395520 QZJZTABPQUIWIH-WQFOCXJUSA-N 364.526 4.352 0 1 FIAF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1 2382258187 NHCNWQVFTNLDJV-UHFFFAOYSA-N 372.412 4.386 0 1 FIAF COc1ccc([C@H]2C[C@@](O)(c3ccccc3)Oc3cc(OC)ccc32)cc1 13661714 AAJXZKMGUIMSEV-GGAORHGYSA-N 362.425 4.464 0 3 FIAF CC[C@H]1CC[C@H](C)N(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 2499510 LBQBVEOMGIXIIR-HOTGVXAUSA-N 362.477 4.336 0 1 FIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)[C@H]5COC[C@]43C5)[C@@H]1CC[C@@H]2OC1CC1 25963846 NXHVROPEBMRJEZ-CXGTYBTPSA-N 358.522 4.094 0 1 FIAF CCOC(=O)N1CCC[C@@](OCC2CCCCC2)(c2ccccc2)C1=O 26172416 OVGHNTORXYBOFU-OAQYLSRUSA-N 359.466 4.258 0 1 FIAF CN1C[C@@H](c2cccc(OCc3ccc4ccccc4n3)c2)OC1=S 26180717 WPYQUFIGCFXQCO-IBGZPJMESA-N 350.443 4.102 0 1 FIAF Cc1ccc2nc(-c3ccc(N)cc3I)sc2c1 27080266 UZFKVNMLLBRTKW-UHFFFAOYSA-N 366.227 4.459 0 1 FIAF O=C(CCc1ccc(-c2ccc(O)cc2)cc1)Nc1ccccc1C(=O)O 35950310 VBPMQBZODXGVDD-UHFFFAOYSA-N 361.397 4.329 0 1 FIAF Cc1cc(-c2c(F)cc3/c(=N/N(C)C)ccn(C4CC4)c3c2F)cc(C)n1 38361460 XQOLHHOAULKXMU-XIEYBQDHSA-N 368.431 4.311 0 1 FIAF O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1 43020966 PGLSPMQRWMIFOQ-UHFFFAOYSA-N 352.384 4.312 0 1 FIAF in-vivo COc1cc2occ(-c3cccc(N4CCCC4)c3)c(=O)c2cc1OC 45339709 JTVKURNUAOPANW-UHFFFAOYSA-N 351.402 4.077 0 1 FIAF CCOC(=O)c1ccc2c(c1)c1c(c(-c3ccc(Cl)cc3)[n+]2C)CCO1 49048930 AYYQAUIZWAMKPD-UHFFFAOYSA-N 368.840 4.096 0 1 FIAF COCCn1c(C2CCCCC2)nc2c(NCc3cccs3)ncnc21 82190342 DBZYIFQKSJGQAN-UHFFFAOYSA-N 371.510 4.194 0 1 FIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccccc3Cl)ccc12 96905956 RLSAZPAKCPDUGO-LJQANCHMSA-N 370.861 4.269 0 1 FIAF CN1Cc2cc(N3CCOCC3)ccc2[C@@H](c2ccc3ccsc3c2)C1 150078333 RAPYOTFVDQSFNZ-OAQYLSRUSA-N 364.514 4.315 0 1 FIAF Cc1ccc(OCC(=O)C(O)(Cc2ccccc2)Cc2ccccc2)cc1 169334095 RTTLVJBSVFAGDD-UHFFFAOYSA-N 360.453 4.159 0 1 FIAF COc1cccc([C@@H]2CCCN2Cn2c(=O)oc3ccc(Cl)cc32)c1 169341762 PENVCRYUUFSYPT-INIZCTEOSA-N 358.825 4.051 0 1 FIAF N=C(CC1CCCCC1)[P@@](=O)(O)C[C@@H](Cc1ccc(F)cc1)C(=O)O 169718202 QMNSNNIDXYDZAS-OAHLLOKOSA-N 369.373 4.287 0 1 FIAF CCCC[C@H](O)C1=CC[C@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@H]3C1 194988233 DJYWGBMTZMYDEB-LDVJMBRRSA-N 355.522 4.081 0 1 FIAF N[C@H]1CCC[C@@H](c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205247039 NCUPLGKFMQIZFI-ZBFHGGJFSA-N 370.460 4.067 0 1 FIAF Oc1nc2cc3nc(/C=C/c4c(F)c(F)c(F)c(F)c4F)[nH]c3cc2[nH]1 587134142 JFPDSDWVPVNDHE-OWOJBTEDSA-N 366.249 4.011 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cc(Br)c(F)cc3F)nc2c1 587135932 IMFXWJCTRSNLEB-UHFFFAOYSA-N 369.165 4.288 0 1 FIAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1nccs1 587207692 IXDAHLRDVTXBOF-UHFFFAOYSA-N 356.406 4.328 0 1 FIAF CC(=O)NC1(c2nc3cc(Br)c(F)cc3[nH]2)CCC(C)CC1 587234134 GYSLUKLTFQANHV-UHFFFAOYSA-N 368.250 4.006 0 1 FIAF CC(C)(C)[C@H](N)c1nc2cc(Br)c(Br)cc2[nH]1 587257485 BNZSPUBVGUZVES-SNVBAGLBSA-N 361.081 4.134 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccccc3Cl)c1)O2 587379429 UUXGKZLBLKCIGZ-SFHVURJKSA-N 353.809 4.123 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Cl)ccc1C(F)(F)F)O2 587380298 DAXQUDJUYGKHER-GFCCVEGCSA-N 356.731 4.351 0 1 FIAF CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587401803 YNNHHJKFVAJWBI-GLMTYESASA-N 371.477 4.227 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ncc(-c4ccc(C)cc4C)o1)[C@@H](C2)C3=O 587436070 LFSKJMVHQAVVGW-HRAATJIYSA-N 361.397 4.456 0 1 FIAF COC(=O)CCCCCCCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441415 FIYBXBYRYWKXBU-DLBZAZTESA-N 360.450 4.105 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(O)cc1)[C@@H](C2)C3=O 587449482 JTCVLKRJLWZEOH-WMZHIEFXSA-N 358.393 4.092 0 1 FIAF CN(C)c1nccc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509563 VEPZBSHTBLZXBK-KRWDZBQOSA-N 356.853 4.386 0 1 FIAF O=C(NC1CC1)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511368 KAFYPOXUTKGUSM-NRFANRHFSA-N 361.441 4.164 0 1 FIAF COc1ccc(OC(C)=O)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521418 CAHIVKNWJPMQTH-NRFANRHFSA-N 366.413 4.206 0 1 FIAF Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 587612617 MECYPDLXBHLVOY-OXQOHEQNSA-N 367.426 4.343 0 1 FIAF Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587795492 XONKZJLFAAMOIF-GTNSWQLSSA-N 351.263 4.331 0 1 FIAF Cc1c[nH]c2c1[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804483 RCDDBTBLQAVPEJ-VOJFVSQTSA-N 363.274 4.339 0 1 FIAF COc1cc(C2(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)CC2)ccc1C 587925867 FAWFWXAFQILQBO-UHFFFAOYSA-N 362.408 4.285 0 1 FIAF C[C@]1(c2ccc(NC(N)=S)cc2)NCCc2cccc(-c3ccccc3)c21 962672884 UFFNAADJAZYPAR-HSZRJFAPSA-N 373.525 4.418 0 1 FIAF CCC[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963604015 DGRAUMCOSGHBCZ-OYHNWAKOSA-N 355.478 4.290 0 1 FIAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCc4cccs4)cc3)c12 1772630705 MDWDLNIDUNDEFN-UHFFFAOYSA-N 363.446 4.317 0 1 FIAF CC(=O)O[C@H]1[C@H]2[C@@H](C)c3ccoc3C[C@H]2[C@@]2(C)CCCC(C)(C)[C@H]2[C@H]1O 2356338347 UZCILNJWHPOAGV-DSZOKPPHSA-N 360.494 4.310 0 1 FIAF O=C1[C@H]2[C@@H]3S[C@@H](c4ccc5ccccc5c43)[C@H]2C(=O)N1c1ccccc1 5883321 ZFPGOEXUFNQOHD-ZGXWSNOMSA-N 357.434 4.488 0 1 FIAF Fc1ccc(CN2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc1 21038941 USDQMALUKRTOIU-UHFFFAOYSA-N 352.388 4.057 0 1 FIAF CC(C)(C)OC(=O)Nc1ccc(-c2cc(/C=C3/CN4CC[C@H]3C4)on2)cc1 26669299 GXHNERMILLSZQF-HEUOVEHFSA-N 367.449 4.408 0 1 FIAF O=C1c2cc(I)ccc2S[C@@H]1c1ccccc1 45321800 QXJRDHPRFWHQGU-CQSZACIVSA-N 352.196 4.321 0 1 FIAF CN1C[C@H]2CCN(c3ccc(-c4ccc(Br)cc4)cc3)[C@H]2C1 62178519 CORVHUIUUFFPND-APWZRJJASA-N 357.295 4.256 0 1 FIAF CCN(CCNCc1coc(-c2ccc(OC)cc2)n1)c1cccc(C)c1 72185605 ZOSLJGRQXKRXEV-UHFFFAOYSA-N 365.477 4.275 0 1 FIAF Cc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Br)c1)C1=C(CCCC1)N2 103157193 JEFCDZJPJLDJED-OAHLLOKOSA-N 372.266 4.226 0 1 FIAF Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2nnnn12 169352550 VDMMJXOUQVUPIY-UHFFFAOYSA-N 352.401 4.157 0 1 FIAF CCCc1ccccc1OCCCOc1cccc(-c2oc(=O)[nH]c2O)c1 169717756 WBRLWOURZVEXKV-UHFFFAOYSA-N 369.417 4.141 0 1 FIAF CC(C)[C@H](CO)NCc1cccc(-c2ccc(F)c(C(F)(F)F)c2)n1 204407814 WFGBKQKYVNGQNQ-KRWDZBQOSA-N 356.363 4.013 0 1 FIAF COc1cc(/C(=C\c2ccccc2SC)C(=O)O)cc(OC)c1OC 205035109 MHSOYUNLKMZWDN-NTEUORMPSA-N 360.431 4.060 0 1 FIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnccc3[nH]2)C[C@@H]2CCCC[C@@H]21 587026389 LDCNAMOAVPURHY-WBAXXEDZSA-N 366.490 4.094 0 1 FIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cccnc3[nH]2)C[C@H]2CCCC[C@H]21 587027227 QUHQKSBONWCDJZ-OIISXLGYSA-N 366.490 4.094 0 1 FIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587052973 WFCRENHTEINJTO-LLVKDONJSA-N 355.747 4.183 0 1 FIAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)cnc3[nH]2)c1F 587153163 WPZLVPWVXXAVOD-NXEZZACHSA-N 350.166 4.270 0 1 FIAF C[C@@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173079 UKXURKXMKATTTO-KRWDZBQOSA-N 364.298 4.349 0 1 FIAF CC(C)(C)OC(=O)N1C[C@H]2CCc3c(nc4cccc5c4c3CC5)[C@H]2C1 587211715 IBSQIQZKGGQGFH-PBHICJAKSA-N 350.462 4.230 0 1 FIAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587244213 MKUSUMKSSFWMDK-UHFFFAOYSA-N 371.396 4.253 0 1 FIAF CCn1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587343466 TXMWVXCCRUMUNG-CTNGQTDRSA-N 366.392 4.022 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(NCc3ccccc3)CC1)O2 587390644 PEXDTCLHOYYRCL-UHFFFAOYSA-N 350.462 4.014 0 1 FIAF COc1ccc2c(OC)ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587404094 VCJAPWIMNKGPIP-NRFANRHFSA-N 363.413 4.454 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1CO[C@@H]1CCCCO1)O2 587407569 CPZFSNHWSOYXKG-NHCUHLMSSA-N 367.445 4.327 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)cc1C(F)(F)F)[C@@H](C2)C3=O 587422855 VJZYCTSYMMYQLT-KSSFIOAISA-N 364.319 4.082 0 1 FIAF CCCCn1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 587433456 YMSPJVTWYBRVFG-VFNWGFHPSA-N 362.429 4.334 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(Br)s1)[C@@H](C2)C3=O 587451692 LMNZRASUKBFUAY-ZUZCIYMTSA-N 365.248 4.316 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(O)c(OC)c1)CC2=O 587477630 HSIGQPPHTACPGI-JOCHJYFZSA-N 370.445 4.416 0 1 FIAF CN[C@@H](C)[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508264 AGUYAMWDLWMZFV-NPMXOYFQSA-N 365.473 4.043 0 1 FIAF CN(C)CCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508388 VLYQPXJHKQBOTJ-JOCHJYFZSA-N 365.473 4.212 0 1 FIAF C[C@]1(c2ccc(O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556891 KWOQWGAOVFPVOM-GHTZIAJQSA-N 366.344 4.114 0 1 FIAF C[C@@]1(c2c[nH]c3cccnc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587773 HTRJOXXQXYIMEP-GCJKJVERSA-N 372.380 4.146 0 1 FIAF C[C@]1(c2ccccc2C=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604045 UEOAGGCZVFVWEO-SIKLNZKXSA-N 360.365 4.082 0 1 FIAF CCC[C@H](O)[C@]1(CCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608233 KKEGSZOXRLQPDX-WFXMLNOXSA-N 356.418 4.054 0 1 FIAF O=C(c1cc2c(F)cccc2s1)n1ncc2ccc(Cl)cc2c1=O 587651817 FCSLPRJANIQWGH-UHFFFAOYSA-N 358.781 4.092 0 1 FIAF O=C(CCc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659197 YUIBZVJCZSDHRD-UHFFFAOYSA-N 372.399 4.476 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CF)n2)N1 587721090 VNMRGTVVVTWTSA-ABKXIKBNSA-N 353.210 4.076 0 1 FIAF CCc1cccnc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587773900 SAXNDBRLQHYKES-ADLMAVQZSA-N 363.274 4.343 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3[nH]ncc23)N1 587790418 CUMYLPLSOFOEDQ-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF Cc1cc(O)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587834807 SZJJRSRSOUEMOL-DYZYQPBXSA-N 350.231 4.226 0 1 FIAF COc1ccc2c(c1)[C@]1(CCc3cc(NC(C)=O)ccc31)N(C(C)C)CC2 962086921 DSZOLUGCNAKNNI-HSZRJFAPSA-N 364.489 4.110 0 1 FIAF COc1ccc2c(c1)[C@@H](c1cn(C)c(-c3ccccc3)n1)N(C(C)C)CC2 962096748 ZODNIVTYSVFKEA-QFIPXVFZSA-N 361.489 4.452 0 1 FIAF CC(C)(C)c1ccc2c(c1)[C@@]1(CCC2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962906652 HMMOLTGUNMFZEJ-REWPJTCUSA-N 367.464 4.302 0 1 FIAF CCCOc1ccc(Cl)cc1-c1cc(NC(C)=O)c2nnc(C)n2c1 1857550230 MWGADMZYGNTTQP-UHFFFAOYSA-N 358.829 4.105 0 1 FIAF O=C(O)[C@@H]1Cc2cc3c(-c4ccccc4Cl)noc3c(Cl)c2O1 25975982 XPEVMJIMDYPAAX-NSHDSACASA-N 350.157 4.190 0 1 FIAF COc1cc([C@@H](OC)[C@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)ccc1O 29039202 GTPIPDMTEBZKCI-QTCYRWPVSA-N 358.434 4.332 0 1 FIAF CCCCCCN1CCC(C(=O)Nc2cc(Cl)c(N)cc2OC)CC1 29466368 ZUFJRBUKCGTIHL-UHFFFAOYSA-N 367.921 4.162 0 1 FIAF COc1cccc2c1CCC[C@@H]2OCCN1CCN(C2CCCCC2)CC1 66074006 UFLGEEOGQFUFKG-QHCPKHFHSA-N 372.553 4.040 0 1 FIAF CCCCCCOc1ccc(-c2nc(C(=O)OCCN(C)C)co2)cc1 82088133 QMHYOUQBVFJLTN-UHFFFAOYSA-N 360.454 4.019 0 1 FIAF Cc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccco2)sc1C 82165688 LYFHOGZYINRXTO-CYBMUJFWSA-N 356.451 4.068 0 1 FIAF Cc1ccc(CNc2ncnc3c2nc(C(C)C)n3C[C@@H]2CCCO2)cc1 82179350 ODCSZHITSUIGMY-KRWDZBQOSA-N 365.481 4.049 0 1 FIAF COc1ccc([C@H](O)CCN2CC=C(Cc3ccccc3)CC2)cc1OC 84758428 KNEXRPBWIYIHRH-OAQYLSRUSA-N 367.489 4.002 0 1 FIAF Cc1csc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)n1 95755596 DZIYTIUMQCCYTK-UHFFFAOYSA-N 350.346 4.154 0 1 FIAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccncc2)o1 96935105 RGYKZRPWTGTUML-UHFFFAOYSA-N 350.165 4.082 0 1 FIAF CC(=O)N(Cc1cnc[nH]1)c1cc(F)cc(-c2nc3ccccc3s2)c1 96937928 DMIUYZRFQMYFCQ-UHFFFAOYSA-N 366.421 4.379 0 1 FIAF CC[C@H]1[C@H](C)C(=O)C[C@]23CCN(CC4CC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 101753984 OQUJWCCEFSDNKI-KFUOJYHTSA-N 367.533 4.225 0 1 FIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1Oc1ccccc1 143171550 IJZKTKBPFIPSJP-UHFFFAOYSA-N 374.318 4.438 0 1 FIAF COc1cccc2c1NC(=O)C(Cc1ccccc1)(Cc1ccccc1)[C@H]2O 169346083 HYAWMAVNFZJJFO-QFIPXVFZSA-N 373.452 4.153 0 1 FIAF O=C(O)CCCCCC[C@@H]1C(=O)CC[C@H]1/C=C/[C@@H](O)COc1ccccc1 169692545 NZGFSDWJUZOAAX-UCFAMONCSA-N 374.477 4.003 0 1 FIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714160 OKXWSKOAAFFTOJ-KGVYPZOGSA-N 372.553 4.127 0 1 FIAF O=C1Nc2ccc(-c3csc(-c4ccncc4)n3)cc2/C1=C/c1ncc[nH]1 221763817 NPJFQLOJSVVBGE-GDNBJRDFSA-N 371.425 4.088 0 1 FIAF O=C1O[C@](CO)(c2ccccc2)CC(O)=C1Sc1ccccc1Cl 299821726 LSIBYFGQKRPQAD-GOSISDBHSA-N 362.834 4.036 0 1 FIAF Cc1cc(NCc2ccccn2)n2ncc(-c3cc(F)c(F)c(F)c3)c2n1 473153247 ZIHVTBGRUXZZAZ-UHFFFAOYSA-N 369.350 4.129 0 1 FIAF Oc1ccc(C2(c3nc4c(Cl)cnc(Cl)c4[nH]3)CCOCC2)cc1 586911868 AHVGBYQFGZFXSD-UHFFFAOYSA-N 364.232 4.067 0 1 FIAF CC(C)(C)Cc1c(C(=O)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990516 LFHFLOUVMYJKCI-UHFFFAOYSA-N 361.397 4.439 0 1 FIAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)cnc3[nH]2)s1 587014395 KVYUKJMEDGJBGH-QMMMGPOBSA-N 367.272 4.250 0 1 FIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnccc3[nH]2)C[C@H]2CCCC[C@H]21 587026387 LDCNAMOAVPURHY-OLMNPRSZSA-N 366.490 4.094 0 1 FIAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587050151 OWYNWEKRVBVKSO-GHMZBOCLSA-N 371.231 4.117 0 1 FIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3nc(Br)ccc3[nH]2)n1 587079288 IHMGSISUSUHGGF-SSDOTTSWSA-N 354.639 4.208 0 1 FIAF Cc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1C 587163064 ZSQBMWCTPPVWLV-UHFFFAOYSA-N 355.804 4.279 0 1 FIAF N=c1ncc(-c2cccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)c[nH]1 587254164 IFFPHAUBAFDJNL-UHFFFAOYSA-N 373.313 4.257 0 1 FIAF N=c1ccc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c[nH]1 587255025 VPUSSFSAYOIULX-UHFFFAOYSA-N 357.442 4.238 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc(OC(F)(F)F)cc1)O2 587383903 XFIGAWBOMOYQPQ-CQSZACIVSA-N 365.351 4.442 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)cc1Br)O2 587384886 KMMXYAGXKBAQSO-KRWDZBQOSA-N 364.214 4.359 0 1 FIAF CCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2cc(OC)ccc21 587391289 RIAGKDNOMHEVMB-FQEVSTJZSA-N 350.418 4.267 0 1 FIAF COc1cccc(-c2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)c1 587414280 SZCZCRRJUDIRIS-QGZVFWFLSA-N 366.442 4.416 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3nn(C)cc3c1)CC2=O 587475389 LJYZKZTXFAYDJY-NRFANRHFSA-N 350.418 4.112 0 1 FIAF C[C@@]1(CC(=O)Nc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510833 XBJANSXAHSYNTB-QFIPXVFZSA-N 367.420 4.457 0 1 FIAF COCCn1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587513900 VGDXWUNXQDTLNX-OAQYLSRUSA-N 353.462 4.337 0 1 FIAF Cc1ccc2[nH]nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587593339 ISWHVYHHVNBUIZ-GCJKJVERSA-N 372.380 4.280 0 1 FIAF Cc1cc(Cl)cc2c(C(=O)c3cnn(C)c3C)c(C(F)(F)F)[nH]c12 587624949 WVTDYJMGNDFNFB-UHFFFAOYSA-N 355.747 4.421 0 1 FIAF Cc1c(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)cnn1C 587629132 VSIRKSVENGICBQ-UHFFFAOYSA-N 359.710 4.252 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2F)N1 587727254 NDBVNWVRRVQKTG-VPTHRUTESA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COCc2ccccc2)N1 587800712 HOUWRNSHHQOWKT-KZULUSFZSA-N 364.258 4.380 0 1 FIAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587807719 LVWCNXACJNPRGA-ZMZPIMSZSA-N 364.258 4.395 0 1 FIAF O=C(c1ccccc1)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 587969353 NKEJHRNJZIMARB-IVEWXYIWSA-N 370.452 4.441 0 1 FIAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccc(Cl)c1Cl 621475061 IRTPXZBDBOSYIA-UROBUVALSA-N 353.209 4.086 0 1 FIAF CC1=CC[C@H]([C@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)CC1 962698959 DGBOUPKZNBKBGP-PBQZTSCYSA-N 371.374 4.405 0 1 FIAF COc1cccc2cc3c(nc12)[C@H](c1cc(C)ccc1OC(F)F)NCC3 963051389 FGFYQDVFZYHNAW-FQEVSTJZSA-N 370.399 4.388 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c(N)oc2ccc(F)cc2c1=O 963244345 WDAWNLLWLFXZQF-ZUOKHONESA-N 366.436 4.260 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c(F)cc(Cl)cc1F 963607163 JGYYFVLXEXUDAN-NIVTXAMTSA-N 353.796 4.259 0 1 FIAF N[C@H]1CN[C@H](CCCCCCCCCCCOCC2CCCCC2)[C@H]1O 2382219955 SHEPYXNGVMKLQD-BDTNDASRSA-N 368.606 4.144 0 1 FIAF CCCC[C@H](CN[C@@H](CNC)[C@H](C)CC)NCCC12CCC(CC1)C2 22938897 HXWVJOJFQXWXFE-CAQIQVKASA-N 351.623 4.329 0 3 FIAF COC(=O)c1cccc(C)c1[C@@H]1CN=N[C@@]12Cc1c(ccc(C)c1C)C2=O 5539642 GXSBZKKCZNVIIN-AVRDEDQJSA-N 362.429 4.126 0 1 FIAF C(=C/c1ccccc1)\CN1CCN(c2nc3ccsc3n3cccc23)CC1 13755944 DXTRNUSQQPMWSC-XBXARRHUSA-N 374.513 4.384 0 1 FIAF COc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1 14977004 KDDVVMGPAUERNP-INIZCTEOSA-N 356.418 4.048 0 1 FIAF CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 17146528 VPGRYOFKCNULNK-NKDBSHAFSA-N 372.505 4.267 0 1 FIAF O=c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)nn1CCO 29209096 KMKGLRBPIDMTJP-UHFFFAOYSA-N 368.436 4.237 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C/C(=C\CCCC(=O)O)C[C@H]2C[C@H]1O 39316445 XZFRIPGNUQRGPI-CCZWLNQJSA-N 350.499 4.072 0 1 FIAF in-vitro CN(C(=O)Cn1c(=O)oc2ccc(Oc3ccccc3)cc21)c1ccccc1 59824286 VHLAFFNVOXGYEO-UHFFFAOYSA-N 374.396 4.050 0 1 FIAF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 64475032 SIIKMWIKTHGADB-QGZVFWFLSA-N 357.369 4.412 0 1 FIAF CCCCN(Cc1cc2cc(Cl)ccc2[nH]c1=O)C(=O)c1ccccn1 66123670 DLLSEILKKXIRLW-UHFFFAOYSA-N 369.852 4.019 0 1 FIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C 90649806 RWGSFMGQJFCHTC-OTGPNYDYSA-N 362.485 4.032 0 1 FIAF biogenic Cc1cccc(NC(=O)c2cc(Cl)cc(Oc3cnc(C)nc3)c2)n1 96939147 ZSYPUZAOOWEOLM-UHFFFAOYSA-N 354.797 4.186 0 1 FIAF Cc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2ccccc2)c1 145443779 BUZKLFMDPMVYPR-UHFFFAOYSA-N 360.461 4.326 0 1 FIAF NCC1(c2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2)CC1 150287132 PHFBGSUZYIGXPM-UHFFFAOYSA-N 362.454 4.106 0 1 FIAF COc1cc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2cn1 586881794 IMYSFMVDPXORGN-UHFFFAOYSA-N 357.413 4.481 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc3c(c2[nH]1)CCCC3 586962091 BIIVYQFPDMJZJK-HNNXBMFYSA-N 354.479 4.489 0 1 FIAF FC(F)(F)c1cc(CCc2nc3ncc[nH]c-3n2)cc(C(F)(F)F)c1 587112004 UICUAHGRXDAHQK-UHFFFAOYSA-N 360.261 4.127 0 1 FIAF COc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1OC 587116445 XJJFSZDZNAMLER-UHFFFAOYSA-N 374.322 4.209 0 1 FIAF CC[C@]1(C2CCNCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353447 ZHZVGOMYKMLTIN-IFMALSPDSA-N 369.436 4.039 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(OC(F)(F)F)c1)[C@@H](C2)C3=O 587424123 XMHKLIXSKQKKSJ-GTNSWQLSSA-N 368.282 4.222 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(O)c1)[C@@H](C2)C3=O 587449920 KGTIQCRBIBWINY-WMZHIEFXSA-N 358.393 4.092 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnccc1C(F)(F)F)CC2=O 587464778 YDBDQZGSUWQJFT-MRXNPFEDSA-N 351.324 4.465 0 1 FIAF CCOC(=O)c1[nH]c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587522078 CWNABLKRRUSAJZ-SFHVURJKSA-N 367.445 4.394 0 1 FIAF CCOC(=O)c1[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587525784 NVCBOYRSRFPAFE-SFHVURJKSA-N 353.418 4.085 0 1 FIAF COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599983 JUDVLXIXVZFQQK-DENIHFKCSA-N 362.381 4.278 0 1 FIAF CCn1ncc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C)c1C 587623352 QONFIAMEFVJEHP-UHFFFAOYSA-N 358.243 4.307 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(O)c2)N1 587716041 IPMKCOJQAPQROY-ZKANADHPSA-N 354.194 4.057 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2F)N1 587726731 ZHLZVKUISPMBHW-ZKANADHPSA-N 356.185 4.490 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1cccc(Cl)c1Cl)NCC2 962923497 HWNOEPPILCUFHG-LJQANCHMSA-N 363.288 4.104 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccnc(Br)c1N 963232132 CRUZGKKLJVVDPZ-SJCJKPOMSA-N 360.299 4.172 0 1 FIAF FCCOc1ccc2c(c1)CCN(CC[C@@H](F)Cc1ccccc1)CC2 1857565222 PJGARBUOELYXKL-OAQYLSRUSA-N 359.460 4.406 0 1 FIAF COc1cc(C2=NO[C@@H](c3c[nH]c4ccccc34)C2)cc(OC)c1OC 1857768495 YLUDPNJHUCWRDC-QGZVFWFLSA-N 352.390 4.059 0 1 FIAF Brc1ccc(-n2cc(COc3ccc4c(c3)CCC4)nn2)cc1 2382260250 SVCKELOKTUMNIY-UHFFFAOYSA-N 370.250 4.098 0 1 FIAF COc1ccc(-c2oc3c(Cl)cc(Cl)cc3c(=O)c2O)cc1OC 1662055 IPEMORFFRSZQMR-UHFFFAOYSA-N 367.184 4.490 0 1 FIAF CCOc1ccc2c(c1)c(CCNC(C)=O)c1n2CCCc2ccccc2-1 13494184 LSOOMCMGDGTXLB-UHFFFAOYSA-N 362.473 4.332 0 1 FIAF CCn1c(=O)n(CC)c2cc(-c3[nH]cnc3-c3ccc(F)cc3)ccc21 14958452 XGHYIUNGUIHVAN-UHFFFAOYSA-N 350.397 4.039 0 1 FIAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccc(SC)cc32)cc1OC 26670288 NUTKQVLYNINLFX-SFHVURJKSA-N 368.502 4.337 0 1 FIAF O=C1N(CCCCCCOc2ccc(Cl)cc2)CCN1c1ccncn1 29399349 AKKCVXLLGAGCDF-UHFFFAOYSA-N 374.872 4.011 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CN(C(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 40662146 YXKNWBJKYNIVOY-BIBIXIOVSA-N 361.526 4.029 0 1 FIAF CC(C)CN(C)c1cc(CCc2ccccc2)nc(N(C)CC(C)C)n1 40954385 IPPOHVJQMVGOOX-UHFFFAOYSA-N 354.542 4.446 0 1 FIAF O[C@@H](CNc1ccnc(Nc2cccc(Cl)c2)n1)c1cccc(F)c1 45167922 BHRGXRLXDCEFPJ-INIZCTEOSA-N 358.804 4.158 0 1 FIAF COc1cc(C(=O)c2oc3cccc(OC)c3c2C)cc(OC)c1OC 45367430 YEBDCEVZJTULBJ-UHFFFAOYSA-N 356.374 4.007 0 1 FIAF Nc1nc2ccc(C(=O)c3ccccc3)cc2n1CCc1ccc(F)cc1 84706429 IACZGYZPJSFNGL-UHFFFAOYSA-N 359.404 4.231 0 1 FIAF CC[C@@H](C)C(=O)c1c(O)cc(O)c2c1O[C@](C)(CCC=C(C)C)[C@@H](O)C2 95575466 OOUQAKUAWXZBEN-GQNMWPQZSA-N 362.466 4.128 0 1 FIAF CCSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(OC)c1 100705705 VNXSERPLWZEQHK-UHFFFAOYSA-N 351.431 4.352 0 1 FIAF Cc1ccc([C@H]2C[C@H]3CC[C@H]4[C@H]2[C@@](O)(c2ccc(Cl)cc2)CN43)cc1 100846461 JGWXNVMXDBFNMX-AANPDWTMSA-N 353.893 4.486 0 1 FIAF CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OCCNCCOC(=O)Nc1ccccc1)C2 143409728 LBEOWKDSFZCIPA-PLMTUMEDSA-N 360.498 4.056 0 1 FIAF C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC2(CCC(=O)CC2)OC1=O 146194695 KMFJCGODNBYCJG-LBPRGKRZSA-N 355.356 4.491 0 1 FIAF C[C@]12CC[C@H]3c4c(Br)cc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 238769849 RFIKGEXHGJJIHW-RIENRQNYSA-N 351.284 4.372 0 1 FIAF COC(=O)CCCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 299834475 JIKGRBMPZWCKAO-UHFFFAOYSA-N 371.824 4.165 0 1 FIAF Cc1cnc2[nH]c(CSc3nncn3-c3ccc(C)c(Cl)c3)nc2c1 586968103 MSRLHSDMRFGIIY-UHFFFAOYSA-N 370.869 4.101 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(O)nc1CC3 586988469 SBXDYKJYBRNPEJ-UHFFFAOYSA-N 366.376 4.018 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 587081725 ZHHLNCFQVUFAQG-CQSZACIVSA-N 363.200 4.333 0 1 FIAF Cc1noc([C@@H]2CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)n1 587106220 MAXVGLMIEGQCQT-MRXNPFEDSA-N 353.381 4.216 0 1 FIAF Cc1nc2[nH]c(-c3ncccc3C(F)(F)F)nc2cc1Br 587108367 KEZDNIXKUCBLNT-UHFFFAOYSA-N 357.133 4.110 0 1 FIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(F)cnc(Cl)c2[nH]1 587112352 GCPRQZBMJZCGRM-JTQLQIEISA-N 358.726 4.012 0 1 FIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(Cl)c4[nH]3)cc2N1 587125997 IQACSQGLARXCST-HQJQHLMTSA-N 355.751 4.387 0 1 FIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cncc(Cl)c2[nH]1)C(C)(C)C 587203617 FWWXPDUTEBWWTA-GFCCVEGCSA-N 352.866 4.093 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(Cc3ccccc3)C1(C)C)O2 587393024 FOYCUIMZDBMPCT-QHCPKHFHSA-N 364.489 4.356 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(Cl)cc1O)[C@@H](C2)C3=O 587418915 BYIJQZYDWGEZCA-BTDLBPIBSA-N 351.185 4.196 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(CSC(F)F)o1)[C@@H](C2)C3=O 587424668 RLIYVPAGXMUKCA-ZBEGNZNMSA-N 352.358 4.233 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1[C@H]1CCCN1C)CC2=O 587476505 PHLNNAFMIKYWAR-NJNPRVFISA-N 357.494 4.333 0 1 FIAF CCCOc1ccccc1[C@]1(CN)CC(=O)c2ccc3c(c2O1)CCCC3 587512509 YKMPJZPVVZPEJH-HSZRJFAPSA-N 365.473 4.174 0 1 FIAF O=C(OC1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1)c1ccccc1 587524487 NSYOGWLQIQMRSW-UHFFFAOYSA-N 362.425 4.289 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(cnn3C)c2)N1 587760751 QJSVNGRAZAWXLM-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF CCOc1ccnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587773888 RWVCXWJMCCBGEZ-BMLIUANNSA-N 365.246 4.006 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3n2)N1 587793136 JXAORPXMSNWKFD-BTDLBPIBSA-N 372.241 4.155 0 1 FIAF CCCC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587804263 DEKBSRLGBZILRO-PIGZYNQJSA-N 372.278 4.071 0 1 FIAF CO[C@@H]1[C@H](C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 587813328 UVXZKVKCMCIVAA-CCVPWINHSA-N 368.290 4.153 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1CC[C@@H]1CCCN1C 587863329 GJDVIALNKXFWEJ-ZDUSSCGKSA-N 353.388 4.062 0 1 FIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587953105 ZMYUCABPBIXCOU-DCGLDWPTSA-N 350.484 4.013 0 1 FIAF CC1=C(c2ccc3nc(/C=C(\C)C4CCCCC4)[nH]c3c2)NNC(=O)C1 587967456 KGERSIBQHRWUCI-JLHYYAGUSA-N 350.466 4.302 0 1 FIAF Cc1c(F)cccc1-c1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)o1 962910909 NLUNZSSZRUVFPM-PXNSSMCTSA-N 369.367 4.222 0 1 FIAF O=C(O)CSc1nc(Cl)cc(Nc2ccc(Cl)c3c2CCC3)n1 1857559925 MCBRWQUTXJYWCL-UHFFFAOYSA-N 370.261 4.192 0 1 FIAF CC[C@H]1CN(Cc2ccccc2)c2cc(-c3cnoc3)ccc2N1C(C)=O 1857643599 VITYUZTXONZPJY-FQEVSTJZSA-N 361.445 4.493 0 1 FIAF COc1ccc(-c2coc3c4c(cc(O)c3c2=O)C=CC(C)(C)O4)cc1 2356619966 ZWHAVMQXDVXGKU-UHFFFAOYSA-N 350.370 4.358 0 1 FIAF C[C@]12CC[C@H]3O[C@@H](Cc4ccccc4)OC[C@]3(C)[C@@H]1CC[C@H]1OC(=O)C[C@H]12 2356835665 KTVLKRWPABHONN-IZDSGKKBSA-N 370.489 4.119 0 1 FIAF O=C(Nc1ccc(F)cc1)Nc1c(-c2ccc(F)cc2)nc2ncccn12 203466153 UCUMNXUJQRIIHW-UHFFFAOYSA-N 365.343 4.319 0 3 FIAF COc1cccc2c1[C@@H](CN(C)CCc1ccc3c(c1)OCO3)CCC2 13761396 JQJYDTHCKSSCEW-GOSISDBHSA-N 353.462 4.018 0 1 FIAF COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1 13864636 GNSWLNYHLPXHMT-UHFFFAOYSA-N 350.349 4.270 0 1 FIAF COc1cc(O)ccc1[C@@H]1CC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O1 14762607 CYPWZIVELDBSRC-IBGZPJMESA-N 370.401 4.027 0 1 FIAF biogenic COc1ccccc1-c1nc2ccccc2c(=O)n1CCc1ccccc1 28340914 IHKNUWRYAXMVEM-UHFFFAOYSA-N 356.425 4.315 0 1 FIAF O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Cn1ccc2cnccc21 28572393 NXPYHUFWZBPNAY-UHFFFAOYSA-N 371.396 4.066 0 1 FIAF CCN(CC)CCC[C@@H](C)Nc1c2ccccc2nc2c1c(C)nn2C 32239422 AMXXUIJOSGAUEI-OAHLLOKOSA-N 353.514 4.352 0 1 FIAF COC(=O)[C@@]1(C)CCC[C@@]2(C(=O)O)[C@H]1CC[C@H]1[C@@H](C)c3ccoc3C[C@H]12 34172522 BUDZNKDGXHMPRO-MCNPMISNSA-N 360.450 4.016 0 1 FIAF CCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 45373368 LCKSZHZUOCEJKF-UHFFFAOYSA-N 363.505 4.442 0 1 FIAF CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 58569225 PFNUVBPVMKJIAZ-UHFFFAOYSA-N 350.462 4.149 0 1 FIAF Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12 63298257 XSDJOIOVIMPMHD-UHFFFAOYSA-N 366.428 4.119 0 1 FIAF COc1ccc(/C=C2\OC(=O)C=C2c2ccc(O)cc2)cc1Br 95577270 SBQQSAMGOOULLE-MFOYZWKCSA-N 373.202 4.145 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2Cc1ccccc1 100793310 AOTHPBKOMYVVMW-XRXFAXGQSA-N 353.437 4.135 0 1 FIAF COc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12 103242503 UBIZKWJHKSESMH-UHFFFAOYSA-N 361.191 4.143 0 1 FIAF c1cc(C2=NC3(CCCCC3)CO2)ccc1OCCCN1CCCCC1 118001829 KFBRHFYLJBVFGK-UHFFFAOYSA-N 356.510 4.421 0 1 FIAF CC1=CCC2=C(C)[C@@](O)(C(C)C)C[C@@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 238736991 FSOJCBVIWZXKTJ-ONTIZHBOSA-N 356.462 4.381 0 1 FIAF c1ccc(OC[C@H]2[C@H]3CN(Cc4nc5ccccc5n4C4CC4)C[C@@H]23)cc1 253666528 LQDSOGXLKLRTLO-ACDBMABISA-N 359.473 4.128 0 1 FIAF CCO[C@H](c1ccc(OCc2ccccc2C)cc1)C(F)(F)C(=O)O 473097840 DHQZFESCZXGHDF-QGZVFWFLSA-N 350.361 4.372 0 1 FIAF CC(C)Oc1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586913960 XSPFFKCRPPKWAB-UHFFFAOYSA-N 352.434 4.152 0 1 FIAF O=C(O)Cc1c(-c2ccccn2)nc2cccc3c2c1-c1ccccc1C3=O 587105782 IBHRJWNXXXCGBS-UHFFFAOYSA-N 366.376 4.135 0 1 FIAF Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Cl)ncnc3[nH]2)cc1F 587151020 OMEJKGPYCVUBIK-OAHLLOKOSA-N 372.762 4.453 0 1 FIAF CCc1ccccc1NC(=O)c1nc2c(C)cc(Br)cc2[nH]1 587240992 MVTZVVWZWOMDAI-UHFFFAOYSA-N 358.239 4.449 0 1 FIAF COc1cccc(-c2c(CCNC(C)=O)cnc3c2oc2ccccc23)c1 587363050 NIADADXRURISOF-UHFFFAOYSA-N 360.413 4.335 0 1 FIAF COc1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cn1 587410526 OMLCDPUKOBDEPW-MRXNPFEDSA-N 366.442 4.416 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3nn(C)cc13)CC2=O 587474303 DUIONPSNIUMYTQ-NRFANRHFSA-N 350.418 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC(C)=O)c1)CC2=O 587483738 RPUVIQAFZSGZFG-HXUWFJFHSA-N 354.402 4.019 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1sccc12 587618582 OTUSIFDYYWCTHM-PXNSSMCTSA-N 350.395 4.257 0 1 FIAF COC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 587632830 RRXUDLBGIRYZCM-UHFFFAOYSA-N 362.198 4.452 0 1 FIAF O=C(O)CCC(=O)Nc1c(-c2ccccc2Cl)[nH]c2cccc(F)c12 587633093 RKLXEJJYEXHIAF-UHFFFAOYSA-N 360.772 4.431 0 1 FIAF CC(C)c1nccnc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661905 SZOMLRKBRBWRND-UHFFFAOYSA-N 360.392 4.105 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2N)N1 587734732 VHWUZZMKHOOAEC-XLFHBGCDSA-N 367.237 4.107 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ncc2Cl)N1 587738875 RGYALQVPJKFFSF-KWKYVRJSSA-N 373.628 4.399 0 1 FIAF CC(C)Cn1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587763630 KQEHFAUJBYYSDL-GTNSWQLSSA-N 366.278 4.064 0 1 FIAF Cc1ccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc2c1 587775186 PMTVWQFAEPMMJJ-ZMZPIMSZSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nc[nH]c23)N1 587801258 FHOZUMDEJYAEEU-XYZCENFISA-N 360.230 4.088 0 1 FIAF CC[C@]1(CC(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815687 OTEJUBACAQGSQN-BMLIUANNSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccsc32)N1 587853670 AUASSJSWLDWLSF-XXFAHNHDSA-N 352.272 4.374 0 1 FIAF COc1ccc(-c2ccc(-c3nc4cc(C)cnc4[nH]3)c(O)c2)cc1OC 587927653 VSTXNMKTDYUXKN-UHFFFAOYSA-N 361.401 4.323 0 1 FIAF C[C@@H]1C[C@@]2(CN1Cc1ccccc1)c1c(F)cccc1C[C@@H]1CCCN12 963095271 COODGONOSTVRGA-DHJUGAMNSA-N 350.481 4.336 0 1 FIAF O=C(c1ccccc1)N1CCc2c1ccc1[nH]c(-c3ccccc3)cc(=O)c21 1772592588 MYQGTAUZAUHREY-UHFFFAOYSA-N 366.420 4.398 0 1 FIAF C[C@H]1CNC(c2ccc(-c3noc(-c4ccc(Cl)c(Cl)c4)n3)cc2)=N1 1857546534 LOFSVIDILZYOHD-JTQLQIEISA-N 373.243 4.449 0 1 FIAF COc1ccc(C(=O)c2cn(CC3CCOCC3)c3ccc(O)cc23)cc1 1857654818 UGFTVZGGGIPQOQ-UHFFFAOYSA-N 365.429 4.013 0 1 FIAF COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(C)cc4)ccc32)cc1 1857772889 XKJFCFXXZCBKPX-UHFFFAOYSA-N 357.409 4.400 0 1 FIAF CC(=O)O[C@@H]1C[C@]2(O)C(C)(C)CCC[C@]2(C)[C@@H]2Cc3occc3[C@H](C)[C@H]12 2356417636 HOCAOPOBPZNWHL-IRUWMEFTSA-N 360.494 4.455 0 1 FIAF CCCCC[C@H](O)C=C[C@@H]1[C@H]2CO[C@@H](C2)[C@@H]1CC=CCCCC(=O)O 2356719657 DJKDIKIDYDXHDD-IVDHNXQLSA-N 350.499 4.336 0 1 FIAF NC(=O)c1cccc(-c2coc3c(C(=O)NCc4ccccc4)cccc23)c1 61930270 ROOBYPZZXWTVFM-UHFFFAOYSA-N 370.408 4.129 0 3 FIAF C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NC(=O)c1ccc(Cl)cc1 205709018 BXCHXAHDCNQBMF-GCQDIAHQSA-N 374.912 4.030 0 3 FIAF COC(=O)c1[nH]c2ccccc2c1Sc1cc(OC)c(OC)c(OC)c1 13585516 NQHMWHKZHTUIMC-UHFFFAOYSA-N 373.430 4.132 0 1 FIAF COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3)cc1 13761777 ZRVOLZXRGXGYEH-UHFFFAOYSA-N 373.468 4.151 0 1 FIAF O=C1C[C@H](c2ccc(O)cc2)Oc2c(Cc3ccccc3)c(O)cc(O)c21 14971030 JCMOCGVRZVEPSS-HXUWFJFHSA-N 362.381 4.101 0 1 FIAF Fc1ccc(-c2c(-c3ccnc(Oc4ccccc4)n3)nn3c2OCC3)cc1 28386420 ZIFFDKDTHQKVOV-UHFFFAOYSA-N 374.375 4.331 0 1 FIAF O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccsc2)c1 28387121 KKPAMHAGPCJOBO-OAQYLSRUSA-N 362.498 4.419 0 1 FIAF CCCCCCS[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 29238591 AHNPIXHZHDWBKE-RDTXWAMCSA-N 369.481 4.146 0 1 FIAF O[C@@]1(Cc2ccccc2Cl)c2cc(Cl)c(Cl)cc2C2=NCCN21 34821408 CNMJEZRTSITUHZ-KRWDZBQOSA-N 367.663 4.110 0 1 FIAF CCCCO[P@@](=O)(NCCC)[C@@H](C)NC(=O)OCc1ccccc1 40876602 IOYMPWQDMZBKRA-IZHWHUGBSA-N 356.403 4.268 0 1 FIAF O=C(NC1CC1)c1cnc(N2CCC[C@H](c3ccccc3)C2)c(Cl)c1 45190337 PFMSPNDKHFMUCS-HNNXBMFYSA-N 355.869 4.011 0 1 FIAF N[C@H]1CCN(Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)C1 45210525 FNZXALCKTRJNGF-NRFANRHFSA-N 368.484 4.430 0 1 FIAF CNCCC[C@@H](c1ccccc1)c1ccc(OCCN2CCCC2)cc1 64448696 FJSAHHQJVCHRGE-QHCPKHFHSA-N 352.522 4.293 0 1 FIAF Cc1c(C(=O)O)oc2cccc(O[C@H](CCC(=O)O)c3ccccc3)c12 98082984 YYGKADLCRYVXGH-CQSZACIVSA-N 354.358 4.424 0 1 FIAF CCCn1c(=O)c2nc(C34C[C@@H]5CC3C[C@H](C5)C4)[nH]c2n(CCC)c1=S 100748796 OFLHGBYHEGLLNJ-PVXVLGKLSA-N 372.538 4.153 0 1 FIAF CC1=Nc2ncnn2[C@H](c2cccc(F)c2)/C1=C(\O)OC1CCCCC1 104115657 SNBNIFVUQJTXTC-GROYHEBESA-N 356.401 4.232 0 1 FIAF C[C@@H](c1ccc(Br)cc1)N1CCC2(CCC(O)CC2)OC1=O 146379315 RYGMPMRNJZJRCP-VWDMACCTSA-N 368.271 4.026 0 1 FIAF Fc1cnc2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 586976484 FYQGQAAZXLTMTL-UHFFFAOYSA-N 356.582 4.092 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3ccnc(Cl)c3Br)nc12 586979952 YZKHBYMTWSETLT-UHFFFAOYSA-N 358.026 4.398 0 1 FIAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 587012995 XMJMNCRSUPCIEB-GOSISDBHSA-N 363.446 4.309 0 1 FIAF Cc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1C 587014742 YANMVLVHFWJLEZ-UHFFFAOYSA-N 358.467 4.328 0 1 FIAF Cc1cnc2nc(-c3noc(C)c3COc3ccccc3Cl)[nH]c2c1 587063199 HTGXYLWUUMPVKL-UHFFFAOYSA-N 354.797 4.462 0 1 FIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1F 587149789 BEDKKMBTSAQEDS-YUMQZZPRSA-N 368.156 4.409 0 1 FIAF N=c1ncc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c[nH]1 587255134 ZEZRPGFAXDTKAM-UHFFFAOYSA-N 355.323 4.118 0 1 FIAF CCOC(OCC)c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587400822 PEWATBSJSGSYBC-IBGZPJMESA-N 355.434 4.355 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(C(=O)OC)c1)CC2=O 587462827 RBPWTCRVBDQWFG-GOSISDBHSA-N 374.820 4.491 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1c1cncnc1)CC2=O 587487394 FLARFHDIWZCHTH-UWJYYQICSA-N 352.434 4.197 0 1 FIAF C=C1C=C(C)n2c([C@@H]3CC(=O)c4ccc(O)c(CCC)c4O3)cnc2N1 587491528 UNNOKSMJAHFVEU-SFHVURJKSA-N 351.406 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(Cl)s1)CC2=O 587496454 XVYQVJSUJREFPH-QGZVFWFLSA-N 366.822 4.005 0 1 FIAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)nn1C 587508253 OISYHGJRADOSPY-OAHLLOKOSA-N 364.367 4.333 0 1 FIAF Cc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587607446 IOJAJMCRKRLZLK-KNQAVFIVSA-N 362.381 4.418 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Cl)N1 587708694 ZEKQTHGZVXHXDW-CLAHSXSESA-N 355.638 4.260 0 1 FIAF CNc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587745945 XTSVDRVZGYYUDL-ZMZPIMSZSA-N 363.274 4.428 0 1 FIAF COc1ccccc1CC(=O)c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 587928849 CPLHFFKSMSLSNW-UHFFFAOYSA-N 352.287 4.155 0 1 FIAF C[C@@]1(Cc2ccccn2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962633212 GFNTXVXPKLXMIR-UKILVPOCSA-N 369.512 4.286 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cccnc1-n1cnc(Cl)n1 963239033 ITLXRILATBSJLY-RDTXWAMCSA-N 367.884 4.062 0 1 FIAF COc1ccccc1N1CCN(CCCCOc2c(C)cccc2C)CC1 1772624754 NDEQCHIDQJKUDU-UHFFFAOYSA-N 368.521 4.293 0 1 FIAF CCCCCn1c(C)cc(=O)n2cc(-c3ccc(Br)cc3)nc12 1857578278 FYBJGOVVZPBZBC-UHFFFAOYSA-N 374.282 4.424 0 1 FIAF COc1cc(-c2ncccc2-c2nc3ccccc3[nH]2)cc(OC)c1OC 1857616219 XYOVMZCBQGWKBI-UHFFFAOYSA-N 361.401 4.318 0 1 FIAF CN(C)C(=O)Cn1cc(Cl)c2ncc(-c3cccc(C(F)F)c3)cc21 1857760576 CDXXGYBOTBOLGG-UHFFFAOYSA-N 363.795 4.383 0 1 FIAF COc1ccccc1-c1c(C)nn2c(N3CCCCCC3)cc(C)nc12 3063609 IXHRPSIJGXCIOH-UHFFFAOYSA-N 350.466 4.402 0 3 FIAF O=C1N(c2ccccc2)c2ccccc2[C@]1(CCCCO)Cc1ccncc1 3794268 FDPKQXSMFNIDQI-DEOSSOPVSA-N 372.468 4.403 0 1 FIAF CN(C)C[C@@H]1C[C@H]2c3cc(C(F)(F)F)ccc3Cc3ccccc3N2O1 13437241 WPLHYZJLPBROHU-LPHOPBHVSA-N 362.395 4.423 0 1 FIAF COCO[C@H]1C[C@@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@H]1N2C 13643512 VFUQRJKBLCJEIH-KJJMTIBFSA-N 367.489 4.017 0 1 FIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 13783778 MPXJSJVWSXWSNI-MKJASHJZSA-N 372.505 4.265 0 1 FIAF COc1cc([C@@H]2CC(=O)Oc3cc(C)c(Cl)cc32)cc(OC)c1OC 13813811 SJVGUWFQCHUCAI-LBPRGKRZSA-N 362.809 4.115 0 1 FIAF CN(C)CCNC(=O)c1cc(-c2ccc3ccccc3c2)nc2ccccc12 29487589 MZFXGUVDIYYCNB-UHFFFAOYSA-N 369.468 4.346 0 1 FIAF CCOc1cc(OC)c(C(=O)Nc2cccc3c2CCN[C@@H]3C)cc1Cl 40811205 PYPQVUDHJIZQQU-GFCCVEGCSA-N 374.868 4.206 0 1 FIAF C=C/C(C)=C\C[C@H]1[C@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C 85993547 COFSRJDBTTZNBZ-CGBRTZJHSA-N 364.526 4.015 0 1 FIAF in-man CCc1c(O)c(=O)ccn1CCCCNc1ccnc2cc(Cl)ccc12 96917815 ODFQUVVDUCHPIX-UHFFFAOYSA-N 371.868 4.210 0 1 FIAF CCCO[C@@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 103216677 LKDNZMZCRDBYPJ-GOSISDBHSA-N 350.447 4.056 0 1 FIAF CCCSc1c(C)on(C(=O)N(c2ccc(F)cc2F)C(C)C)c1=O 103288301 BMSRJCVUQFHVGB-UHFFFAOYSA-N 370.421 4.413 0 1 FIAF COc1ccc(-n2nc(-c3cccc4ccccc34)c3c(N)ncnc32)cc1 169702793 LWPPJHFDFCBNHR-UHFFFAOYSA-N 367.412 4.227 0 1 FIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4ccccc4)ncc23)ccn1 205437049 GDJUXJPRTHOKJJ-AWEZNQCLSA-N 372.432 4.211 0 1 FIAF CC(=O)OC[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1 238769740 ANGIGDFEXLRLRW-OZROYSPXSA-N 372.461 4.071 0 1 FIAF O=C1C[C@H](Sc2ccc(F)cc2Cl)N1C(=O)NCc1ccccc1 299856035 BOCMXRSULSGZTR-INIZCTEOSA-N 364.829 4.039 0 1 FIAF CN(C)CCOc1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587028581 WNZDTBGRJOZVIN-UHFFFAOYSA-N 364.474 4.294 0 1 FIAF COc1cc(/C=C/c2nc3ncc[nH]c-3n2)cc(Cl)c1OCC(C)C 587047426 WSVMVYUSAUEKSN-SNAWJCMRSA-N 358.829 4.172 0 1 FIAF Cc1cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2cc1F 587061311 VCRQQERLZXCDTQ-UHFFFAOYSA-N 353.788 4.200 0 1 FIAF Fc1cc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2cc1Cl 587085080 NLNQLBZODMJOAB-UHFFFAOYSA-N 366.227 4.183 0 1 FIAF C[C@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171916 CDXRBWFESJNWBO-MRXNPFEDSA-N 366.179 4.032 0 1 FIAF NC(=O)Nc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 587243688 OSQFJCHZCLQKQJ-UHFFFAOYSA-N 365.618 4.136 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](C)c1cccc(Br)c1)O2 587378933 WYJNLKZNBAKYSN-GTNSWQLSSA-N 360.251 4.477 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@@H](O)c1cccs1)O2 587411591 DPBQNXWYUWQWKV-RBUKOAKNSA-N 371.483 4.295 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)cn1)CC2=O 587464201 KZPVVBQABLJUHZ-INIZCTEOSA-N 351.324 4.465 0 1 FIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587531317 YITLTKIJQIBKPC-KKLQXSIXSA-N 366.457 4.180 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(F)c1O 587557856 PHOSFWDBQPQUSD-MGPUTAFESA-N 370.307 4.079 0 1 FIAF O=Cc1cc(F)sc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567866 FNBAVONVWMXSLW-YJBOKZPZSA-N 370.357 4.108 0 1 FIAF C[C@H](CC1CCOCC1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610276 PQULSYOYPAZNHO-WTGRHJARSA-N 368.429 4.175 0 1 FIAF Cc1csc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587610371 FPRMHYDWNDNIFE-BEFAXECRSA-N 353.399 4.034 0 1 FIAF CC[C@H](C)n1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587762065 WYGJPYBSQVULDJ-RLFDGXBXSA-N 366.278 4.379 0 1 FIAF COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)cc1O 587786087 HHJWHTUQNFNNOP-UHFFFAOYSA-N 374.396 4.382 0 1 FIAF O=C(c1cc(-c2ccc(F)cc2)[nH]n1)n1nc2cc1Oc1ccc(F)cc1-2 587874132 VDBSFRSBWHZWLZ-UHFFFAOYSA-N 364.311 4.013 0 1 FIAF Cc1ccc(-c2cc(O)n(-c3c(N)cccc3Br)c2O)cc1 587937432 RUVMEWFCRRLNDH-UHFFFAOYSA-N 359.223 4.209 0 1 FIAF CO[C@H](C)COC1CCC(c2nc3cc(C(F)(F)F)cnc3[nH]2)CC1 587952319 OSIAVKGWINMORO-XSRFYTQQSA-N 357.376 4.054 0 1 FIAF Cc1ccc(CC[C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962762399 IYHHUWVUDGSQSD-QUCCMNQESA-N 361.407 4.489 0 1 FIAF COc1cccc([C@]2(CNC(C)C)c3ccc(F)cc3C[C@H]3CCCN32)c1 963097543 FTRVVCCJTDKWFS-NFBKMPQASA-N 368.496 4.096 0 1 FIAF CCCCCC=CC[C@H](O)C=CC=CC=C[C@H](O)CCCC(=O)OC 2356313397 XTTJWWYYCJFEAQ-PMACEKPBSA-N 350.499 4.247 0 1 FIAF CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)C[C@H]1C[C@@H](C)C(=O)O1 2356404645 SVOIVAHAKDYEOL-KGLIPLIRSA-N 368.385 4.206 0 1 FIAF CCC=CCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 2356547080 XZIRYBKRPWWONW-XIYVOTBMSA-N 362.510 4.079 0 1 FIAF Clc1nc2ccccc2cc1Cn1cc(COc2ccccc2)nn1 2382243489 VHOFVKFDVFNJHG-UHFFFAOYSA-N 350.809 4.107 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4049912 SIUQFDTXXHWXML-MJGOQNOKSA-N 374.843 4.487 0 1 FIAF CCN(CC)CCCCNc1ncc(C)c2c1c1cc(O)ccc1n2C 5139264 WOPGOBSYVSAXDE-UHFFFAOYSA-N 354.498 4.274 0 1 FIAF CCCCOC1=C(C(=O)O)[C@H](c2ccc3c(c2)OCO3)Oc2ccccc21 13473340 BTOPOJCWQODETP-IBGZPJMESA-N 368.385 4.161 0 1 FIAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccsc2)O[C@@H]1c1cccnc1 13740456 MNZKTVZKROTVFA-BDTAUHQASA-N 359.447 4.357 0 1 FIAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1O 26507508 PKNCMHIFSWTLHO-MSOLQXFVSA-N 368.477 4.252 0 1 FIAF C[C@H]1OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1C 28523174 SQWQGCCFUAYKKJ-JZKQVHKSSA-N 354.425 4.271 0 1 FIAF Cc1ccc(-c2nn3c(=O)c4ccccc4nc3n2Cc2ccccc2)cc1 28713693 ZSYNPALAAFLLHN-UHFFFAOYSA-N 366.424 4.068 0 1 FIAF O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1oc3ccc(O)cc3c21 36161261 KGAPFKLOTLAAMY-UHFFFAOYSA-N 363.756 4.496 0 1 FIAF c1ccc(OCC2[C@H]3CN(Cc4nc5ccccc5n4C4CC4)C[C@@H]23)cc1 40402869 LQDSOGXLKLRTLO-YOFSQIOKSA-N 359.473 4.128 0 1 FIAF COC(=O)c1ccc(N2N=NN[C@@H]2SC23CC4CC(CC(C4)C2)C3)cc1 45370689 QFBWAJPUKGRBKP-VLZNNYHMSA-N 372.494 4.151 0 1 FIAF FC(F)(F)c1cccc(Sc2ccc3c(c2)N2CCNC[C@H]2C3)c1 71294595 XYEDCHJYYOEJSU-CQSZACIVSA-N 350.409 4.191 0 1 FIAF CCCCc1cnc(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 84668462 UHWUDLJKXAWXJS-UHFFFAOYSA-N 364.445 4.132 0 1 FIAF Cc1cc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)ncc1F 96939142 HVAOLBZNERELAE-UHFFFAOYSA-N 358.760 4.017 0 1 FIAF C[C@H](CN1CC[C@]2(C)C[C@@H]1Cc1c(O)cccc12)OCc1ccccc1 100899492 OQHMIQWXKSUMDL-HFJQGTKSSA-N 351.490 4.276 0 1 FIAF O=S(=O)(c1cccc(Cl)c1)c1ccc2oc3c(c2c1)[C@H]1CC[C@@H](C3)N1 143633814 BZFDFTRAANAQFW-BLLLJJGKSA-N 373.861 4.268 0 1 FIAF O=C1CCc2ccc(OCCCN3CCCC3)cc2N1Cc1ccccc1 169308753 VTLUSCYTYDSNFN-UHFFFAOYSA-N 364.489 4.031 0 1 FIAF O=C(CCCN1CC[C@@H]2Nc3ccc(F)cc3[C@H]2C1)c1ccc(F)cc1 169331880 NPZPHLSFFIMEMK-QUCCMNQESA-N 356.416 4.211 0 1 FIAF C[C@@H]1CCCN([C@@H](CCN2CCOCC2)c2ccc(Cl)c(Cl)c2)C1 299825552 YVOMATWVFCSQME-BEFAXECRSA-N 371.352 4.489 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc12 586887835 JBEQLKZIXLXZDC-GTNSWQLSSA-N 358.214 4.231 0 1 FIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c(Br)cnc(Cl)c3[nH]1)C2 586888109 WHMFVAHAYGUVLT-XHNCKOQMSA-N 366.646 4.013 0 1 FIAF Oc1ccc(-c2ccccc2-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 586899443 XBYWAZYFLLBBTN-UHFFFAOYSA-N 356.307 4.363 0 1 FIAF CC(=O)[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587382425 PQPCJEJGNVFLHI-SFHVURJKSA-N 363.335 4.046 0 1 FIAF COc1cc2c3c(c1)O[C@](c1cccc(OC(C)C)c1)(C(F)F)[C@@H](C2)C3=O 587423163 RSIRHTZPXSTFCG-KKSFZXQISA-N 374.383 4.390 0 1 FIAF CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587447203 NPXIOOSPHYFTEO-AMHLENCXSA-N 370.445 4.039 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(C(C)C)cccc41)[C@@H](C2)C3=O 587450688 FSCOCMUIFQYJBE-HTAPYJJXSA-N 350.414 4.244 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3ccccc3)c1)CC2=O 587474133 BSWLZFAGTLKVRN-QFIPXVFZSA-N 362.429 4.411 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)cc1C)CC2=O 587478155 IBRCPTPETLWLHS-LJQANCHMSA-N 354.402 4.146 0 1 FIAF C[C@@]1(c2cn(Cc3ccccc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 587517544 PLPGGGPYPYVNGD-QHCPKHFHSA-N 373.456 4.086 0 1 FIAF CC/C(C)=C(\N)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577211 JSDKGXZNYXQQEF-LAGJGFBMSA-N 353.418 4.145 0 1 FIAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1 587582001 YHAAVVDLQICNMS-UGKGYDQZSA-N 361.397 4.160 0 1 FIAF CCO[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601103 QYNSIMURLDMTIZ-LQWHRVPQSA-N 354.402 4.072 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1cccs1 587658867 VSOOPRLWUCAVAY-UHFFFAOYSA-N 354.381 4.452 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N)ccc2F)N1 587719064 OTIKSZMCBKMUSL-VVVCHXIZSA-N 367.237 4.107 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2coc(C3CC3)n2)N1 587773392 IFPGRWOKRLCWAT-VVVCHXIZSA-N 365.246 4.251 0 1 FIAF Cc1c(O)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821847 KCTHXTOGMXAQQQ-XLFHBGCDSA-N 350.231 4.226 0 1 FIAF FC(F)(F)c1cnc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 587949991 HWFXCAOFNZMFKO-UHFFFAOYSA-N 351.372 4.462 0 1 FIAF COc1ccccc1-c1nc(/C=C/c2cc3ccccc3nc2OC)no1 653799559 DFRBNYMDGAWKRC-VAWYXSNFSA-N 359.385 4.472 0 1 FIAF Cc1c(F)ccc2c1[C@H](c1cccn1Cc1cnc(Cl)s1)NCC2 962144378 KHBFTYVCKMSMPE-KRWDZBQOSA-N 361.873 4.329 0 1 FIAF COc1cc(C[C@]2(C)c3ccsc3CCN2Cc2ccco2)ccn1 962709654 RYGLTCVTKNPCAM-HXUWFJFHSA-N 354.475 4.261 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(C1CCC(C(F)(F)F)CC1)NCC2 962924562 KTCSNPWBZLHQLF-RJYAGPCLSA-N 368.443 4.118 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(F)c(Br)c2)N1 962947492 NPBDKHPZEODFQS-MEDUHNTESA-N 374.257 4.478 0 1 FIAF O=c1c(Cc2ccccc2)c[nH]c2c(-c3cccc(C(F)(F)F)c3)cnn12 1772605612 REEOLZNLMMAKPQ-UHFFFAOYSA-N 369.346 4.299 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(O)C(C)=O)C1 2356421397 IQCNQJXIOWBNAT-SQXBVBPSSA-N 374.521 4.201 0 1 FIAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)C(=O)[C@H](C)[C@H]2C(C)(C)CCC[C@@]23C)CO1 2356740927 UPPVCQPPDGQFKZ-SDQYAZSJSA-N 364.526 4.355 0 1 FIAF COc1cc(-c2nccc3[nH]nc(-c4ccccc4)c23)cc(OC)c1OC 74388831 CKYDVAVXJDPQLK-UHFFFAOYSA-N 361.401 4.318 0 3 FIAF Oc1nnc(CCCCN2CC=C(c3ccccc3)CC2)c2ccccc12 9692000 LIUHMYXLEFZHEQ-UHFFFAOYSA-N 359.473 4.447 0 1 FIAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 13579479 ZYDXWQOVGUVLFQ-PZJWPPBQSA-N 370.924 4.424 0 1 FIAF CCCN(CCC)[C@@H]1CCn2c(ccc2C(=O)C(Cl)(Cl)Cl)C1 13642151 DXJBLNLSLUGVEL-GFCCVEGCSA-N 365.732 4.478 0 1 FIAF COc1ccc(CSc2nc(Cc3ccc(F)cc3)c(C)c(=O)[nH]2)cc1 13677587 VFZRTVRRTHUDPL-UHFFFAOYSA-N 370.449 4.109 0 1 FIAF COc1ccc(Cn2cc(-c3ccc(OC)cc3)c3[nH]c(=O)ccc32)cc1 29335460 HQGXOJNZSJYLCF-UHFFFAOYSA-N 360.413 4.062 0 1 FIAF COc1cc([C@H]2OC[C@@H](CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)O2)ccc1O 35966714 ZOGKSXQLOOQXFG-HQLMGZKYSA-N 364.482 4.292 0 1 FIAF in-man CC(C)[C@@H](C)Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12 36488614 BMVBXRJVLUMWNN-MRVPVSSYSA-N 369.778 4.318 0 1 FIAF CCOc1ccccc1-c1nc(Cn2nc(N)cc2-c2ccccc2)co1 72184960 XIPAGRHFKBQMLT-UHFFFAOYSA-N 360.417 4.234 0 1 FIAF CC(C)C[C@]1(C)OC(=O)c2c1ccn(CCc1ccc(Cl)cc1)c2=O 96909528 UBHVMSNKBYRHMI-FQEVSTJZSA-N 359.853 4.176 0 1 FIAF CCC[C@@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 101791730 ASRGIKPNODZIHT-WJXFIBLPSA-N 367.533 4.456 0 1 FIAF CCS(=O)(=O)N(CCOC(C)(C)C)c1sc2ccccc2c1C 115232646 UXMYDPWTHOGIBZ-UHFFFAOYSA-N 355.525 4.181 0 1 FIAF C[C@@H]1CCCN(c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)C1 116232302 ZRGDEEHQBXOIQU-CYBMUJFWSA-N 365.408 4.370 0 1 FIAF O=C1CS[C@H](c2cccc(Br)c2)N1CCc1ccccc1 169342637 DDGPLNJTXLQBLL-QGZVFWFLSA-N 362.292 4.266 0 1 FIAF O=C1c2cc3ccccc3cc2O[C@H]2c3[nH]c4ccc(O)cc4c3CCN12 220401228 SBQYBVFOJNEGRZ-QFIPXVFZSA-N 356.381 4.116 0 1 FIAF COC(=O)c1ccc(-c2c(C)nc3cc(OC)c(Cl)cc3c2O)cc1 299819943 CWQSWXWAJHTIOV-UHFFFAOYSA-N 357.793 4.364 0 1 FIAF COc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1C 586995281 IXHSPWOOVIAYEG-UHFFFAOYSA-N 360.255 4.297 0 1 FIAF N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Br)cc1 586996218 BMMDOYVVXRMXTA-MRXNPFEDSA-N 370.294 4.447 0 1 FIAF Fc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1Br 587126237 VZBOEJALLBGVOF-UHFFFAOYSA-N 372.144 4.170 0 1 FIAF Cc1ccc(-c2ccc(-c3nc4cnnc(O)c4[nH]3)c(Cl)c2)cc1F 587146061 XQQHLLNUILBHJL-UHFFFAOYSA-N 354.772 4.493 0 1 FIAF CCOC(OCC)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587400823 PEWATBSJSGSYBC-LJQANCHMSA-N 355.434 4.355 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(COC)ccc1OC)CC2=O 587479187 LPDZIDHUHUELAR-HXUWFJFHSA-N 356.418 4.206 0 1 FIAF Cc1nc2sccn2c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587538990 TVZBHMCBHUACKF-FQEVSTJZSA-N 352.459 4.464 0 1 FIAF CC(C)[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589472 WXJGSAJCZDBRII-KNQAVFIVSA-N 361.397 4.300 0 1 FIAF Cc1c[nH]c2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589720 QHAMQONJCNCNPU-UGKGYDQZSA-N 361.397 4.222 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCNc1ccccc12 587591105 BENPDBYBQZKOEK-NFBKMPQASA-N 373.408 4.455 0 1 FIAF CCN(/C=C(\F)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)CC 587708100 XVULHYRRAHWQBA-UGQXABGCSA-N 359.258 4.316 0 1 FIAF CNc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587740002 BZYXIHQZAPYSMQ-ADLMAVQZSA-N 363.274 4.428 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3ccccc32)N1 587841227 MCXJOFZSHYHNHE-BBATYDOGSA-N 360.226 4.272 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(Cl)cc1F 587868414 MXJPBDRGJQBOCM-UHFFFAOYSA-N 372.709 4.149 0 1 FIAF COc1ccccc1NC(=O)Cc1nc(-c2cc(F)ccc2F)cs1 587921607 KFHZBVJIMCOYLH-UHFFFAOYSA-N 360.385 4.278 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)c(C)nc2[nH]1 587930319 OBQZUBLLPAHYPC-KPZWWZAWSA-N 372.266 4.483 0 1 FIAF CC(C)[C@]1(C)CC[C@]2(C1)N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962694315 GVWQMVBWUGPXKE-KBAYOESNSA-N 373.390 4.485 0 1 FIAF COc1cc(C[C@@]2(C)c3ccsc3CCN2Cc2ccco2)ccn1 962709652 RYGLTCVTKNPCAM-FQEVSTJZSA-N 354.475 4.261 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2OCCC(=O)O)N1 962940919 BANJVFWVJFCOIT-LHSJRXKWSA-N 364.445 4.035 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1[nH]c(C)c(C(=O)OC)c1C 963244672 XKNAJNPSGQMMJF-FPTDNZKUSA-N 354.494 4.338 0 1 FIAF Cc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CCCC2)cc1 3038476 SDSOMZDHRWCFFP-RKOYOZNISA-N 368.521 4.228 0 3 FIAF Cc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3ccco3)n2)cc1 4214837 KTJNUFKBFSSJSB-UHFFFAOYSA-N 369.490 4.310 0 3 FIAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)N[C@@H](C)C(C)C)cc1 774376 AFBKSVSEDWWAFR-ZDUSSCGKSA-N 354.406 4.385 0 1 FIAF Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)c1ccc(Cl)s1 12457835 JWTKTRGAGNQBKY-NSHDSACASA-N 358.854 4.053 0 1 FIAF Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccco2)C1 12603403 SQIPFLALYXZXNY-SJLPKXTDSA-N 351.425 4.423 0 1 FIAF biogenic CN1[C@H]2CC[C@@H]1[C@@H](COc1ccc3c(c1)OCO3)[C@H](c1ccc(F)cc1)C2 13776976 CUWDCKZGAWYXEX-FRYIKTPZSA-N 369.436 4.200 0 1 FIAF O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3ncccc3c2)n1 14960331 RUTGXLQTYXQADL-UHFFFAOYSA-N 357.373 4.210 0 1 FIAF O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(c2cccnc2)O3)N1 26274043 YNCIOAYRAVKSRY-OAHLLOKOSA-N 367.714 4.061 0 1 FIAF CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@H]1N1CCCCC1 28125006 NOCRNQQODVOMER-OAQYLSRUSA-N 366.461 4.018 0 1 FIAF O=S(=O)(c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1)C(F)F 40505136 BCJXNNNYWHIYKN-UHFFFAOYSA-N 370.327 4.018 0 1 FIAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccccc1 72140907 ROECTXSVAJVSEX-BHIFYINESA-N 368.525 4.085 0 1 FIAF CCCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82132717 ZTGGRBWAWFDDOK-UHFFFAOYSA-N 360.461 4.286 0 1 FIAF CCCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1 82136212 OTCHCSZIFSRYAU-UHFFFAOYSA-N 356.445 4.167 0 1 FIAF COc1cc(OC)cc(/C(=C/CCN(C)C)c2ccc(OC)c(OC)c2)c1 84538219 OLJIMPAUXRCAHJ-DNTJNYDQSA-N 371.477 4.104 0 1 FIAF C[C@@H](C(=O)O)c1c(F)cc(C[C@H]2CCCC2=O)cc1-c1ccc(O)cc1 84725160 RLOAKDJOSNIQNV-IUODEOHRSA-N 356.393 4.298 0 1 FIAF CN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC=C(n4ccnc4)[C@@]3(C)CC[C@@H]12 144148930 IQYTUQBWHOPVAZ-QYSHBZRDSA-N 351.494 4.323 0 1 FIAF Cc1ccc(SCc2nc3ccc(OCCN(C)C)cc3[nH]2)c(C)c1 586964000 UONAGEWDWWEMAH-UHFFFAOYSA-N 355.507 4.412 0 1 FIAF COc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1C 587030104 XXXYQCICGUGWNL-UHFFFAOYSA-N 366.446 4.030 0 1 FIAF COC(=O)[C@@H]1CCCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587098356 QNGUMIUEUINZOP-CQSZACIVSA-N 371.436 4.423 0 1 FIAF Cc1cc(Br)c2[nH]c(-c3cc(F)c(F)c(N)c3F)nc2c1 587137233 VJVCPBADJPQVBL-UHFFFAOYSA-N 356.145 4.300 0 1 FIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587242762 ZDEYMAKJUNSQIA-UHFFFAOYSA-N 351.406 4.333 0 1 FIAF Cc1cc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2cc1F 587244358 GNVGJMKJZADWMX-UHFFFAOYSA-N 364.380 4.150 0 1 FIAF Nc1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc2ccccc12 587254615 RZUYZVHBCHZACH-UHFFFAOYSA-N 363.730 4.379 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)CCCN3C(C)C)O2 587400665 RBLAOIJMKNEBFF-NRFANRHFSA-N 350.462 4.445 0 1 FIAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)cc1OC 587423739 VRIHBFHWBCOUBS-XCLFUZPHSA-N 374.820 4.245 0 1 FIAF O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587566347 IFLNZUCKJMKRKG-UHFFFAOYSA-N 352.287 4.155 0 1 FIAF COc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650337 SGBJBHIMXURJSM-UHFFFAOYSA-N 369.364 4.266 0 1 FIAF COc1ccccc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657029 QKRHEBZUQPSWMO-UHFFFAOYSA-N 364.351 4.340 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2coc(C3CC3)n2)N1 587773113 IDABERNOFHCTAJ-HUTHGQBESA-N 365.246 4.251 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2)N1 587832991 LSMYWHFJTJSDGW-QGHHPUGFSA-N 350.231 4.092 0 1 FIAF CCc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587855987 XHDBKSWAGLDQJZ-GLEZIHRCSA-N 355.276 4.231 0 1 FIAF O=C(c1ccncc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 653737378 JUEFDUSBQBSLFK-KRWDZBQOSA-N 351.793 4.320 0 1 FIAF CCc1ccc([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962656249 ABOUXBOICAGKIQ-ZEQRLZLVSA-N 374.484 4.159 0 1 FIAF C[C@@H](O)C=CCC=CC[C@H](O)C=CC=CCC=CCC=CCCC(=O)O 2356389059 FRJZMMUVPROLHN-NHCUHLMSSA-N 360.494 4.491 0 1 FIAF CCCCCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@H]1CCCCCC(=O)O1 2356439538 USJVWURFAMIZKS-HGJUEJDCSA-N 364.526 4.303 0 1 FIAF CCC=CC[C@H](O)C=CC=CC=C[C@H](O)CC=CCC=CCCC(=O)O 2356464799 CRDZYJSQHCXHEG-LEWJYISDSA-N 360.494 4.491 0 1 FIAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N(C)Cc1ccccc1 2356717052 FXZJLCDQBGPNQX-CYBMUJFWSA-N 370.836 4.321 0 1 FIAF COC(=O)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 2356733309 OJSJNWQDEOTLSR-ZNDROJJISA-N 360.494 4.282 0 1 FIAF O=C(NCC12CC(CN1Cc1ccccc1)C2)c1ccc(-c2ccco2)cc1 2382219402 VOODYYCTHRUTQM-UHFFFAOYSA-N 372.468 4.341 0 1 FIAF CC(C)c1ccc(CN2CC[C@]2(C)C(=O)Nc2ccc3c(c2)OCO3)cc1 61930475 CODAKFAKSWKSNE-JOCHJYFZSA-N 366.461 4.142 0 3 FIAF CCCC[C@H]1O[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2N1C 199737584 OAMQJBTXWGETBA-KCJGJZAOSA-N 367.537 4.322 0 3 FIAF CCCN(CCC)C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651085 GBBZZILPRQEJTL-OAQYLSRUSA-N 351.490 4.410 0 1 FIAF CC(=O)O[C@@H]1OC(=O)c2ccc([C@]3(C)CCCC(C)(C)C3)c(C(C)=O)c21 14584406 OMNZZWDXPDXHHJ-TZIWHRDSSA-N 358.434 4.479 0 1 FIAF biogenic CN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCCC[C@@H]1N1CCCC1 26835898 KILKAFDVKRZHIX-VXKWHMMOSA-N 350.506 4.248 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cc2c[nH]c3cc(C)ccc23)c(C)c1 28820773 HIXBYVRFKUTGAN-QGZVFWFLSA-N 370.518 4.311 0 1 FIAF Cc1ccc(Cn2cc(/C=C3/[C@H](O)C4CCN3CC4)c3ccccc32)cc1 28826438 RYWSIHNNOAHWNO-JXCKLXDISA-N 358.485 4.425 0 1 FIAF COC(=O)[C@@]1(C)CCC[C@]2(C(=O)O)[C@@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@H]12 34172524 BUDZNKDGXHMPRO-OKGZDTJASA-N 360.450 4.016 0 1 FIAF Cc1cc(OCP(=O)(O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 40849037 NHIDWXMLJGPDMM-UHFFFAOYSA-N 366.350 4.439 0 1 FIAF O=C(CCN1CCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 40914513 RCYMTOPDUUMFRT-UHFFFAOYSA-N 359.539 4.035 0 1 FIAF COc1cc2c(cc1OC)C(=O)N1C=C(c3c(C)cccc3C)C[C@H]1C=N2 49808623 GZKATPHVJQGYIF-INIZCTEOSA-N 362.429 4.292 0 1 FIAF COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]ccc1Cc1ccc(OC)cc1 72106571 WCMIXBWYUWTUHC-BKUYFWCQSA-N 359.429 4.316 0 1 FIAF CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 82156939 NYMKJRDVNUGPPL-GDNBJRDFSA-N 350.187 4.214 0 1 FIAF COc1ccc2c(C)c(-c3cn4nc(SC)sc4n3)oc2c1OC 143847645 OPAUFFNFVKFSRL-UHFFFAOYSA-N 361.448 4.252 0 1 FIAF CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C 299812999 MDJRZSNPHZEMJH-FIONBPGRSA-N 374.521 4.059 0 1 FIAF O=C(O)c1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1F 587137856 ORDKCFMRSTXBOB-UHFFFAOYSA-N 371.112 4.108 0 1 FIAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccnc(Br)c3[nH]2)c1F 587152514 OVPGHZILIXAUNR-DTWKUNHWSA-N 350.166 4.270 0 1 FIAF CC(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587205344 PUZFREHQIOVPQS-MRXNPFEDSA-N 359.470 4.247 0 1 FIAF COC(=O)Nc1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 587244255 ZDHNHJBDYKXTJM-UHFFFAOYSA-N 364.174 4.310 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)ccc1Br)O2 587384494 FRAZLJWCRJFOIG-QGZVFWFLSA-N 364.214 4.359 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(C)(C)CC(=O)O)(c1ccccc1)O2 587409496 VWXSUKOOBXOJCP-JOCHJYFZSA-N 367.445 4.329 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)nc1C(F)(F)F)[C@@H](C2)C3=O 587424155 XSVJPSSFBDIASK-ZUZCIYMTSA-N 369.726 4.251 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(O)c1Cl)CC2=O 587462336 YIWJDQHBRRFVOH-INIZCTEOSA-N 362.809 4.419 0 1 FIAF CCOC(=O)[C@]1(CCC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587500911 QISOBSUSPJGWOO-SFHVURJKSA-N 370.367 4.175 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(O)c1F 587555710 HMRSHISMMAQAKM-UZLBHIALSA-N 370.307 4.079 0 1 FIAF C[C@]1(c2nc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585739 HICUIJMLXRKUSP-AVRDEDQJSA-N 373.364 4.410 0 1 FIAF COc1cc(C)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596934 XKZMOJJLRZBWCK-DENIHFKCSA-N 362.381 4.412 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)s1 587610791 HDWHKUOXCSVKPP-CJNGLKHVSA-N 359.790 4.205 0 1 FIAF Cc1c(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)cnn1C 587628460 LETPXIALUNNTFF-UHFFFAOYSA-N 359.710 4.252 0 1 FIAF CCOc1ccccc1OCc1nc2ccc(F)c(Br)c2[nH]1 587779926 JVFOFQIMVDAHBZ-UHFFFAOYSA-N 365.202 4.442 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3[nH]2)N1 587806113 URXHMHMCWMWYDA-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF CCOc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1OC 587873450 FRJQHQRIUNZMQB-UHFFFAOYSA-N 354.337 3.891 0 1 FIAF Brc1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2n1 587950640 NICFYNLLFGKHPE-UHFFFAOYSA-N 362.271 4.206 0 1 FIAF CCOc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCO2 653663434 NYAJIFUXDUYLRS-UHFFFAOYSA-N 354.402 4.075 0 1 FIAF Cc1cccc2cc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)[nH]c12 962730784 PDEKZIBXTLABEZ-SJLPKXTDSA-N 358.363 4.211 0 1 FIAF COc1ccc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(Cl)c1 962731900 UUQCCTGRTNLTCV-JKSUJKDBSA-N 369.770 4.084 0 1 FIAF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc(F)c(F)c1F)NCC3 963060515 TWDAFGZWIBKNEN-HXUWFJFHSA-N 358.363 4.070 0 1 FIAF CCc1nc(N)cc(C)c1-c1cc(F)c(F)c2c(C)c(CCOC)[nH]c12 1772630596 GXZBQPSMKPPKDH-UHFFFAOYSA-N 359.420 4.458 0 1 FIAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@]2(C)CC(=CCCCC(=O)O)C[C@H]12 2356401956 VKPYUUBEDXIQIB-UDGWLPKNSA-N 364.526 4.462 0 1 FIAF CC(C)C(=O)N(C)c1ncc(SCc2ncc(C(C)(C)C)o2)s1 13490948 VKJMFTOJFZLVOW-UHFFFAOYSA-N 353.513 4.340 0 1 FIAF COc1ccccc1N1CCN(CCCCc2c[nH]c3ccccc23)CC1 13741504 LPGUYDKCWIULOY-UHFFFAOYSA-N 363.505 4.321 0 1 FIAF CC(=O)O[C@H]1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 26579499 VZHJNLMLCLYEGB-QFIPXVFZSA-N 351.446 4.184 0 1 FIAF CC(C)(C)NC[C@@H](O)c1cc2cccc(CC(=O)OC3CCCCC3)c2o1 29324219 OCDPKMNKWWOJGJ-GOSISDBHSA-N 373.493 4.273 0 1 FIAF O=C(NCc1c[nH]c2ccccc12)N1[C@H]2CC[C@H](C2)[C@H]1Cc1ccccc1 36323822 UENKSTZFYXQHBC-ZWCUEREDSA-N 359.473 4.473 0 1 FIAF C[C@H](Oc1cc(-n2cccn2)cnc1N)c1c(Cl)ccc(F)c1Cl 38267390 MKDWOPYFYVHZCU-VIFPVBQESA-N 367.211 4.435 0 1 FIAF CNc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccccc2C)s1 40409241 CNOZEZOCALUISD-UHFFFAOYSA-N 362.458 4.168 0 1 FIAF CC[C@@H](C)c1ccc(-n2c(=O)oc3ccc(Br)cc3c2=O)cc1 64573444 TWDYBJSPDJYGGZ-LLVKDONJSA-N 374.234 4.220 0 1 FIAF CNc1nc2cc(-c3cccc(CC(C)=O)c3)sc2n2c(C)cnc12 72119007 OSOBQJBIJAHMTO-UHFFFAOYSA-N 350.447 4.093 0 1 FIAF CN(C)c1ccc(-c2nnc3ccc(-c4c[nH]c5ccccc45)nn23)cc1 82060510 BXTMJXWEOVQDFH-UHFFFAOYSA-N 354.417 4.006 0 1 FIAF COc1ccc([C@@H](O)c2nnc(Nc3cccc(C(C)C)c3)s2)cc1 82083360 NLBLCEXPTBMEAA-QGZVFWFLSA-N 355.463 4.495 0 1 FIAF Nc1scc(-c2ccc3c(c2)OCO3)c1C(=O)OCc1ccccc1 96929350 RVJRTLZWCGBQQB-UHFFFAOYSA-N 353.399 4.083 0 1 FIAF COc1cc(OCCC2CCCCC2)ccc1/C=C1\SC(=O)NC1=O 115791772 BQKQSCOCIRWVBP-BOPFTXTBSA-N 361.463 4.368 0 1 FIAF O=C1[C@@H]2CCCC[C@@H]2[C@@H](O)N1c1cc(OC2CCCC2)c(Cl)cc1F 169305721 WVRMSBDYZOMFDZ-VEVIJQCQSA-N 367.848 4.272 0 1 FIAF Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(=O)O)cn2)c1 169349551 BZEUQTZFFNFICD-UHFFFAOYSA-N 362.429 4.357 0 1 FIAF CCOC(=O)/C=C1/CC[C@H]2[C@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169359463 SLLCGKGKUIUVBU-CFEVSWKWSA-N 371.521 4.465 0 1 FIAF O=C(N[C@H]1CCOc2ncccc21)C1(c2ccc(F)cc2Cl)CCCC1 206043489 OWOMBSIPNSTXAD-KRWDZBQOSA-N 374.843 4.326 0 1 FIAF C=C/C(C)=C\C[C@H]1[C@]2(C)CCCC(C)(C)[C@@H]2[C@H](OC(C)=O)[C@@H](O)[C@]1(C)O 238773448 COFSRJDBTTZNBZ-OSYXAXSJSA-N 364.526 4.015 0 1 FIAF CC(=O)CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@H]2C1 299849132 RSJLDQKWMAAKHL-FRSAJZIXSA-N 373.500 4.024 0 1 FIAF CC1CCN(c2nc3c(c(Nc4cc(-c5ccccc5)[nH]n4)n2)CCC3)CC1 299862008 JAALTWRMIPBENX-UHFFFAOYSA-N 374.492 4.335 0 1 FIAF CC(C)[C@](C)(O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586888539 KOMWNSUKPKUVEX-LBPRGKRZSA-N 351.166 4.208 0 1 FIAF CCS(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587110240 XEFBQDCSQNKTLL-UHFFFAOYSA-N 372.343 4.181 0 1 FIAF COc1ccc(-c2nc3ccc(C)cc3[nH]2)c(I)c1 587180747 YWCQKKFTGUCBHU-UHFFFAOYSA-N 364.186 4.152 0 1 FIAF CC(C)(C)c1cccc2nc(CCNC(=O)OCc3ccccc3)[nH]c12 587228141 JKYNRQVFXRRZNL-UHFFFAOYSA-N 351.450 4.329 0 1 FIAF CCOC(=O)C[C@@]1(CC2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1 587399418 JUISJEKKCRGHSB-OAQYLSRUSA-N 359.466 4.205 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccsc1N)[C@@H](C2)C3=O 587453866 UZHOJAKHMWSNSO-KKSFZXQISA-N 363.438 4.030 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1oc4ccc(OC)cc4c1C)[C@@H](C2)C3=O 587456364 UOGNNXNILBHYSC-KSFYIVLOSA-N 364.397 4.421 0 1 FIAF COc1ccc(COC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521451 CXZSMNCJWLLTSU-GOSISDBHSA-N 352.430 4.125 0 1 FIAF O=C1C[C@](C(=O)c2ccco2)(c2ccco2)Oc2c1ccc1c2CCCC1 587533274 PEFZARIDRUXAQI-JOCHJYFZSA-N 362.381 4.495 0 1 FIAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 587552489 RVEVGTAVQHQJOF-LPHOPBHVSA-N 367.788 4.452 0 1 FIAF CN(C)/C=C\[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573907 VFJDKFHNCWLQTC-ZTSUNMSDSA-N 367.445 4.214 0 1 FIAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1N 587581573 WIGZTQOLHWETGP-KNQAVFIVSA-N 361.397 4.160 0 1 FIAF O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(F)ccc12)C(F)(F)F 587633565 GPCUYOQVLMVBCU-UHFFFAOYSA-N 351.255 4.448 0 1 FIAF CC[C@H](C)n1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587758339 INAVIOOHTLHXJR-RLFDGXBXSA-N 366.278 4.379 0 1 FIAF Cc1ccc2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2c1 587776949 ZHSRPVWDPQJYHC-ADLMAVQZSA-N 374.257 4.168 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(O)CCCCC2)N1 587822537 PCEZYBLAQCIXCE-BZNIZROVSA-N 356.279 4.033 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(F)cc1F 587870530 BMRBNKKXJUNVTH-UHFFFAOYSA-N 360.335 4.249 0 1 FIAF COc1ccccc1-c1ccnc(-n2nc3cc2Oc2ccc(F)cc2-3)n1 587875010 LQBFHFLMEZHLOM-UHFFFAOYSA-N 360.348 4.250 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)CC2 587936105 AMCWNLHYWSVEMU-CQSZACIVSA-N 362.408 4.169 0 1 FIAF COc1ccc2c(c1OC)[C@@](CCC(C)=O)(C1CCCC1)N(C)[C@H](C)C2 962618793 DVXRIUNCIWSKPP-IVZQSRNASA-N 359.510 4.335 0 1 FIAF Clc1cc(Cl)c2c(c1)[C@@H](c1nc(Br)cs1)NCC2 963103865 GXNBFDCONAKGHQ-NSHDSACASA-N 364.095 4.448 0 1 FIAF C[C@H](OCc1ccccc1)[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 1772632002 UZHILJDZNOKUEH-JTSKRJEESA-N 370.452 4.450 0 1 FIAF Cc1nc2sccn2c1C(=O)NCc1ccccc1Oc1ccccc1 1857613900 MXIKBVCVPRXEJX-UHFFFAOYSA-N 363.442 4.427 0 1 FIAF COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC(C)=O)c1Cl 602744 VEBNRHIWRXTEIL-UHFFFAOYSA-N 353.416 4.149 0 1 FIAF CCN(CC)CCCN1CCc2c([nH]c3ccccc23)[C@H]1c1cccnc1 1622989 IGEVBTTXDGYSKM-HSZRJFAPSA-N 362.521 4.242 0 1 FIAF O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cccs2)cc1 3919910 JJEJCAOIJWQBMJ-HXUWFJFHSA-N 362.498 4.419 0 1 FIAF OC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1cc(Cl)cc(Cl)c1 7992158 ULBNKSMBQPHNIA-BZSNNMDCSA-N 351.229 4.429 0 1 FIAF Cc1ccc2c(c1)c(/C=C1/[C@@H](O)C3CCN1CC3)cn2Cc1ccccc1 28826443 WZRLJASBWSMOEJ-BJYRUZDYSA-N 358.485 4.425 0 1 FIAF O=C(O)c1ccccc1CSc1c(O)cc(-c2ccccc2)oc1=O 32016347 MXCYPPNQAULBAA-UHFFFAOYSA-N 354.383 4.003 0 1 FIAF CC1(C)C=Cc2c(ccc3c2OC[C@H](c2cc4c(cc2O)OCO4)C3)O1 32287352 ADVVUFYZTDQZLS-CYBMUJFWSA-N 352.386 4.024 0 1 FIAF biogenic Cc1ccc(C)c(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c1 36161253 RUQWRBUEXCASTO-UHFFFAOYSA-N 356.381 4.194 0 1 FIAF Cc1cc(NC(=O)C(=O)O)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2 38459396 DOZADTKWJRWWHA-UHFFFAOYSA-N 369.417 4.128 0 1 FIAF CN1CCC=C([C@H]2SCC(=O)N2c2ccc(Nc3ccccc3)cc2)C1 45299917 MPQZILZHYZIGDB-OAQYLSRUSA-N 365.502 4.098 0 1 FIAF COc1cc(-c2ccc3ncc(-c4ccccc4)n3n2)cc(OC)c1OC 74386144 SAOLRCQTFAPLJC-UHFFFAOYSA-N 361.401 4.089 0 1 FIAF CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc(C)c1 82147581 LFRFOTRZRCWJAX-IRXDYDNUSA-N 366.509 4.026 0 1 FIAF O=C(NC1CCCCC1)[C@@H]1CCCN1c1nc(-c2ccccc2)cs1 82191988 JOPWEIHUCHOVFG-SFHVURJKSA-N 355.507 4.228 0 1 FIAF c1ccc2nc(CN3CCC4(CC3)OCCc3sccc34)ccc2c1 84732470 QJXPHXNSAVSMQT-UHFFFAOYSA-N 350.487 4.360 0 1 FIAF COc1ccc([C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]3N2Cc2ccccc2)cc1 96929578 CQLOYQHVHMMETF-FSSWDIPSSA-N 364.489 4.070 0 1 FIAF Cc1ccc(C(C)C)c(OCC(=O)c2c(O)oc3ccccc3c2=O)c1 101931480 FQOIJTPMUVAMOE-UHFFFAOYSA-N 352.386 4.192 0 1 FIAF CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccc(C)cn1 103275799 AEPYCDGCKJJMTI-UHFFFAOYSA-N 373.416 4.044 0 1 FIAF N[C@H](CO)Cc1c[nH]c2ccc(-c3ccc(Oc4ccccc4)cc3)cc12 146630861 WKTLLHTYWIYNNP-IBGZPJMESA-N 358.441 4.489 0 1 FIAF CCCCOc1cccc(C(F)(F)CNCC(=O)N(CCC)CCC)c1 148827316 OXOMBDGCDDHRAY-UHFFFAOYSA-N 370.484 4.196 0 1 FIAF Nc1nnc(-c2ccc3[nH]cc(-c4cccc(OC5CCC5)n4)c3c2)s1 204755902 VJAFLWYXUBIIJD-UHFFFAOYSA-N 363.446 4.262 0 1 FIAF CCn1cc(C(=O)N2CCC[C@@H](c3cc4ccccc4n3C(C)C)C2)cn1 473134040 BFJXCJBBYLHASN-GOSISDBHSA-N 364.493 4.458 0 1 FIAF OCCCCCCCCCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 586894458 GNUYRZFHBWJFKW-UHFFFAOYSA-N 358.408 4.369 0 1 FIAF O=Cc1ccc(OCc2occc2-c2nc3cc(F)cc(F)c3[nH]2)cc1 586900421 JPRAFSIAMYWEQJ-UHFFFAOYSA-N 354.312 4.493 0 1 FIAF CC(=O)N[C@H](Cc1nc2cccc(C)c2[nH]1)c1ccc(Br)cc1 586984368 FRDNYJSIKAJLJI-MRXNPFEDSA-N 372.266 4.054 0 1 FIAF Clc1cnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1Cl 587042687 VYAIHHHKSKNHDR-VXGBXAGGSA-N 365.289 4.211 0 1 FIAF Clc1cccc(OCc2ccc(-c3nc4ncncc4[nH]3)o2)c1Cl 587055385 GVQJXWCAZFPUQQ-UHFFFAOYSA-N 361.188 4.499 0 1 FIAF COc1cnc(-c2nc3c(Br)cc(C)cc3[nH]2)cc1Cl 587064130 BKRXQVORWPIBSG-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF COc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)c(Cl)n1 587084029 SDKFVPGKJBHZBV-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF COC(=O)c1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1OC 587169826 BFBOFTYJJTUCHP-LLVKDONJSA-N 374.437 4.393 0 1 FIAF CCOc1c(Cl)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587375384 LTTNOUOFHKDNBI-MRXNPFEDSA-N 361.825 4.344 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(O)cc1)(c1ccc(F)cc1)O2 587383978 ILUVBOYZAXZXNV-QFIPXVFZSA-N 363.388 4.331 0 1 FIAF COc1cccc([C@@]2(C[C@@H]3CCCO3)CC(=O)c3cc(C)cc(N)c3O2)c1 587412670 NXDOPJFRZFVXRZ-HTAPYJJXSA-N 367.445 4.016 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(-c4cccc(Cl)c4)no1)[C@@H](C2)C3=O 587419293 KTSHLEWRUKNUGM-XOBRGWDASA-N 367.788 4.492 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(C(F)(F)F)c1F)[C@@H](C2)C3=O 587420195 IZHXCXRXWYNKBP-GTNSWQLSSA-N 352.283 4.342 0 1 FIAF CC[C@@H](C)Oc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587442902 ZQPOWFILDBVTPI-DTJNWYTMSA-N 368.429 4.370 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)ccc(Cl)c21 587462679 PXUBVSYEFUNPFI-FQEVSTJZSA-N 371.820 4.119 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC)c(N)c1)CC2=O 587473662 YUWNSDWJMXKHNO-OAQYLSRUSA-N 355.434 4.206 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(O)c(OC)c1)CC2=O 587475610 BDVSEWOQDREILR-OAQYLSRUSA-N 356.418 4.026 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1CC(=O)OCC)CC2=O 587485459 WPADOSKCPIJLBO-SZNDQCEHSA-N 360.450 4.192 0 1 FIAF COc1cccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553367 ANZBQWWKDTXYOZ-WIYYLYMNSA-N 366.344 4.243 0 1 FIAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599143 WBUJFNUDKMAATE-SIKLNZKXSA-N 362.381 4.494 0 1 FIAF Cc1[nH]c2c(C)cccc2c(=O)c1Cc1c(C)[nH]c2c(C(=O)O)cccc12 587639520 YSWOOMXRDKIMBE-UHFFFAOYSA-N 360.413 4.224 0 1 FIAF CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2ccc([C@H](C)CC)cc12 587643265 CISYOQGIZXBBIP-CYBMUJFWSA-N 350.418 4.489 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3ncccc23)N1 587794354 MBLVCJVPIAVGSE-BTDLBPIBSA-N 372.241 4.155 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c[nH]nc3c2)N1 587799048 VYZSUCBQMMGZOQ-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF CCO[C@@H]1C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 587813976 XAKTYNLFXVOAOT-FVMIAERFSA-N 368.290 4.297 0 1 FIAF Cc1cc(OC(C)(C)C)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O 587945394 OCTRPYLRXOLYIH-AWEZNQCLSA-N 354.353 4.302 0 1 FIAF Nc1cc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)[nH]n1 653835861 OMQAFHLIHGBNRS-UHFFFAOYSA-N 361.327 4.322 0 1 FIAF C[C@@]1(Cc2c(Cl)cccc2Cl)c2ccsc2CCN1C(N)=O 962718008 YDYBFYGDXKIICP-MRXNPFEDSA-N 355.290 4.450 0 1 FIAF O=C([C@H]1Cc2ccccc2[C@@H](c2cc(F)cc3cccnc23)N1)C(F)(F)F 962764323 LORVEOWXGPWAIE-AEFFLSMTSA-N 374.337 4.109 0 1 FIAF CCN(CC)CCC[C@]1(C)c2cccc(Br)c2CCN1C 963289967 SKUIBVBFDJKPRR-GOSISDBHSA-N 353.348 4.274 0 1 FIAF CCn1c(=O)cc(C2CC2)c2cc(-c3nc(C)nn3-c3ccccc3)ccc21 1857613140 DYGBFVBRLWFUFC-UHFFFAOYSA-N 370.456 4.455 0 1 FIAF CC(=O)OCC=C(C)CC[C@H]1[C@@]2(C)CCC[C@@](C)(CO)[C@H]2CC[C@@]1(C)O 2356543488 SUHBMXFJOWKXEV-LLVBAIKDSA-N 366.542 4.242 0 1 FIAF O=C1COCc2cc(-c3ccc4c(c3)OCO4)ccc2N1Cc1ccccc1 205212083 TZPAROAIRWRXHW-UHFFFAOYSA-N 373.408 4.146 0 3 FIAF COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 2481180 ZHDPSDRBBGCEPJ-UHFFFAOYSA-N 360.797 4.021 0 1 FIAF CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C 11996577 MDJRZSNPHZEMJH-WCBVEAOTSA-N 374.521 4.059 0 1 FIAF COc1ccccc1-c1cccn([C@H](CN2CCCC2)c2ccccc2)c1=O 13436620 ARSREBXKSOCHHV-JOCHJYFZSA-N 374.484 4.209 0 1 FIAF OC[C@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1cc(Cl)cc(Cl)c1 13783046 ULBNKSMBQPHNIA-OKZBNKHCSA-N 351.229 4.429 0 1 FIAF c1ccc(-c2ccc(NCCCCN3CCc4ccccc4C3)nn2)cc1 13794294 VQRWUURJJTWFRW-UHFFFAOYSA-N 358.489 4.394 0 1 FIAF CC(C)N(CC[C@](CC1CCCCC1)(C(N)=O)c1ccccn1)C(C)C 27522654 QEHPNZNMMQPWPB-JOCHJYFZSA-N 359.558 4.284 0 1 FIAF O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)c1ccc(F)c(F)c1 64539220 XYGUBZZNNZAJKQ-HXUWFJFHSA-N 373.305 4.235 0 1 FIAF O=C1Nc2c(ccc(F)c2F)[C@]1(Cc1ccccc1)c1ccc(O)cc1 64548958 URTRRDFDYQKALW-NRFANRHFSA-N 351.352 4.151 0 1 FIAF CCC(CC)c1nc2c(NCC3CC3)ncnc2n1CC[C@@H]1CCCN1C 82186273 KRKVKTQLLADIHV-KRWDZBQOSA-N 370.545 4.036 0 1 FIAF CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OCCCc2ccccc2)c1 85597509 BAPNGZFOSZLAID-HXUWFJFHSA-N 370.489 4.457 0 1 FIAF biogenic,in-vitro COc1cc2c(cc1O)C(=O)[C@@H](C)[C@H](C)[C@H]2c1ccc(OC)c(OC)c1 85930491 DRKPZVVNEGETTG-PVUDRZGPSA-N 356.418 4.018 0 1 FIAF biogenic,in-vitro C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c3c[nH]cn3)c2c1 95554842 MIKQGYUJUCKCKH-SNVBAGLBSA-N 367.792 4.048 0 1 FIAF CCCCOc1ccc([C@@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1 116195617 MJJZZJSYZRLDKU-IBGZPJMESA-N 350.422 4.013 0 1 FIAF CC[C@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O 135811159 QOGGHJNOQATQIO-LBPRGKRZSA-N 351.859 4.446 0 1 FIAF C[C@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 169372540 CEQYMIBPHSHBNB-BLYZYSMJSA-N 356.462 4.076 0 1 FIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(=N)N)ccc3[nH]2)cc1 586879211 MFXPKDZZXQZULU-UHFFFAOYSA-N 370.412 4.188 0 1 FIAF Cc1nc(Br)sc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587012322 WITGSDGLRRIWIY-UHFFFAOYSA-N 364.055 4.459 0 1 FIAF COC(=O)c1noc(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106905 OOVYYPVFETWNJZ-UHFFFAOYSA-N 370.364 4.196 0 1 FIAF CC(C)Oc1cc2nc(COC(F)(F)F)[nH]c2cc1Br 587124822 OOODGZQBNVHLNP-UHFFFAOYSA-N 353.138 4.149 0 1 FIAF Cc1cccc(NC(=O)Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1C 587239857 YVVODARJCCJIEC-UHFFFAOYSA-N 363.339 4.260 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 587475622 BIWGUJYPRNPWTD-QGZVFWFLSA-N 372.417 4.077 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3ccc(CC)cc31)CC2=O 587482216 CWTKARBTGYSURW-QFIPXVFZSA-N 366.413 4.077 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C[C@@H](C)C(=O)O)(c1ccccc1)CC2=O 587487748 IEBLJSDZASSFBK-JLCFBVMHSA-N 368.429 4.316 0 1 FIAF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO 587522288 GWYWDTZOTBMOIN-OAQYLSRUSA-N 352.430 4.163 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCc1c[nH]cc12 587586691 CTKNBMSXHFLCEA-SIKLNZKXSA-N 361.397 4.304 0 1 FIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587807715 LVWCNXACJNPRGA-BBATYDOGSA-N 364.258 4.395 0 1 FIAF Cc1csc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587850935 GQMKLUAAQPUNKT-AYVTZFPOSA-N 355.276 4.151 0 1 FIAF COc1ccc2c(c1)[C@]1(CC(C)(C)Oc3ccc(O)cc31)N(C(C)C)CC2 962093026 SFXMKTYVXJKSGS-QHCPKHFHSA-N 367.489 4.472 0 1 FIAF CCOC(=O)c1nc([C@H]2N[C@@H](CC)Cc3c2[nH]c2ccccc32)sc1C 962955711 XZLXTJUNMBGQEX-SGTLLEGYSA-N 369.490 4.123 0 1 FIAF COc1ccc2c(c1)[C@H](c1ccn(CC3CCCCC3)n1)N[C@H]1CC[C@@H]21 962995961 NUCUXKAATCIRKC-RCZSKKKRSA-N 351.494 4.411 0 1 FIAF COc1ccccc1OCCNC[C@H]1CSC2(CCCCC2)S1 1772574759 SLTVSABFWNUVNA-HNNXBMFYSA-N 353.553 4.173 0 1 FIAF OCc1ccccc1Oc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 1857611752 ATZDOPZPKXYQCC-UHFFFAOYSA-N 360.369 4.394 0 1 FIAF COc1ccc([C@H](C)Nc2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1 1857630670 ODJTYSRQAXYBFD-LSDHHAIUSA-N 365.477 4.202 0 1 FIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CC=CCCCC(=O)OC 2356376485 TWECVLQAVWUYGO-QYZOEREBSA-N 350.499 4.369 0 1 FIAF O=C(O)c1cccc(-c2cn(-c3ccc(-c4cccc(O)c4)cc3)nn2)c1 2382244723 ULNQVVKGTQYRGO-UHFFFAOYSA-N 357.369 4.005 0 1 FIAF O=C(Nc1ccccc1)OC[C@H]1CCCN(C2Cc3ccccc3C2)C1 2382245796 HMUSVJAJTVZDOX-KRWDZBQOSA-N 350.462 4.115 0 1 FIAF CC(C)C(=O)N1CCC[C@@]1(C)C(=O)Nc1cccc(Oc2ccccc2)c1 61928231 SZOKWBAAQTWXOV-QFIPXVFZSA-N 366.461 4.455 0 3 FIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@H](C)[C@@H](C)[C@@H]3O 1644268 YPUTYHJWWMYIGF-FMTVUPSXSA-N 372.461 4.300 0 1 FIAF biogenic Cc1oc(-c2cccs2)nc1CSCC(=O)NCCc1ccccc1 5057753 KQNZZXOVGKSUEY-UHFFFAOYSA-N 372.515 4.304 0 1 FIAF CCN(CC)c1ccc2cc(-c3n[nH]c(-c4ccccc4)n3)c(=O)oc2c1 5840801 DCIQENUTBBHOJW-UHFFFAOYSA-N 360.417 4.091 0 1 FIAF CC[C@@H](c1ccc(F)c(F)c1)n1c(C(=O)NCC(C)C)c[nH]c1=S 28337601 NVPGETHXIANGPI-AWEZNQCLSA-N 353.438 4.209 0 1 FIAF Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@@H]2C2CCCCC2)cc1 28704319 ZQDDTLSRAQJYMD-GOSISDBHSA-N 353.915 4.461 0 1 FIAF Nc1ccccc1NC(=O)c1ccc(Cc2coc3ccccc3c2=O)cc1 28826557 ZMOWVIWTVNRRBC-UHFFFAOYSA-N 370.408 4.218 0 1 FIAF O=c1cc(-c2ccccc2)c2ccccc2n1C[C@H]1CN2CCC1(F)CC2 95590083 WAKWRGXSRGAPEP-GOSISDBHSA-N 362.448 4.102 0 1 FIAF CC[C@H]1SCCC(=O)N1CCCNc1ccnc2cc(Cl)ccc12 98082410 QIVKXEKUBFRDMD-GOSISDBHSA-N 363.914 4.392 0 1 FIAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2sc3ccccc3[n+]2[O-])C1 103169540 FFWQRLUOTDMYIV-UHFFFAOYSA-N 364.470 4.086 0 1 FIAF Cc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5cccnc5)cc4n3n2)c1 169350943 FCRIVGSDJJARHL-UHFFFAOYSA-N 366.424 4.224 0 1 FIAF COc1nc2cccnc2n1-c1ccc(Nc2ccc(Cl)cn2)cc1 169351379 ONTIBEYEXJAJRW-UHFFFAOYSA-N 351.797 4.221 0 1 FIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@H](C(=O)SCC)[C@H]1CC 169721230 IHAGXWSASLOSNA-CVEARBPZSA-N 359.491 4.357 0 1 FIAF COC1=NCCc2[nH]c(-c3cccc4nc(C)c(NC(C)(C)C)nc34)cc21 206088282 GWBUKZMEQCEWRK-UHFFFAOYSA-N 363.465 4.093 0 1 FIAF COc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1OC 587029718 SXSSOCHSASNRTM-UHFFFAOYSA-N 367.430 4.283 0 1 FIAF Nc1ccc(-c2ccc3nc([C@H](O)c4ccccc4Cl)[nH]c3c2)cc1N 587059462 QTQGOMLEARQMEY-LJQANCHMSA-N 364.836 4.129 0 1 FIAF Clc1ccc(CN2CCC[C@@H]2c2nc3cc4c(cc3[nH]2)OCO4)cc1 587077632 VLIMZIUFWULSEW-MRXNPFEDSA-N 355.825 4.282 0 1 FIAF FC(F)(F)OCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587125780 USVTZKOOCPJIGT-UHFFFAOYSA-N 363.055 4.381 0 1 FIAF Oc1nc(O)c2ccc(-c3ccc(Oc4cc(F)ccc4F)cc3)nc2n1 587368658 UOELYIJNFUBIMN-UHFFFAOYSA-N 367.311 4.174 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1C(C)C)[C@@H](C2)C3=O 587433170 VPNXFHZGTCAZQH-SBUREZEXSA-N 374.440 4.493 0 1 FIAF CCc1oc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)OC 587532810 OBDAQQCELUPNHO-IBGZPJMESA-N 354.402 4.214 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Cl)c2F)N1 587727623 OPXZFEUHFWHAIT-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cncc(F)c2)N1 587736746 WULGEPUUUBMEBN-BTDLBPIBSA-N 367.237 4.330 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ocnc3c2)N1 587779257 XALBVYIOFWCXAL-XYZCENFISA-N 361.214 4.353 0 1 FIAF COc1ccc(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1O 587787298 UZMFRFPMNGQBPC-UHFFFAOYSA-N 352.781 4.006 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC23CCOCC3)N1 587834593 LLEOQQGBLROMHL-KZULUSFZSA-N 368.290 4.298 0 1 FIAF COc1cc2ncn(Cc3cccc(-c4ccccc4)c3)c(=O)c2cc1OC 653711351 AUCHSYOKOLDNBZ-UHFFFAOYSA-N 372.424 4.129 0 1 FIAF CC(C)Oc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)cn1 653801626 QUZYSQQQHFSMNA-UHFFFAOYSA-N 365.433 4.226 0 1 FIAF Cc1ccc(C)c(S/C=C2/NC(=O)c3c(sc(C(=O)O)c3C)N2)c1 958054871 VHDJJBBQAAVFHC-GHXNOFRVSA-N 360.460 4.118 0 1 FIAF O=C([C@@H]1Cc2ccccc2[C@@H](c2cc(F)cc3cccnc23)N1)C(F)(F)F 962764326 LORVEOWXGPWAIE-WMZOPIPTSA-N 374.337 4.109 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(CC(OC(=O)c3ccccc3)C2)N1 962946935 MJUZJURNQRJQNW-LNCJBJJNSA-N 360.457 4.307 0 1 FIAF CCOC(=O)c1[nH]c(C)c([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c1C 963099807 JYEMMWMIPIZFRL-OXQOHEQNSA-N 356.441 4.057 0 1 FIAF Cc1cc2c(cc1O)[C@H](c1ccccc1-c1ccccc1C)N[C@H](C(=O)O)C2 963489956 JIQCONKRWCVPSV-GMAHTHKFSA-N 373.452 4.364 0 1 FIAF O=C(c1ccc(F)cc1)N1CCC[C@H](c2cc3ncc(Cl)cc3[nH]2)C1 1857580121 QJUQIKIZLBGNPP-ZDUSSCGKSA-N 357.816 4.375 0 1 FIAF CC[C@@H](C)Sc1nc(O)c(C)c([C@@H](OC)c2c(F)cccc2F)n1 1857601848 HYFILTOLHVUOFD-PSLIRLAXSA-N 354.422 4.395 0 1 FIAF Cc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)[N@@]2S(=O)(=O)c2ccc(C)cc2)cc1 1857623980 KWYXQHAUBJOQFR-KNKQGSTJSA-N 371.502 4.033 0 1 FIAF CC(=O)O[C@@H]1OC(=O)c2ccc(C[C@H]3CCCC(C)(C)C3)c(C(C)=O)c21 5167515 RGZDSRRDRQIAFS-JLTOFOAXSA-N 358.434 4.380 0 1 FIAF biogenic COc1cc(OC)c(NC(=O)c2cc(C(C)=O)n3ccccc23)cc1Cl 6914273 OCRRSANXPDTTFV-UHFFFAOYSA-N 372.808 4.065 0 1 FIAF CN(C)C[C@H]1C[C@@H]2c3c(cccc3C(F)(F)F)Cc3ccccc3N2O1 13437124 ZNWOCPPAOLYORT-CRAIPNDOSA-N 362.395 4.423 0 1 FIAF Clc1cccc(-n2cc(CN3CCc4[nH]nc(C5CCC5)c4C3)cn2)c1 43082546 UTUAGBCSAFRRBQ-UHFFFAOYSA-N 367.884 4.075 0 1 FIAF COc1ccc(Cc2nc(NC(=N)Nc3ccccc3)ccc2OC)cc1 45301476 WOJURTRNDBAFTQ-UHFFFAOYSA-N 362.433 4.148 0 1 FIAF Cc1cccc(NC(=O)Nc2cccnc2)c1NC(=O)Nc1cccnc1 45370226 UYHFFMOGSURNNZ-UHFFFAOYSA-N 362.393 4.073 0 1 FIAF COc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)cc1 58603609 USSHQDHVRSZESG-SFHVURJKSA-N 368.433 4.000 0 1 FIAF Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC[C@@H](O)c1ccco1 58608588 QKTRBTWYSXCKTF-GNXKAVGDSA-N 367.489 4.167 0 1 FIAF COC(=O)c1c(C)csc1NC(=O)Cc1ccc(-c2ccncc2)cc1 66073813 MZFRCQRBHBNGFV-UHFFFAOYSA-N 366.442 4.086 0 1 FIAF COc1ccc(-c2cc(C[C@@H]3CCCC3=O)ccc2[C@H](C)C(=O)O)cc1 72107429 NWNGLICJCGYJBZ-YOEHRIQHSA-N 352.430 4.462 0 1 FIAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccccc3C)C2)cc1C 95574360 USKWMNFMQYXZEE-LJQANCHMSA-N 363.486 4.392 0 1 FIAF C[C@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1 95579363 CTQRPHPMMNDRFL-HNNXBMFYSA-N 356.441 4.498 0 1 FIAF Cc1ccc2c(c1)nc(CCc1ncc3cccnn13)n2-c1ccccc1 98209602 UVMQXAHTUGJOHF-UHFFFAOYSA-N 353.429 4.162 0 1 FIAF in-vitro CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccs2)C2=C(O)CCCC2=N1 103912843 VZOPGLBSALAYRG-DJJJIMSYSA-N 373.474 4.279 0 1 FIAF O[C@@H]1CCC[C@@H](c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139349772 UMTVKOCJSLGBPV-NVXWUHKLSA-N 362.433 4.426 0 1 FIAF Cc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)ncc(=O)n1C 221000549 KCUPPAZXYZEBGP-UHFFFAOYSA-N 355.825 4.213 0 1 FIAF CC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@@H]4C[C@H]3[C@H]3O[C@@H]43)[C@]1(Cl)C2(Cl)Cl 238748934 NGPMUTDCEIKKFM-SOSCXDSJSA-N 360.495 4.305 0 1 FIAF CC(=O)O[C@@H]1CC[C@@](C)(CCC=C(C)C)[C@@H]2CC=C3CO[C@@H](O)[C@@H]3[C@]21C 238776512 KGMGBBURGHXQKU-SNMGDHFUSA-N 362.510 4.382 0 1 FIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(C(N)=O)ccc2[nH]1 587065879 BSPWKSMDFKVVMQ-UHFFFAOYSA-N 350.809 4.081 0 1 FIAF Cc1cc(Cl)ccc1OCCCc1nc2cc3c(cc2[nH]1)OCCO3 587065895 CLLVEKVINIUNBA-UHFFFAOYSA-N 358.825 4.308 0 1 FIAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc3ncccc3c2[nH]1 587066922 JIMPNPDARDJOIJ-UHFFFAOYSA-N 367.792 4.165 0 1 FIAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3ccccc3cc2[nH]1 587193628 CTAQRCGFKYPRRE-INIZCTEOSA-N 368.481 4.234 0 1 FIAF CCO[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357061 SCOYFOWYHLYDSX-DYXWJJEUSA-N 356.393 4.218 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc(OC(F)(F)F)c1)O2 587381675 HUGZUXPLTJUESF-HNNXBMFYSA-N 355.287 4.321 0 1 FIAF CCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400363 NBDNISIDBPTEDY-LJQANCHMSA-N 355.434 4.471 0 1 FIAF COc1cc2c3c(c1)OC1(CCC(c4ccc(O)cc4)CC1)[C@@H](C2)C3=O 587448487 CRAXHVUUCZPZQM-PYGWLIJMSA-N 350.414 4.245 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCc4csc(SC)c41)[C@@H](C2)C3=O 587451898 PKILKEGRJYLQPK-DJJJIMSYSA-N 358.484 4.458 0 1 FIAF O=C1C[C@@]2(CC[C@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 587529016 HUKUFKFLEYQWCM-GAJHUEQPSA-N 362.425 4.388 0 1 FIAF Cc1cnc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587552487 RUIQQTWNQUTSPG-VQIMIIECSA-N 367.788 4.452 0 1 FIAF Nc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575784 DIVXVWCYLQDNTJ-OFNKIYASSA-N 373.408 4.168 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)C1CC1 587586950 MELSDNKMWWBYOP-UGKGYDQZSA-N 359.381 4.054 0 1 FIAF CCc1noc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588919 VIOBFVZXWXCWKO-GHTZIAJQSA-N 365.385 4.128 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2ccn3C)N1 587758604 QYGRLTBTRXGNNQ-BBATYDOGSA-N 363.274 4.041 0 1 FIAF Cc1cc2c(cn1)[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587779579 UJKDQGDEBZTFLM-VOJFVSQTSA-N 361.258 4.016 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cnccc23)N1 587807639 XQXSJXHLBXXTNK-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cc3ccccc3OC2)N1 587835560 PSPGWNSPMYGHBR-BUXKBTBVSA-N 374.253 4.424 0 1 FIAF NC(=O)/C(=C\c1ccccc1O)c1nc(-c2cccc(Cl)c2)cs1 587920486 MCVLOAMVGKNAPA-NTEUORMPSA-N 356.834 4.195 0 1 FIAF CC(C)c1ccc(-c2cc(O)n(-c3cc(O)cc(C(=O)O)c3)c2O)cc1 587927786 YIQPZKZGPIRYJI-UHFFFAOYSA-N 353.374 4.083 0 1 FIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3cc(C(F)F)ccc3C2)cc1 1772621013 NMECNOZATIAAIB-CQSZACIVSA-N 358.432 4.380 0 1 FIAF CSc1nc(Cl)cc(Sc2n[nH]c(-c3cc(F)cc(F)c3)n2)n1 1857596130 GUBQTGQAOBXFOO-UHFFFAOYSA-N 371.825 4.066 0 1 FIAF Cc1ccc2nc(NC(=O)CCn3c(=O)sc4ccccc43)sc2c1 4121597 QVXWZHSUCHELPF-UHFFFAOYSA-N 369.471 4.010 0 3 FIAF COc1ccc(-c2csc([C@@H](NC(C)=O)c3cccc(F)c3)n2)cc1 61908919 GDVCLCYWQPUGOP-SFHVURJKSA-N 356.422 4.183 0 3 FIAF C[C@@]1(C(=O)NCc2cccc3ccccc23)CCN1CCc1ccccc1 61928015 ZOKSURHJVOTAOV-DEOSSOPVSA-N 358.485 4.163 0 3 FIAF c1ccc2c(c1)CCN(Cc1ccc(OCCCN3CCCCC3)cc1)C2 1552002 IBEFILCHUHYSKH-UHFFFAOYSA-N 364.533 4.500 0 1 FIAF COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccc(C)cc2)C1 5940515 NMNOSPOHOSXIMN-UHFFFAOYSA-N 372.428 4.259 0 1 FIAF CSc1ccc(C(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)cc1 11661809 OOKAHKOMYSIQGL-LJQANCHMSA-N 354.519 4.145 0 1 FIAF COc1c2c(c(OC)c3occc13)O[C@H](c1ccccc1)[C@@H](OC)[C@@H]2OC 15045239 DUBHYVXCUVFSJU-XFQXTVEOSA-N 370.401 4.286 0 1 FIAF biogenic O=C(NCC1CCN(CCC2CC2)CC1)c1cc(Cl)cc(Cl)c1 40953261 LHSIQZPMBJMORH-UHFFFAOYSA-N 355.309 4.235 0 1 FIAF NCCCOc1ccc(CNCC(c2ccccc2)c2ccccc2)cc1 43059175 HUSOHFXAOFKPSC-UHFFFAOYSA-N 360.501 4.336 0 1 FIAF CN(C)Cc1cccc(-c2cc3c(-c4cnn(C)c4)c(Cl)cnc3[nH]2)c1 45334698 ULOLUGXMKLIZGE-UHFFFAOYSA-N 365.868 4.345 0 1 FIAF CCOC[C@H](Cc1c[nH]cn1)Nc1nccc(-c2ccc3ccccc3c2)n1 45389706 BSLUSXDIUVOKOO-FQEVSTJZSA-N 373.460 4.080 0 1 FIAF COc1ccc(Cn2cnc3c(-c4cccs4)nc(Cl)nc32)cc1 59704184 GGTVKGNUVZBJED-UHFFFAOYSA-N 356.838 4.265 0 1 FIAF CC(C)=CCn1cc(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 64454471 PFVMYFZGVDGAKN-UHFFFAOYSA-N 358.441 4.446 0 1 FIAF CCOC(=O)C1=C(N)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 98083856 CBRPVWSOPWWIKQ-GOSISDBHSA-N 355.384 4.312 0 1 FIAF CCOC(=O)C1=C(O)/C(=C\c2ccc(OCc3ccccc3)cc2)N=C1C 103540416 HAIFPWUYVZBRIQ-CPNJWEJPSA-N 363.413 4.456 0 1 FIAF O=C(OC1[C@@H]2CC[C@@H]1[C@@H]1CN(CCc3ccccc3)C[C@@H]21)c1ccccc1 169293358 MWVAYBRVMWOVBX-CZYKHXBRSA-N 361.485 4.043 0 1 FIAF CCCCC[C@@](C)(O)/C=C/[C@H]1COC(=O)[C@@H]1CCCCCCC(=O)OC 169321677 KQCWGFLYBMPGPZ-ATBPNFJWSA-N 368.514 4.177 0 1 FIAF CC(=O)c1cccc(-c2ccc(C[C@]3(C)SC(=O)[C@H](C)C3=O)cc2)c1 169720210 HELNUCPCXSQUQA-ASSNKEHSSA-N 352.455 4.336 0 1 FIAF C1=C[C@H]2[C@H](c3ccnc(Nc4ccccc4)n3)C(c3ccccc3)=NN2C=C1 169720374 LBVCYKSFXVQSBC-SFTDATJTSA-N 365.440 4.476 0 1 FIAF CCCNC(=O)[C@@H]1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 169720749 UOGTZDGSELFLDY-CVEARBPZSA-N 365.264 4.028 0 1 FIAF CC(C)[C@@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F 204418916 HXCSRZMFDCEUNO-QGZVFWFLSA-N 356.363 4.013 0 1 FIAF COC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2Cc1ccccc1 253694055 AOTHPBKOMYVVMW-PLACYPQZSA-N 353.437 4.135 0 1 FIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 586886910 GYYZAQMGRVAGRZ-KCJUWKMLSA-N 370.762 4.122 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1 586915938 JFKNIOSWEXTAAU-YJYMSZOUSA-N 355.825 4.136 0 1 FIAF C[C@@H]1O[C@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586916713 CDCUFJNLRIZDTJ-BJOHPYRUSA-N 361.323 4.294 0 1 FIAF CCc1cc(O)nc(SCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)n1 586967372 YUBWPEAVDQJNAQ-UHFFFAOYSA-N 372.347 4.071 0 1 FIAF Brc1n[nH]c2ccc(-c3nc4cnc5ccccc5c4[nH]3)cc12 587007150 MUDSJMWTXPOHGU-UHFFFAOYSA-N 364.206 4.417 0 1 FIAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2nc(Cl)ncc2[nH]1 587076657 LCPUTECTMVTIBK-UHFFFAOYSA-N 358.188 4.094 0 1 FIAF Clc1ccc2ccn(Cc3nc4c(Br)ccnc4[nH]3)c2c1 587079700 FXTLLBFNWCOYII-UHFFFAOYSA-N 361.630 4.377 0 1 FIAF COC1=Cc2nc3cccc4c3c(c2[C@H](C(=O)O)C1)-c1ccccc1C4=O 587105921 BPLLMXOLXZJOMW-OAHLLOKOSA-N 357.365 4.005 0 1 FIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cccc(OC)c4[nH]3)c2)c1 587236555 XPVYHQICCDJWEI-UHFFFAOYSA-N 371.440 4.189 0 1 FIAF Nc1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1C(=O)O 587251096 YQZDPPGEKLLPQZ-UHFFFAOYSA-N 359.385 4.089 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(C(F)(F)F)cc1C)O2 587380795 ATVRFVJIVZBRRD-QGZVFWFLSA-N 350.340 4.180 0 1 FIAF CCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(F)F 587381942 IVMXWBAPNHTJIB-INIZCTEOSA-N 363.360 4.284 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ncc1Cl 587570660 OXKMEJRGQDYWPA-VQIMIIECSA-N 371.751 4.283 0 1 FIAF Cc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615312 WBCYJUMQZFULGV-QAPCUYQASA-N 353.399 4.168 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN=O)(c2ccccc2)N1 587741512 NXSHHSMQXQWBRA-DIFFPNOSSA-N 363.230 4.132 0 1 FIAF Cc1ccn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc2c1 587772203 DWWTVCGPUYZJRP-ZMZPIMSZSA-N 374.257 4.168 0 1 FIAF CC(C)C(=O)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810239 CFHNDIGHXRNPAT-APPDUMDISA-N 356.279 4.343 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C2(C)CC2)N1 587815922 RGBUVOPKLTZYTF-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF C[C@@]1(CC(=O)NC2CCCC2)c2ccsc2CCN1Cc1ccco1 962715592 XCPKATXHNFGZPI-HXUWFJFHSA-N 358.507 4.064 0 1 FIAF COc1cc([C@@H]2NCCc3cnc4c(OC)cccc4c32)c(F)cc1Cl 963050025 XRRNGPWWYNZRTF-FQEVSTJZSA-N 372.827 4.280 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(F)c(F)cc1Cl 963060770 WUCDJHQRLQXGGZ-LJQANCHMSA-N 360.791 4.410 0 1 FIAF Cn1nc(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c2ccccc21 1772592336 MGRQSEWUUXEVCO-INIZCTEOSA-N 363.442 4.303 0 1 FIAF O=S1(=O)c2ccccc2CN1c1cc(F)cc(Oc2ccccc2)c1 1772605269 PCSGJZXEGRHDSH-UHFFFAOYSA-N 355.390 4.327 0 1 FIAF CCc1sc2ncnc(N[C@H](C)C(=O)O)c2c1-c1ccc2[nH]ccc2c1 1857551550 QOISOOHIVJLDFS-SNVBAGLBSA-N 366.446 4.287 0 1 FIAF COc1c(O)cc([C@H]2CC(=O)c3c(O)cc(O)cc3C2)cc1CC=C(C)C 2356505143 TXFYGVSFMUHNGL-OAHLLOKOSA-N 368.429 4.233 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCOc2ccc(-c3ccncc3)cc2C1 2382221780 FURXPGXFOFXDJB-UHFFFAOYSA-N 363.392 4.314 0 1 FIAF CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C1CC1 4341992 PHQUGWKMQDJGQM-UHFFFAOYSA-N 364.401 4.432 0 3 FIAF CCCCC(=O)Nc1cc(OC)c(NC(=O)C2CCCCC2)cc1OC 5978003 WHMZPKHSRAUFLX-UHFFFAOYSA-N 362.470 4.351 0 3 FIAF CC(C)[C@@H](N)c1csc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 61908849 KYLVNMQZPOHQBJ-GFCCVEGCSA-N 374.388 4.342 0 3 FIAF Cc1ccc(-c2nc3ncccn3c2NC(=O)Nc2ccc(F)cc2)cc1 203466281 SRSRVPGITAGRPN-UHFFFAOYSA-N 361.380 4.488 0 3 FIAF O=C(O)c1ccc2c(c1)nc(-c1ccc(C(=O)O)o1)n2C1CCCCC1 28106783 JWCWFMUXQOIBOD-UHFFFAOYSA-N 354.362 4.198 0 1 FIAF COc1cccc2c1OCC[C@H]2CCCN1CCN(C2CCCCC2)CC1 66074378 OFHQJGZDDSMQBQ-LJQANCHMSA-N 372.553 4.292 0 1 FIAF Cc1ccc(/C(=C2\C(=O)Nc3ccc(N)cc32)c2nc3ccccc3[nH]2)cc1 84740710 XEXXZNRVWFKESS-QZQOTICOSA-N 366.424 4.365 0 1 FIAF COc1ccc([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2=O)cc1OC 95572691 FEKWHPXOKSRHGK-INIZCTEOSA-N 366.413 4.247 0 1 FIAF C[C@@H](C(=O)NCc1ccc(CN)cc1)c1ccc(-c2ccccc2)c(F)c1 95580786 FHYZRKQSKXWLMZ-MRXNPFEDSA-N 362.448 4.371 0 1 FIAF CC1=NN=C(N)N/C1=C/[C@@H](Sc1ccc(Cl)cc1)c1cccs1 102958590 RUHVYEWVBWKGEC-BMQCOBNYSA-N 362.911 4.413 0 1 FIAF Cc1ccc(NC(=O)c2c(NO)cc(-c3ccc(Cl)cc3)oc2=O)cc1 103241654 NXNRZEZCDCACGL-UHFFFAOYSA-N 370.792 4.322 0 1 FIAF CCCCCCN(Cc1cccc2ccccc12)C(=O)[C@@H](N)CCCCN 103256890 SZFYHQIXLKBEQD-QFIPXVFZSA-N 369.553 4.205 0 1 FIAF C[C@H]1CCCN1C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144702430 DSMJXXGULMFKQB-HXPMCKFVSA-N 361.363 4.090 0 1 FIAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)C1 299845591 KKKDKPNLCGIUKS-KKSFZXQISA-N 367.468 4.141 0 1 FIAF O=C(O)c1ccccc1/C=C/c1nc2cc(Br)cc(F)c2[nH]1 586880756 RPLKPSAZCGTCRD-AATRIKPKSA-N 361.170 4.333 0 1 FIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3c(C)c(Br)cnc3[nH]2)cc1 586892291 WJUWCFVEWKKCIK-BMIGLBTASA-N 360.255 4.174 0 1 FIAF Fc1c(Br)ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587016380 KUZBLLFGMFSOHP-JTQLQIEISA-N 368.231 4.440 0 1 FIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587052899 SAWPLWZACDFJEE-SECBINFHSA-N 358.175 4.096 0 1 FIAF FC(F)(F)CCc1ocnc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587091127 BKPLTMUCFWNYFU-UHFFFAOYSA-N 350.222 4.127 0 1 FIAF Cc1ccc2c3c(c4c(nc13)-c1sc(=N)[nH]c1CC4)-c1ccccc1C2=O 587100837 AWZDMOJJDXMMDO-UHFFFAOYSA-N 369.449 4.389 0 1 FIAF Cc1cc(Br)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1F 587137774 KQMFTJNAOZJXRE-UHFFFAOYSA-N 374.213 4.325 0 1 FIAF Cc1cc(Br)c(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1F 587138173 YZIZHSXAZSMLSU-UHFFFAOYSA-N 363.186 4.211 0 1 FIAF COc1ncc(F)cc1-c1nc2c(Br)cc(Cl)cc2[nH]1 587176137 OTGYFNRVBNJQRZ-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF CC(C)CCOc1cc2nc(C[C@@H](C)N(C)C)[nH]c2cc1Br 587189881 FAMJJTBBIIMODC-GFCCVEGCSA-N 368.319 4.243 0 1 FIAF COC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3cccc4c3c(c2C1)CC4 587212430 JJTVFADNVLYUNJ-HSZRJFAPSA-N 361.416 4.072 0 1 FIAF NC(=O)Nc1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587241673 FXSRJCQYBXCOLV-UHFFFAOYSA-N 358.401 4.300 0 1 FIAF COc1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2n1 587247449 MFJBIDURMAXUMP-UHFFFAOYSA-N 360.417 4.381 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCc4ccc(Br)cc41)[C@@H](C2)C3=O 587416458 BKYAIFQVWVPTGV-KXBFYZLASA-N 371.230 4.047 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCOc4c(C)cc(Cl)cc41)[C@@H](C2)C3=O 587422429 PXYDAUMKBJCEDD-BTYIYWSLSA-N 370.832 4.473 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(C(=O)OC(C)(C)C)c1)[C@@H](C2)C3=O 587440806 QQWYCVHLFLHUHK-JXFKEZNVSA-N 366.413 4.139 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)Oc3cc(N)ccc31)CC2=O 587472550 JNNCRNCDUPZFPI-OAQYLSRUSA-N 351.402 4.084 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC(C)=O)c1)CC2=O 587482173 SGTGERSUOFTKON-NRFANRHFSA-N 354.402 4.151 0 1 FIAF C[C@@]1(c2ccc(C(=O)O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506792 PKKXHLZFLRGXDD-NRFANRHFSA-N 354.377 4.283 0 1 FIAF O=NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570150 ICTHJOVJMSZOPM-GHTZIAJQSA-N 361.353 4.016 0 1 FIAF CNc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587580634 TUOUSTVKLNIOMS-SIKLNZKXSA-N 361.397 4.311 0 1 FIAF CCc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615033 VBCWNQLFEMNAHP-MAUKXSAKSA-N 353.399 4.114 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ncc2Cl)N1 587738817 QVQPPTKBAWWLOR-MLXNANBUSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(C2CC2)N1 587773717 RMWAJPOLHATWPJ-BBATYDOGSA-N 361.258 4.171 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccncc32)N1 587777228 GCWZMYFIDUWAKS-ADLMAVQZSA-N 361.258 4.097 0 1 FIAF Cc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587852490 LOHGGFXFQIOSLG-VPTHRUTESA-N 369.303 4.459 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)cc(C(F)(F)F)n1 587871329 TUMPNFBWOXOJKW-UHFFFAOYSA-N 366.318 4.194 0 1 FIAF CCN(CC)S(=O)(=O)c1ccc2nc(CC3CCCCCC3)[nH]c2c1 587959999 DQLQBOJTZYQOCL-UHFFFAOYSA-N 363.527 4.106 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(F)ccc1OC(F)F 963063122 ZRASDLSWFKYAPU-LJQANCHMSA-N 374.362 4.219 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1csc(Br)n1 963117830 ZCTZFAQZRUHMOT-SMDDNHRTSA-N 353.260 4.155 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccnc(Br)c1N 963232134 CRUZGKKLJVVDPZ-SJKOYZFVSA-N 360.299 4.172 0 1 FIAF Cc1cccc2c1[C@](C)(C(F)F)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841657 QJKAOHXIYBTZAI-BFUOFWGJSA-N 369.408 4.112 0 1 FIAF COc1ccccc1CN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1203437540 DWWSMHDSJOEOEM-ZZLPTCMGSA-N 352.522 4.090 0 1 FIAF COc1ccc(-c2cc(F)cc([C@H](CC(=O)O)c3ncco3)c2)c(F)c1 1772590836 WGGNWXJNHVFXSM-INIZCTEOSA-N 359.328 4.235 0 1 FIAF COc1cc(N(CCN)C(=O)c2ccc(Cl)cc2Cl)ccc1Cl 1772603924 HBQGZIFYWNAUNZ-UHFFFAOYSA-N 373.667 4.261 0 1 FIAF CC(C)(C)c1cccc(OCCOc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 1857649464 DPLUHNJIYWLIIS-OAHLLOKOSA-N 370.445 4.393 0 1 FIAF COc1cc([C@H](C[C@@H](C)[C@@H](C)CO)c2ccc(OC)c(OC)c2)ccc1O 2356394959 IIOUDXQFBYWNMG-VKJFTORMSA-N 374.477 4.205 0 1 FIAF CN(CCc1ccccn1)C(=O)c1ccc2c(c1)ncn2C1CCCCC1 201460338 MBOXJBKWPNRPPN-UHFFFAOYSA-N 362.477 4.251 0 3 FIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@H](C)[C@@H](C)[C@H]3O 1540639 YPUTYHJWWMYIGF-SEDUGSJDSA-N 372.461 4.300 0 1 FIAF biogenic CC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2nc(-c3ccccc3C)oc2C)C1 5044276 OTQIQDQSYDVSQM-FUHWJXTLSA-N 369.509 4.085 0 1 FIAF CN(C)CCCN1c2cc(O)ccc2Sc2cc(O)c(Cl)cc21 5317495 BECGZYKNPMWKFC-UHFFFAOYSA-N 350.871 4.306 0 1 FIAF CCc1nc(-c2cc(OC)cc(OC)c2)cc2cc(OC)c(OC)cc12 13282176 QLGBFFWOOVIJJT-UHFFFAOYSA-N 353.418 4.499 0 1 FIAF O=C1C[C@@H]2c3ccccc3O[C@@H]3c4cccc(O)c4-c4c(O)cc(O)c1c4[C@@H]23 14617069 VYRXNKPPFHPOIN-UMAWSMADSA-N 372.376 4.371 0 1 FIAF biogenic,in-vitro CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ccccn2)/C1=C(\O)OC1CCCCC1 27556051 ZZNLKHRHUQWXKF-FDCFBWIESA-N 357.410 4.267 0 1 FIAF CC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C)cc1 28823241 OSHRDPYOVIJFMF-CQSZACIVSA-N 367.898 4.135 0 1 FIAF Cc1c(Cl)ccc2c1NC(=O)C2(c1ccccc1O)c1ccccc1O 28883976 WYAJOYXOBSAKOS-UHFFFAOYSA-N 365.816 4.346 0 1 FIAF CC(C)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@@H](C)CNC4=O)cc1 28902119 HMEVETSOKVZITQ-ZDUSSCGKSA-N 361.445 4.391 0 1 FIAF O=C1N(CCCCCCOc2ccc(F)cc2)CCN1c1cccnc1 29394938 YWBCZHBECRUWIB-UHFFFAOYSA-N 357.429 4.102 0 1 FIAF O=C(O)CCC/C=C/C[C@H]1CO[C@H](C(F)(F)F)O[C@H]1c1ccccc1O 35635979 ZWAVGFSZMACJHA-MXKNFBEUSA-N 374.355 4.186 0 1 FIAF Cc1cccc(NC(=O)Nc2ccc(-c3c(C)nc4ccnn4c3N)cc2)c1 40896607 ODDHCKUJIFUMQV-UHFFFAOYSA-N 372.432 4.239 0 1 FIAF O=C(OCc1ccccc1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1 64549716 OSKRXGYQUJHVNK-UHFFFAOYSA-N 364.272 4.358 0 1 FIAF COc1cc(N(C)C)ccc1NC(=O)Nc1cc(C)nc2ccccc12 71418549 LSIQNLAIUPOMMJ-UHFFFAOYSA-N 350.422 4.262 0 1 FIAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 82132495 YKUKLFALWCLPGQ-APWZRJJASA-N 364.493 4.052 0 1 FIAF CCCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 82133173 RTMNGWCWGNSQSB-IAGOWNOFSA-N 366.509 4.474 0 1 FIAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2c(c1)OCCCO2 95589234 DQQYGMAXFRKJKB-SFHVURJKSA-N 370.836 4.199 0 1 FIAF Cc1ccc(-c2c[nH]c([C@H]3COCCN3Cc3c[nH]c4ccccc34)n2)cc1 98083383 DORVDWKAIWWCKN-JOCHJYFZSA-N 372.472 4.440 0 1 FIAF biogenic C(=C/c1ccc([C@@H]2[C@H]3CN(Cc4ccccn4)C[C@@H]2N3)cc1)\c1ccccc1 100106712 MLABMSOVHJIASU-SRQLCYDRSA-N 367.496 4.192 0 1 FIAF CCC[C@H]1[C@H]2Cc3ccc(O)c4c3[C@]1(CCN2CCc1ccccc1)CO4 100808558 SDQPVMFZNAUAFW-DCLXLUIPSA-N 363.501 4.312 0 1 FIAF CC[C@H]1[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)CC(=O)[C@@H]1C 102209923 QFHHXPQTADJUKH-KAEPQQFISA-N 367.533 4.312 0 1 FIAF COc1cccc([C@@H]2CCCN(c3nc(-c4ccncc4)cs3)C2=O)c1 146360151 ULFBOWKRIWQPTO-KRWDZBQOSA-N 365.458 4.124 0 1 FIAF C[C@@H]1CCc2c(c(O)n(-c3ccccc3OC(=O)c3ccccc3)c2O)C1 169688175 ATIKXNJFKCKHNN-CQSZACIVSA-N 363.413 4.233 0 1 FIAF CCOC(=O)C(=Cc1c(-c2ccccc2)[nH]c2ccccc12)C(=O)OCC 196807719 AXSHIOSWRCGLLB-UHFFFAOYSA-N 363.413 4.345 0 1 FIAF O=S(=O)(NCc1ccc(-c2ccsc2)cc1)c1cc2ccccc2[nH]1 203657918 JNOPDPZQTBHQID-UHFFFAOYSA-N 368.483 4.375 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O 238780522 ODYKCPYPRCJXLY-AJIIZAQNSA-N 356.506 4.196 0 1 FIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587052533 DWIMKDRFJXQTBX-LLVKDONJSA-N 373.737 4.322 0 1 FIAF COc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)c(Cl)n1 587083631 CRMGPJWJPOQYGF-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF Cc1c(F)ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587126454 XETKNZRKXJMTNG-JMCQJSRRSA-N 353.323 4.181 0 1 FIAF CCOc1cc(/C=C/c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OC(F)F 587129199 DEFSGBWRBOSKLJ-XBXARRHUSA-N 374.343 4.432 0 1 FIAF N[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(F)cc1F 587151964 XGOJRAOFWJSMKA-LBPRGKRZSA-N 372.600 4.305 0 1 FIAF COC(=O)[C@H](C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522791 HSTUFZHXDNKUHU-NPMXOYFQSA-N 364.441 4.235 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(F)c1 587556638 YORQGGSPVURMAW-YLJYHZDGSA-N 354.308 4.373 0 1 FIAF CCn1cnc(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587705264 LYAXPZVWBHDYQT-ISVAXAHUSA-N 372.669 4.082 0 1 FIAF Cc1cccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587769463 GGXZQIDSHCAANU-KPZWWZAWSA-N 363.274 4.284 0 1 FIAF CC(C)c1nc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 587771106 BKXBBMPFKXBJIG-BTDLBPIBSA-N 367.262 4.497 0 1 FIAF Cc1ccccc1-c1cc(O)n(NCc2ccccc2Br)c1O 587941760 VMXIBZJVOZGTPA-UHFFFAOYSA-N 373.250 4.381 0 1 FIAF Cc1ccc(-c2nnn(CCCN3CCC[C@@H]3c3cccc(C)c3)n2)cc1 1857541691 RSPXVNPNEIXPSY-OAQYLSRUSA-N 361.493 4.184 0 1 FIAF CC1=C[C@H](CN(C)Cc2cccnc2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356709246 UXHLQCSYSLXQGJ-PWRODBHTSA-N 368.525 4.302 0 1 FIAF COC(C)(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21 2356837228 LIILIPZHPPPYFU-SCGCMHLBSA-N 364.482 4.274 0 1 FIAF CCO[C@@H]1C[C@@H](c2ccc3c(c2)C(=O)C[C@@](C)(O)C3)c2c(OC)cccc21 2356854781 RSHNJIADZFGREQ-ZEYPLWLESA-N 366.457 4.188 0 1 FIAF COCCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc12 3658397 AHMHQRAIZSPNNE-UHFFFAOYSA-N 370.449 4.291 0 3 FIAF Cc1ccc(NC(=O)[C@@]2(C)CCN2Cc2ccccc2OC(F)F)cc1 61908962 CKOAKKHWGBVOAR-HXUWFJFHSA-N 360.404 4.200 0 3 FIAF COc1ccc(/C=C2\C[C@@]3(OC(=O)c4ccc(F)cc4)CCCN2C3)cc1 96018826 WUTQUIJENUEAHY-JJEHFPDLSA-N 367.420 4.271 0 3 FIAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3cccn3CC)cc2)C[C@@H]2CC[C@H]1N2C 27549866 ZEBKVNWXQZNPAB-YVNJGZBMSA-N 366.505 4.304 0 1 FIAF Cc1ccc2nc(NS(=O)(=O)c3cc(Cl)ccc3Cl)oc2c1 36241901 HOJNFSFZOFBXES-UHFFFAOYSA-N 357.218 4.244 0 1 FIAF COc1ccc2c(c1)[C@@H](c1ccccc1N)N(CCOc1ccccc1)CC2 40407488 ZBZLSJOEHCUEAM-XMMPIXPASA-N 374.484 4.304 0 1 FIAF O=C(O)c1ccc2c(c1)[C@@H]1CCN[C@H](Cc3cccc4ccccc34)[C@H]1N2 40461359 FPRFIUYLFZQUHW-BWAGFHJFSA-N 358.441 4.020 0 1 FIAF COc1ccc(/C=C/c2cc(Br)c(OC)c(OC)c2)cc1O 40860824 LDMARZLQOPWXCV-SNAWJCMRSA-N 365.223 4.351 0 1 FIAF Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(-c2ccc(O)cc2)n1 40896727 SBKCBYIILDUCAF-UHFFFAOYSA-N 352.365 4.212 0 1 FIAF CN1CCN(c2cccc3[nH]c(Cc4cccc5ccccc45)nc23)CC1 45246064 DZCOFFSCUNYLGZ-UHFFFAOYSA-N 356.473 4.059 0 1 FIAF O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](C/C=C/C=C/c4ccccc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 84688547 NOUPIFUCBJJMRR-PJPMCNLBSA-N 374.480 4.332 0 1 FIAF O[C@@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1n[nH]c2ccccc12 101185172 IHAPBZBYXJKWJA-UPHUGPLXSA-N 367.880 4.231 0 1 FIAF Cc1nc(SCC(=O)c2ccc(F)cc2)n(Nc2ccccc2)c1C 103244301 KHVRADNCWHZCKZ-UHFFFAOYSA-N 355.438 4.489 0 1 FIAF c1ccc2nc(N3CC(c4nccnc4N4CCCCCC4)C3)ccc2c1 139830229 ZHYCDGSVRAZWBT-UHFFFAOYSA-N 359.477 4.009 0 1 FIAF Cc1csc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)n1 206687150 LIOOTXWDESIBTK-UHFFFAOYSA-N 371.506 4.178 0 1 FIAF Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)CC2CC2)cn1 207684658 HNVTXPSBGUAYNT-ZDUSSCGKSA-N 364.276 4.406 0 1 FIAF O=C1c2ccccc2-c2cc(-c3cc(O)ccc3O)nc3ccc(O)c1c23 586991439 NSDXBLGFWGVXKE-UHFFFAOYSA-N 355.349 4.230 0 1 FIAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587049357 HGDBXVVHOMELMI-UHFFFAOYSA-N 369.787 4.167 0 1 FIAF N[C@@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1Cl 587058801 ZKPDZXPUXJBJQB-NSHDSACASA-N 368.637 4.360 0 1 FIAF Cc1ccc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1C(F)(F)F 587094528 AXVJWGWMEBZHBI-UHFFFAOYSA-N 352.287 4.318 0 1 FIAF COC(=O)c1cc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2cc1OC 587109705 MJWLSRJYMLHAFE-UHFFFAOYSA-N 368.286 4.183 0 1 FIAF CN(C)c1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)nc1 587195635 YTSRVYOYSIDTIV-UHFFFAOYSA-N 351.635 4.107 0 1 FIAF Cc1cc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2cc1C 587245256 RQUQQGISASILBE-UHFFFAOYSA-N 360.417 4.319 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OC)cc1Cl)[C@@H](C2)C3=O 587423262 UQNWRUVUNVFLFD-BBATYDOGSA-N 365.212 4.499 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2ccc(O)cc21 587479657 IRBZYVKZTUEUEU-JOCHJYFZSA-N 368.429 4.472 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536015 QHWCOJVNOHXNFP-QFIPXVFZSA-N 350.414 4.217 0 1 FIAF Cc1ccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc2c1 587584896 BNTUIQYVGTZSKU-UGKGYDQZSA-N 372.380 4.051 0 1 FIAF Cc1cccn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 587585776 GCTGCUQTDSDRIQ-WIYYLYMNSA-N 372.380 4.051 0 1 FIAF CC[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619038 QHVBEFZBYLTNAM-KXBFYZLASA-N 353.399 4.116 0 1 FIAF CCOC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1NC(=O)OC(C)(C)C 587631162 IERKAKJHCIZBPB-UHFFFAOYSA-N 370.808 4.413 0 1 FIAF CC(C)c1ccc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651605 BNNHXXJMBZSXRQ-ZDUSSCGKSA-N 370.836 4.281 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cncc(F)c2)N1 587737096 YEBYEBZDAVIGLJ-MEBBXXQBSA-N 367.237 4.330 0 1 FIAF CC(C)c1nc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 587771109 BKXBBMPFKXBJIG-DYZYQPBXSA-N 367.262 4.497 0 1 FIAF COc1ccc(C=O)c(-c2nc3c(C(F)(F)F)cccc3[nH]2)c1OC 587786141 IMPLFLMXJAQKDP-UHFFFAOYSA-N 350.296 4.078 0 1 FIAF CCOC(=O)CCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800488 YABDZKSHFIKXSZ-APPDUMDISA-N 372.278 4.071 0 1 FIAF CO[C@]1(C)C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587809622 IWYFXAYDDMJMSI-HKJPBSJPSA-N 356.279 4.153 0 1 FIAF CC[C@]1(c2nccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587851097 AEPRWFBITGKQCI-PSLIRLAXSA-N 355.276 4.233 0 1 FIAF N=c1[nH]c2nc(/C=C\c3ccccc3Oc3ccccc3)nc-2c(Cl)[nH]1 587949228 CCSJXCOVMAXXAC-KHPPLWFESA-N 363.808 4.333 0 1 FIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)c(F)cc4[nH]1)(C3)C2 587968513 DXWZBNSCGUAADM-JIIRDLKHSA-N 363.230 4.111 0 1 FIAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1cc(F)cc(F)c1 653697720 XOKHFGLJRCNHIO-UHFFFAOYSA-N 352.340 4.303 0 1 FIAF CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2c1C 1772624897 CUUPDORCHQITHA-UHFFFAOYSA-N 373.430 4.027 0 1 FIAF COc1cc(-c2c[nH]nc2C)ccc1C(=O)NCc1c(F)cccc1Cl 1772631028 DXSRSGFNZLPAGW-UHFFFAOYSA-N 373.815 4.116 0 1 FIAF CSc1ccccc1-c1cc(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)no1 1772638008 IOONEXZLWOJTKL-VKFLQFAXSA-N 370.518 4.237 0 1 FIAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)[C@@H](O)CC(=O)CCC=C2 1857621818 CNAMIVOGPWSYFZ-KRWDZBQOSA-N 370.401 4.001 0 1 FIAF COC(=O)[C@H](C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C(=O)OC)CCC[C@@]21C 2356421394 IKWAALBTQGUXKJ-HNJCYKICSA-N 358.478 4.146 0 1 FIAF C[C@H](O)[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356639067 CPDJBCSZDAPYNC-WFSZCQGXSA-N 361.570 4.135 0 1 FIAF C/C=C/C[C@H](C)C[C@@]1(C)Oc2c(-c3ccc(O)cc3)cnc(O)c2[C@@H]1O 2382261590 YEPWHNWXZSEUJV-ONLAFKMBSA-N 355.434 4.337 0 1 FIAF O=C1c2ccccc2[C@H](Nc2ccc3c(c2)OCCO3)N1Cc1ccccc1 4960480 FSNCVOSWFWHNFL-JOCHJYFZSA-N 372.424 4.225 0 3 FIAF Cn1c(NCc2ccccc2F)nc2cc(-c3ccccc3)sc2c1=O 61895811 DUDDZTWQYMIMEJ-UHFFFAOYSA-N 365.433 4.413 0 3 FIAF COc1ccc([C@@](C)(O)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 61908343 KXDHQAGDPSQGHJ-HXUWFJFHSA-N 371.458 4.092 0 3 FIAF S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1 606020 DLTRNVQWBIAUOE-UHFFFAOYSA-N 353.535 4.275 0 1 FIAF Cc1ccc(N2C[C@H](c3nnc(Cc4ccc(Cl)cc4)o3)CC2=O)cc1 6823037 SGAGIGMXQVAREG-OAHLLOKOSA-N 367.836 4.143 0 1 FIAF O=C1Cc2ccccc2N1C1CCN([C@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 13561287 UXEWRPZUKRZGHB-XJABCFGWSA-N 352.522 4.399 0 1 FIAF Cc1ccc(-c2nc3ccc(-c4nc5cc(C(N)=O)ccc5[nH]4)cc3[nH]2)cc1 13652031 WJDRXTZEFZNQTG-UHFFFAOYSA-N 367.412 4.181 0 1 FIAF CCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccccc1C 13742262 RTWAELYJYRTBLQ-UHFFFAOYSA-N 350.418 4.251 0 1 FIAF COc1cc(C[C@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)cc2c1OCO2 14646464 AUXKXHAVSAUIQX-KBPBESRZSA-N 356.418 4.210 0 1 FIAF biogenic Cc1noc2c1[C@@H](c1ccc(N(C)C)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 17511635 CORQTGWNVYPLKB-RTBURBONSA-N 351.450 4.272 0 1 FIAF Cc1ccc([C@@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3)O2)cc1 28766075 KKNGDXTXRQOVRK-PMACEKPBSA-N 354.837 4.486 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cc2c[nH]c3cc(F)ccc23)c(C)c1 28820806 YRWDQTHLIAPQKR-OAHLLOKOSA-N 374.481 4.142 0 1 FIAF Nc1ccccc1NC(=O)c1ccc(C[C@@H]2COc3ccccc3C2)cc1 28826560 COJSUOYKFQWDMR-KRWDZBQOSA-N 358.441 4.315 0 1 FIAF in-vivo CCC[C@@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 29468977 ASRGIKPNODZIHT-LDLZHSJESA-N 367.533 4.456 0 1 FIAF CC[C@@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(OC)cc42)[C@@H]13 29476591 BQLQSIRUAFRJJC-GMWXCSQMSA-N 367.533 4.369 0 1 FIAF CCCCN(C(=O)c1ccccc1C)c1nnc(-c2cccnc2)s1 84605255 ACERZXQPHJZKLO-UHFFFAOYSA-N 352.463 4.355 0 1 FIAF COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=C[C@H](O)[C@@H]1C(C)(C)CCC[C@@]12C 85694490 ZEXMQNFNHJUMOQ-ZPMJSYDFSA-N 350.499 4.011 0 1 FIAF O=C(Cc1cccc(Cl)c1Cl)N1CCCC[C@H]1CN1CCCC1 136162524 NIOPFEXMUHPPFY-HNNXBMFYSA-N 355.309 4.013 0 1 FIAF investigational N[C@H]1CCC[C@H](c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205247048 NCUPLGKFMQIZFI-HOCLYGCPSA-N 370.460 4.067 0 1 FIAF COc1cc(OC)cc(C(=O)Nc2ccc(-c3cccnc3)cc2F)c1 299833031 NBXJITLZOSCWAI-UHFFFAOYSA-N 352.365 4.157 0 1 FIAF Fc1cc(Br)cc([C@@H]2C[C@@H](c3ccccc3)N3NN=NC3=N2)c1 473249901 YTLPDXKPGXINAV-GJZGRUSLSA-N 374.217 4.318 0 1 FIAF Cc1nc(-c2c[nH]cc2-c2nc3c(C)c(Br)cnc3[nH]2)cs1 587021320 KVFOSFVLANUEQV-UHFFFAOYSA-N 374.267 4.456 0 1 FIAF COc1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587075668 GTXSWTHFJVVOEN-UHFFFAOYSA-N 354.797 4.060 0 1 FIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cnc3ccccc3c2[nH]1 587079247 IDWYNPIMBOYEMM-HNNXBMFYSA-N 361.836 4.488 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2c(C)ccc(C)c2[nH]1)C(F)(F)F 587093033 QMZRAUKMUYVMLO-SFHVURJKSA-N 363.383 4.343 0 1 FIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(F)(F)F 587382372 PFIPXJWPQOWHSP-INIZCTEOSA-N 351.324 4.311 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CCC1)([C@@H](C)C(=O)OC(C)(C)C)O2 587399256 HTLJOLUINJZDMK-ZSEKCTLFSA-N 359.466 4.059 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1C)[C@@H](C2)C3=O 587412669 JQUOFLLCAAFGNE-KSSFIOAISA-N 359.219 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C(C)=O)(c1cccc(Cl)c1)CC2=O 587463561 VRLYAAQNJYLPCA-HXUWFJFHSA-N 358.821 4.448 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccn1)C1CC1 587589653 WOJAHEJMHHMAPI-NFBKMPQASA-N 373.408 4.140 0 1 FIAF CCC[C@H](O)[C@@]1(CCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587828770 VGFNDIFHKWCQQG-GOPGUHFVSA-N 358.295 4.279 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2)N1 587835460 WXGAAAWBRUHJIG-QGHHPUGFSA-N 350.231 4.092 0 1 FIAF C[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C[C@]12NC[C@@H]1CC(=O)N(C)c3cccc2c31 963029196 POOKGXJUZYDWEF-MKOIYHQDSA-N 350.506 4.027 0 1 FIAF CCc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)o1 963199133 WCOCFKGTDXGMQI-DZGCQCFKSA-N 373.758 4.203 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]2(c1ccsc1N)C(C)(C)C 963269066 FCRHGGFTYKDSJL-GOSISDBHSA-N 350.915 4.428 0 1 FIAF CCOC(=O)c1noc2c1C[C@]1(C)c3cc(OC)ccc3CC[C@H]1C2(C)C 1772600315 YEEKPBIYVWFBTQ-HTAPYJJXSA-N 369.461 4.214 0 1 FIAF Nc1ccc(-c2cc(N[C@H]3CCCCNC3)c3ccncc3c2)c(F)c1F 1911575853 JNMLDKWKCOQEAF-HNNXBMFYSA-N 368.431 4.316 0 1 FIAF COc1cc2c(c3c1OCO3)C(c1ccc3c(c1)OCO3)=C(C)[C@@H](C)C2 2356741178 RJQPRSOOXLYPSN-NSHDSACASA-N 352.386 4.167 0 1 FIAF CCO[C@@H]1C[C@@H](c2ccc3c(c2)C(=O)C[C@](C)(O)C3)c2c(OC)cccc21 2356854780 RSHNJIADZFGREQ-QTGUNEKASA-N 366.457 4.188 0 1 FIAF COc1cccc(Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)n1 61907421 VURQKWKTRGZBJA-CYBMUJFWSA-N 360.870 4.186 0 3 FIAF CCCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2cccnc2)s1 4881740 MANHLTBAQMSMGL-UHFFFAOYSA-N 352.463 4.355 0 1 FIAF CS(=O)(=O)Nn1c(-c2ccccc2)c2c(c1-c1ccccc1)CCCC2 13835366 KTDUKAXOEWHEQX-UHFFFAOYSA-N 366.486 4.204 0 1 FIAF COc1cccc(-c2noc3c2CN(Cc2csc(C(C)=O)c2)CC3)c1 20516081 AVZCKSSBQFMVJO-UHFFFAOYSA-N 368.458 4.173 0 1 FIAF Fc1ccccc1Nc1nccc(Nc2c(Cl)ccc3c2OCO3)n1 29042526 PGWONMQJDLBWPO-UHFFFAOYSA-N 358.760 4.485 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4cc(F)c(F)cc4[nH]3)n2C)cc1 30789151 ITGBFCQZKTZNKJ-UHFFFAOYSA-N 371.416 4.237 0 1 FIAF COc1cc2c(cc1OC)C(=O)C[C@@H](c1ccc(N3CCCC3)cc1)O2 45391338 JSBJMCJJTCDOLI-SFHVURJKSA-N 353.418 4.011 0 1 FIAF CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3F)c2=O)c1 64527319 YZDHYHHXMJHWQX-UHFFFAOYSA-N 365.408 4.242 0 1 FIAF CC(C)c1cc(-c2ccc3c(c2)NC(=O)CO3)n(-c2ccc(F)cc2)n1 82152157 ORHAOHGQPYSCOL-UHFFFAOYSA-N 351.381 4.133 0 1 FIAF CCCOCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccco2)n1 82165259 AIGSLCTYEWXNNV-UHFFFAOYSA-N 356.426 4.237 0 1 FIAF COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2F)n1 82175113 DQCXYMZLWJMTJV-UHFFFAOYSA-N 356.401 4.003 0 1 FIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C(=O)OC)[C@@]2(C)CCc1ccoc1 85669381 UKLZKUFVLXPLCP-GMQQQROESA-N 374.477 4.317 0 1 FIAF biogenic COc1ncccc1-c1cccn2nc(Nc3ccc4ncccc4c3)nc12 96169779 RALVZYWWPRJVFS-UHFFFAOYSA-N 368.400 4.092 0 1 FIAF COc1cc(/C=C/C(=O)O)cc2cc(-c3ccc(F)c(N(C)C)c3)oc12 96934920 MOYZGCJBCZXMHL-QPJJXVBHSA-N 355.365 4.411 0 1 FIAF O=C1C[C@H](C2c3ccccc3-c3ccccc32)C(=O)N1Cc1ccccc1 102220753 GQFOVHGSNFFZOX-OAQYLSRUSA-N 353.421 4.374 0 1 FIAF CC(=O)c1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 587023001 HSBOTNRWVUQDNS-UHFFFAOYSA-N 358.423 4.236 0 1 FIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587068648 AMDSRZGXNAVVLQ-SECBINFHSA-N 356.203 4.433 0 1 FIAF CNc1c(F)cccc1-c1nc2ccc(I)cc2[nH]1 587136352 YOSOYTRKPCYXKM-UHFFFAOYSA-N 367.165 4.015 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)ncc4ccccc14)[C@@H](C2)C3=O 587418937 FHXOVKWDLKLGHR-IFXJQAMLSA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccc1F)[C@@H](C2)C3=O 587422827 UYQKVMOWCDBBNK-SJCJKPOMSA-N 352.283 4.342 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCNc4cc(Cl)ccc41)[C@@H](C2)C3=O 587423057 SXBWWYCSDCRIIW-YWZLYKJASA-N 355.821 4.197 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cc4ccccc4)ccc1O)[C@@H](C2)C3=O 587449154 HXHPESKEQQOLSV-CYFREDJKSA-N 372.420 4.480 0 1 FIAF CCC[C@@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587523135 GOCWVPLDBYERHJ-NRFANRHFSA-N 353.418 4.253 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1F 587558690 SVPYVGLVCGNRLH-FXAWDEMLSA-N 354.308 4.373 0 1 FIAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)s1 587648957 DSWHBEDTQMHMNW-UHFFFAOYSA-N 369.414 4.110 0 1 FIAF COc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(OC)c1C 587787848 PKXYGGUQPZYYKB-UHFFFAOYSA-N 374.444 4.387 0 1 FIAF CCc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587850940 GQUBXGCLELIPQE-GLEZIHRCSA-N 355.276 4.231 0 1 FIAF CCc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587856201 WSBCWIVFIGKHRY-RMLUDKJBSA-N 355.276 4.231 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@H]2c1c[nH]nc1-c1ccc(C)cc1 963269378 IVYNEAPUQGPQMJ-FQEVSTJZSA-N 353.853 4.282 0 1 FIAF CNC(=O)c1cc(Oc2c(C)cc(-c3noc(C(C)C)n3)cc2C)ccn1 1857647218 UAHHWNAURYQQNC-UHFFFAOYSA-N 366.421 4.024 0 1 FIAF COc1ccc([C@@H]2C[C@](C)(OC)Oc3c2c(=O)oc2ccccc32)cc1 1857746914 UHDUKYUECUHRSM-HRAATJIYSA-N 352.386 4.079 0 1 FIAF Fc1cccc(F)c1COc1cccc2o[nH]c(=Nc3cccnc3)c12 1857754661 YQXUCWSLBKCTPI-UHFFFAOYSA-N 353.328 4.246 0 1 FIAF COc1cc(-c2nc3sc(-c4ccccc4)cn3n2)cc(OC)c1OC 1857774172 RRCJUEYHZHBWFC-UHFFFAOYSA-N 367.430 4.151 0 1 FIAF CCOc1ccc([C@@H]2CC(CCN(C)C)=NN2c2ccccc2)cc1OC 2356449120 BENJBBKRAAJPNF-FQEVSTJZSA-N 367.493 4.353 0 1 FIAF O=C(O)CCC=CCC=CCC=CC=C[C@@H](O)CC=CCC=CCCO 2356489219 OIAXNIJCPGIEPH-OAQYLSRUSA-N 360.494 4.492 0 1 FIAF COCc1cccc(-c2csc([C@@](C)(O)c3cccc(OC)c3)n2)c1 61926917 OWBPPGYPDAVVTR-FQEVSTJZSA-N 355.459 4.221 0 3 FIAF C[C@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2ccco2)nc2ccccc21 95566572 FWFPEWOIFMONTB-CYBMUJFWSA-N 356.385 4.142 0 3 FIAF CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N[C@H]1CCCc2ccccc21 6797107 BDJOIPMKECXLJN-IBGZPJMESA-N 366.486 4.135 0 1 FIAF O=C(CN1CCN(c2ccccc2)CC1)N(c1ccccc1)c1ccccc1 21265818 NLHYXHCWLLDKEB-UHFFFAOYSA-N 371.484 4.174 0 1 FIAF CC/C=C/c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)n1 26287697 CGUZOYFGHICCSV-XBXARRHUSA-N 352.459 4.366 0 1 FIAF CN1CCN(C2=Nc3cc(Cl)c(Cl)cc3Nc3cscc32)CC1 27997802 VQNLBQFQWMZKEU-UHFFFAOYSA-N 367.305 4.438 0 1 FIAF O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(F)cc2)cc1 28383232 MSJWCCHOETUGFO-HSZRJFAPSA-N 374.459 4.497 0 1 FIAF CC(C)(C)c1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 29489174 KJZAMEYVYDSKPN-UHFFFAOYSA-N 361.489 4.042 0 1 FIAF CCN(CC)Cc1ccc(C[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40898886 PZRWNXAFVGCYDT-LJQANCHMSA-N 367.489 4.143 0 1 FIAF Cc1cc(C)nc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)n1 40899226 HLQIMRYWOGQPAW-ZVQXUQNISA-N 357.523 4.106 0 1 FIAF NC(=O)c1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccccc3O)n2)cc1 43020255 ALIHIDLGACQRAO-UHFFFAOYSA-N 373.387 4.150 0 1 FIAF CC(C)CCN1CCN([C@@H](CNCc2ccccc2)C(C)C)C[C@H]1C(C)C 45261847 HBWOTJZPLCDEDR-ZEQRLZLVSA-N 373.629 4.489 0 1 FIAF COc1ccc(Oc2cc(NCCc3ccccn3)ncn2)c2ccccc12 82067767 NBOKLVRLLIYOPZ-UHFFFAOYSA-N 372.428 4.480 0 1 FIAF COc1ccc(-c2cc(Cn3cncn3)c3ccc4[nH]ccc4c3n2)cc1 96285998 ZOVMLGBTXVPKFU-UHFFFAOYSA-N 355.401 4.032 0 1 FIAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccccc1 143163618 GHXUGFVKIDRBGU-UHFFFAOYSA-N 374.318 4.438 0 1 FIAF CN1c2ccc(F)cc2[C@H]2CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]21 169328971 FUMBIIQHKBGTGW-CTNGQTDRSA-N 370.443 4.236 0 1 FIAF CC(C)C1=CC[C@@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3)[C@@H](C(=O)O)C[C@]42CN(C)C1 238761721 SHYGGXWYZBUGDF-OYHXWRSMSA-N 371.521 4.086 0 1 FIAF N=c1[nH][nH]c2cccc(-c3cccc(NC(=O)Nc4ccc(F)cc4)c3)c12 473153047 XPKJNIVSAVXPHE-UHFFFAOYSA-N 361.380 4.426 0 1 FIAF C[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1C(F)(F)F 587098696 SJIHXHHJBGVUFW-SSDOTTSWSA-N 360.261 4.494 0 1 FIAF CC[C@]1([C@@H]2CCCNC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346326 MAFFDIQSGVMMDA-RBQRDFNRSA-N 369.436 4.039 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3cccc(Cl)c3)c1)O2 587378335 NQWDNVOZTSJLIH-FQEVSTJZSA-N 367.836 4.297 0 1 FIAF CCCCOc1c(OC)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441798 MVTXTORLTHZUMM-IIBYNOLFSA-N 368.429 4.371 0 1 FIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(OC(=O)c2ccccc2)C1 587477664 IBSPJVGYRYGPRH-UHFFFAOYSA-N 366.413 4.068 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(F)c1O 587555194 FUTVCVCOJQAAFH-OXQOHEQNSA-N 370.307 4.079 0 1 FIAF C[C@]1(c2ccc3nc[nH]c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586687 CSULYIFTSSGDPV-SIKLNZKXSA-N 372.380 4.146 0 1 FIAF CC(C)c1nc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)co1 587588903 VFEZBMRZCDJHCH-DYESRHJHSA-N 365.385 4.381 0 1 FIAF COc1ccc2[nH]c(C)c(Cc3c(C)[nH]c4cccc(F)c34)c(=O)c2c1 587636821 KBGNSJXEQDSPTN-UHFFFAOYSA-N 350.393 4.365 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(C(C)(C)C)N1 587742163 QGKBDIHCBUSTDD-PLAVVLRSSA-N 369.322 4.439 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(Cl)ccn1 587869026 XTZDOIPXZNEXKN-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF NC(=O)N1CCc2sccc2[C@@]12CCc1cc(Cl)cc(Cl)c12 962701421 APOBEPGNLJKDRQ-MRXNPFEDSA-N 353.274 4.182 0 1 FIAF Cc1ccnc2c1CCN[C@@]2(CC(=O)c1cc2ccccc2o1)C(F)(F)F 963073431 PXSCIMMBPRWGIP-LJQANCHMSA-N 374.362 4.313 0 1 FIAF COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)cc(O)n2)c(OC)c1 1857584635 HXONIBBPONTGLL-UHFFFAOYSA-N 367.401 4.156 0 1 FIAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CNC(C)C)C=C3C)[nH]c2n1 2356559452 DBDBZDUDXMZOSU-RCCFBDPRSA-N 370.541 4.362 0 1 FIAF CC=C(C)C(=O)O[C@@H]1c2occ(C)c2[C@]2(C)OC(=O)[C@@H]3CCC[C@@H]1[C@]32C 2356681580 YVCVHGRNXPPDDG-WAQIHRDZSA-N 358.434 4.347 0 1 FIAF Cc1ccc(-c2nc(CN(Cc3c(C)nn(C)c3C)C(C)C)c(C)o2)o1 11874044 LOJSURQQIVTLNL-UHFFFAOYSA-N 356.470 4.312 0 3 FIAF Cc1csc2nc(Cc3ccc(C(=O)c4ccccc4)cc3)oc(=O)c12 6523545 YKXBRNSTEOUHDR-UHFFFAOYSA-N 361.422 4.380 0 1 FIAF CCCCC[C@H](O)CCCCC[C@H]1Cc2cc(OC)cc(O)c2C(=O)O1 13460214 LYFHIUXSMZPGHC-IRXDYDNUSA-N 364.482 4.374 0 1 FIAF biogenic CCCc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1 13676106 BDERYSXUUIVLID-UHFFFAOYSA-N 364.474 4.014 0 1 FIAF C[C@@H](CN1CCN(C)CC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 20036588 CANAZJNIVKIFED-KRWDZBQOSA-N 374.569 4.074 0 1 FIAF C[C@@H](NCCN(C)C)[C@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 22950398 OQLPSYJNZRYLOQ-RLXOIXJTSA-N 370.581 4.404 0 1 FIAF O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1CO 26671650 FJXQSZCNFZVKCJ-UHFFFAOYSA-N 369.726 4.065 0 1 FIAF CN1CCN(C(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)o2)CC1 40938233 VVVXZWWMQARKOK-UHFFFAOYSA-N 362.429 4.127 0 1 FIAF COc1cc(-c2nnc(-c3c[nH]c4ccccc34)s2)cc(OC)c1OC 64417145 SNKXDUJDVVZRCS-UHFFFAOYSA-N 367.430 4.379 0 1 FIAF Cc1cccc2cc([C@H](C)NC3CCOCC3)n(-c3ccccc3)c(=O)c12 88345958 JZWXUZDIBDPYCG-KRWDZBQOSA-N 362.473 4.129 0 1 FIAF CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2c(C)cccc2C)C1 96917467 WMXSXVZGYVICMH-UHFFFAOYSA-N 354.498 4.256 0 1 FIAF CCN(CC)CCNc1nc2c(-c3ccccc3)cnn2c2ccccc12 96933150 ZIQRBVHMERAOTA-UHFFFAOYSA-N 359.477 4.303 0 1 FIAF O=C(Nc1cc(Cl)ccc1-c1cccc(O)c1)c1cnn2cccnc12 113653123 HXPDTTWHFUSZCB-UHFFFAOYSA-N 364.792 4.008 0 1 FIAF CC(C)[C@H]1[C@H](C)OC(=O)N1c1nc(N[C@@H](C)c2ccccc2)ncc1F 142101855 NSCULTIMGJRHQA-XEZPLFJOSA-N 358.417 4.159 0 1 FIAF C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC2(CCC(=O)CC2)OC1=O 146330926 JOIABIFBPKDVBO-LBPRGKRZSA-N 371.355 4.370 0 1 FIAF C/C=C1\c2ccc(C=O)n2[C@@H]2C[C@H]1[C@@H](C(=O)OC)c1c2[nH]c2ccccc12 238780633 LMQWGENTCNSYQP-WHFMRHSRSA-N 360.413 4.065 0 1 FIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299873731 AFNARRDFYIYFQY-OYNPSCLESA-N 372.509 4.120 0 1 FIAF Cc1cc(Br)c2[nH]c(-c3ccccc3/C=C\C(=O)O)nc2c1 586882536 XHZYLWMHDFQAEH-SREVYHEPSA-N 357.207 4.399 0 1 FIAF Cc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Br 587021333 IFQIPRIRVQNNCX-UHFFFAOYSA-N 374.267 4.158 0 1 FIAF Oc1nc(O)c2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2n1 587048363 ULLXKTGQRYLJTN-UHFFFAOYSA-N 373.199 4.405 0 1 FIAF N[C@H](Cc1nc2cccc(Br)c2[nH]1)c1ccccc1Cl 587057808 RTGAJRMEJBZEJQ-GFCCVEGCSA-N 350.647 4.221 0 1 FIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587069294 IBZOUOWDXUJPKL-LLVKDONJSA-N 369.774 4.400 0 1 FIAF Nc1ccc(-c2ccc3nc([C@@](F)(Cl)C(F)(F)F)[nH]c3c2)cc1N 587089610 FHTLEYFCUCBPNN-AWEZNQCLSA-N 358.726 4.318 0 1 FIAF CSc1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587094142 KYIHDGKBZHAVET-AWEZNQCLSA-N 373.425 4.042 0 1 FIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccnc4[nH]3)cc2F)c1 587144152 RVTYXCNJCMPDFJ-UHFFFAOYSA-N 363.348 4.138 0 1 FIAF N[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(F)cc1F 587150613 NPEXQHQNVRSCHR-LBPRGKRZSA-N 372.600 4.305 0 1 FIAF CCn1nccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343687 USNVWFGCOPBYOQ-FPOVZHCZSA-N 366.392 4.022 0 1 FIAF Cc1n[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346344 MEASEUCLNBLVTF-CTNGQTDRSA-N 366.392 4.146 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Cl)cc1Br)O2 587377602 NSLNKBRMJGSSAW-ZDUSSCGKSA-N 367.630 4.095 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3ccc(Cl)cc3c1=O)O2 587379625 JSHAFWZZHLDJPE-KRWDZBQOSA-N 355.777 4.044 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccncc1)O2 587393940 BXKNPVGFFJRVTE-NRFANRHFSA-N 360.413 4.258 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCCC3)cc1)O2 587399068 KFJQYYYEYDVKTR-QFIPXVFZSA-N 350.462 4.448 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccc1F)[C@@H](C2)C3=O 587422828 UYQKVMOWCDBBNK-YVEFUNNKSA-N 352.283 4.342 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(C)cc1OC(F)F)[C@@H](C2)C3=O 587424167 XVXOEOCHLMEQOL-LIRRHRJNSA-N 360.356 4.402 0 1 FIAF COc1cc2c3c(c1)O[C@@](COCc1ccccc1)(C(C)C)[C@@H](C2)C3=O 587443783 PQVWSEYMOGKNIP-AVRDEDQJSA-N 352.430 4.054 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1sc(OC)nc1Cl)CC2=O 587496410 XDAAFWYDKDMFAB-LBPRGKRZSA-N 353.827 4.170 0 1 FIAF Nc1cc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548259 OZLITGUVESVHJB-PXNSSMCTSA-N 367.788 4.331 0 1 FIAF Nc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575785 DIVXVWCYLQDNTJ-REWPJTCUSA-N 373.408 4.168 0 1 FIAF C[C@]1(c2cccc3[nH]ncc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592873 IAGZZRKBJADJHH-DENIHFKCSA-N 372.380 4.146 0 1 FIAF O=C(c1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658151 IJQBXICIKPYXAC-UHFFFAOYSA-N 362.335 4.030 0 1 FIAF COC1(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 587806891 BKXTZDPGWVCDCS-BZNIZROVSA-N 356.279 4.297 0 1 FIAF COc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810950 YPFQKWZELHPAPA-BBATYDOGSA-N 364.258 4.395 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(C)(C)C(=O)O)N1 587826829 JLOXAGUZDATVAJ-BTDLBPIBSA-N 372.278 4.229 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)s2)N1 587850426 YWLSKMLGKGOKKE-FVMDXXJSSA-N 369.303 4.339 0 1 FIAF CO[C@H](c1cncs1)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587856222 WWECDHSJUANVSK-UFTIBIJLSA-N 371.275 4.008 0 1 FIAF CCOC(=O)[C@@H]1C(C)=C[C@]2(C[C@H]1C(C)C)NCCc1ccc(F)c(C)c12 962298582 NCFQECSROCDZEZ-LRXVAGHRSA-N 359.485 4.277 0 1 FIAF CC(C)c1nn(C)c2c1[C@](c1cccc(F)c1)(c1ccccc1F)NCC2 962915215 URIAJDPGRPULEZ-QFIPXVFZSA-N 367.443 4.259 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1cc2cc(F)ccc2[nH]1 963613093 TYVXTAGJIADUOH-XUSGNXJCSA-N 354.425 4.122 0 1 FIAF CC[C@H](CCc1ccc(C[C@@H]2C=C(C)[C@@H](O)C[C@H]2C(C)(C)O)cc1)OC 2356352844 CLHYVNSCCZEHLX-CBPXPLCBSA-N 360.538 4.301 0 1 FIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@@H](C(=O)OC)[C@]2(C)CCc1ccoc1 12153609 UKLZKUFVLXPLCP-YHDSQAASSA-N 374.477 4.317 0 1 FIAF biogenic CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)C2CCNCC2)cc1 13814123 CKNSULFOVOHSDA-JOCHJYFZSA-N 350.506 4.300 0 1 FIAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1O 26507500 PKNCMHIFSWTLHO-ROUUACIJSA-N 368.477 4.252 0 1 FIAF Cc1cc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)nc(C)n1 28647398 VCHQXLUYFOEETB-HNNXBMFYSA-N 354.262 4.179 0 1 FIAF CN1CCN(c2ccc3nc(Cc4cccc5ccccc45)[nH]c3c2)CC1 45262113 MCABVSJBYCADRW-UHFFFAOYSA-N 356.473 4.059 0 1 FIAF COc1cc(CCCCC(=O)CCc2ccc(O)c(OC)c2)ccc1O 49053287 GEOHKKVNXDYCNZ-UHFFFAOYSA-N 358.434 4.030 0 1 FIAF biogenic COc1cc(C)c(Nc2nc(Cl)cn([C@@H](CF)C3CC3)c2=O)cc1C 95603871 NHTCDXXWOMOWIX-AWEZNQCLSA-N 365.836 4.186 0 1 FIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C[C@H]2CC[C@H]1N2C 101033913 OXDFFEQFKNRNGA-PLACYPQZSA-N 371.427 4.371 0 1 FIAF COc1ccc2c(c1)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2 140600933 SGUAQSHVUSPZSV-UHFFFAOYSA-N 374.937 4.214 0 1 FIAF Nc1nc(=O)n(CCCc2ccccc2)cc1-c1ccc(Cl)c(Cl)c1 169335261 JUEPTZWPNKENQB-UHFFFAOYSA-N 374.271 4.432 0 1 FIAF CC(C)(CN)c1nc(-c2ccncc2)c(-c2ccc3c(c2)CC[C@H]3N=O)[nH]1 169686163 OMJMHTPIOZMTTC-QGZVFWFLSA-N 361.449 4.129 0 1 FIAF NCCNc1cc(N2CCCc3ccccc3C2)nc2c(Cl)cccc12 205307666 WUPNTFDTXNIWCJ-UHFFFAOYSA-N 366.896 4.212 0 1 FIAF CCCCCC[S@](=O)C[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253683067 DXUUKSQGPDLBMH-ZPFUYMKUSA-N 370.555 4.310 0 1 FIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Cl)ncc3[nH]2)c1 586915418 MHIBIZFWGVGWGI-UHFFFAOYSA-N 365.776 4.380 0 1 FIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cnc5ccccc5c4[nH]3)cc2N1 587124770 OMSVOPIIFKRNAR-LKFCYVNXSA-N 372.354 4.282 0 1 FIAF Fc1cc(Br)cnc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587154702 CXMOUVWBMVEGFK-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF CCc1ccccc1NC(=O)c1nc2c(C)c(Br)ccc2[nH]1 587240258 BAYCIBRZOARYJD-UHFFFAOYSA-N 358.239 4.449 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(=C\N(C)C)c1cccc(Cl)c1)O2 587379565 VUDIJGJJFIZBTK-JVCXIRSZSA-N 356.853 4.167 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(Nc3cccnc3)s1)O2 587415119 XDSCWDHQODVZJJ-IBGZPJMESA-N 366.446 4.053 0 1 FIAF COc1cc2c3c(c1)O[C@@](CF)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587419655 DFEVRTGVNXSRCN-KSSFIOAISA-N 366.310 4.326 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1n(C)c1ccccc41)[C@@H](C2)C3=O 587431461 OXSCZZXXODJBSY-SBUREZEXSA-N 359.425 4.166 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1c1cncnc1)CC2=O 587487389 FLARFHDIWZCHTH-UTKZUKDTSA-N 352.434 4.197 0 1 FIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c2ccc(Cl)c1F 587507342 MDHRTFJAZWRGCS-HXUWFJFHSA-N 371.795 4.171 0 1 FIAF C[S@@](=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531575 HOXCDWFLPBPXQO-PXDATVDWSA-N 354.471 4.183 0 1 FIAF CCCCCc1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)N[C@H]1CCOC1=O 587641983 IPMFWCKMNARHOJ-LIRRHRJNSA-N 370.493 4.459 0 1 FIAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587725858 SBYOKRCSBUMQSP-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn3ccccc3n2)N1 587773801 JRZZGGDBRXXFPW-BBATYDOGSA-N 374.257 4.034 0 1 FIAF CC[C@]1(c2ncccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587773955 SRNYFOZUTCPPBC-XIKOKIGWSA-N 363.274 4.479 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cnccc23)N1 587802184 KSKJYBZYCWGBEH-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF CO[C@H](c1cncs1)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587857306 ZOMUAZGLCADSQA-UFTIBIJLSA-N 371.275 4.008 0 1 FIAF CC[C@]1(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC(=O)c2ccccc2C1 587960488 MBSGCALMHRCWGN-LEWJYISDSA-N 362.433 4.055 0 1 FIAF Cc1c(F)ccc2c1[C@@H](c1ccc(Br)c(F)c1F)NCC2 962095524 UUTRCNAJUQVETE-MRXNPFEDSA-N 356.185 4.410 0 1 FIAF Cc1ccc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)cc1C 1857596910 MUVQZBXSSIINDK-DEOSSOPVSA-N 369.468 4.210 0 1 FIAF NCCC1=C[C@H](CCCCCCCCC=C[C@H](CO)CC(=O)O)CC1 2356315762 JLZZBBJQOBMZMR-QUCCMNQESA-N 351.531 4.432 0 1 FIAF COc1cccc(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)n1 61907422 VURQKWKTRGZBJA-ZDUSSCGKSA-N 360.870 4.186 0 3 FIAF COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1ccc3ccccc3c1C2=O 5923244 VODISZCOJIVBTN-AUSIDOKSSA-N 370.408 4.354 0 1 FIAF O[C@]1(c2ccc(Cl)cc2)c2cccc(-c3ccccc3)c2C2=NCCN21 13491102 JRNGIVHBMLVCBM-JOCHJYFZSA-N 360.844 4.276 0 1 FIAF CN(C)CCNC(=O)c1cccc2c1Oc1cc(Cl)c(Cl)cc1O2 26579609 QUAUTJNPSHMSKO-UHFFFAOYSA-N 367.232 4.183 0 1 FIAF CN(C)C1(c2cccc(O)c2)CCC2(CC1)OCC(c1ccccc1)CO2 27099959 PUNWXPOLGWQLSF-UHFFFAOYSA-N 367.489 4.250 0 1 FIAF CCOC(=O)[C@]12C[C@@]1(CCc1ccccc1)c1cc(Cl)ccc1NC2=O 34821489 CPIBELMJSWEDPO-LEWJYISDSA-N 369.848 4.116 0 1 FIAF CCOc1ccccc1-c1nc(CN2CCN(C3CCCCC3)CC2)co1 72183566 PIKIYUDOLWIIRI-UHFFFAOYSA-N 369.509 4.191 0 1 FIAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC(C)C 73160295 JSFSIUHCSLHMDO-UHFFFAOYSA-N 355.221 4.437 0 1 FIAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCC2)nc1-c1ccco1 82143051 WOUADOQOGVNEOQ-UHFFFAOYSA-N 370.497 4.091 0 1 FIAF NCCC1=C[C@@H](CCCCCCCC/C=C/[C@H](CO)CC(=O)O)CC1 85489219 JLZZBBJQOBMZMR-QEKLAHBRSA-N 351.531 4.432 0 1 FIAF biogenic,in-vitro Cc1c(N(Cc2ccc(F)c(F)c2)S(C)(=O)=O)sc2ccccc12 115228747 KMTYFXUFAJVQHJ-UHFFFAOYSA-N 367.442 4.454 0 1 FIAF CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)CCCC3 142093849 QKLGQNYZGDJVHG-UHFFFAOYSA-N 362.437 4.244 0 1 FIAF c1ccc(-c2csc3ncnc(N4CCC(CN5CCC5)CC4)c23)cc1 146417354 HAKVJWZAHQLEIL-UHFFFAOYSA-N 364.518 4.280 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169358859 ZOIUUCNFVDJSJK-AYLPJJBHSA-N 374.569 4.039 0 1 FIAF NC(=O)Nc1nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1 222407894 DWYFZCRHAXAHDC-UHFFFAOYSA-N 369.513 4.277 0 1 FIAF O=C(O)c1cc(Br)cc2[nH]c(-c3cc4c(s3)CCC4)nc12 314256526 TXGHRQYRTLEDNL-UHFFFAOYSA-N 363.236 4.241 0 1 FIAF COC(=O)c1cc2[nH]c([C@@H](C)SCc3ccccc3)nc2cc1OC 586963397 MRHMFUSGEMBMBL-GFCCVEGCSA-N 356.447 4.353 0 1 FIAF CCCC(Br)(CCC)c1nc2c(S)nc(S)nc2[nH]1 586971623 VYQYSGAXJOKBON-UHFFFAOYSA-N 361.334 4.121 0 1 FIAF CSc1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 587040998 RVOYBQIUGRGOFV-ZDUSSCGKSA-N 351.497 4.267 0 1 FIAF OCc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587158705 KOMIYOZZGKPUEB-UHFFFAOYSA-N 358.376 4.200 0 1 FIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc3cn[nH]c3cc2[nH]1 587161980 AFRIIFSVONKWAL-UHFFFAOYSA-N 356.360 4.476 0 1 FIAF COC(=O)[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587361813 BSBLKLJGEXNSQX-OAHLLOKOSA-N 359.381 4.469 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1ccc(F)c(F)c1)O2 587385037 LIYIHSPXIUIABK-OAQYLSRUSA-N 366.367 4.159 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCOC)(c1ccc(F)cc1)CC2=O 587466492 LPYSHHVBPZKHBI-NRFANRHFSA-N 358.409 4.381 0 1 FIAF Cc1ccc2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 587776888 YVALUPKLVSPHRW-BBATYDOGSA-N 374.257 4.168 0 1 FIAF Cc1nc2[nH]c(COC/C=C\c3ccccc3)nc2cc1Br 587781298 SPLYVKRMIZHUDQ-YVMONPNESA-N 358.239 4.259 0 1 FIAF Cc1c[nH]c2c1[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587801251 FFWHLMKOAPBJAY-ADLMAVQZSA-N 363.274 4.339 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C2(C)CC2)N1 587815919 RGBUVOPKLTZYTF-BMLIUANNSA-N 354.263 4.097 0 1 FIAF COC(=O)c1cc2nc(-c3cccc(-c4ccc(OC)cc4)c3)[nH]c2cn1 587935550 NLFVZLBDWQSISD-UHFFFAOYSA-N 359.385 4.087 0 1 FIAF COc1ccc([C@@H]2[C@H]3C=CC=C[C@H]3C(=O)N2c2ccc3nc[nH]c3c2)cc1 1772642358 LZSCUGXGMFTCOP-WAOWUJCRSA-N 357.413 4.018 0 1 FIAF COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)COc2cnccc2-3)c1 2382247471 GKCYBFUIFHJFSO-CQSZACIVSA-N 360.413 4.141 0 1 FIAF CCCCN(C)C(=O)c1c(C)nn(-c2ccc(C)cc2)c1-n1cccc1 6939792 HCKFMRZMTSWAKH-UHFFFAOYSA-N 350.466 4.152 0 1 FIAF O=C(COc1ccc(Cl)cc1[C@@H](O)c1ccccc1)Nc1ccccc1 13741303 OPUNLYMXTLKIOB-NRFANRHFSA-N 367.832 4.439 0 1 FIAF C/C=C/CCCCC/C=C/C=C\C(=O)OC[C@H](CO)OC(=O)C=C(C)C 14825511 CKQLGVTXGIJASM-YYSPPHIWSA-N 364.482 4.039 0 1 FIAF N=C(CCc1ccc(Cc2c[nH]cn2)cc1)NCc1ccc(Cl)cc1 26383102 VKLYSWIHCLFRGU-UHFFFAOYSA-N 352.869 4.354 0 1 FIAF FCCCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1 29133528 XWFSWRARAVLBFN-ICSRJNTNSA-N 361.482 4.247 0 1 FIAF CCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 45369876 TXFWUXRACNGVFA-UHFFFAOYSA-N 353.205 4.354 0 1 FIAF CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2F)s1 73161290 PTACXVYOXGWZKS-UHFFFAOYSA-N 357.406 4.238 0 1 FIAF O[C@H](c1cccs1)c1nnc(Nc2cccc(C(F)(F)F)c2)s1 82078271 MLCMQQYHVPGNJU-LLVKDONJSA-N 357.382 4.444 0 1 FIAF COc1cccc(CNc2nc(C)cc(-c3cccc(CN(C)C)c3)n2)c1 84730428 BYHVCVHKKYBVKH-UHFFFAOYSA-N 362.477 4.134 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1c(Cl)cccc1Cl 100025673 CLSOASHIJIDNLA-JORMNFRLSA-N 370.232 4.415 0 1 FIAF CCCCN(CCCC)CCn1cnc2c3cc(C)ccc3nc-2c1O 103904177 SWJKYFWWISPPQB-UHFFFAOYSA-N 354.498 4.452 0 1 FIAF O=C1[C@H]2[C@@H]3S[C@H](c4ccc5ccccc5c43)[C@H]2C(=O)N1c1ccccc1 138354489 ZFPGOEXUFNQOHD-MTQWCTHYSA-N 357.434 4.488 0 1 FIAF CCCCn1c(=O)c2c(c3cc(C(=O)NCCC)ccc31)CCCCC2 169328424 YKQRVFWDRHVJEI-UHFFFAOYSA-N 354.494 4.210 0 1 FIAF O=N[C@H]1CCc2cc(-c3cn([C@@H]4CCC[C@H]4O)nc3-c3ccncc3)ccc21 169686103 KWDGJDFHCLCZOX-PWRODBHTSA-N 374.444 4.452 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc([C@](C)(O)C(C)C)[nH]c3c2)cc1 586887930 JUWSYULTFKANIM-HXUWFJFHSA-N 354.406 4.005 0 1 FIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587070722 VTQQNCUFUUHPLS-SECBINFHSA-N 360.772 4.430 0 1 FIAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc3c(cc2[nH]1)OCO3 587077080 QKSULYPDWGZQRQ-UHFFFAOYSA-N 365.776 4.380 0 1 FIAF O=C(O)C1CCN(c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)CC1 587212383 OPCXXZFKPIMYJH-UHFFFAOYSA-N 358.441 4.301 0 1 FIAF Oc1ccc(Nc2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)cc1 587242443 LQZISCAWGHIERV-UHFFFAOYSA-N 357.373 4.261 0 1 FIAF CC[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357005 LZRBEOFUIPWGCG-LKUPVBHCSA-N 356.393 4.218 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(Br)cc31)O2 587371627 LQQUZPFCEVEGFQ-GOSISDBHSA-N 358.235 4.147 0 1 FIAF CCOc1nc2ccccc2cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436562 REFDVAACVCRVJY-VFNWGFHPSA-N 361.397 4.131 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C)ccc1OCC1CC1)[C@@H](C2)C3=O 587444179 SBCHSIBIQGZVIC-HTAPYJJXSA-N 350.414 4.281 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)NCC)CC2=O 587472149 XPFIRGABSJFALJ-QRQCRPRQSA-N 353.462 4.203 0 1 FIAF COc1ccc2c(c1)nc([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)n2C 587515330 KQASJGUWTJZDEF-HXUWFJFHSA-N 362.429 4.167 0 1 FIAF Cc1ccc2c(c1)OC[C@]1(CO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536047 QVAGDFOZAMUWQH-JOCHJYFZSA-N 350.414 4.049 0 1 FIAF CCN(/C=C(\F)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)CC 587708102 XVULHYRRAHWQBA-YCWKFPDQSA-N 359.258 4.316 0 1 FIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587772800 WZDIDMGHDIJKNL-ZMZPIMSZSA-N 363.274 4.398 0 1 FIAF CCOc1ccnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587773889 RWVCXWJMCCBGEZ-BTDLBPIBSA-N 365.246 4.006 0 1 FIAF COCCC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 587793567 NPNZDDRMASKUHY-MEDUHNTESA-N 356.279 4.370 0 1 FIAF CC[C@H](C)OC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796309 UAYWKRZWGIUHLA-DINDLPBHSA-N 372.278 4.069 0 1 FIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O 587823729 VYOWOCDONLDIPB-ADLMAVQZSA-N 364.258 4.400 0 1 FIAF COC(=O)Cc1ccc(Nc2ccccc2-c2ccccc2)c2nonc12 1857587008 KCGMHKDDNHSWAU-UHFFFAOYSA-N 359.385 4.349 0 1 FIAF COc1ccc(-c2ccc(COC3(C4CC4)CN(C#N)C3)c(F)c2)cc1F 1911570906 UQNAYFXNZPLVNU-UHFFFAOYSA-N 370.399 4.102 0 1 FIAF C[C@H]1CC[C@H]2CC3=C(C(=O)O)CC[C@]31[C@]2(C)CNC(=N)NC1CCCCC1 2356360342 DKLWFBLWXKNSOB-ZYNNUQKQSA-N 373.541 4.051 0 1 FIAF COc1cc([C@H](C[C@H](C)[C@H](C)CO)c2ccc(OC)c(OC)c2)ccc1O 2356394956 IIOUDXQFBYWNMG-DAYGRLMNSA-N 374.477 4.205 0 1 FIAF CC1(C)CCC(C)(C)c2cc(C(=O)N3CCC[C@@](C)(C(=O)O)C3)ccc21 61898402 WPOAYZOFWGBLHI-JOCHJYFZSA-N 357.494 4.363 0 3 FIAF CSc1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528616 LBGUOUZNDJKAIJ-UHFFFAOYSA-N 372.467 4.099 0 1 FIAF COC(=O)C[C@@H]1Oc2ccccc2-n2cc(-c3ccc(Cl)cc3)nc21 13828440 FSOALHYQKWHNFI-KRWDZBQOSA-N 354.793 4.189 0 1 FIAF COc1cccc2c1Sc1ccc(Cl)cc1C[C@@H]2N1CCNCC1 22459484 MCIDIYXTIHXJAI-INIZCTEOSA-N 360.910 4.002 0 1 FIAF CCSC[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954271 KZYNYNVUUWUYNT-NSHDSACASA-N 359.200 4.373 0 1 FIAF O=C(c1cccc2cc(OCCCN3CCCCC3)ccc12)N1CCCC1 40917042 BYQRAKGZIMDCRQ-UHFFFAOYSA-N 366.505 4.331 0 1 FIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1 43204902 WRBZABSLXIGYJG-DYESRHJHSA-N 355.526 4.268 0 1 FIAF c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)cc1 66157246 JAGXFLAQIMBCOF-UHFFFAOYSA-N 359.458 4.076 0 1 FIAF O=C1CCCCCC/C=C\CCOC(=O)c2c(O)cc(O)c(Cl)c2C1 70462975 FXPBSMNWWFATLN-XQRVVYSFSA-N 366.841 4.320 0 1 FIAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 82141881 GZYIUJVKAYRQAL-DOTOQJQBSA-N 368.481 4.035 0 1 FIAF COc1cccc(F)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc2ccccc2n1 167144239 PQPRPIGDFBVOQJ-IFXJQAMLSA-N 364.420 4.492 0 1 FIAF C[C@H](CF)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N(C)C2 169334415 ZSLWUVZDXDAKIP-SASKPELWSA-N 353.865 4.055 0 1 FIAF C[C@@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2c1 205843774 SGUZXWKWTMWMCR-GFCCVEGCSA-N 359.437 4.475 0 1 FIAF CC(=O)O[C@H]1C[C@H](C)[C@@]2(C)C[C@@]3(c4ccoc4)OC[C@@]14C(C)=CCC[C@]42O3 238739281 FZQSAOXOUTXHTL-UGCMYUGTSA-N 372.461 4.326 0 1 FIAF CN=c1[nH]c(C)c(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)s1 473127977 XJDCRPZQRKBMFZ-GOSISDBHSA-N 366.465 4.410 0 1 FIAF O=C(Nc1ccc(SC[C@H]2CCCN3CCCC[C@H]23)nc1)c1ccco1 504132124 CGAHYFYWVIGNKW-NVXWUHKLSA-N 371.506 4.284 0 1 FIAF biogenic Cc1c(Br)cnc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc12 586883243 AFRATFDVFXWRGQ-FZKQIMNGSA-N 354.251 4.400 0 1 FIAF CC(=O)N[C@H](Cc1nc2ccc(C)cc2[nH]1)c1ccc(Br)cc1 586984760 ITCYOLGMPZCVGQ-MRXNPFEDSA-N 372.266 4.054 0 1 FIAF Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c1 586987569 ONEAWQVAWKZFDN-UHFFFAOYSA-N 354.365 4.107 0 1 FIAF COC(=O)c1cc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2cc1OC 587024147 WVJYYLGHPBJFPZ-UHFFFAOYSA-N 365.414 4.149 0 1 FIAF CCOC(=O)[C@@H]1[C@@H]2Cc3nc4c(C)ccc5c4c(c3[C@H]21)-c1ccccc1C5=O 587097614 MQZINFRTSNLQNV-XFQXTVEOSA-N 369.420 4.203 0 1 FIAF COC(=O)C[C@@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587098362 QNUMLVPOPFITPI-ZDUSSCGKSA-N 357.409 4.348 0 1 FIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(S)nc(S)nc2[nH]1 587112271 FJLYWBAYJDOWJL-ZETCQYMHSA-N 370.425 4.295 0 1 FIAF Fc1ccccc1-c1cccc(-c2nc3c(S)nc(S)nc3[nH]2)c1 587152694 DAYKFKDVPSYPMK-UHFFFAOYSA-N 354.435 4.403 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(Cc4ccco4)c1C)[C@@H](C2)C3=O 587431418 OMNYTESRIWNZET-PGRDOPGGSA-N 363.413 4.244 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(SC)c(OC)c1)[C@@H](C2)C3=O 587454218 XHRYLNGDWDLUPR-VBKZILBWSA-N 356.443 4.089 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(C)cc1OC)CC2=O 587483058 UHAFNIMHOMPKHQ-HXUWFJFHSA-N 356.418 4.377 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(SC)ncc31)CC2=O 587492444 PHWLYXFYGNKLEB-FQEVSTJZSA-N 370.474 4.054 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(O)cc1F 587557417 NIDYACUCAXTKQW-YLJYHZDGSA-N 370.307 4.079 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ncc2F)N1 587732378 MDBTXFKNRHNNBD-MLXNANBUSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(F)c32)N1 587738221 LOKHVYUBNLIIGI-MLCYQJTMSA-N 364.233 4.451 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(C2CC2)N1 587769526 GOIWDCVBNUDNOR-VOJFVSQTSA-N 361.258 4.171 0 1 FIAF CC(C)[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774270 VFUQTSNKVYOERS-SGTLLEGYSA-N 363.274 4.417 0 1 FIAF CC(C)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 587793783 LDJNCFSZWDBMOC-XXFAHNHDSA-N 352.251 4.058 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC2CCOCC2)N1 587831870 AJGZBHZAFBFDQS-DIFFPNOSSA-N 356.279 4.154 0 1 FIAF CC[C@@]1(c2cccc(O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587833259 MQJLLRFRKLZJKX-VOJFVSQTSA-N 364.258 4.482 0 1 FIAF CC[C@@H]1C[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCO1 587835675 XLLRCNXQQZZGJE-MDCUPZMDSA-N 356.279 4.369 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@@H]1CCCC[C@H]1C 587872754 PXFTWXAWRJJUDH-CZUORRHYSA-N 361.486 4.389 0 1 FIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Br)c(C)nc2[nH]1 587930323 OBQZUBLLPAHYPC-SGTLLEGYSA-N 372.266 4.483 0 1 FIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(C)c(Br)cnc2[nH]1 587930359 OSXZRIVNMZLLJG-SGTLLEGYSA-N 372.266 4.483 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCC[C@H]1c1ccccc1Cl)NCC2 962927601 WNSTXRQCDRERIY-AVRDEDQJSA-N 368.908 4.351 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1cc(OC)c2oc(N)nc2c1 963229637 ONBMACYGJDSBFA-BFUOFWGJSA-N 351.450 4.165 0 1 FIAF O=C1N[C@@H](c2c[nH]nc2-c2ccccc2)Nc2c(Cl)cc(Cl)cc21 1857635481 GHSPKOUUIWGJQI-INIZCTEOSA-N 359.216 4.238 0 1 FIAF CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2c(OC)cccc21 2382218130 FPAKNSVMCVVDQR-UHFFFAOYSA-N 357.841 4.290 0 1 FIAF CSc1ccc(CN2C(=O)C(F)(F)Oc3c(C(C)=O)cccc32)cc1 61929987 NKVWQGIWGCXDNK-UHFFFAOYSA-N 363.385 4.130 0 3 FIAF CC[C@@H](CO)Oc1cc(NCc2ccc(O)cc2)c2ncn(C(C)C)c2c1 61949000 HHCBRXDDNCZYKD-KRWDZBQOSA-N 369.465 4.085 0 3 FIAF O=S(=O)(c1ccccc1)n1c(-c2c(F)cccc2F)nc2ccccc21 5974650 CMSFEPATYGMURN-UHFFFAOYSA-N 370.380 4.219 0 1 FIAF Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)NC(=S)N2 6521039 UTBAEDFYZKEFOP-MRXNPFEDSA-N 354.866 4.224 0 1 FIAF CC(C)CN1CCc2nc(-c3ccccc3)c3c(c2CC1)CO[C@@H](C)C3 7991992 VVRAOCDAWWHKMB-KRWDZBQOSA-N 350.506 4.266 0 1 FIAF COc1cccc(CNc2ncnc3onc(-c4ccc(F)cc4)c23)c1 8595163 LQTTUVQERSXZKQ-UHFFFAOYSA-N 350.353 4.045 0 1 FIAF COC[P@](=O)(O)[C@@H](CCC/C=C(\C)CCC=C(C)C)P(=O)(O)O 13742096 CAOYIFBVILXMOX-AAWPKVBNSA-N 368.347 4.228 0 1 FIAF COc1cc(Br)c(-n2ccc3c(C)cc(C)nc32)c(OC)c1 13794634 KPARZMBGRLAYAL-UHFFFAOYSA-N 361.239 4.422 0 1 FIAF CC(=O)c1c(O)n(O)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc12 18158062 IDLFAZPSQXUXFF-RMKNXTFCSA-N 370.792 4.092 0 1 FIAF O=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cccc(F)c1 40861799 MKIXXPCHZHGLCB-UHFFFAOYSA-N 369.783 4.379 0 1 FIAF Cc1cc(N)nc2cc(CNCCc3ccccc3Br)ccc12 45167707 OQWAKRABXWYKQL-UHFFFAOYSA-N 370.294 4.220 0 1 FIAF COc1ccc2c(c1)[C@@]1(OCCC=C[C@@H]1C)C(=O)N2Cc1ccc(F)cc1 66136325 CRBQYYFIXCEXPB-OYHNWAKOSA-N 367.420 4.189 0 1 FIAF CC(=O)O[C@@H]1CCC(C)(C)[C@@]2(O)CCc3c(cc4occc4c3C)[C@]12C 86002398 HXWQDWYRBCPQLK-FCEUIQTBSA-N 356.462 4.428 0 1 FIAF biogenic CC1(C)[C@@H]2CC[C@]1(CC(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 101618464 QZKDOLFDPNDPMR-KOSHJBKYSA-N 363.501 4.359 0 1 FIAF CCCCC[C@](C)(O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCSCC(=O)O 169337998 AFOVXUJBAZEFLD-OWJVHOTKSA-N 356.528 4.067 0 1 FIAF CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C(=O)O)CC[C@@]3(C)C(C)=CCC[C@@H]32)C(=O)O1 238742695 RBOVBGSBFUZCEO-RNEDXHKXSA-N 362.466 4.086 0 1 FIAF COc1ccc(OC)c(-c2nnc(-n3ccc4cc(OC)ccc43)s2)c1 299863369 LBBOZIAXKQJWID-UHFFFAOYSA-N 367.430 4.175 0 1 FIAF Cc1nc2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2cc1Br 586904128 RFPXEPQFILPZBK-UHFFFAOYSA-N 360.211 4.116 0 1 FIAF COc1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586999364 YIYUNCDRHCIWEC-AATRIKPKSA-N 373.206 4.233 0 1 FIAF CC[C@H](Oc1ccccc1F)c1nc2ccc(Br)nc2[nH]1 587156830 ZWVIVTMEUQYPBL-NSHDSACASA-N 350.191 4.390 0 1 FIAF Nc1ccc(/C=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587251795 OBFSNNGJRDKBFI-ZZXKWVIFSA-N 354.282 4.365 0 1 FIAF CCOC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 587377240 VODYINOVIBLPHN-KRWDZBQOSA-N 359.809 4.114 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(Cc4ccccn4)c1C)[C@@H](C2)C3=O 587430969 LHFJKNQVHPBCTD-WMZHIEFXSA-N 374.440 4.046 0 1 FIAF CCOc1cc2c(cc1[C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)CCC2 587445378 YKZFTOWPPQPGBA-VGOFRKELSA-N 350.414 4.071 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(Cl)c(N)cc31)CC2=O 587463852 ZDRIVZQZZMOYGX-HXUWFJFHSA-N 357.837 4.387 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)cc1N(C)C)CC2=O 587466894 NXOZJFMJDRWSJE-OAQYLSRUSA-N 357.425 4.430 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1OCCCO3)CC2=O 587492731 RUAPNKSTCMNNOK-IBGZPJMESA-N 354.402 4.213 0 1 FIAF CCOC(=O)C[C@]1(c2ccc(C)o2)CC(=O)c2ccc3c(c2O1)CCCC3 587534843 ZUOYGLZNDBPRLG-QFIPXVFZSA-N 368.429 4.281 0 1 FIAF Oc1c(Cc2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623098 YWBFYPZNAYQTNY-UHFFFAOYSA-N 360.186 4.242 0 1 FIAF CC(C)c1ccccc1O[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651725 DEQOPJGTAZILCQ-CYBMUJFWSA-N 370.836 4.281 0 1 FIAF CCN(CC)c1ccc(-c2nn(CC(C)C)c(=O)c3ccccc23)c(O)c1 587666036 YCCNMHNXAJECCQ-UHFFFAOYSA-N 365.477 4.271 0 1 FIAF CCn1cnc(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587707215 UWWGWPUGQYBZAP-OQPBUACISA-N 372.669 4.082 0 1 FIAF CCN(/C=C(\F)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)CC 587708099 XVULHYRRAHWQBA-FCGYFEEHSA-N 359.258 4.316 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ncc2F)N1 587732384 MDBTXFKNRHNNBD-ZIDLFYJRSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3C[C@H]2CCC3=O)N1 587825470 DSXLKRICURVCMU-KNQLMXMPSA-N 366.274 4.097 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C2CC2)nn1 587862530 BTBIZHWWSZQJCW-UHFFFAOYSA-N 360.339 4.234 0 1 FIAF Fc1ccc2c(c1)-c1cc(n(-c3ncc4c(n3)-c3ccccc3CC4)n1)O2 587875563 QSLXHZWIANPUGP-UHFFFAOYSA-N 356.360 4.340 0 1 FIAF Cc1ccc([C@@]2(C)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)nc1 962631360 DULXZRSGXKDUNB-RCZVLFRGSA-N 369.512 4.400 0 1 FIAF CCc1cccc([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962971208 STWITUWMWJHNRC-BEFAXECRSA-N 365.807 4.043 0 1 FIAF Cc1cccc([C@@]2(c3ccsc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963021514 GGSRXXZBFGTLQO-HJPURHCSSA-N 374.509 4.402 0 1 FIAF O=C1Nc2cc(Cl)c(F)cc2[C@]12NCCc1c(Cl)cc(Cl)cc12 963115378 WBADUNWOKOLRJM-INIZCTEOSA-N 371.626 4.127 0 1 FIAF Cn1nc(C(=O)O)cc1-c1csc(Nc2cc(Cl)cc(Cl)c2)n1 1772652439 PRJIZIWTYSUHQF-UHFFFAOYSA-N 369.233 4.292 0 1 FIAF Cc1cc(Nc2nc(C(=O)NCCCOC(C)C)cs2)ccc1Cl 1857601737 PVZRFZBFIQSNHR-UHFFFAOYSA-N 367.902 4.393 0 1 FIAF O=C(O)C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl 1857629531 PPBVJMLHXGVKIC-AWEZNQCLSA-N 356.180 4.078 0 1 FIAF O=S(=O)(c1ccccc1)n1cc(-c2cccc3nccn23)c2ccccc21 61904069 YZHAGQWSQQDWQE-UHFFFAOYSA-N 373.437 4.193 0 3 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(OC)c3)cc2)C[C@@H]2CC[C@H]1N2C 29480283 YAWYTOJUXFKJAW-PDGJWGCVSA-N 365.473 4.102 0 1 FIAF CO/C=C(/C(=O)OC)c1ccccc1CSc1nc2ccccc2o1 35328639 ZAWFKVSBTTWOGJ-RVDMUPIBSA-N 355.415 4.280 0 1 FIAF N[C@H]1CCN(Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)C1 45186914 CWZASJHTLJTWJB-KRWDZBQOSA-N 374.513 4.491 0 1 FIAF COc1cc(Nc2cncc(Nc3ccc(F)cc3)n2)cc(OC)c1OC 45484149 UFVNDLBKBPWIDO-UHFFFAOYSA-N 370.384 4.129 0 1 FIAF COc1ccccc1SCCCN[C@@H]1COc2ccccc2SC1 45495253 CKOXBXDNXQLDEN-OAHLLOKOSA-N 361.532 4.320 0 1 FIAF N=C(Nc1ccc2c(ccn2[C@H]2CN3CCC2CC3)c1)c1cccs1 72106552 WASUQFOKPNRIGE-SFHVURJKSA-N 350.491 4.407 0 1 FIAF O=c1cc(CN2CCCc3ccccc32)nc(SCc2ccccc2)[nH]1 72176240 VPMCSAFUIYPMAG-UHFFFAOYSA-N 363.486 4.015 0 1 FIAF CCN(CC)C(=O)[C@H]1CCCc2c1c1cc(OC)c(F)cc1n2CC[18F] 102894530 QMMGEIMAWWFSFZ-OPVXIATFSA-N 363.439 4.047 0 1 FIAF Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1ccccc1C(C)C 103188163 TXXRZGSNOQDXPE-UHFFFAOYSA-N 356.344 4.167 0 1 FIAF COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)cc2F)c1 103277259 AAUOKRAJRPXVIO-UHFFFAOYSA-N 356.328 4.477 0 1 FIAF CN1C(=O)CCc2c(NC(=O)N[C@H]3CC[C@H](c4ccccc4)C3)cccc21 169704957 LROUIROOTPZFRQ-IRXDYDNUSA-N 363.461 4.053 0 1 FIAF CC[C@@]1(C)C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 586886981 FCLYNIDZMKCUHP-INWYIAFRSA-N 359.065 4.387 0 1 FIAF Oc1c(Br)ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586887574 VCMBZYUHHDDJTK-KPZWWZAWSA-N 355.235 4.403 0 1 FIAF Cc1csc(SCc2ccc(-c3nc4c(=N)[nH]ccc4[nH]3)cc2)n1 587021557 NPAHYCGMPGJOME-UHFFFAOYSA-N 353.476 4.095 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587031915 CDVOINRYNCZEIV-UHFFFAOYSA-N 363.442 4.357 0 1 FIAF Cc1ccc2c3c(c(CCCC4OCCO4)cnc13)-c1ccccc1C2=O 587102177 SWEGAXAIKVBJER-UHFFFAOYSA-N 359.425 4.450 0 1 FIAF FC(F)(F)c1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587113088 NYOVVCDLIYRMFT-UHFFFAOYSA-N 361.367 4.081 0 1 FIAF COc1ccc(-c2nc3cccc(C)c3[nH]2)c(I)c1 587180426 QTEJQPQNXJFMLC-UHFFFAOYSA-N 364.186 4.152 0 1 FIAF CC(C)(C)OC(=O)N1C[C@H]2CCc3nc4cccc5c4c(c3[C@H]2C1)CC5 587212303 NAZBBARJADAOJJ-ZBFHGGJFSA-N 350.462 4.230 0 1 FIAF CCCC[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354677 OSAKHPAFYCPHSE-CTNGQTDRSA-N 356.393 4.408 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](C2)C3=O 587422560 FGEQSCGAAPBZTH-DCXZOGHSSA-N 370.273 4.054 0 1 FIAF O=C1C[C@]2(CCOc3c(F)ccc(F)c32)Oc2c1ccc1c2CCCC1 587509992 TYOACYXVLUPEMT-NRFANRHFSA-N 356.368 4.487 0 1 FIAF CN(C)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570107 HZRUJUALHINXPB-UGKGYDQZSA-N 361.397 4.161 0 1 FIAF CCC[C@@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617088 OTZXHJVTIGROQI-YMTYPPQLSA-N 354.402 4.072 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccccn2)N1 587775020 YCMKFSWMODJGLW-SMRFNTIOSA-N 361.258 4.446 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc[nH]c3nccc2-3)N1 587807515 XJIQWDBLZFXFOO-MGNBDDOMSA-N 374.257 4.214 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C2CCC2)N1 587815541 NLYREADRHRIXQL-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587938346 VFRSTAZJLXSGHC-HWPZZCPQSA-N 366.339 4.307 0 1 FIAF CCC[C@@H](c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(C)C 587957037 YIVDIRHBRSSQSF-OAHLLOKOSA-N 351.516 4.133 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1cccc2cnccc12 963036926 PRATWVIVJAGBOF-QHCPKHFHSA-N 355.441 4.201 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ccc2c(c1)CCCN2 963058542 PTSHUQGJOIZMMB-HSZRJFAPSA-N 359.473 4.011 0 1 FIAF CC[C@]1(c2ccc3c(c2)OCO3)c2cccc(Br)c2CCN1C 963289963 SJGGYTQNQXCYJC-IBGZPJMESA-N 374.278 4.319 0 1 FIAF O=C1Nc2ccc(Nc3ccccc3Cl)cc2[C@]1(O)Cc1ccccc1 1857550867 BDHQDSMXDCVXBK-OAQYLSRUSA-N 364.832 4.466 0 1 FIAF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(Cc3cnc4ccccc4c3)C1)C2 2356313059 OHJCQFYXVKLDHO-RXVVDRJESA-N 371.484 4.049 0 1 FIAF CC=C(C)C(=O)O[C@@H]1c2occ(C)c2[C@]2(C)OC(=O)[C@@H]3CCC[C@H]1[C@@]32C 2356681578 YVCVHGRNXPPDDG-LVZVVACZSA-N 358.434 4.347 0 1 FIAF CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2c3ccccc3C[C@@H]12 59889203 PTCKNXLVCDVUGX-KBAYOESNSA-N 361.363 4.367 0 3 FIAF CCCCCN1CCCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O 199409963 YANXTOXQTHDUGG-MRXNPFEDSA-N 370.415 4.007 0 3 FIAF CN(C)CCC[C@H](C(N)=O)c1ccccc1Sc1ccc(Cl)cc1 2032303 KCEJUVBPTILNAR-KRWDZBQOSA-N 362.926 4.402 0 1 FIAF CC[C@H](Cc1cc(OC)c(C)cc1OC)NC(=O)c1ccc(F)c(F)c1 3140146 MYILGWWVXVGYJJ-OAHLLOKOSA-N 363.404 4.042 0 1 FIAF CSc1nc2c(c(=O)[nH]1)N=C(c1ccccc1)C[C@H](c1ccccc1)N2 5542966 BVNFLIXAWRAJSD-MRXNPFEDSA-N 362.458 4.170 0 1 FIAF O[C@@H](c1ccccc1)[C@H]1CN(Cc2ccccc2)CC[C@@]1(O)c1ccccc1 13152904 IUOKAJBTLLBDLO-DSNGMDLFSA-N 373.496 4.130 0 1 FIAF Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12 13559998 CHMFFBQMSYJXTP-UHFFFAOYSA-N 367.412 4.227 0 1 FIAF C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28095156 RZMHSHIIWPYBCZ-WKQRDLCCSA-N 365.473 4.289 0 1 FIAF CCCN(CCC)[C@@H]1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1 29340981 GMKQIBRZRXDXMT-IBGZPJMESA-N 367.489 4.352 0 1 FIAF COc1ccc(C[C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1F 45189857 XTAPPDIBRQTLHA-SJCJKPOMSA-N 371.374 4.107 0 1 FIAF O=C(Nc1ccc(Cl)c(F)c1)C1=CCN(c2ncccc2Cl)CC1 45496522 XBRNNVOIGSDIGM-UHFFFAOYSA-N 366.223 4.303 0 1 FIAF CCCCOc1ccc(-c2nc(CNCC[C@H]3CCCN3C)co2)cc1 72102187 HLUZAVJRSUYWRJ-LJQANCHMSA-N 357.498 4.094 0 1 FIAF O=C(CCCCN1CCCCC1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 84739428 LOEWGPWXHKYVIM-UHFFFAOYSA-N 360.889 4.325 0 1 FIAF CCN(CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C)c1ccccc1 100804743 XWZCZVLFGAYTMR-PUZWTLIVSA-N 364.533 4.443 0 1 FIAF N=c1c2ccsc2nc2n1CC/C2=C\c1ccccc1Br 101030348 FANFUDBBDAWKMK-LHWQALLBSA-N 358.264 4.284 0 1 FIAF CC(C)(C)C(=O)CSc1cc(C(F)(F)F)nc(-c2ccccn2)n1 103375718 BKFRJJRMRCOXFK-UHFFFAOYSA-N 355.385 4.265 0 1 FIAF CC(=O)N[C@H](C)CCc1ccc(Oc2ccc(OCC3CC3)nc2)cc1 118218522 SZYWRWGPHILDOF-OAHLLOKOSA-N 354.450 4.120 0 1 FIAF CC(=O)O[C@@H]1C[C@@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@@H]1[C@H](C)CCC=C(C)C 137916660 OGYMASQTERCZQQ-VLFIBQBSSA-N 360.494 4.446 0 1 FIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cc2ccccc2[nH]1 167482323 AQMKUCYHSZPXMA-KBXCAEBGSA-N 364.445 4.295 0 1 FIAF O=c1nc(Nc2cccc(OCc3ccccc3)c2)sc2ncccc12 169305106 FODNQFJCHCQSBS-UHFFFAOYSA-N 361.426 4.374 0 1 FIAF CC(=O)CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@@H]2C1 169332183 RSJLDQKWMAAKHL-NHCQJFKSSA-N 373.500 4.024 0 1 FIAF C=C(Br)C(=O)Nc1cccc(/C=C/C(=O)Nc2ccccc2)c1 169348568 WXKNLMDSNBRDNG-ZHACJKMWSA-N 371.234 4.186 0 1 FIAF CCCNC(=O)[C@@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169720747 UOGTZDGSELFLDY-HZPDHXFCSA-N 365.264 4.028 0 1 FIAF O=C(O)CCCCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 299839009 WVNRWRZRXZCXMT-UHFFFAOYSA-N 371.824 4.467 0 1 FIAF Cc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Cl 586967006 OTJKVBDFIVBHEB-UHFFFAOYSA-N 357.826 4.262 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 587016720 CFWYCKNTEAEIRC-UHFFFAOYSA-N 373.821 4.310 0 1 FIAF O=C(c1nc2cc3c(cc2[nH]1)OCCO3)c1c(Cl)ccc(F)c1Cl 587133388 PTDKSXXYCNAMGB-UHFFFAOYSA-N 367.163 4.011 0 1 FIAF COC(=O)c1cc2nc(-c3ccc(-c4ccccc4N)cc3)[nH]c2cc1OC 587250107 HGYOZRODWZCKOW-UHFFFAOYSA-N 373.412 4.274 0 1 FIAF CC(C)OCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344019 BDSSRVPGYWWXDO-TZIWHRDSSA-N 358.409 4.464 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(=C/N(C)C)c1cccc(Cl)c1)O2 587379567 VUDIJGJJFIZBTK-KZIRBZLESA-N 356.853 4.167 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(Cl)cc3)c1)O2 587380047 OQPDWUDXBJZQLQ-GOSISDBHSA-N 353.809 4.123 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cncc(C)n4)cc1)[C@@H](C2)C3=O 587436464 RLZYBTFQFFEZCI-JTSKRJEESA-N 374.396 4.075 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(COc1ccc(F)c(F)c1)CC2=O 587466498 MDNHMPJLAKRJSJ-FQEVSTJZSA-N 362.372 4.426 0 1 FIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1C(C)C 587582086 NUYSNOUCQRCPOV-GHTZIAJQSA-N 364.401 4.181 0 1 FIAF C[C@@]1(c2ccccc2C=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604047 UEOAGGCZVFVWEO-UGKGYDQZSA-N 360.365 4.082 0 1 FIAF CCCN1C(=O)[C@](O)(c2c(C)[nH]c3c(C)cc(Cl)cc23)c2ccccc21 587627115 OGPDVJVXPACPFD-OAQYLSRUSA-N 368.864 4.431 0 1 FIAF Cc1cccc(N)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587750047 REEAGSSUUUDJGT-VOJFVSQTSA-N 363.274 4.277 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 587781920 ZCIPWIGLHTXKRS-VMPITWQZSA-N 356.809 4.233 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3n[nH]cc3c2)N1 587799780 YLVAWEOPHWNGKY-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)C[C@@H](C)C2=O)N1 587822275 JOIBFHAOVUEZKH-YRUZYCQGSA-N 368.290 4.343 0 1 FIAF CC[C@@]1(c2cc(N)ccc2C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618976 CUSAYKRAWXZHBE-OYHNWAKOSA-N 354.494 4.124 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1[nH]c2ccc(F)cc2c1C 963634072 IXZQHKHQPXOQRP-WSVYEEACSA-N 354.425 4.256 0 1 FIAF Cc1cc(C)cc(OCCCn2ccc3ccc(OCC(=O)O)cc32)c1 1772594109 JDQKKZCICMSOSQ-UHFFFAOYSA-N 353.418 4.191 0 1 FIAF COc1cc(C(=O)c2cccc(-c3ccc(C)cc3)n2)cc(OC)c1OC 1857571770 CDPJQGNKOCYFGQ-UHFFFAOYSA-N 363.413 4.314 0 1 FIAF COc1cc2c(cc1O)[C@H]1O[C@@H](c3cc4c(c(OC)c3-2)OCO4)[C@@H](C)[C@H]1C 2356453499 AEMHOASRMDNCLT-UWZRNMPPSA-N 370.401 4.203 0 1 FIAF CCOc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1Cl 4143629 WQBFPDOWJZPINP-UHFFFAOYSA-N 370.865 4.355 0 3 FIAF c1ccc(C2(CN3CCNC[C@H]3Cc3cccc4ccccc34)CC2)cc1 61711160 IRMLBVGBZYXZNV-HSZRJFAPSA-N 356.513 4.388 0 3 FIAF COC(=O)c1c(C)cccc1[C@H]1CN=N[C@]12Cc1cc(C)cc(C)c1C2=O 5539771 XRYCDSHAJGVWQP-VGOFRKELSA-N 362.429 4.126 0 1 FIAF CN(C)CCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 6798789 CVJPVCQMAPIJEF-UHFFFAOYSA-N 373.909 4.264 0 1 FIAF CCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12 13585099 DRQHYFKZTQDMFJ-UHFFFAOYSA-N 371.655 4.330 0 1 FIAF O=c1ccoc2cc(OCCCN3CCC=C(c4ccccc4)C3)ccc12 13860946 YFZYSMRUADKWEO-UHFFFAOYSA-N 361.441 4.351 0 1 FIAF COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@@H](C)[C@@H](C)C2=O 14726863 ZXAFNDDXODHVOJ-ZBUHCNDUSA-N 356.418 4.018 0 1 FIAF biogenic O=C(NCc1ccccc1)Oc1cccc(C(=O)c2nc3ccccc3o2)c1 28710779 LEDLQVKRFJBLBH-UHFFFAOYSA-N 372.380 4.347 0 1 FIAF C[C@H]1CN(CCCC(=O)c2ccc(F)cc2)CC[C@]1(O)c1ccccc1 29557808 JKXPWDUACRNDOH-HTAPYJJXSA-N 355.453 4.018 0 1 FIAF CC(O)=C(C(=O)c1ccccc1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] 36019186 OSJDRKBFEKXLNN-UHFFFAOYSA-N 362.725 4.328 0 1 FIAF biogenic C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 49785071 ARRNZUHFFUCBML-DZGCQCFKSA-N 360.860 4.122 0 1 FIAF COc1ccc(OC)c(C(=S)NCc2ccc(F)c(C(F)(F)F)c2)c1 66124488 PUSVHUHXOQIVKH-UHFFFAOYSA-N 373.371 4.327 0 1 FIAF c1ccc(COc2ccc(-c3nnc4ccc(-n5cccc5)nn34)cc2)cc1 82060534 JICLOEFSOLUWDI-UHFFFAOYSA-N 367.412 4.161 0 1 FIAF Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CCCCN1CCCCC1 84739430 UDNVGXVDJIKQKN-UHFFFAOYSA-N 374.916 4.335 0 1 FIAF c1ccc(CNCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)nc1 96940345 QTTLYAYDYSSEDX-OAQYLSRUSA-N 351.494 4.018 0 1 FIAF Cc1ccc(-c2cnnc(N3CC[C@@H](c4cccc(C(F)(F)F)c4)C3)n2)o1 103227008 XRAJVTZSGJPDEJ-CQSZACIVSA-N 374.366 4.453 0 1 FIAF CN(c1ccccc1)c1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 222348066 IMYMOQSZZZWJOI-UHFFFAOYSA-N 368.440 4.284 0 1 FIAF C[C@@H]1[C@@H](NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CCC[C@H]1C 248133120 ZKZLQVNOLBJHFM-GLJUWKHASA-N 360.523 4.150 0 1 FIAF Nc1ccc(-c2ccc3nc([C@@H](O)c4ccccc4Cl)[nH]c3c2)cc1N 587059460 QTQGOMLEARQMEY-IBGZPJMESA-N 364.836 4.129 0 1 FIAF Clc1cnn(COc2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)c1 587082466 QGIDHIKGWDMXDK-UHFFFAOYSA-N 360.204 4.165 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(O)nc1CC3 587108051 XUBVXAOXABNFCA-UHFFFAOYSA-N 350.377 4.312 0 1 FIAF COc1cc(OC)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c1 587120460 JZGGNZKXYCGUJJ-UHFFFAOYSA-N 362.311 4.142 0 1 FIAF COc1c(F)ccc(F)c1-c1nc2c(Cl)c(Br)cnc2[nH]1 587133309 SLXCRKSXONIWMR-UHFFFAOYSA-N 374.572 4.328 0 1 FIAF CN(C)c1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)nc1 587194347 DMUSJIITGQAWOX-UHFFFAOYSA-N 351.635 4.107 0 1 FIAF C[C@]1(c2ccnc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331849 CAYPVQNDVRTFPV-PZJWPPBQSA-N 367.351 4.340 0 1 FIAF CC(C)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347729 UTGWUNWZSTUPTL-FQEVSTJZSA-N 369.436 4.133 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)cc1C)[C@@H](C2)C3=O 587414920 YTYNSBXKPKKMIH-HNAYVOBHSA-N 373.246 4.429 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(O)cc1Cl)[C@@H](C2)C3=O 587421478 MJGXNWHRJIVHBA-DYZYQPBXSA-N 351.185 4.196 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnccc1C(F)(F)F)CC2=O 587464777 YDBDQZGSUWQJFT-INIZCTEOSA-N 351.324 4.465 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCC[C@@H](C)C1)CC2=O 587481895 YAXZYQFWWWIPCO-FOIQADDNSA-N 359.510 4.437 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(C(=O)O)cc1C)CC2=O 587488953 LKSXWNORFJYMSA-SFHVURJKSA-N 354.402 4.366 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)C1CCC1 587587700 PHPOVLIVDKKYFN-NFBKMPQASA-N 373.408 4.444 0 1 FIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1C 587592161 IIHUAFUNPTWCKU-SIKLNZKXSA-N 362.381 4.412 0 1 FIAF COc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599009 DDCYWIWULPNRKE-UGKGYDQZSA-N 362.381 4.278 0 1 FIAF Cc1cc(C)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587608856 MXVSYSAIUXLSGQ-XMSQKQJNSA-N 362.381 4.418 0 1 FIAF Cc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660180 OTISXFYUAPFKDM-UHFFFAOYSA-N 358.372 4.200 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2F)N1 587727255 NDBVNWVRRVQKTG-ZKANADHPSA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(F)cc2F)N1 587727292 NMGXEIATKGOQES-BCTVWOGZSA-N 371.200 4.059 0 1 FIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)cc1 587785149 MLPPGLKXYUFSBA-IAGOWNOFSA-N 357.413 4.363 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c[nH]nc23)N1 587799051 VZTIOEKQHBYLOC-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF CCC(=O)CC[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587813074 MTNHOJXZAREORX-DIFFPNOSSA-N 356.279 4.487 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCSCC2)N1 587858585 RTHQDPOSHBWESN-QLJPJBMISA-N 358.320 4.481 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C)cc1 587870893 UTCFVYTXIJSQIX-UHFFFAOYSA-N 354.381 4.116 0 1 FIAF CCCOc1ccc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1CO 963096376 NFIRHOAGDKGTCP-DENIHFKCSA-N 355.453 4.217 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2O)cc1 1772628799 KDMJBLUICZFCNN-YADHBBJMSA-N 362.404 4.161 0 1 FIAF COc1ccc(-c2cncc(/C=C3\SC(=N)NC3=O)c2)c2ccccc12 1857560080 BPUXFIWTVVLVDM-NVMNQCDNSA-N 361.426 4.049 0 1 FIAF COC(=O)C1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 2356496029 BWADDJDJLUBKIC-HUJKARHJSA-N 364.482 4.105 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](O)[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2356535721 IEEUFWOXVCPGAH-HNELQEGVSA-N 374.521 4.057 0 1 FIAF CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2Cc1c(O)ccc(O)c1C=O 13393225 ASIYDTZMRHYFMC-KRXUUXHPSA-N 360.494 4.446 0 1 FIAF COc1cccc2c1Sc1ccc(Cl)cc1C[C@H]2N1CCNCC1 22459489 MCIDIYXTIHXJAI-MRXNPFEDSA-N 360.910 4.002 0 1 FIAF CN1CCN(C2=Nc3cc(C(F)(F)F)ccc3Nc3cscc32)CC1 27999490 JGHGOSLABOGNBO-UHFFFAOYSA-N 366.412 4.150 0 1 FIAF CC(=O)N[C@H](CC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 45484591 JCLVJJROTLVOBB-MRXNPFEDSA-N 364.214 4.038 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCSCC(=O)O 59529863 HXKXLQBESTZVLE-PMUXNBMCSA-N 356.528 4.067 0 1 FIAF CCCC[C@@H](C)OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 59895673 OCRQPJAUVMZLOM-NEFAXPCMSA-N 364.530 4.157 0 1 FIAF CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cc3)nc2c1 73314577 WPLIVZSQWJFXAP-UHFFFAOYSA-N 370.352 4.384 0 1 FIAF CC(C)(C)c1ccc(C(=O)N[C@@H](CCc2ccccc2)CC(=O)O)cc1 73369183 RVXPGGOGXPBSDW-IBGZPJMESA-N 353.462 4.190 0 1 FIAF Nc1ncnn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168304 BXZICJTYDLVXEI-UHFFFAOYSA-N 357.417 4.433 0 1 FIAF COc1ccc(OC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1 98083323 IHCBOGBUQCZYIE-UHFFFAOYSA-N 371.396 4.162 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100788811 IWSCITFBDCQRGG-MUURIBACSA-N 350.499 4.479 0 1 FIAF COc1cccc(OC)c1CNC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 103235005 YDJSMBUXIVDGDF-RDTXWAMCSA-N 371.502 4.299 0 1 FIAF CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCC(=O)O 118785388 JKPUWSZSJINVLB-OSKNXYPTSA-N 360.494 4.491 0 1 FIAF O=S(=O)(c1ccc2ccccc2c1)c1ccc2oc3c(c2c1)CNCC3 143525608 GETZHZPFBXQJLR-UHFFFAOYSA-N 363.438 4.065 0 1 FIAF O=C(N[C@@H]1CCc2cc(Cl)cc(Cl)c21)[C@H]1CCc2ncsc21 220850228 CPNGQHHNJVNSLW-CMPLNLGQSA-N 353.274 4.283 0 1 FIAF C[C@H](N)CNc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12 223668646 RZZKTKIGXMBTFI-JTQLQIEISA-N 369.881 4.319 0 1 FIAF Oc1ccc(-c2ccccc2-c2nc3nc(Br)c[nH]c-3n2)cc1 586898355 HXUVARVUEUUZPQ-UHFFFAOYSA-N 367.206 4.107 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4ccc(F)c(F)c4[nH]3)n2C)cc1 586965191 GJEPQWMQJFALQS-UHFFFAOYSA-N 371.416 4.237 0 1 FIAF O=C(O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)o1 586992349 VNYYNGBAJIRWQE-UHFFFAOYSA-N 357.321 4.110 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3ccnc(Br)c3Cl)nc12 587005858 WPPICFBRJBQQOC-UHFFFAOYSA-N 358.026 4.398 0 1 FIAF Cc1c(Br)cnc2nc(-c3ccc(Br)o3)[nH]c12 587007633 LSEUVBKRHMXOER-UHFFFAOYSA-N 357.005 4.051 0 1 FIAF Brc1nc(-c2nc3cc4c(cc3[nH]2)OCO4)c(C2CC2)s1 587013427 WAMKPVSOULPRHG-UHFFFAOYSA-N 364.224 4.055 0 1 FIAF C[C@H](O)c1ncc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)s1 587022374 QEFAZMVIKUYTEO-LBPRGKRZSA-N 351.431 4.319 0 1 FIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnccc3[nH]2)C[C@@H]2CCCC[C@H]21 587026388 LDCNAMOAVPURHY-QGTPRVQTSA-N 366.490 4.094 0 1 FIAF Cc1c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166254 POMZZRUSZOPXSS-IBGZPJMESA-N 363.396 4.407 0 1 FIAF Fc1cc2c(c(Cc3nc4cccc(OC(F)(F)F)c4[nH]3)c1)OCOC2 587171070 IGDACFAZGLWCLQ-UHFFFAOYSA-N 368.286 4.058 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OC)c(Cl)c1)[C@@H](C2)C3=O 587421889 NSIKNGOAWUEUPD-GTNSWQLSSA-N 365.212 4.499 0 1 FIAF Cc1ccc(Cl)nc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551665 IHIGJYBQRURYHS-JXFKEZNVSA-N 367.788 4.452 0 1 FIAF C[C@]1(c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600641 BOYHFEPBCIDROK-DENIHFKCSA-N 360.365 4.082 0 1 FIAF CCc1cnccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587770495 AGHPYQYPDZCWCC-BBATYDOGSA-N 363.274 4.343 0 1 FIAF COCC[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587794739 PTYLPFVICAFOSM-BTJLNZGRSA-N 356.279 4.154 0 1 FIAF CC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587832574 JYBVIENIDJMYTP-ADLMAVQZSA-N 364.258 4.482 0 1 FIAF C[C@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1ccc(C(F)(F)F)n1 587874050 PDGYJKBZAOWUIQ-MRVPVSSYSA-N 366.274 3.912 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)cnc2[nH]1 587928704 AZHUBQWCFSNBSL-SJKOYZFVSA-N 358.239 4.174 0 1 FIAF COc1cccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587932294 SAIJXLRBVJRWTF-UHFFFAOYSA-N 357.282 4.211 0 1 FIAF COc1ccc(C2(c3nc4ccc(C(=N)N)cc4[nH]3)CC3(CCC3)C2)cc1 587934916 IEEPVEGXMKFDAM-UHFFFAOYSA-N 360.461 4.106 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3c(C)c(Br)cnc3[nH]1)CC2 587935927 WHBTZMUHNUBVAJ-LBPRGKRZSA-N 372.266 4.310 0 1 FIAF FC1(F)Oc2cc3nc(COC45CC6CC(CC(C6)C4)C5)[nH]c3cc2O1 587951107 RVOPLTGDJSNBHM-UHFFFAOYSA-N 362.376 4.370 0 1 FIAF Cc1cccc([C@@]2(c3ccsc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963021516 GGSRXXZBFGTLQO-MWTRTKDXSA-N 374.509 4.402 0 1 FIAF Cc1c([C@@H](C)n2cnc3ncc(-c4ccncc4)nc32)ccc2ncccc12 1857581531 JVGKUMHPYPYEAK-OAHLLOKOSA-N 366.428 4.354 0 1 FIAF O=c1nc(SCc2ccccc2Cl)nc2n(-c3ccccc3)[nH]cc1-2 12732161 MMLNKRCQAKZEEJ-UHFFFAOYSA-N 368.849 4.006 0 3 FIAF CCCCO[C@@H]1C[C@]2(c3ccc(OC)cc3)C(=O)c3ccccc3N2O1 5784056 NACNPPUWAADAGY-FPOVZHCZSA-N 353.418 4.072 0 1 FIAF CC(=O)O[C@@H]1/C(C(C)C)=C/C=C(/C)CC/C=C(/C)CC[C@@H]2O[C@]2(C)[C@H]1O 13384507 UCGNKVNJSKHNBJ-KBNGEUDRSA-N 362.510 4.486 0 1 FIAF Cc1ccc(C(=O)Cn2c(=O)n(Cc3ccccc3)c3ccccc32)c(C)c1 26726291 WLWKEDMRQUIWDQ-UHFFFAOYSA-N 370.452 4.351 0 1 FIAF O=C(c1ccc(N2CCOCC2)cc1Cl)N1CCCCc2ccccc21 27438488 BLLPLLSKDCAPPX-UHFFFAOYSA-N 370.880 4.160 0 1 FIAF Oc1ccc(Cl)c(Nc2cc(C(F)(F)F)nc(-c3cnccn3)n2)c1 40893972 KNADHLLFTNUMBT-UHFFFAOYSA-N 367.718 4.055 0 1 FIAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(C)[C@H](C)C1 53059666 IMZYOZMMPLONHQ-GFCCVEGCSA-N 358.486 4.221 0 1 FIAF FC(F)(F)c1cc(N2CCOCC2)c2cccc(C(F)(F)F)c2n1 59721277 KGLHWLQRMULYDW-UHFFFAOYSA-N 350.262 4.109 0 1 FIAF NC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1C(F)(F)F 63540051 OFPXYNMQWVCVKZ-UHFFFAOYSA-N 373.338 4.082 0 1 FIAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC[C@H](O)CO 66074163 NLBFVPKIMGBPGM-GSNKCQISSA-N 353.547 4.269 0 1 FIAF CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(NC(C)=O)cc1 72127527 ANJOWLHUOCPYOB-UHFFFAOYSA-N 350.418 4.265 0 1 FIAF CC(=O)Nc1cccc(-c2ccc(C[C@@]3(C)SC(=O)[C@@H](C)C3=O)cc2)c1 169717816 NOCWMDVQQQCJGT-YEJXKQKISA-N 367.470 4.092 0 1 FIAF C1=C[C@@H]2[C@H](c3ccnc(Nc4ccccc4)n3)C(c3ccccc3)=NN2C=C1 169720376 LBVCYKSFXVQSBC-RTWAWAEBSA-N 365.440 4.476 0 1 FIAF CC(C)[C@@](C)(O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586886129 FBSSOBORMNOHSJ-GFCCVEGCSA-N 367.165 4.088 0 1 FIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587040609 OWVWZTSKESWMHG-NSHDSACASA-N 357.838 4.338 0 1 FIAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(SC)cc2[nH]1 587067292 SBQSKPXBOJYODZ-UHFFFAOYSA-N 362.838 4.338 0 1 FIAF CCOc1cc(/C=C\c2nc3cc(OC)ncc3[nH]2)ccc1OC(F)F 587130692 OBXOSCMWJAQIHF-ALCCZGGFSA-N 361.348 4.137 0 1 FIAF O=S(=O)(O)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587153073 KHONOLADBZVXKR-UHFFFAOYSA-N 368.389 4.283 0 1 FIAF NC(=O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163436 ISLXAHGCBDAMBC-GDNBJRDFSA-N 363.417 4.451 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)F)cc1C)O2 587383862 WVOACTOQYOMQEX-MRXNPFEDSA-N 351.324 4.491 0 1 FIAF COc1ccc(-c2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)cc1 587412282 IOASYBDHOYSCLJ-GOSISDBHSA-N 366.442 4.416 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(OC)c(F)c1)CC2=O 587465082 AJMQANQEXMSKGK-AWEZNQCLSA-N 358.409 4.459 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3ccc(C)cn13)CC2=O 587492920 YQXRHSVNKPGMCW-GOSISDBHSA-N 350.418 4.316 0 1 FIAF O=C1C[C@H](c2cnc3n[nH]c(Cl)c3c2)Oc2c1ccc1c2CCCC1 587502016 SICCODJBVJTMLW-MRXNPFEDSA-N 353.809 4.197 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587517961 YBRHDGDANLJOTC-BEFAXECRSA-N 371.477 4.156 0 1 FIAF COc1cc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587522532 FHRTWTWKEOYFOJ-QFIPXVFZSA-N 352.430 4.246 0 1 FIAF Cc1cc2c([nH]1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587165 FZUYNOZVOLAZRG-UGKGYDQZSA-N 361.397 4.222 0 1 FIAF Cc1ccnc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587593042 ZZDIAXYQFAEVDW-WIYYLYMNSA-N 372.380 4.280 0 1 FIAF CS[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587615188 WVZHLMNBNKTROJ-MBOZVWFJSA-N 356.443 4.398 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2cnn3C)N1 587755919 BOLCNGXGHLLOIH-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nn(C)cc23)N1 587762073 XBMFYFASPOKRNN-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3c[nH]nc23)N1 587793019 JGAQHPBPZWCYJB-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 587928621 AGERQZGOWXSBTI-AOMKIAJQSA-N 364.445 4.122 0 1 FIAF CCOC(=O)Cc1ccc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2c1 587932750 VIWSSMCCCXSRBH-AWEZNQCLSA-N 352.434 4.023 0 1 FIAF CN1C(=O)C[C@H]2CN[C@](c3cc(F)cc(Cl)c3)(C3CC3)c3cccc1c32 963019932 FTDAWBCQAPEDBT-QKVFXAPYSA-N 370.855 4.186 0 1 FIAF CCO/C=C/[C@]1(C(F)(F)F)c2cccc(Br)c2CCN1C 963280074 LUDMHONONIBXQG-QSYFUGGGSA-N 364.205 4.245 0 1 FIAF COc1ccc(CN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 1203957457 DIDPYWMQLBZGMC-KKSHJYNMSA-N 352.522 4.090 0 1 FIAF C/C=C1\CO[C@@](C(=O)NCc2ccccc2)(C(F)(F)F)C=C1C=C(C)C 13828916 ZAEMXAJCKHIUTB-YDIVSAOHSA-N 365.395 4.473 0 3 FIAF COc1ccc(-c2csc([C@@](C)(NC(C)=O)c3ccccc3)n2)cc1 61927449 RHMRNDDNOWQMRG-FQEVSTJZSA-N 352.459 4.218 0 3 FIAF N[C@H](Cc1ccc(F)cc1)c1csc(Nc2nncc3ccccc23)n1 61927468 HLDPMZGZWYOLNN-MRXNPFEDSA-N 365.437 4.212 0 3 FIAF Brc1cccc([C@H]2C[C@H](c3cccs3)N3NN=NC3=N2)c1 2914121 PJXUIJLKCZVQMF-VXGBXAGGSA-N 362.256 4.240 0 1 FIAF COC(=O)c1cc(C)ccc1[C@H]1CN=N[C@]12Cc1c(C)cc(C)cc1C2=O 5539785 KLKQGXZLJBEEQM-DENIHFKCSA-N 362.429 4.126 0 1 FIAF Cc1nc2cnccc2n1CCCO[C@H]1CC[C@@H](c2ccc(F)cc2)O1 11687524 DPLGULRGBPMLCH-VQTJNVASSA-N 355.413 4.163 0 1 FIAF Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)cn3c2CCC3)cc1 13554534 FPSUVIUWANQXKX-UHFFFAOYSA-N 351.471 4.480 0 1 FIAF Cc1cccn2cc(-c3ccc(NC(=O)CCN4CCCCC4)cc3)nc12 13819595 FBYNOFCXIWAFMM-UHFFFAOYSA-N 362.477 4.124 0 1 FIAF CN[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)c(C)c1 25976873 QUFVCQSBHRJKFG-QHCPKHFHSA-N 351.859 4.150 0 1 FIAF O[C@H]1CCCN(CCCCOc2ccccc2/C=C/c2ccccc2)C1 27714054 QLOAZMJZUITTOX-FRFYRWIFSA-N 351.490 4.473 0 1 FIAF CCCC[C@@H](O)C1=CC[C@@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@@H]3C1 27722374 DJYWGBMTZMYDEB-MYDTUXCISA-N 355.522 4.081 0 1 FIAF COc1nc(Cl)nc(Nc2ccc(Cl)c(OCC=C(C)C)c2)n1 35010596 PMWXZVBTTNNLNX-UHFFFAOYSA-N 355.225 4.276 0 1 FIAF O=C(CN1CCC(Cc2ccc(F)cc2)CC1)c1c[nH]c2ccc(O)cc12 103227666 ASCNQLMXSBIVHH-UHFFFAOYSA-N 366.436 4.150 0 1 FIAF COc1cc(Cl)c(CNC(=O)NCc2ccccc2)c(Cl)c1OC 169328412 FMXDQJNEKLCBHW-UHFFFAOYSA-N 369.248 4.010 0 1 FIAF O=C(Nc1ccccc1)N1CCN(Cc2cc3ccccc3s2)CC1 200261307 MPSOVSLCQPGYQS-UHFFFAOYSA-N 351.475 4.251 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C[C@H]2CC[C@H]1N2C 253638727 OXDFFEQFKNRNGA-NCYKPQTJSA-N 371.427 4.371 0 1 FIAF O=[S@](c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 473083762 DIKALZJUFICOTP-HHHXNRCGSA-N 374.509 4.097 0 1 FIAF Fc1c(Br)cc2nc(-c3csc4c3CCOC4)[nH]c2c1F 587032573 YLAYVAMTAMKUHX-UHFFFAOYSA-N 371.206 4.405 0 1 FIAF Ic1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1 587037156 SQECKUOYUXXUCB-UHFFFAOYSA-N 366.227 4.385 0 1 FIAF O=NCc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587190253 LPRQJRJIFKUMDD-UHFFFAOYSA-N 351.591 4.307 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@@]2(CCc3nc4cccc5c4c(c3C2)CC5)C1 587211224 BOZWNOMEUPTWPI-HSZRJFAPSA-N 364.489 4.449 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1Cl)O2 587378814 DSPLZPOCRKQYSR-KRWDZBQOSA-N 367.836 4.431 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@@H](C1)N3Cc1ccccc1)O2 587402135 YWFPMYIFHCQSDR-ROUUACIJSA-N 362.473 4.108 0 1 FIAF CC[C@@H](OC)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587438892 IVYGTGPGOFMKGS-JBYIUTFZSA-N 352.430 4.456 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587444013 RWCALHPVHJPJFI-IEBOFQNGSA-N 368.429 4.022 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](c3nccn3C)C1)CC2=O 587471300 PPKNNAFEVZPHMK-QKKBWIMNSA-N 354.450 4.140 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(C(=O)O)ccc13)CC2=O 587484425 OZPUJFASMOALGG-IBGZPJMESA-N 365.385 4.231 0 1 FIAF O=C1C[C@H](c2ccncc2Br)Oc2c1ccc1c2CCCC1 587500805 YDQRFGJYZPSDSG-QGZVFWFLSA-N 358.235 4.429 0 1 FIAF C[C@@]1(Cn2ccc(C(F)(F)F)n2)CC(=O)c2ccc3c(c2O1)CCCC3 587509257 RJUAXCMGJDMLCA-SFHVURJKSA-N 364.367 4.205 0 1 FIAF O=C(O)CCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529098 JCAYZMFYWSASJN-FQEVSTJZSA-N 350.414 4.289 0 1 FIAF COC(=O)Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533560 XDSVLQAXTSFGLZ-QGZVFWFLSA-N 356.443 4.049 0 1 FIAF CCCCn1nccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578821 BGFUZZXIMCLTST-GHTZIAJQSA-N 364.401 4.092 0 1 FIAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587726181 VULNFMCRIPJFMW-XYZCENFISA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3[nH]ncc3c2)N1 587799103 WGOKBSXYOAADAZ-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nc[nH]c3c2)N1 587801025 CFBXMLIIGMEUAP-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF Nc1cccc(Br)c1-n1c(O)cc(-c2cccc(F)c2)c1O 587934196 CWSWFHWDAYIQKY-UHFFFAOYSA-N 363.186 4.039 0 1 FIAF Cc1cc2c(n1-c1cnc(Cc3ccc(F)cc3)nc1)CC(C)(C)CC2=O 587946544 KXZNHIIFZWDYGK-UHFFFAOYSA-N 363.436 4.461 0 1 FIAF CN(C)C1([C@@H]2c3ccsc3CCN2Cc2cccn2C)CCCCC1 962398984 OTKHDMIJMSYDSG-FQEVSTJZSA-N 357.567 4.451 0 1 FIAF CC(C)(C)c1n[nH]cc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962700790 KMWDSYQYQYVLAX-ACJLOTCBSA-N 359.514 4.299 0 1 FIAF COc1cccc2cc3c(nc12)[C@@]1(CCCC=C1Br)NCC3 963047369 OJIJWIRGPUZSIY-SFHVURJKSA-N 359.267 4.047 0 1 FIAF CCOC(=O)Nc1ccc(NCc2cc(F)cc(C(F)(F)F)c2)nc1N 1772645121 RIZAEBSHZNDYRM-UHFFFAOYSA-N 372.322 4.002 0 1 FIAF O=c1ccc(-c2ccc3c[nH]nc3c2)cn1Cc1ccccc1C(F)(F)F 2382228968 HEBJJJVAANGHLJ-UHFFFAOYSA-N 369.346 4.459 0 1 FIAF COc1ccccc1-c1csc([C@@H](NC(C)=O)c2cccc(F)c2)n1 61908227 FXOLTCPCAUXHLM-SFHVURJKSA-N 356.422 4.183 0 3 FIAF CC(C)(C)c1noc(-c2ccoc2)c1C(=O)NCCc1ccc(F)cc1 775580 UGHGCDKSLMFQTP-UHFFFAOYSA-N 356.397 4.344 0 1 FIAF CSc1nc2c(c(=O)[nH]1)N=C(c1ccccc1)C[C@@H](c1ccccc1)N2 5503366 BVNFLIXAWRAJSD-INIZCTEOSA-N 362.458 4.170 0 1 FIAF CN(Cc1cccc(Cl)c1)C1CCN(C(=O)NCc2ccccc2)CC1 6750544 OPRKXLIPZZSQKX-UHFFFAOYSA-N 371.912 4.146 0 1 FIAF CCCCCC(=O)N1C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O 13680115 NIQKHMCJNAGXQF-IBGZPJMESA-N 350.418 4.303 0 1 FIAF CNCC[C@H](Oc1ccccc1I)c1ccccc1 13730747 SVWCZHHSRIZTQG-HNNXBMFYSA-N 367.230 4.021 0 1 FIAF COc1ccc(C(=O)Nc2c(F)cnc(F)c2F)cc1OC1CCCC1 13736997 LJNCJQDRDFAKJB-UHFFFAOYSA-N 366.339 4.081 0 1 FIAF COc1c(C)c(C)c(Br)c(N)c1C/C=C(\C)CCC(=O)O 13759772 VCXINDOTUYUYIX-WEVVVXLNSA-N 356.260 4.010 0 1 FIAF CN(CCC1CCN(CCc2ccccc2)CC1)C(=O)c1ccccc1 14946534 ZTLCXUGDRAFEJG-UHFFFAOYSA-N 350.506 4.103 0 1 FIAF CCc1c(Sc2c(Cl)cccc2Cl)[nH]c2nc(N)nc(N)c12 14967462 SRGKTOIHQXANLF-UHFFFAOYSA-N 354.266 4.143 0 1 FIAF CCOc1ccc(C[C@@H]2NCCc3c2[nH]c2ccccc32)cc1OCC 26670259 PCFCGPUNDNTVAW-IBGZPJMESA-N 350.462 4.395 0 1 FIAF COc1cccc(C(=O)[C@@](C)(NC(=O)c2cccc(OC)c2C)C(C)C)c1 27547632 ZDWVHARGTDKNRD-QFIPXVFZSA-N 369.461 4.040 0 1 FIAF COCc1cc2c(s1)CN(C)C[C@H]2c1ccc(Br)cc1 38157542 IIWILZXBPWXHAP-HNNXBMFYSA-N 352.297 4.234 0 1 FIAF O=C(Nc1ccccc1-c1nc2c(C(=O)O)cccc2o1)c1ccccc1 40862040 FIEWOUZYTHWIGD-UHFFFAOYSA-N 358.353 4.445 0 1 FIAF CCCC[C@H](CC)CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N 45322123 RUHXAUMJJVZGAI-SFHVURJKSA-N 363.505 4.304 0 1 FIAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC[C@@H](O)CO 66074164 NLBFVPKIMGBPGM-KKFOGOCZSA-N 353.547 4.269 0 1 FIAF NCCSC(c1ccccc1)(c1ccccc1)c1cccc(C(=O)O)c1 84597113 XTZAVZGYUCCXJK-UHFFFAOYSA-N 363.482 4.369 0 1 FIAF N=C(N)SCc1cccc2c1sc1c(CSC(=N)N)cccc12 84672272 PBSGJCSAGDEPIR-UHFFFAOYSA-N 360.533 4.308 0 1 FIAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2cnco2)c1 113769453 YJSNPJUURMHPEI-OAHLLOKOSA-N 350.418 4.082 0 1 FIAF O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccc(-c2ccccc2)cc1 113894397 HEXVNBQITIFOKU-FQEVSTJZSA-N 368.396 4.027 0 1 FIAF CC1(C)[C@@H]2CC[C@H](CN3CCC(N4C(=O)Cc5ccccc54)CC3)[C@H]1C2 169338769 VBVYMUJWPFCVLU-QWFCFKBJSA-N 352.522 4.112 0 1 FIAF CC1=NN=C(c2cc3ccc(F)cc3s2)c2cc3oc(=O)[nH]c3cc2C1 169703950 XQPUTZNKLUGXEA-UHFFFAOYSA-N 365.389 4.244 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(F)cc1)(C1CCOCC1)O2 587383874 HIMVIQJZRSNJQH-JOCHJYFZSA-N 369.436 4.090 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)(c1oc3ccccc3c1N)O2 587390645 PFHGXRZLZGJXPI-JOCHJYFZSA-N 374.396 4.408 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C(=O)O)cc3)o1)O2 587407564 CNQLGPPLIFDGBT-IBGZPJMESA-N 363.369 4.242 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1-c1ccccc1)CC2=O 587474705 HAFXWRATXUFJFM-HXUWFJFHSA-N 362.429 4.452 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(C)c(CO)c1C)CC2=O 587479575 CHFSLDSHUSXJOD-HXUWFJFHSA-N 354.446 4.469 0 1 FIAF CCCn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587582786 RALHBZNDUMADEG-RXVVDRJESA-N 364.401 4.010 0 1 FIAF Cc1ccnc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587589400 VLAMONPLQPXSTR-UGKGYDQZSA-N 361.397 4.059 0 1 FIAF CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595650 LMXUIAAQBRONOO-UGKGYDQZSA-N 362.381 4.494 0 1 FIAF C[C@@H]1CC(C)(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587605300 YRPQCUCJDJGYIN-LEXZLQQCSA-N 366.413 4.118 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2F)N1 587721452 VUHAMAQTMKAXNR-PWJLMRLQSA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(O)ccc2F)N1 587722741 ZVLFLBKODBEJNS-VVVCHXIZSA-N 368.221 4.231 0 1 FIAF CC(C)Cn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587760972 RMKSDFDOKDIHOE-DIFFPNOSSA-N 366.278 4.064 0 1 FIAF CCc1cnccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587772672 FVBSWNPFOSNYCE-ZMZPIMSZSA-N 363.274 4.343 0 1 FIAF CO[C@]1(C)C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587807912 FDMBPHBBKARKRD-LWNYNHHKSA-N 356.279 4.153 0 1 FIAF CS(=O)(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587961098 IWRWLRKBEOGPMV-UHFFFAOYSA-N 362.454 4.224 0 1 FIAF COc1ccccc1[C@@]1(c2ncco2)c2c(F)cccc2C[C@@H]2CCCN21 963095682 CZPYFTXSDVZHMC-AOMKIAJQSA-N 364.420 4.135 0 1 FIAF C[C@@]1(CC(=O)Nc2ccccc2F)c2c(F)cccc2C[C@@H]2CCCN21 963105509 MRGTWYLHIPVWBJ-YCRPNKLZSA-N 356.416 4.229 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(OC)c(OC)c1N 963227679 KFZHZKKOYQJEIP-QRQCRPRQSA-N 354.494 4.206 0 1 FIAF Cc1c(S(=O)(=O)Nc2cccc(CN)c2)sc2ccc(Cl)cc12 1237676372 OMVVAHZLDYMIPY-UHFFFAOYSA-N 366.895 4.123 0 1 FIAF CO[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@@]12C 2356441671 AKWYEFNEYNPFKW-AZVDKKQPSA-N 360.450 4.402 0 1 FIAF COc1cccc(-c2c(O)c3ccccc3oc2=NC(=O)c2ccco2)c1 2356876516 ZLJDCPMYDBWWJH-UHFFFAOYSA-N 361.353 4.148 0 1 FIAF Cc1c(-c2ccc([C@H](C)N)cc2)ccc2c3ocnc3c(=O)n(C3CC3)c12 2382247299 SRLGQNFTBJIZTE-ZDUSSCGKSA-N 359.429 4.473 0 1 FIAF CC(=O)Nc1ccc(OCc2nnc(SCc3cccc(F)c3)o2)cc1 2382251574 YXIXZTGLNRWWGS-UHFFFAOYSA-N 373.409 4.038 0 1 FIAF Cc1c(C(=O)N2CCCCCC2)sc2ncnc(N3CCCC[C@@H]3C)c12 2924270 TZEQMYYUGOFPRY-AWEZNQCLSA-N 372.538 4.395 0 1 FIAF Cn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(=O)[nH]c3ccccc3c21 4930616 UVMGRMDCESYIGS-UHFFFAOYSA-N 369.783 4.065 0 1 FIAF O=C(O)CCNCCCc1ccc(OCCCCCc2ccccc2)cc1 13980611 LXQCLILJSSCULX-UHFFFAOYSA-N 369.505 4.475 0 1 FIAF CCCCCC(=O)N1CC[C@H](CC(=O)NC2CCCCC2)[C@@H](CC)C1 25428234 YUSNJYZODMBBNA-ZWKOTPCHSA-N 350.547 4.280 0 1 FIAF biogenic CC(C)c1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(C)CC1 27988304 PPFGKVZLKAVSHF-UHFFFAOYSA-N 358.486 4.393 0 1 FIAF Cc1c(-c2cccs2)nc(OC[C@H]2CCCN2)nc1-c1cccs1 28525577 BJZDSGRSAQTUDP-CYBMUJFWSA-N 357.504 4.373 0 1 FIAF COc1ccc2c(c1)N(C)C(=O)C21CCN(CC2CCCCCCC2)CC1 28528325 GUMZENWKNYMHPS-UHFFFAOYSA-N 370.537 4.366 0 1 FIAF Cc1cc(N(C)C(=O)C(F)(F)F)cc(OCc2cccc(Cl)c2)n1 28572282 OGMQHYBYMHHQNS-UHFFFAOYSA-N 358.747 4.148 0 1 FIAF Cc1cc(-n2nc3c(cnc4ccccc43)c2O)c(Br)s1 29463616 BMVQWTKSLDCXLJ-UHFFFAOYSA-N 360.236 4.412 0 1 FIAF Cc1nc(-c2ccccc2)n(C)c1CC(=O)NCc1ccc(F)cc1Cl 49072885 OXEPSZPAOYMVFH-UHFFFAOYSA-N 371.843 4.047 0 1 FIAF COc1ccc(Oc2cc(NC[C@H]3CCCO3)ncn2)c2ccccc12 82067875 BEXSOQGZKPUWJX-CQSZACIVSA-N 351.406 4.022 0 1 FIAF O=C(NCc1cc(-c2ccc(Br)cc2)no1)c1ccccc1 95555580 NERXQFPCAPEIQJ-UHFFFAOYSA-N 357.207 4.034 0 1 FIAF CCCOc1ccc(N2CC(Oc3ccc([C@@H](C)CC(C)=O)cc3)C2)cn1 96172839 MRHFKWOAUMBYFN-INIZCTEOSA-N 368.477 4.221 0 1 FIAF CC(=O)O[C@@H]1C[C@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]2C[C@@H]3[C@H]4C[C@@]21C[C@@]34C 101668685 GTVZKXBUEWHMES-ZEDLGEBWSA-N 360.494 4.272 0 1 FIAF CC(C)O[C@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 103173639 BWDXPLJDQZGNMP-SFHVURJKSA-N 350.447 4.054 0 1 FIAF Nc1ccc(-c2ccc3c(c2)CNC[C@@H]3c2ccc(Cl)c(Cl)c2)nn1 114512943 ZNELUNAFGGGGOF-OAHLLOKOSA-N 371.271 4.268 0 1 FIAF C[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12C=C(O)C(=O)O2 135705096 WXKINGCYMWMSHZ-AVIIFFOXSA-N 362.510 4.374 0 1 FIAF CCOc1cc2c(cc1O)C[C@@H](N=O)C[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 169716436 TWEVBMCEBNPRTH-KDGNYSLZSA-N 359.466 4.143 0 1 FIAF C[C@H]1CNC(=O)c2cc(-c3cccc4ncc(Nc5ccccc5)nc34)[nH]c21 222332323 OFVSBWPTAOVFMJ-ZDUSSCGKSA-N 369.428 4.215 0 1 FIAF COc1ccc(Cc2nc3cc(Br)c(F)cc3[nH]2)cc1OC 316518438 ODTBPLWFXUGLSN-UHFFFAOYSA-N 365.202 4.073 0 1 FIAF C[C@@]12CC3CC(NC(=O)NCc4cc(-c5ccco5)on4)(C1)C[C@](C)(C3)C2 473154429 HLHCDHTYXJTYSC-DELCKGKKSA-N 369.465 4.483 0 1 FIAF O=C(c1ccccc1)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 586909655 ZWPOYZCOURPYDA-INIZCTEOSA-N 370.408 4.375 0 1 FIAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cnncc2[nH]1 586981785 DZDAFQQAHWWCRP-ZDUSSCGKSA-N 359.271 4.488 0 1 FIAF COc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1F 587007168 MZEIVNVLIUNOHL-UHFFFAOYSA-N 361.174 4.016 0 1 FIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 587048118 DTUDHZUZEWPQDV-UHFFFAOYSA-N 369.812 4.060 0 1 FIAF Cc1c(Br)ccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c12 587245415 YCRUYBRMJVHLFE-KTKRTIGZSA-N 356.223 4.286 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1cc(Cl)cnc1Cl)O2 587379284 HKXXDCWISZUNRE-KRWDZBQOSA-N 351.233 4.246 0 1 FIAF CCCC[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453487 OWTAMGGVRFKQJX-ZHRRBRCNSA-N 366.413 4.257 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-n1ccnc1)CC2=O 587470260 JSTFFOGAOGREEK-JOCHJYFZSA-N 362.429 4.411 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cccc(NC(C)=O)c31)CC2=O 587470448 NHJAWHWEFJIUPN-JOCHJYFZSA-N 365.429 4.110 0 1 FIAF CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)ccc21 587499461 JLWIKXUFLKUTQF-NRFANRHFSA-N 367.832 4.056 0 1 FIAF O=C(O)CC[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587531794 MGJJFDQAUIBTQA-HXUWFJFHSA-N 356.443 4.352 0 1 FIAF CC1(C)C[C@]2(C)O[C@@H]2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587609547 NJMDFHKUHXJPSM-JJJJLYANSA-N 366.413 4.070 0 1 FIAF CC(C)CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656841 RJVHIEQFOQEVQF-UHFFFAOYSA-N 356.372 4.418 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(C)c3ccccc23)N1 587762476 FJIKUQAOBNPNFO-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc3cnccc23)N1 587780249 ZOCUUGHKDBUVHC-MGNBDDOMSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c[nH]nc3c2)N1 587799046 VYZSUCBQMMGZOQ-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3nccc-3c2)N1 587800110 AAVDEOMEGGKXGN-MGNBDDOMSA-N 374.257 4.214 0 1 FIAF Cc1c[nH]c2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 587800131 AFKRDUOFKNUWFD-BTDLBPIBSA-N 374.257 4.397 0 1 FIAF CCSC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587848553 XNCYAQAQZKCPHN-BJOHPYRUSA-N 360.292 4.007 0 1 FIAF COc1ccc(NC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(OC)c1 587875992 XJBAFVXYOTUHQK-UHFFFAOYSA-N 355.325 3.892 0 1 FIAF CC(C)Cn1ccnc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962715294 SZFNFQIQNRIZSS-DNVCBOLYSA-N 359.514 4.131 0 1 FIAF C[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C[C@@]12NC[C@H]1CC(=O)N(C)c3cccc2c31 963029192 POOKGXJUZYDWEF-GZHIDJEZSA-N 350.506 4.027 0 1 FIAF OCCCn1nc(SCc2ccccc2)nc1-c1cc2ccccc2[nH]1 1772619555 REIKOQQGGIHOQW-UHFFFAOYSA-N 364.474 4.101 0 1 FIAF CCN=c1[nH]nc(Cn2c(-c3ccc(Cl)cc3)nc3ccccc32)s1 1857554273 ILIXUXYQEBNBFD-UHFFFAOYSA-N 369.881 4.110 0 1 FIAF Cc1cc(O)c(Oc2ccc(C=CC(C)C)c(O)c2C(=O)O)c(CO)c1 2356718741 FQHVDLXMHXCBHH-UHFFFAOYSA-N 358.390 4.058 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@@H]1C3 4166188 PTGGVIKFNQSFBY-LKTUSTNOSA-N 358.478 4.210 0 3 FIAF in-vitro C[n+]1nc(Nc2cccc3ccccc23)sc1-c1ccc(C(=O)O)cc1 12510179 CWPNOYCFHQLRHY-UHFFFAOYSA-O 362.434 4.230 0 3 FIAF CCC[C@H]1[C@@H](NC(=O)C2CCCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712452 AUKQWDJRIJQTSY-QTDGGUCWSA-N 374.569 4.423 0 3 FIAF C[C@@H]1C[C@@H](C)CN([C@H](CCc2ccccc2)C(=O)NC2CCCCC2)C1 263590906 CVCXZAHQAPPXNX-WOIUINJBSA-N 356.554 4.415 0 3 FIAF Cc1cc(CC(=O)O)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 3814349 BEGJKQPWVJRBPU-UHFFFAOYSA-N 351.349 4.240 0 1 FIAF COc1ccc2c(c1)CCC[C@@H]2CN(C)CCc1ccc2c(c1)OCO2 13761391 KPQSBSMTIXJNED-GOSISDBHSA-N 353.462 4.018 0 1 FIAF O=C(O)c1ccc2c(c1)[C@H]1CCN[C@@H](Cc3cccc4ccccc34)[C@H]1N2 26669398 FPRFIUYLFZQUHW-COPCDDAFSA-N 358.441 4.020 0 1 FIAF Cc1ccccc1-n1cccc1CN1CCN(c2noc3ccccc23)CC1 28124318 VRFFRTURLDBNCZ-UHFFFAOYSA-N 372.472 4.249 0 1 FIAF CCCCn1c(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n[nH]c1=S 28523907 HEMFTCBMYMDZTA-UHFFFAOYSA-N 373.503 4.241 0 1 FIAF O=C(O)CC1=C(c2ccc(Cl)cc2)N=C(S)N[C@@H]1c1ccccc1 29466781 UEJLKEMHJOUWHY-MRXNPFEDSA-N 358.850 4.156 0 1 FIAF Cc1cccc(NC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 45253440 MWRUGDQOZGBGPX-UHFFFAOYSA-N 370.412 4.148 0 1 FIAF Fc1ccc(N2CCN(c3nccc(-c4c[nH]c5ccccc45)n3)CC2)cc1 72109744 BZRCPNHODFSVAV-UHFFFAOYSA-N 373.435 4.091 0 1 FIAF C=CC1=C(C(=O)Nc2ccc(OCC)cc2)[C@@H](c2ccc(OC)cc2)OC1 82157857 UMJBVNWXGIBYBR-OAQYLSRUSA-N 365.429 4.287 0 1 FIAF CC1(C)Oc2cc(C(=O)c3ccsc3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84704701 SADNNJWOIPPNEL-RBSFLKMASA-N 358.459 4.100 0 1 FIAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccncc1 100705068 MNIWFLGBEGPOAL-ZDUSSCGKSA-N 368.462 4.149 0 1 FIAF CC[C@H]1[C@@H]2[C@H]3Cc4ccc(O)cc4[C@]2(CCN3CC2CCC2)CC(=O)[C@@H]1C 102209917 QFHHXPQTADJUKH-YQUYRBCTSA-N 367.533 4.312 0 1 FIAF Cc1ccc(F)cc1NC(=O)NCCNc1ccnc2c(F)cc(F)cc12 103179523 GEWDCJZXSGAZTB-UHFFFAOYSA-N 374.366 4.194 0 1 FIAF O=C(Nc1ncnc2nc(-c3c(Cl)cccc3Cl)sc12)C1CC1 114601600 ODQGHVXCUOKZEA-UHFFFAOYSA-N 365.245 4.409 0 1 FIAF CCCn1c(Oc2cccnc2Cl)nc2nc(C3CCCC3)[nH]c2c1=O 117456282 SODZKTNLMCRZJK-UHFFFAOYSA-N 373.844 4.028 0 1 FIAF O=C(Nc1ccccc1)N[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169324223 POAZDHDULAOKDH-JXFKEZNVSA-N 360.461 4.051 0 1 FIAF O[C@@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(Cl)cc12 169334688 IRZLLAIFHYKOPG-NHYWBVRUSA-N 358.791 4.473 0 1 FIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2)C1 261129699 KWGIXLKUUUKGLB-WPMOZGMCSA-N 367.537 4.124 0 1 FIAF O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)n1nnc2ccccc21 299829382 JTICOIJOFVRANJ-LJQANCHMSA-N 362.820 4.432 0 1 FIAF Cc1cc(NCc2c(F)ccc(F)c2Cl)c2cccc(C(N)=O)c2n1 473094019 UXMBUALLBSVFNJ-UHFFFAOYSA-N 361.779 4.186 0 1 FIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc3nc(C)ccc3c2[nH]1 586882421 SINXSRMKXQCMDD-UHFFFAOYSA-N 357.413 4.348 0 1 FIAF CC[C@]1(C)C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 586887225 FPFAWEQIMNUALH-PWCHPLFNSA-N 361.614 4.120 0 1 FIAF Oc1ccccc1C1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 586897286 YSIRWCHTNLMLRC-UHFFFAOYSA-N 369.293 4.398 0 1 FIAF Cc1c(-c2cnn(C)c2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987208 LGPJQHBWMJFNDB-UHFFFAOYSA-N 355.397 4.169 0 1 FIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cnc(Cl)cc3[nH]2)s1 587023028 IGSAXSQEIZESMC-UHFFFAOYSA-N 351.819 4.082 0 1 FIAF OCCc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077441 TWHVSYVTGYEXTO-LJQANCHMSA-N 355.869 4.088 0 1 FIAF N=C(N)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587149898 OGCCPEOZWGEQFK-IBGZPJMESA-N 359.408 4.188 0 1 FIAF CC(C)(C)[C@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587257988 SNKRUKRZSVPQSZ-SNVBAGLBSA-N 350.182 4.390 0 1 FIAF COc1ccc(C(F)(F)F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587382017 MLXMRLNAWYZQHA-MRXNPFEDSA-N 351.324 4.311 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4Cl)no1)[C@@H](C2)C3=O 587418019 GLJXYDSKCGDZST-RBZFPXEDSA-N 367.788 4.492 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1Cl 587544795 OAIYNVVMHSKNJF-UZLBHIALSA-N 368.772 4.454 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(F)cccc12 587571627 QYKBSBCMEQIODT-KNQAVFIVSA-N 362.356 4.335 0 1 FIAF O=Cc1sc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572541 VVDIAOOPSNTYGT-LPHOPBHVSA-N 370.357 4.108 0 1 FIAF Cc1cccc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn12 587590637 ZLXLDFIWGGEFSY-DENIHFKCSA-N 372.380 4.051 0 1 FIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587600727 PNVHFALRLXSJBW-KNQAVFIVSA-N 362.381 4.412 0 1 FIAF Cc1cccc(N)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587750840 VBYHPDZNDMNPOG-ZMZPIMSZSA-N 363.274 4.277 0 1 FIAF CCCn1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587762103 DHUDNOMHYRWILU-BMLIUANNSA-N 366.278 4.127 0 1 FIAF COc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(OC)c1C 587787790 OXNJZODMPNUFLB-UHFFFAOYSA-N 352.312 4.454 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C2(C)CC2)N1 587815921 RGBUVOPKLTZYTF-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF Cc1cc2c(cc1F)[C@H](C1CC3(CCN(C(=O)OC(C)(C)C)C3)C1)NCC2 962088819 GSURTWOGGAXCPK-UEUGHCDMSA-N 374.500 4.358 0 1 FIAF COC(=O)c1csc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c1 962993531 CDWQRYBZLBGFKV-SFHVURJKSA-N 370.499 4.139 0 1 FIAF COC(=O)c1ccc(OC/C(C)=C/CC/C(C)=C/COC(C)=O)cc1F 1857760178 OKLOUGUWRCEIJX-SADFVUDUSA-N 364.413 4.227 0 1 FIAF CC(=O)OC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]21C[C@@H](c2ccoc2)O[C@H]1O 2356330190 PMNBYUWBDASBNA-OSIYDRLKSA-N 360.450 4.339 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@@]2(C)CO 2356461880 WZZRZMFFZNXNGP-MNVIUDHYSA-N 364.526 4.018 0 1 FIAF CO[C@@H]1C=C(CCC[C@H](C)C=C[C@H]2C(C)(C)CCC[C@@]2(C)O)C(=O)O1 2356578120 GDBZCCRSKXSHMI-QUJKESNLSA-N 350.499 4.382 0 1 FIAF CC=C(C)[C@H](O)[C@@H](C)C=C(C)C=CC=CC=CC=C(C)C(=O)N[C@@H](C)CO 2356698879 SJFXXCHPVOUCOT-FKBYEOEOSA-N 373.537 4.008 0 1 FIAF O=c1nc(-c2ccccc2)n2n(Cc3ccccc3)c(O)c3ccccc3c1-2 12485383 VXDSZGGZRDXGPF-UHFFFAOYSA-N 367.408 4.046 0 3 FIAF C[C@]1(C(=O)Nc2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 61898199 GVTFPKCNFUYUHJ-HXUWFJFHSA-N 368.864 4.001 0 3 FIAF C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(C(=O)O)c2)cs1 61928283 ZQEZRLPMMKHBSC-SFHVURJKSA-N 361.369 4.042 0 3 FIAF C=C1CC[C@@H]2C(=O)O[C@@H](c3ccoc3)C[C@@]2(C)CC=CC=C1C(=O)OC 1651244 LXCZVMFGPWLGIO-DBXWQHBBSA-N 356.418 4.286 0 1 FIAF biogenic CCOC(=O)c1oc2cccc(OCCCOCc3cccnc3)c2c1C 5844580 BFCSTSHTHQARHU-UHFFFAOYSA-N 369.417 4.299 0 1 FIAF C[P@](=O)(O)[C@@H](CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O 13742076 VGENPYWOFIUGGK-QGZVFWFLSA-N 368.306 4.080 0 1 FIAF O=C(c1c(O)[nH]c2cc(Cl)ccc2c1=O)c1csc2ccccc12 13775702 ZAFQETJEDAJANY-UHFFFAOYSA-N 355.802 4.333 0 1 FIAF CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2ccccc23)CC1 14977277 MBFGHZKIZWCJIA-UHFFFAOYSA-N 354.538 4.207 0 1 FIAF C[C@H](CF)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N(C)C2 27721731 ZSLWUVZDXDAKIP-KQIDPQQZSA-N 353.865 4.055 0 1 FIAF C[S@@](=O)CC1=C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3 40568257 VRYURYQDHUXPRA-MIJVLHBGSA-N 364.551 4.399 0 1 FIAF COc1cc(-c2noc(-c3ccncc3)n2)ccc1OCc1ccccc1 43068911 NKFSMXBBCYRWJY-UHFFFAOYSA-N 359.385 4.386 0 1 FIAF COC(=O)Nc1cc2c(cc1OC)[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2 49116128 VKHBFHRCOFZIEB-AYHJQLAQSA-N 359.466 4.091 0 1 FIAF C[C@H](C(=O)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 72104648 SXZYCRORGALMIH-UXJQAVHOSA-N 361.526 4.187 0 1 FIAF c1cnc(NCc2ccc(CNc3ccc(N4CCCC4)cc3)cc2)nc1 72110049 PUWHQHGXDMGERR-UHFFFAOYSA-N 359.477 4.301 0 1 FIAF O[C@H](CNc1cc(-c2cccc(C(F)(F)F)c2)ncn1)c1ccccc1 103260524 GJLUUROODWWIPG-QGZVFWFLSA-N 359.351 4.308 0 1 FIAF C[C@H](N)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 150288223 VYWUGVXYGTXCQZ-NSHDSACASA-N 350.443 4.005 0 1 FIAF COc1ccc([C@@H]2CC[C@H](NC(=O)Nc3cccc4[nH]ncc34)C2)cc1 169704898 WKYAYIGRLGYSBA-CABCVRRESA-N 350.422 4.029 0 1 FIAF CC(C)[C@H](CO)NCc1nc(-c2cccc(C(F)(F)F)c2)ccc1F 204415849 SRVNSBCMPQTMBG-KRWDZBQOSA-N 356.363 4.013 0 1 FIAF NCC[C@@H]1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21 207248825 BVWMTYDPXCWJOP-QGZVFWFLSA-N 365.864 4.109 0 1 FIAF Fc1ccccc1-c1cnc2ncn(Cc3ccc4ncccc4c3)c2n1 222107829 KXKJJTRMNHZLMO-UHFFFAOYSA-N 355.376 4.229 0 1 FIAF Cc1cc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2cc1Br 586906313 LALDEHIIOKRQRN-NVNXTCNLSA-N 355.191 4.302 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 586918587 ZBLZZHCWGRGZMD-WLRWDXFRSA-N 360.335 4.197 0 1 FIAF Cc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1F 587002924 QGGXZVRLLZBATP-UHFFFAOYSA-N 373.229 4.365 0 1 FIAF COc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1OC 587021351 ITVTWTLOTZUXSP-UHFFFAOYSA-N 351.431 4.294 0 1 FIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(F)c(F)cc2[nH]1 587041763 DYCWULOLAIEETK-AWEZNQCLSA-N 365.792 4.150 0 1 FIAF Clc1cnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1Cl 587042685 VYAIHHHKSKNHDR-NWDGAFQWSA-N 365.289 4.211 0 1 FIAF O[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccccc1Cl 587059675 TZZSDDVKXFAQKL-LLVKDONJSA-N 373.037 4.109 0 1 FIAF O=C1CCc2cc3nc(Cn4ccc5ccc(Cl)cc54)[nH]c3cc2N1 587080965 WCDKZBMZUCWIPD-UHFFFAOYSA-N 350.809 4.104 0 1 FIAF Cc1cnc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2c1 587165954 IUYCOQYDMNYBAF-UHFFFAOYSA-N 363.421 4.372 0 1 FIAF CC(C)[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356557 KDKQJUZEUDOSFE-VWPQPMDRSA-N 370.420 4.464 0 1 FIAF COc1ccc(C(F)(F)F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587382016 MLXMRLNAWYZQHA-INIZCTEOSA-N 351.324 4.311 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1cc3ccccc3o1)O2 587392890 WUDDAIMRQRDMTR-LJQANCHMSA-N 373.412 4.430 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3C(=O)O)o1)O2 587414041 VDRGYJXPAOKAPE-IBGZPJMESA-N 363.369 4.242 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)N(C)C)CC2=O 587469245 LQPMAYUGXBSTBH-QRQCRPRQSA-N 353.462 4.156 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(O)c(OC)c1)CC2=O 587477632 HSIGQPPHTACPGI-QFIPXVFZSA-N 370.445 4.416 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1CC(=O)OCC)CC2=O 587485454 WPADOSKCPIJLBO-LHSJRXKWSA-N 360.450 4.192 0 1 FIAF Cc1csc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587610382 FPRMHYDWNDNIFE-KXBFYZLASA-N 353.399 4.034 0 1 FIAF CC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587612730 MSGWMILCQSZTJW-YLJYHZDGSA-N 366.394 4.359 0 1 FIAF CSC[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587704332 IQQBIDMXBPBIMD-MADCSZMMSA-N 372.225 4.243 0 1 FIAF Cc1ccncc1CC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587775650 SSOWKTIRUIHYEV-KZULUSFZSA-N 363.274 4.500 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccccc2)N1 587796683 UKKSVZGSUFUTLW-XIKOKIGWSA-N 364.258 4.417 0 1 FIAF Cc1cccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n[nH]c12 587798677 VCPYXBMKFSAHBX-YPMLDQLKSA-N 374.257 4.397 0 1 FIAF Cc1ccc(O)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587833496 NXCGNLVNJFWQRK-DYZYQPBXSA-N 350.231 4.226 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)s2)N1 587846547 ICHPVZTZESXYAU-ANRSDYALSA-N 354.244 4.086 0 1 FIAF CCc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587851538 CGFYQUDRXOUMRT-AYVTZFPOSA-N 355.276 4.231 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sccc1Cl 587872098 HBJVVXQWVZPHII-UHFFFAOYSA-N 350.802 4.491 0 1 FIAF N=C(N)NCCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 653782766 UUGGVMHRXDFJKH-UHFFFAOYSA-N 361.276 4.022 0 1 FIAF Cc1ccc(C)c([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1 962706920 JWGJUNSPAMUZFP-IRXDYDNUSA-N 367.342 4.150 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCOc3c(F)ccc(F)c32)N1 962944769 FEYSAROXEWYQDG-QKVFXAPYSA-N 354.400 4.397 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c(F)c(F)c(F)c(F)c1F 963603271 CBTNQOLZLDIRLS-ULCDLSAGSA-N 373.321 4.023 0 1 FIAF Cc1nc(-c2cccc3ccccc23)sc1C(=O)N1CCC(CO)CC1 1772652425 OZMVYBUWNRHUPA-UHFFFAOYSA-N 366.486 4.116 0 1 FIAF CC=CCCCCCC=CC=CC(=O)OC[C@@H](CO)OC(=O)C=C(C)C 2356449147 CKQLGVTXGIJASM-LJQANCHMSA-N 364.482 4.039 0 1 FIAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@H](C)[C@@]12C 2356764850 QFRZIEHLMQVWOP-GEXCINKBSA-N 360.450 4.138 0 1 FIAF CC(C)=CCc1c(O)c(C)c2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 602542 DBAAXPIMQWCLHT-QGZVFWFLSA-N 354.402 4.327 0 1 FIAF biogenic O=C1Cc2ccccc2N1C1CCN([C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 13561285 IFUDRLSXETXJHT-UEXGIBASSA-N 352.522 4.399 0 1 FIAF COc1c2c(cc3c1[C@H](OC)[C@H](O)[C@@H](c1ccccc1)O3)OC(C)(C)C=C2 14885795 GCEYXEPIXWDBIE-SBHAEUEKSA-N 368.429 4.062 0 1 FIAF biogenic CN1CCN(C2=Nc3ccc(C(F)(F)F)cc3Nc3cscc32)CC1 27996068 VDXRGSIYNPUVQC-UHFFFAOYSA-N 366.412 4.150 0 1 FIAF Cc1cccc(Cl)c1S(=O)(=O)N[C@@H](C)Cc1c[nH]c2ccccc12 28820577 SEVDQAFWIZJRNN-ZDUSSCGKSA-N 362.882 4.039 0 1 FIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)CC3=O 29133356 KLWSFYNEUJORRI-NSHDSACASA-N 354.402 4.283 0 1 FIAF Cc1ccccc1N1C[C@H](c2nc(-c3cccc(Cl)c3)no2)CC1=O 38911858 DTAYUTKRKXGTFH-CQSZACIVSA-N 353.809 4.219 0 1 FIAF Cc1ccc(-c2csc(COc3ccc(OCC(=O)O)c(C)c3)n2)cc1 49047645 NJYSMUMXHUIKGZ-UHFFFAOYSA-N 369.442 4.469 0 1 FIAF Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(C(F)(F)F)nc2n1 73314614 OFUZRRSLIRZBNG-UHFFFAOYSA-N 361.249 4.214 0 1 FIAF COc1ccccc1CNc1ncc(-c2ncc(C)o2)c(-c2ccco2)n1 82166222 XTNJFBVXOSNKON-UHFFFAOYSA-N 362.389 4.321 0 1 FIAF COCCOc1cc(-c2c(C)noc2C)cc([C@H](O)c2ccccc2)c1 95590542 ZYSXDENDCMWKPK-OAQYLSRUSA-N 353.418 4.065 0 1 FIAF O=C1NC[C@H](c2ccc(-c3ccccc3)cc2)N1c1ccn2ccnc2c1 96168041 BUMRXYOROJIKJT-HXUWFJFHSA-N 354.413 4.272 0 1 FIAF COc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccccc1F)S3 98082443 FZGKNJFOCYFATP-UHFFFAOYSA-N 352.394 4.290 0 1 FIAF COc1cccc2c1[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 100620718 YEFMXZXPHZARAI-ICSRJNTNSA-N 360.457 4.288 0 1 FIAF CO[C@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 100878423 DRRFJWRBSWXNFW-MHTWAQMVSA-N 373.443 4.321 0 1 FIAF COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(CC(=O)O)cc3)ccc2c1 103189984 APWAKPSEYHWMHY-CQSZACIVSA-N 363.413 4.218 0 1 FIAF CC(C)[C@H]1[C@@H](C)OC(=O)N1c1nc(N[C@@H](C)c2ccccc2)ncc1F 142101693 NSCULTIMGJRHQA-ZENOOKHLSA-N 358.417 4.159 0 1 FIAF Nc1nc(-c2ccccc2)nc2n[nH]c(Nc3ccc(C(F)(F)F)cc3)c12 145396703 HYUDDHSPJFCULQ-UHFFFAOYSA-N 370.338 4.365 0 1 FIAF CC1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4n3)cc2)CC1 221063610 RILSBZPNOPMVSY-UHFFFAOYSA-N 374.440 4.292 0 1 FIAF Cc1cc(Br)cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc12 586916573 JAZGDEBDJWLHOA-UHFFFAOYSA-N 355.191 4.407 0 1 FIAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc3c(c2[nH]1)CCCC3 586983812 JIDYKUHSZBKYSF-MRXNPFEDSA-N 370.294 4.447 0 1 FIAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587028603 UDDCBUCAAMGSJJ-UHFFFAOYSA-N 364.409 4.315 0 1 FIAF CC(=O)c1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587217772 FRTPHJAJZJKWIO-NRFANRHFSA-N 369.424 4.285 0 1 FIAF COC[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344530 CZZOVWJTKKPKKS-TZIWHRDSSA-N 356.393 4.076 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cccc(Br)c31)O2 587371229 JQJAWSIFNCBYLW-GOSISDBHSA-N 358.235 4.147 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(=O)O)c1Cl)CC2=O 587459126 BVGRYRKVCAZWPT-MRXNPFEDSA-N 360.793 4.403 0 1 FIAF C[C@H](Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(=O)O 587520526 DWENZNXXOOUXTD-RNODOKPDSA-N 366.413 4.124 0 1 FIAF Cc1ncsc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616768 GREOTWPYJPLXKN-KXBFYZLASA-N 353.399 4.034 0 1 FIAF COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587730146 WVRZYWRQLXNDKG-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF CCCCn1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587766717 WOCIBZNDZCCGHZ-GTNSWQLSSA-N 366.278 4.208 0 1 FIAF CC(C)[C@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587817136 IWNRLNRMZFVOJS-SUFBMKPHSA-N 368.290 4.343 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)OC2(C)C)N1 587829372 CABDZVWLKKRRNH-DYZYQPBXSA-N 356.279 4.295 0 1 FIAF CC[C@]1(c2cccc(O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587832562 JXUTZUPRPKUPFK-BBATYDOGSA-N 364.258 4.482 0 1 FIAF COc1cccc2cc3c(nc12)[C@@](Cc1ccccc1F)(C1CC1)NCC3 963050721 CUQHMPHFKKOVAV-HSZRJFAPSA-N 362.448 4.376 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)Cc1ccc(F)cc1Cl 963629498 BFROQCIKFGYEGE-YUNKPMOVSA-N 363.860 4.488 0 1 FIAF Fc1cc2nc(-c3cccc(N4CCc5ccccc5C4)n3)[nH]c2cc1F 1857583488 OBIWUPGOOAEEHR-UHFFFAOYSA-N 362.383 4.466 0 1 FIAF CC(=O)Nc1ccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)cc1 1857610938 UYXPJDOHPAGNQC-UHFFFAOYSA-N 360.392 4.085 0 1 FIAF CN1C(=N)N[C@@](c2ccc3ccccc3c2)(C23CC4CC(CC(C4)C2)C3)C1=O 1911580476 PEZCYCNZDMTLLQ-JJHVHIABSA-N 373.500 4.248 0 1 FIAF COCC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)OC 2356463221 STFTTZAROIHWSM-PNSRMYRDSA-N 366.542 4.362 0 1 FIAF CCCCN(CC)CCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1 4908774 NSUTZYWPPSGRMD-UHFFFAOYSA-N 373.884 4.486 0 3 FIAF COc1cc(-c2cc(=O)c3c(O)c4c(cc3o2)OC(C)(C)C=C4)ccc1O 13383660 NTKOJTKKDRUJDE-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF biogenic COc1c2c(c3ccoc3c1OC)O[C@@H](c1ccccc1)[C@@H](OC)[C@@H]2OC 13480418 CJDWWGLVOLCWPW-QKYXUNIQSA-N 370.401 4.286 0 1 FIAF COc1ccccc1/C=C/C(=O)Nc1ccc(-c2cnco2)c(OC)c1 13818712 VFGJGRZUOZEJBZ-JXMROGBWSA-N 350.374 4.011 0 1 FIAF COc1cccc(C(=O)N[C@@](C)(C(=O)c2cccc(C)c2)C(C)C)c1C 27547641 KZNIYXXRSCKTRG-JOCHJYFZSA-N 353.462 4.339 0 1 FIAF CO[C@@H]1C[C@@H]2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 27979596 DRRFJWRBSWXNFW-DOIPELPJSA-N 373.443 4.321 0 1 FIAF CC(C)(C)c1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(C)(C)C)c1 28863955 AOYDJWQSPYRGAM-MLHJIOFPSA-N 373.493 4.098 0 1 FIAF CCCCOC[C@H]1O[C@@H](CCC)[C@H](O)[C@@H](OCCCC)[C@H]1OCCCC 28900838 CHYSBALTZIVSGB-HGJUEJDCSA-N 374.562 4.102 0 1 FIAF C/C=C/c1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)O2 34506419 QLUCOUQWVFZTNA-JWUJALBPSA-N 372.417 4.352 0 1 FIAF Cc1ccc(C(=O)NC2CCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1 40918209 RPNGVORGBYYVHT-UHFFFAOYSA-N 362.473 4.084 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc(C(F)(F)F)cc1 100018885 HSFKHBCFEZQMJN-XERWBJCMSA-N 369.339 4.127 0 1 FIAF CCc1nc(Nc2ccc(C(=O)O)cc2)nc(-c2ccc(Cl)s2)n1 143392029 WFNMVNPOFWVWOM-UHFFFAOYSA-N 360.826 4.258 0 1 FIAF O=S1(=O)Nc2c(ccc3cccnc23)-c2ccc(C(F)(F)F)cc21 143749461 XYWVVBIKUDVCCU-UHFFFAOYSA-N 350.321 4.035 0 1 FIAF CC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1 145377214 FLPSOVPOQWHOJV-UHFFFAOYSA-N 351.435 4.118 0 1 FIAF COC(=O)c1cc2[nH]c(-c3cccc(-c4ccc(O)cc4)c3)nc2cc1OC 586899055 WKRAPXNPASGSNS-UHFFFAOYSA-N 374.396 4.398 0 1 FIAF COc1ccc2nc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)sc2c1 587034912 JIBYVMIBUXJNHC-UHFFFAOYSA-N 361.329 4.170 0 1 FIAF Cc1cc(F)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2c1 587142894 PRLVPSBLKKDZSA-CYBMUJFWSA-N 366.209 4.155 0 1 FIAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1F 587153083 VQPVZQBHNHJYHD-DTWKUNHWSA-N 350.271 4.434 0 1 FIAF COC(=O)c1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1OC 587169827 BFBOFTYJJTUCHP-NSHDSACASA-N 374.437 4.393 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(N(C)Cc3ccccc3)CC1)O2 587387368 PMRKEEQEFSJPRV-UHFFFAOYSA-N 364.489 4.356 0 1 FIAF Cc1cc(C)cc(N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)c1 587393391 HTTVJJNAUITYMX-UHFFFAOYSA-N 350.462 4.198 0 1 FIAF Cc1ccc([C@]2(Cc3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587393783 MFTWLSJYGUKXOV-QHCPKHFHSA-N 358.441 4.384 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCC(C)CC1)CC2=O 587473641 AUSJINVPWLJKDK-FQEVSTJZSA-N 359.510 4.437 0 1 FIAF Cn1cccc1C1(c2cccn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587511472 GVYBFRUCYKNHMC-UHFFFAOYSA-N 360.457 4.151 0 1 FIAF COc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)C)nn1C 587516451 SVLBMRNIPHJVHK-KRWDZBQOSA-N 354.450 4.137 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536014 QHWCOJVNOHXNFP-JOCHJYFZSA-N 350.414 4.217 0 1 FIAF COc1ccc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587598052 AGPKUNFRINBVFH-KNQAVFIVSA-N 362.381 4.412 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1scnc12 587616024 ATLSGPZKPKLISR-JXFKEZNVSA-N 365.410 4.042 0 1 FIAF COC1(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 587806892 BKXTZDPGWVCDCS-MEDUHNTESA-N 356.279 4.297 0 1 FIAF O=C(Cn1c(-c2ccccc2)cc2c(F)cccc21)NCc1ccccn1 1772570737 FKQSLMGOZLYGKV-UHFFFAOYSA-N 359.404 4.159 0 1 FIAF COc1cccc2[nH]ccc(=Nc3cc(-c4cccc(C)n4)ncc3C)c12 1857628225 WHJWATIXIXBXNQ-UHFFFAOYSA-N 356.429 4.483 0 1 FIAF O=C(c1ccc(-c2ccccc2O)s1)c1cc(F)c(F)c(O)c1F 1857656650 SZLCWHOWZSWPCT-UHFFFAOYSA-N 350.317 4.475 0 1 FIAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC[C@H](O)C(C)(C)Cl 2356382055 LJKOFXGMGDOURN-KRWDZBQOSA-N 350.842 4.277 0 1 FIAF C[C@H](CC[C@]1(C)[C@H](C)CC[C@@]2(CO)C(CO)=CCC[C@]21C)CC(=O)O 2356652311 WLKKZYQAHGKWES-RYFZRTLDSA-N 352.515 4.011 0 1 FIAF COc1ccc(OC)c(-c2ccc(-c3cn(-c4cccnc4)nn3)cc2)c1 2382239646 KMLWQSVQKOYEFA-UHFFFAOYSA-N 358.401 4.014 0 1 FIAF CC(C)c1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 597853 GNMALCWMRIJDNM-FQEVSTJZSA-N 360.457 4.308 0 1 FIAF CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1cccc(Oc2ccccc2)c1 4563475 HAYXKGQPAYZVIE-NHCUHLMSSA-N 373.408 4.474 0 1 FIAF COc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(OC)c1 27182182 SPRXUBHDDZKFSN-UHFFFAOYSA-N 366.442 4.379 0 1 FIAF Nc1nc(NCc2ccccc2)cc(Oc2ccc(Br)cc2)n1 27737624 JTHPKFBTDDKNAB-UHFFFAOYSA-N 371.238 4.226 0 1 FIAF CCCN1N=C2/C(=C/c3ccccc3)C[S@](=O)C[C@@H]2[C@@H]1c1ccccc1 29244812 WHBHZFWSLGEPFN-RMGWQXDGSA-N 364.514 4.271 0 1 FIAF COc1ccc(-c2cc3ccc4c(c3oc2=O)C=CC(C)(C)O4)c(O)c1 85956026 HYXYVJUECMXNLJ-UHFFFAOYSA-N 350.370 4.358 0 1 FIAF endogenous,in-man Cc1cccc(Cc2c(=O)[nH]c(=O)[nH]c2[C@H]2CC[C@@H](c3ccccc3)CC2)c1 101598474 ZSYRLTIXIDZION-MXVIHJGJSA-N 374.484 4.404 0 1 FIAF Cc1ccc(-c2nn(-c3ccc(Br)cc3)c(N)c2C=O)cc1 103215260 FBWYZJDSKZTWTF-UHFFFAOYSA-N 356.223 4.005 0 1 FIAF O=C(O)c1cccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)c1 144419121 MJSHHKCFUNJZHC-UHFFFAOYSA-N 370.364 4.360 0 1 FIAF Cc1nn(Cc2nc3cccc(C(C)(C)C)c3[nH]2)c(C)c1Br 586978712 CSNWMNOYPJYIFX-UHFFFAOYSA-N 361.287 4.485 0 1 FIAF CCCCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989254 CZASGZAAIHIYES-UHFFFAOYSA-N 361.397 4.038 0 1 FIAF Fc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2c(F)c1F 586996596 WLKGEDXYIKMZSP-UHFFFAOYSA-N 370.172 4.397 0 1 FIAF Clc1cnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 587082357 PDHHZZVLPBLOKL-UHFFFAOYSA-N 360.204 4.165 0 1 FIAF OCCc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587138103 WFUKOQADJGGQNT-UHFFFAOYSA-N 369.621 4.320 0 1 FIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cccc(C(=O)O)c2[nH]1 587164242 ZDRZYXLQBZKHKK-UHFFFAOYSA-N 360.344 4.298 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@H](C)c3ccc(N(C)C)cc3)nc12 587195127 GEPRSLJJSQEKCL-SNVBAGLBSA-N 359.271 4.247 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1sc(Br)cc1C)[C@@H](C2)C3=O 587452917 QCYVJBDZSAOOTE-BONVTDFDSA-N 365.248 4.316 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(OCCO)c(C)c1)CC2=O 587483520 QYCSEYHLTFWZQC-FQEVSTJZSA-N 370.445 4.039 0 1 FIAF C[C@@]1(c2c(F)ccc(F)c2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587507236 PJKOSWHPLJDHPG-NRFANRHFSA-N 372.367 4.422 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513729 UDWQKUYSRFIETQ-QGZVFWFLSA-N 359.466 4.203 0 1 FIAF Cn1c(=O)sc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587539315 VHQHMOYIJDETOK-SFHVURJKSA-N 365.454 4.185 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccccc1OC2 587614536 CHAORXSRILNSPS-NFBKMPQASA-N 374.392 4.118 0 1 FIAF CC(C)Cn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587760971 RMKSDFDOKDIHOE-APPDUMDISA-N 366.278 4.064 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nc[nH]c3c2)N1 587802175 KOZFVPBYEMKMGH-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF CCOc1cccc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)c1 587870596 MZGNKECKURVKAO-UHFFFAOYSA-N 354.381 4.175 0 1 FIAF Cc1cc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c2oc(N)nc2c1 963115283 VMYHETOOQGPSNU-BTYIYWSLSA-N 351.425 4.142 0 1 FIAF Clc1ccccc1-c1nnn(CCCSc2nc3ccccc3o2)n1 1772599633 VMCGMMJFLZWZED-UHFFFAOYSA-N 371.853 4.317 0 1 FIAF CC=C[C@@H]1[C@@H](C(=O)OCc2c(F)c(F)c(COC)c(F)c2F)C1(C)C 1857627256 KVIZNNVXXNFLMU-NEPJUHHUSA-N 360.347 4.281 0 1 FIAF CC(C)(C)c1ccc(OCCCCN2CCN(c3cccnc3)CC2)cc1 1857633769 VZXDGNMXRVTBSD-UHFFFAOYSA-N 367.537 4.360 0 1 FIAF CO[C@@H]1CC=C(c2coc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)CC1 2356558174 NXKSQMHYSCKYIQ-CYBMUJFWSA-N 354.402 4.265 0 1 FIAF COc1c(OCC=C(C)CC=CC(C)(C)OC)ccc2ccc(=O)oc12 2356778483 WLTATNKUESCCJM-UHFFFAOYSA-N 358.434 4.498 0 1 FIAF COc1cc([C@H](c2ccc(OC)c(OC)c2)[C@H](C)[C@H](C)CCO)ccc1O 2356782587 JWXWYLISMAKORK-DOQJBMMISA-N 374.477 4.205 0 1 FIAF O=C(Nc1ccccc1)OC[C@@H]1CCCN(C2Cc3ccccc3C2)C1 2382245797 HMUSVJAJTVZDOX-QGZVFWFLSA-N 350.462 4.115 0 1 FIAF O=C(Nc1ccccc1F)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205707899 UDAMOEQSCRKWRG-BXTJHSDWSA-N 360.429 4.088 0 3 FIAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4206742 WVMBXRADAGOVKS-HKUYNNGSSA-N 356.853 4.348 0 1 FIAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)CN3CCC[C@H]3C2)cc1 14696012 ZICIMKCNGGNJIZ-SFHVURJKSA-N 365.473 4.491 0 1 FIAF biogenic,in-vitro C=C1c2ccoc2C[C@@H]2[C@@H]1[C@H](OC(C)=O)[C@H](O)[C@@H]1C(C)(C)CCC[C@@]21C 14884162 JMXRSMPBPPRFOL-BOMLELHESA-N 358.478 4.220 0 1 FIAF biogenic COc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OC)c(OC)cc32)cc1OC 29235623 UFPPIPCPTGUPGA-ZWKOTPCHSA-N 369.461 4.003 0 1 FIAF CCCCC(CCCC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 40913501 OWULTMKADNYVOH-CYBMUJFWSA-N 367.964 4.037 0 1 FIAF COC(=O)c1cnc(C(=O)[C@@H]2CCc3cc(-c4ccccc4)ccc3C2)o1 71319215 NDWJPYBSFHUIIR-GOSISDBHSA-N 361.397 4.116 0 1 FIAF Cc1nnc(N2CCCC2)c2nn(-c3ccc(Cl)cc3Cl)c(C)c12 72112783 INGBKPUFSDYYRV-UHFFFAOYSA-N 362.264 4.339 0 1 FIAF CN(Cc1cccnc1)Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1 72183133 HNTDNOHODRBKRO-UHFFFAOYSA-N 363.339 4.267 0 1 FIAF C[C@@H]1CN([C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)C[C@@H](C)O1 115634808 POKMZQQTGGAPSI-PZPWOCDFSA-N 366.436 4.278 0 1 FIAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)c1cc2ccccc2c(Cl)n1 117720914 CRXUAVINIRWJJJ-OAHLLOKOSA-N 351.837 4.217 0 1 FIAF O=C(Nc1cc2ccc(-c3cc(CO)ccc3Cl)cc2cn1)C1CC1 144385278 AAKVCHBQVYHBAI-UHFFFAOYSA-N 352.821 4.396 0 1 FIAF COc1cc([C@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)cc(OC)c1OC 238743365 OZZUFLDUPKLHBA-BHVCSQLQSA-N 370.445 4.401 0 1 FIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@H]12 255211346 FXWZKNUSMJAEKJ-RLAPWRJVSA-N 356.506 4.410 0 1 FIAF CC(C)(C)OC(=O)NC[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 261135829 LZUOWUYBFWNJBN-ZGBGGJGPSA-N 360.523 4.139 0 1 FIAF Cn1cc(-c2ncc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)s2)cn1 587021249 HCMUIEQFQHGEOW-UHFFFAOYSA-N 367.331 4.245 0 1 FIAF C[C@H](O)c1ncc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)s1 587022688 UYGLZQSQGDHOAH-YFKPBYRVSA-N 363.748 4.292 0 1 FIAF Cc1ccc2c3c(c4c(nc13)CCC[C@H](C(=O)O)C4)-c1ccccc1C2=O 587100945 JCNIYNLVGLANPL-ZDUSSCGKSA-N 357.409 4.334 0 1 FIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cnc5ccccc5c4[nH]3)cc2N1 587124797 OMSVOPIIFKRNAR-XPTSAGLGSA-N 372.354 4.282 0 1 FIAF Cc1cc(Cl)cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 587193346 HRDPAZNCJFHNFH-UHFFFAOYSA-N 371.868 4.044 0 1 FIAF COc1cc(C)c(N)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587249155 JSWDYFQJMFZRDE-UHFFFAOYSA-N 368.181 4.170 0 1 FIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1OC 587372707 AFMBUWPDSGMPQC-MRXNPFEDSA-N 361.825 4.344 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ncc(C(F)(F)F)cc13)O2 587383579 SUQMRIGIBMTTQZ-OAHLLOKOSA-N 361.323 4.179 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(C(C)C)cc1)O2 587389084 IKLPVWUFGNFIIV-JOCHJYFZSA-N 366.461 4.453 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2-c2ccccc21 587409014 SWJJNGPBRURMBD-HSZRJFAPSA-N 355.393 4.301 0 1 FIAF CCCCOc1c(OC)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441797 MVTXTORLTHZUMM-IERDGZPVSA-N 368.429 4.371 0 1 FIAF CC(=O)Nc1cccc2c1[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587513340 RKNDROGBGAMJEB-QHCPKHFHSA-N 361.441 4.331 0 1 FIAF Cc1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551816 KDACZKNFUSCJCL-YLJYHZDGSA-N 367.788 4.452 0 1 FIAF Cc1cc(O)cc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611258 RTRLDISCARNZGD-KNQAVFIVSA-N 362.381 4.418 0 1 FIAF CNc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587745954 XXPRKVOPIKGIKC-ADLMAVQZSA-N 363.274 4.428 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2C(C)(C)C)N1 587808368 ZDLVNXJAZVARIV-BJOHPYRUSA-N 366.278 4.232 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3scnc32)N1 587859925 YYLKFMOVQDULMY-JDNHERCYSA-N 367.287 4.159 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587952572 TZJIOBCFYWPHOV-ZENOOKHLSA-N 360.454 4.405 0 1 FIAF CCO/C=C/[C@@]1(C(F)(F)F)c2cccc(Br)c2CCN1C 963280072 LUDMHONONIBXQG-PLWJUESGSA-N 364.205 4.245 0 1 FIAF COc1cc(-c2nc3c(nc(C)c4ccc(C)nc43)o2)cc(OC)c1OC 1857560537 FQZOLGBAPBXPLI-UHFFFAOYSA-N 365.389 4.081 0 1 FIAF C/C(=C\CC[P@@](=O)(COC(=O)C(C)(C)C)Oc1ccccc1)CO 1857746171 ICRHSCYTRCKLAF-RGCCYVKUSA-N 354.383 4.219 0 1 FIAF Cc1onc(C(C)(C)C)c1C(=O)NCc1cccc(OC(F)(F)F)c1 775886 IYMJSSOWBCGFNI-UHFFFAOYSA-N 356.344 4.109 0 1 FIAF CCOc1nc2c3c(nccc3c1Br)-c1ccccc1C2=O 3786345 RSDAVSSWTOOEEW-UHFFFAOYSA-N 355.191 4.002 0 1 FIAF COc1ccc(C2=NN(C3CCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC 13474118 QWPPDUCOFLWBIF-ZWKOTPCHSA-N 368.477 4.165 0 1 FIAF CCCCC[C@H](CC(=O)CCc1ccc(OC)c(OC)c1)OC(C)=O 15257109 JVZPWPPDSXXGLN-GOSISDBHSA-N 350.455 4.108 0 1 FIAF biogenic Cc1sc(-n2cccc2CNCc2cccc(F)c2)c(C(=O)O)c1C 21643404 MMUMRXBWWJTVFK-UHFFFAOYSA-N 358.438 4.283 0 1 FIAF Nc1ccccc1-c1cc2c(cc1F)c(=O)c1c(O)nsc1n2C1CC1 28571491 NMDLMCNOMSXERQ-UHFFFAOYSA-N 367.405 4.040 0 1 FIAF O=C1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C(N1)[C@@H](c1ccccc1)C2 40766754 JANYVRGTCTXBAJ-QHSWPGFUSA-N 374.528 4.461 0 1 FIAF O=C1O[C@@H](Cc2ccccc2)/C(=C/c2ccccc2)[C@@]1(O)Cc1ccccc1 86023842 WGASWKHIQMYEHL-NOMVMIBISA-N 370.448 4.212 0 1 FIAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1c[nH]c2ncccc12 101229903 CASUKCWJIMZQFD-ROUUACIJSA-N 367.880 4.231 0 1 FIAF CC[C@@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 101781606 UMODTPQPINIWKV-LSUGYDDCSA-N 353.506 4.066 0 1 FIAF CCC[C@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 101795326 CWLFBVVMPWYBAR-QODFHFCMSA-N 367.533 4.369 0 1 FIAF Nc1nc(OCC2CCCCC2)c2nc(-c3ccccc3Cl)[nH]c2n1 103255602 FBWLVRRYIQNMPL-UHFFFAOYSA-N 357.845 4.215 0 1 FIAF CN1CC=CCOCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 254120099 QKJJEBZDSXDZMC-UHFFFAOYSA-N 372.472 4.405 0 1 FIAF COc1ccc2c(c1)oc(=O)c1c(C)nn(-c3ccccc3C(F)(F)F)c12 299828460 WASCVMZRBQOHGH-UHFFFAOYSA-N 374.318 4.468 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 586916495 MQJNEYYXCJYMHW-IVZQSRNASA-N 363.461 4.472 0 1 FIAF Clc1cnc(Cl)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 587042614 ULBGKHZVUWDGBQ-VXGBXAGGSA-N 365.289 4.211 0 1 FIAF O=C1c2ccccc2-c2cc(-c3c(O)cc(O)cc3O)nc3cccc1c23 587207642 ULPFMCUSYYKREE-UHFFFAOYSA-N 355.349 4.230 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccnc(Cl)c2[nH]1)C1CCCC1 587224109 DJHFRFMIRWNCAH-GFCCVEGCSA-N 350.850 4.367 0 1 FIAF Cc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587334011 DKEFJYYGRIPRKF-GHTZIAJQSA-N 367.376 4.410 0 1 FIAF Cc1cc2c([nH]1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587159 FZUYNOZVOLAZRG-DENIHFKCSA-N 361.397 4.222 0 1 FIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1C 587592160 IIHUAFUNPTWCKU-KNQAVFIVSA-N 362.381 4.412 0 1 FIAF CCn1c(C)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587755793 QPKZPCJARHKREV-BTDLBPIBSA-N 351.263 4.342 0 1 FIAF Cc1c[nH]c2c1[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587801254 FFWHLMKOAPBJAY-ZMZPIMSZSA-N 363.274 4.339 0 1 FIAF Cc1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850942 GSVNXUCHKXPFQF-JKYUHCHBSA-N 355.276 4.285 0 1 FIAF COc1cc(C2(c3nc4ccc(Br)nc4[nH]3)CC2)ccc1C 587924964 HUQHBNKREGAVNZ-UHFFFAOYSA-N 358.239 4.117 0 1 FIAF COc1cc(-c2cn3c(-c4ccc5ncccc5c4)cnc3cn2)ccc1O 653765555 UCTLECRQDQZFLO-UHFFFAOYSA-N 368.396 4.326 0 1 FIAF CCc1cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)no1 962643254 PYTJJWMTDBVLNC-CVDCTZTESA-N 359.473 4.073 0 1 FIAF CC(C)c1ccc(/C=C/c2nc3ccccc3c(=NCCN(C)C)[nH]2)cc1 1857570180 LCVYLGLBRYMTLX-SDNWHVSQSA-N 360.505 4.319 0 1 FIAF Cc1cc(C)c(-c2ccc(N[C@H]3CC[C@H](O)CC3)c(C(N)=O)c2)c(C)c1 1857633105 HUQYCJGOAAMTBP-IYARVYRRSA-N 352.478 4.093 0 1 FIAF CN=c1ccc(-c2cncc(OCc3ccc(Cl)cc3Cl)c2)c[nH]1 1857765121 YNERVPQZZHBGRS-UHFFFAOYSA-N 360.244 4.493 0 1 FIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1C3=CC[C@@H](C4=CC(=O)OC4)[C@]3(C)CC[C@@H]12 2356484722 FXWZKNUSMJAEKJ-DNMBFCBBSA-N 356.506 4.410 0 1 FIAF CC(=CCCC1=C[C@@H](O)OC1=O)CCC=C(C)CCC[C@@H](C)C(=O)O 2356788869 CPMWPGTWVFIEII-AEFFLSMTSA-N 350.455 4.132 0 1 FIAF CCCC1(CCC)C(=O)NC(=O)N=C1Nc1ccc(N(CC)CC)cc1 5444266 ICYRPSRABRBGSO-UHFFFAOYSA-N 358.486 4.180 0 1 FIAF biogenic COc1ccc2c(c1)[C@@H](CN(C)CCc1ccc3c(c1)OCO3)CCC2 13761394 YXHGDLXUJHNIIO-GOSISDBHSA-N 353.462 4.018 0 1 FIAF O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(Cc1ccoc1)CC2 19773338 ZATNKXMRFZWDMN-UHFFFAOYSA-N 364.420 4.158 0 1 FIAF C[C@@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)c1ccc[nH]1 40676713 XGBWNEKVHQUBJF-VEDQBHKXSA-N 368.521 4.335 0 1 FIAF O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1C(=O)NC1CC1 45260364 ZZHMAOVAQMUDLE-CABCVRRESA-N 355.265 4.017 0 1 FIAF N=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C/C=C/c1ccccc1 45302762 NOIOXZRWUVPEHK-JLHYYAGUSA-N 367.452 4.010 0 1 FIAF O=C(O)CCNCCCc1ccc(OCCCCc2ccccc2)cc1 59614791 COVOUULWQWTDBM-UHFFFAOYSA-N 355.478 4.085 0 1 FIAF COc1ccc(CCN(C)Cc2coc(-c3ccc(F)cc3)n2)cc1OC 72102147 WRYDKAGCTTYQML-UHFFFAOYSA-N 370.424 4.172 0 1 FIAF O=C(Nc1ccc2sc(CO)nc2c1)C1CCC(C(F)(F)F)CC1 84688325 MUMPITGGJGVJOT-UHFFFAOYSA-N 358.385 4.096 0 1 FIAF Nc1nc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc2s1 96169271 WOLAGLMOWGJUJU-WMZOPIPTSA-N 363.486 4.213 0 1 FIAF CN1C/C=C\COCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)C1 138595290 VNUICWVLRHUNJF-IHWYPQMZSA-N 372.472 4.405 0 1 FIAF Cc1cc(Oc2cncc(F)c2)cc(C(=O)Nc2ccc(Cl)cn2)n1 148274052 DDVREPFHKISWAF-UHFFFAOYSA-N 358.760 4.017 0 1 FIAF COc1ccc(OCCC2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 206982657 JNFYKAUPJOUTSS-UHFFFAOYSA-N 369.461 4.025 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)c1ccc[nH]1 253710610 XGBWNEKVHQUBJF-AMLHBDFJSA-N 368.521 4.335 0 1 FIAF Fc1cccc(CN[C@@H]2CCCn3nc(COc4ccccc4)cc32)c1 299834644 BTTNJTKXLSHRFB-HXUWFJFHSA-N 351.425 4.226 0 1 FIAF Fc1cnc(Cl)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 587017346 KGGDBGSLWZJPSC-UHFFFAOYSA-N 372.812 4.476 0 1 FIAF Cn1cc(-c2ncc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)s2)cn1 587021753 OPOIFZJWBHJBIP-UHFFFAOYSA-N 350.234 4.394 0 1 FIAF O=C(O)c1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1F 587074376 UMWWHAUPVYCJKL-KRWDZBQOSA-N 373.815 4.391 0 1 FIAF Cc1cc(Cl)cc2nc(C(F)(Br)Br)[nH]c12 587088008 HTQCCJVMMKEZLU-UHFFFAOYSA-N 356.420 4.394 0 1 FIAF COC(=O)c1ccc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c2c1 587098882 YJCSCUYYVCQRPE-UHFFFAOYSA-N 350.296 4.044 0 1 FIAF CCCCCOc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Br 587123443 JTYSNPYDWUEUEM-OTYXRUKQSA-N 358.255 4.252 0 1 FIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(F)(F)F 587382795 OHPKMONKZDWWKK-OAHLLOKOSA-N 367.323 4.191 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)C3CCC3)c1)O2 587392417 YVJARZKPNFRFPB-QFIPXVFZSA-N 364.445 4.196 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)ccc1OC(F)F)[C@@H](C2)C3=O 587420920 IDAHKVPIGKCVBJ-XOBRGWDASA-N 360.356 4.268 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccnc1N1CCCCC1)CC2=O 587477204 WKNRQYKCWWDKFP-FQEVSTJZSA-N 366.461 4.437 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(C)cc(=O)oc3c1)CC2=O 587485690 JRRLUUKTUMROGG-IBGZPJMESA-N 364.397 4.466 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(F)cc1 587572371 SJNWNNWQWKFDHC-MOPGFXCFSA-N 350.345 4.104 0 1 FIAF CCn1ncc(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587701679 XONYQZUCMVHZKK-RTHLEPHNSA-N 372.669 4.082 0 1 FIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnc1F 587739816 VWZSXDDWURBDRS-PSLIRLAXSA-N 353.210 4.054 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CN2CCCC2)N1 587765941 LGAGIVYUIRWVNY-SJCJKPOMSA-N 369.322 4.286 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncccc3o2)N1 587778340 MDUKOJYGLQKSPZ-XYZCENFISA-N 361.214 4.353 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nc[nH]c23)N1 587801257 FHOZUMDEJYAEEU-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2c(s1)CCC2 587872174 JPTWLSBYNHGXHO-UHFFFAOYSA-N 356.422 4.327 0 1 FIAF CN(C)C(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1 653716057 YBTXGZLJYLRPEA-UHFFFAOYSA-N 363.438 4.454 0 1 FIAF O=C1Nc2cc(Cl)c(F)cc2[C@@]12NCCc1c(Cl)cc(Cl)cc12 963115381 WBADUNWOKOLRJM-MRXNPFEDSA-N 371.626 4.127 0 1 FIAF O=C1OC[C@H](Cc2cccc(O)c2)[C@H]1Cc1ccc(Cl)c(Cl)c1 1772641952 JVODCAONBWQRGJ-DZGCQCFKSA-N 351.229 4.273 0 1 FIAF CCN(CC)c1ccc2cc(C3=NN[C@H](c4ccccc4)C3)c(=O)oc2c1 1857759560 GGLXANLCYJRDTG-IBGZPJMESA-N 361.445 4.078 0 1 FIAF COc1ccc(-c2ccccc2)cc1C(=O)Nc1ccc(CC(=O)O)cc1 1857769293 QBDUGUHPPDXYOU-UHFFFAOYSA-N 361.397 4.242 0 1 FIAF CC(=O)O[C@H]1[C@@H]2[C@H]3CC(C)=CCC[C@@]4(C)OC[C@@H](C)[C@@H](C[C@H]1C)[C@H]2[C@@H]4O3 2356476638 MDSDQZGJBVBIFN-HYSNPOOXSA-N 362.510 4.129 0 1 FIAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)C(CCC(C)=CCO)=C(C)[C@H]1O 2356484620 BIBTUYYDRZOYNN-XWSHUIEDSA-N 364.526 4.161 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1OC(=O)C(CCC=C(C)C)=CC[C@@]1(C)O 2356668092 CZYBEMYHXJMNRC-PZJWPPBQSA-N 364.482 4.015 0 1 FIAF O=C(Nc1ccc(F)c(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1 2382223590 KJJIMZOASWDMDJ-UHFFFAOYSA-N 370.815 4.459 0 1 FIAF O=C(O)c1ccc(-c2cnc3[nH]cc(-c4ccc5nonc5c4)c3c2)cc1 2382229528 QCVMIEAPUBUBMX-UHFFFAOYSA-N 356.341 4.131 0 1 FIAF Oc1ccc(C(=C(Cn2cncn2)c2ccccc2)c2ccc(O)cc2)cc1 2382260536 CBLDUCOEYFZZBF-UHFFFAOYSA-N 369.424 4.349 0 1 FIAF C[C@@H]1Cn2c(C(=O)NCCCc3ccccc3)cc3cccc(c32)S1 20559792 YRONIONQVPGZIG-OAHLLOKOSA-N 350.487 4.498 0 1 FIAF N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(Br)c2c1 28361903 CVKDCLNWMMYRKW-UHFFFAOYSA-N 368.234 4.139 0 1 FIAF COc1ccc([C@](O)(c2ccc(Cl)cc2)c2cncnc2)c(Cl)c1 28766711 OIYDENBDXVRHFF-SFHVURJKSA-N 361.228 4.076 0 1 FIAF COc1ccc2c(c1)C[C@H](NCc1ccc(-c3ccc4nc[nH]c4c3)cc1)C2 45201240 AXORJKGXBIQJSL-OAQYLSRUSA-N 369.468 4.496 0 1 FIAF OC1CN(C2=Nc3ccccc3C(c3ccccc3)=N[C@@H]2c2cccs2)C1 53194178 BKSGACYTXOQQNI-OAQYLSRUSA-N 373.481 4.047 0 1 FIAF in-vivo c1ccc(-n2ncc3c2CCOC32CCN(CC3CCCCC3)CC2)cc1 53242595 NWMXSPBPJJFCHG-UHFFFAOYSA-N 365.521 4.316 0 1 FIAF Cc1cc(-c2cc(C)c([C@@H]3CCCN3C(=O)c3cncs3)cn2)ccn1 72176951 UNOLYCWUAKOIGH-SFHVURJKSA-N 364.474 4.194 0 1 FIAF O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)NC1CCCC1 146954441 COAPPZKBRJISGL-UHFFFAOYSA-N 360.421 4.170 0 1 FIAF CO[C@H]1CC[C@H](Nc2nc(O)nc3c(C)cc(-c4cncs4)cc23)CC1 299852795 XPEBLJSPHXLWGT-HDJSIYSDSA-N 370.478 4.137 0 1 FIAF CCCOc1cc2[nH]c(-c3ccc(CO)cc3)nc2cc1Br 586895269 CSJDSJBDRBOVKV-UHFFFAOYSA-N 361.239 4.274 0 1 FIAF CC(C)(C)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2n1 586984327 PUNJGXDRQDVDLP-CYBMUJFWSA-N 373.298 4.260 0 1 FIAF COc1cc(/C=C\c2nc3c(N)ccnc3[nH]2)cc(Cl)c1OCC(C)C 587046944 PRNIPYKZXSVDQO-PLNGDYQASA-N 372.856 4.407 0 1 FIAF COc1nccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc12 587075871 LSFXKDZSONYDRU-UHFFFAOYSA-N 370.796 4.162 0 1 FIAF CC(C)(C)c1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2n1 587158861 YGSWJLMEXZLAED-FQEVSTJZSA-N 352.413 4.186 0 1 FIAF O=C(/C=C/c1nc2cc(Br)c(F)cc2[nH]1)Nc1ccccc1 587244117 LFUUSDRWBUWCTQ-VOTSOKGWSA-N 360.186 4.116 0 1 FIAF C[C@@]1(c2cncs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587373037 KRUIQLOAZFSCMK-HKUYNNGSSA-N 355.390 4.262 0 1 FIAF Cc1cc(C)cc([C@@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c1 587406383 GTFRLNHEXIXIMT-JOCHJYFZSA-N 367.445 4.310 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587418907 FAMIOZCAKJNNCW-APPDUMDISA-N 352.283 4.342 0 1 FIAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1OC 587423133 SFZUBSIRGMZKJS-YJYMSZOUSA-N 374.820 4.245 0 1 FIAF O=C1C[C@](Cc2ccncn2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587522265 DIZASIGYKWLHMP-XMMPIXPASA-N 370.452 4.459 0 1 FIAF Cn1cc(-c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cn1 587534457 BZEGTRSTLCNFLU-QGZVFWFLSA-N 365.458 4.129 0 1 FIAF CCC(=O)CC[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599258 DMTTZFTUYXQXTF-RXVVDRJESA-N 354.402 4.262 0 1 FIAF COc1cccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601301 RXEYDLNZYRSMSM-NZQKXSOJSA-N 374.392 4.204 0 1 FIAF CSC[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587704331 IQQBIDMXBPBIMD-KRTXAFLBSA-N 372.225 4.243 0 1 FIAF CC(C)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C 587763831 MVDKKHMGYORPRN-BMLIUANNSA-N 366.278 4.069 0 1 FIAF Cc1cc2c([nH]1)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587801067 CZUPOISMOGKJPT-ADLMAVQZSA-N 363.274 4.339 0 1 FIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587805445 FHQGQUDAPVXLEA-VOJFVSQTSA-N 364.258 4.395 0 1 FIAF CC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587813829 DYZXUHINUBZZPG-XTZNXHDOSA-N 362.242 4.414 0 1 FIAF Cc1c(O)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587822633 PUQSNYRVGRPUSJ-XLFHBGCDSA-N 350.231 4.226 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(F)cn1 587864247 IFMYLKNUDFLPPV-UHFFFAOYSA-N 351.303 4.491 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(F)c(F)cc1F 587869019 XMHBWVJVFQVCJN-UHFFFAOYSA-N 373.256 4.379 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Cl)ccc1OC 587871345 UKQQPXWTXBKDHX-UHFFFAOYSA-N 374.799 4.438 0 1 FIAF Cc1ccc(-c2cc(O)n([C@@H](COc3cc(F)cc(F)c3)N=O)c2O)cc1 587944884 JTMCKBKNBZRUQF-KRWDZBQOSA-N 374.343 4.497 0 1 FIAF C[S@](=O)c1ccc([C@@H](NC2CCC2)c2cc3cccnc3[nH]2)cc1Cl 653780335 BNOICVBXGBGNOO-CJAUYULYSA-N 373.909 4.185 0 1 FIAF COc1ccc2nc([C@@H]3NCCc4cccc(-c5ccccc5)c43)[nH]c2c1 962671095 RSUKSQWBWORFFX-JOCHJYFZSA-N 355.441 4.474 0 1 FIAF O=C(O)c1ccn(Cc2cc(Cl)cc3sc(N4CC=CCC4)nc23)c1 1772610953 SVWCMXFCQVPTAJ-UHFFFAOYSA-N 373.865 4.264 0 1 FIAF N=c1[nH]cc(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)c(F)c2)[nH]1 2382226458 OEUVVMDNBPDILG-UHFFFAOYSA-N 365.195 4.187 0 1 FIAF CCCCCCN1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccccc1 61923864 DSBYUZJTGKLKIL-FSSWDIPSSA-N 368.525 4.085 0 3 FIAF O=C(Nc1cc(Cl)cc(Cl)c1)N1Cc2ccccc2-n2nncc2C1 61924049 QYOAZXNPEQSRDM-UHFFFAOYSA-N 374.231 4.122 0 3 FIAF C[C@@](O)(c1cccnc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61926119 VQJQVEBYRZAWKC-MRXNPFEDSA-N 350.365 4.480 0 3 FIAF CN(C(=O)C1=CCCCCC1)c1ccccc1I 5922427 QPSSPXPNRGPWHG-UHFFFAOYSA-N 355.219 4.145 0 1 FIAF CCN1C=Cc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(OC)c(OC)c1 6385001 JEYYFFRPPHCDBW-SFHVURJKSA-N 369.461 4.311 0 1 FIAF biogenic C[C@]1(CN2CCCC2)CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 13449314 HQWIOXIOBQOQJB-LJQANCHMSA-N 369.336 4.403 0 1 FIAF CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(C(C)C)c2)c(C)c1 13602415 BUESDXQGQSWBJR-UHFFFAOYSA-N 371.433 4.426 0 1 FIAF CO[C@@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 13643534 DRRFJWRBSWXNFW-UWHLTILDSA-N 373.443 4.321 0 1 FIAF CO/C=C(/C(=O)OC)c1ccccc1COc1cccc(C(F)(F)F)c1 31909146 HHJMPMZMPDRRHS-SFQUDFHCSA-N 366.335 4.445 0 1 FIAF S=C(N1CCC(Cc2ccccc2)CC1)N1CCC(c2ccccc2)=N1 38279015 XDOUTDGOFYLPBR-UHFFFAOYSA-N 363.530 4.336 0 1 FIAF O=C(NCC1CC1)c1ccc(-c2cc(C(=O)NC3CC3)ccc2Cl)cc1 40918099 LCHMPMDNAFCOPU-UHFFFAOYSA-N 368.864 4.039 0 1 FIAF COc1cc2c(c(CC=C(C)C)c1O)O[C@@H]1c3ccc(O)cc3OC[C@@H]21 43078753 JZCLWJAANXMNAY-OXJNMPFZSA-N 354.402 4.225 0 1 FIAF biogenic Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F 63298467 MADCXGNPDBWPLM-UHFFFAOYSA-N 374.419 4.441 0 1 FIAF Cc1c(Cl)cccc1NC(=O)O[C@](C)(OC1CCCCC1)C(=O)O 72179915 ZPQZWYBLLQRJCS-KRWDZBQOSA-N 355.818 4.347 0 1 FIAF OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1 73224909 JPTSMZMSIACDAD-UHFFFAOYSA-N 363.860 4.232 0 1 FIAF O=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1ccccn1 82153863 WPLQVOUZACIKEY-UHFFFAOYSA-N 357.822 4.301 0 1 FIAF COc1cc(/C=C/C(=O)O)cc2cc(-c3ccc(N(C)C)c(F)c3)oc12 96934919 KRFXVXCFLGXNOC-QPJJXVBHSA-N 355.365 4.411 0 1 FIAF CCc1cc(Cc2ccc(CCO)cc2)nc(-c2cccc(Cl)c2)n1 143359782 ISFMNSBYUVHDCJ-UHFFFAOYSA-N 352.865 4.485 0 1 FIAF Cc1ccccc1CCN1CCCC[C@@]12CCc1cc(C#N)ccc1C2=O 207874103 LSQJLQZSJWMISS-DEOSSOPVSA-N 358.485 4.463 0 1 FIAF CCCCCn1cc2c(=O)n(-c3ccc(OC)cc3)nc-2c2ccccc21 299860386 JFPKMXUQDQYGSR-UHFFFAOYSA-N 361.445 4.491 0 1 FIAF Cn1cc(-c2ncc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)s2)cn1 587021352 IVTIWCIZABDQCC-UHFFFAOYSA-N 367.331 4.245 0 1 FIAF OC1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCC(C(F)(F)F)CC1 587127159 TWVYZXNUOUBADT-UHFFFAOYSA-N 354.706 4.435 0 1 FIAF COc1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587218801 LNQXPUNHMDUMOB-HXUWFJFHSA-N 357.413 4.091 0 1 FIAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)no1 587348917 SNHHQEUQIAFGFB-AZUAARDMSA-N 353.349 4.102 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCC(F)(F)F)c1)O2 587381740 KWUVLRPJZBVWRR-INIZCTEOSA-N 351.324 4.225 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2ccc(N)cc21 587388344 ASWJMPSDBLXYOY-QFIPXVFZSA-N 358.397 4.174 0 1 FIAF CCOc1cc2c(c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@H](C)C2 587411871 LGBHRETYCZWMLN-CWTRNNRKSA-N 353.418 4.006 0 1 FIAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc(F)cc1)CC2=O 587466333 KHEQUKONXVDFLK-MLUDITRGSA-N 369.436 4.420 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1nn(C)c3ccccc13)CC2=O 587479117 YSIFHZXEBXHYKI-NRFANRHFSA-N 350.418 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1c1cncnc1)CC2=O 587487369 FLARFHDIWZCHTH-DYESRHJHSA-N 352.434 4.197 0 1 FIAF CC[C@@]1(Cc2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617007 NXABKTIMBJSPBQ-RXVVDRJESA-N 350.370 4.338 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2c(s1)CCC2 587618625 OYSLGJAVZOMJJX-APWZRJJASA-N 365.410 4.040 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nn(C)cc3c2)N1 587760922 QVKGGZONVNZSAY-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c[nH]nc23)N1 587789291 AVVKTEXTPWWGRT-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c[nH]nc23)N1 587789292 AVVKTEXTPWWGRT-XYZCENFISA-N 360.230 4.088 0 1 FIAF Cc1ccc([C@@]2(c3ccc(C)cc3C)NCCc3c2c(C(C)C)nn3C)nc1 962916181 IZGPKMPPFJANRY-XMMPIXPASA-N 374.532 4.301 0 1 FIAF CN1CCc2c(Br)cccc2[C@@H]1c1ccc(Cc2ccc[nH]2)[nH]1 963272313 ZORQMEUOKUBKBL-LJQANCHMSA-N 370.294 4.273 0 1 FIAF CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(Cl)nc2ccc(OC)cc12 1772647659 XJIBDOHIONJNPE-KIOZCILKSA-N 360.885 4.051 0 1 FIAF C/C=C1\CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC3CCC3)cc12 1857588863 WOIJMXKIXUYUJK-MINGVBBBSA-N 364.489 4.240 0 1 FIAF Cc1cc(-c2ccccn2)cc(C)c1C=Cc1cncc(-c2nn[nH]n2)c1 1857742949 LBJHHPBGZCPQIO-UHFFFAOYSA-N 354.417 4.111 0 1 FIAF COC1=C[C]2C(=C3C=C4CCCN4C=C3c3cc(OC)c(OC)cc32)C=C1 2356840919 LIOZDYUJPUZEOX-UHFFFAOYSA-N 360.433 4.371 0 1 FIAF CC[P@@](=O)(OC)c1ccc2nc(-c3cccnc3C(F)(F)F)oc2c1 2382234463 DJQMKZAWNJQRPL-RUZDIDTESA-N 370.267 4.478 0 1 FIAF CC1CC(COc2ccc([C@H](CO)NC(=O)[C@@H](C)c3ccccc3)cc2)C1 2382246425 SKLMADKXPSDVCM-BVSMEHFNSA-N 367.489 4.065 0 1 FIAF CCn1c(C(=O)Nc2ccsc2C(=O)OC)cc2sc(Cl)cc21 5036631 GUCSILSTFFWNIS-UHFFFAOYSA-N 368.867 4.477 0 3 FIAF COc1ccc(C[C@H](N)c2csc(Nc3ccc(C(C)=O)cc3)n2)cc1 61895620 RUATTXSFTQBPRB-SFHVURJKSA-N 367.474 4.340 0 3 FIAF COc1ccccc1C[C@]1(C)C(=O)Nc2ccc(OC(F)(F)F)cc21 61898510 BXEOWYVWSNADDK-KRWDZBQOSA-N 351.324 4.046 0 3 FIAF COc1ccccc1NC(=O)Nc1nc([C@H](N)C2CCCCC2)cs1 61905569 FVJJBMDXOLCCAN-MRXNPFEDSA-N 360.483 4.376 0 3 FIAF CC[C@H](c1nc2ccccc2[nH]1)n1c(-c2cnccn2)nc2ccccc21 95567282 DTNLNZVHHPUDCV-GOSISDBHSA-N 354.417 4.369 0 3 FIAF CCCN1CCC(=O)N([C@@H](CSc2ccc(C)cc2)CC(C)C)CC1 13830510 KKXFAVFPRJLFFH-LJQANCHMSA-N 362.583 4.446 0 1 FIAF C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)c4ccc[nH]4)[C@]3(C)CC[C@H]12 26390284 VZUZYJRNXGEFQV-NWCHCEISSA-N 366.505 4.111 0 1 FIAF COc1cc(/C=C\c2cn(C(C)=O)c3ccccc23)cc(OC)c1OC 28115065 ARMUZGHXKWNJDX-KTKRTIGZSA-N 351.402 4.498 0 1 FIAF Cc1ccc(CC2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1 28523954 RQYDSTZWRPNKSZ-UHFFFAOYSA-N 369.480 4.167 0 1 FIAF OCCN1CCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 36160961 VROCHRIONFIYID-HXUWFJFHSA-N 351.425 4.012 0 1 FIAF COc1ccc2c(c1)CCc1c-2c2c(c3c1[nH]c1ccccc13)CNC2=O 40952216 PKGQDPNUCJTZSZ-UHFFFAOYSA-N 354.409 4.339 0 1 FIAF CCCN(CCC)c1nc2c(c(-c3ccc(C)cc3C)cn2C)c(=O)n1C 71330062 LODORRWFKMRTAR-UHFFFAOYSA-N 366.509 4.182 0 1 FIAF CC(=O)c1ccc([C@@H](O)C(F)(F)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 95582313 OFQJHTJHABTKNR-XAPRQVHKSA-N 362.416 4.343 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2CO[C@@H](C2)[C@@H]1C/C=C\CCCC(=O)O 100309676 DJKDIKIDYDXHDD-JFTBRIRESA-N 350.499 4.336 0 1 FIAF in-vitro CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(SC)cc1 104060253 PBLUERFOJWNDKA-IBOXJLQUSA-N 373.482 4.067 0 1 FIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccc4ccccc4c2O[C@@H]31 220421621 ZANKNNFJZLDNBC-QHCPKHFHSA-N 370.408 4.419 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586899500 YXYBDJZWMRYRFA-UHFFFAOYSA-N 357.413 4.304 0 1 FIAF CSc1ccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 586974462 UOKZZSGGJPGHMT-SFHVURJKSA-N 371.531 4.395 0 1 FIAF Fc1cc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2cc1Br 587035363 PHXUHTSTROGOGP-ZDUSSCGKSA-N 367.243 4.383 0 1 FIAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(Br)nc2[nH]1 587156829 ZWVIVTMEUQYPBL-LLVKDONJSA-N 350.191 4.390 0 1 FIAF COc1cc(F)ccc1-c1cccc(Cc2nc3cnc(Cl)[nH]c-3n2)c1 587158884 RXEUEWJRWHFGEQ-UHFFFAOYSA-N 368.799 4.363 0 1 FIAF Fc1ccc(-c2cnn(Cc3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cc1 587164952 FXSSRLMJRQMEOJ-UHFFFAOYSA-N 362.195 4.316 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccnc(Cl)c2[nH]1 587233090 HOXWRUFNWMSQKK-GHMZBOCLSA-N 350.850 4.162 0 1 FIAF O=C(/C=C\c1nc2ccc(F)c(Br)c2[nH]1)Nc1ccccc1 587244957 SSRKZDHJXYTMAS-HJWRWDBZSA-N 360.186 4.116 0 1 FIAF CCOC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346465 BWFMPTZOAPCWIA-ZAOYMGCJSA-N 370.420 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cncc(C(=O)O)c3)cc1)O2 587395810 UEZVBTYSEFUADX-HXUWFJFHSA-N 374.396 4.044 0 1 FIAF Cn1ccnc1[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515122 JMLDSGGPDFQEBQ-KSFYIVLOSA-N 350.462 4.361 0 1 FIAF C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567797 CEHPQVAUSPVWPJ-GHTZIAJQSA-N 350.345 4.408 0 1 FIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C(C)C 587765389 SZUTYJWTWMVPRS-QGHHPUGFSA-N 366.278 4.298 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3o2)N1 587779746 VPKJMUZGQRHKPU-XXFAHNHDSA-N 361.214 4.353 0 1 FIAF COc1ccc([C@H](c2ccccc2)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 587937163 NPCARCWHSDBTRY-SFTDATJTSA-N 372.428 4.475 0 1 FIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C(=O)O)cc3[nH]2)cc1 587937188 OBOPERDTYREMCQ-HXUWFJFHSA-N 358.397 4.450 0 1 FIAF Cc1ccc(C)c(Cc2nc3cccc(I)c3[nH]2)c1 587959357 QQGVULULCWYGEP-UHFFFAOYSA-N 362.214 4.375 0 1 FIAF CCn1c([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)nc2ccccc21 962639135 YADMTRAHCPXJFL-SZNDQCEHSA-N 365.477 4.039 0 1 FIAF Cc1cc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(F)cc1F 962730360 NKGWXJMBRAWPIV-HZPDHXFCSA-N 355.306 4.008 0 1 FIAF COc1ccc2c(c1)[C@H](c1cc(-c3ccccc3F)no1)N[C@H]1CC[C@@H]21 962992637 IAYLWIFAPZOQLU-DHUIEDIVSA-N 350.393 4.428 0 1 FIAF Cc1sc2c(c1C)CCN[C@@]21CN(Cc2ccccc2)C[C@@H](C)[C@@H]1C 963018498 GFWGBNGGPOLHBJ-ULYRPOKDSA-N 354.563 4.494 0 1 FIAF C[C@]1(c2cc(F)ccc2-n2ccnc2)c2c(F)cccc2C[C@H]2CCCN21 963112308 XLQNFDUODGRHTN-VGSWGCGISA-N 365.427 4.435 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@H]2c1cc2ccc(C)cc2nc1O 963268988 CSILGVRVMOLSFB-IBGZPJMESA-N 354.837 4.146 0 1 FIAF COc1ccc(N=c2[nH]c(NC3CCCCC3)ncc2F)cc1Cl 1857574371 TWGARLKXIPBSMU-UHFFFAOYSA-N 350.825 4.188 0 1 FIAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H](C)[C@@]3(OC(=O)C4=C3CCC=C4)[C@@H]21 2356367879 JRMOXPFUUJPSHB-MNKIOEDSSA-N 352.430 4.142 0 1 FIAF CC(=O)OCC(=CCO)[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)O1 2356527644 FGEVYIKISBOJQP-KAHCOFSNSA-N 364.526 4.258 0 1 FIAF COc1cc([C@@H](O)c2nc(-c3ccc(F)cc3OC)cs2)ccc1F 61906316 GQTOESWNQKUZNA-QGZVFWFLSA-N 363.385 4.187 0 3 FIAF O=C(Nc1ccc(Cl)cc1)[C@H]1Cc2c(-c3ccccc3)ccnc2O1 61929563 MHZPFWIKZPWGGV-GOSISDBHSA-N 350.805 4.344 0 3 FIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2Cc1c(O)ccc(O)c1C=O 13393227 ASIYDTZMRHYFMC-YUVXSKOASA-N 360.494 4.446 0 1 FIAF COCO[C@H]1C[C@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@@H]1N2C 28471460 VFUQRJKBLCJEIH-MLNNCEHLSA-N 367.489 4.017 0 1 FIAF CNCC[C@H](c1cc(F)cc(F)c1)N1C(=O)C(C)(C)c2cccc(F)c21 34986565 IJZRPGINHKPXPE-QGZVFWFLSA-N 362.395 4.079 0 1 FIAF C[C@H](O)CN1CCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 36160970 DGAHSQWDPUWZAR-BTYIYWSLSA-N 365.452 4.401 0 1 FIAF Cc1oc(S(=O)(=O)Nc2ccccc2)cc1NC(=O)Nc1ccccc1 40394560 JEDVSDCPSTXRCB-UHFFFAOYSA-N 371.418 4.033 0 1 FIAF CC(=O)N1N=C(Nc2nc3ccc(C)cc3s2)C[C@@H]1c1ccccc1 45254840 XXKBBHOFXXLTFC-MRXNPFEDSA-N 350.447 4.324 0 1 FIAF CCCCCCCCCCCC(=O)[C@@H]1C(=O)CCC(C(=O)OC)=C1O 70664657 BBECDQNJHXFAHF-GOSISDBHSA-N 352.471 4.441 0 1 FIAF biogenic CCc1cnc(-c2cnc(NCCOC)nc2-c2cccc(C)c2)s1 82173899 UOGODKLWZVCRKW-UHFFFAOYSA-N 354.479 4.196 0 1 FIAF COC(=O)C[C@@H]1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1 100881413 KJQOEXRCADXDKA-HXUWFJFHSA-N 363.461 4.284 0 1 FIAF O=C1[C@H]([C@H](O)c2ccc(Cl)cc2Cl)CCCN1Cc1ccccc1 103282693 IYPKGDZAEJAWFZ-FUHWJXTLSA-N 364.272 4.466 0 1 FIAF CC(C)N(C=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 169301199 LTWNPNPVOVXRJF-YLJYOXEESA-N 374.569 4.085 0 1 FIAF O=C([C@H]1[C@@H](c2ccc3c(c2)OCO3)C=C[C@@H]2CCCC[C@@H]21)N1CCCC1 238753369 QXSFPRUSCMGQOM-DZKDUJFISA-N 353.462 4.114 0 1 FIAF Cc1cccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587004573 XGRXTAKOMAEHAD-LLVKDONJSA-N 371.234 4.269 0 1 FIAF COC(=O)c1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 587069936 MKLAFRFPCMJIIE-LLVKDONJSA-N 356.809 4.379 0 1 FIAF CC(=O)O[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587099741 UVMJUTORWULWOK-CQSZACIVSA-N 357.409 4.175 0 1 FIAF Cc1nc2[nH]c(-c3cncc(C(F)(F)F)c3)nc2cc1Br 587115164 GNNVIIRHRSSAEO-UHFFFAOYSA-N 357.133 4.110 0 1 FIAF Cc1cc(Br)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 587118019 ILFBYEAHMGTLBB-UHFFFAOYSA-N 373.176 4.092 0 1 FIAF COc1c(F)ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1N 587134586 NHTBNQDDWPXWSI-UHFFFAOYSA-N 364.218 4.339 0 1 FIAF Fc1cc(CCc2nc3c(F)cnc(Br)c3[nH]2)cc(F)c1F 587139099 WAJJZHOTAAONSB-UHFFFAOYSA-N 374.135 4.062 0 1 FIAF COc1ccc(NC(C)(C)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587201930 ZKKCIZSCUOAQFN-UHFFFAOYSA-N 365.412 4.244 0 1 FIAF COc1ccc(-c2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)cc1 587412284 IOASYBDHOYSCLJ-SFHVURJKSA-N 366.442 4.416 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccsc1)([C@@H](O)c1ccsc1)O2 587412561 JCSDVWKKRLVYPO-OALUTQOASA-N 371.483 4.295 0 1 FIAF C[C@@]1(c2cn(CCN)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587515067 IZIQJRXHFGVXQO-DEOSSOPVSA-N 374.484 4.359 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2o1 587588959 VTXLVOFNBRLSLA-FXAWDEMLSA-N 359.337 4.236 0 1 FIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601513 SLINQJGXOBROIK-UGKGYDQZSA-N 362.381 4.278 0 1 FIAF CCO/C=C\[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587720854 ODVZVRPPLIDVNR-YCLKKMLZSA-N 364.205 4.133 0 1 FIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)cc1 587785151 MLPPGLKXYUFSBA-SJORKVTESA-N 357.413 4.363 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)OC(C)(C)C)N1 587790186 GIEOUOUYRUIKGI-BMLIUANNSA-N 372.278 4.069 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3[nH]2)N1 587806117 URXHMHMCWMWYDA-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF CC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587815582 NVHHKOXXUCICEB-YPMLDQLKSA-N 362.242 4.414 0 1 FIAF CC(C)Oc1cc2nc(CC(C)(C)CC(=O)O)[nH]c2cc1Br 587956073 RVQSPMVJESWPMB-UHFFFAOYSA-N 369.259 4.156 0 1 FIAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1 1857573547 URXYIEHEYCMTHH-UHFFFAOYSA-N 368.437 4.348 0 1 FIAF COC(C)(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@H](C)c2c(O)cc(C(=O)O)cc21 2356837226 LIILIPZHPPPYFU-BWQRHGBYSA-N 364.482 4.274 0 1 FIAF O=C(NCCc1ccccc1)c1nc(C(F)(F)F)[nH]c1-c1ccccc1 95600813 LHADROPQPDBPOV-UHFFFAOYSA-N 359.351 4.068 0 3 FIAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccc(Cl)cc4)ccc3N(C)[C@@H]12 13605101 FAEIGAUSWCZPCA-QUCCMNQESA-N 371.868 4.320 0 1 FIAF O=C(Nc1nccs1)[C@H]1[C@H]2CCCCC2=C2CCCC[C@@H]2[C@H]1C(=O)O 17417829 UAEKMUHPIUFOAJ-YHUYYLMFSA-N 360.479 4.089 0 1 FIAF CC(=O)N1c2ccccc2S[C@H]1c1cccc(OCCCN(C)C)c1 28007696 GJGGSGGUTSCLPQ-FQEVSTJZSA-N 356.491 4.175 0 1 FIAF NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)cc1NC1CCC1 29047451 YLPIHXQOYPCZFJ-UHFFFAOYSA-N 373.456 4.213 0 1 FIAF CNc1nnc(Cn2c(-c3ccc(Cl)cc3)nc3ccccc32)s1 29124531 KKLVMVZUURQLME-UHFFFAOYSA-N 355.854 4.298 0 1 FIAF O[C@H](CNc1ccnc(Nc2cccc(Cl)c2)n1)c1cccc(F)c1 45167920 BHRGXRLXDCEFPJ-MRXNPFEDSA-N 358.804 4.158 0 1 FIAF Fc1ccc(OCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1 73199173 NLEQSFUEJXECJY-UHFFFAOYSA-N 362.876 4.460 0 1 FIAF COc1ccccc1CCNc1cncc(Oc2cccc3cccnc23)n1 82068553 POYLPNHZVOAXHP-UHFFFAOYSA-N 372.428 4.480 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2ccccc2F)n1 82152697 HFPBVGBJYWIXBN-CQSZACIVSA-N 356.445 4.119 0 1 FIAF Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCC5)C[C@@H]3N4)cc2)c1 100099645 QHWMUFXMXWUOBX-JKHIJQBDSA-N 360.501 4.118 0 1 FIAF CO[C@@H]1C=C(CC[C@@]2(C)[C@@H]3CCC=C(C)[C@]3(C(=O)O)CC[C@H]2C)C(=O)O1 140091743 ZSKQNYQQCWYYSU-WTPAXMCGSA-N 362.466 4.086 0 1 FIAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3cccs3)cc2)C1 299845038 FPNYXMREXNRRRR-QAPCUYQASA-N 355.507 4.063 0 1 FIAF Oc1ccccc1C1(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 586896990 ONGIUKUEXWKNJZ-UHFFFAOYSA-N 365.177 4.389 0 1 FIAF Nc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1N 586974687 GAHVIYRZPBENSV-UHFFFAOYSA-N 372.053 4.464 0 1 FIAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)s1 587014965 UVABPINXUVLNTI-NSHDSACASA-N 371.441 4.417 0 1 FIAF CCOC(=O)Cc1ccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2c1 587022072 VBIHFIXNRJQKNL-UHFFFAOYSA-N 366.446 4.096 0 1 FIAF COC(=O)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587049488 LYMPNXMQKSLDGC-RKDXNWHRSA-N 362.216 4.322 0 1 FIAF Nc1cccc(O)c1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587250862 TZWPJVVNKKDWLY-UHFFFAOYSA-N 372.144 4.299 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccncc1)(c1ccc(F)cc1)O2 587384028 JEJMQGTVBMSTNR-JOCHJYFZSA-N 362.404 4.215 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3cccnc3)cc1)O2 587394616 JBKXNQPVUUADAL-OAQYLSRUSA-N 360.413 4.258 0 1 FIAF CCOc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@@H](C)C2 587407592 DASOEVIANGCOLD-FKIZINRSSA-N 353.418 4.006 0 1 FIAF Cc1cccc2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n12 587586212 JIXBDAGJQICHDD-KNQAVFIVSA-N 372.380 4.051 0 1 FIAF CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595647 LMXUIAAQBRONOO-KNQAVFIVSA-N 362.381 4.494 0 1 FIAF COc1ccc(OC)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1OC 587794419 MNINZXINPVHYKL-UHFFFAOYSA-N 370.302 4.414 0 1 FIAF Cc1cnc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587802372 LVXHCKTUMWRJLX-BTDLBPIBSA-N 374.257 4.397 0 1 FIAF CCCC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815566 NTWBSSOPQVAJQS-BBATYDOGSA-N 368.290 4.487 0 1 FIAF Cc1nc(-c2ccccn2)nc(-n2nc3cc2Oc2ccc(F)cc2-3)c1C 587874758 JSMBTZZAPXDVIR-UHFFFAOYSA-N 359.364 4.253 0 1 FIAF COc1ccccc1CC(=O)c1nc2c(C)c(Br)ccc2[nH]1 587928896 DFUYPOKHPQTDAB-UHFFFAOYSA-N 359.223 4.068 0 1 FIAF Oc1nc(NCc2ccccc2)c2nc(CC3CCCCCC3)nc-2[nH]1 587961117 POXGYCQMUVWWKS-UHFFFAOYSA-N 351.454 4.135 0 1 FIAF CC(C)Oc1cccc(-c2cn3c(-c4cccc(CO)c4)cnc3cn2)c1 653667735 MMKGTIBXEQGDBL-UHFFFAOYSA-N 359.429 4.343 0 1 FIAF CCN[C@H](C)[C@@]1(c2ccccc2)c2cc(OC)ccc2CCN1C(C)C 962095457 YTHAFQXKXZJYFB-WZONZLPQSA-N 352.522 4.203 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@]31c2cc(Cl)ccc2C[C@H]1C 963051771 ZEACDFCIOVWQKL-MCMMXHMISA-N 364.876 4.478 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1oc2cc(O)ccc2c1C 963642718 ZESLGRFKSSFTGI-YTEVENLXSA-N 367.445 4.262 0 1 FIAF COc1cc(C(=O)N[C@H](C)c2c(F)cccc2Cl)ccc1-c1cn[nH]c1 1772588378 KSEWBEGMKXXEAT-LLVKDONJSA-N 373.815 4.369 0 1 FIAF CC(=O)n1cc(C(=O)Nc2cc(C(=O)O)cc(C3CC3)c2)c2ccccc21 1857631939 WFCYLOZOPKWIHK-UHFFFAOYSA-N 362.385 4.129 0 1 FIAF Cc1cc2c(cc3c(SCC(=O)Nc4ccccc4)nnc(C)n32)s1 1857644293 QBAHXCDTXXQRKV-UHFFFAOYSA-N 368.487 4.292 0 1 FIAF COC(=O)c1ccc(CSc2c(O)cc(-c3ccccc3)oc2=O)cc1 6482662 ATCBDXYOSWJKFZ-UHFFFAOYSA-N 368.410 4.091 0 1 FIAF CC[C@H](O)CCCCCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460227 PNBIZNWWGNJKRU-DOTOQJQBSA-N 350.455 4.071 0 1 FIAF biogenic CCCCCC(=O)OC[C@]1(CO)C/C(=C\CC(C(C)C)C(C)C)C(=O)O1 13805669 BWJOJZPMFILAAD-AKCCUMBPSA-N 368.514 4.033 0 1 FIAF COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(N(C)C)cc2)cc1 14945102 AICMELCBVMDBIX-UHFFFAOYSA-N 360.417 4.214 0 1 FIAF CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)NCn1cc(-c2ccccc2)nn1 17261346 IAPQUATXEHBRED-AYBZRNKSSA-N 356.470 4.090 0 1 FIAF COc1ccc(Cl)cc1-c1cc(Nc2ccc3c[nH]nc3c2)nc(N)n1 26385105 SRPRDKREGMVGQM-UHFFFAOYSA-N 366.812 4.008 0 1 FIAF OC[C@H](O)COc1ccc([C@H]2Oc3ccccc3C=C2c2ccccc2)cc1 26947974 MONAQZFBYNPVGC-GBXCKJPGSA-N 374.436 4.093 0 1 FIAF CC(=O)N(C)c1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl 27412316 LIYAGAFRDRZXAI-UHFFFAOYSA-N 361.232 4.290 0 1 FIAF CN1CCN(CCS[C@@H]2Cc3ccccc3Oc3ccccc32)CC1 27557843 HLOMVZJSKLNCLT-OAQYLSRUSA-N 354.519 4.057 0 1 FIAF CCCCCNc1ncnc2c1nc(C(C)C)n2CC[C@H]1CCCN1C 82186815 JUYLAQNVXWNKFX-MRXNPFEDSA-N 358.534 4.036 0 1 FIAF CN1CCC(Oc2ccc3cc(-c4cccc(F)c4)c(=O)oc3c2)CC1 84655317 AJJMXUAVQPRKFS-UHFFFAOYSA-N 353.393 4.072 0 1 FIAF O=C(Nc1ccccc1)c1sc2cc(C3=NCCN3)ccc2c1Cl 84690252 OLDZSHFGXLMQLA-UHFFFAOYSA-N 355.850 4.157 0 1 FIAF O=C(CC[C@@H]1CCC(=O)[C@@H]1CCCCCCCO)COc1ccccc1 95564787 CQGDJYVHVNYIMQ-WIYYLYMNSA-N 360.494 4.343 0 1 FIAF in-man O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Br)cc1 98084722 KPYKTJZLRGBKTQ-ZPUQHVIOSA-N 372.218 4.386 0 1 FIAF Nc1cccc(CCc2cc(Br)c(O)c(Br)c2)c1 139477890 VNRCFTOXGLYVSP-UHFFFAOYSA-N 371.072 4.285 0 1 FIAF C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166913117 PGIIJRZOQWKCSA-IYBDPMFKSA-N 363.461 4.247 0 1 FIAF COC(=O)c1ccccc1-c1ccc(CN2C[C@H]3C[C@H](C)C[C@@H]2O3)cc1 169352664 MELVEFIJNDKOIJ-KLHJMIIUSA-N 351.446 4.097 0 1 FIAF CCCCCOc1cc(/C=C/C(=O)NCCc2ccncc2)ccc1OC 201005641 CVRCPDLJKDXEFA-VQHVLOKHSA-N 368.477 4.031 0 1 FIAF Clc1ccccc1-c1noc2c(-c3cncnc3-n3nccn3)cccc12 205212789 MMZOEOWRRBYQGX-UHFFFAOYSA-N 374.791 4.186 0 1 FIAF OCc1ccc(-c2cc(Cl)cc(-c3nc4c(Cl)ncnc4[nH]3)c2)cc1 587067741 NHEYVNRIRGWSLO-UHFFFAOYSA-N 371.227 4.486 0 1 FIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2c(F)cnc(Br)c2[nH]1 587148862 DINSIBCXWZVXLE-ZCFIWIBFSA-N 372.144 4.278 0 1 FIAF Fc1nc(Cl)ccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587177185 BPOLKZKGYSZWDA-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF Cc1nccc2[nH]c(-c3cc(Cl)cc(I)c3)nc12 587182827 PAPLIXYXQUXBGM-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF COc1ccc(NC(C)(C)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587200831 AFKWTKOKCJIPQT-UHFFFAOYSA-N 361.348 4.240 0 1 FIAF CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H](c3cc4c5c(cccc5n3)CC4)C[C@]12O 587215642 KYBHRLHIIKPFBC-DDVTWJISSA-N 365.517 4.375 0 1 FIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587429550 PJONOAZCXQRHCM-GPEVBYCZSA-N 363.457 4.030 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1N1C[C@H](C)C[C@@H](C)C1)[C@@H](C2)C3=O 587438564 QFXISERGZBFJQW-FYOUAOFISA-N 369.505 4.102 0 1 FIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Cl)cccc12 587496262 ASMZEKLOMCMFPR-FQEVSTJZSA-N 353.805 4.032 0 1 FIAF COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(C)=O 587522644 GMLLBUCHICJJNU-HXUWFJFHSA-N 366.413 4.206 0 1 FIAF Cc1cc(C)cc(OCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587564370 JXBCFXDBZPGMDK-UHFFFAOYSA-N 356.735 4.173 0 1 FIAF Cc1cccc(N)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578089 MBOKMHDCHWTGCU-SIKLNZKXSA-N 361.397 4.160 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cn(C)nc23)N1 587761793 WFGYXGPRLQWDFB-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF O=C(O)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587783161 YMZGOJRGEKGRPN-UHFFFAOYSA-N 360.369 4.213 0 1 FIAF CC[C@H](C)OC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587796311 UAYWKRZWGIUHLA-RLFDGXBXSA-N 372.278 4.069 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ncccc23)N1 587801673 HSFGONMTNDUTQO-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF Cc1c(O)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821843 KCTHXTOGMXAQQQ-HUTHGQBESA-N 350.231 4.226 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCSCC2)N1 587858584 RTHQDPOSHBWESN-QFYYESIMSA-N 358.320 4.481 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncccc1C(F)(F)F 587870904 KXLDKTCIERWJNG-UHFFFAOYSA-N 351.303 4.491 0 1 FIAF Cc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1C 587924452 ZCKPEZRFWBFWEE-UHFFFAOYSA-N 358.488 4.465 0 1 FIAF COc1ccc(CCCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1OC 587926411 YWPLEVQDCAPALZ-UHFFFAOYSA-N 368.330 4.312 0 1 FIAF COc1cccc2cc3c(nc12)[C@](c1ccccc1)(c1nccs1)NCC3 963057811 ORSWNQYYDWIFBX-JOCHJYFZSA-N 373.481 4.138 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1[nH]c2ccc(F)cc2c1C 963634071 IXZQHKHQPXOQRP-WIUDPPPLSA-N 354.425 4.256 0 1 FIAF C[C@@H](NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccc(C(=O)O)cc1 1857548031 IRFKCTPXKQDFLD-LLVKDONJSA-N 356.809 4.021 0 1 FIAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)c1ccc(Cl)cc1)C2 2356292797 ACYDSVGZWDRPIR-QGZVFWFLSA-N 370.836 4.020 0 1 FIAF COc1cc(-c2cccn2-c2ccc(N(C)C)cc2)cc(OC)c1OC 2382236947 BYNGEHMCLSKLEC-UHFFFAOYSA-N 352.434 4.236 0 1 FIAF COc1ccc(C2=NC[C@@H](C)n3nc4cc(C(F)(F)F)ccc4c32)cc1 206061432 KEOXUMJDFCXWOL-LLVKDONJSA-N 359.351 4.476 0 3 FIAF O=C1[C@H]2[C@@H]3S[C@@H](c4cc5ccccc5cc43)[C@H]2C(=O)N1c1ccccc1 5883315 FKHRJQRQRDBPQA-FGYAAKKASA-N 357.434 4.488 0 1 FIAF C[C@@H]1CCC[C@@H](NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)[C@@H]1C 12634772 LPFCQNJZJVZEND-SZXPJGKVSA-N 370.522 4.094 0 1 FIAF CC1(C)CCC[C@H]1CNC(=O)c1ccc(-c2nc(CC3CC3)no2)cc1 13864693 VUAVVASOIWWPDG-KRWDZBQOSA-N 353.466 4.245 0 1 FIAF CN1CC2=C(N=C(S)N[C@@H]2c2cccs2)/C(=C/c2cccs2)C1 26732679 YNDASWLZIZPTTP-KXKDPZRNSA-N 359.545 4.023 0 1 FIAF O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccccc2)c1 28387569 NIPRNSKRPAQDSP-HSZRJFAPSA-N 356.469 4.358 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)C2=C1C(=O)C(C(C)C)=C(O)C2=O 28536665 XDBVTCDGDQLEKG-XDEPDNQISA-N 374.477 4.071 0 1 FIAF biogenic Nc1ccnc(N2CCC3(CC2)O[C@@H](c2ccccc2)c2ccccc23)c1 40949989 NPAADSKMLSZJIV-QFIPXVFZSA-N 357.457 4.279 0 1 FIAF O=C(Nc1cccc(F)c1)Nc1cccn(Cc2ccccc2Cl)c1=O 64436472 ILTOWJWTXZWTIC-UHFFFAOYSA-N 371.799 4.333 0 1 FIAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2cc(-c3ccccc3)on2)cc1 100106173 KXHOBNZQFXVTNO-PPWHYMAESA-N 371.484 4.315 0 1 FIAF C[C@H]([18F])C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 101031963 QPOSPHNNBYIFHO-VQOOMOCHSA-N 353.472 4.085 0 1 FIAF COc1ccc(N(C(=O)/C=C/c2ccccc2)C2=C[C@@H]3CC[C@@H](C2)N3C)cc1 169294544 XMEGHXYPMWYZPW-HXZRSUGMSA-N 374.484 4.492 0 1 FIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccc4ccccc4c2O[C@H]31 220421548 ZANKNNFJZLDNBC-HSZRJFAPSA-N 370.408 4.419 0 1 FIAF C[C@H](Sc1ncccn1)c1nc2c(Cl)c(Br)cnc2[nH]1 586960817 CRCKPNHHGTVQJR-LURJTMIESA-N 370.663 4.017 0 1 FIAF Fc1cc2[nH]c(-c3csc4c3CCOC4)nc2cc1Br 587032458 WIPKHUOZOBGYBZ-UHFFFAOYSA-N 353.216 4.266 0 1 FIAF Fc1c(Br)ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587034041 BXJKGOZSKZWJJF-LLVKDONJSA-N 367.243 4.383 0 1 FIAF Fc1ccc(-c2nc3c(Br)cccc3[nH]2)nc1Br 587156142 WMNRROOCXJYJDJ-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF CC(C)[C@H](c1nc2c(F)cnc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197278 CFJMNEZVBSDHRF-GFCCVEGCSA-N 356.829 4.314 0 1 FIAF CC(=O)N[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587206465 MYVPRHLZNZMQOK-INIZCTEOSA-N 361.367 4.310 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C=O)cn3)cc1)O2 587394441 USVITBFOEJFICR-NRFANRHFSA-N 358.397 4.158 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c(C)c(C(=O)OCC)c1C)CC2=O 587481698 HJDNEFAXLZUKMZ-KRWDZBQOSA-N 371.433 4.173 0 1 FIAF COc1c(F)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555898 HPGNGZNADYYPEZ-UWJYYQICSA-N 366.344 4.243 0 1 FIAF Oc1nc(O)c2ccc(-c3ccc(-c4ccccc4Cl)s3)nc2n1 587564900 YWLOGJVNKVETOC-UHFFFAOYSA-N 355.806 4.485 0 1 FIAF CC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587612729 MSGWMILCQSZTJW-XLIONFOSSA-N 366.394 4.359 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)c(F)c2)N1 587726823 LCLAIXSYQJAKIJ-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2F)N1 587731284 YWLNMXGGBUPDHI-BCTVWOGZSA-N 354.194 4.057 0 1 FIAF CC(C)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C 587763835 MVDKKHMGYORPRN-DYZYQPBXSA-N 366.278 4.069 0 1 FIAF CCCn1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587763862 MZZWDOLWRAWVOW-BTDLBPIBSA-N 366.278 4.127 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCOC(C)(C)C2)N1 587835603 WLHKPSLAWWSGST-NSODJVPESA-N 356.279 4.369 0 1 FIAF CCc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856200 WSBCWIVFIGKHRY-CLAHSXSESA-N 355.276 4.231 0 1 FIAF CC(C)C(=O)Nc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873014 ANUITIRYNIYNII-UHFFFAOYSA-N 365.364 4.078 0 1 FIAF COc1ccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1OC 587925539 CICAIYNWUBGOGQ-UHFFFAOYSA-N 354.303 4.329 0 1 FIAF COc1ccc(OC)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1OC 587927433 UOQVGUJPKQCZEW-UHFFFAOYSA-N 368.311 4.154 0 1 FIAF CCOC(=O)[C@]1(c2cccs2)c2ccsc2CCN1Cc1ccco1 962707998 MFHFEUXOBMBGOJ-LJQANCHMSA-N 373.499 4.268 0 1 FIAF O=C([C@@H]1Cc2ccccc2[C@@H](COc2ccc(Cl)cc2)N1)C(F)(F)F 962731019 PYZZSGINAKCIMU-JKSUJKDBSA-N 369.770 4.106 0 1 FIAF Fc1cccc2c1[C@H](c1cccnc1OCC(F)(F)F)N1CCC[C@@H]1C2 963095091 CGAMAZJKQUWBNP-DYVFJYSZSA-N 366.358 4.272 0 1 FIAF Cc1cc(Cl)c2nc(CCc3nc4c(C)ncc(C)n4n3)ccc2c1 1772642620 CIEPFSOSKLIFON-UHFFFAOYSA-N 351.841 4.036 0 1 FIAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@@H](N(C)C)C2 1857578481 RAWCFFYNCXIPFN-GFCCVEGCSA-N 371.531 4.402 0 1 FIAF CC(=O)Nc1ccc2c(-c3cc(C(F)(F)F)ccc3O)ccnc2c1O 1857612659 RHBZTJCSGOORBH-UHFFFAOYSA-N 362.307 4.290 0 1 FIAF Cc1cc(C)cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)c1 12469075 LVZFCPBLSNXJPR-HXUWFJFHSA-N 354.469 4.179 0 3 FIAF Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)Cc2ccc(C(C)C)cc2)cc1 61904260 YZUGASLHVQHBGW-QHCPKHFHSA-N 364.489 4.291 0 3 FIAF COc1ccccc1-c1csc([C@@H](NC(C)=O)c2ccc(F)c(F)c2)n1 61925629 SFTCPYYJJVJWRG-SFHVURJKSA-N 374.412 4.322 0 3 FIAF CCCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1 28345356 DATDYVCOMLKOQI-UHFFFAOYSA-N 356.466 4.174 0 1 FIAF C[C@](CO)(CCCOCCC[C@@](C)(CO)c1ccccc1)c1ccccc1 28459782 UKNKRMSLEXHXAN-PSWAGMNNSA-N 370.533 4.464 0 1 FIAF CC(=O)Nc1ccc(C2=Nn3cc(C)nc3Cc3ccc(Cl)cc32)cc1 28528251 WBAZAIVLRNYWOM-UHFFFAOYSA-N 364.836 4.008 0 1 FIAF CCN1CC[C@@H](CN(Cc2ccccc2)Cc2c(F)cccc2F)OC1=O 40556721 NWHCHGBNOASNDP-KRWDZBQOSA-N 374.431 4.198 0 1 FIAF CC[C@@H](C)CCOC(=O)c1cc(CO)cc(C(=O)OCC[C@H](C)CC)c1 40833873 DCCCMTWRVXIVEE-HZPDHXFCSA-N 364.482 4.365 0 1 FIAF c1ccc2c(Cc3nnc(SCCN4CCCCC4)o3)cccc2c1 49035076 FROFQENIHFCTIW-UHFFFAOYSA-N 353.491 4.392 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccco2)n1 82216533 AFFQRRIKLOROGT-CQSZACIVSA-N 356.470 4.352 0 1 FIAF CC1=CC[C@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@@]12CC[C@@](C)(CC(=O)O)O2 85694593 KPFMUHQQIIEYKL-KATXQCMRSA-N 350.455 4.016 0 1 FIAF biogenic COc1cc(NC(=O)[C@H](C)c2cccc(F)n2)ccc1-c1ccnc(C)c1 95572498 LRRQWOUITVTVKQ-CQSZACIVSA-N 365.408 4.342 0 1 FIAF C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cccc2cc[nH]c12 96175600 AZVRNCHGYXJASK-HUUCEWRRSA-N 367.424 4.022 0 1 FIAF COC(=O)[C@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@H]1C3 140239795 USASLHCCADYMNF-GJAHBXPJSA-N 362.510 4.362 0 1 FIAF Cc1cc(C)c2nc(C(F)(F)F)cc([C@@H](O)C[C@H]3CCCCN3)c2c1 169334035 KXGCWJQQFJMQKK-CJNGLKHVSA-N 352.400 4.436 0 1 FIAF Cc1cc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)no1 224560645 OZGXXNSOVAPHPG-UHFFFAOYSA-N 354.385 4.008 0 1 FIAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 473233303 PDXXCGKDIOBOCD-PDOWOGIDSA-N 353.506 4.269 0 1 FIAF Cc1cncc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586986363 WUUCCRYGVYQTQO-KRWDZBQOSA-N 371.282 4.214 0 1 FIAF Cn1cc(-c2ncc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)s2)cn1 587021161 FYBSDYNUPDGKGV-UHFFFAOYSA-N 351.769 4.019 0 1 FIAF COC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587049485 LYMPNXMQKSLDGC-DTWKUNHWSA-N 362.216 4.322 0 1 FIAF N=C(N)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064357 JMPJOCAEOKFCCK-UHFFFAOYSA-N 366.808 4.339 0 1 FIAF COc1nccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c12 587064768 GKTDBYGDTYBPTA-UHFFFAOYSA-N 353.813 4.089 0 1 FIAF N=c1[nH]ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587071384 LVVLPBVNGUGLCT-UHFFFAOYSA-N 356.216 4.406 0 1 FIAF COC(=O)c1ccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2n1 587111830 BIWKZMXKULFBKF-SNVBAGLBSA-N 363.339 4.110 0 1 FIAF COc1ccc(C(=O)c2ccccc2-c2nc3c(C)ccnc3[nH]2)cc1F 587144173 IWQOAQAEHTWLOJ-UHFFFAOYSA-N 361.376 4.312 0 1 FIAF NC(=O)Nc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587243219 GLUVCRHFFIUWAT-UHFFFAOYSA-N 358.401 4.300 0 1 FIAF CC(C)(C)[C@H](N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587257519 DEDDQIBURRIDQQ-SNVBAGLBSA-N 350.182 4.390 0 1 FIAF O=C(CCS(=O)(=O)c1ccc(F)cc1)c1coc2ccc(Cl)cc12 587279286 QSKXXIVPGDYWIH-UHFFFAOYSA-N 366.797 4.272 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccc(F)cc3)c1C)O2 587383302 AOAJHQLAAZSZNJ-LJQANCHMSA-N 365.408 4.225 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1OCC1CC1)[C@@H](C2)C3=O 587428375 MTEBFUVWJGYJMM-KKSFZXQISA-N 354.377 4.112 0 1 FIAF COc1cc2c3c(c1)O[C@](Cc1ccncc1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587435004 ASWWSOURJHHICB-GBXCKJPGSA-N 371.436 4.284 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccnc1OC(C)C)CC2=O 587487730 NOCWPMKKPUFXNA-NRFANRHFSA-N 355.434 4.408 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(O)c(C)c(C)c1O)CC2=O 587487763 IGZWNGKXVYDCLO-QGZVFWFLSA-N 356.418 4.388 0 1 FIAF Cn1cc(-c2csc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)cn1 587536550 WBYFCBHSDYITEY-SFHVURJKSA-N 365.458 4.129 0 1 FIAF C/C=C(\Br)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587669555 FBAHBTLXPYOWNE-MMLLYGJTSA-N 363.068 4.462 0 1 FIAF CC/C(C)=C(/N)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587746765 HWODNGYXUOKXIU-NBLDHWDGSA-N 355.295 4.370 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N(C)C)N1 587755033 LNJHXQVGQGGARN-VOJFVSQTSA-N 363.274 4.278 0 1 FIAF CCOc1ccc(OCC)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587779248 ZQUXKEVCDWFNKT-UHFFFAOYSA-N 362.332 4.349 0 1 FIAF Cc1c[nH]c2c1[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587804481 RCDDBTBLQAVPEJ-ADLMAVQZSA-N 363.274 4.339 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(F)c(F)c1 587868683 RPQUOJLESDBOQI-UHFFFAOYSA-N 369.293 4.299 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3ccc(Br)c(O)c3[nH]1)CC2 587934662 MDPLJKNZLYQYKP-LLVKDONJSA-N 373.250 4.312 0 1 FIAF CC1=CS[C@@](OCC2CCCCC2)(c2ccccc2)c2noc(=O)n21 653886885 BIXWWUCANYDHGH-IBGZPJMESA-N 358.463 4.199 0 1 FIAF CC1(C)C[C@]2(CCO1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962649555 XMJYMKXQCDNMDA-ZJSXRUAMSA-N 362.517 4.218 0 1 FIAF Cc1ccc(C(=O)C[C@@]2(C(C)(C)C)NCCc3nc4ccccn4c32)cc1 962984664 FOHUILZNZYBKKV-HSZRJFAPSA-N 361.489 4.303 0 1 FIAF C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@@]5(O)C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356484863 KFVZDOJVWHIDNK-FABVUKNUSA-N 374.613 4.004 0 1 FIAF N=c1[nH]cc(-c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)[nH]1 2382238495 BUYFKOHNCFMMJU-UHFFFAOYSA-N 362.220 4.440 0 1 FIAF COc1cc(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)cc1)C[C@H]2O 14762592 VLWJOYMOYMWONM-SJLPKXTDSA-N 356.418 4.172 0 1 FIAF biogenic CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)OCO3)CC2=O 14819257 PAUXUELQYNEFMK-IBGZPJMESA-N 352.386 4.336 0 1 FIAF biogenic COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(-c4cn(C)cn4)cc3)c1C2 28954381 WXTZNOURDMWZQW-UHFFFAOYSA-N 372.428 4.066 0 1 FIAF O=c1c2ccccc2n2c(-c3ccccc3)nnc2n1-c1ccc(Cl)cc1 40895008 FIFPVQBDMTVACI-UHFFFAOYSA-N 372.815 4.354 0 1 FIAF Cc1cc(Nc2nccc(-c3nc(CO)cs3)n2)cc(C(F)(F)F)c1 40938833 IUEXHNTZDWOAIZ-UHFFFAOYSA-N 366.368 4.163 0 1 FIAF COc1cccc(CNc2cncc(Oc3cccc(F)c3)n2)c1OC 82068664 TUUNUNSOCPDQME-UHFFFAOYSA-N 355.369 4.037 0 1 FIAF Cc1cccc(C)c1Nc1nnc([C@@H](O)c2cccc(N(C)C)c2)s1 82078338 KMFAFEUYQOJFPL-KRWDZBQOSA-N 354.479 4.046 0 1 FIAF C=C(CNC(=O)[C@@H](O)CCCCCCCCCCCCCC)C(=O)OC 85894001 KDLXDSPUOIXPLQ-IBGZPJMESA-N 369.546 4.284 0 1 FIAF biogenic C=C/C(C)=C\C[C@H]1[C@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]21C 85993544 COFSRJDBTTZNBZ-ZQUAJKCZSA-N 364.526 4.015 0 1 FIAF in-man COc1cccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)c1 95568785 ILPKDJDZIKMYPJ-UHFFFAOYSA-N 369.428 4.221 0 1 FIAF COc1cccc(-c2cccc([C@]3(c4ccncc4)N=C(N)CS3)c2)c1 96906035 PEXWMBKSLYMVGI-OAQYLSRUSA-N 361.470 4.062 0 1 FIAF CC(C)OC(=O)CCCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 96911372 VELFQRXGQQEDQS-HXUWFJFHSA-N 365.901 4.390 0 1 FIAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)C1 96929237 KKKDKPNLCGIUKS-HRAATJIYSA-N 367.468 4.141 0 1 FIAF O=C(NCc1ccccc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 96934959 SOBBQNAAVLCKDX-UHFFFAOYSA-N 368.436 4.189 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H]2CC[C@H](O2)[C@H]1C/C=C\CCCC(=O)O 100789646 IWSCITFBDCQRGG-ZROIZPOGSA-N 350.499 4.479 0 1 FIAF Cc1cccc(OCc2nc(=S)nc3oc(-c4ccccc4)nn23)c1 103168456 DARVXOFGRFCZFS-UHFFFAOYSA-N 350.403 4.001 0 1 FIAF Cn1c(COc2ccc(Cl)cc2Cl)nc2ccc(Cl)cc2c1=O 103198997 ULVRKWXHUGKDNR-UHFFFAOYSA-N 369.635 4.473 0 1 FIAF COc1cc(O)ccc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 166837401 GYKZZSDJTVJBHL-UHFFFAOYSA-N 356.385 4.487 0 1 FIAF COC(=O)[C@H]1C[C@H]2CC[C@H]([C@H]1c1cccs1)N2CCc1ccccc1 169335632 VBIRJBDATDEWNQ-RMJJICAUSA-N 355.503 4.100 0 1 FIAF CC[C@H]1[C@H]2Cc3ccc(OC(=O)c4cccnc4)cc3[C@@]1(CC)CCN2C 169346424 XNTUJNTYBIMWBM-WPYKKVEZSA-N 364.489 4.235 0 1 FIAF O[C@H](COc1cccc(-c2ccccc2)c1)CN1CCc2ccccc2C1 218388236 OPPYETVGOHOJBN-QHCPKHFHSA-N 359.469 4.152 0 1 FIAF CC(C)Oc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984153 NLXHBWQUFLSFOG-OAHLLOKOSA-N 374.282 4.355 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]([C@@H]1CCOC1)CC3 586992825 YESKGZLUBJJOSU-UONOGXRCSA-N 371.436 4.293 0 1 FIAF CCCn1cnc2cc(-c3nc4c(C)ccnc4[nH]3)cc(Br)c21 587004701 YZWSMMRZIMISSE-UHFFFAOYSA-N 370.254 4.456 0 1 FIAF NC(=O)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587015476 FCIMXKFJDZSTCV-UHFFFAOYSA-N 354.822 4.106 0 1 FIAF Cc1cc(F)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 587076759 OUBRFVARWYKGFC-UHFFFAOYSA-N 356.788 4.499 0 1 FIAF C[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)n1cc(Cl)cn1 587080618 XAOQMKFTQNZFDU-LURJTMIESA-N 360.042 4.438 0 1 FIAF Cc1cc(Br)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 587117607 FKNTYPFBSBIHTK-UHFFFAOYSA-N 373.176 4.092 0 1 FIAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cnc(Cl)[nH]c-3n2)cc1F 587148940 FAYFDDVTJSFPQA-OAHLLOKOSA-N 372.762 4.405 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C)C(=O)O)(c1ccc(Cl)cc1)O2 587376455 CZSSQSRSTNAHJU-FKIZINRSSA-N 373.836 4.202 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OC(F)(F)F)c1F)O2 587382494 MDBJCMHTSNCAKS-QGZVFWFLSA-N 369.314 4.496 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3cccnc3)c1)O2 587395611 SKSAFCOVKZXVBR-NRFANRHFSA-N 360.413 4.258 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3cc4c(cc31)CCCC4)O2 587407541 CGMLKCXLHFFUKI-QHCPKHFHSA-N 363.457 4.489 0 1 FIAF COc1cc2c3c(c1)O[C@H](CCc1ccc(OC(C)C)cc1)[C@@H](C2)C3=O 587440823 QTRWAJYJNAZXGX-RTBURBONSA-N 352.430 4.231 0 1 FIAF Nc1ccc2c(c1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578223 NGDZXPALOFHRML-NZQKXSOJSA-N 373.408 4.168 0 1 FIAF CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595646 LMXUIAAQBRONOO-DENIHFKCSA-N 362.381 4.494 0 1 FIAF CC[C@]1(Cc2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617005 NXABKTIMBJSPBQ-GHTZIAJQSA-N 350.370 4.338 0 1 FIAF C[C@@]1(Cc2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617566 KIDWWARZJXIONG-XLIONFOSSA-N 352.411 4.417 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN=O)(c2ccccc2)N1 587741517 NXSHHSMQXQWBRA-PIGZYNQJSA-N 363.230 4.132 0 1 FIAF Cc1ccc2[nH]nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587798682 VFEXHBCPNVJLKG-BMLIUANNSA-N 374.257 4.397 0 1 FIAF CC(=O)SCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587847660 UZZKDIRHXKCUMX-RFAUZJTJSA-N 360.292 4.223 0 1 FIAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)c1 587932143 ODZBCZHAUCCDFK-UHFFFAOYSA-N 360.413 4.146 0 1 FIAF COc1cc2ncnc(Nc3cc(O)c(Cl)cc3Cl)c2cc1OC 653726528 QRUAIHIOEIIASP-UHFFFAOYSA-N 366.204 4.403 0 1 FIAF COc1cc2c(cc1OC)[C@](C)(CCc1ccc(O)c(F)c1)N(C)[C@@H](C)C2 962631959 OICYZQGFRMHWTE-FPTDNZKUSA-N 373.468 4.273 0 1 FIAF Cc1sc2c(c1C)CCN[C@H]2c1ncc(Cl)cc1Br 963034133 XOYYKPLDTSQTCE-ZDUSSCGKSA-N 357.704 4.411 0 1 FIAF C[C@]1(c2nc(Br)cs2)c2ccc(F)cc2C[C@@H]2CCCN21 963110519 VPEWADYYLSDBGJ-BLLLJJGKSA-N 367.287 4.329 0 1 FIAF COc1ccccc1NC(=O)c1c(N)cccc1Sc1ccncc1 1857544470 UJFSMHLIFIVJMO-UHFFFAOYSA-N 351.431 4.076 0 1 FIAF CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)[C@H]3CCCC[C@@H]1[C@H]32 2356346633 VLCNUQYQHZUOOD-QEGWLQOHSA-N 374.521 4.214 0 1 FIAF C[C@@H](CCO)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 2382241026 IIOVYSOZNMWDPK-JTQLQIEISA-N 369.248 4.134 0 1 FIAF O=C(Nc1nnc(-c2cccs2)o1)c1ccc(SC(F)F)cc1 2382252458 GRPBARKRPFRPRH-UHFFFAOYSA-N 353.375 4.365 0 1 FIAF COCCNc1nc(Nc2ccc(Cl)cc2F)c2sccc2n1 61895465 PHHFUEAQDNFROX-UHFFFAOYSA-N 352.822 4.286 0 3 FIAF C[C@]1(Cc2ccc3c(c2)OCO3)C(=O)Nc2c(Cl)ccc(Cl)c21 61927100 IZRNPEZAXBZZDZ-QGZVFWFLSA-N 350.201 4.175 0 3 FIAF Cc1ccccc1NC(=O)C[C@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 74373798 NSPFWCFXDXBMRO-LJQANCHMSA-N 357.841 4.017 0 3 FIAF C[C@H](NC(=O)[C@]1(C)CON=C1c1ccc(Cl)cc1)c1ccc(F)cc1 768755 ANMJFWKBHAFJRW-HXPMCKFVSA-N 360.816 4.097 0 1 FIAF Cn1c(=O)ccc2cc(COc3cccc(C4(C)CCOCC4)c3)ccc21 13733404 BXQNKIDKQSPDNB-UHFFFAOYSA-N 363.457 4.186 0 1 FIAF CCN(CC)c1ccc(NC(=O)[C@H]2CCc3cccc(OC)c3C2)cc1 13979176 MUEJGGRERLSFOU-KRWDZBQOSA-N 352.478 4.285 0 1 FIAF CN(C)[C@H](c1ccccn1)C1CCC(CNC(=O)CC2CCCC2)CC1 19581661 UTADVVGQSDLMRJ-AJTFCVKESA-N 357.542 4.187 0 1 FIAF Cc1ccnc2c1nc(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1 26269445 GEKQJRHOBXNXBL-UHFFFAOYSA-N 357.413 4.462 0 1 FIAF CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(C(=O)O)cc2C1=O 28956460 DQMAMZIHAWFLJU-UHFFFAOYSA-N 351.402 4.432 0 1 FIAF O=C1N[C@@H]2CCCC[C@H]2N1C1CCN([C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 34281877 RVFJUGFEQYVYCP-GBMAXXPESA-N 359.558 4.146 0 1 FIAF CC(C)(C)OC(=O)N1CC2(C1)C(=O)N(c1ccccc1)[C@H]2c1ccccc1 40413853 LZXSACDKWRAVTD-SFHVURJKSA-N 364.445 4.012 0 1 FIAF O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CCc1ccccc1 71317191 CRSVHOLZRHTWNB-UHFFFAOYSA-N 353.421 4.209 0 1 FIAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccc(Cl)cc3)C2)cc1 73310954 RTGHDFBNYWRBCB-KRWDZBQOSA-N 369.877 4.429 0 1 FIAF CC[C@H](C)NC(=O)c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1 82140589 ZFEWKZNXTAHKKE-ZDUSSCGKSA-N 356.445 4.166 0 1 FIAF Cc1ccccc1-c1nc(=O)n(-c2ccc(OC(F)(F)F)cc2)s1 103189114 ATBGLBBCUWGSQZ-UHFFFAOYSA-N 352.337 4.168 0 1 FIAF O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)CNc1ccccc12 141953406 HKQVHJRZJYPGJU-UHFFFAOYSA-N 365.864 4.421 0 1 FIAF Nc1ccc(-c2ccc3nc([C@@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)cc1N 586885681 NISKJYWVTXFCNZ-OWCLPIDISA-N 358.445 4.033 0 1 FIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 586906583 DEKUQKGNOSFGEX-SECBINFHSA-N 350.296 4.042 0 1 FIAF O=C(O)c1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012441 JOCAHFHDHDWGMV-UHFFFAOYSA-N 364.224 4.025 0 1 FIAF C[C@@H]1CCc2sc(-c3nc4cc(OCCN(C)C)ccc4[nH]3)cc2C1 587032756 ABXLXUDXQKIDOP-CYBMUJFWSA-N 355.507 4.357 0 1 FIAF O=C(/C=C\c1nc2ccc(Br)cc2[nH]1)Nc1ccc(F)cc1 587167850 YMMGYYWCGCYJAC-FPLPWBNLSA-N 360.186 4.116 0 1 FIAF Nc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc2c1 587252006 QDVAPLXUTTVMCK-UHFFFAOYSA-N 357.186 4.262 0 1 FIAF Oc1nc(O)c2ccc(-c3ccc(Oc4ccc(F)c(F)c4)cc3)nc2n1 587368141 IWJRWLLNVGGFPN-UHFFFAOYSA-N 367.311 4.174 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)C(C)(C)C1)O2 587391822 OULDZROXINMNEE-HSZRJFAPSA-N 364.489 4.356 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)noc1C)[C@@H](C2)C3=O 587428497 NLIBNRMIBOAVGK-BTYIYWSLSA-N 365.360 4.286 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)ccc1OCC1CC1)[C@@H](C2)C3=O 587444182 SBCHSIBIQGZVIC-JTSKRJEESA-N 350.414 4.281 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCOc4ccc(C(C)C)cc41)[C@@H](C2)C3=O 587454415 UEPOBGKNZLNEEP-JTSKRJEESA-N 350.414 4.244 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c1ccc(OC)c3OC)CC2=O 587476179 FCNNVNBWOGFTIT-QFIPXVFZSA-N 368.429 4.169 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)[nH]c3ccc(OC)cc13)CC2=O 587482759 KCWGLBOALPNRQK-GOSISDBHSA-N 367.401 4.247 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCC3(CC1)CC(C(=O)O)C3)CC2=O 587492968 ZSGANPHBURQZEF-UHFFFAOYSA-N 358.434 4.104 0 1 FIAF O=C1C[C@@H]([C@]2(c3cccc(F)c3)CCOC2)Oc2c1ccc1c2CCCC1 587502918 IRFFBCDAVGJFMZ-JTHBVZDNSA-N 366.432 4.397 0 1 FIAF O=C1C[C@@H](c2cccc(N3CCOCC3)c2)Oc2c1ccc1c2CCCC1 587518456 IOTVWDKQAMYCLG-QFIPXVFZSA-N 363.457 4.109 0 1 FIAF C[C@H]1C(C)(C)[C@@H](C(=O)O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529602 QDDMGLZDQRUOMM-OIAISFKWSA-N 356.462 4.426 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccccc1F 587871193 PYQMKMPWNIKMSY-ZDUSSCGKSA-N 372.371 4.335 0 1 FIAF Cc1ncn(-c2ccc3c(c2)CCc2sc(Cc4ccccc4)nc2N3)n1 653708721 BIXGZXGNRYXDIM-UHFFFAOYSA-N 373.485 4.465 0 1 FIAF CC(C)(C)OC(=O)N1CCC12CC1(C2)c2ccc(F)cc2C[C@H]2CCCN21 963106906 OITGLRFAMMAEMI-PPNDLDFTSA-N 372.484 4.215 0 1 FIAF CC(=O)N(C)c1cccc([C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)c1 963114546 VNVBIJHDUUIHSY-KNQAVFIVSA-N 352.453 4.092 0 1 FIAF COc1ccc([C@@H]2NCCc3c(C(=O)O)cccc32)cc1OCCC(C)C 963133714 RZVXRMWENKYLCC-NRFANRHFSA-N 369.461 4.053 0 1 FIAF CN1CCc2c(Br)cccc2[C@H]1c1cnn(C2CCCC2)c1 963281643 UFHXSESDXVJJAR-GOSISDBHSA-N 360.299 4.338 0 1 FIAF Oc1cc(O)c(Cl)c(CCc2nccn2Cc2ccccc2)c1Cl 1772580659 VJODJXMSNZNVSM-UHFFFAOYSA-N 363.244 4.435 0 1 FIAF CC(=O)O[C@H]1CCC(C)(C)[C@H]2CCC3=CC4=C(C)C(=O)O[C@@H]4C[C@H]3[C@]12C 1857613141 FHILJSNLRVFSPJ-DIGZUXTDSA-N 358.478 4.343 0 1 FIAF NCCNc1cc(N2CCCc3ccccc3C2)nc2cc(Cl)ccc12 1857629714 OIFOPNHMEVIIIH-UHFFFAOYSA-N 366.896 4.212 0 1 FIAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CC=CCCCC(=O)OC 2356376481 TWECVLQAVWUYGO-FHWLQOOXSA-N 350.499 4.369 0 1 FIAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCCC[C@]1(C)C[C@H](CO)C(=O)O1 2356824211 GTNWPOFMIVGESM-FQELHTAISA-N 366.498 4.254 0 1 FIAF COC(=O)[C@H]1C[C@@]23C4=C(CC[C@H]41)CC[C@H]1CN4CC(C)=C[C@]42CC[C@@]13C 2356834175 KLTZBLMGSVQGJW-NUGQTKNSSA-N 353.506 4.097 0 1 FIAF CCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 3814252 YSCDXWIZUUJPRB-UHFFFAOYSA-N 350.506 4.451 0 1 FIAF CN1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1cccc(Oc2ccccc2)c1 4563480 HAYXKGQPAYZVIE-SFTDATJTSA-N 373.408 4.474 0 1 FIAF Cc1cc(C(=O)NCc2ccccc2)c2c(C)nn(-c3cccc(F)c3)c2n1 7003476 YIMFWSZNHXJSMN-UHFFFAOYSA-N 374.419 4.106 0 1 FIAF O=C(CCCCCN1CCN(C2CCCCC2)CC1)c1ccccc1O 22928144 KQYLEVUJMZFNTK-UHFFFAOYSA-N 358.526 4.086 0 1 FIAF COc1cc(C(=O)c2sc3cccc(OC)c3c2C)cc(OC)c1OC 53229100 IVNJIVGNBMERKJ-UHFFFAOYSA-N 372.442 4.475 0 1 FIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@@H](C(=O)OC)[C@@]2(C)CCc1ccoc1 85669387 UKLZKUFVLXPLCP-MOXQZVSFSA-N 374.477 4.317 0 1 FIAF biogenic Cc1cc(-c2ccc3nc(Nc4ccc(C#N)cc4)nn3c2)cc(C)c1O 117574111 GKNZERDENXAZPI-UHFFFAOYSA-N 355.401 4.334 0 1 FIAF O=C1N=Nc2nc(CN3CC=C(c4ccc(F)cc4)CC3)nc3cccc1c23 169710135 CUEZMZGANPZLIN-UHFFFAOYSA-N 373.391 4.296 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)cc(F)c2[nH]1 586962696 GRUSJAKCAYTDSX-NSHDSACASA-N 352.822 4.403 0 1 FIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccnc2[nH]1 587035695 YHANJMOCVAACJF-ZDUSSCGKSA-N 350.447 4.444 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2n1 587077209 UMCOOIXCCJPMRX-UHFFFAOYSA-N 364.792 4.127 0 1 FIAF CCOC(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587079413 DOUQSCXHXAYERC-UHFFFAOYSA-N 353.809 4.396 0 1 FIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Cl)cc3[nH]2)C(F)(F)C1 587132536 SBJJQJHPXVLWSW-SNVBAGLBSA-N 357.788 4.186 0 1 FIAF Cc1c(Br)ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c12 587154752 GKVLRDDWJCERAY-GTNSWQLSSA-N 360.230 4.114 0 1 FIAF Fc1ccc(I)cc1-c1nc2cc(Cl)cnc2[nH]1 587182045 CHBRXQBPTFQZOE-UHFFFAOYSA-N 373.556 4.022 0 1 FIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccccc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587240468 UDNKUJOXOGTYPB-FQWGINHLSA-N 371.481 4.118 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587241910 DRJBHIYEAIRPLW-UHFFFAOYSA-N 372.428 4.381 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)c1ccc(C(F)(F)F)cc1)O2 587381477 JOADAHJGWRECND-SFHVURJKSA-N 363.335 4.203 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)c(F)c(F)c(F)c1F)O2 587382313 PRKACIHKXUEHSD-KRWDZBQOSA-N 357.278 4.153 0 1 FIAF CC[C@@H](C)Oc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401466 RGYMLNDAWPTALJ-BFUOFWGJSA-N 355.434 4.470 0 1 FIAF CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC 587440744 IAGISIYDUUQENM-ZHRRBRCNSA-N 368.429 4.371 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCCC3)nc1)CC2=O 587475430 OFHMMGAFAJAZMR-HXUWFJFHSA-N 366.461 4.437 0 1 FIAF O=C1C[C@]2(CCOc3c2ccc(O)c3F)Oc2c1ccc1c2CCCC1 587510037 UIZLXTIJAQTKRD-NRFANRHFSA-N 354.377 4.053 0 1 FIAF COc1cc(OC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587521131 AQLUVWZOVMSZKS-IBGZPJMESA-N 368.429 4.298 0 1 FIAF CC[C@@]1(c2cccc(N)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587747047 OUKYHSMJPABGAA-ZMZPIMSZSA-N 363.274 4.358 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc[nH]c3nccc2-3)N1 587807519 XJIQWDBLZFXFOO-XTZNXHDOSA-N 374.257 4.214 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3scnc32)N1 587859578 XIPKXYHWMOCZEZ-FVMDXXJSSA-N 367.287 4.159 0 1 FIAF [C-]#[N+]c1ccc([C@@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962922327 PYFBXTKYEQTXIS-JTHBVZDNSA-N 372.399 4.267 0 1 FIAF c1cncc(CN2CCc3sccc3[C@@H]2c2ncc(-c3cccnc3)o2)c1 962998656 OGULDGIGQGJKFZ-HXUWFJFHSA-N 374.469 4.341 0 1 FIAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356560678 ARNLHXDQNOMBKB-UMQVHGATSA-N 359.554 4.055 0 1 FIAF COCCCNC(=O)c1c(C(C)(C)C)noc1-c1c(F)cccc1Cl 2485135 IBZXEYNMLGBTJB-UHFFFAOYSA-N 368.836 4.198 0 1 FIAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCCc1ccccc1 13475366 FQHDUEOHSBYAEM-IBGZPJMESA-N 371.521 4.355 0 1 FIAF COc1cc(O)cc2occ(-c3cc(O)c4c(c3)C=CC(C)(C)O4)c(=O)c12 14695523 SLQRKKBBWHNDFD-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF endogenous,in-man CO/C(O)=C1/C(C)=NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F 28404175 YTMCTWONBYRCCU-FRRXJZEGSA-N 356.300 4.188 0 1 FIAF CC(=O)NCn1cc(-c2ccc(-c3cccc4ccccc34)cc2)c(=O)o1 28464761 BAMHGZPZJXFPJI-UHFFFAOYSA-N 358.397 4.022 0 1 FIAF COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(OC(C)=O)c(OC)c2)ccc1O 34045070 MUSIOWIDNIVLST-CABCVRRESA-N 372.461 4.392 0 1 FIAF CC1(C)C(C(=O)c2cn(CCN3CCCC3=O)c3ccccc23)C1(C)C 35876426 LSAOZBCBKOHDGZ-UHFFFAOYSA-N 352.478 4.129 0 1 FIAF C[C@@H](O)CN1CCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 36160978 DGAHSQWDPUWZAR-VFNWGFHPSA-N 365.452 4.401 0 1 FIAF O=C(c1ccco1)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1 40896741 CYRKFMVJGBDJQS-UHFFFAOYSA-N 362.360 4.107 0 1 FIAF C[C@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1-c1ccc(C(=O)O)cc1 72105081 HOSOJXYMCLYNNI-GUYCJALGSA-N 366.413 4.152 0 1 FIAF CNC(=O)Oc1ccc(OCCCOc2ccc(C(F)(F)F)cc2)cc1 103214453 HEMMGWFJLKYKEI-UHFFFAOYSA-N 369.339 4.272 0 1 FIAF CCc1oc2ccccc2c1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586904118 QZVBDNHQNYMNCW-UHFFFAOYSA-N 360.461 4.290 0 1 FIAF CC(C)(SCC(=O)O)c1nc2cc(Cl)cc(Br)c2[nH]1 586957901 AQXCFOYPFPITMQ-UHFFFAOYSA-N 363.664 4.032 0 1 FIAF CCc1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1Br 586977647 NXMVXAFAUPASKR-UHFFFAOYSA-N 357.211 4.137 0 1 FIAF N=c1[nH]c2nc(Cc3ccc(-c4ccccc4Cl)cc3)nc-2c(Cl)[nH]1 587063338 TXDZKWHMFMIWEQ-UHFFFAOYSA-N 370.243 4.282 0 1 FIAF Cc1c(Cl)ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587131739 BUHLEXGXWQEVKB-SNVBAGLBSA-N 371.815 4.494 0 1 FIAF Cc1cc(Br)cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c12 587163614 NBOUYKLNCKEKBU-MRXNPFEDSA-N 362.246 4.424 0 1 FIAF Cc1nccc2[nH]c(/C=C\c3cccc(I)c3)nc12 587183986 MXEZLXQDBSSFMB-WAYWQWQTSA-N 361.186 4.041 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587441424 SXPMUDBNQBFYJB-AOMKIAJQSA-N 360.413 4.191 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccsc4)s1)[C@@H](C2)C3=O 587450658 HFOWEJIIBNAIFN-SJCJKPOMSA-N 355.440 4.369 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)OCc1ccccc1)CC2=O 587478522 JZAGQLDYZUWANL-QFIPXVFZSA-N 368.429 4.202 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc3c1O[C@@H](C)C3)CC2=O 587483353 FHAAKYDQYGLNNG-YUNKPMOVSA-N 368.429 4.383 0 1 FIAF O=C1C[C@](c2ccc(F)cc2)(c2ncccn2)Oc2c1ccc1c2CCCC1 587510899 YVMAFSAHJAXZCQ-QHCPKHFHSA-N 374.415 4.404 0 1 FIAF Cc1ccc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587565714 QYZHLNFNKHDJCD-UHFFFAOYSA-N 353.166 4.491 0 1 FIAF CC(C)(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]n1 587593930 JLCTXWIGBFDNOH-YLJYHZDGSA-N 364.401 4.116 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(Oc1ccccc1)C2 587600721 PLUICPLPOUVBKB-UKAYHFCDSA-N 374.392 4.334 0 1 FIAF CC[C@H](C)c1ccc2[nH]c(-c3ccnn3C)c(C(=O)c3ccnn3C)c2c1 587642278 KZWRPTKUGIAIBY-ZDUSSCGKSA-N 361.449 4.046 0 1 FIAF CCn1ncc(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587699515 SOSCIFAVBOBJGP-CLAHSXSESA-N 372.669 4.082 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2N)N1 587729522 VRWWEZFMIIQUPH-XYZCENFISA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nc[nH]c23)N1 587808508 ZLTPJJMXHQJTBD-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCO3)N1 587831946 AKQNVBLZJHZIEE-XTZNXHDOSA-N 362.242 4.147 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCc1ccccc1 587871812 BZRRPGOCJRKHNV-UHFFFAOYSA-N 355.438 4.011 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]21CCCc2cc(NC(C)=O)ccc21 963260822 ZTTUOFJIAPCNID-NRFANRHFSA-N 370.880 4.033 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1cc2cccc(F)c2o1 963633441 IEJCBDSDMVMUIB-LAJNKCICSA-N 355.409 4.387 0 1 FIAF COc1cccc2cc3c(cc12)C(=O)N(Cc1ccccc1Cl)C3=O 1857590046 ITEJVDRIUMUFEU-UHFFFAOYSA-N 351.789 4.298 0 1 FIAF Fc1ccc(-c2cnc([C@H]3COCCN3Cc3ccccc3F)[nH]2)c(F)c1 2356300055 SONZEYLYYNTAQY-LJQANCHMSA-N 373.378 4.068 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)C(=O)C[C@]12C 2356460196 MGXRFKNRAHZEED-RPUPUWCGSA-N 362.510 4.225 0 1 FIAF COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C 2356639124 FQTXLEJDKGILIT-BSTKLLGTSA-N 372.505 4.454 0 1 FIAF CO[C@@H]1C=C(CC[C@@]2(C)[C@@H]3CCC=C(C)[C@]3(C)CC[C@H]2C(=O)O)C(=O)O1 2356733379 RBOVBGSBFUZCEO-FIZLFTKOSA-N 362.466 4.086 0 1 FIAF O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCCCCC1 11815766 WRWKVVXQJLEEFT-UHFFFAOYSA-N 352.793 4.062 0 3 FIAF Oc1ccc(-c2nc3cc(O)cc(/C=C/Br)c3o2)c(F)c1 13583704 XOEIPMPQNNQRFN-ONEGZZNKSA-N 350.143 4.411 0 1 FIAF O=C(c1ccccc1)N1C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O 13680111 YJTVSGRVBAKCLX-IBGZPJMESA-N 356.381 4.037 0 1 FIAF COc1ccccc1-c1cc(COc2ccc3c(C)cc(=O)oc3c2)on1 29457024 BOBSZUCBTGEMFT-UHFFFAOYSA-N 363.369 4.344 0 1 FIAF O=C(NOCc1ccccc1)Nc1cccc2c(-c3ccncc3)c[nH]c12 36338552 RYTKCPKTCCZSAL-UHFFFAOYSA-N 358.401 4.483 0 1 FIAF Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 49073260 AXNDBMRMCLBYRQ-UHFFFAOYSA-N 371.843 4.141 0 1 FIAF CCCC[C@H](C)OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 59895675 OCRQPJAUVMZLOM-SIHNGCNOSA-N 364.530 4.157 0 1 FIAF COc1cccc(CN(C(=O)Nc2ccc(-c3cn[nH]c3)cc2)C2CC2)c1 95587556 VHFZXRIRWFIOFR-UHFFFAOYSA-N 362.433 4.282 0 1 FIAF c1ccc(-c2cc3nc(NCCCc4ncc[nH]4)c4ccccc4n3n2)cc1 96933158 CXCVESJZUGIRGG-UHFFFAOYSA-N 368.444 4.317 0 1 FIAF CC(=O)C[C@@H]1c2ccccc2N=C(n2cncn2)N1c1ccc(Cl)cc1 103176736 VLWAWFHZQYVYOF-GOSISDBHSA-N 365.824 4.008 0 1 FIAF O=C1[C@H]([C@@H](O)c2ccc(Cl)cc2Cl)CCCN1Cc1ccccc1 103282697 IYPKGDZAEJAWFZ-WMZOPIPTSA-N 364.272 4.466 0 1 FIAF O=C(C1CCC1)N1C[C@H](c2ccsc2)[C@H]2CN(C3CCCC3)CC[C@H]21 105793731 DOQJBJRYOBEKIQ-VAMGGRTRSA-N 358.551 4.107 0 1 FIAF O=C1NC(=O)/C(=C\c2cccc(OCCc3ccccc3)c2Cl)S1 115792213 KLOXXQBDQVGUQG-RVDMUPIBSA-N 359.834 4.285 0 1 FIAF COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@H](C)CN)cc1 150200935 GKJCNYKGKAQOMV-GFCCVEGCSA-N 364.470 4.481 0 1 FIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OC[C@@H]4CCCN4)cc3)cc12 216013584 IOSMIPJEXCSMTR-ZDUSSCGKSA-N 370.836 4.317 0 1 FIAF O=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2ccco2)nc1 261077187 BBICXYFZZZDNIR-UHFFFAOYSA-N 356.378 4.041 0 1 FIAF Fc1cnc(Cl)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 587002438 FKWJAKRQLLDLCZ-UHFFFAOYSA-N 366.581 4.056 0 1 FIAF Cc1ccnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc12 587016363 AHKANSIJDLWBGW-UHFFFAOYSA-N 358.430 4.104 0 1 FIAF Brc1ccnc2[nH]c([C@@H]3SCCc4sccc43)nc12 587036605 HDQPPUNPVWSLFP-LLVKDONJSA-N 352.282 4.161 0 1 FIAF O=S(=O)(c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1)C(F)(F)F 587069987 NUZGXNMGWDFPDI-UHFFFAOYSA-N 360.744 4.177 0 1 FIAF C[C@@H]1CC2=C(CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)NC1=O 587105595 AKPRBMKUAYRODD-GFCCVEGCSA-N 366.420 4.260 0 1 FIAF Cc1cnc(Cl)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 587119993 MTWGGQFMRXWAON-UHFFFAOYSA-N 369.778 4.062 0 1 FIAF COc1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2n1 587151548 RIRPRKNSCVQGNK-GOSISDBHSA-N 367.355 4.413 0 1 FIAF Fc1cccc2c(-c3nc4c(Cl)ncc(Br)c4[nH]3)n[nH]c12 587176164 GBOKNUUSPLTQFI-UHFFFAOYSA-N 366.581 4.056 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)c3ccc(N(C)C)cc3)nc2c1 587196759 YPFIQFCCJWLJSM-LLVKDONJSA-N 357.841 4.221 0 1 FIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(C)(C)C 587205275 OUVZEROCMWBXBI-LLVKDONJSA-N 371.403 4.462 0 1 FIAF C[C@@]1(c2cscn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375861 VOJNKGRXIYKSSL-MJGOQNOKSA-N 355.390 4.262 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(F)(F)F)c(F)c1)O2 587381185 HGLOTUXRZYNUBJ-INIZCTEOSA-N 369.314 4.364 0 1 FIAF Cc1ccncc1CC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585733 HGVKXOFYIUOGHW-QUCCMNQESA-N 361.397 4.059 0 1 FIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587600726 PNVHFALRLXSJBW-DENIHFKCSA-N 362.381 4.412 0 1 FIAF C[C@]1(C[C@@H]2CCCCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604680 VGMJMGYRPXUXNX-OSGPJOMKSA-N 366.413 4.262 0 1 FIAF CCOc1ncccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587771456 LUHTVNCIGOFQCT-HWPZZCPQSA-N 365.246 4.006 0 1 FIAF CCOCCOCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587777892 FNFDPSZPYGJQGB-UHFFFAOYSA-N 353.447 4.393 0 1 FIAF COCC[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790302 FSKBBAHMAFBVOG-PIGZYNQJSA-N 358.295 4.400 0 1 FIAF CCC[C@H](O)[C@@]1(CCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587828775 VGFNDIFHKWCQQG-NVGVWMPQSA-N 358.295 4.279 0 1 FIAF CC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587846461 HOCHPJBHLUCJEK-BCTVWOGZSA-N 368.271 4.476 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cscn1 587860968 HKNYMINBJDTGQF-UHFFFAOYSA-N 368.245 4.401 0 1 FIAF COc1cccc(-c2cccc(-n3c(O)cc(CSC(C)=O)c3O)c2)c1 587937274 JNUYKFOEFNFOGF-UHFFFAOYSA-N 369.442 4.344 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(C1CCC(C(F)(F)F)CC1)NCC2 962924561 KTCSNPWBZLHQLF-LADRWXRNSA-N 368.443 4.118 0 1 FIAF Cc1ccc(SC[C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963018875 FHSWBKQWRVQMBD-QVKFZJNVSA-N 352.503 4.056 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]2(Cc1ccncc1)c1cccs1 963257375 JBINQDAYJGMHCA-HXUWFJFHSA-N 370.905 4.437 0 1 FIAF COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C(C)C)C2)cc1 1772574943 GBLMQABUUUUQCA-HSZRJFAPSA-N 352.522 4.428 0 1 FIAF COc1ccc([C@@H]2C[C@@](C)(OC)Oc3c2c(=O)oc2ccccc32)cc1 1857746917 UHDUKYUECUHRSM-KKSFZXQISA-N 352.386 4.079 0 1 FIAF CC=C(C)C(=O)OCC=Cc1cc(OC)c(OC(=O)C(C)=CC)cc1OC 2356498019 GRVXDVYRXHDMFS-UHFFFAOYSA-N 374.433 4.098 0 1 FIAF COc1cc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)ccc1C 2382221735 OSWAXYUMBVCDJP-UHFFFAOYSA-N 353.418 4.487 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1c(Cl)cccc1Cl 1190422 CLSOASHIJIDNLA-WMJYUBJYSA-N 370.232 4.415 0 1 FIAF Cn1nc(-c2ccc(C(=O)Nc3ccccc3)s2)cc1C(F)(F)F 1323946 UBTVXOVHICTBCN-UHFFFAOYSA-N 351.353 4.420 0 1 FIAF Cc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)NC2CCCCCCC2)cc1 2933199 WYFOGTKLIHJOCI-QFIPXVFZSA-N 356.510 4.105 0 1 FIAF COc1cc2ccnc(C(=O)c3ccccc3Br)c2cc1OC 26663611 CKNXWAPLNHIDON-UHFFFAOYSA-N 372.218 4.246 0 1 FIAF CCOC(=O)c1ccc(OCCCCC(=O)c2cc(C)n(C)c2C)cc1 27883087 GEZNKEWZSPTFAE-UHFFFAOYSA-N 357.450 4.251 0 1 FIAF CCNC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 36221680 RVWFZRGYOXCUSN-XKCSPQBFSA-N 368.521 4.263 0 1 FIAF in-vivo COc1ccc2sc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)c2c1 53229484 XLVVOBGEZSFNOL-UHFFFAOYSA-N 372.442 4.475 0 1 FIAF Brc1cccc(CSc2nnc(-c3cnccn3)s2)c1 95574878 RATSSJNNAPAOAY-UHFFFAOYSA-N 365.281 4.050 0 1 FIAF COc1c(O)cc([C@@H]2CC(=O)c3c(O)cc(O)cc3C2)cc1CC=C(C)C 95918663 TXFYGVSFMUHNGL-HNNXBMFYSA-N 368.429 4.233 0 1 FIAF biogenic,in-vitro N=C(NCCCc1ccc(Cl)cc1)SCCCN1CCCCC1 96939834 ONAOGLPJBGHKED-UHFFFAOYSA-N 353.963 4.406 0 1 FIAF COc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NC[C@@H]3C)c1 116991411 IXEZIIQLWDZTPK-AWEZNQCLSA-N 359.429 4.348 0 1 FIAF Clc1ccc(-c2cnc3sc(NCCc4ccncc4)nn23)cc1 117612563 GZYUAVVUZXATDC-UHFFFAOYSA-N 355.854 4.161 0 1 FIAF O=Cc1ccc(OCc2occc2-c2nc3c(F)cnc(Cl)c3[nH]2)cc1 586900934 OLIRBWSGAAOGMV-UHFFFAOYSA-N 371.755 4.402 0 1 FIAF COc1cc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2cc1C 586969898 BALIRIKHYAJTPU-UHFFFAOYSA-N 369.490 4.103 0 1 FIAF Cc1ccc(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F 587146370 JUXJXPFEOXOSDV-ALCCZGGFSA-N 351.425 4.013 0 1 FIAF COC(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587163244 MVUYYTNKELQISI-UHFFFAOYSA-N 374.371 4.387 0 1 FIAF COC[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349329 PMMFENMVFBFMSF-CTNGQTDRSA-N 358.409 4.322 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3oc(C(=O)O)c(C)c31)O2 587407076 AAJDGRZAGDPLTA-NRFANRHFSA-N 369.417 4.010 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc3nc(C)cc(C)c3c1N)O2 587415442 SFWNVBWDODUCKF-FQEVSTJZSA-N 367.474 4.267 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3[nH]cnc(Cl)c1-3)CC2=O 587460929 LDGGLNVSTVZCAT-LJQANCHMSA-N 371.824 4.102 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)cc(Cl)cc21 587462989 SIRKWENVTHLBSZ-HXUWFJFHSA-N 371.820 4.119 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(C)C)c(CO)c1)CC2=O 587480640 FIDDXMFMMQVXBO-OAQYLSRUSA-N 370.445 4.331 0 1 FIAF O=C(O)CCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529099 JCAYZMFYWSASJN-HXUWFJFHSA-N 350.414 4.289 0 1 FIAF CCOC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598463 AZQFEZJJJNIZQA-UARVQCNDSA-N 354.402 4.072 0 1 FIAF Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587629903 NCFJZFLMCMBFND-UHFFFAOYSA-N 359.710 4.252 0 1 FIAF O=C(c1cccc(F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657960 FDFACIVWADUZAD-UHFFFAOYSA-N 362.335 4.030 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccccn23)N1 587771135 BOQXUCIAPFFNIU-BBATYDOGSA-N 374.257 4.034 0 1 FIAF CC(C)c1nc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 587774350 MRRFTUHGEUSEJK-DYZYQPBXSA-N 367.262 4.497 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3cccnc3c2)N1 587779519 SYZYRTXVTYZBRL-XTZNXHDOSA-N 372.241 4.155 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3[nH]ncc3c2)N1 587794338 MKUQDIXVONGOKL-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF Cc1nccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587804618 RUEFTEOIQTYQQK-NIVTXAMTSA-N 374.257 4.397 0 1 FIAF CC(C)C(=O)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810245 CFHNDIGHXRNPAT-PIGZYNQJSA-N 356.279 4.343 0 1 FIAF CC[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587817044 HMTLGGNXIJJHPM-CZIZLABSSA-N 354.263 4.097 0 1 FIAF CCOCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587826981 HPSNQVNRVQBXRC-QGHHPUGFSA-N 368.246 4.341 0 1 FIAF OCCC[C@H]1CCCC[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961613784 HUBJPVYTSCVHDV-DNVCBOLYSA-N 364.327 4.285 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]21CCCC[C@@H]1N1CCSCC1 963094727 CXLNROQAUPMSAZ-SESVDKBCSA-N 360.542 4.033 0 1 FIAF C[C@]1(c2ccc(Br)c(Cl)c2)NCCc2ccc(O)cc21 963341605 NBTUXXUISKLGQN-MRXNPFEDSA-N 352.659 4.217 0 1 FIAF COc1ccc(C(=O)n2c(-c3ccc(OC)cc3)nc3ccccc32)cc1 1772584126 PXJXUUDEYSHZAX-UHFFFAOYSA-N 358.397 4.409 0 1 FIAF c1ccc2c(c1)CC[C@H](n1nc(-c3c[nH]c4nccc-4c3)c3cncnc31)C2 1857763797 LULOUUUSWPJLJT-SFHVURJKSA-N 366.428 4.051 0 1 FIAF CC(=O)O[C@@H]1O[C@H]2OC(=O)[C@H](C)[C@@H]3C([C@@]4(C)CCCC(C)(C)C4)=CC=C1[C@@H]23 1911583957 OSZJDRRCNZELDT-RJSDGMHNSA-N 374.477 4.130 0 1 FIAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@](C)(O)[C@H]2CCC(C)=CCO)C1(C)C 2356438370 CLXJESZSIVHFGY-BZEYQNPTSA-N 366.542 4.240 0 1 FIAF COC(=O)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 2356733307 OJSJNWQDEOTLSR-NYSHIPPFSA-N 360.494 4.282 0 1 FIAF C[C@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccc(Cl)cc2)=NO1 12726724 KGOAJPFGKJLNIR-LJQANCHMSA-N 353.809 4.354 0 3 FIAF C[C@]1(c2nnc(Cc3ccccc3)o2)CC(c2cccc(Cl)c2)=NO1 13682732 VAZOYAQVXKACMT-LJQANCHMSA-N 353.809 4.354 0 3 FIAF CCOc1ccc2c(c1)OC[C@@H](c1ccc(OC)c(OCC)c1OC)C2 3203051 REPYCQHEIUYLQU-HNNXBMFYSA-N 358.434 4.220 0 1 FIAF biogenic CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C=C(CCCCC(=O)O)C[C@@H]21 14952846 JANVYOZZTKSZGN-DCAJPRJESA-N 350.499 4.072 0 1 FIAF CCC[C@H](Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 27525191 LPGHAOYTYMGNPQ-IBGZPJMESA-N 355.434 4.117 0 1 FIAF c1ccc(-c2cc(-c3cccc(-n4nnc(-c5ccccn5)n4)c3)on2)cc1 28386518 ZTOMDUONHPIBET-UHFFFAOYSA-N 366.384 4.046 0 1 FIAF O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)[C@H]1CCOC1 28966672 XDCZGBKFCLBOAX-ZDUSSCGKSA-N 363.442 4.420 0 1 FIAF CCc1c(F)c(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)CC3=O 29133196 DEZJJEIHHMAHCJ-SECBINFHSA-N 358.365 4.032 0 1 FIAF COCCNC(=N)CCCCCCCCCCCCC(=N)NCCOC 45261524 PQFLRTONXNDLOW-UHFFFAOYSA-N 370.582 4.094 0 1 FIAF O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2)C1CC1 84672255 VTNMCGVZASATCS-UHFFFAOYSA-N 355.488 4.019 0 1 FIAF CSc1nc(Cl)cc(Nc2cn[nH]c2-c2nc3ccc(C)cc3[nH]2)n1 96271629 MFHCYEYXDLMXRP-UHFFFAOYSA-N 371.857 4.170 0 1 FIAF CCCC[C@@](C)(O)C1=CC[C@@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@H]3C1 100957100 LJTJQLDGHOLLEZ-MOUTVQLLSA-N 369.549 4.471 0 1 FIAF COc1cc([C@@H](Nc2ccccc2)P(=O)(OC)OC)cc(OC)c1O 103299965 IBZFLOPKTUJJID-KRWDZBQOSA-N 367.338 4.006 0 1 FIAF CC1=Nc2[nH]ncc2[C@H](c2ccco2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 169724273 VFYQKLRNEALTCH-HZPDHXFCSA-N 372.787 4.288 0 1 FIAF Cc1cnc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)s1 206687979 GJKSYGTYEWQMJR-UHFFFAOYSA-N 371.506 4.178 0 1 FIAF C/C=C(\C)C(=O)O[C@H]1C[C@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@@H]1OC(C)=O 238745348 QGJOZBRXAVBQQO-MJHJEBCESA-N 374.477 4.159 0 1 FIAF COc1nccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c12 586882461 UJCXMBUZDKVIME-UHFFFAOYSA-N 357.413 4.481 0 1 FIAF CS(=O)(=O)c1cccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 586926327 OBEZNPURLOQHBO-UHFFFAOYSA-N 372.393 4.245 0 1 FIAF Cc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2cc1Cl 586949044 YAMGSCOKEGSPGU-UHFFFAOYSA-N 363.870 4.342 0 1 FIAF COc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1C 587043560 RWQCMUBAEQJNKW-INIZCTEOSA-N 373.865 4.189 0 1 FIAF FC(F)(F)CCc1ocnc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587091192 CAHPAZVHLAQBBT-UHFFFAOYSA-N 351.115 4.415 0 1 FIAF Cc1cc(Br)cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c12 587118188 OUZKUENDWQGCQX-UHFFFAOYSA-N 359.149 4.053 0 1 FIAF Fc1ccc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 587168368 HBQIPNACSLKWNX-UHFFFAOYSA-N 356.582 4.092 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3ccc(F)c(Br)c3[nH]2)c1 587242061 GNAHLGGZBGGGIS-UHFFFAOYSA-N 362.202 4.014 0 1 FIAF O=C(c1cc2n(n1)C(C(F)F)=CC(=C1CC1)N2)c1coc2ccccc12 587281075 SXAFIAMUNQDZNN-UHFFFAOYSA-N 353.328 4.440 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Cl)cc1Br)O2 587377600 NSLNKBRMJGSSAW-CYBMUJFWSA-N 367.630 4.095 0 1 FIAF Cc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1 587392172 XQZGCVIKAXMDQP-HSZRJFAPSA-N 358.441 4.377 0 1 FIAF CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587409520 WIMXGYLEEHWXFL-CFMIOFKISA-N 357.450 4.138 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c1ccc(Cl)c2C 587462218 NSKWGBXINYTAED-HXUWFJFHSA-N 371.820 4.119 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCN(Cc3ccccc3)C1)CC2=O 587481873 YAKLMDSMBYDNSD-JTSKRJEESA-N 365.473 4.201 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc3sccn13)CC2=O 587500730 VDKXMFMGOWOTTR-ZDUSSCGKSA-N 362.838 4.414 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(F)c1O 587557857 PHOSFWDBQPQUSD-QRWLVFNGSA-N 370.307 4.079 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1NCC2 587597904 WSLDQDJYPZRJNR-AVRDEDQJSA-N 359.381 4.063 0 1 FIAF CC(C)(C)CC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604131 RHRXVMOGHXFHRM-IERDGZPVSA-N 370.401 4.004 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2Cl)N1 587693101 CQRZGZAXYMUWJY-JDNHERCYSA-N 369.665 4.434 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cncc(F)c2)N1 587737094 YEBYEBZDAVIGLJ-BONVTDFDSA-N 367.237 4.330 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cn(C)nc23)N1 587757211 GGZXYVDEABPBBK-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 587785940 PVFXGNUDADEKLJ-MNOVXSKESA-N 362.216 4.208 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3sccc32)N1 587859870 YNVGUIMIINOOHI-XXFAHNHDSA-N 352.272 4.374 0 1 FIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccnc(Br)c2[nH]1 587931754 SRVTXMPHVDQNIT-GTNSWQLSSA-N 358.239 4.174 0 1 FIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587934763 FZSYEGYRQRMAGB-RTHLEPHNSA-N 352.221 4.110 0 1 FIAF CC[C@]1(Cc2nc3cc(OC)c(F)cc3[nH]2)CC(=O)c2ccccc2C1 587961782 UIFFMMYLMZGKKQ-OAQYLSRUSA-N 352.409 4.479 0 1 FIAF CC(C)(C)OC(=O)NCCOc1cccc2c1cnn2-c1ccccc1F 653848611 AANHZDIBAXQTLM-UHFFFAOYSA-N 371.412 4.068 0 1 FIAF Cn1nc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c2ccccc21 1772592338 MGRQSEWUUXEVCO-MRXNPFEDSA-N 363.442 4.303 0 1 FIAF NC(=S)c1cccc(-c2cn(CC(CF)CF)c3cc(O)ccc23)c1 1857593154 ZZECWQUVUQABMC-UHFFFAOYSA-N 360.429 4.203 0 1 FIAF Cc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1F 588567 SJJVIJKGAXQXSH-UHFFFAOYSA-N 364.829 4.044 0 1 FIAF COc1ccc(C(=O)Nc2ccc(CCN3CCCC[C@H]3C)cc2)cc1 3830751 IWNLDPWBUAIFGZ-QGZVFWFLSA-N 352.478 4.364 0 1 FIAF COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2Cl)NC3=O)cc1 4929104 PJKMKGFTLZNIFI-INIZCTEOSA-N 374.227 4.225 0 1 FIAF O=c1c(Nc2ccccc2)cccn1[C@H](CN1CCCC1)c1ccccc1 13488452 JCLIAVBGZKSIAH-JOCHJYFZSA-N 359.473 4.277 0 1 FIAF CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccccc3)ccc2O1 13795365 XTHJDCHCHMQPBA-UHFFFAOYSA-N 357.409 4.140 0 1 FIAF COc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 13814450 JYIJOCUVGMIDDY-IEBWSBKVSA-N 356.897 4.274 0 1 FIAF COc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(CC=C(C)C)c1O 14762995 SWPGCQOSUJNESS-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF biogenic CCCCC[C@@H](O)c1cccc(OCc2ccc(OCC(=O)OC)cc2)c1 25984815 IBTLDTAFPMIQFF-OAQYLSRUSA-N 372.461 4.431 0 1 FIAF C[C@H]1CC2=C(C(=O)O1)[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 40424078 XLYBTASYNKDQQN-XTZNXHDOSA-N 369.804 4.216 0 1 FIAF O=C1C[C@H](c2nc(-c3cccc(Cl)c3)no2)CN1Cc1ccc(F)cc1 44440679 ZWBNOSOSWCVZAA-AWEZNQCLSA-N 371.799 4.045 0 1 FIAF O=C(NCCSCc1ccc(O)cc1)c1c(Cl)cccc1Cl 49803734 NYZQTDZVJFACCK-UHFFFAOYSA-N 356.274 4.362 0 1 FIAF COc1ccccc1NC(=O)[C@@H]1Cc2ccccc2N1C(=O)OC(C)(C)C 64637947 DYEQCXMWRLAYDY-KRWDZBQOSA-N 368.433 4.000 0 1 FIAF Brc1cccc(-c2nnc3ccc(-c4ccccc4)nn23)c1 82060447 WAENIKMAORJNEV-UHFFFAOYSA-N 351.207 4.221 0 1 FIAF CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCNCC1)N2 95590489 JNVFCSOHOCKUSZ-BWAGFHJFSA-N 358.526 4.373 0 1 FIAF O=C(Nc1ccnc(Nc2ccncn2)c1)c1c(Cl)cccc1Cl 96282837 OEJGMGIHVHSGAE-UHFFFAOYSA-N 360.204 4.174 0 1 FIAF O=C(OC[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccs1)c1ccccc1 100909275 SPPHJQRBMCMDGZ-ZGSOFYHKSA-N 365.498 4.471 0 1 FIAF COC(=O)[C@@H](OC)c1cccc(COc2ccc(Cl)cc2Cl)c1 103181587 FPEMBXBUFQZMPH-INIZCTEOSA-N 355.217 4.433 0 1 FIAF Cc1cc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2cc1Br 586906318 LALDEHIIOKRQRN-OVCLIPMQSA-N 355.191 4.302 0 1 FIAF Fc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1F 586994896 DVDDXJBKTCFYTB-UHFFFAOYSA-N 352.182 4.258 0 1 FIAF CC(C)Oc1cc2nc(C(F)(F)C(F)F)[nH]c2cc1Br 587089659 XHGNGTUERDXTQB-UHFFFAOYSA-N 355.129 4.470 0 1 FIAF O=C(O)Cc1c(-c2ccc[nH]2)nc2cccc3c2c1-c1ccccc1C3=O 587106915 OUMDGVVPRSOPRU-UHFFFAOYSA-N 354.365 4.068 0 1 FIAF CCOC1=C[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353500 QWLLAYSBCGSXEQ-CTNGQTDRSA-N 354.377 4.343 0 1 FIAF CC[C@]1([C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357373 NIWREGZVTXXKKB-ONTRVFCTSA-N 356.393 4.076 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1cccc(Cl)c1)O2 587377802 KBABBECIOVTRSZ-QGZVFWFLSA-N 353.809 4.327 0 1 FIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OC 587377818 ZMAWYIIOSZYVRB-MRXNPFEDSA-N 361.825 4.344 0 1 FIAF CCCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439761 CVDMBTHMKXULLL-DRSNIGMVSA-N 374.477 4.351 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CSCCc3ccccc31)CC2=O 587494464 KCNZFOGJTSQNPQ-NRFANRHFSA-N 354.471 4.495 0 1 FIAF Cc1cccc(OC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587590998 FEYHSHLPWXDICC-WOJBJXKFSA-N 362.381 4.110 0 1 FIAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 587781682 BQXKXTRUZQMISG-UHFFFAOYSA-N 374.396 4.286 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC23CCOCC3)N1 587834597 LLEOQQGBLROMHL-XIKOKIGWSA-N 368.290 4.298 0 1 FIAF COc1cc(OC)cc(-c2cnc3cnc(-c4ccccc4N(C)C)cn23)c1 653758367 HAMWGDITBPMNDP-UHFFFAOYSA-N 374.444 4.147 0 1 FIAF O=C([C@@H]1Cc2ccccc2[C@@](CC2CC2)(c2ccccc2)N1)C(F)(F)F 962732089 WPFPSMXLSJLYII-AZUAARDMSA-N 359.391 4.376 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2OCCC(=O)O)N1 962940929 BANJVFWVJFCOIT-SZNDQCEHSA-N 364.445 4.035 0 1 FIAF CCOC(=O)C1([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)CCCC1 963103910 GZVHIAKRNZYHLE-KRWDZBQOSA-N 356.293 4.478 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C(=O)OCC)c1cc(F)ccc1F 963233486 UMSLGBPQHNKEIN-NYHFZMIOSA-N 373.443 4.428 0 1 FIAF O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cc3nc(Cl)ccc3[nH]2)C1 1857575570 ZXIFSIFTYUWNHM-CYBMUJFWSA-N 357.816 4.375 0 1 FIAF NC(=S)c1cccc(-c2cn(C[C@H]3CC3(F)F)c3cc(N)ccc23)c1 1857606060 UDJOJYPNQMDKPM-CYBMUJFWSA-N 357.429 4.180 0 1 FIAF O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 1857637300 WBVWFZSLXCNIPF-UHFFFAOYSA-N 364.823 4.013 0 1 FIAF CCOc1cc(-c2nc3cc(C)ccn3c2NC[C@@H]2CCCO2)ccc1O 883872 QGNJLXUVJSXHCE-INIZCTEOSA-N 367.449 4.005 0 3 FIAF Cc1ccc2cc3cc(C(=O)NCCN(C)Cc4ccccc4)oc3nc2c1 6730585 CCYVTXCHBUTZLS-UHFFFAOYSA-N 373.456 4.151 0 1 FIAF C[C@H](Oc1nn2c(-c3ccccc3)nnc2c2ccccc12)c1ccccn1 13560000 IUQSZUWRMNDZII-HNNXBMFYSA-N 367.412 4.480 0 1 FIAF FC(F)(F)c1ccc2c(N3CCCNCC3)ncc(-c3ccccc3)c2n1 24905223 YSEUQRJIYFJWPL-UHFFFAOYSA-N 372.394 4.115 0 1 FIAF O[C@@](Cn1ccnc1)(c1ccc(F)cc1)c1ccccc1-c1ccncc1 26841725 GZAPVKSQRTZSJU-QFIPXVFZSA-N 359.404 4.020 0 1 FIAF O=C1C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1ccccc1n2O 27089233 ZTNKEICYCHPDEW-LLVKDONJSA-N 374.223 4.458 0 1 FIAF COCOc1ccc2c(c1)[C@@H]1OC(=O)O[C@]13CCC(C)=C(CC2=O)C3(C)C 28520542 OMTPGSMKPIDTAU-GHTZIAJQSA-N 372.417 4.339 0 1 FIAF CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(F)cc1N 28870435 HFHWEFNEZUUCLY-UHFFFAOYSA-N 352.450 4.359 0 1 FIAF CC(C)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@H](C)CNC4=O)cc1 28902115 HMEVETSOKVZITQ-CYBMUJFWSA-N 361.445 4.391 0 1 FIAF CCCCCC(=O)Nc1ccc2cn(Cc3ccccc3C(=O)O)nc2c1 29472170 JQWULOVUOHPUBK-UHFFFAOYSA-N 365.433 4.302 0 1 FIAF Cc1ncccc1Oc1ccc(N(C)C(=O)c2cn(C)c3ccccc23)cn1 40936267 JMWLXQZFTDZDLO-UHFFFAOYSA-N 372.428 4.346 0 1 FIAF Cc1cccc(C)c1CNc1cc(-n2ccc(=O)cc2)cn2c(C)c(C)nc12 40955005 SUVHLBHXIPQGAC-UHFFFAOYSA-N 372.472 4.331 0 1 FIAF O=C(NCC1CCCCC1)c1cnc(N2CCCC2)nc1-c1ccccc1 82132610 ZVULWBMTWLMXHH-UHFFFAOYSA-N 364.493 4.054 0 1 FIAF Cc1ccccc1N(C)C(=O)c1ccc(N2CCc3ccccc3C2)nc1 95586888 XRKCZCBCRGKNGN-UHFFFAOYSA-N 357.457 4.229 0 1 FIAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(-c4ccccc4)s1)CN32 100969791 KMHHAGQMYNMKGL-CWCOHLLZSA-N 365.498 4.454 0 1 FIAF O=C([C@@H]1CC12CCC(C1CCCCC1)CC2)N1CCN(C2CCC2)CC1 103243027 BGVWWNSHROUKKN-SWCONJRYSA-N 358.570 4.460 0 1 FIAF CC(=O)N1CCC(c2cc(-c3cnc4[nH]cc(C)c4c3)nn2C(C)C)CC1 146480570 RVHTWBKIKVJXHV-UHFFFAOYSA-N 365.481 4.042 0 1 FIAF Cc1[nH]n(-c2nc3cc(C(C)(C)C)ccc3[nH]2)c(=O)c1Cc1ccccc1 169330067 OMTJOKFMSSRTDW-UHFFFAOYSA-N 360.461 4.239 0 1 FIAF CC(C)CCOc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1 238767423 IWXFMWSIXZJANN-UHFFFAOYSA-N 356.374 4.002 0 1 FIAF NCCOc1ccc(/C(=C(/CCN)c2ccccc2)c2ccccc2)cc1 299823201 DVKILHFNNHFIFO-VHXPQNKSSA-N 358.485 4.332 0 1 FIAF CCC(C)(C)c1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1 586882004 QCXNCWYVZARMRG-UHFFFAOYSA-N 371.506 4.168 0 1 FIAF CCS(=O)(=O)c1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2c1 586961129 FWNIOQZHAFHRTC-CYBMUJFWSA-N 360.504 4.351 0 1 FIAF c1cc2c(cc1-c1nc(-c3nc4cc5c(cc4[nH]3)OCO5)cs1)CCO2 587018243 ZEGXLYFGIWIVDV-UHFFFAOYSA-N 363.398 4.017 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccccc1N)O2 587389503 KXHMKLXJXIXCSY-HSZRJFAPSA-N 358.441 4.263 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1OC(F)F)[C@@H](C2)C3=O 587422586 PALAIJRIZIQOFQ-DYZYQPBXSA-N 366.747 4.439 0 1 FIAF C[C@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587525974 XCAJBTAOQYQDKV-RBZFPXEDSA-N 366.413 4.124 0 1 FIAF Cc1ncsc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616766 GREOTWPYJPLXKN-DNVCBOLYSA-N 353.399 4.034 0 1 FIAF CCCN1C(=O)[C@](O)(c2c(C)[nH]c3ccc(F)c(Cl)c23)c2ccccc21 587632512 XTKKIYZLBCHBMA-HXUWFJFHSA-N 372.827 4.261 0 1 FIAF O=C(O)c1cccc2c(CC3OCCCO3)c(-c3ccccc3Cl)[nH]c12 587638504 MNQDELIADZYMEJ-UHFFFAOYSA-N 371.820 4.492 0 1 FIAF O=C(Oc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661376 YGIHEMAYSMXNRP-UHFFFAOYSA-N 360.344 4.250 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CCC2(C)C)N1 587818693 FGOVANVJIOAGSF-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2scnc2Cl)N1 587854641 RLIGVUOXJODOFT-KGFZYKRKSA-N 361.667 4.322 0 1 FIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(OC(F)(F)F)cc4[nH]1)(C3)C2 587968802 FVFKSVIMDBFJCA-FYBJUZMNSA-N 350.340 4.108 0 1 FIAF Cc1ccc([C@@]2(CCc3ccccc3)c3nn(C)cc3CCN2C)cc1C 963953977 FAJFSBJRBFMLKM-DEOSSOPVSA-N 359.517 4.401 0 1 FIAF CN(C/C=C/c1ccc(Br)cc1)Cc1ccc2c(c1)OCCO2 1857538540 QJKMMVWOLZBOQJ-NSCUHMNNSA-N 374.278 4.366 0 1 FIAF COc1ccc2c(c1)cc(S(=O)(=O)c1ccc(C(F)(F)F)cc1)n2C 1857566833 ZDAGLIBZCOIXLW-UHFFFAOYSA-N 369.364 4.039 0 1 FIAF Cc1ccc(NCc2cc([C@]3(C)CCSC(=N)N3)c(F)cc2F)nc1 1857744162 ZZYSRRFOAYTMKM-SFHVURJKSA-N 362.449 4.157 0 1 FIAF Cc1ccc(OC[C@@H]2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)cc1 1911572769 OOQXYVIIFBQRFZ-RVSNTGDXSA-N 365.517 4.136 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CC=C[C@](C)(O)C[C@H](O)[C@H]12 2356520616 SVFYCYBARKSVJH-DAPCWBFXSA-N 364.526 4.015 0 1 FIAF CC=C1[C@@H](O)C[C@]2(C)[C@@H]3CC=C4C[C@@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356693217 BZACCZGEYNSNNQ-RWQFOSOUSA-N 373.581 4.157 0 1 FIAF COc1ccc(-c2nnc3ccc(-c4ccc5c(c4)CCO5)cn23)cc1OC 2382223865 MNRMXGKDMWLNTH-UHFFFAOYSA-N 373.412 4.015 0 1 FIAF N=c1[nH]cc(-c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)[nH]1 2382243276 AEFLEFDLFMRVME-UHFFFAOYSA-N 362.220 4.440 0 1 FIAF CCN(CC)CCOc1ccccc1O/C(=C/c1ccccc1)[C@H](C)O 1846832 YBMSPXHTBCHFJU-VJWQYWRGSA-N 355.478 4.208 0 1 FIAF CCCCCCC1=NOC[C@@]1(C)C(=O)NCCc1ccc(OCC)cc1 4274688 JIUWGBLMPVXBDK-OAQYLSRUSA-N 360.498 4.107 0 1 FIAF COc1ccc([C@H]2CC(=O)c3c(O)cc4c(c3O2)C=CC(C)(C)O4)cc1 13397621 DYYGGFDQLZIZEE-QGZVFWFLSA-N 352.386 4.292 0 1 FIAF biogenic CCCCN(CC)c1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C 13794974 GEROMDBSAVDGON-UHFFFAOYSA-N 352.486 4.071 0 1 FIAF CSc1cc2n(c1C(=O)c1ccc(C(F)(F)F)cc1)CC[C@@H]2C(=O)O 28225957 GKDHKWUKNZQSRT-NSHDSACASA-N 369.364 4.032 0 1 FIAF O=S(=O)(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1 28353372 ROBPAHYOHGTRBT-UHFFFAOYSA-N 370.474 4.313 0 1 FIAF Clc1cccc(Cc2nc3c(NCC[C@@H]4CCCCN4)nccc3o2)c1 28526270 KBJGRHGRZYRRHG-INIZCTEOSA-N 370.884 4.411 0 1 FIAF COP(=O)(OC)O[C@H](c1cccc(Cl)c1)P(=O)(OC)OC 29226702 SJRJRAFJFPRZFW-NSHDSACASA-N 358.651 4.242 0 1 FIAF Cc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n2ncnc2n1 40423427 YKLOXZMEVISSJN-UHFFFAOYSA-N 361.249 4.214 0 1 FIAF CCOC(=O)/C(=C/Nc1cc(OC)cc(OC)c1)c1ccc(Cl)cc1 40812732 UPNYZWYTINOGGE-LDADJPATSA-N 361.825 4.373 0 1 FIAF COc1ccc(COc2ccn(Cc3ccccc3Cl)c(=O)c2)cc1 64564845 SYOUKVOBIPOTJI-UHFFFAOYSA-N 355.821 4.138 0 1 FIAF Clc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1 71333540 USECREWYEYRWLA-UHFFFAOYSA-N 354.628 4.235 0 1 FIAF C[C@]1(c2cc(N[C@H]3CCc4cc(Cl)ccc43)ccc2F)COCC(N)=N1 142922784 IVCFPJIINVIDFL-AZUAARDMSA-N 373.859 4.181 0 1 FIAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1ccc[nH]1 169369988 XGBWNEKVHQUBJF-HQIRFVMOSA-N 368.521 4.335 0 1 FIAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@H]1C/C(C)=C/CC[C@](C)(OC[C@@H]2C)[C@@H]3O1 238735328 MDSDQZGJBVBIFN-RMPFWJBWSA-N 362.510 4.129 0 1 FIAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2[C@](C)(CO)C[C@H](O)C[C@]12C 263638771 WZZRZMFFZNXNGP-GIICDAHMSA-N 364.526 4.018 0 1 FIAF c1ccc(CNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 473165430 CCDMUPGGWYVSBZ-HSZRJFAPSA-N 359.469 4.135 0 1 FIAF CC(C)(C)OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989506 LTMGBVOOUCQMFL-UHFFFAOYSA-N 361.397 4.036 0 1 FIAF Brc1nccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587022095 NONJOIZXLCUTEJ-UHFFFAOYSA-N 371.263 4.435 0 1 FIAF Clc1ccc(CN2CCC[C@@H]2c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587075363 HTUADIORIINQNV-QGZVFWFLSA-N 369.852 4.325 0 1 FIAF Cc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1C 587132559 SKYSGERADSRLKO-GFCCVEGCSA-N 351.397 4.149 0 1 FIAF COc1cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1F 587166807 ACHRPGWNYYHOBA-MRXNPFEDSA-N 372.375 4.219 0 1 FIAF C[C@]1(C[C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356418 JRASYXJQCDBBPT-OZOXKJRCSA-N 356.393 4.218 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(Cl)c1Cl)[C@@H](C2)C3=O 587421404 LPCHEJQPULHCNX-BTDLBPIBSA-N 351.185 4.196 0 1 FIAF CC[C@H]1c2cc(OC)ccc2CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443764 RRFNEIFHTIKPKW-YCRNBWNJSA-N 364.441 4.330 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1csc4ccc(Cl)nc14)[C@@H](C2)C3=O 587449672 CILKCHZPZSCNMF-YPMLDQLKSA-N 357.818 4.447 0 1 FIAF CCCc1c(O)ccc2c1O[C@](/C=C(\C)N(C)C)(c1ccccn1)CC2=O 587471034 YAMGKURQVPOKRA-LVANHBEFSA-N 366.461 4.066 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3sc(C)cn13)CC2=O 587496910 ATDOMSXCLWBJBX-INIZCTEOSA-N 356.447 4.377 0 1 FIAF CCOC(=O)C[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526240 SHTJEYOENRUIQX-ZHRRBRCNSA-N 356.462 4.413 0 1 FIAF CCCn1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587578667 AZFPJVTUBFKOIJ-GHTZIAJQSA-N 364.401 4.010 0 1 FIAF CCCn1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587763863 MZZWDOLWRAWVOW-DYZYQPBXSA-N 366.278 4.127 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccoc3cn2)N1 587778390 MRQMJOVZLANVTE-XLFHBGCDSA-N 361.214 4.353 0 1 FIAF CCOC(=O)CCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800489 YABDZKSHFIKXSZ-DIFFPNOSSA-N 372.278 4.071 0 1 FIAF Cc1c[nH]c2c1[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587801252 FFWHLMKOAPBJAY-BBATYDOGSA-N 363.274 4.339 0 1 FIAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587848950 QENLCRPLDPQQQX-ANRSDYALSA-N 356.260 4.282 0 1 FIAF Cc1csc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587850936 GQMKLUAAQPUNKT-GLEZIHRCSA-N 355.276 4.151 0 1 FIAF COc1ccc([C@@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCO4)cc1 587936387 KXTYLKHBLSZESJ-OAQYLSRUSA-N 358.397 4.480 0 1 FIAF COc1ccc(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)cc1 587936756 ZCTHRKBMPQIDBV-UHFFFAOYSA-N 356.385 4.487 0 1 FIAF C[C@]1(Cc2ccccn2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962633211 GFNTXVXPKLXMIR-NOZRDPDXSA-N 369.512 4.286 0 1 FIAF COc1ccc2c(c1)[C@]1(N[C@H]3CC[C@@H]23)c2ccccc2CC12CCOCC2 962996243 OIPKULRZGIENBW-NGYIFUPDSA-N 361.485 4.141 0 1 FIAF COCOc1ccc(-c2cc(-c3cc(C)c(O)c(C)c3)cnc2N)cc1 1857613032 DROKAPCFNQYFSE-UHFFFAOYSA-N 350.418 4.303 0 1 FIAF CC(=O)Nc1cc2ccc(OCc3ccc(Cl)cc3)c(C)c2oc1=O 1857655396 LREXDHIUCBNIES-UHFFFAOYSA-N 357.793 4.292 0 1 FIAF COc1cc(C=CC(=O)OCO)ccc1OCC=C(C)CCC=C(C)C 2356568382 AAJFSRCGOHSTPA-UHFFFAOYSA-N 360.450 4.273 0 1 FIAF c1cncc(-c2ccc3ncnc(NCc4ccc5c(c4)OCO5)c3c2)c1 36380617 GKAKYTNTGYXYLB-UHFFFAOYSA-N 356.385 4.033 0 3 FIAF C[C@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc2c(c1)ncn2C1CCCC1 2933265 ZKBWYYXXBZNTDS-CALCHBBNSA-N 368.525 4.144 0 1 FIAF COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@]12Cc1cc(C)cc(C)c1C2=O 5539770 XRYCDSHAJGVWQP-HTAPYJJXSA-N 362.429 4.126 0 1 FIAF O=C(N/N=C/c1cccc(Br)c1)c1cc2c(s1)CCCC2 6224751 UBTPJBCVBRJVPL-VCHYOVAHSA-N 363.280 4.153 0 1 FIAF CCCCC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 13740711 HTJZHVCGODLWLI-QLVMHMETSA-N 365.521 4.123 0 1 FIAF O=C1C[C@@]2(CCCc3ccccc32)OC(=O)[C@@H]1SCCc1ccccc1 13766503 GYQBSBLOVKEGNS-IFMALSPDSA-N 366.482 4.079 0 1 FIAF CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccs2)cc1 13814346 RVBUOUGRRSNQSV-UHFFFAOYSA-N 354.519 4.415 0 1 FIAF Cc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)c(C)c(C)n1 26572705 JRLNLETYDLLGIU-UHFFFAOYSA-N 366.392 4.161 0 1 FIAF CC[C@H](C1=CC(=O)OC1)[C@@]1(C)CC[C@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O 26826910 RXAQOPSWCQZTHW-VYMLBYBYSA-N 374.521 4.059 0 1 FIAF O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCCC3)c12 45348535 WLLDZAMGIXUOIX-UHFFFAOYSA-N 368.502 4.029 0 1 FIAF in-vitro O=C(COc1c(Cl)cc(F)cc1Cl)Nc1ccc2[nH]ncc2c1 53296354 BANSQCFPGCMVRB-UHFFFAOYSA-N 354.168 4.026 0 1 FIAF O=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)NCc3ccccc3CN12 73336780 SBXMNLLYRHZOLC-QFIPXVFZSA-N 360.844 4.300 0 1 FIAF CCNC(=O)c1ccc(C=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)cc1 101018264 ZXBIQGUHDBXQGK-NHCUHLMSSA-N 350.462 4.240 0 1 FIAF CCOc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(SCC)nn21 103532631 WXBQHLXLDKLFDD-KRWDZBQOSA-N 370.478 4.460 0 1 FIAF CC[C@H](C)CNCC(=O)N1CCc2sccc2[C@H]1c1cccc(C)c1 149069939 WELBRTWQUYGMIQ-YCRPNKLZSA-N 356.535 4.166 0 1 FIAF CC[C@@H]1[C@@H]2CCCCn3c([C@H]4C[C@H](C)C(=O)O4)cc(c32)[C@@H]2[C@H](C)C(=O)O[C@@H]21 200676478 RFGMIDHPFYCJDM-BMVOVXEMSA-N 371.477 4.065 0 1 FIAF Cc1nc(C)c(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)s1 587012150 PCTNQFLSQUDULX-UHFFFAOYSA-N 362.327 4.276 0 1 FIAF Fc1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1Br 587017293 USGGHUCAKXAVKY-SNVBAGLBSA-N 368.231 4.440 0 1 FIAF Cc1c(F)ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c12 587019664 STLUWBWMJWKWJJ-UHFFFAOYSA-N 362.430 4.405 0 1 FIAF O=C(Nc1ccccc1Cl)c1nc2c(Br)c(F)ccc2[nH]1 587060268 IVZNTDFMCHIPGU-UHFFFAOYSA-N 368.593 4.370 0 1 FIAF O=C(NCc1nc2cc(Cl)cc(F)c2[nH]1)c1cccc(C(F)(F)F)c1 587110851 FNFKAAYXQSELSM-UHFFFAOYSA-N 371.721 4.304 0 1 FIAF OC1(c2nc3cccc(Br)c3[nH]2)CCC(C(F)(F)F)CC1 587125532 GTRDZRNQOFJPIJ-UHFFFAOYSA-N 363.177 4.266 0 1 FIAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(Cl)ncnc3[nH]2)c1 587159320 YBTUYKJZNRJURD-UHFFFAOYSA-N 368.799 4.412 0 1 FIAF Nc1cc(C(=O)O)cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587248836 FSLQRIRWULBVAY-UHFFFAOYSA-N 371.702 4.062 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3cc(C)c(Cl)cc3c1=O)O2 587379300 HOPWYSIVMLSJRY-GOSISDBHSA-N 369.804 4.352 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)cc1Cl)[C@@H](C2)C3=O 587418031 GPHLXQHQEFNZJB-HRAATJIYSA-N 369.848 4.438 0 1 FIAF O=C1C[C@@](Cc2ccc(Cl)cc2)(C(=O)O)Oc2c1ccc1c2CCCC1 587503356 UEMFXZXZVAPZKX-NRFANRHFSA-N 370.832 4.250 0 1 FIAF COc1ccc([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587505941 MGXVVJHWCPVTFG-NRFANRHFSA-N 372.848 4.080 0 1 FIAF CCC(=O)CC[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599256 DMTTZFTUYXQXTF-GHTZIAJQSA-N 354.402 4.262 0 1 FIAF Cc1[nH]c2ccc(F)c(Cl)c2c1CCN1C(=O)c2ccccc2C1=O 587632104 OVUYABLRHOQRJQ-UHFFFAOYSA-N 356.784 4.108 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)ncn3C)N1 587755264 HHQWJXRCKXWOEC-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF Cc1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587773929 SJRCPFOVNOQXDG-KZULUSFZSA-N 363.274 4.284 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c[nH]nc3c2)N1 587789923 BZXXCZSXEYGOHR-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@@H]1CCCC[C@@H]1C 587872756 PXFTWXAWRJJUDH-XJKSGUPXSA-N 361.486 4.389 0 1 FIAF O=C(NC12CC3CC(CC(C3)C1)C2)n1nc2cc1Oc1ccc(F)cc1-2 587875943 VXFNWHQWXMKARQ-UHFFFAOYSA-N 353.397 4.321 0 1 FIAF COc1ccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 621429880 CYJGTELQWPRXEJ-UHFFFAOYSA-N 364.426 4.011 0 1 FIAF CCCCCOc1cc(Cl)c2c(CCC(=O)O)c(C(=O)O)[nH]c2c1 1857763631 KVNBTSKZZXLKBL-UHFFFAOYSA-N 353.802 4.106 0 1 FIAF C[C@@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)CCC1CCCC1 61905829 GFYOUSRPBVSONT-QHCPKHFHSA-N 368.521 4.465 0 3 FIAF CCc1ccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)cc1 66167360 RCOIZIFMFNASTI-UHFFFAOYSA-N 356.809 4.249 0 3 FIAF O=c1[nH]c(C2=C[C@H](N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12 28954631 HYCGKBODUXUFQK-HXUWFJFHSA-N 369.468 4.258 0 1 FIAF CCc1c(Cc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)nn1CCO 38464256 MKMYWGCLNHNQLK-UHFFFAOYSA-N 367.198 4.354 0 1 FIAF CC[C@H]1[C@H](C)C(=O)C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 40670365 OQUJWCCEFSDNKI-DMGHLFLOSA-N 367.533 4.225 0 1 FIAF CN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccncc2)cs1 45245198 OAJWKACTGAROAZ-UHFFFAOYSA-N 374.263 4.244 0 1 FIAF COc1ccc2c(c1)[C@]1(OCCC=C[C@@H]1C)C(=O)N2Cc1ccc(F)cc1 66136327 CRBQYYFIXCEXPB-NYHFZMIOSA-N 367.420 4.189 0 1 FIAF COc1cc(NC(=O)[C@@H](C)c2cccc(F)n2)ccc1-c1ccnc(C)c1 95572497 LRRQWOUITVTVKQ-AWEZNQCLSA-N 365.408 4.342 0 1 FIAF C(=C/c1ccc([C@H]2[C@H]3CN(Cc4nccs4)C[C@@H]2N3)cc1)\c1ccccc1 100108452 MGYKNHXYXRUMTQ-XXTYNBNQSA-N 373.525 4.253 0 1 FIAF c1cc2cc(-c3nc(N4C[C@H]5CC[C@H](C4)O5)c4sccc4n3)ccc2[nH]1 101307045 XGYOLCHTMBWRGA-HUUCEWRRSA-N 362.458 4.207 0 1 FIAF O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(Cl)cccc1Cl 147173151 MROYYAOBHCNTQW-UHFFFAOYSA-N 373.239 4.279 0 1 FIAF Cc1ccnc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1 224835751 JNNOFONWIHSFLB-UHFFFAOYSA-N 373.391 4.423 0 1 FIAF CCCCCC[S@](=O)C[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 253683062 DXUUKSQGPDLBMH-SYXTWMOOSA-N 370.555 4.310 0 1 FIAF COc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)c3ccccc32)cc1 299822580 AMXICXOAZGTXLT-QZQOTICOSA-N 368.392 4.236 0 1 FIAF Cc1nc(-c2c[nH]cc2-c2nc3ccnc(Br)c3[nH]2)cs1 587021991 SCHSGRLCMDYXDZ-UHFFFAOYSA-N 360.240 4.147 0 1 FIAF Cc1ncsc1-c1c[nH]cc1-c1nc2cncc(Br)c2[nH]1 587028279 OVFQBNZYPHZIKC-UHFFFAOYSA-N 360.240 4.147 0 1 FIAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(Br)cc2[nH]1 587058630 HORXXAUNESEVDR-LBPRGKRZSA-N 350.647 4.221 0 1 FIAF O=C(Nc1ccccc1Cl)c1nc2c(Br)cccc2[nH]1 587060212 GDPLRJYCYMZLTG-UHFFFAOYSA-N 350.603 4.231 0 1 FIAF Oc1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587116314 COTRSYXLSNGZFI-UHFFFAOYSA-N 370.762 4.257 0 1 FIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Cl)cc3[nH]2)C(F)(F)C1 587132535 SBJJQJHPXVLWSW-JTQLQIEISA-N 357.788 4.186 0 1 FIAF O=C(CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(F)cc1 587163676 UIBUCCDFLUKHAN-UHFFFAOYSA-N 352.287 4.416 0 1 FIAF O=C(/C=C/c1nc2cc(Cl)c(Cl)nc2[nH]1)Nc1ccc(F)cc1 587167512 STZVHFNENWUYAJ-AATRIKPKSA-N 351.168 4.056 0 1 FIAF Cc1nccc2[nH]c(-c3cc(I)ccc3Cl)nc12 587183101 RIBAMRPYDKNHLV-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587242918 YYCGDFGTHXOCJZ-UHFFFAOYSA-N 351.303 4.270 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2COc2ccccc21 587406962 GFDCRDMUSVRKCD-QHCPKHFHSA-N 357.409 4.379 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1C(F)(F)F)[C@@H](C2)C3=O 587419521 GOMNJAJVTLXQHR-SJCJKPOMSA-N 352.283 4.342 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)c4cc(OC)ccc41)[C@@H](C2)C3=O 587441003 DMUYHABOZAPKJB-HTAPYJJXSA-N 350.414 4.028 0 1 FIAF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2cccnc2)n1 587514077 FJXBTVHGAOIHEJ-FQEVSTJZSA-N 359.429 4.067 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(O)c1F 587555705 HMRSHISMMAQAKM-OXJNMPFZSA-N 370.307 4.079 0 1 FIAF CC(=O)c1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587623321 FKELRLPTZDFHOT-UHFFFAOYSA-N 355.195 4.071 0 1 FIAF COC(=O)Cc1ccccc1-c1nc2cc(C)cc(Br)c2[nH]1 587782949 AWRHWTXEJAZTOV-UHFFFAOYSA-N 359.223 4.016 0 1 FIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587935853 JOJWSQXCOOTFFV-OQPBUACISA-N 352.221 4.110 0 1 FIAF CCOc1cccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)n1 962691688 ARAHXXMARFCIJB-JLTOFOAXSA-N 358.482 4.072 0 1 FIAF CC(C)c1nn(C)c2c1[C@](C)(CC(=O)C13CC4CC(CC(C4)C1)C3)NCC2 962922440 XAHWJTJHYKEZLX-ZJTJJPTCSA-N 369.553 4.080 0 1 FIAF Cc1sc2c(c1C)CCN[C@H]2c1cccnc1NC(=O)OC(C)(C)C 963031078 STHNCQBWUOMTHM-HNNXBMFYSA-N 359.495 4.342 0 1 FIAF COCCCOc1ccc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1 963104105 HCXZHYAYDAFMTN-DENIHFKCSA-N 355.453 4.351 0 1 FIAF C[C@@]1(c2cc(F)ccc2-n2ccnc2)c2c(F)cccc2C[C@H]2CCCN21 963112305 XLQNFDUODGRHTN-VGOFRKELSA-N 365.427 4.435 0 1 FIAF COc1ccc(Cl)c2c1CCNC21[C@H](C)[C@H]2CC(CO)C[C@@H](C2)[C@H]1C 963269302 HYNDNCDRWRTYCG-GOIOPGFRSA-N 363.929 4.000 0 1 FIAF O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1NCc1ccncc1 1772642180 XNRLSVDRMONUNU-UHFFFAOYSA-N 356.788 4.134 0 1 FIAF COc1ccc(OC)c(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c1 1772645777 KPRLRQWOVMOOBT-QGZVFWFLSA-N 369.442 4.434 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O[C@H](C(C)=O)C[C@@H]3C(C)(C)CCC[C@]32C)O1 2356671486 ATPOMGXHYRDUKU-FNCFORQESA-N 366.498 4.025 0 1 FIAF CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(C(C)C)cc1 775670 JDSSBMLCULKFIX-INIZCTEOSA-N 358.482 4.263 0 1 FIAF O=C1[C@H]2[C@@H]3S[C@@H](c4cc5ccccc5cc43)[C@@H]2C(=O)N1c1ccccc1 6575389 FKHRJQRQRDBPQA-WTGUMLROSA-N 357.434 4.488 0 1 FIAF Oc1cccc([C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)c1 22939095 HZZCYHBEEHSRRI-DEOSSOPVSA-N 358.485 4.299 0 1 FIAF CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C)c3c2)c(C)c1 28350993 RWEKLGLVVRRTRA-UHFFFAOYSA-N 366.417 4.387 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2S/C(=C\CCCC(=O)O)C[C@@H]21 33985350 ZYMMOTNKRGVMJT-OZUDYXHBSA-N 368.539 4.125 0 1 FIAF COc1ccc([C@H](O)CN[C@@H](C)CCc2ccccc2)cc1C(F)(F)F 45226740 WEPWGSSSKNZVNI-KBXCAEBGSA-N 367.411 4.358 0 1 FIAF CCCCCCN1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccccc1 72136878 DSBYUZJTGKLKIL-VSKRKVRLSA-N 368.525 4.085 0 1 FIAF CCCCCNc1ncnc2c1nc(C(C)C)n2CCN1CCCCC1 82196592 ZSFPZUSKJYAKAP-UHFFFAOYSA-N 358.534 4.038 0 1 FIAF C[C@H]1CCCN1C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144702034 DSMJXXGULMFKQB-BUXKBTBVSA-N 361.363 4.090 0 1 FIAF C=C(CC/C(=C/CC/C(=C/CC/C(C)=C\CO)CO)C(=O)O)C(C)C 150247205 HIFHHPAUYJJLRV-KYJCARRESA-N 350.499 4.408 0 1 FIAF biogenic CN1CC[C@]2(Cc3ccncc3)c3ccccc3N(Cc3ccccc3)[C@@H]12 169369011 BRGRMLXHRNEHCQ-RPWUZVMVSA-N 355.485 4.244 0 1 FIAF CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@]46OC(=O)CC[C@]26[C@H]1N(C3)C5 169643744 YEDQIWUNYSHHCM-CAKXQGDRSA-N 357.538 4.399 0 1 FIAF O=C1c2cc(Br)ccc2O[C@H]2c3[nH]c4ccccc4c3CCN12 473094786 WDRMYDKQIKREMB-SFHVURJKSA-N 369.218 4.020 0 1 FIAF CC(C)C[C@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586902100 YAQMJESNYMQDOM-NSHDSACASA-N 351.166 4.424 0 1 FIAF O=c1ccc2cc(-c3nc4c(F)cc(Br)cc4[nH]3)ccc2o1 586918771 SQEINICUXCPDSH-UHFFFAOYSA-N 359.154 4.238 0 1 FIAF CC(C)(Oc1ccc(Br)cc1)c1nc2cnc(Cl)[nH]c-2n1 586995842 JPTKIUWULMWRJV-UHFFFAOYSA-N 367.634 4.035 0 1 FIAF CCCOc1cc2nc([C@@H](N)c3ccsc3)[nH]c2cc1Br 587025858 SDNZZKDQFYCCNZ-AWEZNQCLSA-N 366.284 4.224 0 1 FIAF Nc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C(F)(F)F)c1 587095169 AXDQQPNNFVRWLO-UHFFFAOYSA-N 357.238 4.152 0 1 FIAF COc1ccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c(F)c1 587149930 WLVDGUKGDUWIHM-UHFFFAOYSA-N 371.156 4.342 0 1 FIAF Cc1cc(Br)c2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2c1 587158835 XZTHBPWHIACOPA-GTNSWQLSSA-N 360.230 4.114 0 1 FIAF O=C(NCCc1nc2cc(Cl)c(Cl)cc2[nH]1)OCc1ccccc1 587228466 MPWREEANCDLKIS-UHFFFAOYSA-N 364.232 4.339 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]ccc32)[C@@H]1c1ccc(F)cc1 587344941 HXUMZJFRTMKHQB-IFMALSPDSA-N 363.388 4.450 0 1 FIAF CC[C@@H]1CCCCN1C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517101 HCANMBNSWQYXRV-HXOBKFHXSA-N 369.505 4.471 0 1 FIAF CCCOc1cccc(Cc2nc3cc(Br)c(C)nc3[nH]2)c1 587567180 FUHLIIGEPWMTKN-UHFFFAOYSA-N 360.255 4.408 0 1 FIAF CC(C)Cn1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587764783 QXFZOEOCWQCZOE-APPDUMDISA-N 366.278 4.064 0 1 FIAF CCOC1=C[C@@]2(CCC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587799762 CSQYIJKAWISESH-APPDUMDISA-N 354.263 4.422 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCOC(C)(C)C2)N1 587835375 WCOUKBWNNMBKDF-GDLVEWKHSA-N 356.279 4.369 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@@](C)(c3cc4ccc(F)c(F)c4o3)c3cccc1c32 963033697 UGIAGLAUNVXHKT-XUSGNXJCSA-N 368.383 4.028 0 1 FIAF Oc1ccc2c(c1)[C@](CC1CC1)(c1ccc(Br)cc1)NCC2 963340726 HQXJOPZQBDKZAS-IBGZPJMESA-N 358.279 4.344 0 1 FIAF C[C@@H]1C(=O)CCC[C@@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832082 KRMHVLCZDLUJBR-VOIUYBSRSA-N 374.484 4.477 0 1 FIAF Cc1nc2cccc(-c3cc4c(O)nnc(C)c4[nH]3)c2nc1NC(C)(C)C 1772630277 NHZYQENPPFGWPW-UHFFFAOYSA-N 362.437 4.101 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)F)c3)C2)cc1 1772635448 UINJQHDEINWIEN-VBKZILBWSA-N 374.431 4.479 0 1 FIAF O=C(Nc1cccc(Cl)c1)Nc1nccnc1OCc1cccc(F)c1 1857655750 GHRJUSYRGHMBHQ-UHFFFAOYSA-N 372.787 4.492 0 1 FIAF Cc1cnc(NC(=O)N2CC[C@@H](Oc3ccc(Cl)c(C)c3)C2)s1 2382242871 ALZWHRMBAZQMET-CYBMUJFWSA-N 351.859 4.099 0 1 FIAF Cc1nc2ccc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)cc2o1 1040519 FLCFMSJYYMXVDF-UHFFFAOYSA-N 364.188 4.405 0 3 FIAF Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3cccs3)c2)c1 2073548 BDGZXLIOAPMCOB-UHFFFAOYSA-N 350.443 4.490 0 3 FIAF Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc3[nH]cc(C)c23)cc1 96018594 AKUKMWBKCSCBLP-LJQANCHMSA-N 354.475 4.311 0 3 FIAF c1ccc2oc(CN3CCc4onc(-c5ccc6c(c5)OCO6)c4C3)cc2c1 12058116 ZFLZQFYIROFUJA-UHFFFAOYSA-N 374.396 4.375 0 1 FIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2oc(O)nc2c1 26006364 TWCWQXPAAXPZKA-INIZCTEOSA-N 366.461 4.136 0 1 FIAF CCc1nc2c(-c3ccc(OC)nc3C)ncnc2n1C(C1CC1)C1CC1 26730307 PLKKYIMXYMAERJ-UHFFFAOYSA-N 363.465 4.129 0 1 FIAF FC(F)(F)Oc1ccc(Cn2cnc3c(-c4ccco4)ncnc32)cc1 28472932 QVZZNAVJIQXEJQ-UHFFFAOYSA-N 360.295 4.033 0 1 FIAF CC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccccc3)CC2)c1 28710557 WECKOLSWDLQBNC-UHFFFAOYSA-N 364.489 4.488 0 1 FIAF N=C(Nc1ccc2[nH]cc([C@H]3CN4CCC3CC4)c2c1)c1cccs1 34806404 BORQIBNGMHXAJX-KRWDZBQOSA-N 350.491 4.476 0 1 FIAF O=C(O)C1=CCCN([C@@H]2CC[C@@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64393138 SKOALCKWENTDHG-RCZVLFRGSA-N 373.496 4.341 0 1 FIAF Cc1ccc(-c2nc(CN3CCN(C/C=C/c4ccccc4)CC3)co2)cc1 72141367 AWPVYAFGIOFCGI-VMPITWQZSA-N 373.500 4.481 0 1 FIAF COc1ccc(C(=O)N2CC[C@@H](c3c[nH]c4ccc(F)cc34)C2)c(C)c1 84689994 AGNZWBWUEREJBY-CQSZACIVSA-N 352.409 4.254 0 1 FIAF CC(C)c1ccc(-c2nnc(SCC(=O)O)n2-c2ccccc2)cc1 326964077 NOHRJYDFJGOHEZ-UHFFFAOYSA-N 353.447 4.234 0 1 FIAF C[C@H](NCCC(=O)c1ccc(Cl)cc1Cl)[C@H](O)c1ccccc1 473136396 QTMQLHGHMRQVIE-SGTLLEGYSA-N 352.261 4.278 0 1 FIAF O=C1CCc2cc3nc(-c4ccccc4-c4ccc(O)cc4)[nH]c3cc2N1 586899039 RNVZCYDCDOZSHN-UHFFFAOYSA-N 355.397 4.487 0 1 FIAF O=[S@](Cc1nc2cc(F)cnc2[nH]1)C(c1ccccc1)c1ccccc1 586961283 UCDFEFQLKLKZRJ-AREMUKBSSA-N 365.433 4.135 0 1 FIAF Cc1ccc(SCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(C)c1 586964981 PLMWRQQPDCDJLN-UHFFFAOYSA-N 366.534 4.224 0 1 FIAF CCn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)n1 586987840 SGHNESRQDSOJCD-UHFFFAOYSA-N 355.397 4.344 0 1 FIAF CCCn1cnc2cc(-c3nc4cccc(O)c4[nH]3)cc(Br)c21 587004453 TXGHGRCSPLKETH-UHFFFAOYSA-N 371.238 4.458 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2n1 587083400 ROPGEFATPYVEHO-UHFFFAOYSA-N 373.199 4.267 0 1 FIAF N[C@H](N=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587092546 VTJWAZCOTOALRJ-CYBMUJFWSA-N 367.356 4.003 0 1 FIAF CCCc1nc(-c2nc3c(F)cc(C)cc3[nH]2)nn1-c1ccccc1F 587157260 YZQYSLBQWNCOPJ-UHFFFAOYSA-N 353.376 4.350 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ncc(Br)cc3o1)O2 587370028 ALPPJBZQICDFCN-MRXNPFEDSA-N 373.206 4.187 0 1 FIAF COC(=O)C[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501109 FNDCYOBBPUSLCH-QFIPXVFZSA-N 368.404 4.128 0 1 FIAF Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc12 587585539 FPXBIRCMPOCGRZ-GHTZIAJQSA-N 372.380 4.051 0 1 FIAF Cc1cc(O)cc(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611261 RTRLDISCARNZGD-SIKLNZKXSA-N 362.381 4.418 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N)ccc2F)N1 587717724 LOWNOEMYYIWWGV-HUTHGQBESA-N 367.237 4.107 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cnn(C)c23)N1 587761206 UDHCAQMYCGKRSD-QGHHPUGFSA-N 374.257 4.099 0 1 FIAF COC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587796293 SYWSMJXPHHOHSC-KZULUSFZSA-N 364.258 4.012 0 1 FIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O 587824350 ZVLVYJKUTMMRMI-ZMZPIMSZSA-N 364.258 4.400 0 1 FIAF COc1ccc(CCCc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1OC 587926306 WUUQUBXPMBWTKQ-UHFFFAOYSA-N 353.466 4.448 0 1 FIAF CN[C@H](C)[C@]1(c2ccc(OC)cc2)NCCc2cccc(-c3ccccc3)c21 962666175 LFSGKEQHDKBNBI-IQGLISFBSA-N 372.512 4.359 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(Cl)nc3ccccn23)N1 962947137 NFNBCBHCQPOGMV-KPZWWZAWSA-N 350.853 4.483 0 1 FIAF Cc1cc(Cl)c([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(Cl)c1 963026106 NHLWDSGBFXZDLY-WLRWDXFRSA-N 361.272 4.445 0 1 FIAF Clc1ccc2c(NCCCNCc3ccc4c(c3)OCO4)ccnc2c1 1772577696 KMDPUNCRTTTYLF-UHFFFAOYSA-N 369.852 4.209 0 1 FIAF CC1(C)CN(Cc2c(-c3ccccc3)[nH]c3ccnc(Cl)c23)CC[C@H]1O 1772583742 GZKBSEUJYGWRFJ-QGZVFWFLSA-N 369.896 4.476 0 1 FIAF CCCCCOc1cc(Cl)cc2[nH]c(C(=O)O)c(CCC(=O)O)c12 1857646833 LLHSZCBXZSZLLL-UHFFFAOYSA-N 353.802 4.106 0 1 FIAF CCOC(=O)[C@@]1(C)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)oc1C 61928690 DLKURAJQEAWJLQ-LJQANCHMSA-N 361.825 4.076 0 3 FIAF COc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3OC)c2c1 4239287 VHVYRHXPDKAXIW-UHFFFAOYSA-N 374.444 4.297 0 1 FIAF CCc1c(Oc2cc(C)cc(C)c2)n(CCC2CCCC2)c(=O)[nH]c1=O 6424894 KQNYTTKONBZUQB-UHFFFAOYSA-N 356.466 4.088 0 1 FIAF CC[C@H](C(=O)Nc1ccccc1OC)n1c(C(=O)OC)cc2sccc21 6820498 SGSXHVHQSHMBHG-CYBMUJFWSA-N 372.446 4.088 0 1 FIAF CO[C@@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 13472040 IJKYJDDNDXAREJ-QFIPXVFZSA-N 351.490 4.156 0 1 FIAF CC(C)Nc1nc2sc3c(c2c(=O)s1)CCN(Cc1ccccc1)C3 13678173 MHKXRENUVBFXSR-UHFFFAOYSA-N 371.531 4.097 0 1 FIAF O[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)C[C@@H]1NCc1ccccc1 28461912 KVFPFYVUWUNGRU-VXNXHJTFSA-N 373.496 4.127 0 1 FIAF COc1cc([C@H](OC)[C@@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)ccc1O 29039201 GTPIPDMTEBZKCI-DGCWBMGLSA-N 358.434 4.332 0 1 FIAF biogenic C[C@@H]1CC2=C(C(=O)O1)[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 40424077 XLYBTASYNKDQQN-MLCYQJTMSA-N 369.804 4.216 0 1 FIAF CCN1CCN[C@H](c2ccc(O)cc2Cl)[C@@H]1c1ccc(O)cc1Cl 40810574 LJDIRBHJSCLWRK-MSOLQXFVSA-N 367.276 4.112 0 1 FIAF CCOC(=O)CSc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1 40861225 RGBSKQRTBGODPP-UHFFFAOYSA-N 374.853 4.077 0 1 FIAF NCCCCN(Cc1nc2ccccc2s1)[C@H]1CCCc2cccnc21 49089453 HDPDPZTXBSYONE-SFHVURJKSA-N 366.534 4.310 0 1 FIAF Cc1c(C(=O)N(Cc2cccs2)C2CCNCC2)oc2ccccc12 95578997 ZYJSJBZEGJGPQK-UHFFFAOYSA-N 354.475 4.197 0 1 FIAF COc1cc(OC)c(-c2csc(NC(=O)c3ccccc3)n2)c(OC)c1 95585380 ZJDYLSQTHJENPV-UHFFFAOYSA-N 370.430 4.088 0 1 FIAF C(=C/c1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)C[C@@H]2N3)cc1)\c1ccccc1 100106570 NMJOVINWKREFBH-NUBQFCIGSA-N 367.496 4.192 0 1 FIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)C1 101706565 KWGIXLKUUUKGLB-XPFWREHLSA-N 367.537 4.124 0 1 FIAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(C)cc1)c1ccccc1 103214122 UGMZQASYSIPYCF-GOSISDBHSA-N 364.334 4.102 0 1 FIAF CC[C@H](C)CN1C[C@@H]2CC[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 299813882 XNSDAFDBNJBZTP-LUVWLHFXSA-N 369.336 4.480 0 1 FIAF CCCOc1cc2nc([C@H](N)c3ccsc3)[nH]c2cc1Br 587025867 SDNZZKDQFYCCNZ-CQSZACIVSA-N 366.284 4.224 0 1 FIAF COc1cc(/C=C\c2nc3ncc[nH]c-3n2)cc(Cl)c1OCC(C)C 587047425 WSVMVYUSAUEKSN-PLNGDYQASA-N 358.829 4.172 0 1 FIAF Cc1ccc2c3c(cc(-c4c[nH]c(C(=O)O)c4)nc13)-c1ccccc1C2=O 587098173 VRYPZKVWYWQVRJ-UHFFFAOYSA-N 354.365 4.448 0 1 FIAF COc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cn1 587138105 WJDPIIWHGGEHMN-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF Nc1c(-c2nc3ccc(Br)cc3[nH]2)cnc2c(F)cccc12 587176938 WLHHVKIURNGWHN-UHFFFAOYSA-N 357.186 4.262 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Cl)nc2[nH]1)C(C)(C)C 587204815 LXVCLPVZUIYAKY-NSHDSACASA-N 352.866 4.093 0 1 FIAF O=C(OCc1ccccc1)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@H]2C1)CC5 587211489 FPPFSRXNSGPKJE-MJGOQNOKSA-N 370.452 4.242 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(N(C)C(=O)OC(C)(C)C)CC1)O2 587386074 HKICPOFNYDRTHK-UHFFFAOYSA-N 374.481 4.091 0 1 FIAF C[C@@]1(c2cc(O)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555881 HNXRHJBAEPMOIW-NQIIRXRSSA-N 366.344 4.114 0 1 FIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587570671 XBRNAOZCBUYTST-NQIIRXRSSA-N 366.344 4.243 0 1 FIAF CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C12CCC2 587601323 RZOJVNSRPYYMLH-HMFYCAOWSA-N 366.413 4.072 0 1 FIAF COc1cccc(OCc2ccc(-c3nc4cc(CO)ccc4[nH]3)cc2)c1 587781566 XFUCSMYPMNLKMA-UHFFFAOYSA-N 360.413 4.310 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccc3cc[nH]c23)N1 587807778 XZZGGEICAIBBHX-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF CC[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587817046 HMTLGGNXIJJHPM-WVQJBOLRSA-N 354.263 4.097 0 1 FIAF CSC1([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)CC1 962628400 ATURBCYXCIHAGX-FPOVZHCZSA-N 350.531 4.370 0 1 FIAF Clc1ncc2c([C@H]3c4ccsc4CCN3Cc3ccco3)cnc-2[nH]1 962705952 GITCPFMWJUAAHS-MRXNPFEDSA-N 370.865 4.365 0 1 FIAF COc1cccc2cc3c(nc12)[C@@]1(CCc2c(Cl)cccc21)NCC3 963032498 JMGQTHPEXNXZMC-NRFANRHFSA-N 350.849 4.232 0 1 FIAF CC[C@@]1(c2cc(C(=O)O)ccc2F)c2ccc(F)cc2C[C@@H]2CCCN21 963113196 SGHIWISWVWAVCB-KKSFZXQISA-N 357.400 4.337 0 1 FIAF O=C(O)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1F 1857631002 HWFHDTGSONIMIP-CQSZACIVSA-N 356.180 4.078 0 1 FIAF CC=C1[C@H](O)C[C@]2(C)[C@@H]3CC=C4C[C@@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356693214 BZACCZGEYNSNNQ-CMJKNBCVSA-N 373.581 4.157 0 1 FIAF CCN(CC)c1nc(SCC(=O)Nc2ccccc2)c2ccccc2n1 2382261102 YONZWEYJSLUKHE-UHFFFAOYSA-N 366.490 4.207 0 1 FIAF CCCN1CC[C@@H]2CC(=O)[C@@H](Cc3ccc(OC)cc3)[C@@H]3CCC[C@H]1[C@@H]23 211062328 RRRGKFRGFXTFPJ-JJSQAQTOSA-N 355.522 4.344 0 3 FIAF C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3[nH]ccc23)C1 589779 RTLZRRBLSUHEBN-UHFFFAOYSA-N 358.445 4.212 0 1 FIAF CC(=O)O[C@@H]1OC(=O)c2ccc(C[C@@H]3CCCC(C)(C)C3)c(C(C)=O)c21 5167513 RGZDSRRDRQIAFS-VBKZILBWSA-N 358.434 4.380 0 1 FIAF biogenic CSc1ccc(C(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)cc1 11661810 OOKAHKOMYSIQGL-IBGZPJMESA-N 354.519 4.145 0 1 FIAF CCOc1ccc(-c2oc3ccc(C(=O)O)cc3c(=O)c2OC(C)C)cc1 27078882 GQXXHHPRPVLWQI-UHFFFAOYSA-N 368.385 4.344 0 1 FIAF Cc1cc(-c2c(F)cc3c4n[nH]c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1 27329010 PZNPMROXAKTVCM-UHFFFAOYSA-N 366.371 4.121 0 1 FIAF Cc1ccccc1N1CCN(Cc2ccc([C@H](O)c3ccccc3)cc2)CC1 27418240 WAAOQMDEBBISAN-RUZDIDTESA-N 372.512 4.399 0 1 FIAF COc1cc(-c2coc3cc(O)ccc3c2=O)cc(CC=C(C)C)c1O 31170055 QUEKPLVCWBLFCL-UHFFFAOYSA-N 352.386 4.389 0 1 FIAF biogenic O=c1c2ccccc2c(Nc2n[nH]c3ccccc23)nn1-c1ccccc1 66099902 SGLUSJNGNVRYHM-UHFFFAOYSA-N 353.385 4.006 0 1 FIAF COC(=O)[C@@H]1C[C@]23CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 85956529 USASLHCCADYMNF-CJNMCULZSA-N 362.510 4.362 0 1 FIAF endogenous,in-man CC1=C(c2nc(-c3ccccc3)cs2)[C@H](c2cccc(O)c2)NC(=O)N1 145364220 YZTYBEBVYYSQPV-SFHVURJKSA-N 363.442 4.301 0 1 FIAF O=C(O)CCC/C=C\C[C@H]1[C@H](/C=C/[C@@H](O)C2CCCCC2)[C@H]2CC[C@H]1O2 253695650 CEHGUSRXHYTTPN-SQHIBBETSA-N 362.510 4.479 0 1 FIAF Oc1cccc2c1OCC(c1nc3c(Br)c(F)ccc3[nH]1)=C2 586906977 BRXUGMWRZLNYEQ-UHFFFAOYSA-N 361.170 4.103 0 1 FIAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cc(F)c2[nH]1 586983383 BNSWAXOXLOLWOM-GFCCVEGCSA-N 368.637 4.360 0 1 FIAF COC(=O)c1ccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2c1 587013091 ZOZZDDJZGQJAAZ-UHFFFAOYSA-N 363.442 4.372 0 1 FIAF Cc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1C 587132137 KVQASFWMEPRPOK-GFCCVEGCSA-N 351.397 4.149 0 1 FIAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Cl)ncnc3[nH]2)cc1F 587151019 OMEJKGPYCVUBIK-HNNXBMFYSA-N 372.762 4.453 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccnc(Cl)c2[nH]1 587201153 IAHBOVMOPNGAPL-UHFFFAOYSA-N 352.866 4.192 0 1 FIAF Cc1cc2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2c(C)n1 587204672 ZNFNJVFGCFKWAS-UHFFFAOYSA-N 365.437 4.092 0 1 FIAF CC(C)CCOc1cc2nc([C@H](N)C3CC3)[nH]c2cc1Br 587255493 HZOVADXAAJEREE-OAHLLOKOSA-N 352.276 4.160 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C1(O)CCCCC1)O2 587403051 DKSKHTVGBBKBQO-QFIPXVFZSA-N 351.446 4.133 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(Cc1cccc(Br)c1)[C@@H](C2)C3=O 587417072 ICSRJRLHYFQUJJ-KXBFYZLASA-N 373.246 4.207 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccccc4)nc1)[C@@H](C2)C3=O 587436443 RCQFBIBFVQODHK-HTAPYJJXSA-N 359.381 4.371 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ncon3)c1)CC2=O 587487260 WFKRERYLESKVIA-GOSISDBHSA-N 350.374 4.101 0 1 FIAF O=C1C[C@@H](c2cnc(-c3ccncn3)s2)Oc2c1ccc1c2CCCC1 587536671 ZBUMDPBXUAAADB-KRWDZBQOSA-N 363.442 4.185 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Cl)c1F 587569633 ROEKWHGIUSQQLY-RDTXWAMCSA-N 371.751 4.283 0 1 FIAF C[C@@]1(c2cccc(O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570745 XQRRLARIAMVTQL-UTKZUKDTSA-N 366.344 4.114 0 1 FIAF COc1ccc(-c2ccc(-c3nc4cc(N)c(N)cc4[nH]3)cc2)cc1OC 587928349 DPIAEEVFSZXBDQ-UHFFFAOYSA-N 360.417 4.079 0 1 FIAF CO[C@H](C)COC1CCC(c2nc3cc(Cl)nc(Cl)c3[nH]2)CC1 587950730 CGXBEGFIRDDCEI-KPPDAEKUSA-N 358.269 4.342 0 1 FIAF CCCOc1cc2nc(CC(C)(C)CC(=O)O)[nH]c2cc1Br 587955844 QWVWYBGGLRWREZ-UHFFFAOYSA-N 369.259 4.158 0 1 FIAF CC(C)c1cnc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962731481 SMFZDWKKNRHURG-GXTWGEPZSA-N 354.397 4.002 0 1 FIAF C[C@H]1CCCCN1C(=O)C[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963110481 PULWSYFYOXMQSE-SGTLLEGYSA-N 355.309 4.145 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2C1(c2ccccc2)CCOCC1 963581703 OBTKVFQKBWITCO-ZHRRBRCNSA-N 367.489 4.028 0 1 FIAF COc1ccc(/C(=C/c2ccccc2)CC(=O)NCCc2ccccn2)cc1 1911573765 KLMNWQXMAVTHTD-HEHNFIMWSA-N 372.468 4.380 0 1 FIAF CCn1c(=O)c2ncoc2c2cc(F)c(-c3cc(F)c(N)cc3F)c(C)c21 2382217451 AABNFCVOGXAGFQ-UHFFFAOYSA-N 373.334 4.138 0 1 FIAF CC[P@](=O)(OC)c1ccc2nc(-c3cccnc3C(F)(F)F)oc2c1 2382234464 DJQMKZAWNJQRPL-VWLOTQADSA-N 370.267 4.478 0 1 FIAF Cc1ccccc1CN1CCC[C@H](C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1 12317901 PJXOUQLXCOFMLY-FQEVSTJZSA-N 374.488 4.236 0 3 FIAF CC(C)=CCc1c(O)cc2occ(-c3ccc4c(c3)OCO4)c(=O)c2c1O 6293608 FTBGFGQPUMCUSC-UHFFFAOYSA-N 366.369 4.109 0 1 FIAF biogenic,in-vitro CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c(C[C@H]2OC2(C)C)c1O 13434908 PRFYQPIRUTZKDO-SWLSCSKDSA-N 362.466 4.261 0 1 FIAF biogenic CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1CO 13742188 MVDUOWBSONOKGA-UHFFFAOYSA-N 350.418 4.462 0 1 FIAF O=S1(=O)c2ccccc2Oc2cccc([C@H](O)c3cccc(Cl)c3)c21 26186329 KVXZWSIVLALKMM-GOSISDBHSA-N 372.829 4.360 0 1 FIAF Brc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1 28572221 XCSIZNVMVBVSHP-UHFFFAOYSA-N 366.222 4.322 0 1 FIAF CCCC[C@]12C[C@@]1(C(=O)Nc1ccncc1)C(=O)Nc1ccc(Cl)cc12 34821602 LLFBNTRGWWURRB-WOJBJXKFSA-N 369.852 4.144 0 1 FIAF COc1ccc(OC)c2cc3c(cc12)C(=O)c1occ2c1[C@@]3(C)CCC2=O 38244482 HJGVPGQUGOEPRF-QFIPXVFZSA-N 362.381 4.277 0 1 FIAF biogenic O=c1cc(NCCNCc2cccc(-c3ccccc3)c2)[nH]c2ccccc12 45195524 NUCACACTZNOFCG-UHFFFAOYSA-N 369.468 4.397 0 1 FIAF Cc1c([C@H](C)OC(=O)Nc2ccc(Cl)c(Cl)c2)oc2ncnn12 66252728 UUOVGXMBILZJEO-QMMMGPOBSA-N 355.181 4.247 0 1 FIAF COc1ccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)cc1OC 74386142 QMPRHHYZLXHUHQ-UHFFFAOYSA-N 363.392 4.143 0 1 FIAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)c1c(Cl)cccc1Cl)C2 101324015 WEXGUXLSIINDOQ-LLVKDONJSA-N 365.212 4.249 0 1 FIAF O=C(c1ccncc1)N1N=C(c2ccccn2)C[C@H]1c1ccccc1Cl 102232434 UESKQQRJTYTMNI-IBGZPJMESA-N 362.820 4.122 0 1 FIAF Nc1ccc2c(c1)C(=O)c1ccc(Oc3ccc(F)cc3F)cc1OC2 103273305 QKJDWEPYPRMTBD-UHFFFAOYSA-N 353.324 4.463 0 1 FIAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(Cl)cc1OCCCC(F)(F)F 143159948 LVBOJKUDPCHPOK-UHFFFAOYSA-N 374.746 4.002 0 1 FIAF CC(C)N1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)[C@H]2CCCC[C@@H]21 143730913 NDPDRNAYXPWNKG-SFTDATJTSA-N 359.473 4.443 0 1 FIAF CCOC(=O)/C=C(\C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990501 YFIFQTHJPLTDTG-ZRDIBKRKSA-N 359.381 4.118 0 1 FIAF Oc1nccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587002074 SLAYAWHGASDYPT-UHFFFAOYSA-N 370.206 4.158 0 1 FIAF Cc1ccc2c3c(cc(-c4cnc(S)nc4O)nc13)-c1ccccc1C2=O 587102944 SSNICOZHAADWRE-UHFFFAOYSA-N 371.421 4.206 0 1 FIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccnc4[nH]3)c(F)c2)c1 587147001 FCPAFTHJRNNJTL-UHFFFAOYSA-N 363.348 4.138 0 1 FIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccnc(Cl)c2[nH]1)C(C)(C)C 587204851 MNPFKUMNGMKNBM-LLVKDONJSA-N 352.866 4.093 0 1 FIAF N[C@H](N=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242135 HNFAGFPGNIJHGE-LJQANCHMSA-N 359.389 4.403 0 1 FIAF CC(C)OC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357925 WTDDDFUKCDBUSL-BSLVTKGXSA-N 356.393 4.216 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ncc(C(F)(F)F)cc13)O2 587383578 SUQMRIGIBMTTQZ-HNNXBMFYSA-N 361.323 4.179 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(C)c1)[C@@H](C2)C3=O 587412204 HZWCOWDNEYFEFL-SCLBCKFNSA-N 359.219 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCOc4c(Cl)ccc(C)c41)[C@@H](C2)C3=O 587423098 UBXJNVOHQXPJAS-RNODOKPDSA-N 356.805 4.082 0 1 FIAF C[C@H]1C(C)(C)[C@H](C(=O)O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529605 QDDMGLZDQRUOMM-YOKWENHESA-N 356.462 4.426 0 1 FIAF CNc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581332 VXRSPKYDKDMFEM-UGKGYDQZSA-N 361.397 4.311 0 1 FIAF CCCCCC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604457 TZYXNYIVCPRMOR-UWJYYQICSA-N 370.401 4.148 0 1 FIAF CC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587604559 WUXUAOHLYDVSKH-DENIHFKCSA-N 360.365 4.298 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CF)n2)N1 587714018 DVNXJSDGPKDYEO-FVMDXXJSSA-N 353.210 4.076 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cnc2F)N1 587740535 XXWAMGXZXGINOV-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF CCn1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587755207 GSJWXYROCBOYAV-XLFHBGCDSA-N 366.278 4.045 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccncc32)N1 587779621 UTSFDZSHMLQZPI-ZMZPIMSZSA-N 361.258 4.097 0 1 FIAF COc1cccc(C2(c3nc4cc(OC)cc(OC)c4[nH]3)CCCC2)c1 587933859 XHUYYLQJTBHTOU-UHFFFAOYSA-N 352.434 4.449 0 1 FIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc5ncccc5c4[nH]1)(C3)C2 587951636 XAYMWEIWCNAGCR-BXBLUCELSA-N 361.445 4.265 0 1 FIAF CCOc1ccc([C@@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962634333 TZJVJVMWYNPOEQ-QRQCRPRQSA-N 355.478 4.242 0 1 FIAF CCOC(=O)/C=C/c1cc2c(cc1/C=C/c1ccc(OC)cc1)OCO2 1772610521 LRLHITSDAZIIKC-VCABWLAWSA-N 352.386 4.171 0 1 FIAF NCCCCN=c1cc(/C=C/c2ccncc2)[nH]c2ccc(Cl)cc12 2382240801 UMTGYPWQIFOYLK-HWKANZROSA-N 352.869 4.026 0 1 FIAF CCCC[C@H](CCc1ccccc1)N(C(=O)OC)N1CCC[C@H]1COC 5784585 CHKGCDMGPPZZAL-UXHICEINSA-N 362.514 4.272 0 1 FIAF O=C1Nc2cccc3c2[C@]1(CCCCN1CCc2ccccc2C1)CCC3 13817845 PUBJWCSGOQBHSX-DEOSSOPVSA-N 360.501 4.441 0 1 FIAF O[C@@H](Cc1cccc(Br)c1)CN1CCC(c2ccccc2)CC1 13824011 ANCSSFCYCYJZLW-FQEVSTJZSA-N 374.322 4.232 0 1 FIAF OCC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1 28878441 JZSMSBPFOFGZLG-UHFFFAOYSA-N 354.881 4.347 0 1 FIAF [O-][N+]1=C(c2ccccc2F)c2cc(Cl)ccc2-c2nc(S)ncc2C1 29343170 ZWCDMVXBRYPESI-UHFFFAOYSA-N 371.824 4.086 0 1 FIAF CCCC[C@@]12C[C@]1(C(=O)Nc1ccncc1)C(=O)Nc1ccc(Cl)cc12 34821600 LLFBNTRGWWURRB-PMACEKPBSA-N 369.852 4.144 0 1 FIAF CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)[C@H]2[C@H](C(=O)O)[C@@H]3CC[C@H]2O3)c1 64527106 XBODVQKZKVSVAE-XMTFNYHQSA-N 373.493 4.098 0 1 FIAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2 73195667 SKIKZARVXIZUJL-MKSNKDDYSA-N 373.859 4.079 0 1 FIAF CCOC(=O)[C@@H](C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)OC(C)(C)C 95557339 VLLHCVWYRFYJLE-SCLBCKFNSA-N 372.465 4.201 0 1 FIAF CC1(C)CC2=Nc3nc(O)nc(O)c3[C@H](c3ccc(Cl)cc3)C2=C(O)C1 104082861 VYYUMQCHEFXAJY-CYBMUJFWSA-N 371.824 4.391 0 1 FIAF NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc2ccccc2[nH]1 299861083 HSVPBOYFJAAXAJ-UHFFFAOYSA-N 361.426 4.248 0 1 FIAF N[C@H](N=O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586895056 MZTLGGQLRUULJF-HXUWFJFHSA-N 358.401 4.113 0 1 FIAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 586909604 YVCYJRKOJKIQMH-QMMMGPOBSA-N 363.186 4.045 0 1 FIAF O=C(O)c1cccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586914436 JOVIHWDZRYPIRD-UHFFFAOYSA-N 374.352 4.029 0 1 FIAF Cc1nn(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c(C)c1Br 586978987 NFJYPVMQNVPCQP-UHFFFAOYSA-N 374.069 4.494 0 1 FIAF Cc1nc(C2CC2)sc1-c1nc2c(F)cnc(Br)c2[nH]1 587011081 BYNACBYMYMCAFX-UHFFFAOYSA-N 353.220 4.169 0 1 FIAF Nc1ccnc2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc12 587067663 JOUNJWOBTXNJIA-UHFFFAOYSA-N 350.809 4.020 0 1 FIAF Fc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1F 587076958 PVXKVWGGHYQQMK-UHFFFAOYSA-N 360.751 4.330 0 1 FIAF COC(=O)c1ccnc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587106965 PMDJRMXPSVGKGB-UHFFFAOYSA-N 366.376 4.295 0 1 FIAF Oc1c(Br)ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 587130620 NAVQLEULBKRNOZ-UHFFFAOYSA-N 355.138 4.299 0 1 FIAF C=CC(=O)Nc1ccc(-c2nc3cc(Br)c(C)cc3[nH]2)cc1 587243366 DFBAMCBIFLTKKV-UHFFFAOYSA-N 356.223 4.425 0 1 FIAF CCn1nccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343690 USNVWFGCOPBYOQ-TZIWHRDSSA-N 366.392 4.022 0 1 FIAF CCCCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587441674 LUQIPKUVPZRQQW-OPAMFIHVSA-N 368.429 4.371 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3nn(C)cc3c1)CC2=O 587475391 LJYZKZTXFAYDJY-OAQYLSRUSA-N 350.418 4.112 0 1 FIAF COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587508507 WCQKSDPUIGRRDK-LJQANCHMSA-N 354.377 4.198 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccnc1Cl 587559042 VLEAHTNHZOWFAO-YJBOKZPZSA-N 371.751 4.283 0 1 FIAF CCCCn1ccnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587758459 XOXZIDSBBFIDOH-MEDUHNTESA-N 366.278 4.208 0 1 FIAF CC[C@@]1(CC(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815690 OTEJUBACAQGSQN-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C=O)c2)N1 587815713 OZJIGQOVDDHJTA-VOJFVSQTSA-N 362.242 4.198 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc(CC)nc1C 587872232 LCKOOCYPAREPSA-UHFFFAOYSA-N 359.426 4.104 0 1 FIAF COc1cc(O)cc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)c1 587930407 BLBFJNSUDHPIAZ-UHFFFAOYSA-N 374.396 4.382 0 1 FIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(C)cnc(Cl)c4[nH]1)(C3)C2 587951013 PYOPACJYVVHILC-NFAYLAGKSA-N 359.857 4.073 0 1 FIAF COc1ccc(/C=C/c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653757090 MHJZDROHUKOFAW-SOFGYWHQSA-N 353.418 4.462 0 1 FIAF Cc1c(F)ccc2c1[C@](c1cccc(Cl)c1N)(C(F)(F)F)NCC2 962149479 WEHFPZYPWFZRLT-MRXNPFEDSA-N 358.766 4.321 0 1 FIAF COc1cc(F)ccc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772600748 YZVQAXWIPUJFGL-INIZCTEOSA-N 359.328 4.235 0 1 FIAF COc1ccc2c(c1)-c1n[nH]c(/C=C3\C(=O)Nc4cc(Cl)ccc43)c1C2 1857656513 ZVXGZGVHUUXQKF-DHDCSXOGSA-N 363.804 4.136 0 1 FIAF CC(=O)Nc1ccc(-c2cc(N[C@@H]3CCCNC3)c3ccncc3c2)cc1 1911579387 WLYQNZYLNRAMFN-HXUWFJFHSA-N 360.461 4.024 0 1 FIAF COc1ccc2[nH]c3cnc(-c4c[nH]c5cc(O)ccc45)c(C(=O)O)c3c2c1 2356799347 UIVNVKHYOJYQFL-UHFFFAOYSA-N 373.368 4.277 0 1 FIAF CCc1ccc(-c2nc(CSCC(=O)NCc3ccco3)c(C)o2)cc1 5057576 QIHUKAZMXGXJAK-UHFFFAOYSA-N 370.474 4.355 0 3 FIAF C[C@H](c1ccncn1)N(C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1 12751038 MBRYCPCETAGMKI-OAHLLOKOSA-N 372.428 4.042 0 3 FIAF COc1ccc(OC)c2c1C=C[C@H](C1(C)SCCS1)[C@@H]2C(C)=O 5712664 YRAWULGEUZEPKB-BBRMVZONSA-N 350.505 4.216 0 1 FIAF Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@@H]1CCNC1 13443162 HREICXYSTRPUKL-MRXNPFEDSA-N 371.444 4.007 0 1 FIAF CCCCC[C@H](O)C(Br)=C(Br)Br 14769662 OMXFNJKEFPNNIB-LURJTMIESA-N 364.903 4.281 0 1 FIAF biogenic C=C[C@](C)(O)CC[C@]1(C)C2=C([C@H](OC(C)=O)[C@@H](O)[C@H]1C)C(C)(C)CCC2 15266495 HEUKTFJGHNRGIR-ZLICUJJFSA-N 364.526 4.159 0 1 FIAF biogenic CCC(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCNCC2)cc1 22939768 MYUXMELNCONESU-QFIPXVFZSA-N 350.506 4.300 0 1 FIAF CCS(=O)(=O)N(Cc1cccnc1)c1cccc(Cc2ccccc2)c1 26833619 XICGUIHRFBKLRT-UHFFFAOYSA-N 366.486 4.029 0 1 FIAF CC(=O)N1c2ccccc2S[C@H]1c1ccccc1OCCCN(C)C 28014317 GAANQPCIQBLSAH-FQEVSTJZSA-N 356.491 4.175 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C[C@@H]2CC[C@H]1N2C 28563080 OXDFFEQFKNRNGA-DOIPELPJSA-N 371.427 4.371 0 1 FIAF Clc1nn2c(-c3ccccc3Br)nnc2c2ccccc12 34216067 GBNKYJHZUILFEZ-UHFFFAOYSA-N 359.614 4.360 0 1 FIAF Cc1c(OCc2ccc(Cl)c(Cl)c2)cccc1N1CCNCC1 40936881 OYFNTXGCTNHUIR-UHFFFAOYSA-N 351.277 4.290 0 1 FIAF CC(=O)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(C(F)(F)F)cc1 43018085 KMOORQLAOWLVLG-UHFFFAOYSA-N 373.334 4.493 0 1 FIAF CCOC(=O)c1cc(-c2cccc(OCc3c(F)cccc3F)c2)on1 45245055 LMYGPYXOHMGALA-UHFFFAOYSA-N 359.328 4.376 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccccc4O)cc3)[nH]c2c1 64528250 RMUNBGWLEGVNIG-UHFFFAOYSA-N 364.426 4.006 0 1 FIAF CC(C)CCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)O 68572308 RRYWRTAPRPBAAB-NSKBAKJYSA-N 364.441 4.184 0 1 FIAF biogenic CCC[C@@H]1CN(c2ccc(OC)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 72138501 KAMOTDUDGVKTOA-UZLBHIALSA-N 366.461 4.103 0 1 FIAF CN(C)C(=O)Oc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1 84632946 QKXVLCDXRQTXMX-UHFFFAOYSA-N 358.401 4.148 0 1 FIAF O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(C(F)(F)F)cc1 103187546 YPQQYJZAPGQLPX-UHFFFAOYSA-N 358.291 4.258 0 1 FIAF O=C1[C@@H]([C@H](O)c2ccc(Cl)cc2Cl)CCCN1Cc1ccccc1 103282691 IYPKGDZAEJAWFZ-SJLPKXTDSA-N 364.272 4.466 0 1 FIAF O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CO)cc3)nc2c1 144407726 MWBIAEHQUHCLFQ-UHFFFAOYSA-N 356.381 4.154 0 1 FIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2c(ccc4ccccc24)O[C@@H]31 220400644 ZDFIDZSMZURJTE-QHCPKHFHSA-N 370.408 4.419 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4c(Cl)ccnc4[nH]3)n2C)cc1 586965733 WZCBYOMDKGQVSB-UHFFFAOYSA-N 370.869 4.008 0 1 FIAF COc1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1C 587218220 GWXVLHXVMKJHSL-NRFANRHFSA-N 371.440 4.399 0 1 FIAF N=c1ncc(-c2cccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)c[nH]1 587255042 WJAPCGKWYGNVOU-UHFFFAOYSA-N 356.216 4.406 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)cc1N1CCCC1)O2 587384164 BNHLBOPAEPJVMH-OAQYLSRUSA-N 354.425 4.197 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nc3sccn13)O2 587384192 YRFJAOFGRJDAMX-LLVKDONJSA-N 367.352 4.012 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1cc3ccccc3o1)O2 587397633 YLAKBSFZIHLBLP-SFHVURJKSA-N 359.385 4.420 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(CN3CCCCC3)cs1)O2 587408674 DAPWDNSNUVZQOE-GOSISDBHSA-N 356.491 4.331 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1nc(Cl)ccc1C(F)(F)F)[C@@H](C2)C3=O 587421356 PMSYQKIDSWLQPJ-FVMDXXJSSA-N 369.726 4.251 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C(=O)OCC)C1CCCC1)CC2=O 587477520 CRSQVAJBKWEZEA-UGKGYDQZSA-N 374.477 4.438 0 1 FIAF O=C1C[C@H](c2nc(Br)cs2)Oc2c1ccc1c2CCCC1 587536589 WYCRSRCNZASCHL-CYBMUJFWSA-N 364.264 4.491 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=COc1ccccc12 587608731 LQQOCSAITPPLHN-KNQAVFIVSA-N 358.349 4.155 0 1 FIAF CC(=O)Nc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CC(=O)O)cc1 587630701 ANLOVOKMNMLKAV-UHFFFAOYSA-N 360.772 4.213 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nn(C)cc3c2)N1 587756403 DKAGABXNEWWCOB-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF CCOc1ncccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587775376 ZNUOQTXQADVMDI-QLJPJBMISA-N 365.246 4.006 0 1 FIAF Cc1cc2c([nH]1)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587800617 BXAGFWCBANGBLI-ZMZPIMSZSA-N 363.274 4.339 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cc3ccccc3C2=O)N1 587828669 PGYMVEUHYCILPU-WYRIXSBYSA-N 372.237 4.227 0 1 FIAF COc1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cc1Cl 587952349 PIPDPGRYVUNQMR-HIFPTAJRSA-N 352.862 4.303 0 1 FIAF COc1cccc(OC)c1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962701956 LVBRNBICVOVHIX-LHSJRXKWSA-N 373.493 4.296 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-n3cncn3)c(C)c2)N1 962955026 XQNJBIUVHUOMOQ-IIBYNOLFSA-N 357.461 4.071 0 1 FIAF CCCCN1C(=O)[C@@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2ccccc21 963102607 FUBSEJQBHOLDFD-WZONZLPQSA-N 364.464 4.237 0 1 FIAF Cc1ccc(-c2sc3ncnc4c3c2CO[P@](=O)(O)CCC4)cc1 1772576606 IVXGOPSEQQBAEV-UHFFFAOYSA-N 360.375 4.315 0 1 FIAF O=C(O)c1cccc(-n2c(/C=C/c3ccsc3)nc3ccccc3c2=O)c1 1857539249 UPIFGTOJMJQYSY-CMDGGOBGSA-N 374.421 4.316 0 1 FIAF CCCC(=O)Nc1cccc(S(=O)(=O)Oc2ccccc2C(C)C)c1 1857771306 GKCNYIKCFPKUDN-UHFFFAOYSA-N 361.463 4.316 0 1 FIAF CCC[C@H](O)CC(=O)CCc1ccc(O)c(OCCc2ccccc2)c1 2356371123 HBJGDYFQGFKWLU-IBGZPJMESA-N 356.462 4.067 0 1 FIAF CC(C)=CCCOc1ccc([C@H](O)CNC(=O)C=Cc2ccccc2)cc1 2356491778 PHOXVUZBKXSZOQ-JOCHJYFZSA-N 365.473 4.285 0 1 FIAF Cn1cc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)c2ccccc21 11938640 SDQANRPBLKEEPF-QGZVFWFLSA-N 351.425 4.034 0 3 FIAF CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 3814247 TXBYPGKNXQTWRM-UHFFFAOYSA-N 354.469 4.481 0 1 FIAF COc1ccc(CNc2ccnc(-c3ccccc3Cl)n2)c(OC)c1 4265906 XWNLYOCFWNAFLE-UHFFFAOYSA-N 355.825 4.426 0 1 FIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1/C=C/c1ccccc1 17539659 LTZHSBVHIKMMIM-RJCMYQOMSA-N 355.434 4.434 0 1 FIAF CCCc1c(OCc2cccc(/C=C/C(=O)O)c2)ccc(C(C)=O)c1O 27888708 HPTGYLMRRFUAMW-DHZHZOJOSA-N 354.402 4.224 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N(C)[C@H](C)Cc2c[nH]c3ccccc23)c(C)c1 28820702 KLRXCMWYNMERGV-QGZVFWFLSA-N 370.518 4.345 0 1 FIAF CC(=O)O[C@@H]1C[C@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]2C[C@@H]3[C@@H]4C[C@@]21C[C@]43C 101668693 GTVZKXBUEWHMES-CTIFNUIJSA-N 360.494 4.272 0 1 FIAF CCCn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1 117857862 MZYWJCNBDWXSJN-UHFFFAOYSA-N 365.506 4.466 0 1 FIAF OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 169310660 TZAWKCIVGVDWDQ-HSZRJFAPSA-N 366.549 4.289 0 1 FIAF Oc1csc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)n1 169726276 JOTVNLULGGLFMD-MRXNPFEDSA-N 357.385 4.483 0 1 FIAF COc1ccc(-c2cc(/C=C3\C(=O)Nc4cc(Cl)ccc43)[nH]n2)cc1 299868864 SMOZMGWLNJZMEF-SXGWCWSVSA-N 351.793 4.231 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc12 586883240 AFRATFDVFXWRGQ-ACJLOTCBSA-N 354.251 4.400 0 1 FIAF c1coc(-c2nc(Cc3nc4cc5c(cc4[nH]3)OCCCO5)cs2)c1 587017527 MXDLJYHPUWZKCO-UHFFFAOYSA-N 353.403 4.032 0 1 FIAF COc1cc(-c2nc3ccc(CO)cc3[nH]2)cc(Cl)c1OCC(C)C 587045678 BVBWHXUSLWVKQL-UHFFFAOYSA-N 360.841 4.419 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2cc(F)cc(F)c2[nH]1)C(F)(F)F 587093671 XWGJDBNEFHIWLK-INIZCTEOSA-N 371.309 4.004 0 1 FIAF COC(=O)[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587097311 LDYYXCRSJIUNEE-QGZVFWFLSA-N 357.409 4.348 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1ccc(F)c(F)c1)O2 587385510 OPDPFYBEWOPDJO-FQEVSTJZSA-N 368.383 4.412 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(C)c(C)c(C=O)c(C)c1C)[C@@H](C2)C3=O 587445044 HEQKODXHCXCDAZ-AOMKIAJQSA-N 350.414 4.230 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(OC)c(F)cc31)CC2=O 587471670 LZSRUASZIFPSKN-OAQYLSRUSA-N 356.393 4.299 0 1 FIAF Cc1cc(C)nc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587512107 KYPGWJQAJNHQNO-NRFANRHFSA-N 373.456 4.469 0 1 FIAF O=C1C[C@](C(=O)O)(c2ccc(Cl)s2)Oc2c1ccc1c2CCCC1 587533511 WNVZWSMEZVJEIO-GOSISDBHSA-N 362.834 4.226 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(F)c1 587567728 BMTMBKHSESTBNU-PXNSSMCTSA-N 354.308 4.373 0 1 FIAF Cc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587610963 HPJAVLSWOFTJJW-OXJNMPFZSA-N 367.426 4.343 0 1 FIAF O=C(Nc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661272 VUOVVXHVXIKPAP-UHFFFAOYSA-N 359.360 4.283 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Cl)c2)N1 587706604 QVEGJOCQYQNKNW-AYVTZFPOSA-N 355.638 4.260 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Cl)cc2F)N1 587731262 YQSNMADGNDQZCV-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(F)c32)N1 587738222 LOKHVYUBNLIIGI-XTZNXHDOSA-N 364.233 4.451 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ncc2Cl)N1 587738878 RGYALQVPJKFFSF-ZIDLFYJRSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ncccc23)N1 587801936 IMMZGEFUODRCLN-FVMDXXJSSA-N 360.230 4.088 0 1 FIAF Cc1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587854787 UAZAMMSQKOIBHN-UOWDBTKRSA-N 355.276 4.285 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccccn1 587865243 YHSHONCNAJFXHO-UHFFFAOYSA-N 361.323 4.051 0 1 FIAF Fc1ccc2c(c1)-c1cc(n(-c3ncnc4c3cnn4-c3ccccc3)n1)O2 587876691 VZOLCJIUURNWBJ-UHFFFAOYSA-N 370.347 3.913 0 1 FIAF Cc1ccc2c(Cn3cnc(F)c3)ccc(OC(=O)OC(C)(C)C)c2n1 1857576444 RUNALVUNQDLSEL-UHFFFAOYSA-N 357.385 4.241 0 1 FIAF COc1ccc(-n2nnc3c4nc(-c5ccccc5)ccc4c(C)nc32)cc1 1857612441 IMFUGQIXQJCLIU-UHFFFAOYSA-N 367.412 4.348 0 1 FIAF CC[C@@]12C[C@H]3C[C@@](C(=O)NC4CCNCC4)(C1)C[C@@](c1ccccc1)(C3)C2 1911576590 POHHMISLEQNWBF-VCFYHUQZSA-N 366.549 4.173 0 1 FIAF CC1=C[C@H](CNC(=O)C(C)C)[C@@H](C(C)C)C[C@H]1Cc1nc2cnccc2[n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c1ccccn1)c1ccc(Br)cc1 2356868791 JZOIRPIRLIEJHE-UHFFFAOYSA-N 354.227 4.101 0 1 FIAF CCOC(=O)[C@H](C)Sc1nc2cccnc2n1-c1c(C)cc(C)cc1C 2382222466 SDSKWBMHXIOQIE-HNNXBMFYSA-N 369.490 4.389 0 1 FIAF c1ccc(-c2ccc3c(c2)C[C@H](CN2CCN(c4ccccc4)CC2)O3)cc1 2382228006 WKZKDHYYDPAMKB-XMMPIXPASA-N 370.496 4.479 0 1 FIAF Cc1cc(=O)n(Cc2cccc(F)c2)c2c1c(C)nn2-c1cccc(F)c1 6917772 OPAGTDGCWAYCPX-UHFFFAOYSA-N 365.383 4.131 0 1 FIAF CC(C)C[C@](CCN(C(C)C)C1CCCCC1)(C(N)=O)c1ccccn1 27521524 YHBMSCSULYFOAL-QFIPXVFZSA-N 359.558 4.284 0 1 FIAF O=C(O)Cc1cc(F)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 29413285 QTRSOQZYDPPSJM-UHFFFAOYSA-N 355.312 4.071 0 1 FIAF COc1oc(=O)c2cc(NC(=O)OCc3ccccc3)ccc2c1Cl 34492451 VMVQEDRUPKEFGF-UHFFFAOYSA-N 359.765 4.204 0 1 FIAF C[S@](=O)c1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 40504100 FLLOWHGYYIGHGP-HSZRJFAPSA-N 352.525 4.243 0 1 FIAF Oc1ccc(-c2nc(CN3CCN(c4cccc(Cl)c4)CC3)co2)cc1 72181709 AMHROMLOBCVZNM-UHFFFAOYSA-N 369.852 4.023 0 1 FIAF CN(C(=O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1)C1CCCC1 95593441 JZKDNJFWWXZRMP-UHFFFAOYSA-N 361.873 4.099 0 1 FIAF CN(C)Cc1cc(OCC[18F])ccc1Sc1ccc(Cl)cc1N 101100520 VGVAYDIHTPWEKS-AWDFDDCISA-N 353.881 4.483 0 1 FIAF CCC[C@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 101795330 CWLFBVVMPWYBAR-ZQAWKMMESA-N 367.533 4.369 0 1 FIAF Cc1onc(-c2ccccc2)c1COc1cc(C2=CCN(C)CC2)ccn1 148448318 LVOQHEIDNJQOJB-UHFFFAOYSA-N 361.445 4.343 0 1 FIAF Cc1ccccc1C(=O)N(C)[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169322543 WIRPOUBVJRCFEP-JTSKRJEESA-N 373.500 4.310 0 1 FIAF O[C@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(Cl)cc12 169334689 IRZLLAIFHYKOPG-XHDPSFHLSA-N 358.791 4.473 0 1 FIAF O=C1NCCc2[nH]c(-c3cccc4ccc(OCc5ccccc5)nc34)cc21 222393998 YBSGHQWNCMWAPW-UHFFFAOYSA-N 369.424 4.095 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C[C@H]2CC[C@H]1N2C 253638729 OXDFFEQFKNRNGA-XRXFAXGQSA-N 371.427 4.371 0 1 FIAF C[C@H]1CC[C@@H]2CC(=O)O[C@H]([C@@H]3C(=O)O[C@@H](C4=CCCC4)[C@H]4[C@@H](C)CC[C@H]43)[C@@H]12 299848937 PNQRQHZSONLAAC-LQLSGNPUSA-N 372.505 4.278 0 1 FIAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)ncc3[nH]2)s1 587015126 XUPWSFSBMJDOGF-QMMMGPOBSA-N 367.272 4.250 0 1 FIAF Cc1cc(Br)cc2nc([C@@H](O)c3ccccc3Cl)[nH]c12 587059258 MXDZKDBPBPSATN-AWEZNQCLSA-N 351.631 4.369 0 1 FIAF COc1ccc(-c2ncccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587393988 OZEGOGPRVPBRJY-HXUWFJFHSA-N 360.413 4.354 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(Br)c1C)[C@@H](C2)C3=O 587413406 OEJWGVVTRXDQNN-UGSOOPFHSA-N 359.219 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCCCC3)s1)CC2=O 587497622 XLLJLMRBEVNHFV-QGZVFWFLSA-N 372.490 4.498 0 1 FIAF O=C1C[C@]2(CCNc3nc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587499826 NEOOJPCAPQZEBZ-FQEVSTJZSA-N 354.837 4.290 0 1 FIAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587607003 GHUIETYJLLSRGG-DENIHFKCSA-N 362.381 4.283 0 1 FIAF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(Cl)c(F)cc2c1CCCO 587631564 OZZYBFJGOBSHOH-JTQLQIEISA-N 370.852 4.471 0 1 FIAF CCO/C=C\[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587720853 ODVZVRPPLIDVNR-VTLASOPKSA-N 364.205 4.133 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(N)cccc2F)N1 587722926 UMWZULDGMDXCEI-XLFHBGCDSA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN=O)(c2ccccc2)N1 587743171 WFSGXYSLFLOBPU-APPDUMDISA-N 363.230 4.132 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C=O)c2)N1 587815711 OZJIGQOVDDHJTA-ADLMAVQZSA-N 362.242 4.198 0 1 FIAF CC1=Nc2ncnn2[C@@H](c2ccc(F)cc2)/C1=C(\O)OC1CCCCC1 618005641 QJHHQJCXRMTULR-HVESIFNPSA-N 356.401 4.232 0 1 FIAF COc1cc2c(c(OC)c1OC)-c1cc3c(ccn3C)cc1C(=O)CC2 653687679 YJWQNGYOYDOBEU-UHFFFAOYSA-N 351.402 4.000 0 1 FIAF COc1ccc([C@]2(C)c3cc(OC)ccc3CCN2C(C)C)c(OC)c1 962095419 YPKSWTRICZNWQT-JOCHJYFZSA-N 355.478 4.242 0 1 FIAF COC(=O)[C@@H]1CC(C)(C)C[C@]12c1ccsc1CCN2Cc1ccco1 962714066 YDHIVMDGIUJCLV-JXFKEZNVSA-N 359.491 4.204 0 1 FIAF CCOc1ccc2c(C)cc(=O)oc2c1COC(=O)/C=C/c1ccccc1 1857551355 VMOOQJRIKUKERO-FMIVXFBMSA-N 364.397 4.257 0 1 FIAF Cc1nc2cccc(-c3cc4c(s3)C(=O)NC4)c2nc1NC(C)(C)C 1857583620 JILYBMJSGXWKEA-UHFFFAOYSA-N 352.463 4.121 0 1 FIAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC(=CC(=O)O)CO 2356565198 RRINIBHGKGLNCO-WAOWUJCRSA-N 350.499 4.195 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1OC(=O)C(CCC=C(C)C)=CC[C@]1(C)O 2356668091 CZYBEMYHXJMNRC-FPOVZHCZSA-N 364.482 4.015 0 1 FIAF CCCCC[C@H](O)C=C[C@H]1[C@H]2CC(=CCCCC(=O)O)C[C@H]2C[C@H]1O 2356712304 XZFRIPGNUQRGPI-VYJAJWGXSA-N 350.499 4.072 0 1 FIAF O=C(NCCCCc1ccccc1)n1c(-c2ccc(Cl)cc2)coc1=O 2382221747 UFYSJVJBQMFSIR-UHFFFAOYSA-N 370.836 4.342 0 1 FIAF CN(C)c1ccnc2sc3c(=O)n(C4CCCCCCC4)cnc3c12 13676142 FVEOBLKOMQNQJN-UHFFFAOYSA-N 356.495 4.358 0 1 FIAF COc1ccc(C(=O)[C@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)cc1OC 14646616 REESMTMKWHNVKU-UONOGXRCSA-N 356.418 4.130 0 1 FIAF biogenic COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1ccccc1 14953405 YPLDWUAEABIXKN-UHFFFAOYSA-N 361.445 4.170 0 1 FIAF in-vivo COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ncc(C)s1 26671983 UOMYRBIPWAVRIA-UHFFFAOYSA-N 353.469 4.241 0 1 FIAF CO[C@@]1(C)CC[C@@H]2[C@H]3[C@@H](CC[C@H]2C)[C@@H](C)C(=O)N(CC(C)(C)C)[C@@H]3O1 27558785 CGSGTVOLHMBNGV-XWUMRELHSA-N 351.531 4.288 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H](OC)[C@@H](CCCCCCCC(=O)O)OC 33820465 NOFLXSQXUWLFHC-WSECZEOJSA-N 358.519 4.329 0 1 FIAF O=C(c1ccc(F)cc1F)N1CCC[C@@H]1c1nc(-c2cccc(F)c2)no1 71341023 XTVPCQRJLOJEFX-MRXNPFEDSA-N 373.334 4.131 0 1 FIAF COc1cc2nncc(-c3cnc(NC(C)C)c(C(F)F)c3)c2cc1OC 73312173 WDTIBQOAFVPYPJ-UHFFFAOYSA-N 374.391 4.467 0 1 FIAF COc1cc(OC)cc(Oc2cc(NCc3ccccc3C)ncn2)c1 82068363 WCZKJFMXXVEINQ-UHFFFAOYSA-N 351.406 4.207 0 1 FIAF CCCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2F)n1 82150396 RXZNEAXBSYLJLN-UHFFFAOYSA-N 358.461 4.223 0 1 FIAF S=c1n(-c2ccc(Br)cc2)c(=S)n2n1CCCCC2 103190527 CUZOSVZQNXULTO-UHFFFAOYSA-N 356.314 4.486 0 1 FIAF O=C1[C@@H]([C@@H](O)c2ccc(Cl)cc2Cl)CCCN1Cc1ccccc1 103282695 IYPKGDZAEJAWFZ-AEFFLSMTSA-N 364.272 4.466 0 1 FIAF CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(O)c2)C2=C(O)CCCC2=N1 103539863 LQAHAEZEWZIHKX-FQEVSTJZSA-N 366.461 4.213 0 1 FIAF Cc1ccccc1C(=O)N(C)[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169322544 WIRPOUBVJRCFEP-VGSWGCGISA-N 373.500 4.310 0 1 FIAF CCOc1ccccc1[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2CCCN21 250517416 PMPQABVTMXXCGE-HKUYNNGSSA-N 356.853 4.249 0 1 FIAF Cc1cnc2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 586977587 YRNMLMORTVNDNN-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF Fc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2c(F)c1F 587005278 QXEBROBWRTWDOI-UHFFFAOYSA-N 362.536 4.458 0 1 FIAF COc1cc2nc(-c3sc(Br)nc3C)[nH]c2cc1Cl 587010994 KSIFYVAWXKJVHK-UHFFFAOYSA-N 358.648 4.419 0 1 FIAF Cc1ncsc1CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587026766 HSJMXILVRDXLAK-UHFFFAOYSA-N 362.327 4.162 0 1 FIAF CCOC(=O)[C@H]1[C@H]2c3nc4c(C)ccc5c4c(c3C[C@H]21)-c1ccccc1C5=O 587098464 SGQMBPUGGIZOPC-UIAACRFSSA-N 369.420 4.203 0 1 FIAF Cc1c(F)ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587167814 FGVBQWKLICYOCA-UHFFFAOYSA-N 351.360 4.275 0 1 FIAF Fc1ccc2c(c1)C[C@H](c1nc3c(Br)cnc(Cl)c3[nH]1)O2 587173748 IOOHPASEIVUCJT-SNVBAGLBSA-N 368.593 4.189 0 1 FIAF Cc1cc(Br)c2[nH]c(CC(=O)Nc3cccc(C)c3C)nc2c1 587238514 BJHIKXSDFSWLPD-UHFFFAOYSA-N 372.266 4.432 0 1 FIAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1 587243155 BWULOIXSFSCDLG-UHFFFAOYSA-N 357.369 4.211 0 1 FIAF CCO[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C 587354548 UYJSBQQYEKYQQX-DXIQSLLYSA-N 370.420 4.464 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CCCN3C)CC2=O 587473745 BVTFHQVQMLDZHV-OAQYLSRUSA-N 351.446 4.434 0 1 FIAF C[C@@]1(c2cc(C=O)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613850 PKFRARQZWCQDSF-PXNSSMCTSA-N 366.394 4.143 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2Cl)N1 587693100 CQRZGZAXYMUWJY-FVMDXXJSSA-N 369.665 4.434 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ncc2Cl)N1 587738876 RGYALQVPJKFFSF-MLXNANBUSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCCC[C@H]2C)N1 587761218 OMLFUMMPTPKDGQ-VFVRVIDISA-N 369.322 4.212 0 1 FIAF Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587795494 XONKZJLFAAMOIF-PIGZYNQJSA-N 351.263 4.331 0 1 FIAF Cc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587852489 LOHGGFXFQIOSLG-PWJLMRLQSA-N 369.303 4.459 0 1 FIAF COc1ccc(-c2cnc3ccc(NCc4cccs4)nn23)c(OC)c1 653751528 ITBCADDLVPENGQ-UHFFFAOYSA-N 366.446 4.087 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1cc(Cl)ccc1Cl)NCC2 962924692 LTFLYPWQJMHNAF-IBGZPJMESA-N 363.288 4.104 0 1 FIAF C[C@@H](c1ccccc1)n1nnc2cnc3ccc(-c4cc[nH]c(=N)c4)cc3c21 1857534798 PNUCNIQUTLBYRJ-AWEZNQCLSA-N 366.428 4.063 0 1 FIAF CC(=O)OCC1=CCC=C(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@H](O)[C@@H]1O 2356608749 HEGSJGWQZOTDDO-CIQXWFTPSA-N 364.526 4.327 0 1 FIAF CC(C)[C@H](N)c1csc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 61908848 KYLVNMQZPOHQBJ-LBPRGKRZSA-N 374.388 4.342 0 3 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccccc1 4152633 AIOKMVNCPJIMSZ-FPOVZHCZSA-N 366.461 4.093 0 1 FIAF CC(C)=CCc1c(O)ccc2c1OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 13380857 QUNOVMVJDFPSOE-QVKFZJNVSA-N 352.386 4.239 0 1 FIAF biogenic COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC 13519222 SEWBUIWTHYNBNC-MSOLQXFVSA-N 362.429 4.037 0 1 FIAF Cc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cn3c(C)c(C)nc3c2O1 13982267 RWROJCCOJKVYCE-IBGZPJMESA-N 363.461 4.028 0 1 FIAF CCCCC/C=C\C[C@H](O)[C@@H](/C=C/[C@@H]1C/C=C\CCCC(=O)O1)OC 14768309 NGVOPKDYDKTASH-WUTLVVTRSA-N 350.499 4.487 0 1 FIAF COc1ccnc(C[S@@](=O)c2nc3c(-c4ccccc4)scc3[nH]2)c1 27520423 SXFAMTOWSJQQHA-VWLOTQADSA-N 369.471 4.003 0 1 FIAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(N)=O)cc21 28571831 AKYOXKZSLULYCY-UGSOOPFHSA-N 363.288 4.207 0 1 FIAF CNc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 29389785 SMZPEZFCUDBVTA-UHFFFAOYSA-N 352.800 4.329 0 1 FIAF CC(C)N(C=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 36189626 LTWNPNPVOVXRJF-FIONBPGRSA-N 374.569 4.085 0 1 FIAF CC(C)CNC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 43010917 TTYLBFYDVOFEBJ-UHFFFAOYSA-N 374.569 4.040 0 1 FIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3noc4ccccc34)C2)cc1 96172943 CGUBFPVKDBYIDM-CQSZACIVSA-N 350.418 4.178 0 1 FIAF CCCOC(=O)CCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 96911359 VBIALSIHBKQBCK-LJQANCHMSA-N 351.874 4.001 0 1 FIAF CC(C)(C)NC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 261191076 ZEQMTWIDCFWVDG-IRJFHVNHSA-N 357.542 4.091 0 1 FIAF CCN(CC)c1ccc(CCNC(=O)c2cc3cc(F)ccc3[nH]2)cc1 299867226 PYUOXGBSHSELQU-UHFFFAOYSA-N 353.441 4.126 0 1 FIAF CC[C@H](O)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586901675 WVSOGPYASNFBPX-AWEZNQCLSA-N 363.339 4.277 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4cc(Cl)ncc4[nH]3)n2C)cc1 586965550 RHXKOQJQPLMRCU-UHFFFAOYSA-N 370.869 4.008 0 1 FIAF O[C@H](c1ccc(Br)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 586997169 OEDAYPOFFCEJDF-CYBMUJFWSA-N 371.156 4.426 0 1 FIAF Cc1ccc2c(ccc3nc([C@@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c32)n1 587174807 SQVNVPKPOUEJKR-OAQYLSRUSA-N 361.376 4.187 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1Br)O2 587384620 GIBMPWXQWDDEIO-OAHLLOKOSA-N 350.187 4.185 0 1 FIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cc(C)ccc1C)[C@@H](C2)C3=O 587429582 PZJGJWRMKJPRKS-GPEVBYCZSA-N 363.457 4.030 0 1 FIAF CCc1ccc(-c2n[nH]cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587438738 HNOKKCRSNMGCJM-OPAMFIHVSA-N 360.413 4.136 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(COc3ccc(Cl)cc3C1)CC2=O 587460731 HMCPGPFFBJXHGU-HXUWFJFHSA-N 358.821 4.337 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(C=COc3cc(OC)ccc31)CC2=O 587485830 KBCLXNBGSNZIJI-OAQYLSRUSA-N 352.386 4.120 0 1 FIAF CC1(C)CSC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587620420 ZGWPUSXCDSOJFT-OXQOHEQNSA-N 356.443 4.256 0 1 FIAF COc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1F 587658291 KBGUFHVVPUZUEL-UHFFFAOYSA-N 364.351 4.340 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2ccc(F)cc2)N1 587729335 HIXHYXKVDBONJU-ZUZCIYMTSA-N 368.221 4.382 0 1 FIAF CC(C)Cn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587756297 CYYWMSZVPKEONL-PIGZYNQJSA-N 366.278 4.064 0 1 FIAF Cc1cc2c(cn1)[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587776479 CZHIOBUWGLEZSH-ZMZPIMSZSA-N 361.258 4.016 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c[nH]nc3c2)N1 587798628 UMARXVMNRCYOHQ-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF CCC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815696 OXTXOXRJSNAJCE-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C=O)c2)N1 587815714 OZJIGQOVDDHJTA-ZMZPIMSZSA-N 362.242 4.198 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C=O)s2)N1 587846892 JHAUYYQVRKHQIC-ABKXIKBNSA-N 368.271 4.260 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Cl)s2)N1 587856239 WXLHQBZRTPOFIA-PWCHPLFNSA-N 361.667 4.322 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1CCOCC1 587865884 NNJWPMUPVMDGES-UHFFFAOYSA-N 368.355 4.034 0 1 FIAF Nc1cccc([C@@]2(CCC(=O)O)NCCc3cccc(-c4ccccc4)c32)c1 962672268 WGKSIYOPXNUUOI-XMMPIXPASA-N 372.468 4.190 0 1 FIAF COc1cccc(OC)c1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962701976 LVBRNBICVOVHIX-SZNDQCEHSA-N 373.493 4.296 0 1 FIAF COc1ccc2cccc([C@@]3(C)NC[C@@H]4CC(=O)N(C)c5cccc3c54)c2c1 963036286 XDAFULFBZMZFBB-UPCLLVRISA-N 372.468 4.165 0 1 FIAF Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1C(F)(F)F 1857566271 APOYWYOEJPPGTP-UHFFFAOYSA-N 365.286 4.455 0 1 FIAF CCOc1cc(-c2nc3c(C)cccn3c2NC[C@H]2CCCO2)ccc1O 883888 VQSUUBUHENNWAL-MRXNPFEDSA-N 367.449 4.005 0 3 FIAF CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2cccs2)cs1 61906773 POZPZPMVKQQMNI-OAHLLOKOSA-N 350.415 4.375 0 3 FIAF CC(C)C(=O)N[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 61946823 YJOHLCCYNVHKKI-AHIIVRHQSA-N 359.554 4.451 0 3 FIAF Cc1cccc(C(=O)Nc2nc3ncccn3c2-c2ccc(F)c(F)c2)c1 203466068 KIOKMOFBRFGXJS-UHFFFAOYSA-N 364.355 4.235 0 3 FIAF FC(F)(F)c1nc2c(OCCNCc3ccccc3)cc(Cl)cc2[nH]1 3926703 MMZIPJNBJQJCBM-UHFFFAOYSA-N 369.774 4.404 0 1 FIAF CC(C)CN1CCc2nc(-c3ccccc3)c3c(c2CC1)CO[C@H](C)C3 7991991 VVRAOCDAWWHKMB-QGZVFWFLSA-N 350.506 4.266 0 1 FIAF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](OC(C)=O)[C@]3(C)CC[C@@H]21 15204493 VQHQLBARMFAKSV-LILSUDLASA-N 356.462 4.400 0 1 FIAF Cc1ccc2nc(C)n(C3CCN(C(=O)Cc4ccccc4C)CC3)c2c1 22655477 JNLQMMPDSMUGQV-UHFFFAOYSA-N 361.489 4.368 0 1 FIAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1cc(-c2ccccc2)cs1 36176586 RSARQFHJBXZTLW-STZQEDGTSA-N 363.482 4.463 0 1 FIAF CCCCCc1cc(O)c(C/C=C(\C)CC[C@H](O)C(C)(C)O)c(O)c1 40835089 OWSPBIWYEIHDKZ-ULXKQSRTSA-N 350.499 4.231 0 1 FIAF CCOC(=O)c1cc(-c2cccc(OCc3ccc(F)c(F)c3)c2)on1 45258355 JIGVTNDMWJGCRX-UHFFFAOYSA-N 359.328 4.376 0 1 FIAF COc1cccc([C@@H](C)Nc2cc(-c3cc(F)ccc3OC)ncn2)c1 82162297 CLJMNACWOFEJGX-CYBMUJFWSA-N 353.397 4.473 0 1 FIAF O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1C[C@H]1CCCNC1 101668859 RPCSWDCGTNITFL-INIZCTEOSA-N 357.457 4.149 0 1 FIAF CCC[C@@H](Nc1cc(-c2ccc(O)c(OC)c2)ncn1)c1cccnc1 114819417 XSDJZQIMNVRCSN-MRXNPFEDSA-N 350.422 4.206 0 1 FIAF CCCCOc1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726082 IPCIWJQQUNQAEN-QZTJIDSGSA-N 364.470 4.097 0 1 FIAF Cc1nsc(C(C)(C)NC(=O)c2cccc(-c3cccc(Cl)c3)n2)n1 206690339 QNADUSWEPHYUOX-UHFFFAOYSA-N 372.881 4.227 0 1 FIAF CC(=O)N1c2cc(Br)c(F)c(Br)c2CC[C@H]1C 207451704 JIZMYYDDFFLMBW-ZCFIWIBFSA-N 365.040 4.038 0 1 FIAF CC(C)CN1CCc2cc(O)ccc2[C@H]1c1ccc(/C=C/C(=O)O)cc1 263620903 PRJBEVDNTURUGU-YHEXHBFFSA-N 351.446 4.094 0 1 FIAF in-vitro COc1ccc(-c2nc3sc(C)nn3c2-c2nc3ccccc3[nH]2)cc1 299856221 CJYZRYPCDPJXPH-UHFFFAOYSA-N 361.430 4.318 0 1 FIAF CCCn1cnc2cc(-c3nc4cc(F)cnc4[nH]3)cc(Br)c21 587004047 PAVRDEDONNFEEY-UHFFFAOYSA-N 374.217 4.286 0 1 FIAF COc1ccc(C)cc1NCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 587229572 ZBQIYPZRLZAAOQ-UHFFFAOYSA-N 364.371 4.338 0 1 FIAF COc1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)cc1 587436052 MSUUDZFMQUMSHJ-WZONZLPQSA-N 373.408 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4cccs4)n1)[C@@H](C2)C3=O 587453675 YIHHLXYDDDWWHC-APPDUMDISA-N 355.440 4.369 0 1 FIAF O=C(O)C[C@H]1CCc2occc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587536941 ZCOFJWRWUAJHJY-JLCFBVMHSA-N 366.413 4.056 0 1 FIAF CC(C)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C 587761408 BGBLKTLJCJHAGJ-BTDLBPIBSA-N 366.278 4.069 0 1 FIAF Cc1ncc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587851828 CUEGRWSUOFUJMF-ANRSDYALSA-N 355.276 4.151 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(F)(F)F 587865421 ZHIQPMPGLQEEER-UHFFFAOYSA-N 352.234 4.170 0 1 FIAF COc1cccc([C@H](C)Cc2nc3ccc(Br)c(O)c3[nH]2)c1 587931801 ODQUWZGXFHYNCF-SNVBAGLBSA-N 361.239 4.386 0 1 FIAF COc1ccc([C@H](O)[C@H](C)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587938209 ULCJHKWSNKJHEB-RMLUDKJBSA-N 352.221 4.110 0 1 FIAF CCOc1cc(-n2c(OC)ccc2OC(C)(C)C)c(Cl)cc1C(=O)O 587941807 SGVQETFVJPILOV-UHFFFAOYSA-N 367.829 4.414 0 1 FIAF C[C@]12CC[C@@H]3C4=C(CC[C@H]3C1=CC[C@@H]2C1=CC(=O)OC1)C[C@@H](OC=O)CC4 1772614828 SOBQFNJUENFMJC-QCEWRBEDSA-N 368.473 4.264 0 1 FIAF CN(Cc1ccccn1)C(=O)Cn1c(-c2cccs2)cc2ccccc21 1772658060 PUULXMCIENDJKJ-UHFFFAOYSA-N 361.470 4.423 0 1 FIAF Clc1cccc(C[C@@]2(COc3ccc(Cl)nc3)CCCNC2)c1 1857540410 YNIGZPCPZSOFJT-SFHVURJKSA-N 351.277 4.380 0 1 FIAF COc1cc(OC)c(OC)cc1/C=C/COC(=O)/C=C/c1ccc(F)cc1 1857550141 GFMYUMHQZHMOGX-OCJIRGAFSA-N 372.392 4.121 0 1 FIAF COc1ccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1O 2382233621 XGURSNFFSITBDH-UHFFFAOYSA-N 367.401 4.156 0 1 FIAF C[C@@H]1CCCN(C(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)C1 6771955 JOEPWNKHNANQRL-GFCCVEGCSA-N 357.454 4.313 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(CCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C 13491019 XCAGZFQBRONDCI-AFXVXQJMSA-N 363.501 4.211 0 1 FIAF O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(C(F)(F)F)ccc21 13817928 CELCJNIQYYQLHB-UHFFFAOYSA-N 350.321 4.035 0 1 FIAF O=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1ccccc1 28344545 AOCHDFWZHGQOFU-UHFFFAOYSA-N 360.388 4.151 0 1 FIAF CN(C)c1nnc(-c2cccc(-c3ccccc3)c2)n1-c1cccc(O)c1 36221919 LUUHHLNGWSPYFF-UHFFFAOYSA-N 356.429 4.373 0 1 FIAF O=C(CCCN1C[C@H]2C[C@@H]1CN2c1ccc(Cl)cc1)c1ccc(F)cc1 40409315 ILSADQLMJBGMFK-WOJBJXKFSA-N 372.871 4.405 0 1 FIAF COc1ccc(C(=O)c2cnc3ccccc3c2)cc1OC1CCOCC1 40849235 MSWWVIPSJKCDFV-UHFFFAOYSA-N 363.413 4.032 0 1 FIAF CCN(CC)c1cccc([C@H]2CC(=O)c3cc(OC)c(OC)cc3O2)c1 45352458 NUPRPNOEASPLJQ-GOSISDBHSA-N 355.434 4.257 0 1 FIAF CC[C@@H](CC(=O)NCc1ccc(F)cc1)n1c(N)nc2cc(Cl)ccc21 58576075 VMDUYCCEHALVOS-HNNXBMFYSA-N 374.847 4.069 0 1 FIAF N=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccccc1 95575566 FLCHBDWNXCUSMT-UHFFFAOYSA-N 351.281 4.110 0 1 FIAF O=C(Nc1ccnc(Nc2ncccn2)c1)c1c(Cl)cccc1Cl 96282842 RCULCNISCKTARC-UHFFFAOYSA-N 360.204 4.174 0 1 FIAF CCCCn1c(O)c2n(c1=O)[C@@H](c1ccccc1)c1[nH]c3ccccc3c1C2 169717778 JETUAPJRWQHIOG-NRFANRHFSA-N 373.456 4.179 0 1 FIAF CCN(C)Cc1cccc(Cc2oc3cc(OC)c(OC)cc3c2O)c1 169720551 YRKMCAMYKXHABW-UHFFFAOYSA-N 355.434 4.198 0 1 FIAF C[C@H]1c2[nH]c3cccc(Br)c3c2Cc2c(O)n(C)c(=S)n21 169729598 QNLFRWLMNJVIFU-ZETCQYMHSA-N 364.268 4.019 0 1 FIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@H]5[C@@H](C[C@H]32)[C@@]5(C)C4)[C@@]1(C)C(=O)O 238783404 ZOBJXIVCSCBWLR-RSHBKZCHSA-N 360.494 4.272 0 1 FIAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)C1 261191080 ZETKRQDDYKMOPO-APWZRJJASA-N 369.553 4.370 0 1 FIAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@@]2(C)CO 263638773 WZZRZMFFZNXNGP-TVAMVAPGSA-N 364.526 4.018 0 1 FIAF CCN(CC)C(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995122 FMVMDQDDVKRCSM-UHFFFAOYSA-N 358.441 4.166 0 1 FIAF Fc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2c(F)c1F 587006397 IVAQKIBVGUEMBW-UHFFFAOYSA-N 367.128 4.057 0 1 FIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccnc2[nH]1)c1cccc(Cl)c1 587071383 LVFFIKPXEGYAKT-OAHLLOKOSA-N 372.856 4.420 0 1 FIAF CCCOc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Br 587086087 RPZATTONMRFZJW-UHFFFAOYSA-N 367.634 4.225 0 1 FIAF COC(=O)C[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H]1C 587107745 USMOFLNVTNQAQI-STQMWFEESA-N 357.409 4.285 0 1 FIAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(Br)nc3[nH]2)c1F 587151771 IRBKEHLHPIYJAR-BDAKNGLRSA-N 350.166 4.270 0 1 FIAF COC(=O)[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587361812 BSBLKLJGEXNSQX-HNNXBMFYSA-N 359.381 4.469 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCC(=O)Cc1ccc(F)cc1)O2 587386572 ZYLZNGUFHCLIQM-KRWDZBQOSA-N 355.409 4.032 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4cccc(Cl)c4)c1)[C@@H](C2)C3=O 587422772 ZUSDUAAIBTYSHA-JXFKEZNVSA-N 366.804 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1Cc1ccccc1OC)[C@@H](C2)C3=O 587441187 FDEXMSDRQZRTJO-QSAZIKIQSA-N 364.441 4.233 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cnn(C)c3)c1)CC2=O 587480980 XBYFEHFGUHTEAL-NRFANRHFSA-N 362.429 4.452 0 1 FIAF Nc1cc(Br)cnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497133 KPDUSZSWMXANMJ-INIZCTEOSA-N 373.250 4.012 0 1 FIAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1C 587511870 SYWPWCQKPGTXSG-JOCHJYFZSA-N 351.446 4.345 0 1 FIAF COC(=O)/C=C/c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526117 RPCCHESEIRVAIH-CDDKBXLESA-N 362.425 4.458 0 1 FIAF CC1(C)SC(C)(C)C12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587618635 PBJCJUBVHHJOCU-OAHLLOKOSA-N 356.443 4.397 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2F)N1 587725732 RWFJDZIXKFEAKJ-PWJLMRLQSA-N 356.185 4.490 0 1 FIAF Cc1cc(N)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748484 XICXFXRLGGGUTH-BBATYDOGSA-N 363.274 4.277 0 1 FIAF CCOc1ccncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587775885 UOJAZBURAYATFP-BTDLBPIBSA-N 365.246 4.006 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccoc3c2)N1 587778544 MINYOLUWMXHVQE-XLFHBGCDSA-N 361.214 4.353 0 1 FIAF CC(C)COCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798085 XHUVUONDROFOSA-SJKOYZFVSA-N 358.295 4.400 0 1 FIAF CC(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587816422 XXPFJEBFBMTSNU-YPMLDQLKSA-N 362.242 4.414 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2)N1 587826300 AASPKCMUCASAIS-DYZYQPBXSA-N 350.231 4.092 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C=O)cs2)N1 587847871 MELMHKPQBIWPII-FVMDXXJSSA-N 368.271 4.260 0 1 FIAF CC[C@]1(Cc2ccccc2)c2cc(OC)ccc2CCN1CCCOC 961327965 VTTFZDBFQUSADD-QHCPKHFHSA-N 353.506 4.438 0 1 FIAF Cc1c(F)ccc2c1[C@](C[C@H](C)C(=O)O)(c1ccc(Cl)cc1)NCC2 962095842 XSPUBMXUIVMQPB-YUNKPMOVSA-N 361.844 4.288 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(C)n(CCOC)c2C)N1 962943282 GMOAHEHSGMSFHM-KKSFZXQISA-N 351.494 4.246 0 1 FIAF Cc1ccc(-c2cc3ccccc3n2CC(=O)NCc2ccccn2)s1 1772575332 RYDVHEGEODXHRQ-UHFFFAOYSA-N 361.470 4.390 0 1 FIAF Cc1cc(N)nc(CCc2cc(CC[C@@H]3CCCN3C)cc(F)c2F)c1 1857552114 DWIFPRVVASXUJK-SFHVURJKSA-N 359.464 4.062 0 1 FIAF COC(=O)c1ccc(-c2cccn3cc(-c4ccc(OC)cc4)nc23)cc1 1911580366 FXFULCSXLFFUBH-UHFFFAOYSA-N 358.397 4.464 0 1 FIAF COc1cc([C@H](C[C@@H](C)[C@H](C)CO)c2ccc(OC)c(OC)c2)ccc1O 2356394958 IIOUDXQFBYWNMG-RKVPGOIHSA-N 374.477 4.205 0 1 FIAF Cc1ccc(NC(=O)NC2(C(=O)NCc3ccccc3)CCCCC2)cc1 4965383 GJAHUJNQTCRODE-UHFFFAOYSA-N 365.477 4.136 0 3 FIAF COCOc1cccc(CN2CC[C@@](C)(Oc3ccc(SC)cc3)C2)c1 61904281 CQOIQQFMIULGFE-OAQYLSRUSA-N 373.518 4.435 0 3 FIAF COc1ccccc1NC(=O)Nc1nc([C@@H](N)Cc2ccccc2)cs1 61925583 LVKPYKHFSNBMAL-AWEZNQCLSA-N 368.462 4.038 0 3 FIAF COc1ccc([C@@](C)(O)c2nc(-c3ccc(N(C)C)cc3)cs2)cc1 61930909 RXZGZRPFYWUJAY-HXUWFJFHSA-N 354.475 4.141 0 3 FIAF CCCCCC(=O)OC[C@@]1(CO)C/C(=C/CC(C(C)C)C(C)C)C(=O)O1 5972989 BWJOJZPMFILAAD-OIOSCTRGSA-N 368.514 4.033 0 1 FIAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)c1c[nH]cn1 26983243 AQOMKZOLSRMOLZ-OMCWFXPWSA-N 354.494 4.129 0 1 FIAF O=C1CCN([C@@H]2CCCC[C@H]2OCC(c2ccccc2)c2ccccc2)C1 28653838 LDKPWNZVJCBMGW-DNQXCXABSA-N 363.501 4.421 0 1 FIAF CCCCSc1ccc2nc(-c3ccc(OCCOC)cc3)cn2n1 34462011 LFSHECLATXRART-UHFFFAOYSA-N 357.479 4.314 0 1 FIAF CCc1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccccc2)s1 82162802 BLLSAPUSCUXAFN-HNNXBMFYSA-N 366.490 4.420 0 1 FIAF COC1CCC2(CC1)Cc1ccc(-c3ccccc3)cc1[C@@]21N=C(C)C(N)=N1 169708746 BABSGYNDJJCRAD-BOYUCYPVSA-N 373.500 4.470 0 1 FIAF O[C@@H]1C[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2ccccc21 586901215 GCJDHOPWNIWAHJ-GXFFZTMASA-N 369.293 4.181 0 1 FIAF CCOC(=O)Cc1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587080427 MUISGAGDDTZFNA-UHFFFAOYSA-N 367.836 4.325 0 1 FIAF Sc1nc(S)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2n1 587083691 GMIVCEXEIFBRCE-UHFFFAOYSA-N 371.878 4.313 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2cc(C)cc(F)c2[nH]1)C(F)(F)F 587092923 OVCZCSVGCBDURL-KRWDZBQOSA-N 367.346 4.174 0 1 FIAF FC(F)(F)c1ccccc1Cc1nc2ccc(Br)nc2[nH]1 587097937 LRXYCYFBOHSEKT-UHFFFAOYSA-N 356.145 4.330 0 1 FIAF CCCc1nc(-c2nc3cc(F)c(OC)cc3[nH]2)nn1-c1ccccc1F 587156509 PEUYMGSIKLJQAA-UHFFFAOYSA-N 369.375 4.050 0 1 FIAF CC(C)(C)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587227951 DPVYXVZKMPDMHY-UHFFFAOYSA-N 351.450 4.329 0 1 FIAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CCC[C@H]2CC(C(=O)O)C1 587530885 WIRGNFMGHVVOST-OJLPUSQMSA-N 354.446 4.180 0 1 FIAF Cc1cccc(N)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578087 MBOKMHDCHWTGCU-KNQAVFIVSA-N 361.397 4.160 0 1 FIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587612625 MFIQVNBRUQGYMX-LPHOPBHVSA-N 354.383 4.165 0 1 FIAF Cc1cccc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn12 587776010 VKWWOUNEAZAGFM-MLCYQJTMSA-N 374.257 4.168 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CCCO[C@H]1C2(C)C 587841776 NZEPCYRIDVIHFB-IGMLBDDESA-N 368.290 4.153 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nccs1 587861735 UKTKRRRZBZWEIV-UHFFFAOYSA-N 368.245 4.401 0 1 FIAF COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccc(Cl)cc23)cn1 653786508 IGULYCZZYJLTKP-UHFFFAOYSA-N 371.824 4.101 0 1 FIAF C[C@]1([C@@H](N)Cc2ccccc2)c2ccsc2CCN1Cc1ccco1 962705920 GGBSXGOOBHGJLG-LEWJYISDSA-N 352.503 4.185 0 1 FIAF Cc1cc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(F)cc1F 962730361 NKGWXJMBRAWPIV-JKSUJKDBSA-N 355.306 4.008 0 1 FIAF Cc1cccc([C@]2(C3CCC3)NCCc3ccc(C(=O)N(C)C)cc32)c1C 962921745 DNIVADRLRIDBPK-DEOSSOPVSA-N 362.517 4.195 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(C)n(CCOC)c2C)N1 962943278 GMOAHEHSGMSFHM-IERDGZPVSA-N 351.494 4.246 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@@H](C(C)(C)Sc3ccccc3)c3cccc1c32 963027374 PZOCNASCBSQORY-JLTOFOAXSA-N 352.503 4.352 0 1 FIAF Cc1ccnc2c1CCN[C@]2(C)c1ccc(NC(=O)Oc2ccccc2)cc1 963083766 DMFCPEUXCRFKBZ-HSZRJFAPSA-N 373.456 4.410 0 1 FIAF CCCSc1nc(Sc2ccccn2)c2nnn(C3CCCC3)c2n1 1772579491 WCHDMLUVBAJIMK-UHFFFAOYSA-N 372.523 4.385 0 1 FIAF O=C(c1cc(Br)c(F)[nH]1)c1cc(Cl)cc(Cl)c1O 1772612372 OJINEBVBQGMEOP-UHFFFAOYSA-N 352.974 4.160 0 1 FIAF COc1cc(C(=O)c2cccc(-c3ccc(F)cc3)n2)cc(OC)c1OC 1857548258 BSFQHPKQHBJTHR-UHFFFAOYSA-N 367.376 4.145 0 1 FIAF C[C@H](NC(=O)Nc1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356305101 NFKAQRGWLRABPB-NSHDSACASA-N 369.352 4.062 0 1 FIAF CC1=C[C@H](CNCC2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356475866 SODGIEVEGGVQON-OTWHNJEPSA-N 352.526 4.355 0 1 FIAF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 3977845 VQHQLBARMFAKSV-TWGBQZSLSA-N 356.462 4.400 0 3 FIAF in-vitro CCOC(=O)[C@@H](C)N1C(=O)CS[C@@H]1c1cccc(Oc2ccccc2)c1 3639524 LGUROHQUYAYSDQ-AUUYWEPGSA-N 371.458 4.005 0 1 FIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ncoc2c1 3794816 IKOTVCMEUMRLQO-KRWDZBQOSA-N 350.462 4.431 0 1 FIAF O=C(Cc1ccccc1)[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 6574956 WMQZVPBCSRYHLI-OAQYLSRUSA-N 350.439 4.013 0 1 FIAF Cc1c(C(F)(F)F)nc(-c2ccccc2O)n(CCc2ccccc2)c1=O 28522484 YXSJWYIXYGYJNK-UHFFFAOYSA-N 374.362 4.186 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H]2CC[C@H]1O2 29338477 IWSCITFBDCQRGG-SXNJQZKASA-N 350.499 4.479 0 1 FIAF O=C(c1ccc(O)c([C@H](Cc2ccccc2)C(=O)O)c1)c1cccs1 29408327 JTBSOOIHMNZATA-INIZCTEOSA-N 352.411 4.096 0 1 FIAF CC[C@@H](C(=O)OCCN1CCO[C@@H](c2ccccc2)[C@@H]1C)c1ccccc1 31623377 BAQKJENAVQLANS-VLCRHTCISA-N 367.489 4.185 0 1 FIAF in-man O=C1C[C@]2(CCCc3ccccc32)OC(=O)[C@@H]1SCCc1ccccc1 58498165 GYQBSBLOVKEGNS-IRLDBZIGSA-N 366.482 4.079 0 1 FIAF CCCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc(F)cc2)n1 82140512 JAJRNVACZNIOAE-UHFFFAOYSA-N 370.472 4.367 0 1 FIAF CC(=O)Nc1cccc(-c2cc3c(s2)C2(CCCCC2)CNC3=O)c1 84617797 OTKLHQNJZBFUAF-UHFFFAOYSA-N 354.475 4.319 0 1 FIAF CCc1cc2c(s1)Nc1ccc(Cl)cc1C(N1CCN(C)CC1)=N2 101109546 NMOBWHHFBULJKX-UHFFFAOYSA-N 360.914 4.347 0 1 FIAF C[C@@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NC3CCC3)c2)c(F)c1 143617816 NILOYMWQFCYHHM-GFCCVEGCSA-N 357.381 4.322 0 1 FIAF CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 169359741 LZUOWUYBFWNJBN-MIDDJGGXSA-N 360.523 4.139 0 1 FIAF COc1nccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc12 586879530 JZLITQPHZQJGMX-UHFFFAOYSA-N 359.385 4.307 0 1 FIAF Oc1c(-c2nc3ccc(Br)c(O)c3[nH]2)ccc2c1CCCC2 586898130 MDKFJNJDQJXYRK-UHFFFAOYSA-N 359.223 4.282 0 1 FIAF OCCc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587040891 IYUNPDWNMUDFHB-UHFFFAOYSA-N 372.515 4.155 0 1 FIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(Cl)c4[nH]3)cc2N1 587125996 IQACSQGLARXCST-CPCISQLKSA-N 355.751 4.387 0 1 FIAF CO[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352997 KNRYTGRCPAJTJP-BSIFCXSSSA-N 356.393 4.218 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccc(F)cc3)c1C)O2 587383292 AOAJHQLAAZSZNJ-IBGZPJMESA-N 365.408 4.225 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1cscn1)O2 587414721 VEGIVPXVTGWKMQ-LJQANCHMSA-N 366.442 4.319 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(CSC(F)F)o1)[C@@H](C2)C3=O 587424667 RLIYVPAGXMUKCA-MEDUHNTESA-N 352.358 4.233 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3nnc(C)o3)cc1)CC2=O 587482859 KYWLMTXDQQNJTA-LJQANCHMSA-N 364.401 4.410 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCN(C)C)N1 587740441 JZOHJHPOWDJTPN-SJKOYZFVSA-N 357.311 4.070 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)n[nH]2)N1 587799791 YQLDXIDQBSAFGM-FVMDXXJSSA-N 366.278 4.232 0 1 FIAF CC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587850504 ZDYYZBBVPYSEBG-BCTVWOGZSA-N 368.271 4.476 0 1 FIAF CC[C@@]1(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC(=O)c2ccccc2C1 587960502 MBSGCALMHRCWGN-SFTDATJTSA-N 362.433 4.055 0 1 FIAF O=C(CCCCCN1CCOCC1)n1c2ccccc2c2ccccc21 653687425 DSZONEOEWRAHKV-UHFFFAOYSA-N 350.462 4.327 0 1 FIAF O=C1CCc2ccc(OCCCCCN3CCc4ccccc4C3)cc2N1 1772588035 MANGBYSAGCIUHY-UHFFFAOYSA-N 364.489 4.179 0 1 FIAF COc1ccc(-c2cn3c(-c4ccc5ncccc5c4)cnc3cn2)cn1 1857592483 RJZXZCBXILRACG-UHFFFAOYSA-N 353.385 4.015 0 1 FIAF CC=C(C)C(=O)O[C@@H]1c2occ(C)c2[C@]2(C)OC(=O)[C@@H]3CCC[C@H]1[C@]32C 2356681579 YVCVHGRNXPPDDG-VMYNMMNBSA-N 358.434 4.347 0 1 FIAF COc1cc(-c2cnc3cnc(-c4cccc(OC(C)C)c4)cn23)ccn1 2382220640 JJJHBGQJUPPIOO-UHFFFAOYSA-N 360.417 4.254 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H]2CO[C@@H](C2)[C@@H]1C/C=C\CCCC(=O)O 13525268 DJKDIKIDYDXHDD-WVDJAODQSA-N 350.499 4.336 0 1 FIAF O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)c1nnn[nH]1 13587155 XFGQQJXBCHSKTO-UHFFFAOYSA-N 350.422 4.079 0 1 FIAF CCOC(=O)C1=C[C@H]2[C@H](CC)CCN3CCc4c(n1c1ccccc41)[C@@H]23 27623766 VGAYLYPKNAGUGZ-CFLQYTFWSA-N 350.462 4.004 0 1 FIAF O=C1C[C@H](c2ccccc2)[C@H]([C@@H](O)c2cccs2)N1Cc1ccccc1 28460510 HXDRJISYNDIMMM-QIJUGHKUSA-N 363.482 4.366 0 1 FIAF CC(C)N[C@H](C)[C@@H](O)COc1ccccc1-c1nc2ccccc2s1 28766537 XLWHOSCPYSMBHS-PBHICJAKSA-N 356.491 4.090 0 1 FIAF O=C1CS[C@@H](c2ccc(Br)cc2)c2c(ccc3[nH]ncc23)N1 82158198 MTTOSYLPSRIGFY-INIZCTEOSA-N 374.263 4.100 0 1 FIAF COc1cc(C[C@H](C)[C@H](C)Cc2cc(O)c(OC)c(OC)c2)ccc1O 198047296 PNBXGHSKVPWUKU-UONOGXRCSA-N 360.450 4.181 0 1 FIAF COC(=O)C[C@@]1(C)CC[C@]2(O[C@H](CC(C)=O)[C@H]3C(C)(C)CCC[C@@]32C)O1 238738347 LBNHFUDEOMZNBR-FVJLHALJSA-N 366.498 4.025 0 1 FIAF O=S(=O)(/C=C\c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 586924665 STJYSXQCEMJVKM-SREVYHEPSA-N 353.230 4.314 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]([C@H]1CCOC1)CC3 586992824 YESKGZLUBJJOSU-KGLIPLIRSA-N 371.436 4.293 0 1 FIAF CC(C)Oc1cc2nc([C@@H](N)c3ccsc3)[nH]c2cc1Br 587026531 YZNUCTAUYMDHKF-AWEZNQCLSA-N 366.284 4.222 0 1 FIAF COc1cc(-c2nc3cc(Br)c(F)cc3[nH]2)cc(Cl)c1O 587046566 WEEJAVBHASUQBV-UHFFFAOYSA-N 371.593 4.499 0 1 FIAF COC(=O)c1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 587083966 FWSKLWQASGEQGR-UHFFFAOYSA-N 356.596 4.372 0 1 FIAF O=c1c(-c2nc3cc(F)c(F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170979 HNQSCYBVEFNQLP-UHFFFAOYSA-N 373.309 4.436 0 1 FIAF O=C(COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)N1CCCC1 587211201 BFIBKADXQJWWPM-UHFFFAOYSA-N 358.441 4.002 0 1 FIAF Fc1cnc(Cl)c2[nH]c(-c3cccnc3NCc3ccccc3)nc12 587229194 BKCQGQFZVLEVAR-UHFFFAOYSA-N 353.788 4.425 0 1 FIAF CCCC[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354678 OSAKHPAFYCPHSE-FPOVZHCZSA-N 356.393 4.408 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(=O)O)[nH]c3ccc(Cl)cc13)O2 587378872 FCNCVFKWAVEBPU-OAHLLOKOSA-N 370.792 4.117 0 1 FIAF COc1cc2c3c(c1)OC1(CCN(c4cccc(Cl)c4)CC1)[C@@H](C2)C3=O 587421226 ULPOAYVZIOYEJF-KRWDZBQOSA-N 369.848 4.135 0 1 FIAF O=C1C[C@@H](c2cncc3c(Cl)n[nH]c23)Oc2c1ccc1c2CCCC1 587497923 HNPRPOYZFGGOBH-INIZCTEOSA-N 353.809 4.197 0 1 FIAF O=C1C[C@](c2ccco2)([C@H](O)c2ccco2)Oc2c1ccc1c2CCCC1 587534799 YSPGGRISVHGIAL-YADHBBJMSA-N 364.397 4.346 0 1 FIAF CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C12CCC2 587601321 RZOJVNSRPYYMLH-FGSXEWAUSA-N 366.413 4.072 0 1 FIAF C[C@@]1(c2ncc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620351 YJORWRYNCHYNKY-KBXCAEBGSA-N 373.817 4.379 0 1 FIAF CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1ccccn1 587643272 CMUKIFIGBARIOL-CYBMUJFWSA-N 350.418 4.484 0 1 FIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(OC(C)C)ccc3[nH]2)cc1 587783811 ARBZUKKDSRJSPZ-SJORKVTESA-N 350.418 4.294 0 1 FIAF COC(=O)c1cccc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c12 587786090 HJGMESVWYXIMDT-UHFFFAOYSA-N 374.396 4.398 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c[nH]nc3c2)N1 587789929 BZXXCZSXEYGOHR-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF O=C(c1cc(-c2cccs2)[nH]n1)n1nc2cc1Oc1ccc(F)cc1-2 587876451 OZUYEOWSWQUJJI-UHFFFAOYSA-N 352.350 3.935 0 1 FIAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@]34CCCc3[nH]ccc34)C2)cc1 962640923 MLUZXPQDOWFRJW-OFVILXPXSA-N 369.512 4.342 0 1 FIAF O=C([C@H]1Cc2ccccc2[C@H](c2cc(F)cc3cccnc23)N1)C(F)(F)F 962764325 LORVEOWXGPWAIE-SJLPKXTDSA-N 374.337 4.109 0 1 FIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3c(cccc3OC(C)C)C2)cc1 1772649806 AIOXQXYWPBSIFN-QGZVFWFLSA-N 366.505 4.229 0 1 FIAF CCOc1ccc([C@@H]2C=CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 1857566317 OSQXHGLQFAWEIL-FQEVSTJZSA-N 357.475 4.086 0 1 FIAF O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c(Cl)c1 1857751308 VSWZZFZZRICMFP-UHFFFAOYSA-N 364.823 4.013 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(CO)=CC[C@@H]1C(C)(C)CCC[C@@]12C 2356520800 ZGAUBBFDXXEMAC-SEVLPDGMSA-N 350.499 4.012 0 1 FIAF COc1ccc2c(c1)[C@@](C)(Cc1ccc(C(=O)c3ccccc3)cc1)C(=O)N2 61908404 QSNSSISTTPZONT-XMMPIXPASA-N 371.436 4.379 0 3 FIAF COC(=O)c1ccc2nc(C(C)(C)C)c(Cc3ccc(OC)cc3C)n2c1 95599002 SFKXUZNHABLXNX-UHFFFAOYSA-N 366.461 4.326 0 3 FIAF CC[C@H]1CCCCN1C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 6939991 HDZPTEBXHYWBOD-KRWDZBQOSA-N 366.440 4.207 0 1 FIAF COc1cc2c(cc1OCc1ccccc1)CCN=C2c1ccccc1O 27559964 KKFUZDHREHOIOE-UHFFFAOYSA-N 359.425 4.373 0 1 FIAF CCOC(=O)[C@@H](Cc1csc(C)n1)Nc1nc2cc(C(C)C)ccc2o1 28012198 DQIKFGUXASBBNW-MRXNPFEDSA-N 373.478 4.302 0 1 FIAF O=C(/C=C/c1ccccc1)n1c(=O)oc2c3ncccc3c(Cl)cc21 28246961 KMNDXIQEDAFORF-CMDGGOBGSA-N 350.761 4.150 0 1 FIAF O=C(O)/C(=C/c1ccc(Oc2ccccc2)cc1)NC(=O)c1ccccc1 28520862 DJXASTXHZDJTTD-HKWRFOASSA-N 359.381 4.334 0 1 FIAF Cc1ccc([C@]2(Cn3ccnc3)OC[C@@H](c3ccccc3Cl)O2)cc1 28768391 NRXCPFBHZMFIAH-VQTJNVASSA-N 354.837 4.486 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cc2c[nH]c3ccc(F)cc23)c(C)c1 28820787 KMZYEWRESUBAFB-OAHLLOKOSA-N 374.481 4.142 0 1 FIAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(Oc3ccc(C)cc3)c(F)c21 40918409 JUNVMHBCFPPHTE-UHFFFAOYSA-N 359.328 4.099 0 1 FIAF COc1ncc(-c2cccnc2Oc2ccc(NC3=NCCC=C3)cc2)cn1 144961399 NKGYBWAYDRGODB-UHFFFAOYSA-N 373.416 4.110 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCSCC(=O)O 169338004 XSDONMUCMOXKHQ-SUDAMTHOSA-N 370.555 4.457 0 1 FIAF CC(=O)O[C@]1(C)/C=C/C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2[C@@H](O)C1 238759214 HXNTUGGXVUBGMN-AKNGMDTASA-N 364.526 4.015 0 1 FIAF CCCc1cc(-c2nc(-c3ccnc(OCCN(C)C)c3)cs2)ccn1 299830388 UYWOKOSXFASWRD-UHFFFAOYSA-N 368.506 4.160 0 1 FIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 587068558 CPFNATONSUQNKG-NSHDSACASA-N 356.809 4.364 0 1 FIAF OC1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCC(C(F)(F)F)CC1 587126861 NNXHSLYQFALPIC-UHFFFAOYSA-N 368.277 4.402 0 1 FIAF Fc1ccc2c(c1)C[C@@H](c1nc3ccc(F)c(Br)c3[nH]1)O2 587175545 ZPHGGXIVMONPRJ-LBPRGKRZSA-N 351.150 4.280 0 1 FIAF C[C@@H](O)[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503649 WFMITRWCZSQSFG-LRTDBIEQSA-N 356.849 4.460 0 1 FIAF O=C1C[C@@H](c2cnc(-c3ccccn3)nc2)Oc2c1ccc1c2CCCC1 587513194 BDOZEQPCKIQNCN-FQEVSTJZSA-N 357.413 4.124 0 1 FIAF Cc1[nH]c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C(=O)O 587524134 JHCBNBNPRKAWQX-NRFANRHFSA-N 353.418 4.089 0 1 FIAF C[C@@H](Oc1ccc(-c2ccccc2)cc1)c1ccc2c(O)nc(O)nc2n1 587553484 BTCWSOONVZLSHX-CYBMUJFWSA-N 359.385 4.243 0 1 FIAF CCOC1=C[C@]2(CCC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593492 DUPZBGSKMCQJBZ-NQIIRXRSSA-N 352.386 4.197 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nc[nH]c3c2)N1 587800117 ABVZDVCWVMQQBN-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF CCCN=c1nc2[nH]c3c(c(-c4ccc(OC)cc4)c-2s1)CCCC3 1857563627 LXURLNAMFRYPCN-UHFFFAOYSA-N 353.491 4.441 0 1 FIAF Fc1ccc(N2CCN(CCCCOc3ccc4c(c3)CCC4)CC2)cc1 26499175 KFVXGGNVNRNGGZ-UHFFFAOYSA-N 368.496 4.296 0 1 FIAF CCc1ccc2[nH]c3c(c2c1)CCN[C@H]3Cc1ccc(OC)c(OC)c1 26674945 YOHPOVHPYWXEQR-IBGZPJMESA-N 350.462 4.177 0 1 FIAF CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC(CO)CO 33842184 ZCCLDKGWJIREQF-IUQGRGSQSA-N 352.515 4.472 0 1 FIAF in-vitro Clc1ccc(C2=NN[C@H](c3ccc(Cl)cc3)[C@H]2n2ccnc2)cc1 40380435 QOOVSOKVOXFZNX-SJLPKXTDSA-N 357.244 4.480 0 1 FIAF COc1ccc(-c2ccc(C(=O)[C@@H]3CN=C4C=C(C)C=CN4C3)cc2)cc1 49808483 NEAQPXGHTCRNQY-HXUWFJFHSA-N 358.441 4.349 0 1 FIAF COc1cccc([C@@H](C)NC(=O)c2sc(-c3ccncc3)nc2C)c1 63540326 ASMBMGMEQLFISS-GFCCVEGCSA-N 353.447 4.013 0 1 FIAF COc1ccc(-c2noc(Nc3ccc(CN4CCCCC4)cc3)n2)cc1 71928079 QHAYWZKQHXOQNC-UHFFFAOYSA-N 364.449 4.475 0 1 FIAF CN[C@H]1CC[C@@H](N2CCc3cc(F)c(NC(=N)c4cccs4)cc32)CC1 101472644 ZVTIPOSGDMUXPC-SHTZXODSSA-N 372.513 4.218 0 1 FIAF O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](Oc2ccc(F)cc2)C1 103251174 CSSXFCMIJIHVOO-AWEZNQCLSA-N 369.314 4.200 0 1 FIAF CC(C)c1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1 117586695 YOLIWOLYXILWFM-UHFFFAOYSA-N 367.493 4.321 0 1 FIAF Cc1nn(C)c(C)c1-c1cccc2c1-c1ccccc1[C@]2(O)C(F)(F)F 144891419 PVRMYQXVOUIGCU-LJQANCHMSA-N 358.363 4.483 0 1 FIAF CN1C(=O)CCc2c(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cccc21 169704955 LROUIROOTPZFRQ-DLBZAZTESA-N 363.461 4.053 0 1 FIAF CC(C)[C@@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F)[C@@H](C)O 204414763 VGVBWBRPZZTQOQ-KZULUSFZSA-N 370.390 4.402 0 1 FIAF CC(=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005917 ZLGYUMVQFLTEJG-UHFFFAOYSA-N 350.603 4.243 0 1 FIAF O[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)c1ccccc1Cl 587057739 DJARWSSWXCUVBG-LLVKDONJSA-N 373.037 4.109 0 1 FIAF O=C(/C=C\c1nc2cc(Br)cc(F)c2[nH]1)Nc1ccccc1 587244067 KZOWEABVOKVXPY-SREVYHEPSA-N 360.186 4.116 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCn3cccc32)[C@@H]1c1ccc(F)cc1 587336116 JBFAKDHAJDMYJZ-IRLDBZIGSA-N 363.388 4.381 0 1 FIAF CCCOc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@@H](C)C2 587411888 LLUAQDXUVVOGSS-ZSEKCTLFSA-N 367.445 4.396 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)(F)F)cc1C)[C@@H](C2)C3=O 587420653 GMGYTDMAEDHSFX-KBXCAEBGSA-N 364.319 4.391 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(C1CCCCC1)CC2=O 587476891 BJCVZZBFEMAXKT-OAQYLSRUSA-N 360.450 4.192 0 1 FIAF CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)C1 587524372 NGLRRWLESLRZAM-GZWGPKMKSA-N 356.462 4.269 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)C1CC1 587586948 MELSDNKMWWBYOP-KNQAVFIVSA-N 359.381 4.054 0 1 FIAF O=C(Cc1ccsc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662394 ZPZYNUKMYAHTMP-UHFFFAOYSA-N 364.401 4.147 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c3ncccc23)N1 587759502 UGJSDFDMLAUJNR-DYZYQPBXSA-N 374.257 4.099 0 1 FIAF Cc1cc2c([nH]1)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587801069 CZUPOISMOGKJPT-VOJFVSQTSA-N 363.274 4.339 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2CC2)(C2CC2)N1 587815974 RXCFHEAYQAROPP-YPMLDQLKSA-N 366.274 4.097 0 1 FIAF Fc1ccc2c(c1)-c1cc(n(-c3ncnc4sc5c(c34)CCC5)n1)O2 587875266 CIWWHYKWAONEQM-UHFFFAOYSA-N 350.378 4.278 0 1 FIAF CCOc1cc(C=O)c(OCC)n1-c1ccc(O)c(-c2ccccc2)c1 587925518 JDFRAYFOKGRDMM-UHFFFAOYSA-N 351.402 4.460 0 1 FIAF COc1ccc(C[C@H](C)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1OC 587926142 IWYMMOPGNCMQMS-QMMMGPOBSA-N 368.330 4.483 0 1 FIAF O=C(NCc1ccccc1Cl)c1ccc2[nH]nc(-c3ccncc3)c2c1 653849857 ANAUUYFWVFDXFS-UHFFFAOYSA-N 362.820 4.208 0 1 FIAF CCOC(=O)CC[C@@]1(c2ccccc2C)NCCc2c1sc(C)c2C 963009198 KTHFTQUSKPPPQO-NRFANRHFSA-N 357.519 4.406 0 1 FIAF CC(C)Oc1ccc(CC[C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963023928 JCJYXWNAZRKXDQ-PXNSSMCTSA-N 364.489 4.201 0 1 FIAF COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3c2ccc(OC)cc2)cc1 1857655927 JEAPPFRTYMXSOT-UHFFFAOYSA-N 359.381 4.232 0 1 FIAF O=C(Nc1ccccc1)OCC1CCN(C2Cc3ccccc3C2)CC1 2382257432 TVXNBKDMGAGSDZ-UHFFFAOYSA-N 350.462 4.115 0 1 FIAF Cc1ccc(C2(c3noc(CN(C)Cc4cccnc4)n3)CCCC2)cc1 59946131 PNNVLCCXSWLXKY-UHFFFAOYSA-N 362.477 4.265 0 3 FIAF CC[C@H]1CN(C(=O)Nc2ccccc2)CC[C@H]1CC(=O)Nc1nccs1 6137843 NUNVCDFYQSKZTK-GJZGRUSLSA-N 372.494 4.052 0 1 FIAF biogenic COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO)c(C(C)(C)C)c1 7992105 LVONHWRLBWQDCP-ILWGZMRPSA-N 368.473 4.429 0 1 FIAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27425475 YRTQKPWOTFXIJI-VOKBRHSJSA-N 358.478 4.296 0 1 FIAF COc1ccc([C@@]2(Cn3ccnc3)OC[C@H](c3ccc(Cl)cc3)O2)cc1 28767723 DIHFXLARMUCKOT-UXHICEINSA-N 370.836 4.186 0 1 FIAF CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(SC(F)(F)F)cc1 38841173 JXTJEINNTZXCBD-AWEZNQCLSA-N 374.428 4.418 0 1 FIAF CCCCC(=O)NC(=S)Nc1nc2cc(Br)ccc2s1 49784933 OCQQSEIVGAWTCV-UHFFFAOYSA-N 372.313 4.062 0 1 FIAF O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1CCc1ccccc1 66124579 QHCMEGFPUGYGGL-JOCHJYFZSA-N 363.844 4.232 0 1 FIAF Cc1ccccc1NC(=O)Nc1nn(-c2ccccc2)c(=O)c2ccccc12 71318495 OKMDBSPBAOTPSL-UHFFFAOYSA-N 370.412 4.338 0 1 FIAF CN1C(=N)N[C@@](c2cccc(-c3cc(Cl)cc(Cl)c3)c2)(C2CC2)C1=O 84602000 JOMOYZHFIMBZBT-LJQANCHMSA-N 374.271 4.262 0 1 FIAF OC1C[C@@H]2CC[C@@H](C1)N2CCOC(c1ccc(F)cc1)c1ccc(F)cc1 104676549 LFAYUMBLJCKKFH-PMACEKPBSA-N 373.443 4.059 0 1 FIAF COc1cc2sc(-c3c(-c4ccccc4F)n[nH]c3N)nc2cc1F 114397894 YMZGLBIKIDCVFV-UHFFFAOYSA-N 358.373 4.222 0 1 FIAF CCCCCOc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1 116194528 RAMGEBXRKHKRND-HXUWFJFHSA-N 364.449 4.403 0 1 FIAF C[C@H]1CCCN(c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)C1 116232304 ZRGDEEHQBXOIQU-ZDUSSCGKSA-N 365.408 4.370 0 1 FIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc3[nH]ccc3c2)n1 142092278 HDCYDYFBUDMHJR-SUMWQHHRSA-N 365.437 4.112 0 1 FIAF COc1ccc2nc(N3CCCCC3)nc(NCc3ccc(F)cc3)c2c1 299820410 BGWGSQPFQCEXQP-UHFFFAOYSA-N 366.440 4.380 0 1 FIAF CC(C)C[C@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586900302 DAYQFTMHMWDZGL-VIFPVBQESA-N 367.165 4.304 0 1 FIAF COC(=O)c1cc2[nH]c([C@H](C)SCc3ccccc3)nc2cc1OC 586963398 MRHMFUSGEMBMBL-LBPRGKRZSA-N 356.447 4.353 0 1 FIAF COC(=O)[C@H]1CCCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993600 YJNJUFOWZUZKPI-HNNXBMFYSA-N 373.408 4.135 0 1 FIAF COc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(Cl)n1 587083841 OHEIUDHJIIBBKK-UHFFFAOYSA-N 374.025 4.098 0 1 FIAF COc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)c(Cl)n1 587084242 VBZSZRGRYHMKKC-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF Cc1nc2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2cc1Br 587095538 JMXVGVPWCPTQTM-UHFFFAOYSA-N 371.160 4.297 0 1 FIAF O=C(N[C@H](c1ccccc1)c1nc2cc(F)cc(F)c2[nH]1)c1ccccc1 587220417 RYJGKZLXLFYZFX-GOSISDBHSA-N 363.367 4.361 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccc(F)cc4)s1)[C@@H](C2)C3=O 587427946 KISZOHOWMQZXGZ-LIRRHRJNSA-N 367.401 4.447 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1cccnc1)[C@@H](C2)C3=O 587436345 OENYAFUJIBHJAU-FDDCHVKYSA-N 373.408 4.158 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3nnc(C)o3)cc1)CC2=O 587482858 KYWLMTXDQQNJTA-IBGZPJMESA-N 364.401 4.410 0 1 FIAF O=C1C[C@H](c2cnc(O)c(Br)c2)Oc2c1ccc1c2CCCC1 587495225 BRKKSWAGRUUOMH-MRXNPFEDSA-N 374.234 4.135 0 1 FIAF C[C@H](O)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587524963 MTWJSRCMPRRQKV-PSLXWICFSA-N 361.441 4.288 0 1 FIAF C/C=C(\Br)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587669560 FBAHBTLXPYOWNE-UYODNHTMSA-N 363.068 4.462 0 1 FIAF COCCC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 587793565 NPNZDDRMASKUHY-BZNIZROVSA-N 356.279 4.370 0 1 FIAF COC1(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 587812032 OWTHZPBKCOTSAC-BZNIZROVSA-N 356.279 4.297 0 1 FIAF CC(=O)C12CC([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)(C1)C2 587815344 LSLAGTDDJFRLNK-OXVFACKSSA-N 366.274 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)C[C@@]3(C)O[C@@H]23)N1 587837606 JDKODYWVLSHIBY-ONUGHKICSA-N 368.290 4.295 0 1 FIAF Cc1c(F)ccc2c1[C@@H](C[C@H]1CC[C@@H]([C@H]3NC(=O)OC3(C)C)CC1)NCC2 962297529 JSHNDQGKAUBOSN-IHMNZUQTSA-N 374.500 4.404 0 1 FIAF CC(C)Cn1ccnc1[C@@H]1c2ccsc2CCN1Cc1cccn1C 962373458 MHNAXHIHPWVIBK-IBGZPJMESA-N 354.523 4.087 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@@]2(C1)NCCc1cccc(-c3ccccc3)c12 962673460 XBPLORVCUONCTP-QHCPKHFHSA-N 364.489 4.335 0 1 FIAF Cc1cn(CCC(=O)O)c(C)c1[C@@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963100720 CKPMTMXFYZTDFJ-PGRDOPGGSA-N 370.468 4.003 0 1 FIAF Brc1ccc(Cn2nnc3c(Br)cccc32)cc1 1857610914 RARGGPQWYWKKGN-UHFFFAOYSA-N 367.044 4.005 0 1 FIAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CCCC[C@@H](O)C=C2 1857621858 RDUZQLUQTGZOSA-MRXNPFEDSA-N 356.418 4.302 0 1 FIAF CCOc1ccccc1NC(=O)CSc1c[nH]c2c(OC)cccc12 2382238975 ZLFCWGUZDXIIOY-UHFFFAOYSA-N 356.447 4.306 0 1 FIAF Cc1nc2c(cc1NC(=O)c1ccccc1)nc(C)n2Cc1ccccc1 12481492 BLCPAPSSRHHCNF-UHFFFAOYSA-N 356.429 4.349 0 3 FIAF CN(C)C[C@@H]1C[C@H]2c3cccc(C(F)(F)F)c3Cc3ccccc3N2O1 13437159 MMEQHMVQEKIHIG-LIRRHRJNSA-N 362.395 4.423 0 1 FIAF COc1cccc(NC(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)c1 13684881 GKCBYQDOKZXTMJ-GOSISDBHSA-N 361.873 4.163 0 1 FIAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2cccs2)O[C@@H]1c1cccnc1 13740457 TZGFTCJPPBRFFT-BDTAUHQASA-N 359.447 4.357 0 1 FIAF C/C=C/c1cc(OC)cc(O[C@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)c1 14762036 HEOFBSZBJUOVBA-MWSVELABSA-N 358.434 4.246 0 1 FIAF CN1CC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)[C@H](F)C1 34806268 LFGOMVLDONMIGT-XJKSGUPXSA-N 356.470 4.424 0 1 FIAF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 38895814 SGGGMRQESKILIB-WWYMACMNSA-N 370.489 4.466 0 1 FIAF Cc1ccc2c(c1)[n+](=O)c(C(=O)Nc1ccccc1)c(-c1ccccc1)n2O 64510488 MMIMCLQFXZSJLK-UHFFFAOYSA-O 372.404 4.021 0 1 FIAF COc1ccc(Cl)cc1CSc1nc2ccccc2n1CC(=O)O 84654047 FYKOXCPKWFGHSN-UHFFFAOYSA-N 362.838 4.075 0 1 FIAF COc1cccc2c1CC[C@@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620736 OVPZCOIKWJRELI-GHTZIAJQSA-N 360.457 4.288 0 1 FIAF O=C1CS[C@@H](c2cc3ccccc3nc2S)N1c1ccc(F)cc1 103175749 PGTUWQLMUUMYLR-SFHVURJKSA-N 356.447 4.441 0 1 FIAF Cc1cccc(/C=C/C(=O)Oc2cc(CCc3ccccc3)oc(=O)c2)c1 103278654 BXZTUUDGCYLSEU-ACCUITESSA-N 360.409 4.352 0 1 FIAF C[C@]1(O)CC[C@H](Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1 113134799 HQBDNWLHCUWEJY-RHDGDCLCSA-N 356.857 4.155 0 1 FIAF COc1c(C(=O)CC(=O)c2ccc(O)cc2)ccc(O)c1CC=C(C)C 149615523 VXWKOHGZGNPTQE-UHFFFAOYSA-N 354.402 4.071 0 1 FIAF O=C(CCCCCCC[C@H](O)c1ccccc1)c1c(O)cc(O)cc1O 473117986 JLDJEUAXJKQYEX-KRWDZBQOSA-N 358.434 4.450 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)Cc1ccc(O)cc1C3 586992019 RSYFCTHOWOSMSL-UHFFFAOYSA-N 365.388 4.352 0 1 FIAF Fc1c(Cl)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1F 587040572 IAIDGTIYOFUAEU-OLZOCXBDSA-N 365.836 4.441 0 1 FIAF Cc1noc([C@H]2CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)n1 587106214 MAXVGLMIEGQCQT-INIZCTEOSA-N 353.381 4.216 0 1 FIAF Cc1cc(F)c2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2c1 587142895 PRLVPSBLKKDZSA-ZDUSSCGKSA-N 366.209 4.155 0 1 FIAF C[C@@]1(Cc2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334486 FFTNUVZBCPAGSV-IRLDBZIGSA-N 363.388 4.287 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc(Br)c1F)O2 587383001 WRRBFNVGDAIDLF-CYBMUJFWSA-N 368.177 4.324 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccccc1)(c1ccccc1)O2 587405022 IOKQPALVODRRDU-HSZRJFAPSA-N 357.409 4.321 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccnc4ccc(Cl)cc14)[C@@H](C2)C3=O 587423090 UBBNOBHZKOYZHE-MGPUTAFESA-N 351.789 4.386 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3[nH]c(O)cc3c1)CC2=O 587482792 JIKOFKCKOHKTMC-OAQYLSRUSA-N 351.402 4.412 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(F)cc1O 587559607 XVCUYHSVFHOVED-YLJYHZDGSA-N 370.307 4.079 0 1 FIAF Cc1c(Br)cc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1C 587566264 CYGCVBNRUVBMSY-UHFFFAOYSA-N 373.250 4.376 0 1 FIAF Cc1c[nH]c2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589718 QHAMQONJCNCNPU-KNQAVFIVSA-N 361.397 4.222 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnccc2Cl)N1 587693106 CQSXBVDYZPIUNR-VXJOIVPMSA-N 355.638 4.260 0 1 FIAF CCn1cccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755746 QJPSFNVVFJTKBY-PIGZYNQJSA-N 351.263 4.207 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(C2CC2)N1 587773718 RMWAJPOLHATWPJ-VOJFVSQTSA-N 361.258 4.171 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3o2)N1 587779115 QGUDVZMYUOAWQX-ABKXIKBNSA-N 361.214 4.353 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 587826082 GHLMVQVUCIZPMY-WLBIBMPGSA-N 366.274 4.097 0 1 FIAF C[C@@]1(c2ccns2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962948430 AWVLAPDKVPJAHY-INIZCTEOSA-N 368.424 4.077 0 1 FIAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H](C)[C@]3(OC(=O)C4=C3CCC=C4)[C@H]21 2356367878 JRMOXPFUUJPSHB-IMDACWRGSA-N 352.430 4.142 0 1 FIAF CC1=CCC2=C(C)[C@](O)(C(C)C)C[C@@H]2[C@H](OC(=O)c2ccc(O)cc2)C1 2356500889 FSOJCBVIWZXKTJ-TUNNFDKTSA-N 356.462 4.381 0 1 FIAF CO[C@@H]1C=C(CCC[C@H](C)C=C[C@H]2C(C)(C)CCC[C@]2(C)O)C(=O)O1 2356578118 GDBZCCRSKXSHMI-DBSRCYSRSA-N 350.499 4.382 0 1 FIAF CC(C)=CC[C@@H](O)C(C)=CC=CC(C)=C[C@](C)(O)CC=CC=CC(=O)O 2356685673 AJIPQLGQGAHQQV-IFMALSPDSA-N 360.494 4.491 0 1 FIAF C[C@H](NC(=O)[C@@]1(C)CON=C1c1ccc(Cl)cc1)c1ccc(F)cc1 768753 ANMJFWKBHAFJRW-BUXKBTBVSA-N 360.816 4.097 0 1 FIAF C[C@H]1CC(=O)c2c(c3c(c4c5c(c(=O)oc24)CCCC5)OC(C)(C)C=C3)O1 29132882 PMHXOFOJJSQABO-NSHDSACASA-N 366.413 4.210 0 1 FIAF COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 45302923 OBEXOFONJDJASX-UHFFFAOYSA-N 374.444 4.324 0 1 FIAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2ccccc2c1=O 45392397 OBGQXKXUFQHOCB-UHFFFAOYSA-N 355.393 4.415 0 1 FIAF COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cn1 64426935 QIEUMSLIZIBCSF-UHFFFAOYSA-N 372.428 4.322 0 1 FIAF FCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 73161565 YFYQVXWMNGBWTJ-UHFFFAOYSA-N 368.452 4.099 0 1 FIAF O=C(NCc1ccccc1)[C@@H]1CCCN1c1nc(-c2ccccc2)cs1 82192013 OMIZIZIKUDCZMF-IBGZPJMESA-N 363.486 4.095 0 1 FIAF CCC(=O)N(c1ccccc1)C1CCN(CCCOc2ccccc2)CC1 98084728 UMSJIWDKTWLOTG-UHFFFAOYSA-N 366.505 4.363 0 1 FIAF Cc1ccc2c(c1)nc(CCc1nc(C)c3ncccn13)n2-c1ccccc1 98209601 VOYXDWSUNQJWTO-UHFFFAOYSA-N 367.456 4.470 0 1 FIAF in-vitro CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cnc2ccccc2c1 116231617 KSFBFGMTIZTXTJ-UHFFFAOYSA-N 372.428 4.388 0 1 FIAF COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1C(C)(C)[C@@H](O)CC[C@@]12C 238785139 HKWVZPQQUZNBOF-JPKZGUTDSA-N 350.499 4.011 0 1 FIAF C[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 248133125 ZKZLQVNOLBJHFM-QWQRMKEZSA-N 360.523 4.150 0 1 FIAF Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(=O)O 254134626 LLUUJFCLTHSCSX-SHTZXODSSA-N 368.433 4.207 0 1 FIAF CCCn1cnc2cc(-c3nc4cnccc4[nH]3)cc(Br)c21 587003245 HUMWIZAMEFMGPQ-UHFFFAOYSA-N 356.227 4.147 0 1 FIAF Clc1cnc(Cl)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 587042613 ULBGKHZVUWDGBQ-RYUDHWBXSA-N 365.289 4.211 0 1 FIAF CC(=O)N[C@@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 587205609 DCQXEAMJMSFGFR-INIZCTEOSA-N 361.367 4.310 0 1 FIAF CC(C)c1cc2c(O)nc(O)nc2nc1Cc1ccc(Cl)cc1Cl 587369304 ZPEMYDBSCBJXCZ-UHFFFAOYSA-N 364.232 4.457 0 1 FIAF COCCn1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587389698 IMJYQLWMQLZXQE-JOCHJYFZSA-N 364.445 4.059 0 1 FIAF CC[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 587393020 FOVCKQJKDQVGRW-QKKBWIMNSA-N 374.481 4.091 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1scc(Br)c1C)O2 587408433 BSXBJNCCNBIRSJ-ZDUSSCGKSA-N 352.253 4.416 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccncc4)ccc1OC)[C@@H](C2)C3=O 587436371 OXZCRECYSCKBPK-FDDCHVKYSA-N 373.408 4.255 0 1 FIAF CCOC(=O)C[C@@]1(CC2CCCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443516 VVOSAIGUSUGGRS-VGOFRKELSA-N 372.461 4.105 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccccc1F)CC2=O 587466237 JSYDCVRQADOGFQ-NRFANRHFSA-N 371.408 4.237 0 1 FIAF C[C@]1(CCCCCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603365 MUVPTWKNZOOPIU-GHTZIAJQSA-N 370.401 4.148 0 1 FIAF COC(=O)c1cccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)c1 587631469 NBRGSTMNPUISAT-UHFFFAOYSA-N 360.772 4.308 0 1 FIAF CCOc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587855396 VKBMWLKYLGLYAQ-RMLUDKJBSA-N 371.275 4.067 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cccc(C(F)(F)F)n1 587870475 ABSTWOBRZOWOPE-UHFFFAOYSA-N 351.303 4.491 0 1 FIAF COc1cccc([C@@]2(CNC(C)C)c3ccc(F)cc3C[C@H]3CCCN32)c1 963097548 FTRVVCCJTDKWFS-OFNKIYASSA-N 368.496 4.096 0 1 FIAF COCCCOc1ccc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963104110 HCXZHYAYDAFMTN-UGKGYDQZSA-N 355.453 4.351 0 1 FIAF O=C(O)c1cccc(CSc2nc(O)c(Cl)c(-c3ccccc3)n2)c1 1772630585 GEVZOEWVDMHSHC-UHFFFAOYSA-N 372.833 4.493 0 1 FIAF Cn1ccc2cc(-c3cn4c(-c5ccc(CO)cc5)cnc4cn3)ccc21 1857599694 LKGGELUCFBYIDO-UHFFFAOYSA-N 354.413 4.047 0 1 FIAF COc1ccc([C@@H](C)Nc2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1 1857630669 ODJTYSRQAXYBFD-HUUCEWRRSA-N 365.477 4.202 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4206750 WVMBXRADAGOVKS-IEBWSBKVSA-N 356.853 4.348 0 1 FIAF CCCCCC(=O)N1CC[C@@H](CC(=O)NC2CCCCC2)[C@@H](CC)C1 5414006 YUSNJYZODMBBNA-ROUUACIJSA-N 350.547 4.280 0 1 FIAF biogenic CCc1nc(C)cn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651141 MHOAPVUFAWZGPR-HXUWFJFHSA-N 360.457 4.056 0 1 FIAF CCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)OCO2 13761402 MZTNNINIUDDLHI-SFHVURJKSA-N 367.489 4.408 0 1 FIAF CSc1cc2n(c1C(=O)c1ccc(C(F)(F)F)cc1)CC[C@H]2C(=O)O 28225961 GKDHKWUKNZQSRT-LLVKDONJSA-N 369.364 4.032 0 1 FIAF O=C1Nc2c(ccc(Cl)c2F)C1(c1ccc(O)cc1)c1ccc(O)cc1 28884550 HVMOAXFDEMGLCD-UHFFFAOYSA-N 369.779 4.177 0 1 FIAF CCOC(=O)c1[nH]c(Br)c(-c2ccccc2)c1Br 29124494 GYMQVLUZTPYJJA-UHFFFAOYSA-N 373.044 4.383 0 1 FIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1)c1ccco1 35259294 ZCWCUTAJPXUIDD-HNNXBMFYSA-N 374.713 4.040 0 1 FIAF O=C(NCC1CCNCC1)c1ccc(Cl)cc1-c1cccc(Cl)c1 49035779 IDWYPVOJEMXSSX-UHFFFAOYSA-N 363.288 4.390 0 1 FIAF CCN1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)CC1 49111939 ARTZDEVJPRRYHR-UHFFFAOYSA-N 373.447 4.165 0 1 FIAF CC(C)c1cccnc1CN(CCCCN)[C@@H]1CCCc2cccnc21 66077025 BJSHYURXVFLUKD-OAQYLSRUSA-N 352.526 4.219 0 1 FIAF Cc1ccc(CC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)cc1 71316519 MPYYVRZSIGYJMC-UHFFFAOYSA-N 367.474 4.055 0 1 FIAF CCCCCNC(=N)c1ccc(N2CCN(c3ccccc3)CC2)cc1 73197801 WKEHGNCQOFESDR-UHFFFAOYSA-N 350.510 4.118 0 1 FIAF Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(O)nc(O)c32)cc1 104109564 JZDXGYHOSBSUNH-CQSZACIVSA-N 351.406 4.046 0 1 FIAF Clc1ccc(N2CC[C@@H]3CC[C@@H](C2)N3Cc2c[nH]c3ncccc23)cc1 169369395 UPZQTOBGZYRXMC-OALUTQOASA-N 366.896 4.460 0 1 FIAF O=C(NCc1ccc(Oc2ccccc2)cc1)[C@@H]1CCOc2ncccc21 205617127 ZTYMSNJZLMPYMB-LJQANCHMSA-N 360.413 4.056 0 1 FIAF CC(C)=Cc1ccc2[nH]nc(-c3cc(N4C[C@H](C)O[C@H](C)C4)ncn3)c2c1 225557655 BGFRQIOQNGWYRH-GASCZTMLSA-N 363.465 4.057 0 1 FIAF CCc1c(CC(=O)C2CC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990388 CUXSOKIJYFBHNF-UHFFFAOYSA-N 357.409 4.236 0 1 FIAF O[C@H](c1ccc(Br)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586996135 ACMSQQRDKMIHPD-LLVKDONJSA-N 373.037 4.109 0 1 FIAF Cc1c(-c2nc3cccc(Cl)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073538 JRGZYHYFAWDAKD-UHFFFAOYSA-N 358.232 4.485 0 1 FIAF COc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1F 587090924 BTPVJALYVRWTQT-UHFFFAOYSA-N 357.332 4.427 0 1 FIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587114049 QKJZWPBQBWGNHH-JTQLQIEISA-N 374.288 4.238 0 1 FIAF O=C(/C=C\c1nc2cccc(OC(F)(F)F)c2[nH]1)Nc1ccc(F)cc1 587166977 LQXXDXDIFWCWIB-HJWRWDBZSA-N 365.286 4.253 0 1 FIAF Cc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2n1 587185179 YPRNFCUXJLECEG-VURMDHGXSA-N 361.186 4.041 0 1 FIAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccccc2[nH]1 587231353 QGWXLJUEEHKOKS-UHFFFAOYSA-N 372.428 4.452 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c(C(=O)O)csc31)CC2=O 587492507 AIJUMLCDFZJODO-HXUWFJFHSA-N 372.442 4.301 0 1 FIAF CSc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587533722 VCZROGBTHVIFGT-NRFANRHFSA-N 365.454 4.100 0 1 FIAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587725859 SBYOKRCSBUMQSP-XYZCENFISA-N 368.221 4.360 0 1 FIAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 587770919 KPAYQJUUXSFENN-KPZWWZAWSA-N 363.274 4.398 0 1 FIAF CCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587775096 ZAQRHQZMRRHUCQ-QGHHPUGFSA-N 365.246 4.006 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(C)(C)CC(=O)O)N1 587820504 AFCPEILLZBXBAS-DYZYQPBXSA-N 372.278 4.229 0 1 FIAF CCC1(CC)OC[C@H]([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)O1 587838046 ABTHOQARKGUFTA-AMKSKSKJSA-N 372.278 4.095 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Cl)s2)N1 587851837 CUSKCERHXXKWSX-PWCHPLFNSA-N 361.667 4.322 0 1 FIAF COc1ccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1OC 587927694 SOZJESLUCIRJFE-UHFFFAOYSA-N 352.312 4.070 0 1 FIAF CCOC(=O)[C@@H]1CCCC[C@]12c1ccsc1CCN2Cc1cccn1C 962398736 NWVDFNXANUCUFL-RXVVDRJESA-N 372.534 4.094 0 1 FIAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)NCCc2cccc(-c3ccccc3)c21 962666172 LFSGKEQHDKBNBI-CJAUYULYSA-N 372.512 4.359 0 1 FIAF COC(C)(C)CCC[C@H](C)C[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962892981 HUTFYSYPMCAZTI-KKXDTOCCSA-N 351.462 4.087 0 1 FIAF O=C(c1ccccc1Br)[C@H]1NCCc2cccc(Cl)c21 963389553 BLCMABJUYYCTGC-HNNXBMFYSA-N 350.643 4.172 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)[C@@H](C)Oc1cccc(F)c1 963635649 NILCMRIFBUSXEJ-QTCYRWPVSA-N 359.441 4.060 0 1 FIAF CNc1cc(Oc2ccc(NC(=O)Nc3ccc(C)cc3)cc2F)ncn1 1772606844 VGDZXPXCTTZIHZ-UHFFFAOYSA-N 367.384 4.402 0 1 FIAF COc1ccc(-c2cc(O)c(-c3ccc(OC)cc3)c(OC)c2O)cc1 1857560774 WTQXFVHSADHUNH-UHFFFAOYSA-N 352.386 4.458 0 1 FIAF COC(=O)c1ccc(OCc2oc(-c3ccccc3OC)nc2C)cc1 1857762156 SRSMLFMLORSOQO-UHFFFAOYSA-N 353.374 4.024 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC=C3C(=O)OC[C@H]3[C@]21C 2356805771 ZWZMTHHYZPZYFQ-FDNYNCRQSA-N 360.494 4.280 0 1 FIAF COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C 61921185 PSLJJDUINUJBME-FXAWDEMLSA-N 363.457 4.059 0 3 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4c5nonc5CC[C@]4(C)[C@@H]3CC[C@]12C 5811777 BAZMQTKNLZZEHX-WXNWAMOESA-N 358.482 4.274 0 1 FIAF COc1cccc(C(=O)NC2(C(=O)c3ccc(F)c(C)c3)CCCC2)c1C 27527125 HCHCCUBGCCUPBD-UHFFFAOYSA-N 369.436 4.377 0 1 FIAF O=C(O)c1c[nH]c2cc(OCCc3ccc4ccccc4c3)ccc2c1=O 27709289 MYWULTHJAQBIKL-UHFFFAOYSA-N 359.381 4.001 0 1 FIAF CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1C[C@@H](C)C2 28707895 PMKPDYRYHRNWDL-LLVKDONJSA-N 362.520 4.279 0 1 FIAF CN(C)Cc1ccc(-c2cc3c(-c4cnn(C)c4)c(Cl)cnc3[nH]2)cc1 49072633 QWJHWNIFEWOQTF-UHFFFAOYSA-N 365.868 4.345 0 1 FIAF Clc1ccc(-c2nc(CNCCCN3CCCC3)co2)c(Cl)c1 72185771 YBAKWKVMFOTIFB-UHFFFAOYSA-N 354.281 4.224 0 1 FIAF Cc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccccc2)sc1C 82162808 PMZAMZLUDLYCEW-MRXNPFEDSA-N 366.490 4.475 0 1 FIAF CCOC(=O)c1c(S[C@H]2C[C@@H](C)C[C@@H](C)C2)c(CC)c(C)[nH]c1=O 101710571 QTEHFTCRZUDSBL-DABQJJPHSA-N 351.512 4.339 0 1 FIAF OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 102187004 GJFCEMOCWVYDKT-IYXKLDSJSA-N 364.570 4.405 0 1 FIAF O=c1c2cnc3cccc(OCc4ccccc4)c3c2[nH]n1-c1ccccc1 141796280 RNYCHGPSWCHYCU-UHFFFAOYSA-N 367.408 4.446 0 1 FIAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cnncc2[nH]1 586981784 DZDAFQQAHWWCRP-CYBMUJFWSA-N 359.271 4.488 0 1 FIAF Cc1nccc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 586985754 RFKXXHQNRKMKPV-KRWDZBQOSA-N 371.282 4.214 0 1 FIAF Fc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2c(F)c1F 587007806 RXFVKTGOVFSJBR-UHFFFAOYSA-N 367.128 4.057 0 1 FIAF Ic1cccc2[nH]c(-c3cc4c(s3)CCC4)nc12 587037323 SZRSHDRBGWAFMC-UHFFFAOYSA-N 366.227 4.385 0 1 FIAF Clc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c(Cl)n1 587038616 AZEPJNIZCWOLBH-AAEUAGOBSA-N 365.289 4.211 0 1 FIAF COc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Cl 587157323 SMOHFHYDHBWRJM-GOSISDBHSA-N 359.788 4.155 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)c3ccc(N(C)C)cc3)nc2c1 587196839 YPFIQFCCJWLJSM-NSHDSACASA-N 357.841 4.221 0 1 FIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587374965 ARUDXKIZZRIZFD-MRXNPFEDSA-N 362.223 4.055 0 1 FIAF Cc1cc(C)c(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587388080 VQIPIGVQGGHZFM-QFIPXVFZSA-N 366.461 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(F)c[nH]c3nccc1-3)CC2=O 587473198 YKZAMSNPMMSWKA-FQEVSTJZSA-N 354.381 4.192 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(F)cc1F 587569608 RJLBFZRUWMNDDR-OALUTQOASA-N 368.335 4.243 0 1 FIAF CN(C)/C=C\[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573902 VFJDKFHNCWLQTC-BNFRBJOKSA-N 367.445 4.214 0 1 FIAF C[C@]1(c2cc(C=O)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613847 PKFRARQZWCQDSF-FXAWDEMLSA-N 366.394 4.143 0 1 FIAF CS(=O)(=O)c1ccc2[nH]c(C3CCOCC3)c(-c3ccc(F)cc3)c2c1 587650312 JGYXSOUZVSJCQK-UHFFFAOYSA-N 373.449 4.272 0 1 FIAF Cc1ccccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659770 CTLTUXRUVMJYDG-UHFFFAOYSA-N 358.372 4.200 0 1 FIAF CCn1cnc(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587705265 LYAXPZVWBHDYQT-OQPBUACISA-N 372.669 4.082 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C(F)F)N1 587719357 QFLLBJAKMSVBLT-RTHLEPHNSA-N 359.189 4.408 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(F)c2)N1 587725865 SFOWSAGCOBGQEG-PWJLMRLQSA-N 356.185 4.490 0 1 FIAF CCCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793989 NRPBADOGWAEMIP-GTNSWQLSSA-N 372.278 4.071 0 1 FIAF O=C(c1ccc(Br)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873198 VUFCOACCPWVWAU-UHFFFAOYSA-N 359.154 4.246 0 1 FIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC)cc(OC)c2[nH]1 587933949 BAOISSNGMRWWOX-UHFFFAOYSA-N 350.418 4.161 0 1 FIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 587952379 PSSHJYYZBVPULE-DEYYWGMASA-N 364.511 4.403 0 1 FIAF CC[C@@]1(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)CC(=O)c2ccccc2C1 587962629 YCZBBUKCTKLFGF-SFHVURJKSA-N 374.366 4.091 0 1 FIAF COc1ccc2c(c1)[C@@](C)(c1cnc(Cl)nc1Cl)N(C(C)C)CC2 962092030 ORGMBYLVNSZNTI-SFHVURJKSA-N 366.292 4.322 0 1 FIAF O=Cc1ccccc1Oc1ccc([C@H]2NCCc3nc4ccccn4c32)cc1 962983200 BDUSZSOFXYIDSO-JOCHJYFZSA-N 369.424 4.174 0 1 FIAF Cc1cc(Nc2cc(Cl)cc(-c3ccc(N(C)C)cc3)c2)nc(N)n1 1772581235 RTQKZBIDBVONQT-UHFFFAOYSA-N 353.857 4.497 0 1 FIAF COc1ccc(CCC2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 1489200 WTXTWORPIIDVMW-UHFFFAOYSA-N 360.409 4.416 0 1 FIAF C[C@H](C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F 10450432 WMZBNGJPHYBACH-SNVBAGLBSA-N 368.767 4.125 0 1 FIAF CCCN(CCC)[C@H]1CCn2c(ccc2C(=O)C(Cl)(Cl)Cl)C1 13642154 DXJBLNLSLUGVEL-LBPRGKRZSA-N 365.732 4.478 0 1 FIAF Cc1ccccc1C(OCCN1CCC[C@H](C(=O)O)C1)c1ccccc1C 13827992 MFSPCMMBQXBBDX-IBGZPJMESA-N 367.489 4.206 0 1 FIAF COc1cc(C[C@H](C)[C@@H](C)Cc2cc(OC)c(O)c(OC)c2)ccc1O 14646472 GFMUBOWRQZASFJ-KBPBESRZSA-N 360.450 4.181 0 1 FIAF biogenic COc1c(O)cc(O)c(-c2coc3cc(O)ccc3c2=O)c1CC=C(C)C 14762957 CFMMELZRMVWLJB-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF biogenic NC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 26005422 WAYHLMCBGBNUES-HSZRJFAPSA-N 367.452 4.332 0 1 FIAF CC1(C)C=Cc2c(ccc3c2OC[C@H]2c4cc5c(cc4O[C@@H]32)OCO5)O1 28871431 PAAJONLTKBLVPE-XOBRGWDASA-N 350.370 4.209 0 1 FIAF biogenic O=c1[nH]c(CNc2ccccc2O)nc2c1sc1ccc(Cl)cc12 45286705 LYZZPEGRDNPLAU-UHFFFAOYSA-N 357.822 4.109 0 1 FIAF CCOc1ccc2c(C)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1 45364203 TTXNEDWTMSHCMC-UHFFFAOYSA-N 370.401 4.397 0 1 FIAF CSCC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49055355 FXTTTZOHXWRXTQ-MRXNPFEDSA-N 374.289 4.471 0 1 FIAF Sc1nnc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)o1 73139387 YCRSIAMBLFQPNZ-OAHLLOKOSA-N 356.838 4.367 0 1 FIAF COc1cc(OC)cc(-c2cc3c(Nc4ccncc4)nccc3n2C)c1 74387074 HPTGHHFGSPKQCA-UHFFFAOYSA-N 360.417 4.396 0 1 FIAF Clc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 96169006 MHHGRHAFAYUDDQ-UHFFFAOYSA-N 373.884 4.072 0 1 FIAF CCCc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1 117590116 JLAQPTBKJHTSTI-UHFFFAOYSA-N 367.493 4.150 0 1 FIAF CC(=O)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)O)CC[C@@]32O)C1 118921402 ZDWIKYATNSEKOF-VUNXJAPYSA-N 362.554 4.346 0 1 FIAF CC[C@H](C)CNCC(=O)N1CCc2sccc2[C@@H]1c1cccc(C)c1 149069601 WELBRTWQUYGMIQ-BTYIYWSLSA-N 356.535 4.166 0 1 FIAF COC(=O)[C@H]1[C@H](c2ccc(-c3ccccc3OC)cc2)C[C@H]2CC[C@H]1N2C 253695630 CCWOTPZOCKHRAQ-KHHDVDEJSA-N 365.473 4.102 0 1 FIAF Oc1c(Br)ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586887577 VCMBZYUHHDDJTK-SGTLLEGYSA-N 355.235 4.403 0 1 FIAF O=Cc1ccc(OCc2occc2-c2nc3c(Cl)ccnc3[nH]2)cc1 586901672 WRQYRSKZGFFVED-UHFFFAOYSA-N 353.765 4.263 0 1 FIAF O[C@H]1C[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)c2ccccc21 586905031 XMMHRXUXZBNOQM-CABZTGNLSA-N 365.177 4.173 0 1 FIAF COc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1C 587124122 LSWVUZRWFSETRV-YMTOWFKASA-N 365.359 4.051 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2CCO)[C@@H]1c1ccc(F)cc1 587352656 LOGCNAHORFVRLX-GNSUPJDDSA-N 370.420 4.202 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(F)cc1Br)O2 587383062 XCHJVJYYYTXHJY-HNNXBMFYSA-N 368.177 4.324 0 1 FIAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587422919 RGCYCTAHNRSWRJ-ARZLJQGISA-N 369.848 4.067 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(F)cc1Cl)[C@@H](C2)C3=O 587424697 SHXACVIPMVBTGD-BBATYDOGSA-N 350.748 4.290 0 1 FIAF CC1(C)Cc2nc(O)ccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587521550 BNGAEEWQAGYBIY-QHCPKHFHSA-N 363.457 4.499 0 1 FIAF CCCc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587525000 MZQZUCBAQIGMOE-HSZRJFAPSA-N 361.441 4.331 0 1 FIAF CCCCN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587771118 VOXNKPMRRKQXBV-CYBMUJFWSA-N 369.322 4.214 0 1 FIAF CC(C)[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587774269 VFUQTSNKVYOERS-KZULUSFZSA-N 363.274 4.417 0 1 FIAF CCOc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1C 587777629 CHQYTHKHZDFVHD-UHFFFAOYSA-N 356.735 4.351 0 1 FIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587807716 LVWCNXACJNPRGA-VOJFVSQTSA-N 364.258 4.395 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(OC(C)(C)C)C2)N1 587812698 RKJRVVKVACPZBY-JJMSQDNMSA-N 356.279 4.295 0 1 FIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587952571 TZJIOBCFYWPHOV-XEZPLFJOSA-N 360.454 4.405 0 1 FIAF COc1ccc(F)cc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772632029 WCDCXNRZCNHBCS-MRXNPFEDSA-N 359.328 4.235 0 1 FIAF COc1ccc(CNC(=O)N/C=C/c2ccc(C(C)(C)C)cc2)cc1OC 1857646912 GZPRPUPLDMFXNC-OUKQBFOZSA-N 368.477 4.471 0 1 FIAF CCCCCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@H]1CC=CCCC(=O)O1 2356457010 ZMCHHZFBGBLCJE-HGJUEJDCSA-N 362.510 4.079 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H]2CC(CCCCC(=O)O)=C[C@@H]2C[C@H]1O 5820958 JANVYOZZTKSZGN-XTJNFZKPSA-N 350.499 4.072 0 1 FIAF CCc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 13553807 SVPOUDMQXLHKRC-UHFFFAOYSA-N 352.482 4.122 0 1 FIAF CC(C)(C)c1cc(/C=C2\CCCNS2(=O)=O)cc(C(C)(C)C)c1O 13558289 XDTPNKNOAUFACN-GXDHUFHOSA-N 351.512 4.041 0 1 FIAF Cc1ccc2c(C)nc(N3CCC[C@@H](NCc4ccsc4)CC3)nc2c1 15005505 AXKGBMPQKKPENR-GOSISDBHSA-N 366.534 4.457 0 1 FIAF CCCCNC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(C)cc1 40617106 JCYSDBKVHHZLNV-IBGZPJMESA-N 351.494 4.494 0 1 FIAF COc1cc([C@H]2CC(=O)c3ccc(O)cc3O2)cc(CCC(C)C)c1O 95486048 XZHAZHRCVXNUJR-GOSISDBHSA-N 356.418 4.402 0 1 FIAF biogenic,in-vitro Cc1ccoc1CN(C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccccc1 101151894 BGECMWFZHVFBGB-ROUUACIJSA-N 354.450 4.356 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2CC[C@H](O2)[C@H]1C/C=C\CCCC(=O)O 101197667 IWSCITFBDCQRGG-GXKUOJRISA-N 350.499 4.479 0 1 FIAF Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CCCC2)c(F)c1 114957939 FRRILKWWNUMNAE-UHFFFAOYSA-N 367.762 4.217 0 1 FIAF Cc1cnc2[nH]cc(Cc3ccc(NCc4ccnc(F)c4)nc3F)c2c1 117429936 WVCIKWIWVGCIOM-UHFFFAOYSA-N 365.387 4.142 0 1 FIAF COc1cc2oc(Cc3cccc(CN4CCCC4)c3)c(O)c2cc1OC 169720554 XCVVNWKNPBYBCL-UHFFFAOYSA-N 367.445 4.342 0 1 FIAF Cc1nc2c(s1)[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)CCC2 220875833 HXIVYRNTUJCKBN-LBPRGKRZSA-N 355.290 4.495 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc1-2 586883449 JTPGIPHHFMKKQT-MLPKBAJKSA-N 356.779 4.445 0 1 FIAF COc1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914478 QXHLWVUQDHTSIX-UHFFFAOYSA-N 360.369 4.340 0 1 FIAF CC(C)(Oc1ccc(Br)cc1)c1nc2nc(Cl)c[nH]c-2n1 586994819 AEBFZRZDRLFANM-UHFFFAOYSA-N 367.634 4.035 0 1 FIAF Cc1cc(Br)c2[nH]c([C@H](O)c3ccccc3Cl)nc2c1 587060026 YOLFWQTWGSDMQR-CQSZACIVSA-N 351.631 4.369 0 1 FIAF C[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)n1cc(Cl)cn1 587079868 OQTZBHSVWAPZQH-YFKPBYRVSA-N 361.577 4.063 0 1 FIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587094205 MQLIPNVRNHTZKV-ZCFIWIBFSA-N 371.306 4.304 0 1 FIAF CC(C)(C)OC(=O)[C@@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106770 NXHYSCRVYQQGIT-OAHLLOKOSA-N 357.409 4.428 0 1 FIAF Cc1ccnc2[nH]c(/C=C/c3cccc(I)c3)nc12 587183991 NBCXGTPPCRPQID-AATRIKPKSA-N 361.186 4.041 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@H]2c3nc4cccc5c4c(c3CC[C@@H]21)CC5 587211498 FWZDAPQOEYAUGP-AEFFLSMTSA-N 350.462 4.373 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc3cn[nH]c3cc2[nH]1)C1CCCC1 587225857 NDHSFXRMQWUMHH-MRXNPFEDSA-N 355.442 4.195 0 1 FIAF CC(=O)NC1(c2nc3cc(Br)cc(C)c3[nH]2)CCC(C)CC1 587233825 DVDUXYDKEHCRTM-UHFFFAOYSA-N 364.287 4.175 0 1 FIAF N=c1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c2ccccc2[nH]1 587253161 BHQDURVJTXULKZ-UHFFFAOYSA-N 366.428 4.022 0 1 FIAF CC(C)[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356554 KDKQJUZEUDOSFE-JAXLGGSGSA-N 370.420 4.464 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O 587420273 HLVSDBOTKIQDFV-VBKZILBWSA-N 358.821 4.106 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1O)[C@@H](C2)C3=O 587448546 DWIFLBHQTQGNLD-MBSDFSHPSA-N 358.393 4.092 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1-n1cccn1)CC2=O 587465193 AVUQFNRNUCRRSL-HXUWFJFHSA-N 366.392 4.376 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CC[C@H](C(=O)OCC)CC1)CC2=O 587479311 HNOGUBVXZYALLX-PJIJBLCYSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cncnc1)CC2=O 587487045 CVNVCKFVQGTOSF-JOCHJYFZSA-N 360.413 4.044 0 1 FIAF COC(=O)c1ccc(OC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523558 KFZWPUFIGWCXIP-FQEVSTJZSA-N 366.413 4.067 0 1 FIAF CCOC(=O)c1csc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587536643 YHPOZOHMZZPLGQ-FQEVSTJZSA-N 371.458 4.079 0 1 FIAF C[C@@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555203 ZGNGAPICPPXTQJ-JXFKEZNVSA-N 367.788 4.318 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(F)cc1O 587559606 XVCUYHSVFHOVED-XLIONFOSSA-N 370.307 4.079 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)ccc12 587573513 ZDUMCKGVTNZIQZ-SIKLNZKXSA-N 362.356 4.335 0 1 FIAF CCCn1nc(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587763046 HOPVEOGWWGCZPW-DYZYQPBXSA-N 366.278 4.127 0 1 FIAF Cc1nccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587804614 RUEFTEOIQTYQQK-LZVRBXCZSA-N 374.257 4.397 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CC[C@@H]1CCCN1C 587866491 LRBGZEMTAIDWAT-INIZCTEOSA-N 367.415 4.452 0 1 FIAF Cc1ccc(-n2ncc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2C)cc1 587875782 MTIKIKVTXUFMSB-UHFFFAOYSA-N 374.375 4.286 0 1 FIAF O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@@H]1c1cccs1 653681816 XOEWAGGFKMWDPJ-QGZVFWFLSA-N 351.427 4.494 0 1 FIAF CCOc1cccc(-c2cn3c(-c4ccc(O)c(OC)c4)cnc3cn2)c1 653684785 ZYUBWPRVHUCWGS-UHFFFAOYSA-N 361.401 4.176 0 1 FIAF O=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(c2ccc(F)cc2)CC1 653782728 ICOFBCKSBQDSQV-UHFFFAOYSA-N 365.412 4.022 0 1 FIAF COc1cccc2c1[C@]1(CC2)NC2(CC2)Cc2ccc(Br)cc21 961617330 UUVSTTSTLSGIAO-HXUWFJFHSA-N 370.290 4.326 0 1 FIAF Fc1cccc2c1[C@@H](c1cccnc1OCC(F)(F)F)N1CCC[C@@H]1C2 963095088 CGAMAZJKQUWBNP-CXAGYDPISA-N 366.358 4.272 0 1 FIAF COc1ccc2c(=O)c([C@@H]3c4c(F)cccc4C[C@H]4CCCN43)coc2c1 963099290 JLMFZPMGEVOHFE-SPLOXXLWSA-N 365.404 4.051 0 1 FIAF O=C(Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1 1911577926 KOEFDCGGZRTDLG-UHFFFAOYSA-N 352.340 4.469 0 1 FIAF COc1cc(C(=O)O)nc(-c2csc(CCCCC(C)C)n2)c1OC 2356447056 KDIFCWROCKYQLA-UHFFFAOYSA-N 364.467 4.289 0 1 FIAF COc1ccc(C[C@H]2COc3cc4c(c(O)c3C2=O)C=CC(C)(C)O4)cc1 2356679468 WHASMSGSLODBRS-AWEZNQCLSA-N 366.413 4.019 0 1 FIAF CN1CCN(c2cc3c(c4c2[nH]c2ccccc24)C(=O)CC(C)(C)C3)CC1 1506765 BGNRXAIMMGLBAV-UHFFFAOYSA-N 361.489 4.228 0 3 FIAF aggregator Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC[C@@H]2C=CCC2)c1 6521919 OPPVYMRCOSOQGC-QGZVFWFLSA-N 368.477 4.425 0 1 FIAF CCCCOC(=O)[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21 13518421 ZLUXGTDOBRFUDW-ICAREGITSA-N 372.505 4.179 0 1 FIAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCSCCO)[C@H]1CCC2=O 14947049 LOCLCSLEASYCPR-GKJHBJHPSA-N 374.546 4.103 0 1 FIAF CCC[S@@](=O)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1 28219331 OLUQMEFGVCJLPL-SANMLTNESA-N 370.474 4.279 0 1 FIAF Oc1ccc2nc(-c3cc(F)c(O)c(F)c3)cc(Br)c2c1 28528546 ARUPPRMAGGCRJE-UHFFFAOYSA-N 352.134 4.354 0 1 FIAF COc1ccc([C@@H]2CN3CCC[C@H]3c3cc(OC)c(OC)cc32)cc1OC 29235629 UFPPIPCPTGUPGA-ROUUACIJSA-N 369.461 4.003 0 1 FIAF O=S(=O)(Nc1nc2cc(Cl)ccc2o1)c1ccc2ccccc2c1 34804173 WJRXIFVYQNHGBI-UHFFFAOYSA-N 358.806 4.435 0 1 FIAF COc1ccc2cc(-c3cccc(N(C)C)c3)cc(CCNC(C)=O)c2c1 40916159 YRYMDLWIIIPERP-UHFFFAOYSA-N 362.473 4.260 0 1 FIAF in-vitro O=C(c1ccccc1)c1nc2sc3c(c2c2n[nH]c(=S)n12)CCCC3 40954263 GMMHHWMHOBJULX-UHFFFAOYSA-N 366.471 4.111 0 1 FIAF CC(C)(O)c1ccc2c(c1)NC(=O)c1ccc(Nc3ccncc3)cc1N2 42988828 WJRCSUVKRQODKT-UHFFFAOYSA-N 360.417 4.362 0 1 FIAF Oc1cc(Cl)ccc1C(=S)NCc1ccc(Br)cc1 58494306 PZWFJXVDGGZVLL-UHFFFAOYSA-N 356.672 4.273 0 1 FIAF Cc1cc(C(N)=O)nn1-c1cccc(-c2cccc(F)c2C(F)(F)F)c1 58582628 TYKLSPLAAZSURN-UHFFFAOYSA-N 363.314 4.105 0 1 FIAF COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(F)cc2)n1 82164120 TZNMHHOEHNXYHP-UHFFFAOYSA-N 372.469 4.471 0 1 FIAF Clc1cc(COCC2(c3ccccc3)CCNCC2)cc(Cl)n1 95587580 MVKSYUFMIAFXLU-UHFFFAOYSA-N 351.277 4.226 0 1 FIAF CN1CCN(c2ccc(C3CC3)cc2NC(=O)c2ccccc2Cl)CC1 95588153 VBVCNJXTZLDSHA-UHFFFAOYSA-N 369.896 4.222 0 1 FIAF O=C(C1CCC1)N1CC[C@@H]2[C@H]1c1cc(C3=CCCCC3)ccc1N[C@H]2CO 95667995 QALZOEWRLMFCQS-NYVOZVTQSA-N 366.505 4.120 0 1 FIAF COc1c(C)c(CCCCCCCCCC[S@@](C)=O)oc(=O)c1OC 96085907 CNSMFTLWDBUIIS-VWLOTQADSA-N 372.527 4.007 0 1 FIAF biogenic,in-vitro COC(=O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077910 ZIOGDQBJXCATRE-GOSISDBHSA-N 369.852 4.340 0 1 FIAF Fc1cc(Br)ccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587142525 DGYHKZODZQTOAX-UHFFFAOYSA-N 371.112 4.453 0 1 FIAF Cc1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br 587166467 CYIIFOCANSXAMV-SREVYHEPSA-N 374.213 4.425 0 1 FIAF CC(C)Oc1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175053 PBAZPMGXGZDXBV-INIZCTEOSA-N 352.413 4.213 0 1 FIAF Cc1c2c(nc3ccc(I)cc13)-c1c(N)cccc1C2 587213380 QWSIWCMCFMATFD-UHFFFAOYSA-N 372.209 4.301 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O 587418821 AVBMTJXKGKJTPY-KSSFIOAISA-N 364.319 4.257 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(Cc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587424050 WSGLMPWOLKYDNN-HNAYVOBHSA-N 362.347 4.463 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(C)c1OC)CC2=O 587476905 GSIBZGUJJMALOV-LJQANCHMSA-N 356.418 4.377 0 1 FIAF O=C1C[C@@](Cc2ccccn2)(c2cccnc2)Oc2c1ccc1c2CCCC1 587516397 WTHMYPDJRPORTA-DEOSSOPVSA-N 370.452 4.459 0 1 FIAF O=C(O)C[C@H]1CCc2occc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587536942 ZCOFJWRWUAJHJY-PEBXRYMYSA-N 366.413 4.056 0 1 FIAF CNc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587745940 XTSVDRVZGYYUDL-ADLMAVQZSA-N 363.274 4.428 0 1 FIAF CCc1cnccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587772669 FVBSWNPFOSNYCE-ADLMAVQZSA-N 363.274 4.343 0 1 FIAF CCO[C@@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 587813977 XAKTYNLFXVOAOT-OMPKRAJASA-N 368.290 4.297 0 1 FIAF CCCC[C@H](CO)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587820154 AGOCSHHRMLZNFJ-NDGTYSDOSA-N 358.295 4.136 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)C(=O)C2)N1 587823277 OVMSWGPDTQGIIS-BMLIUANNSA-N 354.263 4.097 0 1 FIAF Cc1cc(O)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587834804 SZJJRSRSOUEMOL-BMLIUANNSA-N 350.231 4.226 0 1 FIAF Cc1nc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1C 587850444 DULXQDYWJICYBV-PWJLMRLQSA-N 369.303 4.459 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(Cl)n2)N1 587851703 ISDYCNXDPITPHI-PWCHPLFNSA-N 361.667 4.322 0 1 FIAF COc1ccc(CCCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1OC 587926703 NKETUDKNKYEKQD-UHFFFAOYSA-N 366.248 4.457 0 1 FIAF COc1c(Cc2ccccc2)cc(O)n1-c1c(N)cccc1Br 587935850 FSIAPXSXSPYQRY-UHFFFAOYSA-N 373.250 4.127 0 1 FIAF COC(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1OC 587968963 XFRIAEFDEKNSAO-UHFFFAOYSA-N 352.434 4.198 0 1 FIAF Cc1sc2c(c1C)CCN[C@]2(CC(=O)c1ccccc1O)c1ccco1 963011389 PQUMSFSVEXTQQU-OAQYLSRUSA-N 367.470 4.326 0 1 FIAF Cc1ccnc2c1CCN[C@@]2(CCCCCC(=O)O)c1cc(F)ccc1F 963070699 PXJHKLDWMRYKPN-NRFANRHFSA-N 374.431 4.093 0 1 FIAF S=C(NCC12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3 1857752194 YCZIJEDMBZWWJY-UHFFFAOYSA-N 358.595 4.492 0 1 FIAF O=C(Nc1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1 1857767124 AOQXXTWKWNQUCU-UHFFFAOYSA-N 354.841 4.175 0 1 FIAF CCCN1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 1911575874 KZQKTOIHFUGYOJ-SFHVURJKSA-N 359.267 4.203 0 1 FIAF CC[C@H](C)C(=O)NC[C@@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 12201039 CQSNXFSJVIDXOL-KSSFIOAISA-N 351.446 4.022 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 13651833 YRTQKPWOTFXIJI-YOMSBLTCSA-N 358.478 4.296 0 1 FIAF COc1cc([C@@H]2c3cc4c(cc3C[C@H](C)[C@@H]2C)OCO4)cc(OC)c1OC 14641077 OZZUFLDUPKLHBA-OYMPBJRDSA-N 370.445 4.401 0 1 FIAF biogenic CC(C)(C)c1ccc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26833587 PMSBINLIZBHCDF-IAGOWNOFSA-N 359.441 4.048 0 1 FIAF CCOc1c(OCC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O 29313561 XLOMNYLYNKKZAT-UHFFFAOYSA-N 366.797 4.141 0 1 FIAF CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](c2ccco2)c2c[nH]nc2N1 64446626 ZZTSAHARMUYSDZ-MRXNPFEDSA-N 372.787 4.265 0 1 FIAF Cc1csc(CNc2ncnc3ccc(-c4ccc([C@@H](C)O)o4)cc23)n1 66124091 AFZYGYJHBGHIPP-GFCCVEGCSA-N 366.446 4.320 0 1 FIAF O=c1cc(Cn2ccnc2)c2ccc(Oc3cc(F)cc(F)c3)cc2o1 66124332 HWBAYCLQCSHWIO-UHFFFAOYSA-N 354.312 4.108 0 1 FIAF C[C@@H]1CCCN1C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144702258 DSMJXXGULMFKQB-CWTRNNRKSA-N 361.363 4.090 0 1 FIAF Nc1nnc(-c2ccc3[nH]cc(-c4nccc(Nc5ccccc5)n4)c3c2)o1 145415620 SAMUUOQCTGFAPT-UHFFFAOYSA-N 369.388 4.001 0 1 FIAF COc1cc(C(=O)N[C@@H](C)c2ccccc2Cl)ccc1-c1cn[nH]c1 221704329 LXQGBVWOYPFPJU-LBPRGKRZSA-N 355.825 4.230 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](Cn1cncn1)CCC3 587105144 QEUGMNNWDVQZJM-AWEZNQCLSA-N 366.424 4.158 0 1 FIAF FC(F)(F)OCc1nc2cc(Br)c(Br)cc2[nH]1 587126124 VPZBVNDXPNZBHE-UHFFFAOYSA-N 373.954 4.124 0 1 FIAF O=C(O)c1cccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587138129 XABFIEUNFIBRQS-UHFFFAOYSA-N 369.577 4.483 0 1 FIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cncc(Br)c2[nH]1 587151651 UHRCDMXZHVJTAM-ZETCQYMHSA-N 354.154 4.139 0 1 FIAF COc1ccc(Cl)cc1NC(=O)Cc1cc2c3c(cccc3n1)CC2 587209596 TWRVOSWBPQGYAG-UHFFFAOYSA-N 352.821 4.177 0 1 FIAF COc1ccccc1Nc1ccccc1-c1nc2nc(Cl)c[nH]c-2n1 587241593 XXLGPYRPJVSQPL-UHFFFAOYSA-N 351.797 4.377 0 1 FIAF C[C@]1(c2ncccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328473 ASGNGGUOPBXYPP-RXVVDRJESA-N 367.351 4.340 0 1 FIAF Cc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1 587392173 XQZGCVIKAXMDQP-QHCPKHFHSA-N 358.441 4.377 0 1 FIAF CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587399966 OGOFVVZLLWJSPK-JIGPKXGUSA-N 373.493 4.451 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC4CCCC4)cc1O)[C@@H](C2)C3=O 587442571 LSWPQJLBMNURBL-JTSKRJEESA-N 366.413 4.211 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(/C=C/C(=O)OC)cc1)CC2=O 587482389 SXWCKZOZVXFFDY-BESKYLIDSA-N 366.413 4.237 0 1 FIAF Cc1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551814 KDACZKNFUSCJCL-PXNSSMCTSA-N 367.788 4.452 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(F)cccc12 587571626 QYKBSBCMEQIODT-DENIHFKCSA-N 362.356 4.335 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2F)N1 587731285 YWLNMXGGBUPDHI-PWJLMRLQSA-N 354.194 4.057 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(F)c32)N1 587738271 MHXXRELFYNUIPQ-YPMLDQLKSA-N 364.233 4.451 0 1 FIAF CNc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587741434 HBXCZUYOPOBCGF-VOJFVSQTSA-N 363.274 4.428 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cnccc23)N1 587807634 XQXSJXHLBXXTNK-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2OCC3)N1 587832081 AXVBAXLWPPBUFU-BTDLBPIBSA-N 362.242 4.147 0 1 FIAF COc1ccc2c(c1OC)[C@](CCC(C)=O)(C1CCCC1)N(C)[C@H](C)C2 962618802 DVXRIUNCIWSKPP-QRQCRPRQSA-N 359.510 4.335 0 1 FIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](Cc2ccccc2)(C2CCCC2)N1 962926574 XKNJGLSNQXPWOJ-UNMCSNQZSA-N 353.437 4.053 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-n3cncn3)c(C)c2)N1 962955022 XQNJBIUVHUOMOQ-IERDGZPVSA-N 357.461 4.071 0 1 FIAF COc1ccc2[nH]cc([C@@]3(C)NCCc4c(OC)ccc(Cl)c43)c2c1 963256770 DZLYCUNLWYYCOT-HXUWFJFHSA-N 356.853 4.248 0 1 FIAF O=C(Nc1cccc(F)c1)c1cc(O)nc2cc(Br)ccc12 1857747084 OOGYIISVSATVRV-UHFFFAOYSA-N 361.170 4.094 0 1 FIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2[C@H](OC)c3occ(C)c3[C@H](O)[C@@]2(C)[C@H]1C 2356544054 ASJPEAYAKQIGTC-VRKOJHLFSA-N 362.466 4.253 0 1 FIAF CCO[C@]1(C)CC[C@@]2(C(C)C)C=C[C@@](C)(O)CCC=C(CO)CC[C@H]1O2 2356792427 JSGGKVVSVXAZPO-CIAFKFPVSA-N 366.542 4.155 0 1 FIAF CCO[C@@H]1C[C@H](c2ccc3c(c2)C(=O)C[C@@](C)(O)C3)c2c(OC)cccc21 2356854778 RSHNJIADZFGREQ-AAIMPIBUSA-N 366.457 4.188 0 1 FIAF COc1ccc(C(=O)Nc2ccc(CCN3CCCC[C@@H]3C)cc2)cc1 3830752 IWNLDPWBUAIFGZ-KRWDZBQOSA-N 352.478 4.364 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4055241 LVXVZZJXPLTRPQ-IEBWSBKVSA-N 356.853 4.348 0 1 FIAF COc1ccc(-c2oc3ncnc(N)c3c2-c2cccc(NC(C)=O)c2)cc1 14945106 JLNOPXIXBUGAQJ-UHFFFAOYSA-N 374.400 4.106 0 1 FIAF CCOC(=O)[C@@]12C[C@]1(CCc1ccccc1)c1cc(Cl)ccc1NC2=O 34821487 CPIBELMJSWEDPO-RTWAWAEBSA-N 369.848 4.116 0 1 FIAF C[C@@H](CN(C)C)Oc1ccc2oc3ccc(O[C@H](C)CN(C)C)cc3c2c1 39208133 AZTHSPGRZOVNLT-IYBDPMFKSA-N 370.493 4.244 0 1 FIAF CCCCn1c2ccccc2c2cc(C(=O)N3CCSCC3)nc(C)c21 58534442 MONQLQCPUOISLD-UHFFFAOYSA-N 367.518 4.487 0 1 FIAF O=C(Nc1nc2ccccc2s1)C(Cl)(C(F)(F)F)C(F)(F)F 68574221 CWLUTPIYOGBQTI-UHFFFAOYSA-N 362.682 4.337 0 1 FIAF biogenic O=C1CSC(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(F)cc2)=N1 73315057 QPWGGZYRDAMYQG-INIZCTEOSA-N 373.840 4.260 0 1 FIAF Cc1noc(C(C)C)c1C(=O)N[C@H]1C(=O)c2ccc(Cl)cc2CC1(C)C 84714847 QAGLMNNHYVQSEK-SFHVURJKSA-N 374.868 4.323 0 1 FIAF CC(C)N1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)[C@@H]2CCCC[C@@H]21 143731300 NDPDRNAYXPWNKG-LEWJYISDSA-N 359.473 4.443 0 1 FIAF COc1cccc(N2C(=O)CS[C@@H]2c2cccc(Br)c2)c1 169342622 SCQMROROKPAOJM-MRXNPFEDSA-N 364.264 4.236 0 1 FIAF Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCO)c3)o2)cc1 169353048 ZLZAADRIEQJPGZ-UHFFFAOYSA-N 365.433 4.203 0 1 FIAF Cc1ccc(CN2[C@H](C)[C@@H](C)Oc3c(Cl)cccc3S2(=O)=O)cc1 169355537 WHHGFCBGSLWNHA-ZIAGYGMSSA-N 365.882 4.009 0 1 FIAF O=C(NC[C@@H]1[C@@H]2CN(CC3CCCC3)C[C@@H]21)c1cc(Cl)cc(Cl)c1 254046563 RUZUQFYMMUPIPE-BCDXTJNWSA-N 367.320 4.091 0 1 FIAF COc1cc(C(=O)c2ccn(-c3ccccc3C)c2)cc(OC)c1OC 299828465 NEFXJDKLMUVUAX-UHFFFAOYSA-N 351.402 4.043 0 1 FIAF CCCn1cnc2cc(-c3nc4c(C)nccc4[nH]3)cc(Br)c21 587003741 MDTSGCNYEJBLFX-UHFFFAOYSA-N 370.254 4.456 0 1 FIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(N)c(N)cc2[nH]1 587014019 GBYKNIZNQQNCOL-UHFFFAOYSA-N 355.854 4.480 0 1 FIAF Clc1cccc(OCc2ccc(-c3nc4ncc[nH]c-4n3)o2)c1Cl 587055529 INSPPHQJAYQKOC-UHFFFAOYSA-N 361.188 4.450 0 1 FIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cnc3ccccc3c2[nH]1 587066879 IVEBHEAFRJSNQP-UHFFFAOYSA-N 367.792 4.165 0 1 FIAF FC(F)(F)c1cncc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587114945 AFURWYZQCUHSHZ-UHFFFAOYSA-N 367.640 4.058 0 1 FIAF CCOc1cc(/C=C\c2nc3ccnc(OC)c3[nH]2)ccc1OC(F)F 587129720 FNJIATPXBFCAAD-ALCCZGGFSA-N 361.348 4.137 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3cccc(Cl)c3)CC1)O2 587379831 XLHADLIQZJIHNU-UHFFFAOYSA-N 356.853 4.235 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(F)cccc1Br)[C@@H](C2)C3=O 587423987 MTPQWUGHZFRFLB-BTDLBPIBSA-N 363.182 4.086 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nc(CC)nc1S)CC2=O 587490569 HSTNVJSVHZJYQO-HXUWFJFHSA-N 372.490 4.175 0 1 FIAF COC(=O)C[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505708 PSOJPMYEMDLZFU-QFIPXVFZSA-N 368.404 4.128 0 1 FIAF CCOC(=O)[C@@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523019 MJTBYEKBXHJZLF-QHCPKHFHSA-N 364.441 4.298 0 1 FIAF CCN(CC)CC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571816 MNCUBQUHEBRALT-WIYYLYMNSA-N 369.461 4.090 0 1 FIAF Cc1cccn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 587585775 GCTGCUQTDSDRIQ-RXVVDRJESA-N 372.380 4.051 0 1 FIAF CC(C)[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587636 NQPFFZQSFZKIBU-KNQAVFIVSA-N 361.397 4.300 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2F)N1 587727252 NDBVNWVRRVQKTG-BCTVWOGZSA-N 356.185 4.490 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC2CCOCC2)N1 587831885 AJZRYWVMUFPIOS-GTNSWQLSSA-N 356.279 4.154 0 1 FIAF Cc1nc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587852839 NMXMELVYDOTWMB-PWJLMRLQSA-N 369.303 4.459 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(s2)CCC3)N1 587857496 KNPJWQUBYVTMSM-AYVTZFPOSA-N 367.287 4.157 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3scnc32)N1 587859579 XIPKXYHWMOCZEZ-JDNHERCYSA-N 367.287 4.159 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@@]3(C)c3ccccc3OC)nc2c1 587931100 QSXWFAAOYSSPRY-XCLFUZPHSA-N 370.836 4.457 0 1 FIAF Cc1cccc2cc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)[nH]c12 962730785 PDEKZIBXTLABEZ-WMZOPIPTSA-N 358.363 4.211 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2coc3cccc(OC)c3c2=O)N1 962950382 MSVQFUAMRHOACE-DMZKTXOQSA-N 374.440 4.297 0 1 FIAF C[C@]1(c2cc(F)ccc2-n2ccnc2)c2c(F)cccc2C[C@@H]2CCCN21 963112302 XLQNFDUODGRHTN-JTSKRJEESA-N 365.427 4.435 0 1 FIAF Cc1c(C)c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2oc1=O 1226477564 DCRCANSGLMNLEA-UHFFFAOYSA-N 363.457 4.453 0 1 FIAF C[C@H](NC(=O)c1ccccc1)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 2356302386 UJOFPTVVRDCXEE-NSHDSACASA-N 370.792 4.184 0 1 FIAF COC(=O)C1=C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@H]1C3 2356733308 OJSJNWQDEOTLSR-YKHIICFISA-N 360.494 4.282 0 1 FIAF CCN(CC)c1ccc(NC(=O)[C@@H]2CCc3cccc(OC)c3C2)cc1 6745285 MUEJGGRERLSFOU-QGZVFWFLSA-N 352.478 4.285 0 1 FIAF COc1ccc(Nc2cc3c(cc2Nc2ccccc2)C(=O)NC3=O)cc1 13735559 LESFPZSUPOHBIP-UHFFFAOYSA-N 359.385 4.066 0 1 FIAF CN[C@@H](c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc12 13917987 GNRSVTHQXVXCIC-NRFANRHFSA-N 362.473 4.149 0 1 FIAF COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1c1cccc(Cl)c1 22851832 LAUJLFDPPWBXRV-SFTDATJTSA-N 356.897 4.274 0 1 FIAF COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C)c2)CC1 28112907 DTNYAHQRGGTLBQ-UHFFFAOYSA-N 361.489 4.117 0 1 FIAF O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cccc(F)c2)cc1 28386209 RMVIWRMAYPLYSC-QHCPKHFHSA-N 374.459 4.497 0 1 FIAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccc(-c2ccccc2)s1 28460955 OYFCHBMDEACELF-YHYVQYDKSA-N 363.482 4.463 0 1 FIAF O=C1c2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2C[C@@H]1F 28572429 LJJDVRIWWXGNQS-VIFPVBQESA-N 353.102 4.275 0 1 FIAF CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CO)CO 32840823 WNCUAIVHPMNYAK-LTKCOYKYSA-N 350.499 4.248 0 1 FIAF endogenous,in-man CSc1ccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)cc1 36471130 NNMNFHBCUSAJMN-UHFFFAOYSA-N 374.421 4.299 0 1 FIAF CC(C)CC(=O)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 169317727 ZBAYGVGVHZNAPF-HXUWFJFHSA-N 370.836 4.045 0 1 FIAF Cc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1Cc1ccccc1 169333091 FMBZAVRZRWOAEK-UHFFFAOYSA-N 366.896 4.416 0 1 FIAF CCCCOc1ccc(Cl)c(-c2nnc3c(C)nc4ccncc4n23)c1 299862321 JLVSSBMNDKOAND-UHFFFAOYSA-N 367.840 4.480 0 1 FIAF Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc12 587113085 JUAZVVAOBXOUJR-NSHDSACASA-N 354.763 4.181 0 1 FIAF N=c1[nH]c2nc(/C=C/c3ccc(SC(F)(F)F)cc3)nc-2c(Cl)[nH]1 587126306 XDJMCPINJWLOSX-ZZXKWVIFSA-N 371.775 4.153 0 1 FIAF COC(=O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587132469 BSSIOKKGXLFKBK-UHFFFAOYSA-N 367.163 4.026 0 1 FIAF CC[C@]1([C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357377 NIWREGZVTXXKKB-YFZFPPMRSA-N 356.393 4.076 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N3CCCCC3)nc1C)O2 587415165 XYSRNJBSCXFMSM-INIZCTEOSA-N 357.479 4.039 0 1 FIAF COc1cc(F)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587727092 AIFQOGASJMQRHV-HUTHGQBESA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cnn(C)c23)N1 587762211 XMXVCYIXHPKTSK-QGHHPUGFSA-N 374.257 4.099 0 1 FIAF CC[C@@]1(CC(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815688 OTEJUBACAQGSQN-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC23CCOCC3)N1 587836103 RRNSHIUSIWIICX-KZULUSFZSA-N 368.290 4.298 0 1 FIAF CC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587850506 ZDYYZBBVPYSEBG-VPTHRUTESA-N 368.271 4.476 0 1 FIAF CN(c1ccc(-c2csc(CC3CCCCC3)n2)cc1)S(C)(=O)=O 587923693 FFCWFHHGWKRDRW-UHFFFAOYSA-N 364.536 4.329 0 1 FIAF Cc1cc2c(cc1F)[C@H](c1cccn1-c1nccc(-c3ccco3)n1)NCC2 962303888 XZTLHSYXTKHNNN-OAQYLSRUSA-N 374.419 4.210 0 1 FIAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12 963103680 LWDGLOBNCZBZNE-LQBOVUBWSA-N 359.485 4.431 0 1 FIAF C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(Br)cc3c21 1772570298 APRKBUZCLDEBSM-JTQLQIEISA-N 371.213 4.490 0 1 FIAF CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2c1C 1772587822 ZCQFSTCIEKKBNG-UHFFFAOYSA-N 373.430 4.027 0 1 FIAF CC(C)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc21 1857555744 QWIKWRWSWFBJEY-UHFFFAOYSA-N 373.460 4.426 0 1 FIAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@H]1[C@@H]1CCCCCC(=O)O1 2356451920 WNTDPCKCELJDEM-ADAARDCZSA-N 364.526 4.303 0 1 FIAF COc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)cc1F 11820646 OZMLRMFKXMVRDF-SFHVURJKSA-N 356.441 4.168 0 3 FIAF CCc1ccc(CCNC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3C)cc1 263590622 CRALXFFSZDYBLB-QTQOVQFESA-N 370.537 4.169 0 3 FIAF COc1ccc(N[C@H](C[S@](=O)c2ccc(C)cc2)C(F)(F)F)cc1 5581585 BUUFBGKRIPFAJH-VOIUYBSRSA-N 357.397 4.154 0 1 FIAF CCc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12 13581556 BLYSXDLBXMMRGT-UHFFFAOYSA-N 373.500 4.207 0 1 FIAF CCCCCCOC[C@@H](CO[P@](=O)(O)OC)OCCCCCC 13760008 MQMHHGBPYLEIJQ-INIZCTEOSA-N 354.424 4.312 0 1 FIAF Cc1cc2c(cc1OCCCN1CCN(c3ccccc3)CC1)CCC2 26501057 RRRWYKSLGQJXIZ-UHFFFAOYSA-N 350.506 4.075 0 1 FIAF CCCn1c(=O)c2[nH]c(C34C[C@@H]5CC3C[C@@H](C5)C4)nc2n(CCC)c1=S 26503270 OFLHGBYHEGLLNJ-QUYAXPHCSA-N 372.538 4.153 0 1 FIAF CO[C@@]1(C)CC[C@H]2[C@H](C)CC[C@@H]3[C@@H](C)C(=O)N(CC(C)(C)C)[C@H](O1)[C@H]23 27558787 CGSGTVOLHMBNGV-XTLHZLKJSA-N 351.531 4.288 0 1 FIAF CC1(C)C=Cc2c(ccc3c2OC[C@H]2c4cc5c(cc4O[C@H]32)OCO5)O1 28871434 PAAJONLTKBLVPE-VBKZILBWSA-N 350.370 4.209 0 1 FIAF biogenic Fc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ncnc3nc[nH]c23)cc1 95577463 DGADXHKVMAJZTI-UHFFFAOYSA-N 356.364 4.216 0 1 FIAF COc1ccc([C@@H](C)NC(=O)Nc2nc(-c3ccncc3)cs2)cc1 165916997 IKDHPOHWKDYISK-GFCCVEGCSA-N 354.435 4.096 0 1 FIAF O=C(c1cc(-n2ccc3ccccc32)c(O)cc1O)N1Cc2ccccc2C1 169343526 OLFHSOXJKHUDGA-UHFFFAOYSA-N 370.408 4.198 0 1 FIAF CC(C)C[C@H]1C[N+]2=C(NC[C@H]2C2CCCCC2)N1CC[C@@H]1C[C@@H]2CC[C@@H]1C2 169721185 SGIBUXSDRUUCRC-FXILAVBZSA-O 372.621 4.464 0 1 FIAF O=C(O)c1csc(Cc2c(-c3ccccc3)nn3cc(Cl)ccc23)n1 203415712 FMLSGJDFXFZGPZ-UHFFFAOYSA-N 369.833 4.400 0 1 FIAF CCC(=O)N1c2c(OC)cccc2[C@]23CCN4CCC[C@](CC)(CC[C@@H]12)[C@@H]43 238774808 CIQNQSRBNFTNRL-RLLPEYFOSA-N 368.521 4.117 0 1 FIAF COc1cc(CNCc2c[nH]c3ccc(Cl)cc23)cc(OC)c1OC 473113373 GMTODAIYPYVYAU-UHFFFAOYSA-N 360.841 4.137 0 1 FIAF CC(C)COc1cc2nc(-c3csc(O)n3)[nH]c2cc1Br 587018107 UPTDIECXRBZJOD-UHFFFAOYSA-N 368.256 4.189 0 1 FIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 587042196 JKYPKXPHUQAPNA-LBPRGKRZSA-N 373.400 4.082 0 1 FIAF CCCc1nc(-c2nc3c(Cl)ncc(C)c3[nH]2)nn1-c1ccccc1F 587156480 OOYTTZUSHQEFDO-UHFFFAOYSA-N 370.819 4.259 0 1 FIAF CC(C)(C)OC(=O)N(Cc1nc2cccc(Cl)c2[nH]1)C[C@@H]1CCCO1 587196395 RXEVKMLFSHCXAD-LBPRGKRZSA-N 365.861 4.132 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)c(C)c1)[C@@H](C2)C3=O 587414425 VFJZAXKIYWPAKJ-LIRRHRJNSA-N 373.246 4.429 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(Cl)ccc(C)c41)[C@@H](C2)C3=O 587423095 UBXJNVOHQXPJAS-RBZFPXEDSA-N 356.805 4.082 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCCC3)s1)CC2=O 587495661 PSBXQYZTVCYSKH-MRXNPFEDSA-N 358.463 4.108 0 1 FIAF CN(C)CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507067 RDGDOVONYOMSRV-QFIPXVFZSA-N 365.473 4.212 0 1 FIAF CC1(C)Cc2[nH]c(=N)sc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587538704 RIZLWQQAEUVEFN-OAQYLSRUSA-N 368.502 4.268 0 1 FIAF Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649472 JXGFVELACGEUIH-UHFFFAOYSA-N 369.364 4.445 0 1 FIAF O=C(Nc1ccc(Cl)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651611 WXLGEPGSUSYRRR-UHFFFAOYSA-N 368.607 4.437 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(F)c(F)c2)N1 587715517 HZEUSGSEXPJNOP-HYORBCNSSA-N 372.184 4.196 0 1 FIAF CNc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587742692 LWGJDOJLMIMFRG-BBATYDOGSA-N 363.274 4.428 0 1 FIAF CCn1cccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587754743 MLBBGJYHJBMGRZ-PIGZYNQJSA-N 351.263 4.207 0 1 FIAF CC(C)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)co1 587771287 BUBLIVIGEDURPK-RFAUZJTJSA-N 353.235 4.323 0 1 FIAF CC(C)[C@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587775811 AEKABDUDWUILHR-KZULUSFZSA-N 363.274 4.417 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@H]1CCCC[C@@H]1C 587872749 PXFTWXAWRJJUDH-BBRMVZONSA-N 361.486 4.389 0 1 FIAF COc1cccc(C(=O)c2ccc(-c3nc4cc(CCO)ccc4[nH]3)cc2)c1 587932785 QJYRMAHOBNTOFV-UHFFFAOYSA-N 372.424 4.004 0 1 FIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(CCO)cc3[nH]2)cc1 587936723 LTEXUIHLKUKEJK-JOCHJYFZSA-N 358.441 4.287 0 1 FIAF COc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(SC)nc(O)c21 618005052 ATUSPTBOLPXTSM-AWEZNQCLSA-N 369.446 4.127 0 1 FIAF CN(C/C=C/c1ccc(Br)cc1)Cc1ccc2c(c1)OCO2 1857538089 XGNWQWSAHHDZBZ-NSCUHMNNSA-N 360.251 4.323 0 1 FIAF O=C(Nc1ccccc1)Nc1nccnc1OCc1cccc(Cl)c1 1857765448 WHBGRRZZVKKRFG-UHFFFAOYSA-N 354.797 4.353 0 1 FIAF CC=Cc1cc(OC)cc(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c1 2356704088 HEOFBSZBJUOVBA-SZNDQCEHSA-N 358.434 4.246 0 1 FIAF COc1ccc(-c2c3c(cc4ncn(Cc5ccccc5)c24)COC3=O)cc1 36387968 FSDLPIDJPMLFRD-UHFFFAOYSA-N 370.408 4.431 0 3 FIAF O=C1COc2ccccc2[C@H](c2nc3ccccc3[nH]2)N1Cc1ccccc1 95569790 PLCXWOGDNAHUPE-JOCHJYFZSA-N 369.424 4.074 0 3 FIAF Cc1cc(O)ccc1Nc1c(C(=O)C(C)C)cnc2c(CO)cccc12 597156 NJPKTOOYCKVHLI-UHFFFAOYSA-N 350.418 4.323 0 1 FIAF CC(C)CC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 2456367 VHRXAPFKDRBWJH-FQEVSTJZSA-N 374.843 4.395 0 1 FIAF COc1ccc2c(c1)O[C@H]1c3c(cc4c(c3OC)C=CC(C)(C)O4)OC[C@H]21 14613204 NURXAZUGLCCIRI-QVKFZJNVSA-N 366.413 4.498 0 1 FIAF biogenic COc1ccc(Cl)c([C@@]2(F)C(=O)Nc3cc(Br)ccc32)c1 25976583 IJRNQHDKUWCQFF-OAHLLOKOSA-N 370.605 4.276 0 1 FIAF Cc1csc2nc([C@H](C)NC(=O)/C=C/c3ccccc3Cl)oc(=O)c12 27519994 XGFIZQRPJSCHHH-AEZGRPFRSA-N 374.849 4.102 0 1 FIAF Cc1cccc(-c2nn3c(=O)c4c5c(sc4nc3s2)CCCC5)c1 28814816 WTMXASZTUHHHFY-UHFFFAOYSA-N 353.472 4.220 0 1 FIAF O=c1[nH]c(C2=C[C@@H](N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12 28954628 HYCGKBODUXUFQK-FQEVSTJZSA-N 369.468 4.258 0 1 FIAF CCNC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(CC1CC1)CC3 36221677 RVWFZRGYOXCUSN-KJXAQDMKSA-N 368.521 4.263 0 1 FIAF in-vivo C=C/C(C)=C\C[C@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]21C 85993550 IEAUFJOLHRNYMW-ZQUAJKCZSA-N 364.526 4.015 0 1 FIAF in-man CCN(CC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(C)cc(C)nn12 96168024 SNOFNBFMBXYLMZ-UHFFFAOYSA-N 370.884 4.077 0 1 FIAF CCN(CC)c1cccc(OCc2cc(=O)oc3ccc(OC)cc23)c1 103223615 WPEXZNSVEWKGPM-UHFFFAOYSA-N 353.418 4.227 0 1 FIAF O=C1[C@@H]([C@H](O)c2ccc(C(F)(F)F)cc2)CCCN1Cc1ccccc1 103282511 BVIZHIWREDUGIA-QZTJIDSGSA-N 363.379 4.178 0 1 FIAF Cc1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cnc1N1CCCC[C@H]1C 118838805 XKLRMVYAFGJUHM-CQSZACIVSA-N 374.448 4.362 0 1 FIAF CO[C@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 138953324 BIJRQAJTQOQURV-SFHVURJKSA-N 362.433 4.238 0 1 FIAF CC(C)[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OC(F)(F)F)cc1)C2=O 169702034 NLHHYKJVMWXELZ-LZLYRXPVSA-N 371.399 4.125 0 1 FIAF CC(=O)CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@H]2C1 196482124 RSJLDQKWMAAKHL-QUKLCWQMSA-N 373.500 4.024 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]2Cc3cc4c(cc3[C@@H]21)OCO4 299822475 ABNCXZLRMPDLES-HXPMCKFVSA-N 354.381 4.096 0 1 FIAF O=C(c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2c1)N1CCNCC1 299861914 IVQGWUQDKUXFRF-UHFFFAOYSA-N 374.528 4.353 0 1 FIAF COc1cccc(-c2nc(O)c3cc(N4CCCCC4)ccc3n2)c1OC 473146075 CMFPYKULQNFIBB-UHFFFAOYSA-N 365.433 4.010 0 1 FIAF COc1cc(OC)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 586979243 KJBRHCWWUMZMJA-UHFFFAOYSA-N 368.618 4.058 0 1 FIAF O=C(O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587042393 SZNJKIGZWUAQNF-UHFFFAOYSA-N 372.471 4.319 0 1 FIAF Cc1c(Br)ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 587118484 NJTCALZXJXOMCL-UHFFFAOYSA-N 373.176 4.092 0 1 FIAF Fc1ccc2c(c1)C[C@H](c1nc3cc(F)cc(Br)c3[nH]1)O2 587175237 WJSXBDYIXZXKFB-CYBMUJFWSA-N 351.150 4.280 0 1 FIAF Nc1cccc(C(=O)O)c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587248876 YQRADMGMOACZDP-UHFFFAOYSA-N 355.703 4.183 0 1 FIAF CCCCCC[C@@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439763 CVDMBTHMKXULLL-JKSBSHDWSA-N 374.477 4.351 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)co1)CC2=O 587457673 AGSRUGNCSXFVET-HNNXBMFYSA-N 351.196 4.407 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1Cc1ccco1)CC2=O 587472257 ZJJHKIRROPEMQY-FQEVSTJZSA-N 351.402 4.494 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)nc1)CC2=O 587477983 YRYKHPKLOVZLSO-LJQANCHMSA-N 352.434 4.046 0 1 FIAF CC(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 587587287 NKBPSTJUZUGFNH-PXNSSMCTSA-N 351.358 4.207 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc[nH]n2)o1 587596746 RRSDHSDVZIOXDI-RXVVDRJESA-N 374.352 4.078 0 1 FIAF C[C@]1(Cc2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607904 IRMJRCBKVQTIHS-SIKLNZKXSA-N 362.381 4.061 0 1 FIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccccc1C(C)C 587649706 ARPJOQGXGNQUIN-UHFFFAOYSA-N 370.474 4.256 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(F)c2)N1 587728804 FVLCRMUTBANIGU-PWJLMRLQSA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)sc2C=O)N1 587738470 OPYOJAYZOHUBCM-MLXNANBUSA-N 372.234 4.225 0 1 FIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587820517 DPCBKEOTLJQHGT-BMLIUANNSA-N 350.231 4.226 0 1 FIAF CCc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587851541 CGFYQUDRXOUMRT-GLEZIHRCSA-N 355.276 4.231 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(-c2ncccn2)cc1 963269324 IHZLXXTZGZPEQN-LJQANCHMSA-N 351.837 4.041 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cccn1-c1ccc(C)cc1 963606380 HMOVQKIUDJSWQP-QMHKHESXSA-N 362.473 4.427 0 1 FIAF O=S1(=O)c2ccccc2CN1c1cc(Cl)cc(Oc2ccccn2)c1 1772604688 ROJVYIHWPWITEK-UHFFFAOYSA-N 372.833 4.236 0 1 FIAF C[C@H](N=c1[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]c2ccccc12)C1CC1 1857769594 LSMKBOZJAWCJNL-NSHDSACASA-N 356.832 4.220 0 1 FIAF O=C1OC[C@H]2CCN(Cc3ccccc3Cl)Cc3ccc(F)cc3N12 2356483866 AUHUSCQRKQSPLY-MRXNPFEDSA-N 360.816 4.210 0 1 FIAF CCC=CC[C@H](O)C=CC=CCCC=CC=CC=C[C@H](O)CCC(=O)O 2356845552 OGAHFIOAOYQNIH-SFTDATJTSA-N 360.494 4.491 0 1 FIAF CC[P@](=O)(OC)c1ccc2oc(-c3cncc(C(F)(F)F)c3)nc2c1 2382235974 VPHLZQJGDODHIE-VWLOTQADSA-N 370.267 4.478 0 1 FIAF COc1ccccc1[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@@H]1CO 13813769 URTBUPVLCXWDKD-IFMALSPDSA-N 358.441 4.064 0 3 FIAF aggregator COc1cccc([C@](C)(O)c2nc(-c3ccc(F)cc3OC)cs2)c1 61926422 RTGWKJDNDUEOME-IBGZPJMESA-N 359.422 4.222 0 3 FIAF O=C1C[C@@H](c2ccccc2)N=C2N(CC3CC3)C/C(=C/c3ccccc3)N12 203471788 YFLHHJMNGXURGE-MSTPFNHUSA-N 357.457 4.083 0 3 FIAF COC(=O)c1cccc(CSc2c(O)cc(-c3ccccc3)oc2=O)c1 6482685 JZOSCTVIJMKEOM-UHFFFAOYSA-N 368.410 4.091 0 1 FIAF O=c1c(-c2ccc(F)cc2)cccn1[C@@H](CN1CCCC1)c1ccccc1 13436604 OVYHMFCSGFXUKP-QFIPXVFZSA-N 362.448 4.340 0 1 FIAF O=c1c(-c2cccs2)cccn1[C@@H](CN1CCCC1)c1ccccc1 13436697 MSHFBNAPZPBWBU-IBGZPJMESA-N 350.487 4.262 0 1 FIAF COc1cccc2c3c(n(C)c12)CCN(CCCOc1ccc(F)cc1)C3 13476842 HKDVQRRLOSMVKD-UHFFFAOYSA-N 368.452 4.153 0 1 FIAF CCCN(CCC)C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651084 GBBZZILPRQEJTL-NRFANRHFSA-N 351.490 4.410 0 1 FIAF N[C@H](CNc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12 14957685 RIFDHCXNKIEZPC-XJDXJNMNSA-N 369.472 4.110 0 1 FIAF CCOC(=O)[C@H]1Cc2cc3c(-c4ccccc4F)noc3c(Cl)c2O1 25975131 ODKOZWXWRJFWHG-CYBMUJFWSA-N 361.756 4.154 0 1 FIAF CCOc1ccc(C[C@H]2NCCc3c2[nH]c2ccccc32)cc1OCC 26670263 PCFCGPUNDNTVAW-LJQANCHMSA-N 350.462 4.395 0 1 FIAF CO[P@](C)(=O)OC[C@H]1[C@@H](C=C(C)C)[C@@]1(C)CO[P@@](C)(=O)OC 31900649 BSAAHOUPSFVCBI-SSGWOAAFSA-N 354.320 4.177 0 1 FIAF O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O[C@@H]3CCCCO3)ccc12 45300205 XGOMGNOHOLSJGJ-HXUWFJFHSA-N 366.369 4.094 0 1 FIAF COc1cc(Nc2nccc(Nc3ccccc3Cl)n2)ccc1C(=O)O 87613226 XWKGGYUMIFVAAX-UHFFFAOYSA-N 370.796 4.324 0 1 FIAF CCOC(=O)c1oc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N 103241964 UERHGZZDHVYYIH-UHFFFAOYSA-N 356.325 4.334 0 1 FIAF C=Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1 203413077 WSVKVPXJUJFLJC-UHFFFAOYSA-N 355.397 4.328 0 1 FIAF Cc1noc(C)c1-c1ccc2c(c1)[C@](O)(c1cccc3ccccc13)C(=O)N2 219520204 OWYMGNIFOKMLPD-HSZRJFAPSA-N 370.408 4.300 0 1 FIAF CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@@]21C 299872474 DUSHUSLJJMDGTE-SGFIWBQDSA-N 374.908 4.037 0 1 FIAF C[C@H](Sc1ncccn1)c1nc2ccc(F)c(Br)c2[nH]1 586961546 JYODDWRGGSMCOP-ZETCQYMHSA-N 353.220 4.108 0 1 FIAF O=C1c2ccccc2-c2cc(-c3cc(Cl)ncn3)nc3ccc(O)c1c23 586986611 OIVQPUFQAYOGJV-UHFFFAOYSA-N 359.772 4.262 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2cc(C)c(F)cc2[nH]1)C(F)(F)F 587092386 LNAHDNXQAAPWRW-QGZVFWFLSA-N 367.346 4.174 0 1 FIAF Cc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1C 587196655 AQYPZKYDWWTFLA-HNNXBMFYSA-N 359.470 4.096 0 1 FIAF COc1ccccc1Nc1ccccc1-c1nc2cccc(C(N)=O)c2[nH]1 587239908 BFYRMNLLAIGOHO-UHFFFAOYSA-N 358.401 4.081 0 1 FIAF CCN(CC)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337312 NVHBZSPSAIFGFD-UNMCSNQZSA-N 371.452 4.381 0 1 FIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(C(F)(F)F)c1 587381772 LMLJJSNWZPGYGH-MRXNPFEDSA-N 351.324 4.311 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc4cccc(C(C)=O)c4n1)[C@@H](C2)C3=O 587436138 MCOZSFRHZNQTFF-SBUREZEXSA-N 373.408 4.109 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)ncnc1Cl)CC2=O 587463328 WXQTTZSBPRGHFK-KRWDZBQOSA-N 367.232 4.322 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(C)c1-c1ccccc1)CC2=O 587475039 KMPZPZYHKQHUMV-HXUWFJFHSA-N 362.429 4.452 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(C)c1OC)CC2=O 587476901 GSIBZGUJJMALOV-IBGZPJMESA-N 356.418 4.377 0 1 FIAF O=C(O)CC[C@@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506336 ROECGASMKCLCGC-QFIPXVFZSA-N 368.404 4.430 0 1 FIAF CCOCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587617023 OCOVPNSZZYWUKL-RXVVDRJESA-N 366.369 4.225 0 1 FIAF COc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2c(C(=O)O)cccc12 587637588 CZCIEHKGOFTEEF-UHFFFAOYSA-N 358.781 4.089 0 1 FIAF C/C=C(\Br)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587671231 PUIQMPQKBHLFQI-PNGLYGMXSA-N 363.068 4.462 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(C2CC2)N1 587774672 NQRGXWGRFMDQPM-ZMZPIMSZSA-N 361.258 4.171 0 1 FIAF CC[C@H](C)OC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587796312 UAYWKRZWGIUHLA-VGTOOOLASA-N 372.278 4.069 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(C)(C)C)N1 587810727 LNGMUJLJLSUQCS-QGHHPUGFSA-N 356.279 4.343 0 1 FIAF Cc1ccc(O)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587834391 RUGIVXQSSQLZMW-BTDLBPIBSA-N 350.231 4.226 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C=O)s2)N1 587846895 JHAUYYQVRKHQIC-XXFAHNHDSA-N 368.271 4.260 0 1 FIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(Br)cc3[nH]2)cc1 587934332 CDIWDJPBZAVUCO-QFYYESIMSA-N 361.239 4.171 0 1 FIAF Oc1ccc(OCCCc2ccccc2)n1-c1ccnc(Br)c1 587939150 CBYSTOOEMRKSAY-UHFFFAOYSA-N 373.250 4.352 0 1 FIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587953106 ZMYUCABPBIXCOU-IGCXYCKISA-N 350.484 4.013 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cnc(SC)nc2C)N1 962943343 GQDXMCFCALOKQQ-RNODOKPDSA-N 352.507 4.176 0 1 FIAF CN(C)/C=C\[C@@]1(C(C)(C)C)c2cccc(Br)c2CCN1C 963278882 CVXSQGIFBRJNDQ-LVWOJMJRSA-N 351.332 4.254 0 1 FIAF CN1CCc2c(Br)cccc2[C@H]1c1cncnc1C(C)(C)F 963290782 YLYUFCRQRNZPFZ-HNNXBMFYSA-N 364.262 4.021 0 1 FIAF COc1ccc2c(c1)[C@@H](C[C@H]1CCOC1)N(Cc1ccc(F)cc1)CC2 963300754 IHGMDDZXOMCBSZ-VGOFRKELSA-N 355.453 4.360 0 1 FIAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H]2C=C(CCCCC(=O)OC)C[C@H]21 2356331777 QIGRQPVOWVHYBT-ALGQRKQJSA-N 364.526 4.161 0 1 FIAF COc1ccc(-c2ccc3c(c2)N(Cc2ccccc2)C(=O)COC3)cc1 74375552 ALWYYQYXQAOCFG-UHFFFAOYSA-N 359.425 4.426 0 3 FIAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NC2CCCC2)cc1 773981 QKUOCYJTBDJXBY-UHFFFAOYSA-N 352.390 4.283 0 1 FIAF O=C(CCCN1CC[C@@](O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 3937620 BETHXCLHMRGYBW-FQEVSTJZSA-N 361.844 4.036 0 1 FIAF in-vitro C[C@@H]1CC[C@@H]2[C@@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]12CC[C@@](C)(CO)O2 4143441 UJHGQFKKYLHYKM-QBWPMPBKSA-N 366.542 4.291 0 1 FIAF CCC(CC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 13583139 QXLPFHJBVAVMOL-UHFFFAOYSA-N 366.513 4.383 0 1 FIAF COc1ccc2c(c1)[C@H](OS(=O)(=O)O)C[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@H]12 31418287 PFJCFTUPAUBLFO-YRGVVPAESA-N 366.479 4.259 0 1 FIAF CN1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2Br)C1 36238006 YFZYRKUTAITPML-AWEZNQCLSA-N 366.686 4.428 0 1 FIAF CCOc1cccc(-c2cc(NCCCN(C)c3ccccc3)ncn2)c1 82162322 WBCOSBDEBDAJGU-UHFFFAOYSA-N 362.477 4.481 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@H]3CC[C@@]12O 86002563 KMEXOYVGFCBAQV-ZXWQWYJFSA-N 360.494 4.456 0 1 FIAF biogenic C[C@H](SC1=NS(=O)(=O)c2ccc(Cl)cc2N1)c1ccccc1 95584953 USLRWOXTLJXISN-JTQLQIEISA-N 352.868 4.305 0 1 FIAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccnc1 100703574 JKYGEJNZMMBBSN-AWEZNQCLSA-N 368.462 4.293 0 1 FIAF Cc1cnc(N2C(=O)CS[C@H]2c2cc3ccccc3nc2Cl)s1 103196587 PMGLRKFKFFWFDU-HNNXBMFYSA-N 361.879 4.432 0 1 FIAF Cc1c(Cl)ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 586997802 VDPMZWYIGJYJJA-CQSZACIVSA-N 351.631 4.369 0 1 FIAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)s1 587014963 UVABPINXUVLNTI-LLVKDONJSA-N 371.441 4.417 0 1 FIAF Cc1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1C 587044102 ZKPSALAVFQXTDJ-HNNXBMFYSA-N 357.866 4.489 0 1 FIAF CN(C)C(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587086214 XKKMRNODTUHPRT-UHFFFAOYSA-N 350.809 4.133 0 1 FIAF Fc1cc(F)c(-c2nc3c(F)cnc(Cl)c3[nH]2)cc1Br 587136889 YEAJOLWFKOPQHH-UHFFFAOYSA-N 362.536 4.458 0 1 FIAF Cc1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1 587202889 IAXPBGOFNIBPNU-UHFFFAOYSA-N 350.422 4.388 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Br)=COc2ccccc21 587371147 DLNAPUYTNLYMEL-SFHVURJKSA-N 372.218 4.067 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC3CCOCC3)cc1)O2 587412809 PFWKIVZRRKGICU-QFIPXVFZSA-N 367.445 4.016 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccccc4)c1C)[C@@H](C2)C3=O 587429994 CKBUNOLGXWFYGP-FDDCHVKYSA-N 374.440 4.046 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(C(C)C)cc4)c1)[C@@H](C2)C3=O 587433418 XSWLNOCGVSVJFI-WMZHIEFXSA-N 374.440 4.493 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cncn1Cc1ccccc1)CC2=O 587470524 KSFCZCVQTSXBLC-OAQYLSRUSA-N 362.429 4.296 0 1 FIAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 587552488 RVEVGTAVQHQJOF-APWZRJJASA-N 367.788 4.452 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2ncccc12 587585927 IQJSKUYWUQDTFF-GHTZIAJQSA-N 370.364 4.038 0 1 FIAF COc1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601265 RSSKYZKHUDKABT-REWPJTCUSA-N 374.392 4.204 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(F)cccc32)N1 587740560 YKADIZXQBKPJGJ-YPMLDQLKSA-N 364.233 4.451 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3c[nH]cc32)N1 587795478 XKYGTTPKPFZTOE-VOJFVSQTSA-N 363.274 4.421 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COCc2ccccc2)N1 587802035 PFJYULFUGMRUDQ-MLGOLLRUSA-N 364.258 4.380 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2cc(F)c(F)cc2[nH]1 587870689 PKDHEYHBRGTUQB-UHFFFAOYSA-N 358.323 4.232 0 1 FIAF CCC(CC)c1nc(-c2ccc(N(CC)S(C)(=O)=O)cc2)cs1 587923490 SPZWSPBCPMZOSN-UHFFFAOYSA-N 352.525 4.500 0 1 FIAF Cc1sc2c(c1C)CCN[C@@H]2c1ncc(Cl)cc1Br 963034126 XOYYKPLDTSQTCE-CYBMUJFWSA-N 357.704 4.411 0 1 FIAF CCOC(=O)c1cccc(C[C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)c1 963102913 GKDBSBZPIGAQKO-XXBNENTESA-N 367.464 4.481 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@]4(C)[C@@H]2CC[C@@H]1C3 3871830 PTGGVIKFNQSFBY-HELMJPAQSA-N 358.478 4.210 0 3 FIAF in-vitro COc1cc([C@H]2CC(=O)Oc3ccc(C(C)(C)C)cc32)cc(OC)c1OC 13814674 PEMKGCRKBZTUIW-OAHLLOKOSA-N 370.445 4.451 0 3 FIAF CCCCN1C[C@H](Cc2ccccc2)[C@@H](CC(=O)Nc2ccccc2)C1=O 15937272 RWKITZCZCBHVJW-PZJWPPBQSA-N 364.489 4.133 0 3 FIAF N[C@@H](Cc1ccc(F)cc1)c1csc(Nc2nncc3ccccc23)n1 61927471 HLDPMZGZWYOLNN-INIZCTEOSA-N 365.437 4.212 0 3 FIAF C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)N1CCc1c2[nH]c2ccccc12 2140460 YDDYYRFKJRYZGO-HXUWFJFHSA-N 365.820 4.061 0 1 FIAF biogenic COc1cccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 3826401 YJSBONOKYYPFLW-UGSOOPFHSA-N 358.869 4.084 0 1 FIAF Cc1oc(-c2ccccc2)nc1COc1ccc([C@H](C)N(O)C(N)=O)cc1 13604003 JIQSZBXJCUQLPZ-ZDUSSCGKSA-N 367.405 4.060 0 1 FIAF CC[C@@H]1CCCCN1CCCNC(=O)c1cc2ccc3cccnc3c2[nH]1 20575431 UTAZDAGCYHRNCP-GOSISDBHSA-N 364.493 4.101 0 1 FIAF COc1ccc(C[C@H]2NCCc3c2[nH]c2c(C)cc(C)cc32)cc1OC 26670485 DBWVPJVRORRVEB-GOSISDBHSA-N 350.462 4.231 0 1 FIAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(CN)cc3)c(C)nn12 27194862 GOCCVLPXYSRGRS-UHFFFAOYSA-N 351.498 4.098 0 1 FIAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2cccnc2)/C1=C(\O)OC1CCCCC1 27556973 UAUNBHIEZRNQSJ-FDCFBWIESA-N 357.410 4.267 0 1 FIAF CC(C)N[C@@H](C)[C@H](O)COc1ccccc1-c1nc2ccccc2s1 28766539 XLWHOSCPYSMBHS-WMLDXEAASA-N 356.491 4.090 0 1 FIAF FC(F)(F)c1cccc(-c2nc(Nc3ccncc3)c3nccnc3n2)c1 28822239 YXUQQVMINOKHOJ-UHFFFAOYSA-N 368.322 4.244 0 1 FIAF CCC(CC)Nc1nc(C)nc2c(-c3cc(F)c(OC)cc3C)c(C)nn12 40936992 ACNQTWXNBWDSRD-UHFFFAOYSA-N 371.460 4.465 0 1 FIAF COC(=O)C1=CCC[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@@]12C 40943720 CCRPRTUMLVVFRR-BPERIUBUSA-N 358.434 4.200 0 1 FIAF O=c1[nH]c(CNc2ccc(O)cc2)nc2c1sc1ccc(Cl)cc12 45287954 ZTLCMRDEIUMTAU-UHFFFAOYSA-N 357.822 4.109 0 1 FIAF CCCCOc1ccc(-c2nc(CNCC[C@@H]3CCCN3C)co2)cc1 72102186 HLUZAVJRSUYWRJ-IBGZPJMESA-N 357.498 4.094 0 1 FIAF CC1(C)NCCn2c1nc(-c1ccc(F)cc1)c2Nc1ccc(F)cc1 84690176 ZELGCKFGDPUFBX-UHFFFAOYSA-N 354.404 4.410 0 1 FIAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc(C(F)(F)F)cc1 100018883 HSFKHBCFEZQMJN-WTNDLDAUSA-N 369.339 4.127 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3C[C@]34CCc3ccccc34)nc1-2 586884113 HBEFSGGTCJBDNZ-QFYYESIMSA-N 364.758 4.348 0 1 FIAF Brc1cccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587016325 KAAXZWJOUVAKCS-LLVKDONJSA-N 350.241 4.300 0 1 FIAF Clc1ncc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)nc-2[nH]1 587083153 ILBJIIFCQGTPRR-UHFFFAOYSA-N 350.596 4.480 0 1 FIAF C[C@@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587157359 SUXVGRZLAQXDSG-INIZCTEOSA-N 365.195 4.195 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCC4)s1)[C@@H](C2)C3=O 587448684 BGFZGBAUAXBIEQ-XOBRGWDASA-N 355.459 4.236 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cn3cc(Cl)ccc3n1)CC2=O 587458695 AQFFCQQMRQJPTG-KRWDZBQOSA-N 356.809 4.352 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)OCCCO3)CC2=O 587482162 BZUMABFNZGMFFM-IBGZPJMESA-N 354.402 4.213 0 1 FIAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517752 UGOAPRGLKOKZNX-IEBWSBKVSA-N 371.477 4.299 0 1 FIAF CCOC(=O)[C@@H]1CCC[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587527572 XRZPBEUXQDHKNL-YRNRMSPPSA-N 356.462 4.269 0 1 FIAF CCCCc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587588717 LFBHZNFDUBDAPP-GHTZIAJQSA-N 364.401 4.161 0 1 FIAF C[C@@H]1CC(C)(C)CC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603316 LWCYBWYEALMCOH-FIRDEBMASA-N 366.413 4.118 0 1 FIAF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C(C)C 587766851 XKGKPXMDCYUPIB-BTDLBPIBSA-N 366.278 4.298 0 1 FIAF Cc1ccc(O)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587834395 RUGIVXQSSQLZMW-QGHHPUGFSA-N 350.231 4.226 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCO3)N1 587834906 NJGQAMOZRLPOQT-YPMLDQLKSA-N 362.242 4.147 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C=O)cs2)N1 587847872 MELMHKPQBIWPII-JDNHERCYSA-N 368.271 4.260 0 1 FIAF COC(=O)Nc1ccc(NC(=O)Nc2nc3ccc(F)cc3s2)cc1 653882872 OHDONADUKAYJJT-UHFFFAOYSA-N 360.370 4.258 0 1 FIAF Cn1nc2ccccc2c1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962996260 IAOCMOUYSSRHNI-NRFANRHFSA-N 360.486 4.178 0 1 FIAF CC1(C)CN2c3cc(Br)cc(c31)C21C(C)(C)C(O)C1(C)C 963090631 YCERPECLMOQIKS-UHFFFAOYSA-N 350.300 4.183 0 1 FIAF COC(=O)[C@H]1C[C@@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963115123 ZMPPDFALMSCASY-IFXJQAMLSA-N 362.256 4.043 0 1 FIAF C=C(/C(C)=C/c1ccc(OC)c(N)c1)c1cc(OC)c(OC)c(OC)c1 1772601152 KKFYJVSIWFALFY-UKTHLTGXSA-N 355.434 4.420 0 1 FIAF COc1ccc2oc(C(=O)N(Cc3cccs3)c3cc[nH]n3)cc2c1 1772654337 URGJJYUCJXXIFZ-UHFFFAOYSA-N 353.403 4.073 0 1 FIAF Cc1cc(OCC(=O)NCCF)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857590496 WATCGFGGHXJVLC-UHFFFAOYSA-N 373.468 4.188 0 1 FIAF C[C@@H]1CCc2c(cc(Br)c(F)c2Br)N1C=S 1857747593 HRJAGBWLKOKNPD-ZCFIWIBFSA-N 367.081 4.449 0 1 FIAF COc1cc2c(cc1CC=C(C)C)C(=O)C[C@H](c1ccc(O)cc1O)O2 2356423674 BHLNLHSSZNUHBX-HXUWFJFHSA-N 354.402 4.322 0 1 FIAF COc1ccccc1N1CCN(CCCCOc2ccc(C)cc2C)CC1 4845570 XGYHQMTUCKDHOT-UHFFFAOYSA-N 368.521 4.293 0 3 FIAF Cc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 2467997 MWKDXVFTYKGSRT-UHFFFAOYSA-N 363.442 4.339 0 1 FIAF COc1ccc(-c2csc(Nc3ccc(C(=O)O)cc3)n2)c(OC)c1 7321822 MAPXDXRWGLELIN-UHFFFAOYSA-N 356.403 4.269 0 1 FIAF Cc1ccc2c(C(=O)N3CCCC(F)(F)C3)cc(-c3cn[nH]c3)nc2c1C 20998588 GGUPFICYDZUPLA-UHFFFAOYSA-N 370.403 4.113 0 1 FIAF COc1ccccc1CN[C@@H]1C2CCN(CC2)[C@H]1c1cccc(Cl)c1 22443830 LAUJLFDPPWBXRV-RTWAWAEBSA-N 356.897 4.274 0 1 FIAF O=C(O)c1ccc(Nc2ncc([C@@H]3C=NN=N3)c(Nc3ccccc3)n2)cc1 29042677 CSPLUAPBXKCAEC-INIZCTEOSA-N 373.376 4.155 0 1 FIAF O=C(O)[C@H]1CCCN1CCCCOc1ccccc1CCc1ccccc1 29489211 HNWRDPMIUFAEPM-OAQYLSRUSA-N 367.489 4.180 0 1 FIAF CCCNC(=O)C1=C(C)Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 34337331 MZEOZHLMYVJVFI-INIZCTEOSA-N 365.264 4.005 0 1 FIAF Oc1ccc(CN2CCC(NCc3cccc(C(F)(F)F)c3)CC2)cc1 45322142 WZBIYJVFNBSVOR-UHFFFAOYSA-N 364.411 4.165 0 1 FIAF COc1ccc(Nc2nccc3c2cc(-c2ccccc2OC)n3C)cn1 82082791 IGPYHEDOLQHUQJ-UHFFFAOYSA-N 360.417 4.396 0 1 FIAF COc1ccc(CNc2cc(-c3cc(Cl)ccc3OC)ncn2)cc1 82160801 UWMAZCIIYDBQJP-UHFFFAOYSA-N 355.825 4.426 0 1 FIAF COc1ccc(/C(=C2\C(=O)Nc3ccccc32)c2nc3ccccc3[nH]2)cc1 84738778 QLAUNJOGYCGEFS-QZQOTICOSA-N 367.408 4.483 0 1 FIAF COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@@H](C)[C@H](C)C2=O 85930499 ZXAFNDDXODHVOJ-PVUDRZGPSA-N 356.418 4.018 0 1 FIAF biogenic Oc1cccc2[n+]1[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2ccccc21 100721978 LDIRTRYGOHSAHW-IRLDBZIGSA-O 356.401 4.290 0 1 FIAF O=C(Cc1ccc(Oc2ccccc2)cc1)N[C@H]1CCOc2ncccc21 146636743 RAZWIUWYZBDAMU-FQEVSTJZSA-N 360.413 4.056 0 1 FIAF CC[C@H](C)c1cc(Oc2c(C)cc(C[C@H](N)C(=O)O)cc2C)ccc1O 169342206 CXVQAKBCGAUNCQ-SGTLLEGYSA-N 357.450 4.269 0 1 FIAF O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H]1CCOc2ncccc21 205617138 ZTYMSNJZLMPYMB-IBGZPJMESA-N 360.413 4.056 0 1 FIAF C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](N)C[C@@]1(c1cccc(O)c1)C2 253637758 DBPFGWTUHBQYTM-CMCISMSHSA-N 364.533 4.094 0 1 FIAF Fc1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 386920750 LCESWFXHXBZDQT-UHFFFAOYSA-N 363.186 4.293 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](O)[C@H](C)c3ccc(C)cc3)nc2c1 586891136 SUWNYVQWEZTWFV-DIFFPNOSSA-N 358.825 4.148 0 1 FIAF O=[S@](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)CC1CC1 586959192 MBVOARRLROCKAD-DEOSSOPVSA-N 370.318 4.259 0 1 FIAF C[C@H](Sc1ncccn1)c1nc2cc(F)cc(Br)c2[nH]1 586962299 PMZAJJKCEWXWDO-ZETCQYMHSA-N 353.220 4.108 0 1 FIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(F)cc3[nH]2)cs1 587019593 QKTCXHKPYIJTHY-UHFFFAOYSA-N 367.409 4.393 0 1 FIAF CCOC(=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587075099 CIADEVUMNNQLTJ-KRWDZBQOSA-N 369.808 4.010 0 1 FIAF O=C(CCc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(F)cc1 587161763 CSZGTXRPVSWZKA-UHFFFAOYSA-N 365.177 4.419 0 1 FIAF Cc1nccc2[nH]c(/C=C/c3cccc(I)c3)nc12 587183985 MXEZLXQDBSSFMB-AATRIKPKSA-N 361.186 4.041 0 1 FIAF Cc1cnc(Cl)c2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc12 587232847 BWXHCTMABXJUIR-VXGBXAGGSA-N 364.877 4.471 0 1 FIAF CC[C@]1([C@@H]2CCCNC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346328 MAFFDIQSGVMMDA-UPKQVVFYSA-N 369.436 4.039 0 1 FIAF CCOC(=O)C[C@]1(CC2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1 587399408 JUISJEKKCRGHSB-NRFANRHFSA-N 359.466 4.205 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2cccc(C(=O)O)c21 587409468 VCEIODJJKICAHS-QHCPKHFHSA-N 371.392 4.165 0 1 FIAF COc1cc2c3c(c1)O[C@H](/C(=C\N(C)C)c1ccc(Cl)cc1)[C@@H](C2)C3=O 587421236 KTXDTPLCLLTEGG-UKIQDEFRSA-N 369.848 4.067 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCN(c3cccc(F)c3)CC1)CC2=O 587467204 OZKGKFVMZNEHGE-UHFFFAOYSA-N 369.436 4.488 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ncon3)cc1)CC2=O 587481560 GPFVWXBADDRIGU-SFHVURJKSA-N 350.374 4.101 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc(SC)nc1C)CC2=O 587492365 OKFLWMRUYVUIKD-IBGZPJMESA-N 358.463 4.046 0 1 FIAF O=C1C[C@@]2(CCCCC[C@H]2Cn2cncn2)Oc2c1ccc1c2CCCC1 587516623 DLPZJILNEHBPSG-HTAPYJJXSA-N 365.477 4.141 0 1 FIAF COc1ccc(-n2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1 587516924 GHQWZVLRGIERQB-JOCHJYFZSA-N 374.440 4.466 0 1 FIAF O=C1C[C@@H](c2ccc3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 587535020 HVIWTWITAVCWGY-FQEVSTJZSA-N 350.414 4.433 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(F)c1O 587554376 DDDCPZSWLZLRIV-UZLBHIALSA-N 370.307 4.079 0 1 FIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1ccc2c(O)nc(O)nc2n1 587564330 PVEPHPFJAPURLR-UHFFFAOYSA-N 370.821 4.188 0 1 FIAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587718583 NKUNINJRVNLJRI-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(F)cc2C=O)N1 587739023 SILJDUHMKAHSMZ-NXSYQRQQSA-N 372.234 4.225 0 1 FIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587764794 BKYFWAGEXPVFAN-BBATYDOGSA-N 363.274 4.398 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC(=O)C2CC2)N1 587816237 VODDPISJSAVRLA-QMTHXVAHSA-N 354.263 4.313 0 1 FIAF COc1cc(C2(c3nc4ccnc(Br)c4[nH]3)CC2)ccc1C 587925416 OQJOEVQNQRYCRX-UHFFFAOYSA-N 358.239 4.117 0 1 FIAF Nc1ccc(-c2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)cn1 653685071 WJAVPGDFVOQJIG-UHFFFAOYSA-N 355.323 4.059 0 1 FIAF CCc1cccc([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962971212 STWITUWMWJHNRC-HNAYVOBHSA-N 365.807 4.043 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCCC2)NCCc2cc3cccc(OC)c3nc21 963049863 BFUFQIKJUHJJTD-XMMPIXPASA-N 374.484 4.368 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c[nH]c2c3c(ccc12)CCC3 963635627 NHHVNABBSNSOAX-ZAMGYDSWSA-N 362.473 4.297 0 1 FIAF Cc1nc2c(oc3nc(-c4ccccc4)cc(C(F)(F)F)c32)c(=O)n1C 1857637101 IZYNSRYZKYZPQE-UHFFFAOYSA-N 359.307 4.069 0 1 FIAF COc1ccc(O[C@H](COCc2ccccc2)C[C@@H]2COC(C)(C)O2)cc1 5841916 RCNXPBMLVWXRKW-LEWJYISDSA-N 372.461 4.201 0 1 FIAF C[C@]12CCC(=O)C=C1[C@H]1C[C@H]1[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 6067548 RRHHMFQGHCFGMH-PBOPCYCASA-N 354.490 4.450 0 1 FIAF Cc1nn(C(=O)Cc2ccccc2)c2c1[C@H](c1ccccc1)SC(=N)N2 6483912 LWSAWOCJQJKXEL-SFHVURJKSA-N 362.458 4.257 0 1 FIAF CC(C)=CCc1c(O)ccc2c1OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4 13380859 QUNOVMVJDFPSOE-VFNWGFHPSA-N 352.386 4.239 0 1 FIAF biogenic c1cc[n+]2c(c1)[C@@H]1c3c(ccc4c3OC4)[C@H]2CC1(c1ccoc1)c1ccoc1 27179672 XTXWJAYXBFETRL-IFMALSPDSA-N 368.412 4.477 0 1 FIAF CCOC(=O)C1=C[C@H]2[C@@H](CC)CCN3CCc4c(n1c1ccccc41)[C@@H]23 27623754 VGAYLYPKNAGUGZ-GZRFBZBPSA-N 350.462 4.004 0 1 FIAF CS(=O)(=O)c1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)[nH]1 28220027 IBLQJTWSKQIOQO-UHFFFAOYSA-N 367.257 4.454 0 1 FIAF CN(C)Cc1c2n(c3ccccc13)Cc1c(CN(C)C)c3ccccc3n1C2 28572129 PUDDOANNCQNPJM-UHFFFAOYSA-N 372.516 4.129 0 1 FIAF CCc1c(-c2ccc(OC(C)=O)cc2)n(C)c2cc(OC(C)=O)ccc12 29228703 PAJLILBPMDYBGO-UHFFFAOYSA-N 351.402 4.258 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](n1ccnc1)C2=O 34865066 FJTZEZQHMRVBGI-RMLDPDKQSA-N 352.478 4.135 0 1 FIAF Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(F)cc1Cl 49784872 SEDGRTLGEXMXPE-UHFFFAOYSA-N 358.800 4.301 0 1 FIAF COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cccc(Cl)c1Cl 64528526 OTIYUWWOXDONKB-BQYQJAHWSA-N 368.172 4.469 0 1 FIAF Cc1nnc(Nc2sc3c(c2-c2nc4ccccc4s2)CCNC3)o1 84704043 VLQPZZDLOJGSEB-UHFFFAOYSA-N 369.475 4.106 0 1 FIAF Clc1cccc(CNc2nc(NCc3ccccc3)c3nc[nH]c3n2)c1 89455082 XWRVYJXBDNZACL-UHFFFAOYSA-N 364.840 4.231 0 1 FIAF COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4F)c3c2s1 96270441 VONVAHFLRYRXSJ-UHFFFAOYSA-N 371.372 4.233 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C[C@@H]2CC[C@@H]1N2C 169352983 OXDFFEQFKNRNGA-WOZUAGRISA-N 371.427 4.371 0 1 FIAF Cc1nc(-c2ccccc2F)c2c(N3Cc4ccccc4C[C@@H]3C)ncnn12 169711748 BVZHUSQLXALJRA-AWEZNQCLSA-N 373.435 4.190 0 1 FIAF Cc1nc(C(C)(C)NC(=O)c2ccc(C)c(-c3cccc(Cl)c3)n2)no1 206695640 NYSYUPLWALRULA-UHFFFAOYSA-N 370.840 4.067 0 1 FIAF COc1ccc2c(c1)CC[C@@]1(CCCCN1CCc1cccc(F)c1)C2=O 207875114 PQPKGTSWWPXKBB-QHCPKHFHSA-N 367.464 4.431 0 1 FIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2c(ccc4ccccc24)O[C@H]31 220400572 ZDFIDZSMZURJTE-HSZRJFAPSA-N 370.408 4.419 0 1 FIAF C[C@](O)(c1cccc(OCc2ccccc2)c1)c1ncnc2ccccc12 299858569 DUVPMXNFUWEQFX-QHCPKHFHSA-N 356.425 4.465 0 1 FIAF Cc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nn1 474609001 NJGBEVSXTMMBPQ-UHFFFAOYSA-N 360.364 4.137 0 1 FIAF Cc1ccc(-n2ccnc2SCc2nc3ccc(CO)cc3[nH]2)c(C)c1 586966453 NPACVJGGCYJGMR-UHFFFAOYSA-N 364.474 4.150 0 1 FIAF Fc1cc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587035803 TZCGBUNKCSUVDP-GFCCVEGCSA-N 367.243 4.383 0 1 FIAF Cc1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1C 587044103 ZKPSALAVFQXTDJ-OAHLLOKOSA-N 357.866 4.489 0 1 FIAF Cc1c(Cl)ccc2nc(C(F)(Br)Br)[nH]c12 587087959 GYKVWLBWQVBCNB-UHFFFAOYSA-N 356.420 4.394 0 1 FIAF COC(=O)[C@@]1(C)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587105969 CKOCYLOAMCTNIH-QHCPKHFHSA-N 357.409 4.114 0 1 FIAF Cc1cc(Br)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1F 587137842 OAJSNBWVSGSIFZ-UHFFFAOYSA-N 367.149 4.277 0 1 FIAF CCN(CC)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337311 NVHBZSPSAIFGFD-RBBKRZOGSA-N 371.452 4.381 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccccc3n1C)CC2=O 587474734 HIPYPFGNQCTYCR-OAQYLSRUSA-N 350.418 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)s1)([C@H](C)O)CC2=O 587496671 ZPCUGYXNRLPYMV-YPMLDQLKSA-N 366.866 4.301 0 1 FIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(C)=O 587522058 DSQVZQYYRMFFCS-FQEVSTJZSA-N 366.413 4.206 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(Cl)c1 587549269 ZEUUAMMZPUNBTL-FXAWDEMLSA-N 368.772 4.454 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)C1CC1 587588834 SMHKZXOUUDSDRI-DENIHFKCSA-N 359.381 4.054 0 1 FIAF CC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601424 FXLMSDRBGBXCGS-OFNKIYASSA-N 374.392 4.472 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccoc3c2)N1 587779145 VGQJTERYRCZUKX-XLFHBGCDSA-N 361.214 4.353 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2CC2)(C2CC2)N1 587815202 KQOATLJUILKFFR-MGNBDDOMSA-N 366.274 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2)N1 587835458 WXGAAAWBRUHJIG-BTDLBPIBSA-N 350.231 4.092 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)CN1CCCCCC1 587871967 GBJQHORVWQJYTO-INIZCTEOSA-N 373.472 4.240 0 1 FIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2nc(Br)c[nH]c-2n1 587951012 FYTJJCJZOYXPCY-DCAQKATOSA-N 353.264 4.113 0 1 FIAF COc1ccc2c(c1)[C@](c1ccncc1)(c1ccc(O)cc1)N(C(C)C)CC2 962094041 VOBJZPOBRJCNTA-XMMPIXPASA-N 374.484 4.354 0 1 FIAF COc1ccc2c(c1OC)[C@]1(CC[C@H]1OCc1ccccc1)N(C)[C@H](C)C2 962626696 MYUUYJHCHJGABW-AYPBNUJASA-N 367.489 4.155 0 1 FIAF c1ccc(-c2cccc3c2[C@@H](c2nccnc2-c2cccnc2)NCC3)cc1 962664995 JDYAHLCRKODAJL-QHCPKHFHSA-N 364.452 4.441 0 1 FIAF Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(C(=O)O)cc3)n(C)c2c1 1857621176 CERQVWGEECIUAY-GFCCVEGCSA-N 370.836 4.329 0 1 FIAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@@H]1[C@@H]1CCCCCC(=O)O1 2356451921 WNTDPCKCELJDEM-IFLJBQAJSA-N 364.526 4.303 0 1 FIAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@]1(COC(=O)O1)C3 2356739040 WIYJSBIUVLCAHT-LRYUTJMQSA-N 362.466 4.390 0 1 FIAF OC[C@H]1CCCN1Cc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 2382232683 SLEXNRHJFORPIB-GOSISDBHSA-N 365.395 4.241 0 1 FIAF COc1ccc2c3c(c(=O)n(C)c2c1OCC=C(C)C)C=CC(C)(C)O3 5158809 LSHRUPOFWOLHMO-UHFFFAOYSA-N 355.434 4.076 0 1 FIAF biogenic COc1cc(-c2cc(=O)c3c(O)cc4c(c3o2)C=CC(C)(C)O4)ccc1O 13373999 AGOMJPUUTGWSSH-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF biogenic CNC(=O)c1cc2c(Oc3ccc(OC(F)(F)F)cc3)cncc2s1 13864406 IFXVYTRFRFAZEE-UHFFFAOYSA-N 368.336 4.347 0 1 FIAF COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)cc1)CC3 26639922 LXKHTQRJWHHCDP-UHFFFAOYSA-N 355.821 4.013 0 1 FIAF CC(C)(C)OC(=O)Nc1ccc(-c2cc(/C=C3/CN4CC[C@@H]3C4)on2)cc1 26669294 GXHNERMILLSZQF-CCAPLTMGSA-N 367.449 4.408 0 1 FIAF COc1ccc([C@@]2(Cc3ccccc3)CCNC2=O)cc1OC1CCCC1 27328490 QECAOTVWRHOMKG-QHCPKHFHSA-N 365.473 4.017 0 1 FIAF CC[C@H](c1ccc(F)c(F)c1)n1c(C(=O)NCC(C)C)c[nH]c1=S 28337607 NVPGETHXIANGPI-CQSZACIVSA-N 353.438 4.209 0 1 FIAF CNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1cccc2ccccc12 36761623 KGXCYNWCPQLEEV-UHFFFAOYSA-N 364.449 4.469 0 1 FIAF O=C(O)c1cn(C2CC2)c2c(F)c(Oc3ccccc3)c(F)cc2c1=O 40918572 JOHDIHSGTXDMPB-UHFFFAOYSA-N 357.312 4.105 0 1 FIAF c1ccc(Oc2ccccc2-c2nnc3ccc(-n4cccc4)nn23)cc1 82060500 CKRCXCPLFYLBQA-UHFFFAOYSA-N 353.385 4.374 0 1 FIAF CCCCNc1nc(N2CCC(C)CC2)nc2cc(OC)c(OC)cc12 82129007 GQDZMSZGYDTDBT-UHFFFAOYSA-N 358.486 4.095 0 1 FIAF O=C1N[C@@H]2CCCC[C@H]2N1C1CCN([C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 95607774 RVFJUGFEQYVYCP-XGAGZNTDSA-N 359.558 4.146 0 1 FIAF Oc1nc(O)c(Cc2nccs2)c([C@H]2CC[C@@H](c3ccccc3)CC2)n1 254085986 BQKFLGKVHUYRPC-GASCZTMLSA-N 367.474 4.377 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]43C)[C@@H]1CC[C@H]2C(C)=O 299849560 CLPHRXGNIWYRJV-CPNHSSNXSA-N 374.521 4.347 0 1 FIAF FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4nc[nH]n4)n3)cc2)cc1 299870688 WSEVQURRUBGJEN-UHFFFAOYSA-N 373.294 4.333 0 1 FIAF O=S(=O)(Nc1ccc(-c2ccccc2)c2cccnc12)c1cccnc1 473165205 AEYSFHITNMWXST-UHFFFAOYSA-N 361.426 4.098 0 1 FIAF Cc1cc(Br)c2[nH]c(-c3ccccc3/C=C/C(=O)O)nc2c1 586882537 XHZYLWMHDFQAEH-VOTSOKGWSA-N 357.207 4.399 0 1 FIAF Cc1ccc(C)c2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc12 587014621 VDYIHVQRKVIBNI-UHFFFAOYSA-N 358.467 4.328 0 1 FIAF COc1cc(-c2nc3nc(Cl)c[nH]c-3n2)cc(Cl)c1OCC(C)C 587046377 QFFKGBJSAVBRJR-UHFFFAOYSA-N 367.236 4.322 0 1 FIAF COc1cc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2cc1OC 587084448 AQCHCXHLJUPVQM-UHFFFAOYSA-N 366.808 4.358 0 1 FIAF CC(C)Oc1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587155572 OMAMZBPPQDMTJS-UHFFFAOYSA-N 350.191 4.314 0 1 FIAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1 587157706 DXQWEAHKJFEWSR-UHFFFAOYSA-N 372.359 4.430 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(F)c(F)cc2[nH]1 587201551 RUWVRXIYBDTERJ-UHFFFAOYSA-N 353.413 4.422 0 1 FIAF CCc1ccc([C@@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587395346 QESYOTLVLJCUGC-HSZRJFAPSA-N 358.441 4.444 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccccc1)(c1ccccc1)O2 587405027 IOKQPALVODRRDU-QHCPKHFHSA-N 357.409 4.321 0 1 FIAF O=C1C[C@H](c2cnn(CC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587498514 IUPHDWUKXZRPBW-MRXNPFEDSA-N 350.340 4.031 0 1 FIAF COc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCCO2 587535662 MULFOQFNMTWINF-IBGZPJMESA-N 366.413 4.052 0 1 FIAF CC(C)[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCO1 587614068 BKMFKWMPSQTHOJ-ARESOWRYSA-N 368.429 4.174 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1scnc1Cl 587619760 VAJBINZNDUYNHX-SWLSCSKDSA-N 359.790 4.205 0 1 FIAF Oc1c(-c2ccc(I)cc2)[nH]c2cc(F)ccc12 587634730 CRNZAIXFDBBNEA-UHFFFAOYSA-N 353.134 4.284 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ncccc32)N1 587778189 LJGQTYRSMFRFJP-ADLMAVQZSA-N 361.258 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncccc3[nH]2)N1 587802347 LMGWTQSTTGLDIH-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccco2)N1 587828435 NIXCTFCGEQRVPE-QGHHPUGFSA-N 366.230 4.204 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 587828654 PFSFUUDFPBRGMM-ZROXRPGVSA-N 374.297 4.096 0 1 FIAF Cc1cc2c(cc1F)[C@]1(CCOc3cc(Br)ccc31)NCC2 962093931 SAGFXKVFGGCSGH-GOSISDBHSA-N 362.242 4.068 0 1 FIAF CC1(C)CCC2(CC1)N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962699351 JAASYYKZNJMPAH-CQSZACIVSA-N 359.363 4.239 0 1 FIAF C[C@]1(CC(=O)c2cccnc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962714831 RLNMNCZKWNCYOW-KKSFZXQISA-N 370.493 4.073 0 1 FIAF Clc1c(O[C@@H]2CCc3ccccc3C2)ccn2c(CC3CC3)nnc12 1772647811 SDRIEHGRECQMCB-MRXNPFEDSA-N 353.853 4.272 0 1 FIAF N[C@H](Cc1ccccc1)c1csc(N=c2ccc(-c3ccccc3)n[nH]2)n1 1857610144 DMDHKVVKZXBEFF-QGZVFWFLSA-N 373.485 4.008 0 1 FIAF COCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(C(C)(C)C)o2)C[C@@H]1C(C)C 2356317668 KFNXYPNRUINEOY-OKZBNKHCSA-N 363.546 4.000 0 1 FIAF COc1cc2c(cc1C)CCN1Cc3c(ccc(OC)c3OC)[C@@H](C)[C@H]21 2356330788 RJBZUUJYCNBKRV-SPLOXXLWSA-N 353.462 4.237 0 1 FIAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)CC[C@H](NC(=O)C3CCCCC3)[C@H](C)[C@@H]21 2356499990 ODXYRJZINXUHHD-LPPDOSMJSA-N 361.526 4.075 0 1 FIAF CC(=O)OC[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@@H]3C(=O)OC[C@H]3[C@H]12 2356643538 VZBPCACFUSYFQW-JAEJAIIOSA-N 362.510 4.217 0 1 FIAF Fc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccccc23)c(F)c1 2382253805 XJYVLAKGCUCUNA-UHFFFAOYSA-N 367.443 4.083 0 1 FIAF Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1 13559997 IBPJOIOGTFGBRO-UHFFFAOYSA-N 367.412 4.227 0 1 FIAF COc1ccc(-c2nc(CNC(C)=O)sc2-c2ccc(OC)cc2)cc1 13735810 BHZYOKCFUBCZPW-UHFFFAOYSA-N 368.458 4.130 0 1 FIAF CCCN(CC1CC1)c1cc([C@H](O)c2c(C)cc(C)cc2C)nc(C)n1 28360887 DVFGPILWBIGEPI-QFIPXVFZSA-N 353.510 4.418 0 1 FIAF CCC(=O)O[C@H](C)OC(=O)[C@H](C)c1ccc2c(c1)Oc1ccccc1CO2 29221743 YWAQBGVTMMVZGE-KGLIPLIRSA-N 370.401 4.317 0 1 FIAF Cc1cc2c(s1)c1cnn(Cc3c(C)cc(F)cc3C)c(=O)c1n2C 36380382 JQDXXQUXLRDCPP-UHFFFAOYSA-N 355.438 4.062 0 1 FIAF CCC[C@@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 40843550 ASRGIKPNODZIHT-RKNIQEAPSA-N 367.533 4.456 0 1 FIAF Cc1ccc(-c2noc(C3CCN(C(=O)CCC(F)(F)F)CC3)n2)cc1 84538131 MFDDHUFVSSLLCL-UHFFFAOYSA-N 367.371 4.094 0 1 FIAF CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1 84690691 GSTDNNNJOIXTTB-UHFFFAOYSA-N 350.462 4.497 0 1 FIAF O=C(Nc1cncc(Oc2cccnc2)c1)c1cccc(Br)c1 96175649 AZKKOKFQFYORRU-UHFFFAOYSA-N 370.206 4.284 0 1 FIAF Fc1ccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 100107572 LOASXRAPWWMBQD-BKFWDETESA-N 358.460 4.433 0 1 FIAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(/C=C\C(N)=O)cc23)cc1 113890934 PWGQNNXSVJTMRP-XFFZJAGNSA-N 373.500 4.366 0 1 FIAF CC1=C(C(=O)O)C(c2ccccc2)C(C(=O)O)=C(C)N1Cc1ccccc1 142494517 MGALQIASSJXQQG-UHFFFAOYSA-N 363.413 4.003 0 1 FIAF C[C@@H](c1ccc(Br)cc1)N1CC[C@@]2(CCC[C@H](O)C2)OC1=O 142706788 MQYGULPHXXCPNV-YLQAJVPDSA-N 368.271 4.026 0 1 FIAF CCOc1cccc(-c2c[nH]c3ccc(-c4nnc(NC)s4)cc23)n1 145419270 YNQGEMKAJKCOIP-UHFFFAOYSA-N 351.435 4.189 0 1 FIAF COc1ccc(C2=NN(c3nc(O)cs3)[C@H](c3ccc(F)cc3)C2)cc1 169726253 PHXFSWWSQYUKFM-KRWDZBQOSA-N 369.421 4.352 0 1 FIAF CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3cc(F)ccc23)CC1 204950187 WUVPFZWPIXFYSD-UHFFFAOYSA-N 371.500 4.138 0 1 FIAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3cc(OC)ccc3Cl)cc21 205003123 PLGRLUDNAMNAID-UHFFFAOYSA-N 353.809 4.227 0 1 FIAF CC(=O)OC[C@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C(=O)OC[C@@H]3[C@@H]12 238764248 VZBPCACFUSYFQW-GHCIFFJJSA-N 362.510 4.217 0 1 FIAF CCOC(=O)c1cc2c3ccccc3n(Cc3ccc(OC)cc3)c2cn1 473129116 GBZRPTINIRVTPV-UHFFFAOYSA-N 360.413 4.423 0 1 FIAF c1ccc(CCn2cc(-c3c[nH]c4ncc(-c5ccncc5)nc34)cn2)cc1 473150874 MXXBYXMMJAOZLP-UHFFFAOYSA-N 366.428 4.126 0 1 FIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(N)c(N)cc3[nH]2)cc1 586879730 QDKMKGKLXUMUNU-UHFFFAOYSA-N 358.401 4.068 0 1 FIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1OC 586898636 QVXZCUAFRYTAJQ-UHFFFAOYSA-N 374.396 4.398 0 1 FIAF CC(C)[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586990967 PFCLRBRBGZDFQL-HNNXBMFYSA-N 357.409 4.407 0 1 FIAF FC1(F)Oc2cc3nc([C@@H]4SCCc5sccc54)[nH]c3cc2O1 587036614 HPLSKJBNPSUIHX-CYBMUJFWSA-N 352.387 4.325 0 1 FIAF Clc1cccc(-c2cc(-c3nc4c(Br)nccc4[nH]3)n[nH]2)c1 587068688 XABURIXTQRHOKD-UHFFFAOYSA-N 374.629 4.431 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3cscn3)cc1)O2 587412079 GUMFTWHKFUCWMM-LJQANCHMSA-N 366.442 4.319 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(C)cc1OC)CC2=O 587483057 UHAFNIMHOMPKHQ-FQEVSTJZSA-N 356.418 4.377 0 1 FIAF Cc1cc(Cl)cc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587499924 KANNBBLNVIPZJW-NRFANRHFSA-N 367.832 4.340 0 1 FIAF COc1cc(OC)c2[nH]c(COc3cccc(OCC(C)C)c3)nc2c1 587566004 PAZOVCQSJMEOCR-UHFFFAOYSA-N 356.422 4.194 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)C1CC1 587588839 SMHKZXOUUDSDRI-SIKLNZKXSA-N 359.381 4.054 0 1 FIAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C12CCC2 587601326 RZOJVNSRPYYMLH-KGVIQGDOSA-N 366.413 4.072 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(F)cc2Cl)N1 587732388 MEFGGNSDHVZLQU-MLXNANBUSA-N 373.628 4.399 0 1 FIAF CCN(CC)CCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587739200 GNLNXILLOFDNMD-SCLBCKFNSA-N 371.338 4.460 0 1 FIAF CCCCn1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587760270 OTKDIZIHSGXIBH-APPDUMDISA-N 366.278 4.208 0 1 FIAF CC(C)c1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587776566 YAJDFJKUFUKTHU-MGPLVRAMSA-N 364.262 4.125 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3[nH]2)N1 587801463 GRIKJWSWUHUELT-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF COc1cc(OC(C)C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 653667578 VVNBVZQFZHVDJM-UHFFFAOYSA-N 359.407 4.008 0 1 FIAF CCCc1ccc([C@@]2(CC3OCCO3)NCCc3c2sc(C)c3C)cc1 963031324 UAUOCRGBSBJZKR-JOCHJYFZSA-N 371.546 4.470 0 1 FIAF OC12C[C@H]3C[C@@H](C1)CC(NCc1cc(-c4ccccc4Cl)on1)(C3)C2 1772652473 RVRJNXWIUOBIKD-LWYUSKRHSA-N 358.869 4.168 0 1 FIAF COc1cc(F)ccc1-c1csc([C@@H](NC(C)=O)c2cccc(F)c2)n1 61905266 PAHNJBHUPIPAOQ-SFHVURJKSA-N 374.412 4.322 0 3 FIAF O=C(c1cccs1)N1CC[C@H]2[C@H](CCCN2Cc2ccc(F)cc2)C1 199407639 PZYZGRNDUDSEHN-AEFFLSMTSA-N 358.482 4.014 0 3 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049875 IXVBSMCQCSRJDQ-HKUYNNGSSA-N 374.843 4.487 0 1 FIAF COc1ccc(-c2ccc(C(N)=O)cc2)cc1OC1Cc2ccccc2C1 13745209 NCSNXSRDMMPNSI-UHFFFAOYSA-N 359.425 4.007 0 1 FIAF C[C@@H](CCCc1nnn[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1 26716912 GCBAKMOGZCRTOZ-INIZCTEOSA-N 373.460 4.453 0 1 FIAF CO/N=c1/ccn(C2CC2)c2c(F)c(-c3cc(C)nc(C)c3)c(F)cc12 27318162 MLWAOLNIQXNKID-ULJHMMPZSA-N 355.388 4.395 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H](OC)[C@@H](CCCCCCCC(=O)O)OC 33820468 NOFLXSQXUWLFHC-BWHNKTFFSA-N 358.519 4.329 0 1 FIAF CCc1nn(-c2ccccc2)cc1CN1CCC2(CC1)OCc1ccccc12 40862558 XFTTZUDLLNOYGR-UHFFFAOYSA-N 373.500 4.456 0 1 FIAF O=C(c1ccccc1Oc1ccccc1)N(CC1CCC1)[C@@H]1CCNC1 43010926 WQAXZHUMPQMMEW-GOSISDBHSA-N 350.462 4.083 0 1 FIAF CCOC(=O)[C@@H]1CCCN(Cc2coc(-c3ccc(C(C)(C)C)cc3)n2)C1 72183602 LVVOTGJVUIYIGP-QGZVFWFLSA-N 370.493 4.414 0 1 FIAF O=c1ccccn1-c1ccc2c(c1)CNC[C@@H]2c1ccc(Cl)c(Cl)c1 114513894 PILUFBWYZBSMTQ-QGZVFWFLSA-N 371.267 4.379 0 1 FIAF COc1cc2c(Cc3ccc4cccc(N)c4n3)cnc(C)c2cc1OC 145127707 HRHRVUZKLUVCKM-UHFFFAOYSA-N 359.429 4.282 0 1 FIAF Cc1cc(C(=O)Nc2cccc([C@]3(C)CCSC(N)=N3)c2)c(C)s1 147602648 VDAJFIYSGSXGEG-SFHVURJKSA-N 359.520 4.284 0 1 FIAF CCCCOc1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 169726083 IPCIWJQQUNQAEN-ROUUACIJSA-N 364.470 4.097 0 1 FIAF Clc1cncc2nc(CCNc3ccc(Br)cc3)[nH]c12 586996161 SIYZKFWLNDVPMI-UHFFFAOYSA-N 351.635 4.028 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1nc(-c4ccccc4)oc1C)[C@@H](C2)C3=O 587435267 CYIRFMITKYYTBA-KSFYIVLOSA-N 361.397 4.321 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)NC(C)C)cc1)CC2=O 587469696 JUPIKJKIIPZJRO-FQEVSTJZSA-N 367.445 4.189 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(C(=O)O)ccc13)CC2=O 587484426 OZPUJFASMOALGG-LJQANCHMSA-N 365.385 4.231 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C1CCCC1)CC2=O 587485448 WOVZAHQXIGGWEZ-OAQYLSRUSA-N 360.450 4.192 0 1 FIAF C[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C 587517496 OGXCXQYWWUAADA-JLCFBVMHSA-N 371.477 4.299 0 1 FIAF CCCCOC(=O)[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523784 POQWTURDJPDIIZ-XMSQKQJNSA-N 356.462 4.413 0 1 FIAF COc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCO2 587536245 SRFAJMOZRQWPOM-GOSISDBHSA-N 352.386 4.009 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Cl)c1 587551702 IQBHHXQHPRWMTH-LPHOPBHVSA-N 353.761 4.144 0 1 FIAF CCC[C@H](O)[C@@]1(CCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608232 KKEGSZOXRLQPDX-WAOWUJCRSA-N 356.418 4.054 0 1 FIAF Cc1cc(-c2ccnc(-n3ncc4ccc(Cl)cc4c3=O)n2)c(C)s1 587653842 MRLIUWRWPDEOSA-UHFFFAOYSA-N 368.849 4.174 0 1 FIAF CC(C)[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587768986 FRNGFPWLHRHJDU-KPZWWZAWSA-N 363.274 4.417 0 1 FIAF COc1ccc(-c2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)cc1O 587786723 PRFDPQLGGJXQOY-UHFFFAOYSA-N 360.413 4.146 0 1 FIAF COc1cccc2cc3c(nc12)[C@@](c1ccccc1)(c1nccs1)NCC3 963057812 ORSWNQYYDWIFBX-QFIPXVFZSA-N 373.481 4.138 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 1772627106 JFKWTZHKLMYTDF-VBKZILBWSA-N 358.869 4.195 0 1 FIAF O=C1[C@H](Oc2ccccc2)[C@H](c2ccco2)N1c1nc2ccccc2s1 1772630481 WZWAJRXWMJMHGZ-ZWKOTPCHSA-N 362.410 4.425 0 1 FIAF NC(=O)/C(=C\c1ccccc1Cl)n1c(-c2ccco2)nc2ccccc21 1857632572 RANDVYOJHUXIAQ-SFQUDFHCSA-N 363.804 4.433 0 1 FIAF CO[C@@H]1C=C(CC[C@]2(C)[C@H](C(=O)O)CC[C@]3(C)C(C)=CCC[C@@H]32)C(=O)O1 2356733380 RBOVBGSBFUZCEO-XPKAMFKHSA-N 362.466 4.086 0 1 FIAF COc1cccc(-c2nn(C)c3sc(C(=O)N4CCCC[C@@H]4C)cc23)c1 5006890 JMHXYPNOMABFJO-ZDUSSCGKSA-N 369.490 4.325 0 1 FIAF O=C(Nc1nccc2ccccc12)NC1CCN(Cc2ccccc2)CC1 12356218 FDQXLORJWMWFGU-UHFFFAOYSA-N 360.461 4.021 0 1 FIAF COc1cccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)c1 14946602 TUTUPBQGHHAXFQ-UHFFFAOYSA-N 373.416 4.064 0 1 FIAF CC(C)Oc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1F 16052109 LFEVORHDBSIHAI-NRFANRHFSA-N 362.441 4.381 0 1 FIAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@@]21C 17312606 NVFLFMSIUUPFBG-CJMKQAKRSA-N 358.522 4.330 0 1 FIAF biogenic CC(C)c1ccc2oc(N[C@H](CN3CCOCC3)c3ccccc3)nc2c1 28000594 ZEMQFVYTGHVNIP-HXUWFJFHSA-N 365.477 4.437 0 1 FIAF C[C@@H](Nc1nccc(NCCOc2ccc(F)cc2)n1)c1ccccc1 28363048 NBZYCPZRCDIPCI-OAHLLOKOSA-N 352.413 4.280 0 1 FIAF Cc1cccc(-c2nc(Nc3ccncc3)c3cc(N(C)C)ccc3n2)n1 45201530 PMFFTUXIUIRVOK-UHFFFAOYSA-N 356.433 4.205 0 1 FIAF O=C(O)c1cn(C/C=C/c2ccc(Cl)cc2)c2c(F)cccc2c1=O 71335379 DYZZCTWEHLUWPF-NSCUHMNNSA-N 357.768 4.206 0 1 FIAF Cc1c(Cl)cccc1NC(=O)O[C@@](C)(OC1CCCCC1)C(=O)O 72179916 ZPQZWYBLLQRJCS-QGZVFWFLSA-N 355.818 4.347 0 1 FIAF Cc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)NC(=O)CO3)cc1 73197625 GADDPWPWZOYFMH-UHFFFAOYSA-N 373.334 4.197 0 1 FIAF COc1cc([C@@H](C)NC(=S)NCc2ccc(C(C)(C)C)cc2)ccc1O 84690835 KMSGHHGTFHXTFR-CQSZACIVSA-N 372.534 4.424 0 1 FIAF O=C(Nc1ccnc(Oc2cccnc2)c1)c1cccc(Br)c1 96175647 MVDGQGQFJZUWBX-UHFFFAOYSA-N 370.206 4.284 0 1 FIAF CCCC[C@@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl 103277667 KRGXFYLABWOWOW-VIFPVBQESA-N 362.204 4.250 0 1 FIAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2ccc(C)o2)C[C@H]1C 104107151 GHRDEVMKZMPGFZ-RDBACFOTSA-N 366.417 4.468 0 1 FIAF O=C1Cc2ccccc2N1C1CCN([C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 169652632 UXEWRPZUKRZGHB-UCNVEGJOSA-N 352.522 4.399 0 1 FIAF CC(=O)c1ccc(OCc2ccccn2)c(-c2ccc3c(c2)CNCC3)c1 205441559 GXBBCNAVTVALHI-UHFFFAOYSA-N 358.441 4.176 0 1 FIAF CN(Cc1ccccc1)C(=O)C[C@@H](CO)c1ccc(-c2ccccc2)cc1 473159644 XMGILOLXKQTVQQ-QHCPKHFHSA-N 359.469 4.478 0 1 FIAF CCOc1n[nH]c(-c2nc3ccc(Cl)c(C)c3[nH]2)c1Br 586978869 ANWVPOQERRGVTQ-UHFFFAOYSA-N 355.623 4.076 0 1 FIAF COc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1C 587020246 JSIRVXMHUYGEQQ-UHFFFAOYSA-N 374.466 4.274 0 1 FIAF Cc1cnc(Cl)c2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 587080638 RUTCZNRHGLNHJR-GFCCVEGCSA-N 360.248 4.297 0 1 FIAF CCc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132152 LJCUXIZUQMCRBB-GFCCVEGCSA-N 351.397 4.095 0 1 FIAF O=C(O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587162842 KCZMGQZZCSFPPJ-UHFFFAOYSA-N 360.344 4.298 0 1 FIAF COC(=O)c1cccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587225492 LAZGRLOOCUENDQ-OAHLLOKOSA-N 373.453 4.106 0 1 FIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cn1 587247577 PTVOZJQMLDGCOS-UHFFFAOYSA-N 363.343 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(F)cc(F)c(Cl)c1F)[C@@H](C2)C3=O 587422081 BYOMDBGCCIRXRE-QPFGOUBPSA-N 354.711 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCc4cc(SC)ccc41)[C@@H](C2)C3=O 587450349 FMRWVJDYDSQMHO-UWJYYQICSA-N 352.455 4.396 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1F)CC2=O 587464868 BWQMZGLYZFCTLF-KRWDZBQOSA-N 360.381 4.208 0 1 FIAF COc1cc(OC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587521145 AQLUVWZOVMSZKS-LJQANCHMSA-N 368.429 4.298 0 1 FIAF CN(C)CC[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587529685 BBPUUUKSOMANBP-NRFANRHFSA-N 355.503 4.439 0 1 FIAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CC3C[C@H]2CC(C(=O)O)(C3)C1 587531318 YITLTKIJQIBKPC-KOLZVKHKSA-N 366.457 4.180 0 1 FIAF NC(=O)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784116 LRUNYDFUBJAARO-JYRVWZFOSA-N 369.424 4.411 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCCC2OCCO2)N1 587832258 JEFQBAKKPSXRKJ-MEDUHNTESA-N 372.278 4.097 0 1 FIAF CCN1CCN([C@H]2c3ccccc3-c3ccc(Br)cc32)CC1 653701721 SQQYRJKZRCOGDQ-IBGZPJMESA-N 357.295 4.156 0 1 FIAF Cc1ccc(/C=C/C(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1 1772613332 SABFYBYTJQIMDI-RMKNXTFCSA-N 365.864 4.438 0 1 FIAF Cc1ccccc1C[n+]1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 1857537606 KYEOIBNAXBQIIL-UHFFFAOYSA-N 372.444 4.325 0 1 FIAF O=c1c(C2CC2)cc(-c2ccc(F)nc2F)nn1Cc1ccc(Cl)cc1 1911585254 XJSPPCJWSNOQEH-UHFFFAOYSA-N 373.790 4.163 0 1 FIAF C[C@@H](c1ccccc1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)CCC[C@@H]21 6487642 UEVURCQRNLWTCZ-RJZVVRIISA-N 363.457 4.314 0 1 FIAF CCOc1cc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)ccc1O 11768252 PGSZIZOJQDEGHC-HNNXBMFYSA-N 351.450 4.136 0 1 FIAF CCCCCCNC(=O)c1cc(/C=C\c2cc(O)ccc2O)ccc1O 13518040 LGRRPYSGGSQIGB-VURMDHGXSA-N 355.434 4.284 0 1 FIAF CCCc1cc(=O)oc2c3c(c(C(=O)C(C)C)c(O)c12)OC(C)(C)C=C3 14586035 QPGVMBKJECZCKK-UHFFFAOYSA-N 356.418 4.474 0 1 FIAF endogenous,in-man Cc1ccccc1N1CCN(Cc2cccc([C@@H](O)c3ccccc3)c2)CC1 27421381 LZRZZVVCEUJCBJ-VWLOTQADSA-N 372.512 4.399 0 1 FIAF COc1ccccc1N1CCN(Cc2cccn2-c2ccccc2C)CC1 28120495 NJTNRHALLBWCLO-UHFFFAOYSA-N 361.489 4.117 0 1 FIAF CC(C)(C)c1ccc(OCc2ccccc2)c(C[C@H]2SC(=O)NC2=O)c1 28371823 DJGQRUNPQRHQOV-GOSISDBHSA-N 369.486 4.457 0 1 FIAF Cc1cc(C)c(/C=C/[C@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)c(C)c2)c1 29476566 BNIBDNOALUGLCI-VGRIIWOTSA-N 354.421 4.498 0 1 FIAF C[C@@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 40472108 CEQYMIBPHSHBNB-MBRWJGGISA-N 356.462 4.076 0 1 FIAF CC(=O)Oc1ccc(/C=C/COC/C=C/c2ccc(OC(C)=O)cc2)cc1 70455130 WQJYZRMAVNXXHE-GGWOSOGESA-N 366.413 4.280 0 1 FIAF biogenic,in-vitro CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3ccc(F)cc3)n2)C1 82068878 SXSWVECQIWYIBY-YWZLYKJASA-N 359.445 4.397 0 1 FIAF COCCn1c(-c2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179069 NLRAUMUSOUJCHG-UHFFFAOYSA-N 373.460 4.060 0 1 FIAF Fc1ccc(COc2nc3c(Cl)ccc(Cl)c3n3cnnc23)cc1 84709827 GNFCTMOROMFZGR-UHFFFAOYSA-N 363.179 4.302 0 1 FIAF Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)NCc4ccccc4)cc23)c1 84711593 ZYXYRQUJGQCPDJ-UHFFFAOYSA-N 371.440 4.098 0 1 FIAF O=C(C1CCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21 95664323 QALZOEWRLMFCQS-BVYCBKJFSA-N 366.505 4.120 0 1 FIAF CCc1nc(Nc2ccc(CC(=O)O)cc2)nc(-c2cccc(Cl)c2)n1 143284732 LSISWCNURZLKQY-UHFFFAOYSA-N 368.824 4.125 0 1 FIAF N#Cc1c(-c2ccc(Cl)cc2)c(C(=O)N2CCCCC2)c(N)[nH]c1=S 211064051 FGUOLQQJGDWFJU-UHFFFAOYSA-N 372.881 4.145 0 1 FIAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](O)(c1cccc3ccccc13)C(=O)N2 219520285 OWYMGNIFOKMLPD-QHCPKHFHSA-N 370.408 4.300 0 1 FIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(C(=N)N)cc3[nH]2)c1 586882453 UERDMHHHARKJFI-UHFFFAOYSA-N 368.440 4.362 0 1 FIAF CC(=O)c1ccc2nc(COc3ccc(Br)cc3C)[nH]c2c1 586980638 CCDCLLFBNMAYFS-UHFFFAOYSA-N 359.223 4.415 0 1 FIAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 587011252 IXOXRRMWNXVPIO-UHFFFAOYSA-N 367.405 4.423 0 1 FIAF N[C@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccccc1Cl 587058370 UNMBNHIOLGTDIS-GFCCVEGCSA-N 350.647 4.221 0 1 FIAF Cc1nc2[nH]c([C@@H](C)Oc3ccc(F)cc3)nc2cc1Br 587168532 IOZMFBFZIRBWPP-SECBINFHSA-N 350.191 4.308 0 1 FIAF C[C@@]1(c2ccc(F)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339678 SKBRXIKABJVHBB-CTNGQTDRSA-N 367.351 4.340 0 1 FIAF COC[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344521 CZZOVWJTKKPKKS-CTNGQTDRSA-N 356.393 4.076 0 1 FIAF C[C@]1(C[C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356414 JRASYXJQCDBBPT-LKUPVBHCSA-N 356.393 4.218 0 1 FIAF CCCC[C@]1(c2ccc3c(c2)OCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453482 OWTAMGGVRFKQJX-OPAMFIHVSA-N 366.413 4.257 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCCCC3)s1)CC2=O 587497612 XLLJLMRBEVNHFV-KRWDZBQOSA-N 372.490 4.498 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2F)N1 587725080 NEVVJJMURYKNCN-HUTHGQBESA-N 368.221 4.231 0 1 FIAF CCn1c(C)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587755318 OSNDZGDHVCXFQJ-QGHHPUGFSA-N 351.263 4.342 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3nccc-3c2)N1 587800113 AAVDEOMEGGKXGN-YPMLDQLKSA-N 374.257 4.214 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CC(C)(C)C2)N1 587823759 RKFGEAZJRXHXRD-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(C)(C)CCC(=O)O)N1 587828737 PNMRJRNDJMTOET-BTDLBPIBSA-N 372.278 4.229 0 1 FIAF Oc1ccc(OCc2ccccc2)n1NCc1ccccc1Br 587941751 VKKXCIVTQUVRKS-UHFFFAOYSA-N 373.250 4.279 0 1 FIAF Cc1c(F)ccc2c1[C@](CCCC(=O)O)(c1cccc(F)c1F)NCC2 962376839 RDYYCUNPOJFZHW-FQEVSTJZSA-N 363.379 4.057 0 1 FIAF CCOC(=O)[C@]12CCCC1=C[C@]1(C2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962956950 ZCWOSICRZNYGPM-IRBZQWRBSA-N 364.489 4.351 0 1 FIAF CCOC(=O)CN[P@](=O)(COC)Oc1c(C(C)C)cccc1C(C)C 1772587693 PRZANMBXKHVQRF-VWLOTQADSA-N 371.414 4.262 0 1 FIAF FC(F)(F)c1ccc(C2(Nc3nc(Cl)nc4n[nH]cc34)CC2)cc1 1857644628 NFRLPPZMBPDGMI-UHFFFAOYSA-N 353.735 4.126 0 1 FIAF C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 1857753943 PINKRXOMNSPOQD-YJTCDNBRSA-N 367.533 4.449 0 1 FIAF CC(=O)O[C@@H]1C=C(C)CC[C@@H]2[C@@](C)(CC=C(CO)C1)CC[C@@]2(O)C(C)C 2356439157 GKQBGOCRINYHSS-YUMYIRISSA-N 364.526 4.161 0 1 FIAF COC(=O)c1ccc2nc(-c3ccco3)c(Cc3cccc(F)c3)n2c1 72139361 XCXRKNYLLJVANZ-UHFFFAOYSA-N 350.349 4.111 0 3 FIAF O=C(c1noc2c1CCc1sccc1-2)N1CC=C(c2ccccc2)CC1 15733262 VRSLVANJDBTIDL-UHFFFAOYSA-N 362.454 4.431 0 1 FIAF CCOC(=O)[C@@H]1Cc2cc3c(-c4ccccc4F)noc3c(Cl)c2O1 25975123 ODKOZWXWRJFWHG-ZDUSSCGKSA-N 361.756 4.154 0 1 FIAF C[C@]12CO[C@H](C1)[C@H](COCc1ccccc1)[C@H]2C/C=C/CCCC(=O)O 26013240 UBCWSGJBNGDBOC-FLHFUGBKSA-N 358.478 4.446 0 1 FIAF CCCCCCC(=O)OC[C@@]1(CO)C/C(=C/[C@H](CC)CCCC)C(=O)O1 40914987 YFGRZJGPRQXMTL-ZNTOPRRNSA-N 368.514 4.321 0 1 FIAF COc1ccc2cc([C@@H](OC)c3cc(OC)c(OC)c(OC)c3)oc2c1 45364239 WTQLRNYMPVOAIO-IBGZPJMESA-N 358.390 4.203 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 82142099 GDSMGVSROVZFDH-LZWOXQAQSA-N 356.470 4.256 0 1 FIAF CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccc(O)cc1 103175641 FZCBKGWRPQYFJP-SFHVURJKSA-N 366.442 4.252 0 1 FIAF CCCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC 103543914 JLDPHOCHMAXZQH-IBGZPJMESA-N 355.434 4.457 0 1 FIAF FC(F)(F)c1cccc(CN2CC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114332319 PLCVJJUVIKQFPG-KRWDZBQOSA-N 360.383 4.268 0 1 FIAF Cc1cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2cc1Br 586916680 SIKUSUMOAGONIP-UHFFFAOYSA-N 355.191 4.407 0 1 FIAF CC(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587004610 XWCAZLSOVYDGLU-UHFFFAOYSA-N 355.195 4.071 0 1 FIAF Cc1c(Br)ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c12 587164163 RNCQAUIEALZOQS-INIZCTEOSA-N 362.246 4.424 0 1 FIAF Oc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587184722 UZCFFLOAWAGMJP-DAXSKMNVSA-N 362.170 4.044 0 1 FIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)c(O)c1 587241360 ZQXTZNJVVQCRJP-UHFFFAOYSA-N 357.413 4.425 0 1 FIAF Nc1cc(C(=O)O)cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587248638 ABOOOPNIHOESQP-UHFFFAOYSA-N 353.325 4.122 0 1 FIAF CCCCn1nc(C(F)(F)F)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587381974 JMWVBELRHQSVBX-OAHLLOKOSA-N 367.371 4.299 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccc(O)cc1)O2 587405790 YJHRBQOZSIQTCD-HSZRJFAPSA-N 359.425 4.386 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](c3nccn3C)C1)CC2=O 587471305 PPKNNAFEVZPHMK-SZNDQCEHSA-N 354.450 4.140 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc3c1OCOC3)CC2=O 587473221 YOQDYKDGBKTKNV-GOSISDBHSA-N 358.365 4.057 0 1 FIAF CO[C@H](C)c1ccc([C@@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507097 AGDOQAVUFGMWNX-CMJOXMDJSA-N 365.473 4.092 0 1 FIAF CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)C1 587524373 NGLRRWLESLRZAM-PGKMIFDNSA-N 356.462 4.269 0 1 FIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1C(C)C 587582088 NUYSNOUCQRCPOV-RXVVDRJESA-N 364.401 4.181 0 1 FIAF Cc1cccc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn12 587590642 ZLXLDFIWGGEFSY-UGKGYDQZSA-N 372.380 4.051 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2ccccc2)N1 587816380 XKVJWFIVWHFFCQ-BBATYDOGSA-N 362.242 4.221 0 1 FIAF CC(C)[C@H]1C[C@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587833474 NHTLEMZBBWNOJF-ZLENFMNRSA-N 356.279 4.153 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1nc2cc(F)ccc2s1 963609167 MJMZAYYFPLSVEO-XTZNXHDOSA-N 358.438 4.076 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cn(CCF)c2ccccc12 963634136 JQVDMMWKPAOXPH-JLCFBVMHSA-N 368.452 4.252 0 1 FIAF Cc1cccc2c1[C@@](C)(C(F)F)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841661 QJKAOHXIYBTZAI-YJYMSZOUSA-N 369.408 4.112 0 1 FIAF COC(=O)[C@@H]1CC[C@H]2[C@]3(CC[C@H]4C(C)(C)CCC[C@]42C)[C@@H](OC)OC[C@@H]13 2356376006 LAVQAESMCHBXRC-FTOYBKHZSA-N 364.526 4.417 0 1 FIAF CCCC(=O)c1c(O)ccc([C@H]2CC[C@H](O)c3cccc(OC)c32)c1O 2356848318 PDNKITHXMWOSQS-DOMZBBRYSA-N 356.418 4.048 0 1 FIAF O=C(NC1CCCCCCC1)[C@@H]1c2ccccc2C(=O)N1Cc1ccco1 2912871 CZHKNIVNMCJKFB-FQEVSTJZSA-N 366.461 4.206 0 3 FIAF COc1cc(-c2coc3c(C(=O)NCc4ccncc4)cccc23)ccc1O 61908578 GHQVPXMKBRULBL-UHFFFAOYSA-N 374.396 4.139 0 3 FIAF CCc1nn(C2CCCCC2)c2c1CCN(c1cccc(OC)c1)C2=O 1540717 HRVGXJYBJMMTEJ-UHFFFAOYSA-N 353.466 4.162 0 1 FIAF CSc1c(C(=O)Nc2ccc(Cl)cc2)c(N)nn1-c1ccccc1 1858389 HHGFZWAYLYIYPZ-UHFFFAOYSA-N 358.854 4.082 0 1 FIAF O=C(N/C(=C/c1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccccc1 5729004 SIOVYUJITBWIAU-XSFVSMFZSA-N 355.397 4.197 0 1 FIAF COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)[C@@H](C)C2 14641060 QHLOLFAIJRCECK-PVUDRZGPSA-N 358.434 4.084 0 1 FIAF biogenic,in-vitro CC1CCC(Nc2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)CC1 32943597 RIICFGUXCKIGLU-UHFFFAOYSA-N 373.522 4.010 0 1 FIAF CC(=O)O[C@@H](C(C)=O)[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 36107747 UNBBTEFWSPALIQ-REGVOWLASA-N 358.478 4.019 0 1 FIAF Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C(C)C 36380227 XEXGEXOUBHBVHQ-UHFFFAOYSA-N 355.438 4.489 0 1 FIAF CC(C)C1(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)CCCCC1 38147586 NSEZFRRUDHGUMJ-HXUWFJFHSA-N 354.538 4.341 0 1 FIAF CCCCCc1cc(O)c(C/C=C(\C)CC[C@@H](O)C(C)(C)O)c(O)c1 40835091 OWSPBIWYEIHDKZ-YWMGUWEJSA-N 350.499 4.231 0 1 FIAF CN1CCN(c2ccc3nc(Cc4ccc5ccccc5c4)[nH]c3c2)CC1 45245521 YGHQBPJCQBLHDS-UHFFFAOYSA-N 356.473 4.059 0 1 FIAF Cc1c(Cc2ccccc2)nc(SCCCc2ccccc2)[nH]c1=O 49125568 ARCADXDABKAHPL-UHFFFAOYSA-N 350.487 4.394 0 1 FIAF COc1ccc(OC)c(CCNc2cncc(Oc3cccc(F)c3)n2)c1 82068523 RKLINFONPDHFFD-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF COc1ccc(-c2cc(NCC3CCCCC3)ncn2)c(OC)c1OC 82160314 WMWVFSVGMJDPAH-UHFFFAOYSA-N 357.454 4.162 0 1 FIAF CCC(CC)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CCOC 82186001 VHKOWWOCMDHHJV-UHFFFAOYSA-N 371.460 4.128 0 1 FIAF CC(C)n1c(Nc2cccc(C(F)(F)F)c2)nc2cc(C(N)=O)ccc21 82191523 VFAWLCJMRNODLC-UHFFFAOYSA-N 362.355 4.479 0 1 FIAF NCCN1[C@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101061047 HKONLYZKJHOXAP-PMACEKPBSA-N 372.459 4.025 0 1 FIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CCC[C@H](C(=O)OC)[C@@]12C 238755313 GQMLMDPVGSEQPG-VXINTPKYSA-N 360.450 4.290 0 1 FIAF CO[C@H]1CC[C@H](Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1 299824914 FBQBEGGSOHQPPV-WKILWMFISA-N 356.857 4.419 0 1 FIAF COc1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2n1 586995379 GBHDHPPLRKQPRO-UHFFFAOYSA-N 362.227 4.043 0 1 FIAF CC(=O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587004870 ASBWQNQDFCXNNE-UHFFFAOYSA-N 350.603 4.243 0 1 FIAF Brc1nccc2nc([C@H]3SCCc4sccc43)[nH]c12 587036652 IKMPZHAZIXDUPS-NSHDSACASA-N 352.282 4.161 0 1 FIAF COC(=O)C[C@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587098359 QNUMLVPOPFITPI-CYBMUJFWSA-N 357.409 4.348 0 1 FIAF COc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587115764 ALVSFRNCWURGKL-UHFFFAOYSA-N 372.144 4.415 0 1 FIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)cnc2[nH]1)C(C)(C)C 587202585 BLVSNXJSUGRDAH-GFCCVEGCSA-N 352.866 4.093 0 1 FIAF CC(C)N1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587344322 NJFRWYLPZKMONO-IRLDBZIGSA-N 369.436 4.133 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC1CCCCC1)(c1ncccn1)O2 587393720 KPUSPHDZUJVCOI-OAQYLSRUSA-N 351.450 4.198 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C)c(Br)c1)[C@@H](C2)C3=O 587411534 DFOWYTHIGOSFFK-IFXJQAMLSA-N 373.246 4.429 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)c(N4CCCC4)cc1C)[C@@H](C2)C3=O 587422503 DZZIROAIOZEACX-AOMKIAJQSA-N 367.420 4.232 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1sc(C(C)(C)C)nc1C)[C@@H](C2)C3=O 587453193 VRQSKQNLXCVSNK-RBZFPXEDSA-N 357.475 4.420 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc([C@H]3CCCO3)s1)CC2=O 587494102 IEZUZAYJBYLRAP-CVEARBPZSA-N 359.447 4.359 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1F 587566955 CNQJVEQWILLSBK-PXNSSMCTSA-N 354.308 4.373 0 1 FIAF COc1cccc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)n1 587623765 OYJOTHOUIKIIJB-UHFFFAOYSA-N 357.211 4.186 0 1 FIAF COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2cc(Cl)c(F)cc12 587629529 UKNIFTBYRZQANT-UHFFFAOYSA-N 367.710 4.261 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(Cl)ccn1 587653119 DEWNZUFXKJJBHZ-UHFFFAOYSA-N 369.758 4.379 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N)c(Cl)c2)N1 587694300 LDOYKIVWNSZDLT-VPTHRUTESA-N 369.665 4.447 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(F)cccc32)N1 587740557 YKADIZXQBKPJGJ-MGNBDDOMSA-N 364.233 4.451 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nccnc23)N1 587776500 DIMLXXFBKQRARX-MGNBDDOMSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccoc3cn2)N1 587778389 MRQMJOVZLANVTE-VVVCHXIZSA-N 361.214 4.353 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccoc3cn2)N1 587778391 MRQMJOVZLANVTE-XYZCENFISA-N 361.214 4.353 0 1 FIAF CCOc1ccc(OCC)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587779154 YDEKBISOZWKYJY-UHFFFAOYSA-N 354.406 4.189 0 1 FIAF CCC[C@@]1(CC(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587815946 RPFOBPVBLOMABZ-ZMZPIMSZSA-N 368.290 4.487 0 1 FIAF Cc1cc(OC(C)(C)C)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O 587945395 OCTRPYLRXOLYIH-CQSZACIVSA-N 354.353 4.302 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(OCc2ncon2)cc1 963236167 XOAUGDLGBAJWRS-OPAMFIHVSA-N 363.461 4.395 0 1 FIAF Cc1cc2ncccc2cc1[C@H](C)n1cnc2ncc(-c3ccncc3)nc21 1857617989 BTEUNJHHSXFPQB-HNNXBMFYSA-N 366.428 4.354 0 1 FIAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@@H]1[C@H]1CCCCCC(=O)O1 2356451922 WNTDPCKCELJDEM-XDWAVFMPSA-N 364.526 4.303 0 1 FIAF CCCCC(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 2456422 SCESQZQXKBZACK-HXUWFJFHSA-N 358.388 4.025 0 3 FIAF O=C(NCCc1ccccc1)c1cccnc1SCc1cccc(F)c1 6947857 ZGQBKVHMLCQWMM-UHFFFAOYSA-N 366.461 4.486 0 1 FIAF Cc1ccc([C@@H]2c3c(O)nc(S)nc3N=C3CC(C)(C)CC(=O)[C@H]32)cc1 8762834 QPHLIVHZAGSWHB-GJZGRUSLSA-N 367.474 4.003 0 1 FIAF CCCCOc1c(C(=O)c2c(F)cc(Cl)cc2F)cnc2n[nH]cc12 13535796 KHLSGMMGWBAAOY-UHFFFAOYSA-N 365.767 4.299 0 1 FIAF O=c1cc(N2CCOCC2)oc2c(-c3cccc4ccccc34)cccc12 13677225 ZMGIMEMMPMEFQS-UHFFFAOYSA-N 357.409 4.450 0 1 FIAF C[C@H]1CC[C@@H](C)N1CCCNC(=O)C(c1ccccc1)c1ccccc1 13755517 QTFOYIFTXHRBDC-KDURUIRLSA-N 350.506 4.198 0 1 FIAF CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccncc2)/C1=C(\O)OC(C)C 26569349 RECAQTYPABAFNL-BDBAMQCISA-N 358.438 4.060 0 1 FIAF CCn1c2c(c3cc(OC(C)=O)ccc31)CCc1cc(OC(C)=O)ccc1-2 27304363 GYSNLFNIGZASPF-UHFFFAOYSA-N 363.413 4.277 0 1 FIAF CCCc1c(OCCCCCCCCc2nnn[nH]2)ccc(C(C)=O)c1O 27728431 DJSOLURLLLPFKJ-UHFFFAOYSA-N 374.485 4.023 0 1 FIAF CCCC[C@H](O)CSC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28097288 HUOIPUKSNAXOPY-CYHYNSQESA-N 370.555 4.266 0 1 FIAF Cc1cccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(C)s3)n2)c1 35310327 MALNQGDQKFOVDK-OAHLLOKOSA-N 353.447 4.392 0 1 FIAF CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)Oc2c(C)c(C)cc(C)c21 40899096 MUHGROROZPTGFA-FQEVSTJZSA-N 366.505 4.420 0 1 FIAF CCCNc1nccc([C@H]2CCCN(CCc3c[nH]c4ccccc34)C2)n1 40900032 IEGZIQZAYQOURF-SFHVURJKSA-N 363.509 4.202 0 1 FIAF in-vitro c1ccc(CCNc2nc(NCCc3ccccc3)c3cccnc3n2)cc1 72140826 QBUQUMHRNXSLOG-UHFFFAOYSA-N 369.472 4.334 0 1 FIAF CCOC(=O)COc1cccc(-c2cccc(-c3csc(N)n3)c2)c1 95559049 GIJVRKSLYRYCRH-UHFFFAOYSA-N 354.431 4.001 0 1 FIAF COc1cc(OC)c(C(=O)c2cccc(Cl)c2)c(O)c1Br 103201808 UGAQLDFAPGIKFM-UHFFFAOYSA-N 371.614 4.056 0 1 FIAF Cc1cc(C)n2nc(SCc3nc(-c4ccccc4F)cn3C)nc2c1 113420433 QOODWVLFSVPCDI-UHFFFAOYSA-N 367.453 4.178 0 1 FIAF CN1Cc2cc(N3CCOCC3)ccc2[C@H](c2ccc3ccsc3c2)C1 150078116 RAPYOTFVDQSFNZ-NRFANRHFSA-N 364.514 4.315 0 1 FIAF O[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 169330933 LHZGTDYRIFFIRQ-RPWUZVMVSA-N 364.533 4.412 0 1 FIAF CSC1=N[C@H]2c3ccccc3SCCCCCOC(=O)[C@H]2C(C)=N1 169713999 LUAAYKIXNWOEMY-HOTGVXAUSA-N 362.520 4.357 0 1 FIAF Clc1ncnc2c1ncn2C[C@@]12CC[C@@H](O1)c1cc3ccccc3cc12 199434254 DYXDFNOFUWVATL-OXQOHEQNSA-N 362.820 4.394 0 1 FIAF COC(=O)C(F)(F)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586994339 YVAIFQVCAUWRRN-UHFFFAOYSA-N 367.351 4.328 0 1 FIAF Cc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587002698 MPFBOZPDZZLFEN-UHFFFAOYSA-N 355.239 4.226 0 1 FIAF COc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1OC 587006097 HBDOITNUWULWRI-UHFFFAOYSA-N 372.222 4.262 0 1 FIAF Nc1ccc(-c2ccc3[nH]c(-c4n[nH]c5c(F)cccc45)nc3c2)cc1N 587175767 AWVALVQGDZXGDI-UHFFFAOYSA-N 358.380 4.077 0 1 FIAF O=C(O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195727 JGOGSIRYHCROKM-UHFFFAOYSA-N 357.413 4.468 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@H]2c3c(nc4cccc5c4c3CC5)C[C@H]2C1 587212850 RLBUWAATFLORSE-LSDHHAIUSA-N 350.462 4.230 0 1 FIAF O=C(/C=C\c1nc2cc(F)cc(Br)c2[nH]1)Nc1ccccc1 587244954 SQVTZZOAMCQAHM-SREVYHEPSA-N 360.186 4.116 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1N1CCCCCC1)[C@@H](C2)C3=O 587440717 BRIUUUFQAUSALH-KPLVRAHFSA-N 355.478 4.000 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(OC)cc(C)cc31)CC2=O 587483259 FBTFFXSVJIAVSH-QFIPXVFZSA-N 368.429 4.305 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587517964 YBRHDGDANLJOTC-KXBFYZLASA-N 371.477 4.156 0 1 FIAF C[C@@]1(c2ccc(O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556893 KWOQWGAOVFPVOM-NQIIRXRSSA-N 366.344 4.114 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccccc1F 587569617 RMCZFYXIRFUMCJ-AZUAARDMSA-N 364.372 4.494 0 1 FIAF CC(C)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587579323 DHIQGAPNAVCLLD-GHTZIAJQSA-N 364.401 4.047 0 1 FIAF Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 587624770 UUJWPMDRDHGHTD-UHFFFAOYSA-N 355.747 4.421 0 1 FIAF CCOc1ccnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587769481 GIJMRFZDAPRPAJ-BMLIUANNSA-N 365.246 4.006 0 1 FIAF Cc1cccc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn12 587776009 VKWWOUNEAZAGFM-MGNBDDOMSA-N 374.257 4.168 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ncccc23)N1 587805198 SIVLLDRFANPNKK-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF Cc1nc(-c2cccnc2)nc(-n2nc3cc2Oc2ccc(F)cc2-3)c1C 587874509 DQSIDXGLTDSDON-UHFFFAOYSA-N 359.364 4.253 0 1 FIAF COc1ccc(OC)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1OC 587924851 ANUAYNURRROZKC-UHFFFAOYSA-N 354.740 4.187 0 1 FIAF CC(C)c1nc(-c2nnc(C3CCN(C4CCC4)CC3)o2)c2ccccn12 653788064 ZFXPLSPARWTGJB-UHFFFAOYSA-N 365.481 4.240 0 1 FIAF Clc1ncc2c([C@@H]3c4ccsc4CCN3Cc3ccco3)cnc-2[nH]1 962705935 GITCPFMWJUAAHS-INIZCTEOSA-N 370.865 4.365 0 1 FIAF Cc1cc(C)cc(-c2cc([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)on2)c1 963027398 NWPSKHRYWNYOEH-HJPURHCSSA-N 373.456 4.101 0 1 FIAF CCN(CC)c1nc(C)nc2c1sc(=N)n2-c1c(C)cc(C)cc1C 1857633493 PYXDHSORGGMBPL-UHFFFAOYSA-N 355.511 4.041 0 1 FIAF CC[C@@H]1[C@@H]2CCCC[C@H]3[C@@H]2[C@@H](C[C@H]3[C@@H]2C[C@H](C)C(=O)O2)[C@@H]2[C@@H](C)C(=O)O[C@H]12 2356346631 VLCNUQYQHZUOOD-DEZWRKQHSA-N 374.521 4.214 0 1 FIAF C[C@]12CC[C@H]3O[C@@H](Cc4ccccc4)OC[C@]3(C)[C@H]1CC[C@@H]1OC(=O)C[C@H]12 2356835663 KTVLKRWPABHONN-GLMGGMOVSA-N 370.489 4.119 0 1 FIAF COCCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1 2382223466 FTDHXQPBDHXEIH-YFXJRYMSSA-N 359.554 4.346 0 1 FIAF Cc1ccc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)cc1Cl 2382251588 CWAFTKVJKWUXNJ-UHFFFAOYSA-N 371.293 4.112 0 1 FIAF N[C@H](CCc1ccccc1)c1csc(Nc2nncc3ccccc23)n1 61897217 LEIUHFGODFCKDR-QGZVFWFLSA-N 361.474 4.463 0 3 FIAF Cc1c(-c2coc(-c3ccc(Cl)cc3)n2)c(=O)n(-c2ccccc2)n1C 1632332 FROFRBFCUPXOOR-UHFFFAOYSA-N 365.820 4.460 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\N1CCCC1)C2=O 13597348 BLPWZFDTYUVONX-QQWYABNWSA-N 369.549 4.469 0 1 FIAF COc1ccc([C@H]2COc3c(ccc(O)c3CC=C(C)C)C2)c(OC)c1O 14762822 WEMQLGFQFNBABO-OAHLLOKOSA-N 370.445 4.342 0 1 FIAF biogenic Clc1ccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)cc1 26498789 QEOQHUHURUYJJO-UHFFFAOYSA-N 370.924 4.420 0 1 FIAF CCc1nc(NCCc2ccc(OC)cc2)cc(-c2cccc(OC)c2)n1 35996391 UHCMTJMNYLBSAI-UHFFFAOYSA-N 363.461 4.378 0 1 FIAF COc1cc(C)ccc1C(=O)Nc1ccccc1-c1nc2ncccc2[nH]1 40395750 DHKYCHFNUPOQQU-UHFFFAOYSA-N 358.401 4.194 0 1 FIAF O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2sccc2c1 43024938 RXPBJKRWQYAHSE-UHFFFAOYSA-N 363.486 4.159 0 1 FIAF CCCCNCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 45352872 GHHWVGAMNAXLDT-UHFFFAOYSA-N 367.445 4.324 0 1 FIAF N=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C/C=C\c1ccccc1 64237824 NOIOXZRWUVPEHK-RAXLEYEMSA-N 367.452 4.010 0 1 FIAF COc1ccc(Nc2nc(-c3cccc(OC)c3OC)no2)cc1Cl 71928090 MVHNFCWMHNADJI-UHFFFAOYSA-N 361.785 4.159 0 1 FIAF O=c1c2ccccc2nc2sc(Nc3cccc(-c4ccncc4)c3)nn12 72138563 LTGUENZHYSDTCS-UHFFFAOYSA-N 371.425 4.110 0 1 FIAF COc1cc(OC)cc(-c2cc3cc4c(cc3o2)O[C@@H](C(C)(C)O)C4)c1 72176491 NQUPJFXAERIMOG-HXUWFJFHSA-N 354.402 4.191 0 1 FIAF biogenic Cc1cccc(C)c1Nc1nnc([C@H](O)c2cccc(N(C)C)c2)s1 82078337 KMFAFEUYQOJFPL-QGZVFWFLSA-N 354.479 4.046 0 1 FIAF CCC(CC)c1nc2c(NCC(C)C)ncnc2n1CC[C@H]1CCCN1C 82178166 QJVAKAROZNXLQH-QGZVFWFLSA-N 372.561 4.282 0 1 FIAF COc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cnc2N)cn1 95578011 AXEKVPBUGPGISS-UHFFFAOYSA-N 361.323 4.300 0 1 FIAF Cc1c(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)cnn1C 96282210 OKOXWCCKGYHZDX-UHFFFAOYSA-N 361.430 4.396 0 1 FIAF CN(C(=O)c1ccccn1)c1ccc(OCc2ccc3ccccc3n2)cc1 96914930 AUROQDMMKOWHNQ-UHFFFAOYSA-N 369.424 4.485 0 1 FIAF C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102048644 RZMHSHIIWPYBCZ-UXPWSPDFSA-N 365.473 4.289 0 1 FIAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ncco2)c1 113762280 XKSKJMPTCDAQJB-OAHLLOKOSA-N 350.418 4.082 0 1 FIAF CCN(CC)CCN1CCSc2cc(NC(=N)c3cccs3)ccc21 113971787 KVJVXERVBNBTLK-UHFFFAOYSA-N 374.579 4.439 0 1 FIAF C[C@H]1CC[C@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 169372232 SGGGMRQESKILIB-NGQOLSHVSA-N 370.489 4.466 0 1 FIAF C[C@@H](O)/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O 169622221 FRJZMMUVPROLHN-KZPAZRNKSA-N 360.494 4.491 0 1 FIAF CN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ccc2c1)C1CC1 205434157 VPXQOCGZRDUCFL-UHFFFAOYSA-N 358.401 4.075 0 1 FIAF CCN(CC)C(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224756921 BRJVWARSZWUYKA-UHFFFAOYSA-N 364.424 4.014 0 1 FIAF COC(=O)C[C@@]1(C)CC[C@]2(O1)C(CO)=CC[C@@H]1C(C)(C)CCC[C@]12C 238739534 ZGAUBBFDXXEMAC-OTNPHJDUSA-N 350.499 4.012 0 1 FIAF CC(C)n1nc(Nc2cc(C(F)(F)F)ccn2)cc1C1CCNCC1 263621115 VBUUATKGJOATLP-UHFFFAOYSA-N 353.392 4.088 0 1 FIAF in-vitro Cc1c(Br)cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1C 587157949 VWVPHTKTAOTUPH-XIKOKIGWSA-N 374.257 4.423 0 1 FIAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(Br)c(C)c2[nH]1 587238391 CZADUABUYYUAHK-UHFFFAOYSA-N 359.227 4.100 0 1 FIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cn1 587247408 LDYNHRUJFOQYPD-UHFFFAOYSA-N 364.236 4.311 0 1 FIAF C[C@]1(C[C@H]2CCCCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351213 ZGSCRNKKMJCMIQ-QGCDCVKKSA-N 369.436 4.181 0 1 FIAF CC(C)O[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587359053 ZLMUQCIUEPRZDT-SBHAEUEKSA-N 356.393 4.216 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccccc3Cl)c1)O2 587379426 UUXGKZLBLKCIGZ-GOSISDBHSA-N 353.809 4.123 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(CN3CCCC3)cs1)O2 587409553 HZTVUQDXWQCSPV-FQEVSTJZSA-N 356.491 4.115 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCSc4c(Cl)cccc41)[C@@H](C2)C3=O 587454388 XCFHAXKCCRCPKY-DJJJIMSYSA-N 358.846 4.487 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccnc1Br)CC2=O 587461761 YSZCASQQMHKXHA-HNNXBMFYSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1nccn1Cc1ccccc1)CC2=O 587471465 RCDVGHLBTGWIED-HXUWFJFHSA-N 362.429 4.296 0 1 FIAF CC1(C)Cc2sc(=N)[nH]c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587537112 ARRXEXJUUSAOJB-NRFANRHFSA-N 368.502 4.268 0 1 FIAF Cc1ccncc1CC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585732 HGVKXOFYIUOGHW-ICSRJNTNSA-N 361.397 4.059 0 1 FIAF O=C(NC1CC1)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(F)ccc12 587632742 JZRLSWZAENVFJA-UHFFFAOYSA-N 356.784 4.089 0 1 FIAF Nc1ccccc1C(=O)Oc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587637458 CZLDGUYCVVPEJU-UHFFFAOYSA-N 372.380 4.335 0 1 FIAF O=C(c1cc2cc(F)ccc2s1)n1ncc2ccc(Cl)cc2c1=O 587652173 MYAWBNFTQHUYOE-UHFFFAOYSA-N 358.781 4.092 0 1 FIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C(C)C 587765735 TXRHWBNQRSBRTD-BTDLBPIBSA-N 366.278 4.298 0 1 FIAF Cc1ccc2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2c1 587776956 ZHSRPVWDPQJYHC-ZMZPIMSZSA-N 374.257 4.168 0 1 FIAF CCCOc1cccc(Cc2nc3ccc(CC(=O)OCC)cc3[nH]2)c1 587777866 DJYFMLBVRHZOBL-UHFFFAOYSA-N 352.434 4.048 0 1 FIAF CC(C)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 587798387 VLEAHGGCZGHAAS-FVMDXXJSSA-N 353.235 4.323 0 1 FIAF Cc1cnc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587802371 LVXHCKTUMWRJLX-BMLIUANNSA-N 374.257 4.397 0 1 FIAF Cc1csc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587850937 GQMKLUAAQPUNKT-VXJOIVPMSA-N 355.276 4.151 0 1 FIAF Brc1ccc2c(c1)[C@H](c1nc3cnccc3s1)NC1(CC1)C2 961614431 LKWHCAOQDOKZMX-OAHLLOKOSA-N 372.291 4.222 0 1 FIAF O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2cccs2)cc1 1772583955 XTXWYXDTNRQPHO-UHFFFAOYSA-N 365.454 4.393 0 1 FIAF O=C(O)c1ccccc1-c1ccc(CN2C3=NCCN3c3ccccc32)cc1 1857564468 BHQUSEVTQRXJMQ-UHFFFAOYSA-N 369.424 4.248 0 1 FIAF CCO[C@@H]1C=C(CC[C@]2(C)[C@@H](C)CC[C@@]3(C)C(C(=O)O)=CC=C[C@H]32)C(=O)O1 1857651907 WDAFREQBUZXZAG-UXVDKCGKSA-N 374.477 4.252 0 1 FIAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@]12C 2356754318 WACIVNIHJKQSFP-RILOBHDZSA-N 350.474 4.478 0 1 FIAF Cn1nc(-c2nnc(-c3ccc(Br)cc3)o2)c2ccccc21 2382242597 KIGJCFLNLCYVOI-UHFFFAOYSA-N 355.195 4.053 0 1 FIAF CC(=O)Nc1cccc(-c2csc([C@](C)(O)c3ccc(F)c(F)c3)n2)c1 61897134 HVIPQPAOPNDHAD-LJQANCHMSA-N 374.412 4.303 0 3 FIAF Cc1onc(-c2ccccc2F)c1C(=O)NCCCN(C)c1ccccc1 2482351 LCNKNEYVMVWNBJ-UHFFFAOYSA-N 367.424 4.045 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4Cc5cn[nH]c5N[C@@]4(C)CC[C@@H]32)C1 5500824 CMWJNGXQGRDRCC-LXIBVNSESA-N 369.509 4.231 0 1 FIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)OCO2 13761390 MHXINXPTKUQZKP-KRWDZBQOSA-N 353.462 4.018 0 1 FIAF O=C1C[C@H](c2ccccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27094969 QDKXRIQQJJEIQU-SNVBAGLBSA-N 374.223 4.458 0 1 FIAF O=C1CN(Cc2ccccc2)C(=S)N1c1c(Cl)cccc1Cl 27751483 SPLBDSZTHGFCOF-UHFFFAOYSA-N 351.258 4.127 0 1 FIAF CC(C)(C)c1ccc(/C(=C\C[C@@H](N)C(=O)O)c2ccc(F)cc2F)cc1 28771741 WYCLXMAZRDIHSB-OUQXZNHLSA-N 359.416 4.496 0 1 FIAF C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)c(F)c(CC)c4c2O1)C(=O)C[C@@H](C)O3 29133588 BJWLKEGIGATMPF-JYBZGJHDSA-N 370.376 4.199 0 1 FIAF O=c1cc(NCCCN[C@@H]2CCc3ccc(Cl)cc32)[nH]c2ccccc12 45230733 XSWLSAWFPXGKLT-GOSISDBHSA-N 367.880 4.261 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccsc4)cc3)[nH]c2c1 64527454 XQBOPDMVXHMMQW-UHFFFAOYSA-N 354.456 4.362 0 1 FIAF CN1CCC[C@@H]1CCN1CCCc2cc(NC(=N)c3cccs3)ccc21 73168505 KEMKYEAYSRVURD-GOSISDBHSA-N 368.550 4.422 0 1 FIAF c1ccc2c(c1)CCN(c1cc(Oc3cccc4cccnc34)ncn1)C2 82067467 USUFKWHNRNWQGE-UHFFFAOYSA-N 354.413 4.380 0 1 FIAF CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCC3CC3)ncnc21 82179985 XQRPPGXLOMEDHZ-CQSZACIVSA-N 365.481 4.370 0 1 FIAF CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Nc1cccc2ccccc12 84758488 NKSHVIJSFVSXPG-NRFANRHFSA-N 374.440 4.362 0 1 FIAF COc1cc(/C(=C\c2ccc3ccccc3c2)C(=O)O)cc(OC)c1OC 95588267 PAAHKPCAQUWGFF-WOJGMQOQSA-N 364.397 4.491 0 1 FIAF Nc1nc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc2s1 96169270 WOLAGLMOWGJUJU-AEFFLSMTSA-N 363.486 4.213 0 1 FIAF O=C(NC1CCCCC1)Oc1ccc(O)c(-c2cccc(C(=O)O)c2)c1 96273118 GUVOIAKTAQSSES-UHFFFAOYSA-N 355.390 4.179 0 1 FIAF O=C(Nc1cccc(Cl)n1)c1cc(Cl)cc(Oc2cncnc2)c1 96938963 BUIOHRKCCSCORH-UHFFFAOYSA-N 361.188 4.223 0 1 FIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 103918744 PLULYUUDDLRXDH-VLIAUNLRSA-N 371.433 4.118 0 1 FIAF CC[C@@H](O)c1cc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1 144293848 ZVFYUIBNLRHUCH-HXUWFJFHSA-N 361.445 4.397 0 1 FIAF CCCCCOc1c(OC)ccc2c(=O)n(CCc3ccncc3)ccc12 146810339 XAWAIINHXMKDDR-UHFFFAOYSA-N 366.461 4.217 0 1 FIAF O=c1[nH]c(O)c(Cc2ccc(OCC3CCCCC3)c(Cl)c2)s1 169700819 WXRPGOFELDUAQY-UHFFFAOYSA-N 353.871 4.345 0 1 FIAF Nc1ccc(-c2ccc3nc([C@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)cc1N 586885686 NISKJYWVTXFCNZ-PMPSAXMXSA-N 358.445 4.033 0 1 FIAF CC1=C(c2ccc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 587114142 WLTWMYCSCKPJDX-UHFFFAOYSA-N 372.350 4.004 0 1 FIAF COc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167233 ITNDDFKZPFOTPO-KRWDZBQOSA-N 354.385 4.080 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2c(Cl)ccnc2[nH]1)C1CCCC1 587227230 XGBOSBICDFILML-LBPRGKRZSA-N 350.850 4.367 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1occc1Br)CC2=O 587457535 JUTQGIORHCIUSJ-AWEZNQCLSA-N 351.196 4.407 0 1 FIAF COc1cc(C)ccc1OCc1nc2cc(Br)cc(F)c2[nH]1 587564481 TZRCEAJZZBLROJ-UHFFFAOYSA-N 365.202 4.361 0 1 FIAF CN(C)/C=C/[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573905 VFJDKFHNCWLQTC-PEEVUVLRSA-N 367.445 4.214 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3n2C)N1 587754131 CTSLQTBAERIKRD-BTDLBPIBSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(C)(C)C)CC2)N1 587765744 DEGPKGCLFBKBJO-GFCCVEGCSA-N 369.322 4.212 0 1 FIAF CCOc1ccccc1OCc1nc2ccc(OC(F)(F)F)cc2[nH]1 587779949 KFEYCPYCEGNREZ-UHFFFAOYSA-N 352.312 4.439 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(C3(c4ccc(C)c(OC)c4)CC3)nc2c1 587926240 VOJYJIJEYJZOHN-UHFFFAOYSA-N 370.836 4.400 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2nc(Br)c[nH]c-2n1 587951209 FYTJJCJZOYXPCY-MXWKQRLJSA-N 353.264 4.113 0 1 FIAF COc1cccc(OC)c1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962701962 LVBRNBICVOVHIX-QKKBWIMNSA-N 373.493 4.296 0 1 FIAF O=C([C@@H]1Cc2ccccc2[C@@]2(C=C[C@H](C(F)(F)F)CC2)N1)C(F)(F)F 962776004 ZTBJLSFGQRGSKT-WHOFXGATSA-N 363.301 4.056 0 1 FIAF COc1ccc([C@]2(CC(C)(C)C)NCCc3c2c(C(C)C)nn3C)cc1 962920240 MFCCNETXOJAVLM-QFIPXVFZSA-N 355.526 4.378 0 1 FIAF Clc1ccc([C@@H]2CCCN2CCCn2nnc(-c3ccccc3)n2)cc1 1857589045 DDKBYCWTKNZHNP-IBGZPJMESA-N 367.884 4.221 0 1 FIAF CCCCC[C@H](O)C=C[C@H]1[C@H]2CC(CCCCC(=O)OC)=C[C@H]2C[C@H]1O 2356331779 QIGRQPVOWVHYBT-UQVNRYHBSA-N 364.526 4.161 0 1 FIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3C[C@H]4OC(=O)C(C)=C4C=C3CC[C@H]2C1(C)C 2356484124 JLHBPOUWGMGEPC-NFSXTHTRSA-N 358.478 4.343 0 1 FIAF COc1c(O)cc2oc(-c3ccc(O)cc3)c(C=CC(C)C)c(=O)c2c1O 2356515511 RJROYLPVIJTJAA-UHFFFAOYSA-N 368.385 4.255 0 1 FIAF NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccccc21 2382226010 FVVLSCKLLIQBRK-FGZHOGPDSA-N 370.452 4.043 0 1 FIAF Cn1cc(CC(=O)Nc2ccc(Nc3cccnc3)cc2)c2ccccc21 199265482 LYDTXBMEUIBGAV-UHFFFAOYSA-N 356.429 4.498 0 3 FIAF C/C=C/c1ccc(O[C@H](C)C(=O)c2ccc(OC)c(OC)c2)c(OC)c1 1610895 IQQVVIZXMFMANE-PSKZRQQASA-N 356.418 4.396 0 1 FIAF biogenic,in-vitro CC(C)c1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 3796212 GNMALCWMRIJDNM-HXUWFJFHSA-N 360.457 4.308 0 1 FIAF O=c1cc(N2CCOCC2)oc2c(-c3ccc4ccccc4c3)cccc12 13677220 OYLGZUQUTITVHN-UHFFFAOYSA-N 357.409 4.450 0 1 FIAF in-vivo CC(C)=CCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)OCO3)CC2=O 14819259 PAUXUELQYNEFMK-LJQANCHMSA-N 352.386 4.336 0 1 FIAF biogenic CCC(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCNCC2)cc1 22939771 MYUXMELNCONESU-JOCHJYFZSA-N 350.506 4.300 0 1 FIAF C[C@]12CC[C@H]3[C@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)c1ccc[nH]1 26389114 XGBWNEKVHQUBJF-UZZXVSMHSA-N 368.521 4.335 0 1 FIAF CCC(=O)[C@H](c1ccccc1O)C1CCN(CCc2ccccc2)CC1 27869631 BPBLDURNMSLMQD-QHCPKHFHSA-N 351.490 4.410 0 1 FIAF Cc1nc2c(cnn2CC2CCCCC2)c(=O)n1-c1ccc(Cl)cc1 28951886 QWBQPMFOVCKZJK-UHFFFAOYSA-N 356.857 4.124 0 1 FIAF CCO[C@@H](Cc1cccc(C2=NO[C@H](c3ccc(Cl)cc3)C2)c1)C(=O)O 40421333 VAXOCQMUSKBFLO-OALUTQOASA-N 373.836 4.238 0 1 FIAF CN(c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1)c1ccnc(N)n1 45227622 UPHJQAGUEYFQTH-UHFFFAOYSA-N 368.828 4.124 0 1 FIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)cc2)cs1 82197881 RGSPVKUYDUWSPX-SFHVURJKSA-N 373.522 4.094 0 1 FIAF CCCOCCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2)n1 82219587 POJVCWSOLONTQP-UHFFFAOYSA-N 352.438 4.336 0 1 FIAF Cc1nc2cc(C(F)(F)F)ccc2n1-c1ccc(C(=O)NC2CC2)s1 84602843 KQUWFTFWWIPMAD-UHFFFAOYSA-N 365.380 4.306 0 1 FIAF O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)NC1CCCCC1 103199226 ZUJPCZYWYDXOBO-VAWYXSNFSA-N 372.472 4.396 0 1 FIAF COc1ccc(C[C@H](O)c2n[nH]/c(=N/c3cccc(C(C)C)c3)s2)cc1 103780453 CFEPVWXFYFTSTN-SFHVURJKSA-N 369.490 4.112 0 1 FIAF CCc1c(C(=O)NCCc2ccc(OC)cc2)[nH]c2ccc(Cl)cc12 299868560 RTQZKEKUXNWTAS-UHFFFAOYSA-N 356.853 4.365 0 1 FIAF O=Cc1cc(Br)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 586982523 LNRPDNNZPJNCQA-UHFFFAOYSA-N 373.103 4.361 0 1 FIAF Cc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br 587156074 LOIFKTVNDRNMRD-PIGZYNQJSA-N 360.230 4.114 0 1 FIAF N=c1[nH]c2cc(Br)cc(-c3cc4c5c(cccc5n3)CC4)c2o1 587207551 GPFIVGKWGYAWKN-UHFFFAOYSA-N 366.218 4.317 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ncc1C(F)(F)F)O2 587383819 VZFSKXSFLMLUOP-CYBMUJFWSA-N 356.731 4.351 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(C)s1)O2 587411818 WFXOOVJIDPEXIJ-ZDUSSCGKSA-N 352.253 4.416 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(F)cc(C(F)(F)F)cc1F)[C@@H](C2)C3=O 587418906 DYXVKXWCTNXKCO-DYZYQPBXSA-N 370.273 4.481 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4cccs4)oc1C)[C@@H](C2)C3=O 587452587 RKMFRBKJEHVQLJ-KPZWWZAWSA-N 353.399 4.209 0 1 FIAF CCOC(=O)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587531452 KJFLAYLQEJQDAY-HXUWFJFHSA-N 356.443 4.051 0 1 FIAF O=C(NC1CCCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661295 WKAXCNCAYDUGTC-UHFFFAOYSA-N 365.408 4.093 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2F)N1 587725083 NEVVJJMURYKNCN-XYZCENFISA-N 368.221 4.231 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cl)cn1 587867587 AFCNRRLWHZDLBH-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587938674 YNZDCXYTKXTCEO-CLAHSXSESA-N 352.221 4.110 0 1 FIAF Brc1ccnc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12 587950822 NYNZCAGTLSGOIC-UHFFFAOYSA-N 362.271 4.206 0 1 FIAF O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)o1 621429354 NLSVCVHXVZQCTG-MRXNPFEDSA-N 369.804 4.026 0 1 FIAF CN1CCc2c(Br)cccc2[C@@]12CCCc1cccc(N)c12 963279886 KPNLRPVORSYFBF-LJQANCHMSA-N 357.295 4.099 0 1 FIAF COc1ccc(-c2ocnc2-c2cc(OC)c(SC)c(OC)c2)cc1O 1857748659 MKUVMHCOSIJWAR-UHFFFAOYSA-N 373.430 4.462 0 1 FIAF CC=Cc1ccc(O[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)c(OC)c1 2356337944 IQQVVIZXMFMANE-AWEZNQCLSA-N 356.418 4.396 0 1 FIAF COc1ccc2sc3c(c2c1)N(Cc1ccc(Cl)cc1)CCNC3=O 3647063 RJQMZVZOZNJUPB-UHFFFAOYSA-N 372.877 4.313 0 1 FIAF CN(c1ccccc1)c1cc2c(cc1N(C)c1ccccc1)C(=O)NC2=O 13735568 PNXRSOJTSRJLPV-UHFFFAOYSA-N 357.413 4.106 0 1 FIAF O=C(c1c(F)cccc1F)N1CCc2c(cnn2-c2ccccc2Cl)C1 28708537 MFSHRWLMDYVTHW-UHFFFAOYSA-N 373.790 4.002 0 1 FIAF COC(=O)[C@H](C)[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 34801373 JABZAHXSNKLWRQ-HQLQRCIMSA-N 373.537 4.051 0 1 FIAF COc1ccc2c(c1)OC1(CCN(Cc3ccc(C)cc3)CC1)CC2=O 39227096 HBFQBBPVDZXUIY-UHFFFAOYSA-N 351.446 4.004 0 1 FIAF CC(=O)OC[C@@]1(C)CCC[C@@]2(CO)[C@H]1CC[C@@]1(C)c3cocc3CC[C@H]21 40896935 ZUNPKKNJINJWLQ-BIRZXAFVSA-N 360.494 4.242 0 1 FIAF CC(C)C(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCC[C@H]4C)cc3)[C@@H]2C1 45495347 RDNPZTXOIOQUEZ-RZFNWQHOSA-N 366.549 4.231 0 1 FIAF Cc1n[nH]c(-c2ccccc2)c1CCC(=O)NCc1ccc(F)cc1Cl 58602837 QCDKBDOMIWKBLG-UHFFFAOYSA-N 371.843 4.427 0 1 FIAF Cc1c(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)cccc1C(=O)O 59185397 HGIGYEKEPMULMX-UHFFFAOYSA-N 357.365 4.157 0 1 FIAF C[C@H]1CCCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 70462965 OFQPETUUAYBGGJ-NSHDSACASA-N 354.830 4.152 0 1 FIAF O=C(c1ccccc1)c1cc2cc(Cl)cc(Br)c2oc1=O 72121379 VECYJYHQSRNPJE-UHFFFAOYSA-N 363.594 4.440 0 1 FIAF C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1CCc1cc3[nH]c4ccccc4c3cc12 83921435 XUTJPVCJXVRRLB-RLBLXZPPSA-N 363.457 4.387 0 1 FIAF biogenic,in-vitro O=C(c1ccc(O)c(Br)c1)c1nccc2c1[nH]c1ccccc12 84653379 RVFSIJWZHTVFJY-UHFFFAOYSA-N 367.202 4.415 0 1 FIAF biogenic Nc1ccc(/C(=C2/C(=O)Nc3ccccc32)c2nc3ccccc3[nH]2)cc1 84742093 VFBOYTHEVIYGOD-VXPUYCOJSA-N 352.397 4.056 0 1 FIAF C[C@@H](c1ccc(OC(F)F)cc1)N1CCC2(CCC(=O)CC2)OC1=O 146334762 FXGBTWNRQNOCJR-LBPRGKRZSA-N 353.365 4.073 0 1 FIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 586891380 QHCNINJSIZNWND-BFUOFWGJSA-N 350.397 4.033 0 1 FIAF CCCn1cnc2cc(-c3nc4cccnc4[nH]3)cc(Br)c21 587003796 MUMQRNXIQCNCTA-UHFFFAOYSA-N 356.227 4.147 0 1 FIAF Clc1ncc(Br)c2nc(-c3csc4c3CCOC4)[nH]c12 587031170 BHFVXOBYOQJAAO-UHFFFAOYSA-N 370.659 4.175 0 1 FIAF Cc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1F 587042473 KSQRWHIYBWSOEB-OAHLLOKOSA-N 361.829 4.319 0 1 FIAF NC(=O)Nc1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 587243401 KEWKYFFXRFIGPI-UHFFFAOYSA-N 370.718 4.273 0 1 FIAF O=C(/C=C/c1nc2ccc(F)c(Br)c2[nH]1)Nc1ccccc1 587244956 SSRKZDHJXYTMAS-CMDGGOBGSA-N 360.186 4.116 0 1 FIAF Nc1ncccc1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587254054 PLZXLHNALRCFAE-UHFFFAOYSA-N 357.442 4.408 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(Br)c1)O2 587382652 SWZZKNHDQRAFPY-HNNXBMFYSA-N 350.187 4.185 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)C[C@@H](C)N3C)CC2=O 587475443 LYLSNCOYYAVOHY-LRTDBIEQSA-N 351.446 4.432 0 1 FIAF C[C@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573715 XBAVHDVUCLLPIM-DENIHFKCSA-N 364.372 4.494 0 1 FIAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(C)c1C 587575575 FYCIUMKYQOXKNR-UGKGYDQZSA-N 363.413 4.359 0 1 FIAF Cc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614399 SHNLTXLVSIWPCF-QFBILLFUSA-N 353.399 4.034 0 1 FIAF CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2cc(F)ccc12)c1ccccc1C 587636120 ZWDSWDCLKCTPFE-UHFFFAOYSA-N 366.392 4.076 0 1 FIAF CCOC(=O)c1c(C)[nH]c(-c2[nH]c3cc(F)ccc3c2C(=O)OCC)c1C 587636919 PMRRYHDECLRQFJ-UHFFFAOYSA-N 372.396 4.272 0 1 FIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1ccc(C(F)(F)F)cc1 587650559 ZEVZKFGYRJDTHS-UHFFFAOYSA-N 367.392 4.489 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nn(C)cc23)N1 587761197 TWRAIQVEYCQXEV-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cc3ccccc3C2=O)N1 587828659 PGYMVEUHYCILPU-JEOXALJRSA-N 372.237 4.227 0 1 FIAF CCOc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587855395 VKBMWLKYLGLYAQ-CLAHSXSESA-N 371.275 4.067 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NC1CCCC1 587863583 CHTZISFPYNQHFY-UHFFFAOYSA-N 369.412 4.243 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Br)nc1 587869572 MORRMERNKWPUFS-UHFFFAOYSA-N 362.202 4.235 0 1 FIAF CC[C@]1(Cc2nc3cc(OC)cc(OC)c3[nH]2)CC(=O)c2ccccc2C1 587961262 QXNGXMNXULLPLM-JOCHJYFZSA-N 364.445 4.348 0 1 FIAF CC1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1 653735449 HJDMNYBCNCJCBH-UHFFFAOYSA-N 351.494 4.133 0 1 FIAF CCc1cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)on1 962629613 BTTVKLZYQLRNRU-REWPJTCUSA-N 359.473 4.073 0 1 FIAF Clc1ccc(-c2nnn(CCCN3CCC[C@@H]3c3ccccc3)n2)cc1 1857535495 BQLZYNUTJFEOJK-LJQANCHMSA-N 367.884 4.221 0 1 FIAF CCN(CC)c1nc(CC2CCOCC2)nc2sc3c(c12)CCCC3 1857578526 RUAZAZLGWUHGMV-UHFFFAOYSA-N 359.539 4.385 0 1 FIAF O[C@@H](COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12 1857624010 WYLVFMBGPRCDQF-HXUWFJFHSA-N 371.440 4.111 0 1 FIAF CCOc1nc(C)c(-c2ccnc(Nc3ccc(OC)cc3OC)n2)s1 1857631239 BHOLPSUAEJPBIL-UHFFFAOYSA-N 372.450 4.068 0 1 FIAF CSC=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3[C@H](O)[C@H]2C1 2356376233 PCGQGFYOHXONPG-SWTIUVKQSA-N 350.480 4.018 0 1 FIAF C[C@@H](NC(=O)[C@@]1(C)CON=C1c1cccc(Cl)c1)c1ccc(F)cc1 772227 JSMZCJKERKIZFM-BLVKFPJESA-N 360.816 4.097 0 1 FIAF CC[C@@H](O)CCCCCCCC[C@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460233 PNBIZNWWGNJKRU-WBVHZDCISA-N 350.455 4.071 0 1 FIAF biogenic O=C1C[C@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21 13471704 RJXYBXCQVVCCAR-ZDUSSCGKSA-N 368.408 4.185 0 1 FIAF O=C1c2c(F)cc(F)cc2CCC12CCN(CCc1ccccc1)CC2 13734371 FBWUQEIVZSYNQZ-UHFFFAOYSA-N 355.428 4.419 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C[C@@H]2CC[C@H]1N2C 28563078 OXDFFEQFKNRNGA-BQJUDKOJSA-N 371.427 4.371 0 1 FIAF CN(C(N)=O)c1ccc(OCCn2c3ccccc3c3ccccc32)cc1 28818363 VJJDHXRWHRJNNY-UHFFFAOYSA-N 359.429 4.388 0 1 FIAF CCC(=O)N(c1ccccc1)[C@H]1CCCN(C[C@H](O)c2ccccc2)CC1 34478316 JJHMPFZIQGVLEV-VXKWHMMOSA-N 366.505 4.018 0 1 FIAF CC1(C)C[C@H](OC(=O)c2ccccc2)c2c(ccc3ccc(=O)oc23)O1 39029046 BYZRNQLMNVMJKG-INIZCTEOSA-N 350.370 4.252 0 1 FIAF C=CCc1cc2c(cc1O)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 59234824 AEFIJALBGAGMIC-ODXCJYRJSA-N 356.418 4.384 0 1 FIAF biogenic O=C(NCc1ccc(F)cc1)c1cccc(OCc2ccccc2)c1O 72113103 IOFUDBKTKNEVTF-UHFFFAOYSA-N 351.377 4.040 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 101511966 KTLWATLWLZJCED-IVUDLBNISA-N 372.553 4.174 0 1 FIAF CC1(C)c2ccc(C3=CCNCC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114801061 YFUCLGNZXXEBCD-UHFFFAOYSA-N 367.452 4.287 0 1 FIAF CC(C)=CCc1ccc([C@H]2C(=O)O[C@@H](Cc3ccc(O)cc3)[C@H]2C)cc1O 222286691 DKONIHYALJLLSF-YDFBLROQSA-N 366.457 4.494 0 1 FIAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@H]3CC[C@]12O 238775724 QJRNEHJGTLWRJJ-CYLSZLGPSA-N 353.506 4.310 0 1 FIAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 253706391 RQTWPNKOATVIPT-YTEUYLGWSA-N 352.261 4.033 0 1 FIAF CC[C@@]1(c2ccccc2)CCN(c2ccc(-c3cnco3)c(OC)c2)C1=O 584629328 DLQPFTRRAVDGON-QFIPXVFZSA-N 362.429 4.435 0 1 FIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587068652 AMDSRZGXNAVVLQ-VIFPVBQESA-N 356.203 4.433 0 1 FIAF Clc1cnn(COc2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)c1 587082118 KTSNMFQEZATRFI-UHFFFAOYSA-N 360.204 4.165 0 1 FIAF O=C(O)c1ccc(-c2cc(-c3nc4cccnc4[nH]3)ccc2F)cc1F 587138688 QCOOJTAESGJZRV-UHFFFAOYSA-N 351.312 4.268 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)cc1F)O2 587382930 VPAOFLJGRDDGRS-KRWDZBQOSA-N 364.214 4.359 0 1 FIAF COc1cc2c3c(c1)O[C@H]([C@@H]1CC=C(CCCC(C)(C)O)CC1)[C@@H](C2)C3=O 587451083 OOLIQIFDFALZGM-FXCLAUTBSA-N 370.489 4.479 0 1 FIAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC[C@H]1CN(C(C)(C)C)C2 587489079 RVYWIVITBXPKKG-GJZGRUSLSA-N 357.494 4.189 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3cc(C)ccn13)CC2=O 587490095 OLDJLFPIRHTODH-SFHVURJKSA-N 350.418 4.316 0 1 FIAF CCn1cc([C@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587503566 HSLLGMXKMZEOAN-FQEVSTJZSA-N 360.404 4.216 0 1 FIAF CC(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587590354 ZKQSVGGMSZIRRO-YLJYHZDGSA-N 362.385 4.009 0 1 FIAF Cc1cccc2c1OCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608099 JOUNFZKVVYEWMS-CVDCTZTESA-N 374.392 4.340 0 1 FIAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3c(C)nn(C)c3C)c2c1 587643443 UJPXUTOASSKRGH-NSHDSACASA-N 367.449 4.049 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2F)N1 587725082 NEVVJJMURYKNCN-XLFHBGCDSA-N 368.221 4.231 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncn(C)c3c2)N1 587753987 CHIDBHPPUDDWAX-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF C=Cc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587792527 OQGPVYGAQZTWCD-HUTHGQBESA-N 364.262 4.060 0 1 FIAF Cc1cc2c([nH]1)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587800613 BXAGFWCBANGBLI-BBATYDOGSA-N 363.274 4.339 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccco2)N1 587825519 AJFYXZLITKZOJD-QGHHPUGFSA-N 366.230 4.204 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCC2CCOCC2)N1 587833350 GCGZREPFVUETAJ-ABAIWWIYSA-N 356.279 4.370 0 1 FIAF COc1cccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587932001 QVIZFFLQVAHFJT-UHFFFAOYSA-N 353.166 4.203 0 1 FIAF CC(C)Oc1cc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2cc1Br 587961933 HGRUOWDYPVCOMY-QWRGUYRKSA-N 365.271 4.270 0 1 FIAF N[C@H](N=O)c1ccc2oc(C(=O)c3ccc(Br)cc3)cc2c1 957577781 TYDYUBRSQDDGEQ-MRXNPFEDSA-N 359.179 4.150 0 1 FIAF COc1ccc2c(c1OC)[C@@](C)(c1cccc3c1NCCC3)N(C)[C@@H](C)C2 962632644 RSWJUKMNXGSLPH-NPMXOYFQSA-N 366.505 4.202 0 1 FIAF O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)n1cnc2ccccc21 1772630990 AOMQLAGAKKBNKK-UHFFFAOYSA-N 365.452 4.160 0 1 FIAF CCc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 13131736 WDUSFYWTQRYAEV-IRXDYDNUSA-N 353.857 4.222 0 3 FIAF aggregator Cc1cccc(Nc2nn3c(=O)c4c5c(sc4nc3s2)CCCC5)c1 1660907 YWMPLXDOLCQMBX-UHFFFAOYSA-N 368.487 4.297 0 1 FIAF Cc1cc2c(cc1Cl)S[C@@H](c1ccccc1)C(O)=NS2(=O)=O 6019874 GLNLCEMMUGOFJC-AWEZNQCLSA-N 353.852 4.141 0 1 FIAF COc1c(O)ccc2c1OC[C@H]1c3ccc4c(c3O[C@@H]21)C=CC(C)(C)O4 14650501 JQFXBCOZQHXLQX-KSSFIOAISA-N 352.386 4.195 0 1 FIAF endogenous,in-man CCCc1nc(SC)ncc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 20557770 VIZIRLOVCFRNQH-JHMRYYBSSA-N 373.566 4.486 0 1 FIAF Cc1cc(OCCc2ccccc2)cc(OS(=O)(=O)c2ccccc2)c1 27099440 XJSOOBCLWGKKJM-UHFFFAOYSA-N 368.454 4.384 0 1 FIAF O=C(Nc1nccs1)c1c(C(F)(F)F)nc2ccc(Cl)cc2c1O 29229625 UTNVTRXNTIZPPE-UHFFFAOYSA-N 373.743 4.321 0 1 FIAF CCCc1cc(OC)c(C[C@@H]2c3cccc(O)c3CCN2C)cc1OC 45303247 PVSGEYHXHISQCW-LJQANCHMSA-N 355.478 4.134 0 1 FIAF CCO[C@H](c1ccc(Cl)cc1)[C@H](n1ccnc1)[S@@](=O)C(C)(C)C 45390778 GOSHMJDRYBNRAC-LNPFQXMTSA-N 354.903 4.360 0 1 FIAF O=C(CN1CCCCC1)NN1c2ccccc2Sc2cc(Cl)ccc21 73163719 WKYMGPHLAUGKGR-UHFFFAOYSA-N 373.909 4.460 0 1 FIAF Cc1ncc(CO)c2c(Nc3ccccn3)c(NCc3ccccc3)oc12 95578800 VFQDJJGNPILIHO-UHFFFAOYSA-N 360.417 4.379 0 1 FIAF CC[C@H](C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 116230193 LDNIALWGVHIOJL-LBPRGKRZSA-N 353.397 4.369 0 1 FIAF O=C1OC[C@H](c2cc(F)cc(C(F)(F)F)c2)N1c1ccc2nc[nH]c2c1 116829003 WRRXGSIKEAHCCU-OAHLLOKOSA-N 365.286 4.419 0 1 FIAF CNc1ccc(-c2ccc3c4[nH]ncc4c(=O)n(CC(F)(F)F)c3c2)cc1 220115864 PSSXWUKLRYQINL-UHFFFAOYSA-N 372.350 4.149 0 1 FIAF CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 261135828 LZUOWUYBFWNJBN-LJNITKHHSA-N 360.523 4.139 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc(CSCc3ccsc3)nc1-2 587025136 DSCOOIQUURUGHL-UHFFFAOYSA-N 364.805 4.472 0 1 FIAF Cc1c(Br)ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c12 587059454 QORBKZFBZXLABF-AWEZNQCLSA-N 351.631 4.369 0 1 FIAF COc1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082577 SNWUMFYETMQDQW-UHFFFAOYSA-N 354.797 4.125 0 1 FIAF C[C@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 587156094 LUJQOOOUEOQOHE-QGZVFWFLSA-N 367.277 4.050 0 1 FIAF O=C1COc2cc3nc(-c4sccc4-c4ccc(F)cc4)[nH]c3cc2N1 587165286 OXCKZRKMVXZDEM-UHFFFAOYSA-N 365.389 4.428 0 1 FIAF O=C(/C=C\c1nc2c(Cl)cnc(Cl)c2[nH]1)Nc1ccc(F)cc1 587167338 QKYVHZSREVCBPA-WAYWQWQTSA-N 351.168 4.056 0 1 FIAF CC(C)Oc1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587173723 HZQDNYUNTQXTIH-FQEVSTJZSA-N 354.381 4.118 0 1 FIAF Nc1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1C(=O)O 587248045 AUCZWBXBVXWJHW-UHFFFAOYSA-N 355.703 4.183 0 1 FIAF CCCC[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354679 OSAKHPAFYCPHSE-PZJWPPBQSA-N 356.393 4.408 0 1 FIAF COc1cccc(Br)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587378060 RUDIVCNFYBHMHL-HNNXBMFYSA-N 362.223 4.055 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c3ccnc-3[nH]cc1C(F)(F)F)O2 587384209 YSPQEQQZLWSPPU-CQSZACIVSA-N 361.323 4.130 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cl)c2N)N1 587695944 SVBXTMCDOQGZJH-ZKANADHPSA-N 369.665 4.447 0 1 FIAF CCCCN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587769769 QEEIYZYYUMBXSX-ZDUSSCGKSA-N 369.322 4.214 0 1 FIAF Cc1ccn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc2c1 587772677 FYTAMUTWGIUNID-ADLMAVQZSA-N 374.257 4.168 0 1 FIAF COC[C@@]1(C2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798206 YOPMSQJFPHJNBB-GTNSWQLSSA-N 356.279 4.154 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCCC(=O)O)N1 587828697 PMPHFMWNVSNJBN-APPDUMDISA-N 372.278 4.373 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)C[C@@]3(C)O[C@H]23)N1 587837641 JOJVNVLLJDZLQR-OSFLCWLCSA-N 368.290 4.295 0 1 FIAF Cc1c(F)ccc2c1[C@H](c1ccc(Br)c(F)c1F)NCC2 962094959 UUTRCNAJUQVETE-INIZCTEOSA-N 356.185 4.410 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21CCCC[C@H]1N1CCSCC1 963094729 CXLNROQAUPMSAZ-TYPHKJRUSA-N 360.542 4.033 0 1 FIAF C[C@H](C[C@@]1(c2ccccc2)c2c(F)cccc2C[C@@H]2CCCN21)C(=O)O 963106805 NQWANKKPMLGBGB-FXCLAUTBSA-N 353.437 4.201 0 1 FIAF CC[C@H]1CC[C@]2(C1=O)c1cc(OC)ccc1CCN2Cc1ccc(F)cc1 963300877 IVPAOHREOSZRSP-GAJHUEQPSA-N 367.464 4.477 0 1 FIAF Cc1cc2c(cc1Cl)cc(C(=O)N[C@H](C)c1ccc(C(=O)O)cc1)n2C 1857573010 LWSSZUOUUFDSFH-GFCCVEGCSA-N 370.836 4.329 0 1 FIAF CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1cc2ccccc2s1 61927238 GAOKCXCPFIMUJJ-FQEVSTJZSA-N 358.507 4.202 0 3 FIAF C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O 2965498 OEMHLCKSDXYQTM-NSHDSACASA-N 355.850 4.252 0 1 FIAF C[C@H]1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccccc2F)CC1 13860156 PXRYUTZDJMDKAL-KRWDZBQOSA-N 366.480 4.406 0 1 FIAF Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc2N1C(=O)OC(C)(C)C 64637964 ZNAZYSFHEFSLOP-SFHVURJKSA-N 352.434 4.300 0 1 FIAF COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccccc3C)ccc1O2 95579827 OLAQBZBKMOPUOH-QHCPKHFHSA-N 372.424 4.365 0 1 FIAF O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 95872295 XFLZELRWIBAHQY-QHAWAJNXSA-N 363.457 4.052 0 1 FIAF CCOC(=O)[C@@H]1C(C)=Nc2ccnn2[C@H]1c1cccc(Cl)c1Cl 169720814 XHYVJINZHMDNGX-HIFRSBDPSA-N 352.221 4.065 0 1 FIAF CCC(CC)(c1ccc(O)cc1)c1c[nH]c2c(NS(C)(=O)=O)cccc12 202437803 LWKGAONEVXEDIW-UHFFFAOYSA-N 372.490 4.351 0 1 FIAF O=C(N[C@H]1CCc2cc(Cl)cc(Cl)c21)[C@@H]1CCOc2ncsc21 220883123 OLPOMNJRPMMVAZ-PWSUYJOCSA-N 369.273 4.120 0 1 FIAF O=C1NCCc2[nH]c(-c3cccc4ccc(Oc5cccc(O)c5)nc34)cc21 222377993 OGTWUWZXWAVZHO-UHFFFAOYSA-N 371.396 4.014 0 1 FIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(C)Cc4ccccc4)[C@@H]3C=C12 504187706 XXGSVFUSBZGYSU-JROBLHLSSA-N 351.490 4.353 0 1 FIAF biogenic NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCC(=O)O)c1 584905753 UHEGDWIZAOPGIY-UHFFFAOYSA-N 359.425 4.061 0 1 FIAF in-vitro CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 586882574 YMQKRCYTYKGKAD-UHFFFAOYSA-N 362.216 4.193 0 1 FIAF Fc1cc(Br)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587016133 GZIHZIOWXDWDMC-NSHDSACASA-N 368.231 4.440 0 1 FIAF O[C@H](c1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1Cl 587059274 NJTGAKGQINWMCO-ZDUSSCGKSA-N 355.594 4.200 0 1 FIAF C[C@@]1(CC2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360629 VPOUGJARUUPSDV-UNMCSNQZSA-N 370.420 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1cc3ccccc3o1)O2 587397630 YLAKBSFZIHLBLP-GOSISDBHSA-N 359.385 4.420 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)CC(C)(C)C)CC1)CC2=O 587475964 NUYOBQDUIBEIRG-UHFFFAOYSA-N 373.493 4.107 0 1 FIAF CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517754 UGOAPRGLKOKZNX-PKOBYXMFSA-N 371.477 4.299 0 1 FIAF COC(=O)[C@H]1CCC(C)(C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527527 WCYUDDBVCKELIJ-VGOFRKELSA-N 356.462 4.269 0 1 FIAF C[C@@]1(c2c[nH]c3cnccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590287 SEWNTDQCZHZMSV-KNQAVFIVSA-N 372.380 4.146 0 1 FIAF CCn1cc(-c2[nH]c3c(C)cc(Cl)cc3c2N2CCOCC2)c(C)n1 587626858 IQSJLWNWTBIAAH-UHFFFAOYSA-N 358.873 4.158 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCCCCC2)N1 587766538 NWJAERLXORRQJA-ACJLOTCBSA-N 369.322 4.214 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3n2)N1 587799319 XXSGTRFZTOUMNE-DYZYQPBXSA-N 372.241 4.155 0 1 FIAF Cc1ncc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587856765 XXHRXRLDTFIWKF-AYVTZFPOSA-N 355.276 4.151 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN[C@@H](C)c1ccccc1 587870915 VJECGQPRXQFKQO-HNNXBMFYSA-N 367.424 4.079 0 1 FIAF C[C@]1(Cc2c(Cl)cccc2Cl)NCCc2c(C(=O)O)cccc21 963123375 OFYZUYLPKQOFQM-GOSISDBHSA-N 350.245 4.295 0 1 FIAF O=C(/C=C/c1cnc2[nH]cc(-c3ccc(F)cc3)c2c1)NCc1ccncc1 1857545301 LRTIYRKQUQSMML-LZCJLJQNSA-N 372.403 4.094 0 1 FIAF COC(=O)C[C@@]1(C(=O)O)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 1857770597 ZOSFZMGNELVYMW-QIJUGHKUSA-N 358.478 4.448 0 1 FIAF O=C(NCc1ccccc1)Nc1nccnc1OCc1ccccc1Cl 1857771206 BTNYBZSUYGLZBZ-UHFFFAOYSA-N 368.824 4.031 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CCC(=CC(=O)O)O2)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356417692 IWSKYCJOAZZKEJ-NJAKZWOFSA-N 364.482 4.308 0 1 FIAF CC=C(C)C(=O)OCC=Cc1ccc(OC(=O)C(C)=CC)c(OC)c1OC 2356738170 AVUQXTCTNLQPOU-UHFFFAOYSA-N 374.433 4.098 0 1 FIAF CC(=O)c1ccccc1NC(=O)c1ccc(OCc2c(C)noc2C)cc1 3349262 CMBUVFVSMSPMNT-UHFFFAOYSA-N 364.401 4.325 0 3 FIAF CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CCCC2CCCC2)CC1 61936139 XGOUMPLOZWMQJQ-FXAWDEMLSA-N 365.631 4.274 0 3 FIAF CC1(C)O[C@@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@@H]1C(=O)O 1648739 QSPIKFKGKSSIKJ-VPTHRUTESA-N 357.237 4.375 0 1 FIAF CC(C)(C)C1=Nn2c(nnc2-c2ccc(Br)cc2)SC1 6022800 SCLLCRGYUKMBDF-UHFFFAOYSA-N 351.273 4.064 0 1 FIAF Cc1nc2c3c(c(C(=O)N4CCCC4)cn2c1C)CC[C@@H](c1ccccc1)C3 13983752 PDDUGZPBLONWCU-LJQANCHMSA-N 373.500 4.460 0 1 FIAF CC1(C)OC[C@H](NC(=O)Nc2ccccc2Cl)[C@H](c2ccccc2)O1 28368228 JVJPGBKNRNWSFH-IRXDYDNUSA-N 360.841 4.354 0 1 FIAF Cc1nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)nc(C)c1C 28647380 WCSJRAMSWWBTEB-HNNXBMFYSA-N 368.289 4.487 0 1 FIAF O=C(O)CCCc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 40402391 JKPRRFNMKNGICO-UHFFFAOYSA-N 356.466 4.184 0 1 FIAF CCn1c2ccncc2c2cc(S(=O)(=O)Nc3ccccc3)ccc21 40879299 OETPYWQXIFZIGL-UHFFFAOYSA-N 351.431 4.010 0 1 FIAF CC(=O)Nc1nc(-c2ccc(C(C)=O)cc2)cc(-c2ccc(C(C)=O)cc2)n1 66104688 GYQSYTNZQWRIFP-UHFFFAOYSA-N 373.412 4.174 0 1 FIAF COc1ccc(/C=C2\OC(=O)C=C2c2ccc(O)c(Br)c2)cc1 95563979 RMWGZBOMTPESNY-IUXPMGMMSA-N 373.202 4.145 0 1 FIAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@@H](C2)[C@H]1[C@H](C)[C@@H](C)C(=O)C3 101792272 TXKQIJMFIKPRKR-YQDHTTTGSA-N 367.533 4.225 0 1 FIAF CC[C@H](Oc1cccc2ccccc12)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102071013 DONQHEMPIDPWDX-ZWOKBUDYSA-N 353.462 4.166 0 1 FIAF CCC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1 145392159 GXJPLTPOMVKXAT-SPEDKVCISA-N 369.505 4.455 0 1 FIAF CCOC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 164620505 HAGCRJSBUXFFFS-LLVKDONJSA-N 353.262 4.342 0 1 FIAF O=C(O)CCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 299827874 OOWBTKUVEPBVLP-UHFFFAOYSA-N 358.777 4.043 0 1 FIAF COc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2n1 586881001 SECZDHGULNQEFL-UHFFFAOYSA-N 359.385 4.307 0 1 FIAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(N)ncnc2[nH]1 586981777 DWSSEGARSVRAQX-GFCCVEGCSA-N 374.286 4.070 0 1 FIAF Fc1cccc(Cn2nnc(-c3nc4cccc(Cl)c4[nH]3)c2Cl)c1 587162571 XEJXYJOGMIHCJM-UHFFFAOYSA-N 362.195 4.316 0 1 FIAF Cc1nc2ccc(NC(=O)Cc3cc4c5c(cccc5n3)CC4)cc2s1 587358737 FLIQQEKKKNDSPK-UHFFFAOYSA-N 359.454 4.433 0 1 FIAF Cc1ccc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 587376525 SDJCOPWDVPEMBF-FQEVSTJZSA-N 372.852 4.292 0 1 FIAF CO[C@@H]1C[C@@H](c2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587402201 ARHLOZXNMJHNPB-AQKFKSFVSA-N 351.446 4.264 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ncc[nH]1)(c1cccs1)CC2=O 587494479 LYLOVJFXAYTELV-LJQANCHMSA-N 354.431 4.038 0 1 FIAF COCCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522436 LWJAOMCRXLFVRB-OAQYLSRUSA-N 352.430 4.297 0 1 FIAF C[C@]1(c2cccc(NC(N)=S)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531273 HGHAVMFRJSFLHU-OAQYLSRUSA-N 366.486 4.102 0 1 FIAF C[C@@]1(c2ccc(O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556895 KWOQWGAOVFPVOM-RXVVDRJESA-N 366.344 4.114 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccsc12 587617561 KHBMGYKMCSEUOA-OXJNMPFZSA-N 350.395 4.257 0 1 FIAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)N3CCC(C(=O)OC)CC3)c2c1 587642548 MJWJJQIMHLFQGB-CYBMUJFWSA-N 356.466 4.015 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)nc2)N1 587704901 KZWHXVVBAWSIBK-VXJOIVPMSA-N 355.638 4.260 0 1 FIAF COc1ccc(-c2cccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2)cc1O 587786730 PWAZNRMMYJUQGZ-FQEVSTJZSA-N 374.400 4.335 0 1 FIAF COc1ccc(C)cc1NC(=S)n1nc2cc1Oc1ccc(F)cc1-2 587875805 JWFIIDLPJKSDAL-UHFFFAOYSA-N 355.394 4.357 0 1 FIAF Oc1cc(-c2ccccc2Cl)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587946871 YHOLWQCKVMMEIJ-UHFFFAOYSA-N 370.771 4.133 0 1 FIAF O=S(=O)(O)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587967403 HQWUBNRRNGXVHL-DHZHZOJOSA-N 350.399 4.133 0 1 FIAF Cc1cc(Br)c2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2c1 587968376 BFTHISWPXVFQNN-DIPXRFRJSA-N 359.267 4.281 0 1 FIAF C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12c1c(F)cccc1C[C@H]1CCCN12 963117322 YLRJCRSBCNRIJY-ZDPZECHZSA-N 374.500 4.318 0 1 FIAF NC(=O)c1c(F)ccc(OCCCOc2cccc3ccccc23)c1F 1772656080 XEKHAIOLZOSULY-UHFFFAOYSA-N 357.356 4.065 0 1 FIAF Cc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)[N@@]2S(=O)(=O)c2ccc(C)cc2)cc1 1857623979 KWYXQHAUBJOQFR-DXIQSLLYSA-N 371.502 4.033 0 1 FIAF CC=C[C@@H]1Oc2c(-c3ccccc3)cn(OC)c(=O)c2[C@@H]2[C@H](C)CCC[C@@H]12 2356618925 ORZSZSIBAZFLLT-DJABAAGCSA-N 365.473 4.431 0 1 FIAF COc1c(CO)[nH]c2c(c1=O)[C@H](CCCCCc1ccccc1)CCC2 2382218174 HPAHLGHSCFGURF-QGZVFWFLSA-N 355.478 4.099 0 1 FIAF CCOC(=O)CNc1ncnc2cc(-c3ccc(SC)cc3)sc12 2382224302 OUCZJDSFVJDQFO-UHFFFAOYSA-N 359.476 4.055 0 1 FIAF CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2c3ccccc3C[C@H]21 254013148 PTCKNXLVCDVUGX-BPQIPLTHSA-N 361.363 4.367 0 3 FIAF CC(C)(C)c1ccc(CNC(=O)[C@]2(C)CON=C2c2ccccc2)cc1 767175 BPZVKURSGPCFOL-JOCHJYFZSA-N 350.462 4.041 0 1 FIAF COc1ccc([C@](O)(c2cccnc2)c2cc3ccc(OC)cc3o2)cc1 13680612 DNPOZLKMPCEZQH-QFIPXVFZSA-N 361.397 4.129 0 1 FIAF CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(-c2ccc(Cl)cc2)cc1 13835081 UBMHJGAVMNNJPG-CQSZACIVSA-N 351.899 4.438 0 1 FIAF CC(C)(CCCOc1cccc(OCCCC(C)(C)C(=O)O)c1)C(=O)O 25980235 IDWTWYKACRUHJO-UHFFFAOYSA-N 366.454 4.226 0 1 FIAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2cccnc2)/C1=C(\O)OC1CCCCC1 27556971 UAUNBHIEZRNQSJ-PJCCXHTNSA-N 357.410 4.267 0 1 FIAF CCCCN1N=C2/C(=C/c3cccnc3)CSC[C@H]2[C@@H]1c1cccnc1 29245239 WOTJSQHJCFYICK-ITBUCFEJSA-N 364.518 4.436 0 1 FIAF C[C@]12C=CC(=O)N[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](C(=O)c3ccc[nH]3)CC[C@@H]12 34315783 VZUZYJRNXGEFQV-VEDQBHKXSA-N 366.505 4.111 0 1 FIAF CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(SC(F)(F)F)cc1 38841175 JXTJEINNTZXCBD-CQSZACIVSA-N 374.428 4.418 0 1 FIAF CCCN1CCN(C2=Nc3ccccc3Nc3sc(CC)cc32)CC1 53107982 VWPIOKJPHKDXPH-UHFFFAOYSA-N 354.523 4.473 0 1 FIAF COc1ccc2c(Nc3ccc(C(N)=O)cc3)c3c(Cl)coc3nc2c1 72107764 QUDKBTRXTNWHCN-UHFFFAOYSA-N 367.792 4.486 0 1 FIAF Cc1ncc(Oc2cc(Cl)cc(C(=O)Nc3ccc(F)cn3)c2)cn1 96939146 VXTZFMURPVPGPT-UHFFFAOYSA-N 358.760 4.017 0 1 FIAF C[C@@H](CO)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=S)OC[C@]4(C)[C@H]3CC[C@]12C 169338633 JIAXPKPFEUBJEA-AORYOHGTSA-N 365.583 4.089 0 1 FIAF Fc1ccc(F)c(OCCCn2c3c(c4cc(F)ccc42)CNCC3)c1 169350518 JJNOXBBLOQFPCH-UHFFFAOYSA-N 360.379 4.173 0 1 FIAF COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc(O)cs2)cc1 169726284 OGPAGXJNVYIHNJ-KRWDZBQOSA-N 369.421 4.352 0 1 FIAF O=C1Nc2ccc(F)cc2[C@@]12C[C@H](c1ccc(Br)cc1)N=N2 169727680 MPHVQQSSNCKSTG-ZBFHGGJFSA-N 360.186 4.333 0 1 FIAF Cc1ccnc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 473154929 MYWRXADZUXANHI-UHFFFAOYSA-N 358.405 4.160 0 1 FIAF FC(F)(F)c1ncc2nc(-c3coc(-c4ccccc4Cl)n3)nc-2[nH]1 587062159 CXRRYSYROFYMLH-UHFFFAOYSA-N 365.702 4.299 0 1 FIAF Cc1cc(Br)cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c12 587251401 GCPVQZPMLNDOKX-UHFFFAOYSA-N 358.239 4.032 0 1 FIAF C[C@@]1(c2ccc(F)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335578 OGPDJRBUIRQKEO-CTNGQTDRSA-N 367.351 4.340 0 1 FIAF O=C1c2ccc(O)cc2OC2(CC3(CSC3)C2)[C@H]1c1ccc(F)cc1 587371032 CZQNASVTSQYOJI-KRWDZBQOSA-N 356.418 4.156 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CC=C(Br)CC1)O2 587371941 IIZRKBDGNUVCJG-GTNSWQLSSA-N 350.256 4.380 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(SC)nc1Cl)CC2=O 587494040 VXLAIWITOUACHF-CQSZACIVSA-N 364.854 4.217 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cnc1F 587571974 SWELLPJJCPHDOY-MAUKXSAKSA-N 371.751 4.283 0 1 FIAF Cc1ccnc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587593038 ZZDIAXYQFAEVDW-NQIIRXRSSA-N 372.380 4.280 0 1 FIAF Cc1cccn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 587776324 WOILNIDGMZQYMP-APPDUMDISA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncccc3[nH]2)N1 587801741 HXOBAHGMSGSOFX-XYZCENFISA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c([nH]2)CCCC3)N1 587802315 LCNRPRSVYMFFCU-MGNBDDOMSA-N 363.274 4.419 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)C[C@@]3(C)O[C@@H]23)N1 587837640 JOJVNVLLJDZLQR-ONUGHKICSA-N 368.290 4.295 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(SC)cc1 587872739 PSJQALGUUGZFBE-UHFFFAOYSA-N 356.422 4.498 0 1 FIAF CCOC(=O)Cc1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587949737 AFVPYXBYOHMVEU-UHFFFAOYSA-N 368.477 4.154 0 1 FIAF CCOC(=O)c1cccc(C[C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)c1 963102910 GKDBSBZPIGAQKO-WMZHIEFXSA-N 367.464 4.481 0 1 FIAF CC(C)(C)OC(=O)N1CCC2(CCN(c3cncc4ccccc34)CC2)C1 1772632304 ATFGHGYWJCFAPC-UHFFFAOYSA-N 367.493 4.462 0 1 FIAF Cc1cc([C@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)sc1C 1857643089 HGMUZURNXRQNKW-IBGZPJMESA-N 374.469 4.106 0 1 FIAF Fc1ccc2c(c1)CC[C@H](c1nnc([C@H]3CCc4cc(F)ccc4O3)o1)O2 1911585813 SUQYXKHAJWBLRF-QZTJIDSGSA-N 370.355 4.480 0 1 FIAF CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)o2)N2C(=N1)Nc1ccccc12 1911586230 FOSSZZQZAMFZEK-GOSISDBHSA-N 351.406 4.156 0 1 FIAF COC(=O)CC=C1CC2=CC[C@]3(C)C(=O)CC[C@]3(C)[C@H]2CC[C@H]1C(C)(C)O 2356678714 QHOOFRIKIADFKW-AAUAJYIVSA-N 374.521 4.369 0 1 FIAF CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2ccc(N(C)C)cc2)cs1 61897089 ZQAWKFFOLCGWML-IBGZPJMESA-N 369.465 4.241 0 3 FIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1C 206492094 LGMBXTRATGKMBW-UHFFFAOYSA-N 370.474 4.013 0 3 FIAF CCN(Cc1ccccc1)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 2500159 ONLZSIZQSBLMEZ-UHFFFAOYSA-N 370.456 4.348 0 1 FIAF COc1ccc(C(=O)N2CCC3(CCCN(c4ccccc4)C3)CC2)cc1 3956000 UZXXYCZKUBLBMO-UHFFFAOYSA-N 364.489 4.218 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc(OCC)c1 4049892 QGWLKPQBZVVIRP-CTNGQTDRSA-N 366.461 4.093 0 1 FIAF C/C=C(/C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)C=C[C@H](O)[C@@H]2C 13300599 HZKKUYMQQTYDGZ-HMEXKSLASA-N 356.418 4.250 0 1 FIAF O=C(O)CCn1c2c(c3cc(NC(=O)c4ccccc4)ccc31)CCCC2 28334435 FIZJRVZJHIYCLM-UHFFFAOYSA-N 362.429 4.247 0 1 FIAF CCSc1ncc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1 28713604 UOOQNTPEOIQCCB-UHFFFAOYSA-N 358.488 4.055 0 1 FIAF Cn1c([C@@](C)(O)CSCC(F)(F)F)nc2cc(Cl)c(Cl)cc21 28890381 PYOZRLCEGNKERX-LBPRGKRZSA-N 373.227 4.383 0 1 FIAF CCSc1c(C)on(C(=O)N(c2ccc(Cl)cc2)C(C)C)c1=O 39094721 KWTQNZSCDBDEOY-UHFFFAOYSA-N 354.859 4.398 0 1 FIAF C[S@@](=O)c1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 40504102 FLLOWHGYYIGHGP-QHCPKHFHSA-N 352.525 4.243 0 1 FIAF C[C@@]12C=C[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 40786524 USBAFPHMCLKQER-GEEOLVQLSA-N 352.474 4.226 0 1 FIAF O=C(O)C1=CCN([C@H]2CC[C@@]3(Cc4ccccc4Cc4ccccc43)C2)CC1 43202666 VFKIKYZNUCGJGD-WIOPSUGQSA-N 373.496 4.341 0 1 FIAF CC1(C)C[C@@]2(CN(Cc3ccccc3)C(=S)CO2)c2ccccc2O1 45300706 FYLMGHOFLHYBNK-OAQYLSRUSA-N 353.487 4.303 0 1 FIAF Cc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCC(C)C)n2)c(C)c1 82191968 YIQDWYUSHDHOFV-SFHVURJKSA-N 357.523 4.168 0 1 FIAF CNC(=O)Oc1cccc(OCCCOc2ccc(C(F)(F)F)cc2)c1 103214383 RZHLRJGZFINBMK-UHFFFAOYSA-N 369.339 4.272 0 1 FIAF Clc1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCCC1 103298412 AGBQCCLLKQVTAO-UHFFFAOYSA-N 361.961 4.043 0 1 FIAF CC(C)Oc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114335977 HIYQICVQFRZMAK-FQEVSTJZSA-N 364.493 4.427 0 1 FIAF CCOc1c(OC)ccc(C(=O)Cc2c(Cl)cncc2Cl)c1OC 114778862 OUECCBYYAPBBGU-UHFFFAOYSA-N 370.232 4.230 0 1 FIAF Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 116814873 DUFHAWGLGXXRBG-UHFFFAOYSA-N 365.462 4.039 0 1 FIAF COc1cc(Br)ccc1[C@H](C)NC(=O)[C@]1(C)C[C@@](C)(Cl)C1 144780074 WVFRCSYGBLGTBH-CIISACIHSA-N 374.706 4.433 0 1 FIAF CC1(C)CC(=O)[C@@H]2C(=Nc3nc4c(c(N)c3[C@@H]2c2ccncc2)CCCC4)C1 169720989 NEJAUGQGKHCLHV-MOPGFXCFSA-N 374.488 4.161 0 1 FIAF CCOC(=O)C(F)(F)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586991969 BUVRXVMBAILUJG-UHFFFAOYSA-N 367.351 4.410 0 1 FIAF Cc1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 587019419 LWVFFIYZPWNKNR-UHFFFAOYSA-N 354.460 4.232 0 1 FIAF Brc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cn1 587036690 JSZZSQVUNGJMSD-LBPRGKRZSA-N 352.282 4.161 0 1 FIAF CCC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)COC1 587361474 YWEHCDGUBCVJHA-ICSRJNTNSA-N 356.393 4.076 0 1 FIAF Cc1ccc([C@]2(c3ccsc3N)CC(=O)c3cc(C)cc(N)c3O2)cc1 587411823 WLBKHOOZLBFCRP-NRFANRHFSA-N 364.470 4.438 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(OC(F)F)c(C)c1)[C@@H](C2)C3=O 587423721 UWERNYDNJMRJCY-IFXJQAMLSA-N 360.356 4.402 0 1 FIAF CC[C@H](OC)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587438893 IVYGTGPGOFMKGS-KGVIQGDOSA-N 352.430 4.456 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(C)c1N)CC2=O 587468040 ACYOIGANRVOGDP-NRFANRHFSA-N 355.434 4.125 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)N(C)C)CC2=O 587469237 LQPMAYUGXBSTBH-IVZQSRNASA-N 353.462 4.156 0 1 FIAF CCOc1ccc(C(=O)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522292 GXEHCQUBBWQOJI-FQEVSTJZSA-N 350.414 4.181 0 1 FIAF Cc1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551813 KDACZKNFUSCJCL-FXAWDEMLSA-N 367.788 4.452 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(F)cc2Cl)N1 587732393 MEFGGNSDHVZLQU-ZIDLFYJRSA-N 373.628 4.399 0 1 FIAF CC[C@@]1(Cc2nc3cc(OC)cc(OC)c3[nH]2)CC(=O)c2ccccc2C1 587961265 QXNGXMNXULLPLM-QFIPXVFZSA-N 364.445 4.348 0 1 FIAF CC(=O)[C@@H]1C(=O)CC(C)(C)C[C@@]12NCCc1cc(-c3ccccc3)ccc12 962665514 ILGYDVPKTFPRRQ-VWNXMTODSA-N 361.485 4.289 0 1 FIAF COc1ccc2c(c1)[C@]1(CCCC2)NCCc2cc3cccc(OC)c3nc21 963049862 BFUFQIKJUHJJTD-DEOSSOPVSA-N 374.484 4.368 0 1 FIAF Nc1c(C(=O)Nc2ccccc2Cl)sc2nc3c(cc12)[C@@H](O)CCC3 1772590156 VOWPNQVJTQHQJZ-AWEZNQCLSA-N 373.865 4.154 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CCC(=CC(=O)O)O2)[C@]2(C)CCCC(C)(C)[C@H]12 2356417690 IWSKYCJOAZZKEJ-MFSCSNGFSA-N 364.482 4.308 0 1 FIAF O=C1CCC=CC[C@@H](c2ccc(-c3ccncc3)cc2)C(=O)OCCCO1 2382235590 CLBBSBRPPBMKBJ-FQEVSTJZSA-N 365.429 4.049 0 1 FIAF Cc1ccc2cc3cc(C(=O)NCCCN4CCCCCC4)oc3nc2c1 4056871 SKHVDSRDDIRFSW-UHFFFAOYSA-N 365.477 4.285 0 3 FIAF Cc1ccccc1NC(=O)Nc1nc([C@@H](N)Cc2ccccc2)cs1 61908636 QZPHWROOYJMUFW-HNNXBMFYSA-N 352.463 4.338 0 3 FIAF CN(Cc1ccccc1)c1cc(-c2ccccn2)nc(-c2ccccn2)n1 1503818 PKGMRTBFJQFSHW-UHFFFAOYSA-N 353.429 4.237 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2CC(CCCCC(=O)OC)=C[C@H]2C[C@H]1O 3803976 QIGRQPVOWVHYBT-KABTVRTISA-N 364.526 4.161 0 1 FIAF in-man CC(C)(C)NC(=O)c1oc2ccccc2c1NC(=O)Cc1cccs1 7001547 UHNNLZXJYOIZMB-UHFFFAOYSA-N 356.447 4.204 0 1 FIAF C[C@@H](O)CNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1 13528389 KCXCFBQZWGUDQC-CYBMUJFWSA-N 362.408 4.224 0 1 FIAF CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)NC1CCCCC1 25427598 TYDVSRURAZWLCY-MJGOQNOKSA-N 356.510 4.014 0 1 FIAF biogenic Clc1ccccc1-c1cc(NC2CC2)n2ncc(Br)c2n1 28959068 AJPLFWQRQYAHSG-UHFFFAOYSA-N 363.646 4.387 0 1 FIAF CCN1CCC[C@H](n2cc(S(=O)(=O)c3ccccc3)c3ccccc32)C1 34065807 JWXKHYYJTARSOV-KRWDZBQOSA-N 368.502 4.131 0 1 FIAF CC[C@@]12C[C@](O)(CC)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12 38932515 XPOMWHAEDKURHV-OTUUDDROSA-N 366.501 4.425 0 1 FIAF C[C@H](CC(F)(F)F)C(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 71330107 YTDZZORHCDZYGG-SNVBAGLBSA-N 373.400 4.093 0 1 FIAF COc1ccc(-c2cc(C[C@H]3CCCC3=O)ccc2[C@H](C)C(=O)O)cc1 72107431 NWNGLICJCGYJBZ-WMLDXEAASA-N 352.430 4.462 0 1 FIAF COc1ccccc1CNc1cc(-c2cc(Cl)ccc2OC)ncn1 82160698 GKLYHAFYVXBQRG-UHFFFAOYSA-N 355.825 4.426 0 1 FIAF CC(C)NC(=O)[C@@H]1CCCN1c1nc(-c2ccc3ccccc3c2)cs1 82191944 QTAUVENMUPTPIE-IBGZPJMESA-N 365.502 4.457 0 1 FIAF CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@H]3O[C@@H](C[C@@]4(C)CCC[C@]3(C)O4)[C@@H]21 101694808 XBXWRLRZRQRZHE-CLPXVCJBSA-N 364.526 4.496 0 1 FIAF C[C@@]1(c2cccs2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 138766315 PDRBEDRHYQZUBJ-INIZCTEOSA-N 371.241 4.215 0 1 FIAF COc1ccc(C2=C(c3ccc(O)c(OC)c3)CN3CCC[C@H]3C2)cc1 144074546 WBQXVTMAGFQBIT-KRWDZBQOSA-N 351.446 4.188 0 1 FIAF NC(=S)n1nc(Nc2nc(-c3ccccc3)co2)cc1-c1ccccc1 169350079 LBLWNZSPUCFUKW-UHFFFAOYSA-N 361.430 4.040 0 1 FIAF O=C(O)CC1CCC2(CC1)CCN(c1cc(C(F)(F)F)ccn1)CC2 209058032 GCHINJJAFUYXMP-UHFFFAOYSA-N 356.388 4.352 0 1 FIAF CCNC(=O)Nc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 473105307 RYZKRZBUWGJHKY-VOTSOKGWSA-N 356.422 4.024 0 1 FIAF O=S(=O)(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C1CCCC1 586924212 LMHGSPOSYLYSKU-UHFFFAOYSA-N 366.792 4.093 0 1 FIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)c(C)cc2[nH]1 586973528 PBCWSLYXMAYOIM-IBGZPJMESA-N 353.491 4.290 0 1 FIAF Fc1cc(F)c(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1Br 587135842 GIFVKBMSERHADF-UHFFFAOYSA-N 367.149 4.042 0 1 FIAF O=C1c2ccc(O)cc2OC2(CC3(CSC3)C2)[C@@H]1c1ccc(F)cc1 587371035 CZQNASVTSQYOJI-QGZVFWFLSA-N 356.418 4.156 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccc(F)cc3)c1C)O2 587383339 AWVKLENUKNLQRC-OAQYLSRUSA-N 365.408 4.091 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](OCc3ccccc3)C[C@@H]1F)O2 587383368 SHDBOXDBPDVPOH-BUKVSMQUSA-N 369.436 4.389 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SC(=O)N(C)C)cc1)O2 587410498 OBTJBXKRESLDPZ-KRWDZBQOSA-N 356.447 4.057 0 1 FIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587429549 PJONOAZCXQRHCM-BVVUSLJFSA-N 363.457 4.030 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccncc1)[C@@H](C2)C3=O 587436086 LNDCBFTXMWSUQA-MBSDFSHPSA-N 373.408 4.158 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCC(CC(=O)OCC)CC1)CC2=O 587484735 UWSLOSBVOQICCS-UHFFFAOYSA-N 360.450 4.192 0 1 FIAF CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1-c1ccc2ccccc2n1 587638982 MAYWMMAPYMLAKW-UHFFFAOYSA-N 360.369 4.258 0 1 FIAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587726180 VULNFMCRIPJFMW-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C)c1C 587748954 CCGILKKNOJXYMX-NIVTXAMTSA-N 365.290 4.476 0 1 FIAF COC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797856 XVJCTBBZBONLFQ-KPZWWZAWSA-N 364.258 4.012 0 1 FIAF CCCC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815917 RFQGZPQOJZVZCO-VOJFVSQTSA-N 368.290 4.487 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)COC3)N1 587837108 ZKQGKQZGGLRNEW-YPMLDQLKSA-N 362.242 4.242 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)no1 587859549 ZELJQPKYDQAVMU-UHFFFAOYSA-N 366.204 4.241 0 1 FIAF COc1cc(O)cc(-c2cccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2)c1 587930534 CYPIKACMUNMJFF-HXUWFJFHSA-N 374.400 4.335 0 1 FIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587935933 WNKBSAXFMBWGEO-UHFFFAOYSA-N 359.429 4.029 0 1 FIAF Oc1cc(C2CCCCC2)c(O)n1NCc1ccccc1Br 587941278 RFIVDSACAHDWDE-UHFFFAOYSA-N 365.271 4.453 0 1 FIAF CN(C)c1ccc(-c2ccc(-c3csc(NC(=O)C4CC4)n3)cc2)cn1 621430778 BMNOHTNLQACXDP-UHFFFAOYSA-N 364.474 4.287 0 1 FIAF CCCc1ccc([C@]2(CC3OCCO3)NCCc3c2sc(C)c3C)cc1 963031325 UAUOCRGBSBJZKR-QFIPXVFZSA-N 371.546 4.470 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccccc1OCC(F)F 963046217 IMMRZCWIXKHWOB-NRFANRHFSA-N 370.399 4.122 0 1 FIAF Cc1ccccc1C1=NN(C(=O)CC2CCCCC2)[C@](O)(C(F)(F)F)C1 1857752820 GZBWHRBGBVWUEX-GOSISDBHSA-N 368.399 4.153 0 1 FIAF CCNC(=O)c1ccc(-c2c(C)nc3c(Oc4ccccc4)cccn23)cn1 1911578841 RQUHDPPRBQHAGL-UHFFFAOYSA-N 372.428 4.247 0 1 FIAF CC(=O)O[C@@H]1C[C@]2(O)C(C)(C)CCC[C@]2(C)[C@@H]2Cc3occc3[C@@H](C)[C@H]12 2356417637 HOCAOPOBPZNWHL-KUIGVJELSA-N 360.494 4.455 0 1 FIAF O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccncc1)c1ccc2ccccc2c1 2382226079 KRKMBTPLHFDXGY-NOTZXAQLSA-N 371.484 4.160 0 1 FIAF CCn1cc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 12439578 JAFIERFWYHDPAD-INIZCTEOSA-N 365.399 4.017 0 3 FIAF CC(=O)Nc1cccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)c1 61909001 BOYIQMVMHKGOHY-QGZVFWFLSA-N 360.385 4.128 0 3 FIAF CC[C@@]1(C)CC(=O)c2c(ccc3oc(C(=O)NCc4ccco4)c(C)c23)O1 6808078 FOVFCBUGHUWZCR-NRFANRHFSA-N 367.401 4.398 0 1 FIAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@@H]3CCOC3=O)[C@@H](C)CC[C@@H]12 13780200 ZRFBDZGXQIKFNC-OAYGGAORSA-N 350.499 4.362 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC 13863443 SEWBUIWTHYNBNC-QZTJIDSGSA-N 362.429 4.037 0 1 FIAF CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1CC(=O)NC1CCCCC1 25429437 BYCCHNRJBJTSNX-FUHWJXTLSA-N 374.500 4.153 0 1 FIAF biogenic C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28111359 NGKJZFHEDSISDF-LSVZVQIISA-N 373.880 4.429 0 1 FIAF Cc1cccc(C)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O 28341539 YIDJUDDEOGSZCB-UHFFFAOYSA-N 356.429 4.356 0 1 FIAF COc1cc(C(=O)c2c(N)sc3cc(C)ccc23)cc(OC)c1OC 28644472 VDDUJFBQZCLKRC-UHFFFAOYSA-N 357.431 4.049 0 1 FIAF CCCCC[C@H](OC)[C@H](O)[C@@H](/C=C/CCCCCCCC(=O)O)OC 33820461 MQWZCHDMBWJFTK-DSKGEMRYSA-N 358.519 4.329 0 1 FIAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4cccc(Cl)c4)ccc3N(C)[C@@H]12 53224464 ZNXQOPMLFXVWJX-QUCCMNQESA-N 371.868 4.320 0 1 FIAF O=C1CCc2cc([C@@H](c3ccc(F)cc3)c3cccnc3)cc3c2N1CC3 95594927 XHJSBSUZQWMMHG-QFIPXVFZSA-N 358.416 4.236 0 1 FIAF Cc1c(-c2ccc(=O)n(C(C)C)c2)c2cc(Cl)ccc2n1CC(=O)O 117015244 KZPHXDVVLJAMCO-UHFFFAOYSA-N 358.825 4.097 0 1 FIAF O=C(NCC1CCCC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166871212 FIQCEZSCFSOERG-UHFFFAOYSA-N 363.461 4.154 0 1 FIAF Cn1cc(COc2ncccc2-c2cncnc2)c2nc3ccccc3cc21 169337398 JXXYPXKQUIOQCQ-UHFFFAOYSA-N 367.412 4.158 0 1 FIAF CC1=NC(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)[C@H]1C(=O)OC1CCCC1 169719478 SFEKXMBXFZSKQT-GJZGRUSLSA-N 368.355 4.033 0 1 FIAF CN(C)[C@@]12CCN[C@@H]([C@H](c3ccc(F)cc3)C1)[C@@H](c1ccc(F)cc1)C2 299806792 SQLVXEXTWOYNGQ-PIZUAKDYSA-N 356.460 4.288 0 1 FIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)C2 586886885 QQNVZWVOCOEGCG-LPEHRKFASA-N 371.309 4.251 0 1 FIAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587059028 LODPRJOVVHBJFA-LBPRGKRZSA-N 355.747 4.357 0 1 FIAF CCOc1n[nH]c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1Cl 587064552 CESSMIYQKQWJQQ-UHFFFAOYSA-N 366.808 4.236 0 1 FIAF Nc1ccnc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587112015 UMGVIYOXVKWCGF-UHFFFAOYSA-N 374.288 4.363 0 1 FIAF Cc1cnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 587115938 GAJSTBUEJRKHMB-UHFFFAOYSA-N 357.133 4.110 0 1 FIAF N[C@H](Cc1nc2cccc(Cl)c2[nH]1)c1ccc(Br)cc1F 587142644 IXYZRGQRXLGPSC-GFCCVEGCSA-N 368.637 4.360 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 587233546 RZKQQXYTKLXFMZ-WPRPVWTQSA-N 371.268 4.426 0 1 FIAF COC(=O)c1ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2c1 587241284 ARYZNMDRRWXJRQ-UHFFFAOYSA-N 365.433 4.391 0 1 FIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccs1)CC2=O 587494528 MENVISMZMNTDBY-CFGKVWFZSA-N 357.475 4.342 0 1 FIAF Nc1ncc(C(F)(F)F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506683 LAWHIOFAFRBEIR-INIZCTEOSA-N 362.351 4.268 0 1 FIAF Cn1nccc1[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587516556 DDTKDSKFMRIBSA-AOMKIAJQSA-N 350.462 4.361 0 1 FIAF COc1ccc(OC(C)=O)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521424 CAHIVKNWJPMQTH-OAQYLSRUSA-N 366.413 4.206 0 1 FIAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587566807 BDVHEWWXOCEFJX-UTKZUKDTSA-N 366.344 4.243 0 1 FIAF CC/C(C)=C(\N)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577214 JSDKGXZNYXQQEF-UKYRBTJVSA-N 353.418 4.145 0 1 FIAF C[C@]1(c2cccc3ncoc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587200 MQMNXFSZCUBVNW-XMSQKQJNSA-N 373.364 4.410 0 1 FIAF C[C@]1(c2c[nH]c3cccnc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587778 HTRJOXXQXYIMEP-XMSQKQJNSA-N 372.380 4.146 0 1 FIAF CC(C)(C)OC1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600070 KPLOREAMBJBLNP-WAPLAKNRSA-N 354.402 4.070 0 1 FIAF CC[C@H](C)c1ccc2[nH]c(-c3cnn(C)c3)c(C(=O)c3cnn(C)c3)c2c1 587642755 ORFGZIVZQBCYCZ-ZDUSSCGKSA-N 361.449 4.046 0 1 FIAF CC(C)c1nn(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587761412 BGCWESACJZVQSJ-BTDLBPIBSA-N 366.278 4.069 0 1 FIAF CCOC1=C[C@]2(CCC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587799763 CSQYIJKAWISESH-DIFFPNOSSA-N 354.263 4.422 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cnccc23)N1 587802183 KSKJYBZYCWGBEH-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3nccc-3c2)N1 587807510 XIJKCDLBJIPBMR-JDNHERCYSA-N 360.230 4.040 0 1 FIAF FC(F)(F)CCCONC1=CCCOc2ccc(Br)cc21 957615348 TVYXJIPNFAEBBE-UHFFFAOYSA-N 366.177 4.436 0 1 FIAF CCOC(=O)c1cccc([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)n1 962668253 PLISSNXSBPFNRI-DEOSSOPVSA-N 372.468 4.335 0 1 FIAF CCN(Cc1ccccc1)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1 1857639464 BNRZAUFDTVAFQX-UHFFFAOYSA-N 374.484 4.391 0 1 FIAF O=c1[nH]c2ccccc2n1CCCCN1CCC(Cc2ccccc2)CC1 13808347 ABCOHFBPWOQNCA-UHFFFAOYSA-N 363.505 4.065 0 1 FIAF CC[C@@H](C)N1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCCC1 20386902 ULNOQUBDCMLXRL-ZHRRBRCNSA-N 356.510 4.081 0 1 FIAF c1ccc2c(c1)[C@@H]1CC(c3ccncc3)(c3ccncc3)[C@H]2c2cccc[n+]21 26637138 SKTSCYWZNYDPSU-BJKOFHAPSA-N 362.456 4.189 0 1 FIAF Oc1ccc2c(c1Cc1ccccc1)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 27430749 UAQPOWVBZHAHDQ-SBUREZEXSA-N 374.392 4.321 0 1 FIAF CC[C@H](c1ccc(F)c(F)c1)n1c(C(=O)N2CCCCC2)c[nH]c1=S 28346904 OJBBADHVAPCQSI-OAHLLOKOSA-N 365.449 4.449 0 1 FIAF COc1cc(C(=O)c2sc3ccc(C)cc3c2N)cc(OC)c1OC 28644038 BTCDDKKVSUQGDE-UHFFFAOYSA-N 357.431 4.049 0 1 FIAF Fc1cc(Br)ccc1Nc1ncnc2cc3c(cc12)OCO3 45337285 XQBOTJPUMVFHHA-UHFFFAOYSA-N 362.158 4.004 0 1 FIAF COc1ccc([C@H](O)c2nnc(Nc3cccc(C(C)C)c3)s2)cc1 82083363 NLBLCEXPTBMEAA-KRWDZBQOSA-N 355.463 4.495 0 1 FIAF CCOC(=O)c1c(O[C@@H]2CCCC[C@@H]2C)cc(Cc2ccccc2)[nH]c1=O 95591314 FWOVIMRVMZFCMB-MAUKXSAKSA-N 369.461 4.100 0 1 FIAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2cccc(Cl)c2)cc1 100093674 SLXAUKWLFKVMRN-IWDDJAOLSA-N 367.880 4.345 0 1 FIAF COC(=O)C1=CCC[C@H]2[C@@]1(C)CC[C@@H](C(=O)OC)[C@]2(C)CCc1ccoc1 142184079 UKLZKUFVLXPLCP-UDKICSLYSA-N 374.477 4.317 0 1 FIAF O=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CC(F)(F)C1 145882362 FCHGTDVHYGWCGJ-UHFFFAOYSA-N 363.423 4.387 0 1 FIAF COc1ccc(-c2cc([C@H](O)C[C@@H]3CCCCN3)c3ccccc3n2)cc1 169334758 SECBAURNHRASLF-GAJHUEQPSA-N 362.473 4.476 0 1 FIAF Cc1nc(-c2c[nH]cc2-c2nc3cncc(Br)c3[nH]2)cs1 587021125 IDRGKHDLQAPOQU-UHFFFAOYSA-N 360.240 4.147 0 1 FIAF Oc1ncnc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc12 587072616 ZFFZPINEHOKUFQ-UHFFFAOYSA-N 358.188 4.094 0 1 FIAF FC(F)(F)CSc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccn1 587093711 RGWXPKQPEIWBAC-UHFFFAOYSA-N 353.325 4.008 0 1 FIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccnc(Cl)c3[nH]2)c1 587240585 KWJPFYWDENJIIF-UHFFFAOYSA-N 360.801 4.331 0 1 FIAF Nc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2ccccc2c1 587252051 RPCNOXYZHYPSFM-UHFFFAOYSA-N 363.730 4.379 0 1 FIAF CCOC1=C[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353513 QWLLAYSBCGSXEQ-TZIWHRDSSA-N 354.377 4.343 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCc4cc(Br)ccc41)[C@@H](C2)C3=O 587419056 RROLPRFRPWYPKI-KXBFYZLASA-N 371.230 4.047 0 1 FIAF CC[C@H](C)Oc1c(OC)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439051 JAONHGSGFPXWCV-CFTTWAEZSA-N 368.429 4.370 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCC(OC)=C1Br)CC2=O 587460572 UPBUHQQEUBZVMV-QGZVFWFLSA-N 367.239 4.095 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCC[C@H](C(=O)OCC)C1)CC2=O 587478236 IPUBZCIAYHPMFT-NJSLBKSFSA-N 360.450 4.048 0 1 FIAF CC/C(C)=C(/N)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577215 JSDKGXZNYXQQEF-UYCBQHLUSA-N 353.418 4.145 0 1 FIAF CC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606298 DKQWPDWTARHHMH-UGKGYDQZSA-N 362.381 4.365 0 1 FIAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587725856 SBYOKRCSBUMQSP-HUTHGQBESA-N 368.221 4.360 0 1 FIAF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587770963 LGIIXYKQHNDUFB-BMLIUANNSA-N 365.246 4.006 0 1 FIAF COC(=O)CCCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587805588 HWXKGZRZHHUJHQ-MEDUHNTESA-N 372.278 4.287 0 1 FIAF COc1cccc(CCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587931384 OLBWHBQEPYKZHY-UHFFFAOYSA-N 367.193 4.397 0 1 FIAF COc1cccc(F)c1[C@]1(C(F)(F)F)NCCc2ccc(F)c(C)c21 962092547 NKBCCOQTBHYOED-QGZVFWFLSA-N 357.322 4.233 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1nc3ccc(Cl)cc3[nH]1)N(C)[C@H](C)C2 962568684 LFNNUNAPLJMVPP-NSPYISDASA-N 371.868 4.199 0 1 FIAF COc1cc2c(cc1OC)[C@](C)(c1ccc(Cl)cc1N)N(C)[C@H](C)C2 962628621 PUTMYPGXHOQLTK-ODXCJYRJSA-N 360.885 4.079 0 1 FIAF COc1cccc([C@]2(c3cc(C)ccc3C)NCCc3c(C)ccnc32)c1 963069270 LYDBWFNFTVRZRS-XMMPIXPASA-N 358.485 4.453 0 1 FIAF CC[C@@]1(c2ccc3c(c2)CCCO3)N[C@H](C)Cc2c(OC)ccc(OC)c21 963576938 BTVQZVXRIDKZDN-CMJOXMDJSA-N 367.489 4.217 0 1 FIAF Cc1ncc(C)n2nc(CCc3ccc4ccc(C(F)(F)F)cc4n3)nc12 1772621641 HWPNBMFXBLZFQW-UHFFFAOYSA-N 371.366 4.093 0 1 FIAF O=C1Nc2ccc(Nc3ccc(Cl)cc3)cc2[C@]1(O)Cc1ccccc1 1857590391 HEFQUOKVVKPVPJ-OAQYLSRUSA-N 364.832 4.466 0 1 FIAF O=C(O)C[C@@H]1COc2cc(OCCCOc3cccc(Cl)c3)ccc21 1857768264 KNTFJPOCGUBOIF-CYBMUJFWSA-N 362.809 4.139 0 1 FIAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cccc2ccccc12 2356318230 AHIFZBURPWSUTA-SZMVWBNQSA-N 353.535 4.247 0 1 FIAF O=C(Nc1cccc(Cl)c1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccco1 4886321 UHEDPGHBXSZPQV-ALOPSCKCSA-N 359.857 4.250 0 3 FIAF CC(C)C(=O)N[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 254096620 YJOHLCCYNVHKKI-FDPOVUBTSA-N 359.554 4.451 0 3 FIAF O=[S@@](Cc1cc(Oc2ccc(F)cc2)ccn1)c1nc2cscc2[nH]1 13448780 XCDWLGZHXICGEK-RUZDIDTESA-N 373.434 4.259 0 1 FIAF COc1ccc2cc1Oc1ccc(c(O)c1OC)CCCC[C@H](O)CC2 15251154 QFUYWQPDFLHXSV-INIZCTEOSA-N 358.434 4.222 0 1 FIAF biogenic Nc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(Cl)c(O)c2)n1 28564065 OKHHFJVOMXBGTO-UHFFFAOYSA-N 363.808 4.142 0 1 FIAF CCOC(=O)C(=O)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 40503792 UJODWFSYLOSFTJ-UHFFFAOYSA-N 368.414 4.104 0 1 FIAF O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCCN(C2CCC2)C1 45168304 CPVGQZIJTLJEMH-KRWDZBQOSA-N 374.488 4.433 0 1 FIAF COc1ccc(CN2CCC(CNCCc3ccccc3Cl)CC2)cc1 45202536 HZSGRIBDPRSZEK-UHFFFAOYSA-N 372.940 4.393 0 1 FIAF Cc1cc(N)nc2ccc(CNCCc3ccccc3Br)cc12 45210605 CGPWHNKAZVYHHR-UHFFFAOYSA-N 370.294 4.220 0 1 FIAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@@H]1CC12CCCCC2 45298888 MUBBINBGCICILP-FQEVSTJZSA-N 366.505 4.127 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2 49237223 YGFCQQLWHHYKBO-CQSZACIVSA-N 363.442 4.414 0 1 FIAF CC1=CC2=NC[C@@H](C(=O)c3ccc(-c4ccc(C(=O)O)cc4)cc3)CN2C=C1 49803393 JWHHDEYCGOMQIW-HXUWFJFHSA-N 372.424 4.038 0 1 FIAF O=C(N1CC[C@@H](c2c[nH]c3ncccc23)C1)C1(c2ccc(Cl)cc2)CC1 84713990 SOIBPYGBIPSWPT-CQSZACIVSA-N 365.864 4.264 0 1 FIAF C[C@H]1CCC[C@@H](C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1 95576569 LEBIBPNJIMKQIQ-GXTWGEPZSA-N 359.857 4.142 0 1 FIAF Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccccn1)C1=C(O)CCCC1=N2 102674680 MHOZLYYPYOIGNA-HXUWFJFHSA-N 357.417 4.185 0 1 FIAF COc1ccc(S(=O)(=O)/C=C/c2ccccc2OC(F)(F)F)cc1 103248149 QKCAVJIIRFGSHK-ZHACJKMWSA-N 358.337 4.038 0 1 FIAF CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SCC)nn21 103532627 WXBQHLXLDKLFDD-QGZVFWFLSA-N 370.478 4.460 0 1 FIAF COC(=C\C(C)=C\[C@@H]1CCCc2oc3ccc(O)cc3c21)/C=C/C(N)=O 238758069 YPPBKUTVOZRTRY-PRQPMXPASA-N 353.418 4.076 0 1 FIAF COc1cc(C(=O)c2ccn(-c3cccc(Cl)c3)c2)cc(OC)c1OC 299829175 QLDQZDWSHZLWMQ-UHFFFAOYSA-N 371.820 4.388 0 1 FIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccco1 586990913 IRDPVBVNXMNNLM-UHFFFAOYSA-N 355.349 4.170 0 1 FIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(F)c4[nH]3)cc2N1 587124149 LWSIBOJDEBRUMV-LDWIPMOCSA-N 357.286 4.012 0 1 FIAF Cc1cc(F)c2[nH]c(-c3cc(I)ccc3F)nc2c1 587182605 LJJUVSWRHSQFNP-UHFFFAOYSA-N 370.140 4.421 0 1 FIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(O)cc2[nH]1 587191476 VEGGEBYIESFMMW-QGZVFWFLSA-N 353.422 4.225 0 1 FIAF CCCC[C@H](CC)C(=O)c1c(CO)oc2cc(Br)cnc12 587272835 CHFZZDFHYNWTMA-JTQLQIEISA-N 354.244 4.482 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3oc(C(=O)O)c(C)c31)CC2=O 587475943 BFOVIPUFNZEZFB-OAQYLSRUSA-N 370.401 4.141 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccco3)nc1)CC2=O 587486484 BZNQHIAKIJZMKP-GOSISDBHSA-N 350.374 4.101 0 1 FIAF Nc1ncc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496553 IEDBUXPFFWSXJK-INIZCTEOSA-N 373.250 4.012 0 1 FIAF CCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587533463 UERKSPHMXCTXSR-FQEVSTJZSA-N 370.470 4.066 0 1 FIAF CCc1cnccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585759 HTEKZHIDQQWFFS-DENIHFKCSA-N 361.397 4.227 0 1 FIAF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)O1 587616491 KTZSIVQUSYXYNO-HRAATJIYSA-N 354.402 4.070 0 1 FIAF Cc1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587773930 SJRCPFOVNOQXDG-SGTLLEGYSA-N 363.274 4.284 0 1 FIAF CCOc1ncccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587775374 ZNUOQTXQADVMDI-MGPLVRAMSA-N 365.246 4.006 0 1 FIAF CC(C)CC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814858 WIYVUNNXYJWQFX-APPDUMDISA-N 356.279 4.343 0 1 FIAF CCCCCC[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587830171 TVLDMRWFMZZONH-APPDUMDISA-N 372.278 4.373 0 1 FIAF COc1ccccc1-c1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1 587932344 NYBDBGSXZBLKHP-UHFFFAOYSA-N 356.385 4.487 0 1 FIAF c1ccc2c(CCNCc3ccc(-c4ccc5c(c4)OCO5)o3)c[nH]c2c1 1857554798 ZJSYHDVZJRCHCH-UHFFFAOYSA-N 360.413 4.489 0 1 FIAF CCC(CC)C(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccccc1 2724143 YTQMOCUADAVAEU-OAQYLSRUSA-N 350.462 4.301 0 3 FIAF COc1ccc(C(=O)c2c(C)n([C@@H]3CCCN(C)C3)c3ccccc23)cc1 26277811 OUKBSTBITAPCNA-GOSISDBHSA-N 362.473 4.456 0 1 FIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CSc3ncccn3)C[C@@H]1O2 40420713 ZKVGVVHRNSKCLI-IFIJOSMWSA-N 370.474 4.111 0 1 FIAF C[C@H]1CNCC[C@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 49046097 ARRNZUHFFUCBML-ZFWWWQNUSA-N 360.860 4.122 0 1 FIAF CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccccc1Cl 49112174 RNZARZIVIVVFRK-OAQYLSRUSA-N 371.864 4.007 0 1 FIAF CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc(F)cc2)n1 82139434 ALBRFTJIVOEFKX-KBXCAEBGSA-N 370.472 4.047 0 1 FIAF C[C@H](C(=O)O)c1c(F)cc(C[C@@H]2CCCC2=O)cc1-c1ccc(O)cc1 84725149 RLOAKDJOSNIQNV-WFASDCNBSA-N 356.393 4.298 0 1 FIAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]4[C@H]2[C@@](O)(c2ccc(Cl)cc2)CN34)cc1 100846457 JGWXNVMXDBFNMX-YXIAPDDASA-N 353.893 4.486 0 1 FIAF COc1cc2oc(-c3ccc(N4CCCC4)cc3)cc(=O)c2cc1OC 101304893 JVZYJQBJNRJCEO-UHFFFAOYSA-N 351.402 4.077 0 1 FIAF COc1ccc(-c2nc3n(n2)[C@H](c2cccnc2)C2=C(O)CCCC2=N3)cc1 103541798 JQPPJSAEOJZFEG-LJQANCHMSA-N 373.416 4.020 0 1 FIAF CCC[C@H](Nc1cc(-c2ccc(O)c(OC)c2)ncn1)c1cccnc1 114819419 XSDJZQIMNVRCSN-INIZCTEOSA-N 350.422 4.206 0 1 FIAF COc1c(-c2ccc(O)c(CC=C(C)C)c2)oc2cc(O)cc(O)c2c1=O 117209433 RFPGFYAPDRVXAE-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF C=C[C@](C)(O)CC/C=C(\CO)CC/C=C(/CCC(=C)C(C)C)C(=O)O 150248049 UKRCSBUBFKITSK-NPPIUAQESA-N 350.499 4.406 0 1 FIAF biogenic C[C@H](C(=O)O)c1ccc2c(c1)OCc1cc(C(F)(F)F)ccc1C2=O 169340399 KXZUUEXXNUTQBJ-VIFPVBQESA-N 350.292 4.017 0 1 FIAF NC(=O)c1sc(-c2ccncc2)nc1-c1ccc(Cl)cc1Cl 169342567 CBKKASDTPQWIOV-UHFFFAOYSA-N 350.230 4.278 0 1 FIAF O=[S@@](c1ccccc1)c1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 473144240 AHNARCIHGPZGBW-SANMLTNESA-N 362.410 4.276 0 1 FIAF O=C(O)c1ccccc1/C=C/c1nc2cc(F)cc(Br)c2[nH]1 586880286 PDYACOQYKJTINC-AATRIKPKSA-N 361.170 4.333 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC)c(Cl)cc2[nH]1 586916491 MQFRZEFQDGTPTA-RNODOKPDSA-N 370.836 4.441 0 1 FIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 586948949 VTKMWVNWXOJOML-UHFFFAOYSA-N 367.833 4.173 0 1 FIAF Cc1cnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 586983752 BWUTVTRVTSOPPG-MRXNPFEDSA-N 371.282 4.214 0 1 FIAF CCOC(=O)Cc1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2c1 587017045 RILWVMOUBZMQHC-UHFFFAOYSA-N 367.430 4.360 0 1 FIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587070456 OVAJOKSKLNJTSV-VIFPVBQESA-N 355.656 4.203 0 1 FIAF Cc1onc(-c2nc3nccc(C)c3[nH]2)c1COc1ccc(Cl)cc1 587075488 JPRSMLICYJGZKD-UHFFFAOYSA-N 354.797 4.462 0 1 FIAF Fc1cc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2cc1-n1cccn1 587084395 LQGIWXQXXJOGDK-UHFFFAOYSA-N 353.788 4.016 0 1 FIAF COc1ccc(-c2nc3cc(Br)ncc3[nH]2)c(C(F)(F)F)c1 587095339 DVVINUVHGKCNSS-UHFFFAOYSA-N 372.144 4.415 0 1 FIAF COC(=O)c1cccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587163841 UWQSLVFTTQFREO-UHFFFAOYSA-N 374.371 4.387 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Br)ccc31)O2 587371579 KZKIEODVNJPSBY-SFHVURJKSA-N 358.235 4.147 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Br)ccc3C1)O2 587374892 ZUWLQYFFJZIRSG-LJQANCHMSA-N 372.262 4.233 0 1 FIAF COc1ccc(-c2ccncc2)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587396313 YZBHYFGTFMPCMA-NRFANRHFSA-N 360.413 4.354 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccccc4)o1)[C@@H](C2)C3=O 587456498 WDAURMTZUIOODJ-JTSKRJEESA-N 362.381 4.356 0 1 FIAF O=C(O)CCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521557 IICVAIKOUPNHAM-FQEVSTJZSA-N 366.413 4.125 0 1 FIAF COC1(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCC1 587598470 BAZOYFVVUAIPPU-XLIONFOSSA-N 354.402 4.072 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(O)c2F)N1 587716757 DTGCAQVWJQGSNT-NZFNHWASSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2F)N1 587717980 LXNAYHZFHBRQTH-VPTHRUTESA-N 354.194 4.057 0 1 FIAF Cc1cccc(N)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587750833 VBYHPDZNDMNPOG-ADLMAVQZSA-N 363.274 4.277 0 1 FIAF COc1cccc(OCc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)c1 587780557 CMDYQHGVECBNSV-UHFFFAOYSA-N 366.808 4.213 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3c[nH]cc32)N1 587795480 XKYGTTPKPFZTOE-ZMZPIMSZSA-N 363.274 4.421 0 1 FIAF CCCCc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587796053 ZUXVYCUCIFSYEC-BTDLBPIBSA-N 366.278 4.278 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2)N1 587835459 WXGAAAWBRUHJIG-DYZYQPBXSA-N 350.231 4.092 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)OC(C)C 587862321 JYLCUMRMVZPDPZ-NSHDSACASA-N 356.344 4.031 0 1 FIAF CCCCCNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863638 OJYJWTCOYRMBRC-UHFFFAOYSA-N 371.428 4.490 0 1 FIAF C[C@]1(Cc2ncccc2C(=O)O)NCCc2cccc(-c3ccccc3)c21 962662901 MRCQEEJHLHVRGM-HSZRJFAPSA-N 358.441 4.050 0 1 FIAF CC1(C)CN[C@H](c2cccn2-c2ccc(F)cc2)c2cc3c(cc21)OCO3 963391608 VOZFRCVOSJKGJE-NRFANRHFSA-N 364.420 4.315 0 1 FIAF CCC(C)(C)[C@]1(c2ccccc2F)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963488968 HCQDAYISAYBIKN-HTAPYJJXSA-N 371.452 4.118 0 1 FIAF Cc1cc2c(cc1O)[C@H](c1sc3ccccc3c1Cl)N[C@H](C(=O)O)C2 963493054 VAXWWTLCVDPSIJ-SUMWQHHRSA-N 373.861 4.257 0 1 FIAF CC[C@@H]1[C@@H]2CCCC[C@H]3[C@@H]2[C@@H](C[C@H]3[C@@H]2C[C@H](C)C(=O)O2)[C@@H]2[C@H](C)C(=O)O[C@H]12 2356346632 VLCNUQYQHZUOOD-GHVUXVHJSA-N 374.521 4.214 0 1 FIAF Brc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1 2382241695 BGIRFALWHUKTGP-UHFFFAOYSA-N 370.250 4.098 0 1 FIAF O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(F)cc1)O[C@@H](C1CCCCC1)C2 72122085 LVZOGFJRMXCZOD-WBVHZDCISA-N 360.454 4.183 0 3 FIAF COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(C)c(F)c32)cc1OC 26666002 SYXYMGRUYXGGPS-MRXNPFEDSA-N 354.425 4.062 0 1 FIAF Nc1nc2cc3c(cc2s1)C[C@@H]1[C@H]2CCCC[C@]32CCN1CC1CC1 29549892 OQGLRMIBYLADSW-FQELHTAISA-N 353.535 4.347 0 1 FIAF C[C@H](C(=O)O)c1ccccc1S(=O)(=O)c1ccc(-c2ccccc2)cc1 45301902 HSMGGAWDRKACFW-HNNXBMFYSA-N 366.438 4.375 0 1 FIAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(/C=C/C(N)=O)cc23)cc1 72177991 PWGQNNXSVJTMRP-YRNVUSSQSA-N 373.500 4.366 0 1 FIAF COc1cccc(N(C)Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)n1 72181132 MZZCCHAQXGBWJY-UHFFFAOYSA-N 363.339 4.400 0 1 FIAF COc1ccccc1CNc1cc(Oc2cccc3cccnc23)ncn1 82068315 RHRBOVAAITWGBK-UHFFFAOYSA-N 358.401 4.438 0 1 FIAF CC(C)C[C@@]1(C)OC(=O)c2c1ccn(CCc1ccc(Cl)cc1)c2=O 96909527 UBHVMSNKBYRHMI-HXUWFJFHSA-N 359.853 4.176 0 1 FIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccccc2)cc1 100854128 LEBKYCACZVNCFN-GNAIDKMPSA-N 359.469 4.393 0 1 FIAF CCc1nc(Nc2ccc(CCO)cc2)nc(-c2cccc(Cl)c2)n1 143281893 WKMVCRJLJVVRHA-UHFFFAOYSA-N 354.841 4.033 0 1 FIAF Cc1nn(-c2ccccc2)c2nc3ccccc3c(NCCCN(C)C)c12 169331498 YIHHCFVUBSEBCW-UHFFFAOYSA-N 359.477 4.246 0 1 FIAF COC(=O)[C@H]1[C@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C[C@H]2CC[C@H]1N2C 253638724 OXDFFEQFKNRNGA-MHTWAQMVSA-N 371.427 4.371 0 1 FIAF C[C@@H]1CC[C@@H]2[C@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 253683636 CEQYMIBPHSHBNB-AIVGWRKGSA-N 356.462 4.076 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C(=O)c5oncc5C[C@]4(C)[C@H]3CC[C@]12C 299814238 SKAUQTZOMFSDQC-IYWNDFTNSA-N 371.477 4.204 0 1 FIAF COc1ccc(-c2c(CO)n(Cc3cccc(F)c3)c3ccccc23)cn1 299820458 GYOPDJHHKZCMNB-UHFFFAOYSA-N 362.404 4.392 0 1 FIAF Cc1nc(Br)sc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587010520 BZATZBBIBDDOEU-UHFFFAOYSA-N 363.162 4.171 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCC(=O)O)(c1ccc(F)cc1)O2 587385977 WLVZWSSSNHBLIT-NRFANRHFSA-N 371.408 4.222 0 1 FIAF CCOC(=O)c1[nH]c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587522076 CWNABLKRRUSAJZ-GOSISDBHSA-N 367.445 4.394 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCc1ccccn1 587585615 FGZQRTRHYBCRPN-QUCCMNQESA-N 361.397 4.140 0 1 FIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1cccc(Br)c1 587649712 XSUZUWHSEYTXMT-UHFFFAOYSA-N 364.264 4.309 0 1 FIAF CCCCn1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587760075 NWBYUZVEKIGJHU-PIGZYNQJSA-N 366.278 4.208 0 1 FIAF Cc1cccnc1C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587772832 PCFWUNWORVFHKR-KPZWWZAWSA-N 363.274 4.284 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Cl)s2)N1 587851838 CUSKCERHXXKWSX-QTTZVWFDSA-N 361.667 4.322 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CC(F)(F)F 587861048 LBUXTLFSUOKABJ-UHFFFAOYSA-N 352.234 4.170 0 1 FIAF Nc1c(Br)cccc1-n1c(O)ccc1OCCc1ccccc1 587936962 LYYBLOZYYIDZPO-UHFFFAOYSA-N 373.250 4.149 0 1 FIAF CCCCc1ncc([C@@H]2c3ccsc3CCN2Cc2cccn2C)[nH]1 962372957 KNEABEHHFLOYBF-FQEVSTJZSA-N 354.523 4.300 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(OC)cc2)(c2ncco2)N1 962949263 FCDLOFAXOTYDBA-QMHKHESXSA-N 373.456 4.381 0 1 FIAF Cc1ncoc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963830473 AZYXMSJVZMRXQH-OAQYLSRUSA-N 359.429 4.278 0 1 FIAF CSc1ccc([C@H]2SCC(=O)N2c2ccc3oc(=O)ccc3c2)cc1 1857579822 VIPFRQXJBJUMLE-LJQANCHMSA-N 369.467 4.294 0 1 FIAF C[C@@H](Nc1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C)c1ccc(F)cc1 1857748213 IINAUNKOQHVAPJ-ZIAGYGMSSA-N 353.441 4.333 0 1 FIAF Fc1ccccc1CN1CCOC[C@@H]1c1ncc(-c2cccc(Cl)c2)[nH]1 2356487652 HLRYEKPLZINSOE-LJQANCHMSA-N 371.843 4.443 0 1 FIAF CO[C@H]1O[C@H]2Oc3c(O)c(C(C)C)cc(C=O)c3[C@@]13CCCC(C)(C)[C@H]23 2356600033 WYHKLFVOHQLLTR-YOUFYPILSA-N 360.450 4.113 0 1 FIAF CC(C)Oc1ccc(CCC(=O)N(C)C[C@@H]2CCCN3CCCC[C@@H]23)cc1 2356761423 GPWULONUYSOOOR-UNMCSNQZSA-N 372.553 4.129 0 1 FIAF CC(=O)O[C@@H]1C(=O)C[C@]2(C)[C@@H]3CCc4cocc4[C@]3(C)CC[C@H]2C1(C)C 2356802623 SMKCOMIUBIKXNU-YMYKFTITSA-N 358.478 4.447 0 1 FIAF COc1ccc(OC)c(-c2ccc(-c3cn(-c4ccncc4)nn3)cc2)c1 2382229828 DZLXQMNMVRANRH-UHFFFAOYSA-N 358.401 4.014 0 1 FIAF CC[C@H](C)NC(=O)Nc1ccc2c(c1)N(C)C(=O)c1ccccc1S2 2948128 ANQMJVPVVXLRBE-LBPRGKRZSA-N 355.463 4.348 0 3 FIAF Cc1cc(C)nc(Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)n1 61926202 PJGBSUTYVWCCIU-CQSZACIVSA-N 359.886 4.189 0 3 FIAF CN1CCC([C@@](O)(c2ccccc2)c2ccc(Br)cc2)CC1 6437979 LQVHOPLMWCXWKV-LJQANCHMSA-N 360.295 4.027 0 1 FIAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@@H](C)[C@@H](C)C(=O)O)cc1 13756185 PFLDPOZALLKJHW-JKSUJKDBSA-N 365.477 4.483 0 1 FIAF C[C@@H](CCO)[C@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 28520289 UVFIJTYAZWJSFV-APPDUMDISA-N 374.836 4.152 0 1 FIAF COc1cc([C@@H]2OC[C@H](CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)O2)ccc1O 34055475 ZOGKSXQLOOQXFG-OYPQCIIVSA-N 364.482 4.292 0 1 FIAF endogenous,in-man Cc1cc(-c2ccccn2)cc(C)c1/C=C/c1cncc(-c2nnn[nH]2)c1 36187612 LBJHHPBGZCPQIO-VOTSOKGWSA-N 354.417 4.111 0 1 FIAF NCCCCN(Cc1ccc2ccccc2n1)[C@@H]1CCCc2cccnc21 49784449 VOFGLQCBVYOHJC-JOCHJYFZSA-N 360.505 4.248 0 1 FIAF Clc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1 66259247 DJHSWHVLFCCTID-UHFFFAOYSA-N 362.930 4.313 0 1 FIAF Cc1noc(Nc2sc3c(c2-c2nc4ccccc4s2)CCNC3)n1 84690721 OBXDHWWDPRSHHR-UHFFFAOYSA-N 369.475 4.106 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)/C=C/[C@H](C)C[C@@H](O)C3=C(C)C[C@@H](O3)[C@H]12 103129258 JTCFLJZDNRVMOS-FCWPXGLDSA-N 362.510 4.380 0 1 FIAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccc(F)c1 103948600 ZKMWLWMKBZPYQW-ZDUSSCGKSA-N 357.410 4.257 0 1 FIAF CC(C)(O)C#Cc1ccc2c(c1)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C 114802171 CVRPKVZKSRHHFX-UHFFFAOYSA-N 368.436 4.032 0 1 FIAF CCC/C=C\c1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1 146511968 MXEZMFDQDAPMOI-XGICHPGQSA-N 363.457 4.160 0 1 FIAF CCc1cc(O)nc(SCc2nc3cc(Cl)cc(Cl)c3[nH]2)n1 586966559 IPSFWRKREARRHA-UHFFFAOYSA-N 355.250 4.220 0 1 FIAF Cc1cc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c(C)n1 586998469 KRMBFZBYCLDHLT-ARJAWSKDSA-N 372.222 4.236 0 1 FIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587052469 BQZWYXHXHUCLJF-LLVKDONJSA-N 373.737 4.322 0 1 FIAF CCOC(=O)[C@H](CC(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107119 PKPGNDHGQPBKDO-GOSISDBHSA-N 373.408 4.072 0 1 FIAF COC(=O)c1ccnc2[nH]c([C@H](C)Cc3cccc(C(F)(F)F)c3)nc12 587113532 MQXYVHXUICJWMI-SNVBAGLBSA-N 363.339 4.110 0 1 FIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587117248 QZLFCUNIHDULRS-UHFFFAOYSA-N 369.656 4.049 0 1 FIAF CN(C)c1ncccc1-c1nc2c(Br)cc(Cl)cc2[nH]1 587196171 RNCJDARWJDAPFI-UHFFFAOYSA-N 351.635 4.107 0 1 FIAF Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2n1 587240238 HLKXHKZNNZHNEN-UHFFFAOYSA-N 372.428 4.129 0 1 FIAF Cc1coc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587341718 XHXUGMDGFODKRB-XLIONFOSSA-N 353.349 4.102 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Br)=COc2ccccc21 587371146 DLNAPUYTNLYMEL-GOSISDBHSA-N 372.218 4.067 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ncccn1)CC2=O 587488060 GXFUMAQROVBNKZ-QFIPXVFZSA-N 360.413 4.044 0 1 FIAF CC(=O)NCc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531560 LVLGNFVYQYTBMT-NRFANRHFSA-N 369.486 4.144 0 1 FIAF CCO[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601105 QYNSIMURLDMTIZ-OPYAIIAOSA-N 354.402 4.072 0 1 FIAF C[C@]1(c2ccccc2C=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604042 UEOAGGCZVFVWEO-DENIHFKCSA-N 360.365 4.082 0 1 FIAF COc1cccc(F)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587722910 UIMRBWLWFOESHI-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587934669 DQNZITMKPJBQDU-VPTHRUTESA-N 352.768 4.340 0 1 FIAF COc1ccc(C2(c3nc4c(Cl)ncnc4[nH]3)CC3(CCC3)C2)cc1 587938533 WXSGTPODWYIXFS-UHFFFAOYSA-N 354.841 4.265 0 1 FIAF CC(C)(C)Oc1ccc(O)n1-c1cc2cnccc2c(Br)n1 587940010 HBJKJJBMLURWHV-UHFFFAOYSA-N 362.227 4.066 0 1 FIAF Cc1cc2c(cc1F)[C@@]1(CCc3c(Br)ccc(F)c31)NCC2 962090262 IAJKEEOGZDVNDY-GOSISDBHSA-N 364.233 4.371 0 1 FIAF Cc1c(F)ccc2c1[C@](c1cccc(C3OCCO3)c1)(C1CCC1)NCC2 962095999 ZCOFVCCSSTXKJV-HSZRJFAPSA-N 367.464 4.369 0 1 FIAF COc1cc2c(cc1OC)[C@@](C)(CC(=O)c1ccccc1F)N(C)[C@@H](C)C2 962623633 KOOBCCNXQRZVEH-RCDICMHDSA-N 371.452 4.208 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]21[C@@H](C)[C@H]2C[C@H](CO)C[C@@H](C2)[C@H]1C 963269304 HYNDNCDRWRTYCG-TZZQQRSASA-N 363.929 4.000 0 1 FIAF C[C@@H](N=c1[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]c2ccccc12)C1CC1 1857769262 LSMKBOZJAWCJNL-LLVKDONJSA-N 356.832 4.220 0 1 FIAF C[C@]12CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]1CC[C@](C)(CC(=O)O)O2 2356499429 DIOJOCARQQZEDG-NQYOZRFVSA-N 352.471 4.096 0 1 FIAF COC(=CC(=O)N(C)[C@H](Cc1ccccc1)c1nccs1)CC(C)C 2356831977 HYUCTGGBSLQJEX-GOSISDBHSA-N 358.507 4.462 0 1 FIAF CC[C@@H](CO)Oc1cc(NC(=O)c2ccccc2)c2ncn(C(C)C)c2c1 36389249 KLGJFSFFAREHKR-INIZCTEOSA-N 367.449 4.019 0 3 FIAF Cc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2cccs2)n[nH]1 1046803 HUNAFKUGDBHPEN-UHFFFAOYSA-N 365.480 4.138 0 1 FIAF Fc1cccc(-c2nnc3n2N=C(c2ccc(Cl)s2)CS3)c1 3911158 LMYUGKUICAJOGO-UHFFFAOYSA-N 350.831 4.157 0 1 FIAF C[C@@H]1C[C@@](C)(C(=O)c2ccc3c(c2)OCO3)C=C1c1ccc2c(c1)OCO2 8682281 IOSAAFIPMQXNTE-MCMMXHMISA-N 364.397 4.456 0 1 FIAF COc1ccc([C@@H]2COc3c(ccc(O)c3CC=C(C)C)C2)c(OC)c1O 14762820 WEMQLGFQFNBABO-HNNXBMFYSA-N 370.445 4.342 0 1 FIAF biogenic O=C(O)COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 26396083 USFIAXIXPDZRKZ-UHFFFAOYSA-N 355.177 4.101 0 1 FIAF Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C1CC1 28523718 FFBYEYMJCYSSFD-UHFFFAOYSA-N 364.420 4.184 0 1 FIAF Oc1cccc(C[C@@H](c2ccccc2)N2CCN(c3ccccc3O)CC2)c1 29469698 ZRHXNOFZTISVFR-QHCPKHFHSA-N 374.484 4.204 0 1 FIAF C[C@@H](Oc1ccc(Sc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O 29472006 OVNJBDVGNTZOFS-SNVBAGLBSA-N 360.822 4.286 0 1 FIAF O=C(CN1CCC(c2ccccc2)CC1)Nc1nsc2ccccc12 40917173 XORSTLUCBZATGK-UHFFFAOYSA-N 351.475 4.114 0 1 FIAF Cc1cc(CCN(C)C)ccc1Nc1nccc(-c2c[nH]c3ncccc23)n1 72175640 AJXWMOBTVSWXRF-UHFFFAOYSA-N 372.476 4.176 0 1 FIAF C/C=C/[C@@H]1Oc2c(-c3ccccc3)cn(OC)c(=O)c2[C@H]2[C@H](C)CCC[C@H]21 85598819 ORZSZSIBAZFLLT-NGNDUIQYSA-N 365.473 4.431 0 1 FIAF O=C(O)[C@@H]1CCCN(CCO/C=C\c2ccccc2Cc2ccccc2)C1 96923640 ZYHNOHYSMANAKL-OOZJCBPQSA-N 365.473 4.061 0 1 FIAF Cc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3nccs3)c2)c(F)c1 113766919 YBSRMOKDLSFADM-CYBMUJFWSA-N 370.449 4.035 0 1 FIAF Cc1nn(C)c(C)c1-c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144888901 YJJSLNXEVHRLLG-LJQANCHMSA-N 358.363 4.483 0 1 FIAF O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@@H]2CCCNC2)cc1Cl 149952147 VPCILIVSNHJPLB-GFCCVEGCSA-N 365.264 4.499 0 1 FIAF COc1cc(C)c(-c2csc(NC(=O)c3ccnc(F)c3)n2)c(C)c1 169343836 NBFFDYZQATVCDA-UHFFFAOYSA-N 357.410 4.222 0 1 FIAF O[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)c1ccccc1Cl 587060044 ZHWHEMRHFJHACW-CYBMUJFWSA-N 355.594 4.200 0 1 FIAF Cc1cc(Cl)cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587133156 YUGOBZTYQJHUSV-LLVKDONJSA-N 371.815 4.494 0 1 FIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc(Cl)c3[nH]2)cc1 587245374 UZFUWPZNKUIFBV-UHFFFAOYSA-N 366.808 4.356 0 1 FIAF N=c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c2ccccc2[nH]1 587254370 RZBDXTJEQCONEN-UHFFFAOYSA-N 374.629 4.002 0 1 FIAF Cc1cc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2cc1Br 587254732 XOAGHDKGUXIERQ-UHFFFAOYSA-N 353.223 4.262 0 1 FIAF CN(C)CCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331125 ALSYMHUYNYHYMI-RBBKRZOGSA-N 371.452 4.381 0 1 FIAF CCOc1cc(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O 587401238 UOQCDOPVSXTALS-NRFANRHFSA-N 355.434 4.038 0 1 FIAF CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587402206 ARHLOZXNMJHNPB-SAWYMBPVSA-N 351.446 4.264 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(C)cc21 587407738 KUARCOPXAXFAIR-XMMPIXPASA-N 369.420 4.339 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCOc4ccc(Cl)cc41)[C@@H](C2)C3=O 587422365 PGPXSNCBCOYBNJ-MGPUTAFESA-N 356.805 4.164 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N(C)c1ccccc1)CC2=O 587469335 NLEIHOBSJQGRIB-JOCHJYFZSA-N 367.445 4.122 0 1 FIAF C[C@@]1(CC(=O)Nc2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502924 IWLWHITUICDPHR-QFIPXVFZSA-N 367.420 4.457 0 1 FIAF CCc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587615115 VWTSIJMAIATKOO-APWZRJJASA-N 353.399 4.114 0 1 FIAF C[C@]1(c2ncc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620354 YJORWRYNCHYNKY-KDOFPFPSSA-N 373.817 4.379 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2N)N1 587694953 IOLCMEALNPPXIN-VPTHRUTESA-N 369.665 4.447 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(O)c2)N1 587722634 ZCQDHFMWSRJGMH-BCTVWOGZSA-N 354.194 4.057 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2ccccc2F)N1 587726281 HWYMQKKNPYDWBT-MGPLVRAMSA-N 368.221 4.382 0 1 FIAF CCc1cnccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587770500 AGHPYQYPDZCWCC-ZMZPIMSZSA-N 363.274 4.343 0 1 FIAF Cc1ccncc1CC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587774002 KRQAYSPWWBWPBN-MLGOLLRUSA-N 363.274 4.500 0 1 FIAF CCOC1=C(C)[C@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587801374 KWTUFZPWHCQKJO-BTDLBPIBSA-N 354.263 4.422 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncccc3[nH]2)N1 587802350 LMGWTQSTTGLDIH-XYZCENFISA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc[nH]c3n2)N1 587802965 ORYBFJUWSFSCEY-JDNHERCYSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cnccc23)N1 587807616 XQXSJXHLBXXTNK-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C2(C)CC2)N1 587816149 UUPACLCDJNEAQI-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(O)cc2)N1 587834637 SPVBOZQMDCGACB-ZMZPIMSZSA-N 364.258 4.286 0 1 FIAF COc1ccc(CCCc2nc3cc(C(F)(F)F)cnc3[nH]2)c(OC)c1 587929130 RIVNLLSFSPRZOD-UHFFFAOYSA-N 365.355 4.169 0 1 FIAF O=C(Cc1c[nH]c2ccc(O)cc12)N1CCC(Cc2ccc(F)cc2)CC1 653716310 YISRNPOTIDXDJL-UHFFFAOYSA-N 366.436 4.036 0 1 FIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(C)(C)C)c2cn1)c1ccccc1 1772613478 XEHVTZJOEVLDFO-GFCCVEGCSA-N 352.442 4.051 0 1 FIAF COc1ccc([C@H](N)Cc2c(C)[nH]c3ccc(Br)cc23)cc1 1857537071 AQJWTDAWZNCKSB-QGZVFWFLSA-N 359.267 4.490 0 1 FIAF C[C@@H](NC(=O)N1C(=O)C[C@H]1Sc1ccc(F)c(F)c1)c1ccccc1 1857601693 HQUZRTXXHWRYCN-PIGZYNQJSA-N 362.401 4.086 0 1 FIAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CC=CC=Cc4ccccc4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356626885 NOUPIFUCBJJMRR-KWEHEGDVSA-N 374.480 4.332 0 1 FIAF CCCC(=O)c1c(O)ccc([C@H]2C[C@@H](C)Oc3cccc(OC)c32)c1O 2356845050 OAWMMWGPMODBFV-TZMCWYRMSA-N 356.418 4.392 0 1 FIAF CC(C)(C)OC(=O)c1ncn2c1CN=C(c1ccccc1)c1ccsc1-2 2382261837 AYVIBCQKKVXEEZ-UHFFFAOYSA-N 365.458 4.240 0 1 FIAF CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 599059 IQEQNVRDAVMDJB-QGZVFWFLSA-N 357.325 4.115 0 1 FIAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCN(CC)CC 4212538 QLSHMMROZWYTAD-RTWAWAEBSA-N 373.541 4.159 0 1 FIAF CCCCN1C(=O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)C1=O 5783578 SZYDQVLZIFYHKM-URFJDIBFSA-N 369.505 4.317 0 1 FIAF Cn1cccc1CCNC(=O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 13451353 MXIABTDFHLAMNE-YJBOKZPZSA-N 358.869 4.070 0 1 FIAF COc1ccc(OC(=O)[C@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@H]2N3C)cc1 13740259 IUPUVKOJONOTAC-UPZYVNNASA-N 365.473 4.176 0 1 FIAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2cccs2)O[C@@H]1c1cccnc1 27751224 TZGFTCJPPBRFFT-OBPSWUCTSA-N 359.447 4.357 0 1 FIAF CC[C@]1(c2cccc(OC(=O)c3ccccc3N)c2)CCCCN(C)C1 28522296 BZLACEMWEQMDSV-QFIPXVFZSA-N 352.478 4.252 0 1 FIAF CC1(C)[C@H](O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O 49286831 QJRNEHJGTLWRJJ-BVYMYZFFSA-N 353.506 4.310 0 1 FIAF in-vivo O=C(Cc1ccc(F)cc1)Nc1cc(OCc2ccc(F)cc2)ccn1 95590627 UXWBWBBIYMDFNR-UHFFFAOYSA-N 354.356 4.120 0 1 FIAF Cc1ccc(C(=O)O[C@H]2[C@@H](C)Nc3ccccc3[C@H]2N2CCCC2)cc1 96941846 XOERYRDAIBYLLQ-HBGVWJBISA-N 350.462 4.172 0 1 FIAF CC(C)(C)Nc1nc(NC(C)(C)C)nc(-c2cccc(C(F)(F)F)n2)n1 223123638 GSAWFHLLQMRJAD-UHFFFAOYSA-N 368.407 4.373 0 1 FIAF COc1cc2cc(C)c(C(=O)O)c(-c3ccc4c(c3)OCO4)c2cc1OC 238759586 SKWQFTDHIVNBRY-UHFFFAOYSA-N 366.369 4.259 0 1 FIAF CCCCCOc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br 586912058 PMFCHFDZQRNIEN-LLVKDONJSA-N 353.260 4.398 0 1 FIAF N=c1[nH]c(-c2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)cs1 587021653 ORBJGAZWGWTOIL-UHFFFAOYSA-N 361.352 4.180 0 1 FIAF COc1cc(OC)c2[nH]c(Cc3ccc(C)c(C(F)(F)F)c3)nc2c1 587095849 XICUHIIBZDPRSG-UHFFFAOYSA-N 350.340 4.498 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1C[C@H](C(=O)O)C[C@@H]31 587205714 CZPVPMSYPWTWCH-MQIPJXDCSA-N 355.393 4.197 0 1 FIAF NC(=O)Nc1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587241286 ARZJYKSMVMLFNL-UHFFFAOYSA-N 365.618 4.136 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)c(C)c1)[C@@H](C2)C3=O 587414422 VFJZAXKIYWPAKJ-IFXJQAMLSA-N 373.246 4.429 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cccc(Cl)c1)[C@@H](C2)C3=O 587419187 JWADHBHZXPLWDM-VBKZILBWSA-N 366.804 4.227 0 1 FIAF CC[C@@]1(c2ccc([C@H](C)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441886 ULIOYRVKYNOQMX-CYYCYGDNSA-N 352.430 4.456 0 1 FIAF CCCc1c(O)ccc2c1OC(c1cccnc1)(c1cccnc1)CC2=O 587492860 YAPZFHWJQGCVSS-UHFFFAOYSA-N 360.413 4.044 0 1 FIAF O=C1C[C@H](c2ccc(N3CCCC3)nc2F)Oc2c1ccc1c2CCCC1 587504511 HMKSQKKCPZQNOC-LJQANCHMSA-N 366.436 4.406 0 1 FIAF COCCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522978 MGWPSDHMUFKQSC-HSZRJFAPSA-N 366.457 4.471 0 1 FIAF C[C@@]1(c2cccc3sc(=N)[nH]c23)CC(=O)c2ccc3c(c2O1)CCCC3 587537283 CJGDMIBGOZFAME-NRFANRHFSA-N 364.470 4.468 0 1 FIAF Cc1ncc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551734 JBRIRVCTDBQYMA-YLJYHZDGSA-N 367.788 4.452 0 1 FIAF Cc1cc(O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611327 SEYLHFITCGMAIF-KNQAVFIVSA-N 362.381 4.283 0 1 FIAF Cc1nn(C)cc1-c1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(F)(F)F 587629935 OGABHGKNGFMHNS-UHFFFAOYSA-N 359.710 4.414 0 1 FIAF CCOC(=O)CCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800491 YABDZKSHFIKXSZ-PIGZYNQJSA-N 372.278 4.071 0 1 FIAF Cc1ncc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587856766 XXHRXRLDTFIWKF-GLEZIHRCSA-N 355.276 4.151 0 1 FIAF O=C(CCc1ccccc1)c1nc2c(F)c(F)c(Br)cc2[nH]1 587953615 NNASFLWCLSPAOD-UHFFFAOYSA-N 365.177 4.419 0 1 FIAF Cc1cccc2c3c([nH]c12)[C@@]1(CCC3)c2ccsc2CCN1C(N)=O 962720869 YGFRHIRUVLTBHT-HXUWFJFHSA-N 351.475 4.055 0 1 FIAF C[C@@]1(c2nc(Br)cs2)c2ccc(F)cc2C[C@H]2CCCN21 963110523 VPEWADYYLSDBGJ-WBMJQRKESA-N 367.287 4.329 0 1 FIAF CC(=O)Nc1ccc([C@H]2c3cccc(Br)c3CCN2C)s1 963288727 FVYYGAUWSSANNG-MRXNPFEDSA-N 365.296 4.046 0 1 FIAF O=C1C[C@@H]2c3ccccc3O[C@@H]3c4ccc(O)cc4-c4c(O)cc(O)c1c4[C@@H]23 2356480142 QPKCEEFQPFTYIX-HCVAFPHWSA-N 372.376 4.371 0 1 FIAF CC=C(C)c1c2c(c(C)c(O)c1C(=O)O)OC(=O)c1c(C)cc(O)cc1O2 2356608108 DFNFONZYWQXTIJ-UHFFFAOYSA-N 370.357 4.161 0 1 FIAF O=c1c2cc(Cl)ccc2ncn1Cc1cnc(NC2CCCCC2)s1 2382219047 ZTIMJYZILAMEID-UHFFFAOYSA-N 374.897 4.299 0 1 FIAF COc1cc(N=c2cc(C)nc(-c3ccccc3)[nH]2)ccc1Br 2382223396 WQHLBAQOVRSHMA-UHFFFAOYSA-N 370.250 4.389 0 1 FIAF CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc(Br)cc1 987945 YIGUHYQRILTCJD-UHFFFAOYSA-N 369.218 4.068 0 3 FIAF aggregator CCN(CC)CCOc1cccc(Nc2nccc(-c3cccnc3)n2)c1 26659699 JULPLOWTMLDKMG-UHFFFAOYSA-N 363.465 4.003 0 1 FIAF CCN(CC)CCNc1nccc(OCc2ccc(Cl)cc2Cl)n1 28522928 SDTAZXZEGBFDBP-UHFFFAOYSA-N 369.296 4.116 0 1 FIAF CSc1ccc(OCc2nnc3sc(-c4ccccc4)nn23)cc1 28708990 QKYKAFBRRIDSSU-UHFFFAOYSA-N 354.460 4.154 0 1 FIAF O=C1[C@@H]2Nc3ccc(Br)cc3[C@@H]2N=CN1CCC1=CCCCC1 40917151 CCOPSCZJPVCEHX-DLBZAZTESA-N 374.282 4.045 0 1 FIAF Cc1ccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)cc1 43079594 VLOIKNXQTLFVIH-UHFFFAOYSA-N 369.553 4.385 0 1 FIAF FC(F)(F)Oc1ccc([C@@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 49055425 FBDXSHRSQKPJSV-HOTGVXAUSA-N 370.334 4.447 0 1 FIAF c1ccc(CCNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1 95571434 MAJTYCMZKVEQLD-UHFFFAOYSA-N 353.429 4.255 0 1 FIAF O=C(O)[C@H]1CCCN(CCO/C=C\c2ccccc2Cc2ccccc2)C1 96923639 ZYHNOHYSMANAKL-QKWZMAAQSA-N 365.473 4.061 0 1 FIAF Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCC(F)CC3)cc12 118596419 QVZKQFXSTMMYJT-UHFFFAOYSA-N 366.849 4.121 0 1 FIAF CC(C)CCN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2cc(Cl)cc(Cl)c2)C1 169314229 LUMJFYQEUQLNSP-MORSLUCNSA-N 369.336 4.480 0 1 FIAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)c1 586921855 OHBZOWMITPPKCP-UHFFFAOYSA-N 356.491 4.245 0 1 FIAF COc1cc(OC)c2[nH]c(Cc3ccc(Br)c(C)c3)nc2c1 586975558 DXBYYSYCOWULOT-UHFFFAOYSA-N 361.239 4.242 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(-c3c[nH]cc3-c3csc(C)n3)nc2c1 587022085 UHWRJPHVUVKKMX-UHFFFAOYSA-N 372.837 4.430 0 1 FIAF Cc1nc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2cc1Br 587079165 AKSLSYDCLNSGDJ-ZDUSSCGKSA-N 364.630 4.358 0 1 FIAF CSc1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587111736 ORFJZSMYBVQBQZ-UHFFFAOYSA-N 365.380 4.234 0 1 FIAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cnncc3[nH]2)c(Cl)c1 587157550 AIKATCXRBBWXSO-QGZVFWFLSA-N 354.772 4.314 0 1 FIAF O=C(Nc1cccc(-c2nc3nc(Cl)c[nH]c-3n2)c1)c1ccc(F)cc1 587163431 PLHGJWTYWMQKOX-UHFFFAOYSA-N 367.771 4.016 0 1 FIAF CC(C)(C)OC(=O)N1CCC2(CC1)Cc1nc3cccc4c3c(c1C2)CC4 587212000 KFADHIJVYOJLKP-UHFFFAOYSA-N 364.489 4.449 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccncc4)cc1F)[C@@H](C2)C3=O 587425810 HVMYIYCZWIDKIF-JTSKRJEESA-N 361.372 4.385 0 1 FIAF CCCOc1ccc2[nH]cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 587436689 AHSZLDGVRXSEQA-ZHRRBRCNSA-N 363.413 4.454 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@]1(c3ccccc3)CCOC1)CC2=O 587486619 LZMOPWWFNMONAU-IFMALSPDSA-N 352.430 4.037 0 1 FIAF Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2ncnc(Cl)c21 587503059 WGWVYGZWWAIWDB-KRWDZBQOSA-N 367.836 4.207 0 1 FIAF COc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601600 UCAJVEBOMXYCNG-REWPJTCUSA-N 374.392 4.204 0 1 FIAF CCc1cc(O)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609700 PDYWLICELLMOKO-DENIHFKCSA-N 362.381 4.363 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)cs1 587610191 FIESUGVZJVEREB-BBRMVZONSA-N 359.790 4.205 0 1 FIAF CCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611291 HUXVABIONUXTET-APWZRJJASA-N 353.399 4.114 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccco1)c1ccco1 587616631 LINYMYHPINODNX-IBGZPJMESA-N 374.348 4.484 0 1 FIAF CCn1ncc(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587699518 SOSCIFAVBOBJGP-RMLUDKJBSA-N 372.669 4.082 0 1 FIAF COC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796289 SYWSMJXPHHOHSC-KPZWWZAWSA-N 364.258 4.012 0 1 FIAF COc1ccccc1C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587807777 MHHCSXXKJMTQAV-APPDUMDISA-N 364.258 4.415 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2N)N1 587841322 AOKARWMMYORRGN-GLEZIHRCSA-N 355.276 4.030 0 1 FIAF Nc1c(Br)cccc1-n1c(O)ccc1OCc1ccccc1 587937062 NCIRESKVWXLSPK-UHFFFAOYSA-N 359.223 4.107 0 1 FIAF COc1ccc2c(c1)[C@@H]([C@H]1CCCN1C(=O)OC(C)(C)C)N(C(C)C)CC2 962095492 ZFDBMVGAEHDYHN-UXHICEINSA-N 374.525 4.402 0 1 FIAF COc1ccc2c(c1OC)[C@](c1ccccc1)(c1cc[nH]c1)N(C)[C@@H](C)C2 962574989 VDMHAZWIIJOLMV-HJPURHCSSA-N 362.473 4.200 0 1 FIAF OC[C@@]1(c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963113751 ZSYFJZCRUPOYFT-HNAYVOBHSA-N 366.263 4.389 0 1 FIAF N[C@H](COc1cccc(F)c1Oc1ccc(Cl)cc1)C1CCOCC1 1772627542 WUKVRTBDUWKUNF-QGZVFWFLSA-N 365.832 4.404 0 1 FIAF C=CC(=O)Nc1cccc(-c2nc(NCc3c(F)cccc3Cl)n[nH]2)c1 1772633416 YFVRNHCFDWIILZ-UHFFFAOYSA-N 371.803 4.001 0 1 FIAF COc1cc(CC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc(OC)c1 1857600962 SRMODQRRTCLNPT-UHFFFAOYSA-N 368.429 4.322 0 1 FIAF CC(=O)Oc1ccc2c(c1)O[C@@H]1c3ccc4c(c3OC[C@H]21)C=CC(C)(C)O4 2356422839 KNGZVZWMGYZZIN-DYESRHJHSA-N 364.397 4.406 0 1 FIAF CCCCC[C@H]1CN(CCCC)C(=O)[C@@H]1CC(=O)NCc1ccccc1 15937346 DPPLIQXRRGJNBW-VQTJNVASSA-N 358.526 4.148 0 3 FIAF CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1 8608362 VAMZMUWYSTWJPU-UHFFFAOYSA-N 368.458 4.040 0 1 FIAF CC(C)n1c(=O)n(C)c2cc(-c3ocnc3-c3ccc(F)cc3)ccc21 13672574 OXLPMUKQYFIPBW-UHFFFAOYSA-N 351.381 4.382 0 1 FIAF O=C(O)CCCCCOc1ccc2c(=O)cc(-c3ccc(O)cc3)oc2c1 13864265 DEUQPDMPHMLRFR-UHFFFAOYSA-N 368.385 4.189 0 1 FIAF COc1ccc(-c2nnc(CCC(=O)c3ccc(C)cc3C)o2)cc1OC 43077793 ZFYDBXNQELDDNV-UHFFFAOYSA-N 366.417 4.186 0 1 FIAF CCO[P@]1(=O)OC(C2CC2)=C(Br)c2ccc(OC)cc21 49048615 FJVULKWLDRRSSK-FQEVSTJZSA-N 359.156 4.054 0 1 FIAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCC3)nnc2c1 84703673 MCBRIRDRFHFZOR-UHFFFAOYSA-N 364.424 4.004 0 1 FIAF c1cc2[nH]cc(-c3cncc(C4CC4)n3)c2cc1-c1nnc(N2CCCC2)o1 145432023 HTMBVCFZCSVVSW-UHFFFAOYSA-N 372.432 4.153 0 1 FIAF CN(C)c1nc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c12 299833557 PZQCZWUGGCYOMV-UHFFFAOYSA-N 365.387 4.218 0 1 FIAF Oc1nc(SCc2cccc(F)c2F)nc(C2CC2)c1Br 299833881 AKIVLSXEDGOFOO-UHFFFAOYSA-N 373.222 4.393 0 1 FIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(N)ccnc2[nH]1 587035266 QZSMBWXVNXXKCQ-ZDUSSCGKSA-N 365.462 4.026 0 1 FIAF Fc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c(F)c1F 587077745 ZFNZNQFYKCQQOC-GFCCVEGCSA-N 351.715 4.251 0 1 FIAF COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)CC(C)(C)O2 587410934 HLZWMHHGKIFFPP-OAQYLSRUSA-N 353.418 4.008 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1sc(-c4ccncc4)nc1C)[C@@H](C2)C3=O 587450397 KDBKUVSEOCKMAC-KSSFIOAISA-N 364.426 4.011 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(=O)OCC)c1)CC2=O 587476899 BKRDXXVCJBJUSG-QFIPXVFZSA-N 368.429 4.402 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC(C)=O)c1)CC2=O 587483691 RPUVIQAFZSGZFG-FQEVSTJZSA-N 354.402 4.019 0 1 FIAF CC(=O)Nc1ccc2c(c1)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511330 JXWDUZOWFBUISW-QHCPKHFHSA-N 361.441 4.331 0 1 FIAF O=C1C[C@@H](c2cnc(N3CCCCC3)nc2)Oc2c1ccc1c2CCCC1 587513365 JJYZUWXOBLCCFF-FQEVSTJZSA-N 363.461 4.052 0 1 FIAF COc1ccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587516626 YSKPBLZUFKNCAA-QGZVFWFLSA-N 351.446 4.244 0 1 FIAF C[C@@H]1CCCCN1C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517979 YEFXRJHJCZBVEK-IVZQSRNASA-N 355.478 4.080 0 1 FIAF Clc1ncc(Br)c2nc(CCOCc3ccccc3)[nH]c12 587566046 RFCUTMWXIYKFIK-UHFFFAOYSA-N 366.646 4.133 0 1 FIAF CC[C@@]1(C2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587834852 MQENYTUAZZHQQL-GTNSWQLSSA-N 356.279 4.154 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2)N1 587835213 VRFADZPWKCRVPT-DYZYQPBXSA-N 350.231 4.092 0 1 FIAF Cc1ncc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587851831 CUEGRWSUOFUJMF-VXJOIVPMSA-N 355.276 4.151 0 1 FIAF Cc1ncsc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587855288 UIYVATVRECOAGU-VXJOIVPMSA-N 355.276 4.151 0 1 FIAF CCOc1ccc(OCC)n1CC1CCN(Cc2ccc(F)cc2)CC1 587944981 COIADCZFPXHHBS-UHFFFAOYSA-N 360.473 4.337 0 1 FIAF CCO[C@@H]1C[C@]2(c3ccsc3CCN2Cc2cccnc2)C12CCC2 963009295 LZPLSARYVGTSJE-CTNGQTDRSA-N 354.519 4.376 0 1 FIAF Cc1sc2c(c1C)CCN[C@]21C2CCN(CC2)[C@@H]1Cc1ccccc1F 963011364 PLXJQJCVADCREC-IRLDBZIGSA-N 370.537 4.182 0 1 FIAF CC[C@]1(c2ccccc2Cl)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963220641 FDEZZGCIWDBJDA-PZJWPPBQSA-N 366.848 4.141 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]21CCCc2cc(NC(C)=O)ccc21 963260823 ZTTUOFJIAPCNID-OAQYLSRUSA-N 370.880 4.033 0 1 FIAF CCn1c(S)nnc1Cn1c(C2CC2)nc2cc(Cl)c(Cl)cc21 1772571850 HJXYSSSQPOWHML-UHFFFAOYSA-N 368.293 4.169 0 1 FIAF C/C=C/C[C@H](C)C[C@]1(C)Oc2c(-c3ccc(O)cc3)cnc(O)c2[C@H]1O 2382261041 YEPWHNWXZSEUJV-DDBVDEEDSA-N 355.434 4.337 0 1 FIAF C[C@H](CCc1ccccc1)NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1 4928530 SZGSUDJBWBTZNU-CQSZACIVSA-N 369.852 4.065 0 3 FIAF Cc1occc1C(=O)N[C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 12836639 XEIDUXIHXQRCMW-FQEVSTJZSA-N 354.494 4.181 0 3 FIAF COc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccc(O)cc12 589207 NJMQLXXWUGNTGR-UHFFFAOYSA-N 366.200 4.409 0 1 FIAF Clc1cc2nc(C3CCNCC3)n(Cc3cccnc3)c2cc1Cl 3639586 QYVIFRUMPSWENH-UHFFFAOYSA-N 361.276 4.253 0 1 FIAF CC(=O)N1CCc2c([nH]c3ccc(Br)cc23)[C@@H]1c1ccccc1 5602124 CBMFCUHTQKAALP-IBGZPJMESA-N 369.262 4.424 0 1 FIAF Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CCC(N2CCCCC2)CC1 6818463 IWKTVKPAKRERQR-UHFFFAOYSA-N 369.484 4.220 0 1 FIAF COC(=O)[C@H](C)[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 26391186 JABZAHXSNKLWRQ-IHGGMVMOSA-N 373.537 4.051 0 1 FIAF CC(C)c1ccc(-c2ccc(F)cc2F)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26835346 FZPCAVZWUCPNEC-HUUCEWRRSA-N 363.404 4.013 0 1 FIAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3cccn3CC)cc2)C[C@@H]2CC[C@H]1N2C 27549862 ZEBKVNWXQZNPAB-PSBKLILYSA-N 366.505 4.304 0 1 FIAF CCCc1c(F)c(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)CC3=O 29133191 YIYQMXYKTNTQLX-SNVBAGLBSA-N 372.392 4.423 0 1 FIAF CCCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 32221009 QETAQJKVCACISO-JQBYJRRVSA-N 359.469 4.459 0 1 FIAF CC(C)N1CCC(Oc2ccc3c(C(=O)N4CCCC4)cccc3c2)CC1 40917096 DCIFTBTYUMRCRJ-UHFFFAOYSA-N 366.505 4.327 0 1 FIAF C[C@](O)(c1ccc(S(=O)(=O)c2ccccc2C2CC2)cc1)C(F)(F)F 64560690 OXRBPNUVVBGCFO-KRWDZBQOSA-N 370.392 4.167 0 1 FIAF O=C(O)c1cc2ccc(-n3c(S)nnc3-c3ccccc3)cc2s1 96273173 CVBLIZLAAPUXPK-UHFFFAOYSA-N 353.428 4.136 0 1 FIAF CCOC(=O)/N=c1/sc2c(n1-c1cccc(C(F)(F)F)c1)CCC2 103272204 HPSCZUYOHUXAMQ-XSFVSMFZSA-N 356.369 4.104 0 1 FIAF CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@]2(C)CC[C@](C)(O)C(C)(C)C 169332752 CXURXMFUAVXDOC-ADHNFCLRSA-N 359.554 4.494 0 1 FIAF NCc1ccc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1 203209594 CBGYTJIXVNBJPY-UHFFFAOYSA-N 364.876 4.438 0 1 FIAF CCCC[C@H](O)CSC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 253685122 HUOIPUKSNAXOPY-JGGMNNRPSA-N 370.555 4.266 0 1 FIAF Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)C)c3ccccc23)c(O)n1 474604828 FIRTTWLRGQQVTR-UHFFFAOYSA-N 351.450 4.178 0 1 FIAF O=C(c1ccccc1)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 586909660 ZWPOYZCOURPYDA-MRXNPFEDSA-N 370.408 4.375 0 1 FIAF Cc1ccc(-n2cnnc2SCc2nc3cncc(C)c3[nH]2)cc1Cl 586967916 IWEOONFYUCASDB-UHFFFAOYSA-N 370.869 4.101 0 1 FIAF CCOC(=O)C[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989903 SBRSCBVHJSDACQ-LBPRGKRZSA-N 373.408 4.135 0 1 FIAF N=c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c[nH]1 587041463 ZHGNIYGVZNEKGG-UHFFFAOYSA-N 359.458 4.216 0 1 FIAF CCOC(=O)[C@@H](CC(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107120 PKPGNDHGQPBKDO-SFHVURJKSA-N 373.408 4.072 0 1 FIAF CO[C@]1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C 587353663 RPTREOJIODQMLP-QIJUGHKUSA-N 370.420 4.464 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccccc1Br)[C@@H](C2)C3=O 587411630 FPUTYAJSSSQRHJ-LIRRHRJNSA-N 373.246 4.207 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1N1CCCC1)[C@@H](C2)C3=O 587421801 NDTKYDGLKYYZKM-QKKBWIMNSA-N 369.848 4.438 0 1 FIAF COc1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587455313 MFBIPFRXKWEBLK-OPAMFIHVSA-N 362.381 4.453 0 1 FIAF CCOC(=O)[C@H]1CC[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587520747 BCDFNQHFBUJWNO-JXXFODFXSA-N 356.462 4.269 0 1 FIAF COc1cc(OC)cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525546 PUIBAYRWQCLJFM-JOCHJYFZSA-N 352.430 4.463 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cn(C)nc23)N1 587757212 GGZXYVDEABPBBK-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF Cc1ccn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc2c1 587772679 FYTAMUTWGIUNID-VOJFVSQTSA-N 374.257 4.168 0 1 FIAF CC(C)COc1cc2nc(CCOCC3CC3)[nH]c2cc1Br 587784167 NYTXSTPUTCSOJH-UHFFFAOYSA-N 367.287 4.329 0 1 FIAF CCCCc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790217 IFGVFKPNGUBRIM-QGHHPUGFSA-N 366.278 4.278 0 1 FIAF CO[C@@H]1[C@H](C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 587813331 UVXZKVKCMCIVAA-ZYGLAHAYSA-N 368.290 4.153 0 1 FIAF CC(=O)C12CC([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)(C1)C2 587815721 PCUVONYUWIYRNE-VRQBJACCSA-N 366.274 4.097 0 1 FIAF O=C1c2ccccc2C(=O)N1Nc1nc(-c2ccc(Cl)cc2)cs1 653700471 CXWBCIPFEYSSRB-UHFFFAOYSA-N 355.806 4.087 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(OC)c2oc(N)nc2c1 963229640 ONBMACYGJDSBFA-ORAYPTAESA-N 351.450 4.165 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]21CCCN(Cc2ccccc2)[C@@H]1C 963259111 RKQBEPOFCSBZDQ-ZHRRBRCNSA-N 370.924 4.374 0 1 FIAF C[C@]1(c2ccc(Br)cc2N)NCCc2cc(Cl)ccc21 963391475 UMIRASOHIVELCZ-INIZCTEOSA-N 351.675 4.094 0 1 FIAF O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)[nH]c1ccccc12 1772599614 SUODFEDGMQFBNQ-UHFFFAOYSA-N 366.424 4.437 0 1 FIAF COC[C@H](C)n1c(-c2cc(C)c(=O)n(C)c2)nc2ccc(C(C)C)cc21 1772606351 YSEHQCBIJKVRQU-HNNXBMFYSA-N 353.466 4.041 0 1 FIAF CC(=O)O[C@]1(C)C=CC[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)O)[C@H]2[C@H](O)C1 2356519568 HXNTUGGXVUBGMN-NXWASIOHSA-N 364.526 4.015 0 1 FIAF Cc1cc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)no1 1377430 BBCXLCYIGWUMGA-UHFFFAOYSA-N 374.491 4.213 0 3 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 4049915 SIUQFDTXXHWXML-IEBWSBKVSA-N 374.843 4.487 0 1 FIAF COc1ccc2c(=O)c(-c3ccccc3)c(Sc3nccn3C)oc2c1 14946799 SENIJJQBAVAVIC-UHFFFAOYSA-N 364.426 4.353 0 1 FIAF CCN(CC)CCOc1cccc(Nc2nccc(-c3ccccn3)n2)c1 26663581 KEKGKDCPXKPPRC-UHFFFAOYSA-N 363.465 4.003 0 1 FIAF Cc1cccc(-c2cc(NCCCN3CCOCC3)c3ccccc3n2)c1 28241974 FORPKLDBZUGGFF-UHFFFAOYSA-N 361.489 4.344 0 1 FIAF COc1cc2c(CO)c(-c3ccc(O)cc3O)oc2c(CC=C(C)C)c1O 43121941 CKVPUAIEQLSMGP-UHFFFAOYSA-N 370.401 4.226 0 1 FIAF biogenic CC(C)(C)c1cc(NC(=O)[C@H]2[C@H](C(=O)O)[C@@H]3CC[C@H]2O3)cc(C(C)(C)C)c1 64513876 YLLRVWDINXMUMJ-XMTFNYHQSA-N 373.493 4.098 0 1 FIAF O=C(c1ccc(F)cc1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1 71333042 YJHPKKIISQWKMR-QGZVFWFLSA-N 369.371 4.382 0 1 FIAF CS(=O)(=O)Nc1ccc2c(c1)Cc1cc(-c3ccccc3)cnc1C=C2 72110904 DXGRROZBCONKKL-UHFFFAOYSA-N 362.454 4.195 0 1 FIAF CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 84722642 GBMMBKZVOXBMPW-UHFFFAOYSA-N 368.380 4.432 0 1 FIAF Cc1cc2c(c(O)c1Br)C(=O)C(=O)[C@]1(C)CC[C@@H](C(C)C)[C@H]21 85828857 LJUSWSWJFIZLDY-CRPGXEFLSA-N 365.267 4.384 0 1 FIAF biogenic C[C@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O 95810482 ODYKCPYPRCJXLY-YOCVKEFZSA-N 356.506 4.196 0 1 FIAF biogenic COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cc(Cl)cc(Cl)c1)CN32 100912928 ILHUURNQKXQSLQ-LILNRLQVSA-N 352.261 4.033 0 1 FIAF Cc1cc(OCCN(C)C)cc2c1[C@@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@@H]1C=C2 142895372 ILXJTEJGVQLLHQ-URFJDIBFSA-N 353.506 4.441 0 1 FIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OC[C@H]4CCO4)cc3)cc12 205299492 DKFPQQPTLZDFBM-CYBMUJFWSA-N 357.793 4.354 0 1 FIAF O=S1(=O)Nc2c(cc(F)c3cccnc23)-c2cc(C(F)(F)F)ccc21 205628948 WHBQSQZGHXRDDK-UHFFFAOYSA-N 368.311 4.174 0 1 FIAF Cc1cc(Br)c2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc2c1 587020891 CHPPPGBQXZMDAM-UHFFFAOYSA-N 374.267 4.158 0 1 FIAF COC(=O)c1ccnc2nc(-c3cccn3-c3ccc(Cl)cc3C)[nH]c12 587066537 PMTMHESMWGKSEZ-UHFFFAOYSA-N 366.808 4.164 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc(OC(F)F)c(F)c1)O2 587382235 KVUZNXPISFSUOO-GFCCVEGCSA-N 365.351 4.284 0 1 FIAF O=C1C[C@@H](c2cccc(Br)n2)Oc2c1ccc1c2CCCC1 587499037 QLUHQXLELHUEGK-INIZCTEOSA-N 358.235 4.429 0 1 FIAF O=C1C[C@H](c2nc3c(cc2Cl)OCCO3)Oc2c1ccc1c2CCCC1 587500688 NFUGHKGMGLNSTC-MRXNPFEDSA-N 371.820 4.092 0 1 FIAF Cc1ccc(Cn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nn2)cc1 587517583 PXKFIEAQLPWQCS-QFIPXVFZSA-N 373.456 4.220 0 1 FIAF C[C@]1([C@@H]2CC2(Cl)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540818 BURPSRMTVVDUNS-JJRVBVJISA-N 365.212 4.306 0 1 FIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1C(C)C 587582089 NUYSNOUCQRCPOV-WIYYLYMNSA-N 364.401 4.181 0 1 FIAF Cc1cccc(OC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587590995 FEYHSHLPWXDICC-UXHICEINSA-N 362.381 4.110 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1sccc12 587618585 OTUSIFDYYWCTHM-YLJYHZDGSA-N 350.395 4.257 0 1 FIAF COC(=O)[C@@H](N=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587625498 IUQBUJIKBONNSV-NSHDSACASA-N 368.233 4.494 0 1 FIAF CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1cccnc1 587644328 UZROCDSOAFSKMG-CYBMUJFWSA-N 350.418 4.484 0 1 FIAF CC(C)c1ccccc1O[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651726 DEQOPJGTAZILCQ-ZDUSSCGKSA-N 370.836 4.281 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2cnn3C)N1 587755918 BOLCNGXGHLLOIH-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF COc1cccc(OCc2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)c1 587780918 LWIKGELELXCSQP-UHFFFAOYSA-N 366.808 4.261 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(O)CCCCC2)N1 587824291 ZNPZBZYKDCYJHT-BDJLRTHQSA-N 356.279 4.033 0 1 FIAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31N[C@H](C)Cc2ccc(F)c(Br)c21 587827988 NCTCBWHWPGKJEZ-MGNNZKJKSA-N 350.275 4.384 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(C[C@H](C)c3cccc(OC)c3)nc2c1 587931045 LSSTUAHARKZJRG-NSHDSACASA-N 358.825 4.358 0 1 FIAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC3CCC3)cc12 1857553000 GYQZRCBOJGZVCB-PCNTZYQVSA-N 366.505 4.320 0 1 FIAF CC1(C)[C@H](O)CC[C@]2(C)[C@]3(C)c4[nH]c5ccccc5c4C[C@H]3CC[C@]12O 2356448829 QJRNEHJGTLWRJJ-SIKISXSRSA-N 353.506 4.310 0 1 FIAF COc1cccc([C@](C)(O)c2nc(-c3cccc(NC(C)=O)c3)cs2)c1 61926597 KBHSHZQDKSLATH-FQEVSTJZSA-N 368.458 4.033 0 3 FIAF CC(C)C(=O)N[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254096624 YJOHLCCYNVHKKI-JSDYAUHVSA-N 359.554 4.451 0 3 FIAF Cc1c(OCc2ccccc2)c(=O)ccn1CCc1c[nH]c2ccccc12 1663481 LOECBFUNADURPF-UHFFFAOYSA-N 358.441 4.460 0 1 FIAF O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1Cc2c(sc3ccccc23)CN1 13833793 ZJWASLVYEOXHPE-IYZRDUGGSA-N 366.530 4.001 0 1 FIAF CC(C)(C)OC(=O)Nc1ccc(-c2cc(/C=C3\CN4CC[C@@H]3C4)on2)cc1 26674910 GXHNERMILLSZQF-VGVSSDJJSA-N 367.449 4.408 0 1 FIAF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 28820535 MSOXFKWHWFYDCY-OAHLLOKOSA-N 370.518 4.375 0 1 FIAF CC(C)(C)c1ncc(Sc2ncn[nH]2)c(-c2cc(Cl)ccc2O)n1 29128027 MMYNXRHPSWDBSK-UHFFFAOYSA-N 361.858 4.069 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H]2CC[C@H]1O2 29343696 IWSCITFBDCQRGG-ZJTKFIPTSA-N 350.499 4.479 0 1 FIAF Nc1ncnc2c1N=C1c3ccccc3CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 53242829 IPFCUCSXQMBYRG-IAGOWNOFSA-N 359.408 4.048 0 1 FIAF c1ccc([C@@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2cnnn2)cc1 89469069 KSUVCDUWHNGSDW-FQEVSTJZSA-N 368.400 4.196 0 1 FIAF C[C@@H](Nc1c(Nc2ccnc(-c3ccccc3)c2)c(=O)c1=O)c1ccccc1 100081670 KDSILWKEQMVTNF-OAHLLOKOSA-N 369.424 4.261 0 1 FIAF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2c2ccccc2)n1)c1ccccc1 142142481 QCXPJZQKUIHMPR-YJBOKZPZSA-N 360.417 4.348 0 1 FIAF OCCCCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144791466 XCDAVAOOOZZKCZ-LJQANCHMSA-N 366.379 4.397 0 1 FIAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)C1CCCCC1 149599238 MOZBZUWDLFNGOQ-QGZVFWFLSA-N 359.420 4.224 0 1 FIAF O=C1O[C@H](c2ccccc2Cl)CN1c1cccc(OC2CCNCC2)c1 169347324 FKMROTXMCRSJED-IBGZPJMESA-N 372.852 4.169 0 1 FIAF O=Nc1c([C@@H]2C(=O)Nc3cc(Br)ccc32)[nH]c2ccccc12 169685095 OLOJSTRISMGUEK-CYBMUJFWSA-N 356.179 4.412 0 1 FIAF CC(C)C[C@H]1C[N+]2=C(NC[C@@H]2C2CCCCC2)N1CC[C@@H]1C[C@@H]2CC[C@@H]1C2 169721184 SGIBUXSDRUUCRC-FUBOCBINSA-O 372.621 4.464 0 1 FIAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](O)(CCCc1ccccc1)C(=O)N2 219548983 GDPDPLUWNNZVIQ-QFIPXVFZSA-N 362.429 4.121 0 1 FIAF CC(=O)OC[C@]12CC[C@@H]3[C@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(C)=O 253633084 DJJZPTWGFYVUFB-IXEBNVAOSA-N 374.521 4.059 0 1 FIAF COc1cc(-c2ccc(C)cc2)cc2c1OCCN(Cc1cccnc1)C2 473133386 ZGJXUSUZHASACU-UHFFFAOYSA-N 360.457 4.460 0 1 FIAF Nc1ccc(-c2ccc3nc(/C=C4\OC(=O)c5ccccc54)[nH]c3c2)cc1N 586906511 NEZYQEGPPCGRHR-JAIQZWGSSA-N 368.396 4.063 0 1 FIAF CC(C)(C)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2n1 586984329 PUNJGXDRQDVDLP-ZDUSSCGKSA-N 373.298 4.260 0 1 FIAF CCCn1cnc2cc(-c3nc4cncc(C)c4[nH]3)cc(Br)c21 587002661 CHGXBLFTLWDNHV-UHFFFAOYSA-N 370.254 4.456 0 1 FIAF Cc1cc(Br)cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 587088142 JKMHWFUIIDSMPZ-JTQLQIEISA-N 356.214 4.384 0 1 FIAF CCOC(=O)c1ccc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c2c1 587097640 MDWWULKLPKGMCA-UHFFFAOYSA-N 364.323 4.434 0 1 FIAF CC(C)[C@@H](c1nc2cc(F)cnc2[nH]1)N(C)C(=O)OCc1ccccc1 587197773 NQCGLNYPRQLRAA-INIZCTEOSA-N 356.401 4.063 0 1 FIAF CNc1cccc(-c2cccc(-c3nc4c(C(=O)OC)ccnc4[nH]3)c2)c1 587233293 MCHCRPQPNSPEJW-UHFFFAOYSA-N 358.401 4.120 0 1 FIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1OC 587372704 AFMBUWPDSGMPQC-INIZCTEOSA-N 361.825 4.344 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)cc1N)O2 587383590 ZEFHOMHYSSQKPW-KRWDZBQOSA-N 350.340 4.059 0 1 FIAF CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC 587440740 IAGISIYDUUQENM-OPAMFIHVSA-N 368.429 4.371 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1Cc1ccccn1)CC2=O 587470953 NPKJEOUMGKYHAS-NRFANRHFSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nc3ccccn13)CC2=O 587488043 GQQOPSUJKXNJCW-NRFANRHFSA-N 350.418 4.181 0 1 FIAF CN(C)c1nc(Cl)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499090 LAFSQGDLSQMEIE-KRWDZBQOSA-N 356.853 4.386 0 1 FIAF CNc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587580633 TUOUSTVKLNIOMS-KNQAVFIVSA-N 361.397 4.311 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1Cc2ccccc2C1 587603262 LHYYOVOWMYOSLX-REWPJTCUSA-N 358.393 4.137 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CCCO1)CC2 587606175 BYLHPQKMSNTJTO-XTWGIRIWSA-N 366.413 4.216 0 1 FIAF Cc1cccc2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn12 587774674 NTFPVLHJHCCPHJ-MLCYQJTMSA-N 374.257 4.168 0 1 FIAF CCO[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587811194 NJGFVRNOILHEMQ-YMRXKLBXSA-N 356.279 4.297 0 1 FIAF CO[C@@H]1[C@H](C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587813981 XCACVJNBKQSHLB-CWWXITJESA-N 356.279 4.009 0 1 FIAF CCc1cc(O)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587830581 DONHWNAXPLLHJX-MLCYQJTMSA-N 364.258 4.480 0 1 FIAF CCOC(=O)[C@H]1C[C@@]2(C=C1C)c1ccsc1CCN2Cc1ccco1 962708820 KDVOKCMLSRVEEJ-JXFKEZNVSA-N 357.475 4.124 0 1 FIAF NCC(F)(F)[C@@H]1CCC[C@]2(C1)c1ccsc1CCN2Cc1ccco1 962714384 VYKNXVIIYXZRHD-KDOFPFPSSA-N 366.477 4.379 0 1 FIAF O=C(CCc1ccc(-c2ccccc2O)cc1)NC1=C(C(=O)O)CCCC1 1772583849 PJNHKVJGOPOFAP-UHFFFAOYSA-N 365.429 4.021 0 1 FIAF CNC(=O)c1cc(Oc2ccc3cc(C(=O)OC(C)C)sc3c2)ccn1 1772647892 DFIXWZGJLCSUIW-UHFFFAOYSA-N 370.430 4.013 0 1 FIAF CC(C)=CCCOc1ccc([C@@H](O)CNC(=O)C=Cc2ccccc2)cc1 2356491779 PHOXVUZBKXSZOQ-QFIPXVFZSA-N 365.473 4.285 0 1 FIAF COc1ccc(-c2nnc3ccc(-c4cccc(N(C)C)c4)cn23)cc1OC 82082982 IENJXBXCUBNHHH-UHFFFAOYSA-N 374.444 4.147 0 3 FIAF CO/C=C(/C(=O)OC)c1ccccc1Oc1c(F)c(F)c(F)c(F)c1F 1663195 LLJKQUFGOLIUJK-VQHVLOKHSA-N 374.261 4.335 0 1 FIAF COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1 2481019 QKZSFUSKNJGPGA-UHFFFAOYSA-N 370.836 4.428 0 1 FIAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1N 4080500 NIHWNFLXMMPYTE-WOJBJXKFSA-N 369.465 4.192 0 1 FIAF CC1(C)[C@@H]2CC[C@@]1(CC(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 13728411 QZKDOLFDPNDPMR-HOYKHHGWSA-N 363.501 4.359 0 1 FIAF Oc1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 27108653 OAOLZFMKVKHDBF-FCHUYYIVSA-O 356.401 4.290 0 1 FIAF COc1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1OC 27326361 PTXQDSPDZJPTCR-UHFFFAOYSA-N 374.392 4.248 0 1 FIAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@@H]2CC[C@H]1N2C 27551183 HIFPRIPRHSYXGH-BQJUDKOJSA-N 366.505 4.130 0 1 FIAF CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21 28527500 NRNLUSZSMWQZFV-UHFFFAOYSA-N 358.501 4.496 0 1 FIAF CCCCN(CCOc1ccc(CCCC(=O)O)cc1)c1ccccn1 40392860 UMFJXMJBMUAFEN-UHFFFAOYSA-N 356.466 4.174 0 1 FIAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@H]2CC[C@@H]1N2C 40741422 HIFPRIPRHSYXGH-MXEMCNAFSA-N 366.505 4.130 0 1 FIAF Cc1cc2nc(COc3cc4c(cc3Cl)OCO4)[nH]c2cc1Cl 40892896 BKPOQXHTDNXEKD-UHFFFAOYSA-N 351.189 4.486 0 1 FIAF CCNc1nc(NCc2ccc(Cl)cc2)nc2cc(OC)c(OC)cc12 82132198 MZQCFKYHKZQWDD-UHFFFAOYSA-N 372.856 4.344 0 1 FIAF CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NSc1ccc(C)cc1 95593562 OHZDNYXPHKCUHV-IBGZPJMESA-N 354.475 4.247 0 1 FIAF CCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O 101258683 FCMQKSBNKZGDCZ-DAWMWKSDSA-N 357.494 4.272 0 1 FIAF CCN(C)C(=O)c1cccc(-c2ccc3c(c2)CC[C@H](N2CCCC2)C3)c1 140187983 WWWVPWBHVDSBOF-QHCPKHFHSA-N 362.517 4.399 0 1 FIAF in-vivo CC(C)(C)OCc1ccccc1-c1cccc2nc(NC(=O)C3CC3)nn12 299825061 VWNCPJLITIORKC-UHFFFAOYSA-N 364.449 4.060 0 1 FIAF Nc1nc(O)c2c(-c3cccc(Cl)c3)c(-c3ccc(F)cc3)[nH]c2n1 299825827 FZMFGQIPPPMXJC-UHFFFAOYSA-N 354.772 4.372 0 1 FIAF Cc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(C)c2C1=O 473171804 VXOPQVWLUHAERE-UHFFFAOYSA-N 374.396 4.258 0 1 FIAF Fc1cc2[nH]c(CSc3nnc(S)s3)nc2cc1C(F)(F)F 587025817 RPUBQVMZNNPOLN-UHFFFAOYSA-N 366.390 4.153 0 1 FIAF COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1C 587080692 SMNXLGHDELJLCJ-AWEZNQCLSA-N 354.841 4.257 0 1 FIAF FC(F)(F)Oc1ccc2c(-c3nc4c(Cl)cncc4[nH]3)n[nH]c2c1 587126596 DFFYBYVVHYOUSF-UHFFFAOYSA-N 353.691 4.053 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@@H]1NC(=O)OC(C)(C)C)O2 587389268 JQOZIEGCLCQAON-UWJYYQICSA-N 374.481 4.139 0 1 FIAF CCOc1cc(Cl)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587421371 LHAHVARXQFYZLB-ZUOKHONESA-N 374.820 4.245 0 1 FIAF CC[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424934 YCPWEYKNUPZFJP-QRWLVFNGSA-N 360.356 4.350 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(OC)c(OC)c1)CC2=O 587478935 LBIJQCRFLNPALQ-QFIPXVFZSA-N 370.445 4.329 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3[nH]c(=N)sc3c1)CC2=O 587494653 LKFALCUPCPHBSL-FQEVSTJZSA-N 368.458 4.248 0 1 FIAF Cc1cc(N)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576064 FDAARNKBUBNULG-SIKLNZKXSA-N 361.397 4.160 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CN2CCCC2)N1 587765943 LGAGIVYUIRWVNY-YVEFUNNKSA-N 369.322 4.286 0 1 FIAF CC(C)[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774268 VFUQTSNKVYOERS-KPZWWZAWSA-N 363.274 4.417 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccncc32)N1 587777233 GCWZMYFIDUWAKS-ZMZPIMSZSA-N 361.258 4.097 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2scnc2Cl)N1 587855842 WGAFDZSNUGWENK-UPONEAKYSA-N 361.667 4.322 0 1 FIAF CCOCO[C@]12CCC[C@]3(CO1)c1ccc(C(C)C)c(OC)c1C(=O)C[C@@H]23 1772577048 MGNHTUPGFKATQX-COPCDDAFSA-N 374.477 4.180 0 1 FIAF Cc1cc2c(cc1-n1nnc3cc(C(=O)O)cnc31)C(C)(C)CCC2(C)C 1857595282 BTGXHJYASHRQBD-UHFFFAOYSA-N 364.449 4.171 0 1 FIAF Cc1c(C(=O)NC2CCCCC2)sc2ncnc(N3CCCC[C@H]3C)c12 2924169 NCKMRLOGVOMGQM-CYBMUJFWSA-N 372.538 4.441 0 1 FIAF CN(C)C(=O)N1c2ccccc2-n2cnc(-c3ccc(F)cc3)c2C1(C)C 13758912 WJKPIZGANUNBDK-UHFFFAOYSA-N 364.424 4.415 0 1 FIAF O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(F)cc2)cc1 28383236 MSJWCCHOETUGFO-QHCPKHFHSA-N 374.459 4.497 0 1 FIAF CC[C@@]1(c2cccc(OC(=O)c3ccccc3N)c2)CCCCN(C)C1 28522294 BZLACEMWEQMDSV-JOCHJYFZSA-N 352.478 4.252 0 1 FIAF Cc1ccc2c(c1)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]1N2C 39242254 ITSNRBHKRKVFFB-IRLDBZIGSA-N 366.480 4.405 0 1 FIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)C1 43204921 ZFXGNBOXQNGCFE-DYESRHJHSA-N 370.541 4.204 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2CO[C@@H]1C2 43772225 LQANGKSBLPMBTJ-ZESXDWFFSA-N 350.499 4.336 0 1 FIAF in-vitro C[C@@H](CCc1ccccc1)NC[C@@H](O)c1ccc2c3c(cccc13)C(=O)N2C 45186548 FZTRHZDEGJYIIM-KSFYIVLOSA-N 374.484 4.074 0 1 FIAF CSCC[C@H](Nc1nc(-c2cccc(C)c2)cs1)C(=O)NC(C)C 82191827 JLXJVWDHWQUCGP-HNNXBMFYSA-N 363.552 4.177 0 1 FIAF Oc1cccc(Nc2ncc(Br)c(Nc3cccc(O)c3)n2)c1 90714867 LOEAXWQRCSVYMV-UHFFFAOYSA-N 373.210 4.138 0 1 FIAF Cc1c(CC(=O)O)c2cc(F)ccc2n1Cc1nc2ccccc2s1 95577666 RUDKYCJFISENJV-UHFFFAOYSA-N 354.406 4.374 0 1 FIAF Cc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1 96168801 XOYVIOVWXJPHKK-UHFFFAOYSA-N 368.440 4.268 0 1 FIAF c1ccc([C@]2(CCNCc3ccncc3)CCOC3(CCCC3)C2)nc1 96940347 JFQPNFSTVYDTOO-OAQYLSRUSA-N 351.494 4.018 0 1 FIAF O=C(Nc1cc(Cl)ccc1N1CCCCCC1)c1cnn2cccnc12 113652009 MUEHDMSGDWRPBL-UHFFFAOYSA-N 369.856 4.015 0 1 FIAF Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@H]1COc2ccccc2C1 142926249 XUSNOOWXXNLURK-QGZVFWFLSA-N 362.404 4.265 0 1 FIAF FC(F)(F)c1nc(N2CCOCC2)c2c(-c3ccccc3)csc2n1 146392320 BDMHJTAFSZTUFA-UHFFFAOYSA-N 365.380 4.214 0 1 FIAF CCCC(=O)NCCN[C@H](CC(C)C)C1(c2ccc(OCC)cc2)CCC1 166060522 KESMMXPCOOCEDA-OAQYLSRUSA-N 374.569 4.428 0 1 FIAF COc1cc(/C=C/c2cc(Br)ccc2O)cc(OC)c1OC 299838987 RQMCRELSKFCCAR-SNAWJCMRSA-N 365.223 4.351 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586964341 YIFFOSXJPZKUPL-MRVPVSSYSA-N 370.265 4.312 0 1 FIAF Cc1cc(F)c2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2c1 587019003 DPXJKZQITRGJSN-UHFFFAOYSA-N 362.430 4.405 0 1 FIAF Clc1cccc(-n2nc(-c3nc4ncc[nH]c-4n3)cc2-c2ccco2)c1 587068549 VJSIOJUBOPHVGJ-UHFFFAOYSA-N 362.780 4.071 0 1 FIAF COc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1F 587201803 VLXOFQXNHCUBPZ-UHFFFAOYSA-N 365.449 4.292 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(Cc3ccccc3C2=O)[C@H]1c1ccc(F)cc1 587347438 AWXGDSUHHPCHQI-NZQKXSOJSA-N 374.367 4.068 0 1 FIAF C[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359264 RDXJYKKHMQCFCF-FPOVZHCZSA-N 356.393 4.076 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(Br)cc1F)O2 587382073 NVLSPUGPGVTTLG-HNNXBMFYSA-N 368.177 4.324 0 1 FIAF CCOc1cc2c(c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@@H](C)C2 587411872 LGBHRETYCZWMLN-HXPMCKFVSA-N 353.418 4.006 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(OCC4CC4)c1)[C@@H](C2)C3=O 587424023 NDRHBGFRAYLHSR-YCRPNKLZSA-N 354.377 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCOC)c1)CC2=O 587483528 RAHRSLWTNKCMEG-FQEVSTJZSA-N 356.418 4.076 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ccccc13)([C@H](C)O)CC2=O 587485401 SAYVZVTZSBDMBS-WHEQGISXSA-N 365.429 4.068 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(SC)nc1Cl)CC2=O 587494033 VXLAIWITOUACHF-AWEZNQCLSA-N 364.854 4.217 0 1 FIAF CCOC(=O)[C@@]1(CCC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587500906 QISOBSUSPJGWOO-GOSISDBHSA-N 370.367 4.175 0 1 FIAF Cc1c(-c2ccccc2Br)[nH]c2ccc(S(C)(=O)=O)cc12 587649094 PNPSUEUCIFKDHS-UHFFFAOYSA-N 364.264 4.309 0 1 FIAF Cc1ccc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587771543 MGEBJFWKVKMHNA-LRDDRELGSA-N 363.274 4.500 0 1 FIAF CCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587775095 ZAQRHQZMRRHUCQ-DYZYQPBXSA-N 365.246 4.006 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(O)cc32)N1 587830904 FTMIUDWOZOHBKB-MGNBDDOMSA-N 362.242 4.018 0 1 FIAF COc1ccc(OC(C)(C)C)n1[C@H](COc1cc(F)cc(F)c1)N=O 587945158 LHPMVCVYFIIRGU-CQSZACIVSA-N 354.353 4.296 0 1 FIAF Cc1cc2c(cc1F)[C@@](C)(CCCCNC(=O)OC(C)(C)C)NCC2 962144449 LAHFEBZFGMGZBM-HXUWFJFHSA-N 350.478 4.190 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]2(C[C@H](C)CC(=O)O)c1ccccc1 963268920 BEZMSUYSHXYRCW-SZNDQCEHSA-N 373.880 4.239 0 1 FIAF COc1cc(C=CC(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1OC(C)=O 2356598562 UIVHJYHPRMTGAO-ZWDAVXSWSA-N 372.461 4.392 0 1 FIAF Cc1ccccc1Nc1cc(C(=O)NC[C@@H]2CCCO2)c2ccccc2n1 4910812 CJVOLLKLUUNQPQ-INIZCTEOSA-N 361.445 4.196 0 3 FIAF Cn1c(NCc2ccccc2F)nc2cc(-c3ccsc3)sc2c1=O 61906550 SJWZHYYTUNXHTR-UHFFFAOYSA-N 371.462 4.475 0 3 FIAF O=C1CN(C(=O)c2cccs2)[C@H](c2ccccc2)c2cc(F)ccc2N1 2456723 PFMMPLHRXBEIFX-LJQANCHMSA-N 366.417 4.071 0 1 FIAF COc1cc(C)c(C)c(OC(=O)c2c(C)c(C)c(OC)c(C)c2O)c1C 13379194 NJHFJFIKXZJXPS-UHFFFAOYSA-N 358.434 4.479 0 1 FIAF biogenic CC(=O)OC[C@]12CC[C@H](C)[C@](C)(CCc3ccoc3)[C@@H]1C=CC=C2C(=O)O 15162390 BUIGVZOGLRDZCC-KXYFNNKZSA-N 372.461 4.395 0 1 FIAF biogenic CCCCOc1ccc(C(=O)n2cc(C(=O)O)c3cc(OC)ccc32)cc1 28375341 QUCIHCZTHDGJSY-UHFFFAOYSA-N 367.401 4.216 0 1 FIAF O=C1N(CCCCCCOc2ccc(F)cc2)CCN1c1ccncc1 29398751 NTJJDBZKVJGCSP-UHFFFAOYSA-N 357.429 4.102 0 1 FIAF COc1cccc([C@@H]2Cc3ccc(OC)cc3[C@H](CCNC(C)=O)C2)c1 40916041 PTHAYGOTNLRTGW-RTBURBONSA-N 353.462 4.044 0 1 FIAF CN1CCC(N2CCCc3cc(NC(=N)c4cccs4)ccc32)CC1 73196640 UPFINYNLANEWRJ-UHFFFAOYSA-N 354.523 4.032 0 1 FIAF COc1c(O)cc2oc(-c3ccc(OCC=C(C)C)cc3)cc(=O)c2c1O 84587380 ZEPPIMJETZCFFQ-UHFFFAOYSA-N 368.385 4.225 0 1 FIAF biogenic COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[C@H](C)[C@H](C)C2=O 85843533 AQILVQJBVWGDOL-JGRMJRGVSA-N 354.402 4.033 0 1 FIAF biogenic CNC1CCC(N2CCc3cc(NC(=N)c4cccs4)ccc32)CC1 95559327 MUVVCEFDTBMKGN-UHFFFAOYSA-N 354.523 4.079 0 1 FIAF Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccccc5F)c4)c3c2)cn1 96282988 XUQBNEPFDRSOCA-UHFFFAOYSA-N 372.407 4.014 0 1 FIAF Cc1[nH]n(-c2ccc(C(C)C)cc2)c(=O)c1C(=O)c1ccc(Cl)cc1 141073413 CGTKKSFRYGMNNL-UHFFFAOYSA-N 354.837 4.482 0 1 FIAF CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 169359740 LZUOWUYBFWNJBN-BEWMOIABSA-N 360.523 4.139 0 1 FIAF O=C(O)CCC/C=C\C[C@@H]1[C@H](/C=C/[C@@H](O)C2CCCCC2)[C@H]2CC[C@H]1O2 195220822 CEHGUSRXHYTTPN-PQLCDXDTSA-N 362.510 4.479 0 1 FIAF COc1nc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)ns1 218306575 YEXRWIMDZCRFDD-INIZCTEOSA-N 364.430 4.064 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586884805 IYRLTRDVYGWGFK-VLIAUNLRSA-N 352.821 4.374 0 1 FIAF CC(C)c1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(O)c(C(C)C)c1 586896143 HUEJHBAJMKAVIZ-UHFFFAOYSA-N 374.462 4.429 0 1 FIAF FC(F)(F)c1cc(Br)cc2nc(C3CC4(COC4)C3)[nH]c12 586916838 OXPJDPILMCXKFR-UHFFFAOYSA-N 361.161 4.238 0 1 FIAF O=[S@@](Cc1nc2ccc(O)cc2[nH]1)C(c1ccccc1)c1ccccc1 586961213 SVMJZHMOSSKDIQ-SANMLTNESA-N 362.454 4.307 0 1 FIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Cl)ncc(F)c3[nH]2)s1 587023369 OOVNZPUFSZELJM-UHFFFAOYSA-N 369.809 4.221 0 1 FIAF COc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587081788 GDSLSDCWHQTTON-UHFFFAOYSA-N 354.797 4.125 0 1 FIAF COc1ccc(-c2nc3ccc(Br)nc3[nH]2)c(C(F)(F)F)c1 587095756 UDHABADSZXKGOI-UHFFFAOYSA-N 372.144 4.415 0 1 FIAF Cc1cc(Br)cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c12 587136819 NYLXUSOVFFZSOS-UHFFFAOYSA-N 356.145 4.300 0 1 FIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(Br)cc2[nH]1 587174341 HLLMNDXLSYBTQH-ZDUSSCGKSA-N 373.229 4.188 0 1 FIAF CCn1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587343468 TXMWVXCCRUMUNG-FPOVZHCZSA-N 366.392 4.022 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc(Cl)cc1)O2 587379226 GLWKCFVMUBUPGO-QGZVFWFLSA-N 353.809 4.327 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@H]1CCCN1C(=O)OC(C)(C)C)O2 587396142 PRXWQESQGIBWQB-SPLOXXLWSA-N 374.481 4.091 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(OCC4CC4)c1)[C@@H](C2)C3=O 587424001 NDRHBGFRAYLHSR-BTYIYWSLSA-N 354.377 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Cl)=COc2cc(O)ccc21 587460940 LEXYQPQWABJHBV-HXUWFJFHSA-N 372.804 4.384 0 1 FIAF Cc1ncc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551733 JBRIRVCTDBQYMA-XLIONFOSSA-N 367.788 4.452 0 1 FIAF CC(C)C(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599939 JEIDFPDQGQUPGC-GHTZIAJQSA-N 354.402 4.118 0 1 FIAF Cc1cccc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608100 JOUNFZKVVYEWMS-WMZHIEFXSA-N 374.392 4.340 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(C2CC2)N1 587776049 VVKKVPWBLLLZMT-ADLMAVQZSA-N 361.258 4.171 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2ccccc2)N1 587816381 XKVJWFIVWHFFCQ-VOJFVSQTSA-N 362.242 4.221 0 1 FIAF CC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832576 JYBVIENIDJMYTP-BBATYDOGSA-N 364.258 4.482 0 1 FIAF Cc1cc(O)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587835745 XWNRUZCHRIDYRP-BMLIUANNSA-N 350.231 4.226 0 1 FIAF CCC1(CC)OC[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)O1 587843860 UTUBXGGCROMGJW-ZXIHIIQKSA-N 372.278 4.095 0 1 FIAF Cc1cc(C)cc(-c2cc([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)on2)c1 963027424 NWPSKHRYWNYOEH-WAIKUNEKSA-N 373.456 4.101 0 1 FIAF CCNC[C@H](O)COc1cccc2c1c1ccccc1n2CC=C(C)C 2382242526 BLLOZBLTWRCZIK-KRWDZBQOSA-N 352.478 4.110 0 1 FIAF O[C@H](c1ccc(CN2CCCCC2)cc1)c1ncc(-c2ccccc2F)[nH]1 61896214 SVDJCSKESHMLMP-OAQYLSRUSA-N 365.452 4.283 0 3 FIAF CCc1nc2c(OCc3ccccc3C)cccn2c1N(C)C(=O)C1CC1 61904363 ZXECXULBPAPOMS-UHFFFAOYSA-N 363.461 4.157 0 3 FIAF C[C@@H]1C[C@@H](C)CN([C@@H](CCc2ccccc2)C(=O)NC2CCCCC2)C1 95600609 CVCXZAHQAPPXNX-KNKQGSTJSA-N 356.554 4.415 0 3 FIAF CC(C)N(C(=O)COc1ccc(-c2ccc(C(=O)O)cc2)cc1)C(C)C 840841 DHYMWAUMKQLZEI-UHFFFAOYSA-N 355.434 4.076 0 1 FIAF O[C@](Cn1ccnc1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 13650899 DZGMNXWTQWGZTK-QFIPXVFZSA-N 359.404 4.020 0 1 FIAF O[C@H](Cc1cccc(Br)c1)CN1CCC(c2ccccc2)CC1 13824009 ANCSSFCYCYJZLW-HXUWFJFHSA-N 374.322 4.232 0 1 FIAF O=C(CC[C@@H](O)CCCc1ccccc1)c1ncc(-c2ccccn2)o1 14980104 VFQRQRDNDMWSGP-KRWDZBQOSA-N 350.418 4.083 0 1 FIAF O=S1(=O)c2ccccc2Oc2cccc(C(F)(F)C(F)(F)F)c21 26250116 PFMSWHKLUFQMAF-UHFFFAOYSA-N 350.264 4.279 0 1 FIAF Nc1nc(S[C@H](C(=O)O)c2ccccc2)nc2sc3c(c12)CCCC3 45288992 JIQZAJZGIZSGNR-AWEZNQCLSA-N 371.487 4.070 0 1 FIAF C[C@@H](C(=O)O)c1ccccc1S(=O)(=O)c1ccc(-c2ccccc2)cc1 45301904 HSMGGAWDRKACFW-OAHLLOKOSA-N 366.438 4.375 0 1 FIAF O[C@@H](CNCc1cccc(Cl)c1)Cn1c2c(c3ccccc31)CCCC2 73389139 LGWWVEJXOAWQCU-SFHVURJKSA-N 368.908 4.324 0 1 FIAF COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2C)n1 82177152 RQSCDSPWBICRMG-UHFFFAOYSA-N 352.438 4.172 0 1 FIAF O=c1ccc2c(OCCCCSc3ncccn3)c3ccoc3cc2o1 136457296 RXBBGCUTEXDBEI-UHFFFAOYSA-N 368.414 4.281 0 1 FIAF O=C1N(c2ccc3ncsc3c2)CCN1c1cnccc1C(F)(F)F 148382433 OKSLGMYNJOSMDB-UHFFFAOYSA-N 364.352 4.157 0 1 FIAF CC1=N[C@H](Cc2ccccc2)C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc21 473153346 AQTDFBIZOVQUMF-LJQANCHMSA-N 364.445 4.014 0 1 FIAF Cc1nc2ccc(O)c3c2c(c1CC(C)(C)C(=O)O)-c1ccccc1C3=O 586989785 FCHWAVXELJBWDT-UHFFFAOYSA-N 361.397 4.114 0 1 FIAF COC(=O)C[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990162 AOPMULPIBZNZPD-GFCCVEGCSA-N 373.408 4.135 0 1 FIAF Oc1ncnc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc12 587015946 ZSZADTFTMIJDOK-UHFFFAOYSA-N 364.217 4.156 0 1 FIAF Cc1ccc2c(ccc3nc([C@@H]4CSCN4C(=O)C(C)(C)C)[nH]c32)n1 587042932 NWLGIJDWCBBDAA-HNNXBMFYSA-N 354.479 4.040 0 1 FIAF CCc1cc(OCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1Cl 587052662 GXEJFRNWILHRSY-UHFFFAOYSA-N 355.825 4.242 0 1 FIAF O=C(N[C@@H](c1ccccc1)c1nc2ccnc(Cl)c2[nH]1)c1ccccc1 587222083 XTRYGHHRKBCRQM-INIZCTEOSA-N 362.820 4.131 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587233982 UNANQVVJJPCPFS-VHSXEESVSA-N 370.375 4.138 0 1 FIAF O=C(O)Cc1c(-c2ccc(Br)s2)nc2cccc3c2c1CC3 587361046 RAHFOJWJFNFBRS-UHFFFAOYSA-N 374.259 4.452 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)c(C=O)c(Cl)n3C)O2 587380050 ORQSBWBGOCSPRO-SFHVURJKSA-N 368.820 4.241 0 1 FIAF COc1ccc(-c2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1 587414313 UFJHITXTWVWDNS-QGZVFWFLSA-N 366.442 4.416 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(F)(F)F)[C@@H](C2)C3=O 587420858 MJUMUTLXVSTKHJ-UGSOOPFHSA-N 364.319 4.125 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@]1(c3ccccc3)CCOC1)CC2=O 587486624 LZMOPWWFNMONAU-RBBKRZOGSA-N 352.430 4.037 0 1 FIAF O=C1C[C@@](c2cccnc2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 587514749 JRPVBPLHLDHITG-QHCPKHFHSA-N 363.457 4.248 0 1 FIAF COC(=O)c1ccc2c(c1)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587521956 DKQKHKLZEJSFJJ-HSZRJFAPSA-N 362.425 4.159 0 1 FIAF CCOC(=O)c1c(C)[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587523823 HSHPINBIHOYDOZ-GOSISDBHSA-N 367.445 4.394 0 1 FIAF C[C@]1(c2ccc3c(c2)CCN3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598416 XQEICMCDVVGYEH-NZQKXSOJSA-N 373.408 4.237 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)cs1 587610205 FIESUGVZJVEREB-CZUORRHYSA-N 359.790 4.205 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2c(s1)CCC2 587618628 OYSLGJAVZOMJJX-LPHOPBHVSA-N 365.410 4.040 0 1 FIAF Cc1ccnc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587768900 DOOOMOWBEQOWQE-KPZWWZAWSA-N 363.274 4.284 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC(=O)C2CC2)N1 587816235 VODDPISJSAVRLA-HZMBPMFUSA-N 354.263 4.313 0 1 FIAF CC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587846462 HOCHPJBHLUCJEK-PWJLMRLQSA-N 368.271 4.476 0 1 FIAF O=C(NC(=O)c1ccccc1F)N[C@@H]1c2ccccc2[C@@H]2CCCC[C@H]12 653794439 TVGZSLJCOFSACN-URLQWDBASA-N 352.409 4.294 0 1 FIAF COc1cc([C@H]2O[C@@H](C)Cn3c2c(C)c2ccccc23)cc(OC)c1OC 653835443 IYFFKAKFEUGHGH-YEJXKQKISA-N 367.445 4.484 0 1 FIAF CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@@H](OC(=O)c2ccccc2N)C1 2356448551 HKHOXKLGGSDMQO-MPJJRAAHSA-N 357.494 4.338 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]12C 2356624409 WUDCXBJIWCDVSH-CDVBAKLBSA-N 364.526 4.016 0 1 FIAF COc1ccc([C@](O)(c2ccc(C(F)(F)F)cc2)c2ccccn2)cc1 2382260195 ATAIQCHMXFWMDZ-LJQANCHMSA-N 359.347 4.393 0 1 FIAF O=C(CN1CCc2ccccc2C1)Nc1ccccc1N1CCCCCC1 4618630 PHNZFWATFPQUKP-UHFFFAOYSA-N 363.505 4.064 0 3 FIAF O=C(c1cc2c(c3ccccc13)NCCN=C2C(F)(F)F)C(F)(F)F 1658981 OWVRHSXEAZMHNE-UHFFFAOYSA-N 360.257 4.362 0 1 FIAF CCCCn1nnc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)n1 3590231 MBKQVFQYZBABKJ-UHFFFAOYSA-N 369.469 4.065 0 1 FIAF O=C1O[C@@H](COC(=O)c2ccc(Cl)cc2)C=C1c1cccc(Cl)c1 6534885 ZCXRLERTCRRLBL-OAHLLOKOSA-N 363.196 4.159 0 1 FIAF CCCN(CCC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C)n1 13794589 PEDQITSSNYTHFR-UHFFFAOYSA-N 370.545 4.339 0 1 FIAF CN(CC[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccccc1)CC(=O)O 26155183 PTESONWRHLYVBY-QGZVFWFLSA-N 367.367 4.232 0 1 FIAF CCN(CC)CCC[C@H](C)Nc1nc2cc(OC)ccc2n2cccc12 26157852 NMUNBENHFIVXAJ-INIZCTEOSA-N 354.498 4.419 0 1 FIAF C[C@H](CCCc1nnn[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1 26716917 GCBAKMOGZCRTOZ-MRXNPFEDSA-N 373.460 4.453 0 1 FIAF O=C(Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1)c1ccccc1 28862080 RQQPFMNLXURQFV-UHFFFAOYSA-N 368.396 4.134 0 1 FIAF in-vivo CN(CCCCOc1ccccc1CCc1ccccc1)CCCC(=O)O 29486994 RKUDFQIBDZGJEY-UHFFFAOYSA-N 369.505 4.427 0 1 FIAF Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@](C)(O)C2)CC1 40891897 LLVIHIGNWJROAZ-DVECYGJZSA-N 364.533 4.430 0 1 FIAF NCCCCN1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1cccc(O)c1 49807787 OYOOWWPXFLBXTK-OAQYLSRUSA-N 369.896 4.213 0 1 FIAF N=C(N)C1(C(=O)NCCCCCCCCCCOCC2CCCC2)CC1 71296265 QPSGKSDTRHAFQA-UHFFFAOYSA-N 365.562 4.146 0 1 FIAF COc1ccc(-n2c(C)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1 72124634 QKPKNTCVFVGSEU-UHFFFAOYSA-N 363.465 4.041 0 1 FIAF CCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3ccccc3)cc2)C1 72126018 PORBLGJUJCANDZ-MOPGFXCFSA-N 350.462 4.011 0 1 FIAF FC(F)(F)Oc1cccc(-c2cc3c(cn2)ncn3Cc2cccnc2)c1 82082895 FUZUDSPXJSFWRI-UHFFFAOYSA-N 370.334 4.440 0 1 FIAF FC(F)(F)c1c(N2Cc3ccccc3C2)ccn2c(CC3CC3)nnc12 95580242 AMBUFGVLRBBGHJ-UHFFFAOYSA-N 358.367 4.221 0 1 FIAF CN(Cc1cc(=O)n(Cc2ccccc2)[nH]1)c1cc(Cl)cc(Cl)c1 95583209 WYKNWVPLDGPPPZ-UHFFFAOYSA-N 362.260 4.168 0 1 FIAF COc1cccc(OC)c1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 103186991 RZMQOJONCUETPI-WQRHYEAKSA-N 369.442 4.249 0 1 FIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cnc4ccccc4c3[nH]2)c[nH]1 587061313 VDWCFGZKFNACMH-UHFFFAOYSA-N 372.819 4.301 0 1 FIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(CCO)cc2[nH]1 587163824 UPJQPMFVLFAMBJ-UHFFFAOYSA-N 360.388 4.135 0 1 FIAF COC(=O)Nc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 587244293 ZXRCLAZEMQRAQN-UHFFFAOYSA-N 364.174 4.310 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(F)cc3)noc1C)O2 587385372 SIYLAIVGJLVKOB-KRWDZBQOSA-N 352.365 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(C)ccc1O)[C@@H](C2)C3=O 587448870 HMLGJIIMJGLLNN-CYFREDJKSA-N 372.420 4.400 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)cc1N(C)C)CC2=O 587466890 NXOZJFMJDRWSJE-NRFANRHFSA-N 357.425 4.430 0 1 FIAF C[C@]1(c2cccc(OC[C@H]3CO3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587534994 HSACTRVFCHZLLE-FDDCHVKYSA-N 364.441 4.224 0 1 FIAF Cc1cc(F)ncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587739036 SJTAASSMTPBKNI-JDNHERCYSA-N 353.210 4.054 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C(C)(C)C)c2)N1 587760044 NURAOWSFOWVOPI-HWPZZCPQSA-N 366.278 4.163 0 1 FIAF COc1ccc(-c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)cc1O 587785758 GFFKEUUZPVLCCV-UHFFFAOYSA-N 352.781 4.055 0 1 FIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587807713 LVWCNXACJNPRGA-ADLMAVQZSA-N 364.258 4.395 0 1 FIAF COc1ccc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873234 DOUUOSLNDYVUGB-NSHDSACASA-N 354.337 3.911 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1[nH]c3nccc-3cc1Cl)N(C)[C@@H](C)C2 962567774 JXDHJAIXSIDDSK-WLRWDXFRSA-N 371.868 4.151 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@@]3(CC(C)(C)CCc4ccccc43)c3cccc1c32 963033143 PVDJIUPAXHSVKL-MZNJEOGPSA-N 360.501 4.346 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cccc(F)c1Br 963269308 HZAUQTUPJAWXEU-MRXNPFEDSA-N 370.649 4.485 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c(F)c(F)c(F)c(F)c1F 963603272 CBTNQOLZLDIRLS-VIIUKITBSA-N 373.321 4.023 0 1 FIAF CO[C@H](CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C)c1ccccc1 1772643161 CYJVECUASMVXNS-RAKGIWIYSA-N 351.490 4.304 0 1 FIAF COc1ccc(/C=C\c2ccc3c(c2)c(C(=O)O)cn3C)c(OC)c1OC 1857765628 WHPGZCJTDKOOCS-ALCCZGGFSA-N 367.401 4.073 0 1 FIAF COC(=O)C[C@]1(C)CC[C@]2(O[C@H](CC(C)=O)[C@@H]3C(C)(C)CCC[C@]32C)O1 2356635792 LBNHFUDEOMZNBR-VYLCYAPGSA-N 366.498 4.025 0 1 FIAF CC(=O)c1cc2c(N)c(C(=O)Nc3cccc(C)c3C)sc2nc1C 2382231296 ZINGONGELPXMNA-UHFFFAOYSA-N 353.447 4.259 0 1 FIAF COc1ccc([C@@](C)(O)c2nc(-c3cccc(NC(C)=O)c3)cs2)cc1 61903988 MWKJQBNRRXMKHI-HXUWFJFHSA-N 368.458 4.033 0 3 FIAF COc1cc(CN2c3ccccc3N3CCCCC[C@@H]32)cc(OC)c1OC 1045687 NCSPQDHUBUNUBL-NRFANRHFSA-N 368.477 4.439 0 1 FIAF CCc1ccccc1NC(=O)c1cccc2c1C(=O)N(Cc1cccnc1)C2 4920053 MRNVRBMIQQLHEX-UHFFFAOYSA-N 371.440 4.052 0 1 FIAF Cc1cccc(C)c1NC(=O)N1[C@@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 101872344 JRRCTZAOOQWEHC-QZTJIDSGSA-N 371.525 4.383 0 1 FIAF Cc1cccc(C2(c3cccc(C)c3)NC(=N)N(C3CCCCC3)C2=O)c1 103243788 MULJVLXKVWZOJN-UHFFFAOYSA-N 361.489 4.246 0 1 FIAF CC[C@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 100789516 UMODTPQPINIWKV-YYLLSARXSA-N 353.506 4.066 0 1 FIAF O=c1c2c(ncn2CC2CCCCC2)c2cccnc2n1-c1ccccc1 26718203 YCDOREPSVLDWPJ-UHFFFAOYSA-N 358.445 4.316 0 1 FIAF COc1cccc2c1COc1cc(Nc3ccc(F)cc3N)ccc1C2=O 103293003 DSOQXAWKLQXARN-UHFFFAOYSA-N 364.376 4.284 0 1 FIAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(C)[C@@H](C4)[C@H]13 29406844 BKKGVUYVPORNKS-QOYUBSCRSA-N 372.468 4.239 0 1 FIAF COc1ccc(Cl)c([C@]2(F)C(=O)Nc3cc(Br)ccc32)c1 25976591 IJRNQHDKUWCQFF-HNNXBMFYSA-N 370.605 4.276 0 1 FIAF CCCCC(=O)N(CCCC)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 2356847515 OWZKBRQMADCATN-OAQYLSRUSA-N 373.541 4.391 0 1 FIAF COc1ccc(Cc2nc3cc(Br)c(C)cc3[nH]2)cc1OC 308432809 HHCAZGLXBMBCOD-UHFFFAOYSA-N 361.239 4.242 0 1 FIAF COc1cc(OCC=C(C)C)cc2c1[C@@H]1Oc3cc(O)ccc3[C@@H]1CO2 14820430 BFYZUNBXRVPQIE-HRAATJIYSA-N 354.402 4.356 0 1 FIAF biogenic O=C1OCc2cc(-c3ccc(/C=C4/SC(=S)N=C4O)s3)ccc21 73222398 AIDUBGRGVJKHHW-AWNIVKPZSA-N 359.453 4.415 0 1 FIAF CCN(CC)CCCN1CCc2c([nH]c3ccccc23)[C@@H]1c1cccnc1 31829930 IGEVBTTXDGYSKM-QHCPKHFHSA-N 362.521 4.242 0 1 FIAF C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1-c1ccc(C(=O)O)cc1 72105083 HOSOJXYMCLYNNI-SUMWQHHRSA-N 366.413 4.152 0 1 FIAF CCOc1ccccc1CNc1nccc(NCc2ccccc2OC)n1 45230270 YMUPMPZTOWFZTQ-UHFFFAOYSA-N 364.449 4.108 0 1 FIAF Cc1csc(N(C)C(=O)[C@H](C)Sc2ccc(-c3ccccc3)nn2)n1 84758919 CLUKODGGHJARBJ-ZDUSSCGKSA-N 370.503 4.052 0 1 FIAF CC(=O)Nc1cccc(Oc2cc(NCc3ccc(Cl)cc3)ncn2)c1 82068370 ZBLHOLDZOIQUNS-UHFFFAOYSA-N 368.824 4.493 0 1 FIAF CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(CO)s1 95585463 PXQKOVNESNVWQR-IBGZPJMESA-N 350.443 4.036 0 1 FIAF CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N1C[C@H](C)c1ccc(F)cc1 143914340 VRMQGBZIVDYVLM-YWZLYKJASA-N 368.452 4.043 0 1 FIAF CN(C)CCN=c1cc(/C=C/c2ccccc2)[nH]c2ccc(Cl)cc12 2382234489 VCEBKFYYXPUNPZ-CSKARUKUSA-N 351.881 4.454 0 1 FIAF O=c1c2ccccc2nc(SCc2ccccc2)n1CCc1ccccn1 2382260888 XIZLKFVWSUMWHZ-UHFFFAOYSA-N 373.481 4.327 0 1 FIAF COc1cc2ncnc(Nc3ccc(-c4ccccn4)cc3)c2cc1OC 653780492 PGMZHLRDRCCROG-UHFFFAOYSA-N 358.401 4.453 0 1 FIAF Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1O 586986664 DWYISKNLQOFIOH-UHFFFAOYSA-N 354.365 4.107 0 1 FIAF COc1ccc(Cc2nc3cc(F)cc(Br)c3[nH]2)cc1OC 587927820 XUYOKIGECQKZGB-UHFFFAOYSA-N 365.202 4.073 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccccc1C)CC2=O 587470469 ODMPYWASVQNDDR-JOCHJYFZSA-N 367.445 4.406 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c(-c3ccccc3)n1)CC2=O 587470161 ISMZYYPSKBBTGM-HXUWFJFHSA-N 362.429 4.452 0 1 FIAF CC(=O)c1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnn1C 587105146 QFTBXLXYAGJDDC-UHFFFAOYSA-N 353.381 4.049 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(F)cc1F)O2 587383204 YYGCMJWLVLLQNR-OAHLLOKOSA-N 368.177 4.324 0 1 FIAF CC(C)COCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593317 IRRUNKAKVVNORZ-RXVVDRJESA-N 356.418 4.175 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccnc1Cl 587860664 CCFTYBOBWOQUAI-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(F)cc1F)O2 587383203 YYGCMJWLVLLQNR-HNNXBMFYSA-N 368.177 4.324 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccco1)([C@H](O)c1ccco1)CC2=O 587476589 CWHGPNOCEBRXLF-RTWAWAEBSA-N 368.385 4.125 0 1 FIAF COc1cc(C)c(N)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587249696 PYFFUTZTNSVHFA-UHFFFAOYSA-N 357.413 4.360 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccccc1C(=O)O 587862721 GKLCUKMTNNJWTR-UHFFFAOYSA-N 362.307 4.265 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@@]31c2cc(Cl)ccc2C[C@H]1C 963051769 ZEACDFCIOVWQKL-DMZKTXOQSA-N 364.876 4.478 0 1 FIAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12c1ccc(F)cc1C[C@H]1CCCN12 963103684 LWDGLOBNCZBZNE-LZNRXBQRSA-N 359.485 4.431 0 1 FIAF CCN1c2cc(C(=O)c3ccccc3)ccc2N(C)C(=O)c2cccnc21 5842596 VOSMLBUQQZKIIM-UHFFFAOYSA-N 357.413 4.061 0 1 FIAF CO[C@@H]1C[C@H]2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 13643561 DRRFJWRBSWXNFW-MXEMCNAFSA-N 373.443 4.321 0 1 FIAF Cc1ccc(C(OCCN2CCC[C@H](C(=O)O)C2)c2ccc(C)cc2)cc1 13729394 VLTBFQOAIGRTNW-NRFANRHFSA-N 367.489 4.206 0 1 FIAF COc1cccc2c1CCC[C@@H]2CN(C)CCc1ccc2c(c1)OCO2 13761389 MHXINXPTKUQZKP-QGZVFWFLSA-N 353.462 4.018 0 1 FIAF O=C(c1ccccc1F)N(Cc1cccc(OC[C@@H]2CCCO2)c1)C1CC1 14974738 SEKWSISYYIARGA-IBGZPJMESA-N 369.436 4.188 0 1 FIAF CN1O[C@]2(N=C1N)c1cc(C3CC3)ccc1CC21CCc2ccccc2CC1 201219288 YTKAFLIKICTFHA-XMMPIXPASA-N 373.500 4.030 0 1 FIAF COc1cc(O)cc2c1C[C@H](c1ccc(O)c3c1OC(C)(C)C=C3)CO2 202043236 WLLXREGVPXTHGH-LBPRGKRZSA-N 354.402 4.009 0 1 FIAF COc1cc(F)c(-c2c(C)nn3c(C(F)(F)F)cc(C)nc23)cc1F 1857745966 APUPLOWMTWVDLP-UHFFFAOYSA-N 357.282 4.319 0 1 FIAF CCOc1cc2ncnc(Nc3cccc(C(C)=O)c3)c2cc1OCC 13490785 QZRGWLSWQIRIHZ-UHFFFAOYSA-N 351.406 4.373 0 1 FIAF CCCCCC[C@H](C)C(=O)C=C1C(C(=O)OC)=C2C=COC(C)=C2[C@@]1(C)O 14696201 DYUPDLYFDGWNBP-FPTDNZKUSA-N 374.477 4.141 0 1 FIAF biogenic CC(C)c1ccc2oc(N[C@@H](CN3CCOCC3)c3ccccc3)nc2c1 28000589 ZEMQFVYTGHVNIP-FQEVSTJZSA-N 365.477 4.437 0 1 FIAF CCCN1C(=O)c2ccccc2[C@@]1(OCCc1ccccn1)c1ccccc1 28131413 GIRNYRTVUZVFBU-DEOSSOPVSA-N 372.468 4.408 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H]2CC[C@H]1O2 29322029 IWSCITFBDCQRGG-CFMNAHKBSA-N 350.499 4.479 0 1 FIAF CC(C)C1(N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)CCCCC1 38147585 NSEZFRRUDHGUMJ-FQEVSTJZSA-N 354.538 4.341 0 1 FIAF O=C1CCN([C@H]2CCCC[C@@H]2OCC(c2ccccc2)c2ccccc2)C1 38620767 LDKPWNZVJCBMGW-ZEQRLZLVSA-N 363.501 4.421 0 1 FIAF Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(Cl)cc1 72122913 LBFJBVVULXJRNT-UHFFFAOYSA-N 353.857 4.008 0 1 FIAF COc1ccc(-n2cnc3c(NC(C4CC4)C4CC4)nc(C)nc32)c(C)c1 72123445 RCQLVHRIOXVLQM-UHFFFAOYSA-N 363.465 4.041 0 1 FIAF COC(=O)c1cc(Br)cc(N(C)c2ccc(OC)cc2)c1 96910975 KFOXZZAYGWYTRQ-UHFFFAOYSA-N 350.212 4.012 0 1 FIAF Oc1ccc2[n+](c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2ccccc21 100722019 ZIZMWGCEYKQJEU-FGZHOGPDSA-O 356.401 4.290 0 1 FIAF Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42C[C@@H]2c2ccccc2)c1 104447051 VETXTVBCJVYCHS-IIYCDIPGSA-N 355.437 4.090 0 1 FIAF COc1ccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 169312274 INGIHQDATXXXLW-UHFFFAOYSA-N 351.402 4.450 0 1 FIAF O[C@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(Cl)cc12 169334691 IRZLLAIFHYKOPG-IAQYHMDHSA-N 358.791 4.473 0 1 FIAF CCC[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OC(F)(F)F)cc1)C2=O 169702033 CRLYLLMVSJJPLT-MZMPZRCHSA-N 371.399 4.269 0 1 FIAF C[C@H](N)CNc1nc(-c2ccncc2)nc2cc(-c3ccccc3)sc12 223668439 VHFKPRNRSLTBPE-ZDUSSCGKSA-N 361.474 4.179 0 1 FIAF CSc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984013 MFXOZKKAFSRCAD-CYBMUJFWSA-N 362.296 4.290 0 1 FIAF Fc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c(F)c1F 587003048 JJOKDRSUGTYEAD-UHFFFAOYSA-N 367.128 4.286 0 1 FIAF O=C1c2ccccc2-c2c(CCNC(=O)C3CCCC3)cnc3cccc1c23 587104944 XNJNYZFLXLBSDA-UHFFFAOYSA-N 370.452 4.295 0 1 FIAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(F)c(F)c2[nH]1)c1ccccc1 587218148 GGWMJXCULOIGAX-SFHVURJKSA-N 363.367 4.361 0 1 FIAF Cc1noc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351246 ZQCNOLNVPHUKSI-PZJWPPBQSA-N 367.376 4.410 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1cccc(C)c1)(c1ccccn1)[C@@H](C2)C3=O 587435761 JUFCGPHXVWDMGN-FDDCHVKYSA-N 357.409 4.090 0 1 FIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587805444 FHQGQUDAPVXLEA-BBATYDOGSA-N 364.258 4.395 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C2(C)CC2)N1 587816148 UUPACLCDJNEAQI-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587823302 TTYANZQNAOCAEV-ZMZPIMSZSA-N 364.258 4.400 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncncc1Cl 587864001 AYOQBRIBQAELCE-UHFFFAOYSA-N 368.746 4.400 0 1 FIAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(CCO)cc3[nH]2)cc1 587936726 LTEXUIHLKUKEJK-QFIPXVFZSA-N 358.441 4.287 0 1 FIAF Fc1ccc(COc2ccc([C@@H]3NCCc4nc5ccccn5c43)cc2)cc1 962992879 ZGAXUMVHFZAUPZ-QFIPXVFZSA-N 373.431 4.288 0 1 FIAF C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12c1c(F)cccc1C[C@@H]1CCCN12 963117319 YLRJCRSBCNRIJY-ULYRPOKDSA-N 374.500 4.318 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)[C@@H](C)Oc1cccc(F)c1 963635633 NILCMRIFBUSXEJ-PXIJXODZSA-N 359.441 4.060 0 1 FIAF COCCN(CCCN1c2ccccc2Sc2ccccc21)CCOC 1857555223 LYFDYNVWYKDZRH-UHFFFAOYSA-N 372.534 4.274 0 1 FIAF Cc1ccc(-c2nnn(CCCN3CCC[C@@H]3c3ccc(F)cc3)n2)cc1 1857570361 GKBJOIZWLMOAFB-HXUWFJFHSA-N 365.456 4.015 0 1 FIAF CCC=CC[C@@H](O)C=CC=CCC=CC=C[C@H](O)C=CCCCC(=O)O 2356594104 JBRPFYYLEQERPG-RTWAWAEBSA-N 360.494 4.491 0 1 FIAF O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(F)cc1)O[C@@H](C1CCCCC1)C2 72122084 LVZOGFJRMXCZOD-NVXWUHKLSA-N 360.454 4.183 0 3 FIAF CC(C)(C)c1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 599226 JGVJFGOJLMPHRD-FQEVSTJZSA-N 374.484 4.482 0 1 FIAF Fc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1 13741506 PTKJETUJAPZSQR-UHFFFAOYSA-N 351.469 4.452 0 1 FIAF CSc1ccc(Cl)c(NC(=N)N(C)c2cccc([S@@](C)=O)c2)c1 13915680 RODJWDCTFWIGQR-QHCPKHFHSA-N 367.927 4.282 0 1 FIAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=S)OC[C@@]4(C)[C@@H]3CC[C@@]12C 27897700 JIAXPKPFEUBJEA-DPTDLXHYSA-N 365.583 4.089 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 29322520 IWSCITFBDCQRGG-BWDSMMMSSA-N 350.499 4.479 0 1 FIAF CCCCCC(=O)Nc1ccc2cn(Cc3ccc(C(=O)O)cc3)nc2c1 29472833 RFRSWYXFWMECNY-UHFFFAOYSA-N 365.433 4.302 0 1 FIAF C[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1 40380038 WKQZCPPTKIDQRC-JTQLQIEISA-N 356.380 4.272 0 1 FIAF CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCCC4)ccc3c2)CC1 40933907 ISWXOJVHRGQMGX-UHFFFAOYSA-N 366.505 4.327 0 1 FIAF COc1cc([C@@H]2COc3cc(O)c(CC=C(C)C)cc3C2)c(O)cc1O 43010437 ZEYGPIZPJVPIMO-HNNXBMFYSA-N 356.418 4.039 0 1 FIAF biogenic Nc1ncnc2c1N=C1c3ccccc3CC[C@@H]1[C@H](c1ccc(F)cc1)N2 53242833 IPFCUCSXQMBYRG-SJORKVTESA-N 359.408 4.048 0 1 FIAF O=c1cc(C(F)(F)F)n(CCCCN2CCCC2)c2ccc(F)cc12 96909949 DYQRLWJIPSZIES-UHFFFAOYSA-N 356.363 4.035 0 1 FIAF CC1=N[C@@]2(N=C1N)c1cc(-c3cc(F)cc(F)c3)ccc1CCC21CC1 211020119 OMBWPONBVQEDHK-OAQYLSRUSA-N 351.400 4.343 0 1 FIAF CC(=O)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)O)CC[C@@]32O)C1 299846182 ZDWIKYATNSEKOF-WCGQQEJNSA-N 362.554 4.346 0 1 FIAF CCc1ccc(-c2nc3cc(C4=C(C)CC(=O)NN4)ccc3[nH]2)cc1CC 586878626 HQAVAOFAFQHFQT-UHFFFAOYSA-N 360.461 4.110 0 1 FIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)nc(Cl)c2[nH]1 587173772 AAEUUGLJWNNBTK-JTQLQIEISA-N 364.211 4.128 0 1 FIAF Oc1c(Br)ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587175063 PHWIBYCOPJITFX-UHFFFAOYSA-N 360.186 4.242 0 1 FIAF Cc1cnc(Cl)c2[nH]c([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc12 587198057 SCHNFVJLQWBZSB-CYBMUJFWSA-N 352.866 4.484 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)C1CCCC1 587227494 YFKZDVKIIVGHRO-HOTGVXAUSA-N 373.457 4.043 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccccc3Cl)c1)O2 587378788 PWOGCKFWBPUHLR-HXUWFJFHSA-N 367.836 4.297 0 1 FIAF COc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C(F)(F)F)c1 587420377 KNBQBKKNRGQKJI-RDTXWAMCSA-N 364.319 4.211 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC)c1OC)CC2=O 587477021 DIXDWBKHQFYDJB-IBGZPJMESA-N 356.418 4.459 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3nc(O)oc3c1)CC2=O 587487107 VFUJSGLLIBXHAZ-HXUWFJFHSA-N 353.374 4.072 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccnc1Cl 587559038 VLEAHTNHZOWFAO-CRAIPNDOSA-N 371.751 4.283 0 1 FIAF Cc1c(-c2cccc(Br)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587648843 MKAJUGLIIXNGGM-UHFFFAOYSA-N 364.264 4.309 0 1 FIAF C/C=C(\Br)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587669558 FBAHBTLXPYOWNE-POXFVLRGSA-N 363.068 4.462 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ncc2F)N1 587726890 AABMVEXZBXFSSO-NZFNHWASSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccoc3c2)N1 587779147 VGQJTERYRCZUKX-XYZCENFISA-N 361.214 4.353 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccncc32)N1 587779617 UTSFDZSHMLQZPI-ADLMAVQZSA-N 361.258 4.097 0 1 FIAF Cc1c[nH]c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 587807454 XEORMDYXFCWTDK-BTDLBPIBSA-N 374.257 4.397 0 1 FIAF CCOCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587826980 HPSNQVNRVQBXRC-DYZYQPBXSA-N 368.246 4.341 0 1 FIAF COc1ccc2c(=O)c(-c3ccc(O)cc3O)coc2c1CC=C(C)C 653817040 ZWDUQDSNXWRHRB-UHFFFAOYSA-N 352.386 4.389 0 1 FIAF Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]1CCc2ccccc2O1 653837761 ABPFJJGEOBFFPG-NRFANRHFSA-N 362.404 4.407 0 1 FIAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)NCC(=O)O 653848937 LOKAWHJQTWWFTH-STZQEDGTSA-N 357.494 4.021 0 1 FIAF COc1ccc2c(c1OC)[C@@H](c1cnc(C(C)(C)C)s1)N(C)[C@@H](C)C2 962618781 DVDMGFNDSXJDCF-YVEFUNNKSA-N 360.523 4.424 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2coc3cccc(OC)c3c2=O)N1 962950386 MSVQFUAMRHOACE-XMHCIUCPSA-N 374.440 4.297 0 1 FIAF Fc1ccc2nc([C@@H]3c4ccsc4CCN3Cc3cccnc3)[nH]c2c1 963000641 WBUJQRBRUCXNRP-IBGZPJMESA-N 364.449 4.306 0 1 FIAF O=C(O)C[C@@H](O)c1ccc(OCc2ccccc2SC(F)(F)F)cc1 1772610824 YINJYTOSIPSDQO-CQSZACIVSA-N 372.364 4.386 0 1 FIAF COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@@H]1c1sccc1C 169294384 KGDQRWDMFNBNTH-GUYCJALGSA-N 362.882 4.228 0 3 FIAF Cc1[nH]nc2c1[C@H](c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)C2=O 199729676 AYCMMKDNZOPNJW-SFHVURJKSA-N 371.362 4.482 0 3 FIAF O=C(NC1CCCC1)c1nc2ccccc2nc1-c1ccc(F)c(F)c1 206051981 XYFZFJLNLFVFKZ-UHFFFAOYSA-N 353.372 4.247 0 3 FIAF Clc1cc2nc(C3CCNCC3)n(Cc3ccncc3)c2cc1Cl 3639588 BORHXPPYEHZCOI-UHFFFAOYSA-N 361.276 4.253 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCCO 3811873 PTIUXNGGNGQHQK-LFZNYWNYSA-N 366.498 4.133 0 1 FIAF CC[C@@H](Nc1nncc(-c2c(OC)cccc2OC)n1)c1ccc(F)cc1 12197134 AUERJKPMSFRAOG-OAHLLOKOSA-N 368.412 4.258 0 1 FIAF CC(=O)c1cc(CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)cs1 12472640 PQRYUGBTGDQSOR-HNNXBMFYSA-N 350.434 4.305 0 1 FIAF COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)C[C@H](C)CC4)cc1 28948967 IFSKLVXHMZANHH-LLVKDONJSA-N 372.515 4.303 0 1 FIAF CCN1CC[C@@]2(C)c3cc(OC(=O)N[C@@H](C)c4ccccc4)ccc3C[C@@H]12 29220783 VONJUQXHNPNBDU-YTJPUZGESA-N 364.489 4.444 0 1 FIAF c1ccc(-c2cc3ccc(N4CCOCC4)nc3nc2N2CCCCC2)cc1 32063631 FCPKMVQFKHNCRL-UHFFFAOYSA-N 374.488 4.124 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1 73164055 SJTQIJCVQUFXDG-INIZCTEOSA-N 369.396 4.490 0 1 FIAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 82132501 YKUKLFALWCLPGQ-QFBILLFUSA-N 364.493 4.052 0 1 FIAF COc1ccc2c(c1)oc1c(Nc3ccc(OC)c(OC)c3)ncnc12 95594869 QDTDORITSDQCDM-UHFFFAOYSA-N 351.362 4.145 0 1 FIAF O=C(Nc1cccc(Cl)c1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 100979509 UHEDPGHBXSZPQV-IAGOWNOFSA-N 359.857 4.250 0 1 FIAF C[C@H](O)/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O 169622220 FRJZMMUVPROLHN-PPFGPZQYSA-N 360.494 4.491 0 1 FIAF Cc1ccc(-n2ccnc2SCc2nc3cnc(Cl)[nH]c-3n2)c(C)c1 586967146 XJUALJXQWKNESW-UHFFFAOYSA-N 370.869 4.053 0 1 FIAF C[C@H](O)c1ncc(-c2nc3cc(Cl)cc(Br)c3[nH]2)s1 587021297 HDJIUQMIOBFETD-YFKPBYRVSA-N 358.648 4.156 0 1 FIAF Cc1nc2[nH]c(-c3c[nH]cc3-c3scnc3C)nc2cc1Br 587027738 IMOMMBQYHIELBC-UHFFFAOYSA-N 374.267 4.456 0 1 FIAF COc1cc(-c2nc3ccnc(OC)c3[nH]2)cc(Cl)c1OCC(C)C 587045732 FDNHDHDPBPJCHF-UHFFFAOYSA-N 361.829 4.330 0 1 FIAF CN(C)CCOc1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587150698 DUMJOSSSQFKAQM-CABCVRRESA-N 357.404 4.053 0 1 FIAF C[C@@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 587156093 LUJQOOOUEOQOHE-KRWDZBQOSA-N 367.277 4.050 0 1 FIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(Cl)cnc(Cl)c2[nH]1 587174262 IHJLOVADRJTKNH-NSHDSACASA-N 364.211 4.128 0 1 FIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(F)cc2[nH]1 587198663 OSIGNHGYEPOFDF-UHFFFAOYSA-N 360.392 4.228 0 1 FIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(F)c(F)cc2[nH]1)C(C)(C)C 587202596 BODUQMHATSVWOV-CQSZACIVSA-N 353.413 4.323 0 1 FIAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1C[C@H]1c1ccccc1 587272810 CCORZWGDENPLJL-QWHCGFSZSA-N 372.218 4.069 0 1 FIAF CCCN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342951 IDKRADGYCPTOOW-HXUWFJFHSA-N 369.436 4.135 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C)c1Oc1ccccc1)O2 587389074 FATPGQVEKFLUCB-GOSISDBHSA-N 363.417 4.118 0 1 FIAF CCCCn1nc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1Cl 587419153 CSSNHDFUCGZNQZ-FZKQIMNGSA-N 360.841 4.142 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1Cc1ccccc1OC)[C@@H](C2)C3=O 587441189 FDEXMSDRQZRTJO-TXBYWVTISA-N 364.441 4.233 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)cc1Cl)CC2=O 587463465 XGPJXQQULCVICX-GOSISDBHSA-N 374.820 4.491 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(N)sc3c1CCC3)CC2=O 587496075 RGMBLFMSZIQXLK-FQEVSTJZSA-N 357.475 4.358 0 1 FIAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1O 587521927 DIESYTAQIGRVSJ-JOCHJYFZSA-N 368.429 4.169 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(O)c(F)c2)N1 587718353 ISDREJNFWVFXOO-ZIDLFYJRSA-N 372.184 4.196 0 1 FIAF CC(C)c1nccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587773811 JTVAALSJHOZRFZ-QLJPJBMISA-N 364.262 4.125 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccco2)N1 587825517 AJFYXZLITKZOJD-BTDLBPIBSA-N 366.230 4.204 0 1 FIAF COc1ccc(C[C@@H](C)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1OC 587927376 TVRHHLYTIRKPBX-SNVBAGLBSA-N 365.355 4.340 0 1 FIAF Cc1cccc([C@@]2(C3CCC3)NCCc3ccc(C(=O)N(C)C)cc32)c1C 962921750 DNIVADRLRIDBPK-XMMPIXPASA-N 362.517 4.195 0 1 FIAF C/C=C1/CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC3CCC3)cc12 1857586969 WOIJMXKIXUYUJK-OXINZMOXSA-N 364.489 4.240 0 1 FIAF O=C(c1ccc(-c2cccc(O)c2)s1)c1cc(F)c(F)c(O)c1F 1857654758 DEZMPVHLSZCMKN-UHFFFAOYSA-N 350.317 4.475 0 1 FIAF Cc1cc(CNCc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)on1 13636952 QOBSNVUSCQTINM-UHFFFAOYSA-N 374.444 4.466 0 3 FIAF C[C@@H]1C=CCCO[C@]12C(=O)N(CC1CC1)c1cccc(Br)c12 36381895 SKHUJOFEJRCRAW-KZULUSFZSA-N 362.267 4.014 0 3 FIAF Fc1ccc2[nH]cc(CCCNCCOc3cccc4ncccc34)c2c1 13581100 FKQLIZKVHZDRRD-UHFFFAOYSA-N 363.436 4.456 0 1 FIAF CO[C@@H]1c2ccc(Br)cc2C(n2ccccc2=O)=CC1(C)C 13832197 KSHDKUTWWUNBPC-QGZVFWFLSA-N 360.251 4.227 0 1 FIAF CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1ccccc1)O2 14962399 UNFLBFQTPYMDID-FQEVSTJZSA-N 371.436 4.290 0 1 FIAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@@H](CC2CCCCC2)O3)S1 26971751 JHNHQBQYCNSPNN-FUHWJXTLSA-N 359.491 4.245 0 1 FIAF CC(C)N1C[C@H](CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21 28571214 QPMKLHVPIXWKHL-SFHVURJKSA-N 367.468 4.115 0 1 FIAF CC1(C)[C@H]2CC=C(CN3CCC(NC(=O)Nc4ccccc4)CC3)[C@@H]1C2 28708664 RFWUZOGUYXWHNY-PXNSSMCTSA-N 353.510 4.265 0 1 FIAF COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(-c4cn[nH]c4)cc3)c1C2 28954375 JPCGMYWNAXYXNF-UHFFFAOYSA-N 358.401 4.055 0 1 FIAF CC(C)(C)NC[C@H](O)c1cc2cccc(CC(=O)OC3CCCCC3)c2o1 29324223 OCDPKMNKWWOJGJ-SFHVURJKSA-N 373.493 4.273 0 1 FIAF COc1ccc([C@](c2ccccc2)(c2cccc(OC)c2)n2cncn2)cc1 43076121 KCBQRVLXILGZHI-HSZRJFAPSA-N 371.440 4.136 0 1 FIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3cccs3)cc2)C1 59276533 FPNYXMREXNRRRR-CRAIPNDOSA-N 355.507 4.063 0 1 FIAF OCc1c(CO)c(-c2ccc(Cl)c(Cl)c2)n2c1Cc1ccccc1C2 66251129 NGLNRCDOJGHIGI-UHFFFAOYSA-N 374.267 4.399 0 1 FIAF Cc1[nH]c2ncccc2c1[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 84687131 RZSQUVRWRFCSHI-OAHLLOKOSA-N 363.436 4.058 0 1 FIAF O=C(Nc1ccc(F)cn1)c1cc(Cl)cc(Oc2cncc(F)c2)c1 96939148 DIPLMIIVEFADBF-UHFFFAOYSA-N 361.735 4.453 0 1 FIAF CC(=O)C[C@@H]1c2cc(Cl)ccc2N=C(n2cncn2)N1c1ccccc1 103177945 HPVRJLDUKVRZAC-GOSISDBHSA-N 365.824 4.008 0 1 FIAF CC(=O)OC[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169365298 BLJIZPWSKVXUMY-YJHHVXLMSA-N 366.288 4.423 0 1 FIAF COc1ccc([C@H]2CC[C@H](NC(=O)Nc3cccc4[nH]ncc34)C2)cc1 169704899 WKYAYIGRLGYSBA-GJZGRUSLSA-N 350.422 4.029 0 1 FIAF O=C1Nc2ccc(F)cc2[C@@]12C[C@@H](c1ccc(Br)cc1)N=N2 169727678 MPHVQQSSNCKSTG-HOCLYGCPSA-N 360.186 4.333 0 1 FIAF CC(=O)NC(C)(C)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586997619 UEIQURIFOOOBIK-UHFFFAOYSA-N 358.441 4.212 0 1 FIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cccnc3[nH]2)C[C@@H]2CCCC[C@@H]21 587027425 QUHQKSBONWCDJZ-XIRDDKMYSA-N 366.490 4.094 0 1 FIAF Fc1cccc([C@H]2C[C@H]2c2nc3cncc(Br)c3[nH]2)c1F 587152446 NJLLUAMEIPLFJM-RKDXNWHRSA-N 350.166 4.270 0 1 FIAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(OCCN(C)C)cc2[nH]1 587155532 LZUWOHOZJWKANA-GOSISDBHSA-N 357.429 4.173 0 1 FIAF Cc1nc(N(C)C)ncc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587194737 MNHRGIWYHHNXAQ-UHFFFAOYSA-N 355.751 4.067 0 1 FIAF CN(C)/C=C/[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338534 QHUXAYXGINDSAO-OSUVXIFVSA-N 367.420 4.114 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(F)(F)F)n1)CC2=O 587464206 LDCOOYLWDVOAJD-OAHLLOKOSA-N 351.324 4.465 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1sccc1C(=O)OCC)CC2=O 587496351 WJFQPQCOYHBEMC-MRXNPFEDSA-N 360.431 4.289 0 1 FIAF N=c1[nH]c2cc(Cl)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 587502248 UKOIWGDWSJXNCI-QGZVFWFLSA-N 368.820 4.479 0 1 FIAF O=C1C[C@@]2(CCOc3c(F)ccc(F)c32)Oc2c1ccc1c2CCCC1 587509993 TYOACYXVLUPEMT-OAQYLSRUSA-N 356.368 4.487 0 1 FIAF COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599985 JUDVLXIXVZFQQK-SIKLNZKXSA-N 362.381 4.278 0 1 FIAF CC(C)(CCC(=O)O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603302 LTPJREGDHSBDAJ-DYESRHJHSA-N 370.401 4.004 0 1 FIAF Cc1nc(C)c(-c2csc(-n3ncc4ccc(Cl)cc4c3=O)n2)s1 587653166 DRIKGBDDNPJMIX-UHFFFAOYSA-N 374.878 4.236 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccnc2F)N1 587738108 KDOGLUJFJWGLOZ-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c[nH]nc3c2)N1 587799047 VYZSUCBQMMGZOQ-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccc3cc[nH]c23)N1 587807782 XZZGGEICAIBBHX-JDNHERCYSA-N 360.230 4.088 0 1 FIAF CCOC(=O)[C@@H]1C[C@]2(C=C1C)c1ccsc1CCN2Cc1ccco1 962708825 KDVOKCMLSRVEEJ-OXQOHEQNSA-N 357.475 4.124 0 1 FIAF Cc1ccc(Oc2ccc([C@H]3NCCc4c3c(C(C)C)nn4C)cn2)cc1 962916207 JDMPSCCIRHVQHW-JOCHJYFZSA-N 362.477 4.274 0 1 FIAF COc1ccc2cccc([C@@]3(C)NC[C@H]4CC(=O)N(C)c5cccc3c54)c2c1 963036288 XDAFULFBZMZFBB-VOIUYBSRSA-N 372.468 4.165 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]21c2ccccc2CC12CCOCC2 963112502 PVEJORQQXXNJTR-GBXCKJPGSA-N 363.476 4.443 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1cc2cccc(F)c2o1 963633449 IEJCBDSDMVMUIB-XUSGNXJCSA-N 355.409 4.387 0 1 FIAF Cc1ccc(COc2cccc(/C=C3\N=C4SCCCN4C3=O)c2)cc1 1857630394 GYHAYDDOOBGCGG-UYRXBGFRSA-N 364.470 4.250 0 1 FIAF COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(C)=O)N2Cc1ccccc1 13119459 LMGVVDBQPNRMPT-LCKKVJLRSA-N 365.473 4.147 0 3 FIAF COC(=O)c1cccc(C)c1[C@H]1CN=N[C@@]12Cc1cc(C)cc(C)c1C2=O 5539656 JLDKIRQNTVTZJM-VGSWGCGISA-N 362.429 4.126 0 1 FIAF C[C@@H]1Oc2[nH]c3ccccc3c(=O)c2[C@]1(C)CC[C@H]1OC(C)(C)OC1(C)C 13380062 IQNWBWZINFOHGE-JWCWZOIMSA-N 371.477 4.277 0 1 FIAF biogenic COc1ccc(C2=NN(C3CCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OC 26572128 QWPPDUCOFLWBIF-ROUUACIJSA-N 368.477 4.165 0 1 FIAF C[C@@H]1CC(=O)c2c(n(-c3ccc(C(N)=O)c(NC4CC4)c3)c3ccccc23)C1 29048092 DPLIFGGJPLIMKJ-ZDUSSCGKSA-N 373.456 4.069 0 1 FIAF CCCCCC(=O)Nc1ccc2c(cnn2Cc2ccc(C(=O)O)cc2)c1 29474063 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0 1 FIAF Clc1ccc2c(c1)C[C@@H](c1nc3ccnc(Br)c3[nH]1)O2 587081483 XLUJLLALSADYIE-NSHDSACASA-N 350.603 4.050 0 1 FIAF Clc1[nH]c2ccccc2c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587087648 MUZHLWMVTYHQFF-UHFFFAOYSA-N 366.852 4.197 0 1 FIAF OC1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCC(C(F)(F)F)CC1 587126967 PKWKVWFPJGKJRA-UHFFFAOYSA-N 354.159 4.205 0 1 FIAF Fc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1F 587127014 KMEHBLZFWRNQII-UHFFFAOYSA-N 354.238 4.283 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1cnc(Cl)s1)O2 587414833 WIOXIYLURIJAPB-MRXNPFEDSA-N 373.865 4.243 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(F)(F)F)c1)[C@@H](C2)C3=O 587421092 NLSLRPRVOZURDV-KSSFIOAISA-N 364.319 4.125 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cc4ccccc4o1)[C@@H](C2)C3=O 587440090 NVACHTIPBVRYLD-FPTDNZKUSA-N 372.380 4.320 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)c(OC)cc31)CC2=O 587471291 KTGBENKMYRQNDB-OAQYLSRUSA-N 356.393 4.299 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccn1)(c1cccnc1)CC2=O 587488808 KDKKAYSJPKZSHU-HSZRJFAPSA-N 374.440 4.238 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C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nccnc3c2)N1 587778945 PATFYFAPNYCWQK-MGNBDDOMSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cccnc23)N1 587804514 RKNMGQZERBUZCF-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF COc1ccccc1C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587807779 MHHCSXXKJMTQAV-DIFFPNOSSA-N 364.258 4.415 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CC3(CCC3)C2)N1 587819697 WRNFJZLXNQPWRE-ZMZPIMSZSA-N 366.274 4.241 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2N)N1 587841321 AOKARWMMYORRGN-AYVTZFPOSA-N 355.276 4.030 0 1 FIAF Cc1ncc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587856764 XXHRXRLDTFIWKF-ANRSDYALSA-N 355.276 4.151 0 1 FIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587938724 ZHBUJZGUGCSHKP-QFYYESIMSA-N 366.339 4.307 0 1 FIAF Cc1ccccc1-c1ccc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587959417 NEUJCFMAXVNNJW-UHFFFAOYSA-N 369.424 4.460 0 1 FIAF CC(C)(C)CC[C@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705452 NRDFZVKRPWUDKF-YOEHRIQHSA-N 361.379 4.485 0 1 FIAF 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CCOC(=O)CN(O)C(=O)NC/C=C(\C)CC/C=C(\C)CCC=C(C)C 26822081 IQJNVJRDVSJNNU-OUBUNXTGSA-N 366.502 4.370 0 1 FIAF C[S@@](=O)c1ccc(-c2coc3ccc(-c4nnc(S)o4)cc23)cc1 45286812 INXNKUSMLVWENP-DEOSSOPVSA-N 356.428 4.176 0 1 FIAF c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1 64436290 MEUCRKVGHOJPJP-UHFFFAOYSA-N 363.457 4.313 0 1 FIAF O=C(O)c1csc(-n2nc(-c3ccccc3)c3c2-c2ccccc2CC3)n1 98065456 SEQWRWUIQBOBID-UHFFFAOYSA-N 373.437 4.460 0 1 FIAF CCCCNC(=O)[C@H](OC)c1cccc(COc2cc(C)ccc2C)c1 103177351 RFGLNEHUKZHJBV-OAQYLSRUSA-N 355.478 4.486 0 1 FIAF CC(=O)OC/C1=C/C/C=C(\C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@@H](O)[C@H]1O 165696761 HEGSJGWQZOTDDO-UUPIFREASA-N 364.526 4.327 0 1 FIAF C[C@@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1ccc[nH]1 169369987 XGBWNEKVHQUBJF-NWCHCEISSA-N 368.521 4.335 0 1 FIAF CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CCC(C)=CCC[C@@]1(C)O[C@@H]1[C@@H]2O 253638725 UIWJTSRUBBDRKJ-RDBVJRLBSA-N 364.526 4.257 0 1 FIAF CCSc1nc(N)c2c(-c3cccn3C)c3c(nc2n1)[C@@H](C)CCC3 299871082 XRPONTICGVGFJA-NSHDSACASA-N 353.495 4.164 0 1 FIAF O=C1c2ccccc2-c2cc(-c3c(O)cccc3O)nc3ccc(O)c1c23 586992264 SZVRWDXRZHEAFN-UHFFFAOYSA-N 355.349 4.230 0 1 FIAF CCOC(=O)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 587258487 LIDCLUPHQDZNLL-SFHVURJKSA-N 359.429 4.135 0 1 FIAF Cc1cc2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc2c(C)n1 587259220 ZDVGPPGZSFPCHG-SFHVURJKSA-N 373.460 4.147 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CSc1nc(C)cc(C)n1)CC2=O 587491122 ISTNYJVYFIZMNZ-FQEVSTJZSA-N 372.490 4.268 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1NCCC2 587597114 SHVIRWZANYDXCI-WMZHIEFXSA-N 373.408 4.453 0 1 FIAF CC(C)[C@@H]1C[C@@]2(CS1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617899 MCCUBXLVBNEDAC-QKLQHJQFSA-N 356.443 4.254 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(F)c2)N1 587726401 XBPZRLPSRUMSFE-PWJLMRLQSA-N 354.194 4.057 0 1 FIAF Cc1c[nH]c2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 587800130 AFKRDUOFKNUWFD-BMLIUANNSA-N 374.257 4.397 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)C[C@@H](C)C2=O)N1 587817759 AVNKFLCEAZXBCZ-PJYBLOJUSA-N 368.290 4.343 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)OC2(C)C)N1 587829368 CABDZVWLKKRRNH-BMLIUANNSA-N 356.279 4.295 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C)s1 587869347 HMFCFGHIRFLKCD-UHFFFAOYSA-N 367.352 4.031 0 1 FIAF COc1ccc2c(c1OC)[C@](CCC(C)=O)(C1CCCC1)N(C)[C@@H](C)C2 962618796 DVXRIUNCIWSKPP-NYHFZMIOSA-N 359.510 4.335 0 1 FIAF COc1cc2c(cc1OC)[C@](C)(CCc1ccc(O)c(F)c1)N(C)[C@H](C)C2 962631964 OICYZQGFRMHWTE-PEBXRYMYSA-N 373.468 4.273 0 1 FIAF Cc1ncc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)[nH]1 963832696 RMQKKTJYMMRAFY-JOCHJYFZSA-N 358.445 4.014 0 1 FIAF Clc1nc2ccccc2cc1Cn1nnc(CSc2ccccc2)n1 1772597478 OAUMMBDLMVZUCC-UHFFFAOYSA-N 367.865 4.215 0 1 FIAF CO[C@@H](CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C)c1ccccc1 1772643160 CYJVECUASMVXNS-AZIXLERZSA-N 351.490 4.304 0 1 FIAF COC(=O)c1c(-c2cccc(Cl)c2)cn2c1c(=O)oc1ccccc12 1857604670 UOGALBPLJSAXFT-UHFFFAOYSA-N 353.761 4.153 0 1 FIAF C[C@@H](COc1ccc(Oc2ccc(O)cc2)cc1)Oc1ccc(O)cn1 2356492029 VAYKPSKEGIJGQL-AWEZNQCLSA-N 353.374 4.131 0 1 FIAF O=C(CCn1cnc2c(Cl)ncnc21)c1ccc(Cl)cc1Cl 2382225724 ANALZPHZDIRWRS-UHFFFAOYSA-N 355.612 4.060 0 1 FIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214060 AFNARRDFYIYFQY-BVOGOJNSSA-N 372.509 4.120 0 1 FIAF COc1ccc([C@@H]2NC=N[C@@H]2c2ccc(OC)cc2Cl)c(Cl)c1 26997467 ANBPUYRIPGDHPH-CALCHBBNSA-N 351.233 4.425 0 1 FIAF Cc1ccc(O)c(C(=O)NCCCN2[C@H](C(C)C)CC[C@@H]3CCCC[C@@H]32)c1 29395324 PWFMWOKLCGUINX-JBACZVJFSA-N 372.553 4.500 0 1 FIAF c1ccc(CCN2CCC(N(c3nc4ccccc4[nH]3)C3CC3)CC2)cc1 29560020 JGWUVCVDDDKXLW-UHFFFAOYSA-N 360.505 4.239 0 1 FIAF CC1(C)C[C@@H](NC(=O)Nc2cccc3[nH]ncc23)c2ccc(F)cc2O1 35942212 AWVYCAFGYUVHBP-MRXNPFEDSA-N 354.385 4.126 0 1 FIAF Cc1noc(CSC[C@@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1 36271507 ZDFZEYIOEFWTFE-GOEBONIOSA-N 351.903 4.000 0 1 FIAF COC(=O)CCCCCOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 40943149 RIUVVQHRQBXJAX-VOTSOKGWSA-N 356.418 4.380 0 1 FIAF CCO[C@H](c1ccc(C(=O)OC)cc1)[C@@H](SC(C)(C)C)n1ccnc1 45366134 PFORGQXALRKXGD-IAGOWNOFSA-N 362.495 4.478 0 1 FIAF Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)c1 58603838 KDNOIKAVFYIBPH-SFHVURJKSA-N 352.434 4.300 0 1 FIAF CCN(c1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12)C1CCCCC1 72125105 YNKYTUYGFXOPOU-UHFFFAOYSA-N 354.429 4.113 0 1 FIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@H](O)CN1C(=O)C1CCC1 72175630 SSFZWHHWBFSYKR-FXAWDEMLSA-N 370.880 4.145 0 1 FIAF C[C@@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N(C)C2 96941674 ZSLWUVZDXDAKIP-XNKXANNVSA-N 353.865 4.055 0 1 FIAF Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)c4ccccc4)cc23)c1 116961693 LRAJBLMHRYLRGM-UHFFFAOYSA-N 371.440 4.444 0 1 FIAF CCCCC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 139554437 WNTDPCKCELJDEM-GESSDTPGSA-N 364.526 4.303 0 1 FIAF Clc1ccc(CCO[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1Cl 142328331 XYNMOULGJNGXPD-ZWKOTPCHSA-N 358.309 4.196 0 1 FIAF Cc1noc(NC(=O)c2ccc(NCc3cccc4ccccc34)nn2)c1C 207423368 BNJJQQFZKHDJCI-UHFFFAOYSA-N 373.416 4.099 0 1 FIAF C/C=C(/C)C(=O)OC/C=C/c1ccc(OC(=O)/C(C)=C\C)c(OC)c1OC 238758677 AVUQXTCTNLQPOU-XFQHEFLPSA-N 374.433 4.098 0 1 FIAF COc1cc2c(cc1CC=C(C)C)C(=O)C[C@@H](c1ccc(O)cc1O)O2 238786483 BHLNLHSSZNUHBX-FQEVSTJZSA-N 354.402 4.322 0 1 FIAF C[C@@H]1CC[C@@H]2[C@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@H]1[C@]32O4 253683644 CEQYMIBPHSHBNB-HFCQYGAGSA-N 356.462 4.076 0 1 FIAF COc1cc(C(=O)c2ccn(-c3ccc(C)cc3)c2)cc(OC)c1OC 299828917 OSNYDMOYGAFHEM-UHFFFAOYSA-N 351.402 4.043 0 1 FIAF CC(=O)Nc1ccc(Cl)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587050517 ORKSMSOFAXAQOG-UHFFFAOYSA-N 357.694 4.398 0 1 FIAF CCN1C(=O)C[C@@H](c2nc3cccc(F)c3[nH]2)[C@@H]1c1ccccc1Cl 587062150 UTBQFGCDTGTMNO-XIKOKIGWSA-N 357.816 4.433 0 1 FIAF CCOc1cc(/C=C\c2nc3cccc(C(=O)O)c3[nH]2)ccc1OC(F)F 587130610 NAEHCICZLPZCHQ-CLFYSBASSA-N 374.343 4.432 0 1 FIAF COc1cc(OC)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 587232627 WVENTSWAOZMVID-UHFFFAOYSA-N 363.417 4.130 0 1 FIAF COc1cc(C)c(N)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 587250434 WCHJYISYMXFPSK-UHFFFAOYSA-N 350.191 4.031 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nn(C)c1Cl)O2 587379910 MTWZLQZYAZSALB-INIZCTEOSA-N 367.836 4.338 0 1 FIAF CCCOc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@H](C)C2 587411886 LLUAQDXUVVOGSS-LRTDBIEQSA-N 367.445 4.396 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ncc(-c4ccc(C)c(C)c4)o1)[C@@H](C2)C3=O 587436151 MPGHGHHPMJFVHV-HRAATJIYSA-N 361.397 4.456 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCc4[nH]c5ccc(C)cc5c41)[C@@H](C2)C3=O 587438303 NEJQDMJYHUACTF-HJPURHCSSA-N 359.425 4.464 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@@H]1C(=O)OCC)CC2=O 587482614 UQCKDBGHMFJFDF-IIBYNOLFSA-N 360.450 4.192 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](C[C@@H]1CCCCC13OCCO3)CC2=O 587483473 FPNZZAQFZYCRLD-LSDHHAIUSA-N 360.450 4.002 0 1 FIAF CC(=O)N(C)c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587514915 XNLLQHKEHCGZMK-QHCPKHFHSA-N 363.457 4.429 0 1 FIAF O=C(O)CCc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530884 WICVAPYFNDMIEL-HXUWFJFHSA-N 350.414 4.289 0 1 FIAF CCc1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(S)n1 587531788 JTBNCHWWKUSUPO-OAQYLSRUSA-N 368.502 4.396 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1OCC2 587606876 FLEJHNLCAHUDJH-GCJKJVERSA-N 360.365 4.030 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnccc2Cl)N1 587696667 LSZYDQZUEQEBIB-GLEZIHRCSA-N 355.638 4.260 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)nc2)N1 587704900 KZWHXVVBAWSIBK-GLEZIHRCSA-N 355.638 4.260 0 1 FIAF Cc1cccc(N)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587750835 VBYHPDZNDMNPOG-BBATYDOGSA-N 363.274 4.277 0 1 FIAF CCc1cccnc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587773901 SAXNDBRLQHYKES-BBATYDOGSA-N 363.274 4.343 0 1 FIAF CCCC(=O)O[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790141 FSJLQIKSVZKQRB-WVQJBOLRSA-N 372.278 4.069 0 1 FIAF COc1ccc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873232 DOUUOSLNDYVUGB-LLVKDONJSA-N 354.337 3.911 0 1 FIAF CC(C)c1cnc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962731484 SMFZDWKKNRHURG-TZMCWYRMSA-N 354.397 4.002 0 1 FIAF CC(=O)OC[C@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1CC[C@H]1C(=O)OC[C@H]12 2356663496 JCFWGACKWZGXBV-XEFDQGCZSA-N 362.510 4.362 0 1 FIAF Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCOCC4)n3n2)cc1 1341238 OIHQWUKPJWZTQS-UHFFFAOYSA-N 374.419 4.039 0 3 FIAF CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccnn3C)c3ccoc23)cc1 61905865 DOEUAABKHXKAAI-UHFFFAOYSA-N 374.400 4.044 0 3 FIAF O=C(c1c[nH]c2cccc(OCCNCc3ccccc3)c12)C(F)(F)F 1903125 NQQDGDDHTBBKPN-UHFFFAOYSA-N 362.351 4.082 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4Cc5cn[nH]c5N[C@@]4(C)CC[C@H]32)C1 5500820 CMWJNGXQGRDRCC-YBHNGBFFSA-N 369.509 4.231 0 1 FIAF CC(C)(C)c1ccc(Oc2ccc3c(c2)C=C(CN(O)C(N)=O)CO3)cc1 13833868 PLFNZRPEZMNURP-UHFFFAOYSA-N 368.433 4.322 0 1 FIAF COc1cc(C)c(CC[C@@]2(C)C=Cc3cc(O)ccc3O2)c(C)c1CO 14636907 NSRDRTYZFNOWIH-JOCHJYFZSA-N 354.446 4.307 0 1 FIAF biogenic C[C@@H](NCCN(C)C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C 22950396 OQLPSYJNZRYLOQ-APYVTPOUSA-N 370.581 4.404 0 1 FIAF O=C(O)CC/C=C\C[C@H]1CO[C@@H](c2ccsc2)O[C@@H]1c1cccnc1 27755765 MNZKTVZKROTVFA-OQXRQTOTSA-N 359.447 4.357 0 1 FIAF O=C(Nc1ccccc1)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 28012359 GYDRNILRACQUEX-UHFFFAOYSA-N 356.385 4.438 0 1 FIAF COc1ccccc1[C@@H]1CN=C(c2ccc(OC(F)(F)F)c(Cl)c2)N1 28948587 HBZSFLJFXKNCOR-ZDUSSCGKSA-N 370.758 4.338 0 1 FIAF CCC[C@@H](CC1(C(=O)Nc2nnc(CC(C)C)s2)CCCC1)C(=O)O 34803372 DPOCSFZJMLFPJZ-ZDUSSCGKSA-N 367.515 4.127 0 1 FIAF CN(C)C(=O)N1Cc2c(ccc(Cl)c2Cl)[C@@H](c2cccc(O)c2)C1 38156055 UMODMSWPONWCHE-CQSZACIVSA-N 365.260 4.328 0 1 FIAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@H](C(=O)OC)CN(C)[C@@H]1C2 40374312 BOMVRTMBCWESTQ-QKYXUNIQSA-N 354.494 4.135 0 1 FIAF Cc1cc(N2C(=O)CS[C@H]2CC23CC4CC(CC(C4)C2)C3)nc(C)n1 40866485 OJVNIFZFJLCPRH-BTCBHJBXSA-N 357.523 4.106 0 1 FIAF FC(F)(F)c1ccccc1Sc1ccc2c(c1)N1CCNC[C@H]1C2 71294256 UKYFWIJBZBSYQT-CYBMUJFWSA-N 350.409 4.191 0 1 FIAF C=CC1=C(C(=O)NCc2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)OC1 73223587 RXWPJWQXXUNTDI-LJQANCHMSA-N 357.812 4.349 0 1 FIAF COc1ccc(Oc2c(Cl)cnn(Cc3c(C)cccc3C)c2=O)cc1 73330128 GVMXJDSUQXUQCP-UHFFFAOYSA-N 370.836 4.363 0 1 FIAF COc1ccc(OC)c(CCNc2cc(Oc3ccccc3F)ncn2)c1 82067650 ACHPIMUNNXMQOT-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF O=C(N[C@H]1CCC[C@H](NC(=O)C2CCCCC2)C1)c1cccc(Cl)c1 95590276 YIXIXHNFJBGDOA-ROUUACIJSA-N 362.901 4.078 0 1 FIAF Fc1ccc(CN2[C@@H]3CN(CC(F)(F)F)C[C@H]2[C@@H]3c2ccccc2)cc1 100087683 UXWLJMRPAOPPFO-REPLKXPHSA-N 364.386 4.040 0 1 FIAF O[C@H]1/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)N2CCC1CC2 102429982 LPXUPIFUOZFOIK-ZWULCIMOSA-N 362.448 4.256 0 1 FIAF CC[C@@H](C)CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165939716 ZLOZQNWQYQWSHJ-OAHLLOKOSA-N 351.450 4.010 0 1 FIAF OCC(CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 231935999 GJFCEMOCWVYDKT-GBSKLLNISA-N 364.570 4.405 0 1 FIAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1 238730620 GLIWUZBUVUGCTJ-DKJLUOPISA-N 370.581 4.384 0 1 FIAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(CC(F)(F)F)n1 299823015 JJGXXKFMWXTDDS-PSASIEDQSA-N 374.313 4.491 0 1 FIAF COc1ccc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2n1 587045667 BCBAPBPLPAQJQC-UHFFFAOYSA-N 361.829 4.330 0 1 FIAF COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(C(F)(F)F)c1 587098041 PEUFGMFPSAIHQG-UHFFFAOYSA-N 350.296 4.029 0 1 FIAF COc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1C 587120697 SXQYSDVIQLKNKT-UHFFFAOYSA-N 364.249 4.308 0 1 FIAF O=c1c(-c2nc3ccc(F)c(F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170595 DLIMMCWBFHEHEU-UHFFFAOYSA-N 373.309 4.436 0 1 FIAF CCOC(=O)CNc1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 587226904 FQNIRBXYINDBGB-UHFFFAOYSA-N 363.339 4.224 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(Cl)s1)O2 587409972 KAXZLERUKXVAIV-QGZVFWFLSA-N 365.838 4.018 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Cl)=COc2cc(O)ccc21 587460935 LEXYQPQWABJHBV-FQEVSTJZSA-N 372.804 4.384 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(NC(C)=O)ccc31)CC2=O 587471570 TYIYVQLOFGIAKG-QFIPXVFZSA-N 365.429 4.110 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCOC)cc1)CC2=O 587477711 FCLZPOJHDONMKO-QFIPXVFZSA-N 370.445 4.251 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cnc2Cl)N1 587737325 ZHESPJHFRHIOBD-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF Cc1cccc(N)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587750046 REEAGSSUUUDJGT-BBATYDOGSA-N 363.274 4.277 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cnn(C)c23)N1 587761204 UDHCAQMYCGKRSD-BTDLBPIBSA-N 374.257 4.099 0 1 FIAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 587771526 MELQYSWPWFAWGX-KZULUSFZSA-N 363.274 4.398 0 1 FIAF CCOc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1C 587778173 KNOLZPZOUBRJOZ-UHFFFAOYSA-N 350.191 4.234 0 1 FIAF COc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587807633 KWMILNVHQMWJGQ-DYZYQPBXSA-N 350.231 4.220 0 1 FIAF COc1cc(OC)c(-c2cn3ccc(C4=CCOCC4)cc3n2)cc1Cl 1857603047 ZFMAMSFASIPANA-UHFFFAOYSA-N 370.836 4.476 0 1 FIAF COc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3C)[nH]n2)c(OC)c1 61925628 KRYBMDIFWDLOAM-UHFFFAOYSA-N 371.824 4.308 0 3 FIAF Cc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3NC(=O)C2)cc1 13743137 MSSPSUQHGLSDOS-UHFFFAOYSA-N 367.412 4.192 0 1 FIAF c1ccc(C2(c3ccccn3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)nc1 26637150 IFITXJMKEBCGCF-XUZZJYLKSA-N 362.456 4.189 0 1 FIAF COC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1 64528369 MVVWNXKODNGJOT-UHFFFAOYSA-N 369.324 4.120 0 1 FIAF CCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 73224228 ZSEYAGMKVLDVQC-QGZVFWFLSA-N 357.519 4.174 0 1 FIAF COc1ccc(OC)c(CCNc2cc(Oc3ccc(F)cc3)ncn2)c1 82067638 PQOGUQQCAQBXLH-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF CN1CCC(N2CCCCc3cc(NC(=N)c4cccs4)ccc32)CC1 84596917 LMURYPJWQITCBS-UHFFFAOYSA-N 368.550 4.422 0 1 FIAF COc1cccc(Cc2ncc[nH]2)c1Oc1cccc(Cc2ncc[nH]2)c1 85996401 YDQJXVYGARVLRT-UHFFFAOYSA-N 360.417 4.115 0 1 FIAF endogenous,in-man O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1)c1ccc2ccccc2c1 101444681 IILPLAOABJATAZ-NHCUHLMSSA-N 360.457 4.358 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@H]2CC[C@@H]1C3 102313663 PTGGVIKFNQSFBY-XRSDGGPASA-N 358.478 4.210 0 1 FIAF O=C(O)c1csc(-n2nc(-c3ccccc3)c(O)c2-c2ccccc2)n1 103250945 RMIFJFCVPBUPGD-UHFFFAOYSA-N 363.398 4.067 0 1 FIAF Cc1nn(Cc2ccc([C@@H](C)Oc3ccccc3)cc2)c(C)c1CC(=O)O 168956008 LILTTWRIOILJMB-QGZVFWFLSA-N 364.445 4.315 0 1 FIAF COc1cc(OC)c2c(=O)cc(-c3ccc(Br)cc3)oc2c1 169351493 BUDUNOOAIPZWND-UHFFFAOYSA-N 361.191 4.240 0 1 FIAF CC(C)(CO)c1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1O 219345026 ZGFPHNJLXVUBPK-UHFFFAOYSA-N 359.809 4.162 0 1 FIAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(CO)C(CO)=CCC[C@@]21C)CC(=O)O 238744113 WLKKZYQAHGKWES-XJGBBZTQSA-N 352.515 4.011 0 1 FIAF COc1cc(CCc2ccccc2)c(OC)c(OC)c1CCC(C)(C)O 238744394 CKDVRINXCZIKOB-UHFFFAOYSA-N 358.478 4.201 0 1 FIAF CCCCOc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1Br 586885581 CDTNRMMQQYXWMX-INIZCTEOSA-N 355.276 4.368 0 1 FIAF CCCC(Br)(CCC)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586971789 XSMMIMYXPMLZNV-CYBMUJFWSA-N 353.264 4.477 0 1 FIAF COc1cncc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c12 587003645 LBUNMCBJPNIPNH-UHFFFAOYSA-N 358.195 4.451 0 1 FIAF Fc1cc(Br)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587035805 TZCGBUNKCSUVDP-LBPRGKRZSA-N 367.243 4.383 0 1 FIAF CC[C@H](Oc1ccccc1Cl)c1nc2c(S)nc(S)nc2[nH]1 587061213 CUEAFYRBHNZUIA-QMMMGPOBSA-N 352.872 4.114 0 1 FIAF COc1cc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2cc1OC 587068289 PCEQNHPGDDEACD-UHFFFAOYSA-N 354.797 4.291 0 1 FIAF Cc1c(-c2nc3ccc(C(=O)O)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075686 LCVVWCZJAPCVLO-UHFFFAOYSA-N 352.781 4.076 0 1 FIAF CCOC(=O)Cc1ccc2[nH]c(-c3nn([C@@H](C)CC)cc3Cl)nc2c1 587079526 IQJFKGWJQPCOSM-NSHDSACASA-N 360.845 4.156 0 1 FIAF COC(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587135416 ZSBLKIIOIMSBNH-HWKANZROSA-N 368.261 4.215 0 1 FIAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)ncc3[nH]2)c1F 587151972 JHMJBXKLMQITQP-BDAKNGLRSA-N 350.166 4.270 0 1 FIAF COC(=O)c1cccc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c12 587166667 ZSTPAECLBYBAIP-UHFFFAOYSA-N 363.392 4.470 0 1 FIAF Cc1c(Br)ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c12 587167567 VUSJEVXNTPOEKK-CMDGGOBGSA-N 374.213 4.425 0 1 FIAF CC(C)Oc1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175057 PBAZPMGXGZDXBV-MRXNPFEDSA-N 352.413 4.213 0 1 FIAF COC(=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242940 ZXBUVAAYYUAJEX-UHFFFAOYSA-N 359.385 4.466 0 1 FIAF C[C@@]1(c2cccc(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338054 QKASBPYZLVYXNG-UNMCSNQZSA-N 363.388 4.388 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H](C)N(Cc3ccccc3)[C@H](C)C1)O2 587393904 OBTGHDMGPYDZSI-IAGOWNOFSA-N 364.489 4.354 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccncc4)cc1F)[C@@H](C2)C3=O 587425809 HVMYIYCZWIDKIF-HTAPYJJXSA-N 361.372 4.385 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4cc(F)ccc41)[C@@H](C2)C3=O 587426364 CQGMXAOPEZYZLA-BTYIYWSLSA-N 354.377 4.038 0 1 FIAF CCCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587442021 NWPNRTWMSPQXSN-IERDGZPVSA-N 354.402 4.068 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCCCC4)cc1)[C@@H](C2)C3=O 587445902 YZQXCCJDBABEGY-CVDCTZTESA-N 363.457 4.348 0 1 FIAF O=C1C[C@@](C(=O)O)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587508874 UOZCNJJYODSANF-FQEVSTJZSA-N 356.805 4.164 0 1 FIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587600732 PNVHFALRLXSJBW-UGKGYDQZSA-N 362.381 4.412 0 1 FIAF Cc1cccc(C)c1C(=O)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603724 RDNTZASRYRFELG-XXBNENTESA-N 374.392 4.222 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c(O)cccc12 587611366 SNWOYVVGUZOFIX-NZQKXSOJSA-N 374.392 4.291 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Cl)c2)N1 587704883 KXMRSGIWSIFAGI-VXJOIVPMSA-N 355.638 4.260 0 1 FIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C 587748931 BTOLLYRLGBIIMF-XYZCENFISA-N 351.263 4.167 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3ccccc23)N1 587794274 LLBCJQKMDZAPBS-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c[nH]nc3c2)N1 587795718 OHJYZCAZSNMAOT-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cccnc23)N1 587804513 RKNMGQZERBUZCF-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF CCc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587852197 FBAXYCTYLLSHEJ-AYVTZFPOSA-N 355.276 4.231 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)s2)N1 587852556 HGCTZKPQTINICY-QTTZVWFDSA-N 361.667 4.322 0 1 FIAF CCCCNC(=S)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587867153 WJAWOUIURRHNHR-UHFFFAOYSA-N 371.428 4.490 0 1 FIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 587931303 RZEIVPGGTGFXJS-ZMZPIMSZSA-N 373.250 4.485 0 1 FIAF COc1ccc(C2(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CC3(CCC3)C2)cc1 587934588 DPGXIXBXYQZKHC-UHFFFAOYSA-N 374.444 4.404 0 1 FIAF CN1C(=O)C[C@H]2CN[C@](C)(c3ccc(F)c4ccccc34)c3cccc1c32 963038573 WIJQLQUEOJGKJA-LFVRLGFBSA-N 360.432 4.296 0 1 FIAF COC(=O)[C@@]1(C=C2c3ccccc3[C@H](OC)[C@@H]2C)[C@@H]2c3ccccc3O[C@H]21 1857621830 ASIWMRFKVKKMJP-KQEMXWQBSA-N 362.425 4.125 0 1 FIAF CCOC(=O)c1nn(-c2ccccc2)c(O)c1/C=C1\C=Nc2ccccc21 5408468 WOPBAMPXKUQCJL-WYMLVPIESA-N 359.385 4.011 0 1 FIAF CCNC(=O)C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1 13553318 MWIWLUQGNHOJFD-UHFFFAOYSA-N 353.462 4.388 0 1 FIAF OCCCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1 13648366 IDNNHUIRPPFJBA-UHFFFAOYSA-N 369.856 4.120 0 1 FIAF CCCCCC1=CC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2CC1 36382034 KXQQNBVZDRVNGR-IBGZPJMESA-N 354.450 4.090 0 1 FIAF CN(C)c1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 40892343 DUNUKGIIVQOOKA-UHFFFAOYSA-N 358.401 4.208 0 1 FIAF COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1F 45189860 XTAPPDIBRQTLHA-PXAZEXFGSA-N 371.374 4.107 0 1 FIAF CCc1c(C(=O)NCCc2ccc(NC)cc2)[nH]c2ccc(Cl)cc12 84688480 SPTNEZKXRMAQGK-UHFFFAOYSA-N 355.869 4.398 0 1 FIAF O=C(COc1cccc2c1NC(=O)CC2)Nc1ccc(-c2ccccc2)cc1 95593815 OGCNDRDIBYNRLI-UHFFFAOYSA-N 372.424 4.256 0 1 FIAF N#Cc1ccc(Nc2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1 141507222 PKZOUSYWVWQWRH-UHFFFAOYSA-N 351.801 4.089 0 1 FIAF O=N[C@@H]1CCc2cc(-c3[nH]c(C4CCNCC4)nc3-c3ccncc3)ccc21 169686164 YPUCRGLYZSAWRC-LJQANCHMSA-N 373.460 4.359 0 1 FIAF C[C@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](N)C[C@@]1(c1cccc(O)c1)C2 253637767 DBPFGWTUHBQYTM-GDXZIDHASA-N 364.533 4.094 0 1 FIAF Nc1ccc(-c2ccc3nc(C4(c5ccccc5O)CC4)[nH]c3c2)cc1N 586897092 QTXJQNKYSOUEEP-UHFFFAOYSA-N 356.429 4.180 0 1 FIAF O=Cc1ccc(OCc2occc2-c2nc3cc(Cl)cnc3[nH]2)cc1 586901455 UNMVLHOLVUDQJO-UHFFFAOYSA-N 353.765 4.263 0 1 FIAF FC(F)(F)c1ncc2[nH]c(-c3ccc(-c4nccs4)s3)nc2n1 587023264 HBIQWELOCYEEAY-UHFFFAOYSA-N 353.354 4.224 0 1 FIAF COC(=O)c1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587050564 PRFLXBARQBIKGR-DTWKUNHWSA-N 362.216 4.322 0 1 FIAF Oc1nncc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587071081 JJESZDMSECGFQZ-UHFFFAOYSA-N 358.188 4.094 0 1 FIAF Cc1cc(Cl)cc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 587112379 UHQGUZZUVIRHQF-UHFFFAOYSA-N 367.758 4.474 0 1 FIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 587204631 YGJLTSGIGMDQCV-UHFFFAOYSA-N 371.828 4.128 0 1 FIAF CCN1CC[C@]2(C[C@H]1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343006 IZQWTVOJCXJOLJ-VQUVXCFPSA-N 369.436 4.133 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3nc4ccccc4n3C)o1)O2 587391951 UTXNUKOHMIKXTG-FQEVSTJZSA-N 373.412 4.430 0 1 FIAF CC[C@@H]1c2cc(OC)ccc2CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587403700 PYDWUQWFACHVKC-XMSQKQJNSA-N 351.446 4.430 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cccnc4)cc1)[C@@H](C2)C3=O 587434938 ALLRZKNIAJSRKS-CVDCTZTESA-N 373.408 4.158 0 1 FIAF CC[C@H](C)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587438223 DDVQCZYUVJLVHD-OLZZKDKNSA-N 368.429 4.370 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(C)=O)c1C)CC2=O 587483572 MZCKJHOBLMKZSO-NRFANRHFSA-N 355.434 4.373 0 1 FIAF Cc1cccc(OC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587590997 FEYHSHLPWXDICC-VQTJNVASSA-N 362.381 4.110 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cnccc32)N1 587777982 KNQVSRZFEKHJOD-BBATYDOGSA-N 361.258 4.097 0 1 FIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 587784230 GGANVSMQSYRCBH-OLZOCXBDSA-N 371.234 4.269 0 1 FIAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587823299 TTYANZQNAOCAEV-BBATYDOGSA-N 364.258 4.400 0 1 FIAF COc1ccsc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587844095 MBGSXOMJKWFYFA-XLKFXECMSA-N 356.260 4.282 0 1 FIAF COc1ccc2c(c1)[C]1O[C@@H]([C@](C)(Cl)Br)CC1=C(C)N2 2356811234 MOKQAYDROBMYHZ-HIFRSBDPSA-N 357.655 4.414 0 1 FIAF N=C(N)c1ccc2sc(/C=C/c3cc4ccc(C(=N)N)cc4o3)cc2c1 2382259588 QFCFJVILMOWYTR-SNAWJCMRSA-N 360.442 4.386 0 1 FIAF CN(C(=O)c1ccccc1)c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12 599444 MNLMPPNVJPYNBB-UHFFFAOYSA-N 363.200 4.450 0 1 FIAF COc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](c3ccc(Cl)cc3)O2)cc1 28767719 DIHFXLARMUCKOT-PMACEKPBSA-N 370.836 4.186 0 1 FIAF C1=C(c2cncc(CNCCOc3cccc4c3OC3(CC3)C4)c2)CCC1 35259217 GKKAASDLBDVVHR-UHFFFAOYSA-N 362.473 4.285 0 1 FIAF CCCCN(C(=O)c1ccncc1)c1nnc(-c2ccc(OC)cc2)s1 40011231 IVOXLZJPNCZIPL-UHFFFAOYSA-N 368.462 4.056 0 1 FIAF CCCC[C@H](O)C1=CC[C@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@@H]3C1 40511776 DJYWGBMTZMYDEB-BJESRGMDSA-N 355.522 4.081 0 1 FIAF COc1ccc(CCCc2nc(N)nc(N)c2-c2ccc(Cl)cc2)cc1 45203058 UQUKZAKCMQHDLU-UHFFFAOYSA-N 368.868 4.145 0 1 FIAF Cn1c(-c2ccc3nccnc3c2)c(-c2csc3ccccc23)c(=O)n1C 45390303 KRMXJJBZSSTINN-UHFFFAOYSA-N 372.453 4.216 0 1 FIAF FC(F)(F)Oc1ccc([C@@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 49055423 FBDXSHRSQKPJSV-JKSUJKDBSA-N 370.334 4.447 0 1 FIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 82133390 BULJOBPTLVSSJU-ULQDDVLXSA-N 366.509 4.154 0 1 FIAF CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(C(F)(F)F)c3)nc2c1 95598156 NHIMISYGJARUTL-UHFFFAOYSA-N 370.352 4.168 0 1 FIAF C[C@@H]1CC(=O)N[C@H](c2ccccc2)C/C=C\C[C@H](c2ccccc2)NC1=O 95660950 ZTKLQSZLDMQVGT-SRVJSJDFSA-N 362.473 4.078 0 1 FIAF O=C(c1cccnc1Oc1ccc(Nc2ccccn2)cc1)N1CC=CC1 142861727 RSVXVQYOXHXHSY-UHFFFAOYSA-N 358.401 4.025 0 1 FIAF CCOc1ccc(-c2nc3ccc(C4=NNC(=O)C[C@@H]4CC)cc3o2)cc1 168619097 QIDKNGALXYOAKT-ZDUSSCGKSA-N 363.417 4.144 0 1 FIAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(N)c1 586986546 CMVJKFOGSJOABH-UHFFFAOYSA-N 368.392 4.410 0 1 FIAF Ic1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 587025317 IAPKWYYYJMYGDN-RJRFIUFISA-N 352.200 4.399 0 1 FIAF Clc1cccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)n[nH]2)c1 587068084 GYOZJGHOBDTXCO-UHFFFAOYSA-N 352.781 4.045 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc(F)c(OC(F)F)c1)O2 587381181 CQPZJBOBVMGHHC-GFCCVEGCSA-N 365.351 4.284 0 1 FIAF CCOc1ccc(OCC)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587399323 JBKSCROJOQVCOH-NRFANRHFSA-N 355.434 4.255 0 1 FIAF CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587409887 XJNDILDGWBJTAX-IUSZMWJPSA-N 359.466 4.362 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)noc1C)[C@@H](C2)C3=O 587428500 NLIBNRMIBOAVGK-YCRPNKLZSA-N 365.360 4.286 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc4sccc4nc1Cl)[C@@H](C2)C3=O 587449953 CPZLMGHQEBAMMC-BTDLBPIBSA-N 357.818 4.447 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCN(C)C)(c1cccs1)CC2=O 587495386 QSLXVDBWKIIQBS-FQEVSTJZSA-N 359.491 4.219 0 1 FIAF O=C(O)C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587529607 QEGYQUVLXQBEFT-CMJOXMDJSA-N 362.425 4.388 0 1 FIAF Cc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587610966 HPJAVLSWOFTJJW-OXQOHEQNSA-N 367.426 4.343 0 1 FIAF CCCCCc1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)N[C@H]1CCOC1=O 587641981 IPMFWCKMNARHOJ-KUHUBIRLSA-N 370.493 4.459 0 1 FIAF CCO/C=C/[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587721358 PMXYRZSSKURETK-KIJMRWFMSA-N 364.205 4.133 0 1 FIAF CCn1nc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587754196 DGUNSNCWYBTEMG-VVVCHXIZSA-N 366.278 4.045 0 1 FIAF CCCCn1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587760273 OTKDIZIHSGXIBH-PIGZYNQJSA-N 366.278 4.208 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nn(C)cc23)N1 587761195 TWRAIQVEYCQXEV-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF CCOc1ccccc1OCc1nc2cc(Br)cc(F)c2[nH]1 587780688 YDBGCXIFKHINTH-UHFFFAOYSA-N 365.202 4.442 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 587826069 GHLMVQVUCIZPMY-IXGPKGCPSA-N 366.274 4.097 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c(N)oc2ccc(F)cc2c1=O 963244342 WDAWNLLWLFXZQF-RBZFPXEDSA-N 366.436 4.260 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]21CCCN(Cc2ccccc2)[C@H]1C 963259106 RKQBEPOFCSBZDQ-AOMKIAJQSA-N 370.924 4.374 0 1 FIAF O=C1OC[C@H](Cc2ccccc2O)[C@H]1Cc1ccc(Cl)c(Cl)c1 1772605530 LWNBVQJIKSJBJG-UONOGXRCSA-N 351.229 4.273 0 1 FIAF Oc1nc2ccc(Cl)cc2cc1CNc1ccc(-n2ccnc2)cc1 1857580327 GZMDTIGASLPUGG-UHFFFAOYSA-N 350.809 4.392 0 1 FIAF O=C(NC1CC1)c1ccc(-c2cnc3cnc(-c4cccs4)cn23)cc1 1857594319 YVLNZQGJOKONPD-UHFFFAOYSA-N 360.442 4.017 0 1 FIAF CC(C)(C)c1cccc(OCCOc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 1857649463 DPLUHNJIYWLIIS-HNNXBMFYSA-N 370.445 4.393 0 1 FIAF Cc1nc2c(O)cc3c4c(n(Cc5ccccc5)c3c2nc1C)C(=O)CCC4 6520606 HRHGPDZSDMQFSX-UHFFFAOYSA-N 371.440 4.474 0 1 FIAF Oc1cccc2c1[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 27108021 MGZRIZNFYLISSD-DENIHFKCSA-O 356.401 4.290 0 1 FIAF CC[C@H](c1ccc(F)c(F)c1)n1c(C(=O)N2CCCC2)c[nH]c1=S 28338726 DBXSMDQMZJYINK-CQSZACIVSA-N 351.422 4.059 0 1 FIAF Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(N)ncn1 34789918 KCFYRZYFGXYNKV-UHFFFAOYSA-N 350.813 4.103 0 1 FIAF CO/C=C(/C(=O)OC)c1ccccc1CSc1nc2ccccc2[nH]1 35328636 MCBJQZHKXGIAMY-RVDMUPIBSA-N 354.431 4.016 0 1 FIAF COC(=O)CCCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1 40392608 NKDFCEREBVARKB-UHFFFAOYSA-N 371.437 4.323 0 1 FIAF CCC(CC)CN1C[C@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 66138867 IJNVZJDGKCQVBR-AYHJJNSGSA-N 369.336 4.337 0 1 FIAF O=C1c2ccc(NCCN3CCCCC3)cc2-c2nccc3cccc1c23 73311890 WWEVQCRCBCKZQS-UHFFFAOYSA-N 357.457 4.344 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc(F)cc2)n1 82141094 ZLDCZFWWPCZXBH-OAHLLOKOSA-N 370.472 4.365 0 1 FIAF O[C@H](COc1cncc(/C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 84596738 WYLVFMBGPRCDQF-PRPIBZDOSA-N 371.440 4.111 0 1 FIAF COc1c(CN2CCN(c3ccccc3)CC2)cc(Cl)c2cccnc12 84634373 XYUWKTFMLRRDJJ-UHFFFAOYSA-N 367.880 4.219 0 1 FIAF CC1(C)c2cc(O[C@@H]3CCCNC3)ccc2C(=O)c2c1oc1ccccc21 114802036 MBSIECJCAWDZTQ-OAHLLOKOSA-N 361.441 4.434 0 1 FIAF CC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12CCCOc1ccccc12 200382888 DZHYRNFVEGLPJQ-IBGZPJMESA-N 374.412 4.247 0 1 FIAF CC(=O)OC[C@H](O)[C@]1(C)CC[C@@H]2[C@](O)(CC[C@@H]3C(C)(C)CCC[C@@]23C)C1 238779172 LSBVIKMCNDZFDF-JHNTZSPXSA-N 366.542 4.074 0 1 FIAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)[C@@H](O)CC(=O)CC/C=C/2 299819403 CNAMIVOGPWSYFZ-RCFWFJCLSA-N 370.401 4.001 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3C[C@@]34CCc3ccccc34)nc1-2 586884110 HBEFSGGTCJBDNZ-MGPLVRAMSA-N 364.758 4.348 0 1 FIAF O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586900489 CPYQREQPOVXWEE-WIYYLYMNSA-N 354.409 4.363 0 1 FIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(Br)cc2[nH]1 587070007 OHFHKNYACBUQRA-NSHDSACASA-N 364.674 4.264 0 1 FIAF Cc1ccc(NC2(c3nc4ccc(C(=O)N(C)C)cc4[nH]3)CCCC2)cc1 587237765 WFNQDVMVVFYOFQ-UHFFFAOYSA-N 362.477 4.455 0 1 FIAF Cc1cc(Br)c2[nH]c(/C=C\C(=O)Nc3ccccc3)nc2c1 587244166 LUYXMJFAVBKFFH-FPLPWBNLSA-N 356.223 4.286 0 1 FIAF CC(C)Oc1cc2nc(-c3cccc(CN)c3)[nH]c2cc1Br 587246353 PYRMJFJXQSDDPD-UHFFFAOYSA-N 360.255 4.238 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C)C(=O)O)(c1ccc(Cl)cc1)O2 587376457 CZSSQSRSTNAHJU-ODXCJYRJSA-N 373.836 4.202 0 1 FIAF CCCC[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 587410803 ZMIFKIZKYYGQAC-NRFANRHFSA-N 353.418 4.357 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(Cl)c1)[C@@H](C2)C3=O 587420186 DZUYTMQQRBKAHM-APPDUMDISA-N 366.747 4.439 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1Br)[C@@H](C2)C3=O 587425507 DMKOFEKCPCULJC-YVEFUNNKSA-N 363.182 4.086 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1Cc1ccco1)CC2=O 587472258 ZJJHKIRROPEMQY-HXUWFJFHSA-N 351.402 4.494 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3nnco3)cc1)CC2=O 587484432 PBGCOXRTSHUZBP-GOSISDBHSA-N 350.374 4.101 0 1 FIAF CC(C)(C)CC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604130 RHRXVMOGHXFHRM-HRAATJIYSA-N 370.401 4.004 0 1 FIAF C[C@@H]1c2ccccc2C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604700 VKAFJLNBGNGLGH-HCVAFPHWSA-N 358.393 4.452 0 1 FIAF Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587619841 ZVRUWODMKOUEQQ-LAUBAEHRSA-N 350.370 4.479 0 1 FIAF COc1c(F)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587718729 JHYFNXWZDYWFJZ-ABKXIKBNSA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3c[nH]nc23)N1 587791625 GQMQSJDNZXFRRO-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc[nH]c3nccc2-3)N1 587801978 JGOLMLJWQRSOOE-YPMLDQLKSA-N 374.257 4.214 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 587928624 AGERQZGOWXSBTI-KSFYIVLOSA-N 364.445 4.122 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)cnc2[nH]1 587928706 AZHUBQWCFSNBSL-YVEFUNNKSA-N 358.239 4.174 0 1 FIAF Nc1cccc(Br)c1-n1c(O)ccc1OCCc1ccccc1 587937489 SICOTGYTKMNWPL-UHFFFAOYSA-N 373.250 4.149 0 1 FIAF Cc1cc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c2oc(N)nc2c1 963115297 VMYHETOOQGPSNU-VFNWGFHPSA-N 351.425 4.142 0 1 FIAF CN(C)c1ccc(C(=O)Nc2n[nH]c3cc(-c4ccc(O)cc4)ccc23)cc1 1772589537 VRWPNQQLCLPOPS-UHFFFAOYSA-N 372.428 4.254 0 1 FIAF CCC[C@H]1CN(c2ccc(OC)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 61923282 KAMOTDUDGVKTOA-OXJNMPFZSA-N 366.461 4.103 0 3 FIAF NCc1nc2cc(NCc3ccc(OCc4ccccc4)cc3)ccc2[nH]1 13445559 IVGXSTJPWGCWAR-UHFFFAOYSA-N 358.445 4.213 0 1 FIAF CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13672406 MSOAYFNBOPBNFL-UHFFFAOYSA-N 369.812 4.176 0 1 FIAF C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)n1)c1ccccc1 28353544 JXRVBGJBQOUHLR-HNNXBMFYSA-N 352.413 4.280 0 1 FIAF CC1(C)CC[C@H](N2CCC(O)(c3ccccc3CN)CC2)c2ccccc21 28817235 OUQSULQDOMUFKO-QFIPXVFZSA-N 364.533 4.241 0 1 FIAF COC(=O)CCC(=O)Nc1ccccc1OCc1ccc2ccccc2c1 29221598 DIBKWPJYKBQUEW-UHFFFAOYSA-N 363.413 4.311 0 1 FIAF CCCCC[C@@H](OC)[C@H](O)[C@@H](/C=C/CCCCCCCC(=O)O)OC 33820462 MQWZCHDMBWJFTK-FUCKATAMSA-N 358.519 4.329 0 1 FIAF O=C(O)CCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 36093054 NGPUNXMZLNUELL-UYAOXDASSA-N 372.415 4.139 0 1 FIAF CC[C@H]1[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)CC(=O)[C@@H]1C 40651154 QFHHXPQTADJUKH-MQWGLAERSA-N 367.533 4.312 0 1 FIAF O=C1C[C@@]2(CCCc3ccccc32)OC(=O)[C@H]1SCCc1ccccc1 61959296 GYQBSBLOVKEGNS-RBBKRZOGSA-N 366.482 4.079 0 1 FIAF CC(C)c1csc(-c2nnc3n2N[C@H](c2ccc(F)cc2F)S3)n1 64447676 VVVROAQXPQVOEK-ZDUSSCGKSA-N 365.434 4.151 0 1 FIAF Oc1ccc(-c2nc(CNCc3ccc(OC(F)(F)F)cc3)co2)cc1 72182064 UPWKNBHGGCUGLI-UHFFFAOYSA-N 364.323 4.236 0 1 FIAF CC(C)c1cccc(Nc2nnc([C@@H](O)c3ccc4c(c3)OCO4)s2)c1 82082889 YGPIZUSMBAOQCP-KRWDZBQOSA-N 369.446 4.216 0 1 FIAF COc1ncccc1CN(C(=O)CF)c1ccccc1Oc1ccccc1 84709519 UHPXKTGSBSCAQY-UHFFFAOYSA-N 366.392 4.385 0 1 FIAF CC(=O)N(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 95589055 FDZFHPSXTIIWQD-UHFFFAOYSA-N 369.428 4.418 0 1 FIAF CCC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12CCOc1ccccc12 142114023 MDDQGDJGSXWQBN-IBGZPJMESA-N 374.412 4.247 0 1 FIAF O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(CNCC2CCCCC2)CC1 169321594 OYOACGPPFIIASJ-YADHBBJMSA-N 372.528 4.338 0 1 FIAF O=c1nc2ccc(Cl)cn2cc1Cc1ccc(F)cc1C(F)(F)F 169331059 VCNFIZRTTYVTEI-UHFFFAOYSA-N 356.706 4.097 0 1 FIAF CCOC(=O)[C@H]1[C@H](c2ccc(-c3cccn3CC)cc2)C[C@H]2CC[C@H]1N2C 253693402 ZEBKVNWXQZNPAB-KIZRIRGWSA-N 366.505 4.304 0 1 FIAF CC(=O)OC/C=C(/C)CC[C@@H]1C(C)=CC[C@@H]2[C@](C)(CO)C[C@H](O)C[C@]12C 263638772 WZZRZMFFZNXNGP-QQWILPFFSA-N 364.526 4.018 0 1 FIAF CC[C@H](C)CN1C[C@@H]2CC[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 299813881 XNSDAFDBNJBZTP-DSIZOQBWSA-N 369.336 4.480 0 1 FIAF CC(C)COc1cc2nc([C@@H](O)CC(C)C)[nH]c2cc1Br 586901079 OHHMJPIVWUWJMP-AWEZNQCLSA-N 355.276 4.440 0 1 FIAF CCCc1nc(-c2nc3cc(F)c(C)cc3[nH]2)nn1-c1ccccc1F 587156819 SDFXMZRKDMZFQH-UHFFFAOYSA-N 353.376 4.350 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)cc1N)O2 587383596 ZEFHOMHYSSQKPW-QGZVFWFLSA-N 350.340 4.059 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C=O)cc3)nc1)O2 587394283 SUIDOQAUDFQUQO-NRFANRHFSA-N 358.397 4.158 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccco1)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O 587439859 XMNPFFWNCOGSOE-HJPURHCSSA-N 371.392 4.461 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1Cc1cccnc1)CC2=O 587469860 HJDHEKVDPBCUSE-OAQYLSRUSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1sccc1C(=O)OCC)CC2=O 587496350 WJFQPQCOYHBEMC-INIZCTEOSA-N 360.431 4.289 0 1 FIAF C[C@]1(c2cnc3[nH]cnc(Cl)c2-3)CC(=O)c2ccc3c(c2O1)CCCC3 587499844 NGPNWXMMOSLWAZ-HXUWFJFHSA-N 367.836 4.322 0 1 FIAF CCOC(=O)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500791 CWNJRHGCKOKDTD-JOCHJYFZSA-N 368.404 4.128 0 1 FIAF O=C1C[C@@](c2ccncc2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 587515140 LGFLWPDIZMZLMF-HSZRJFAPSA-N 363.457 4.248 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1Cl 587544792 OAIYNVVMHSKNJF-JXFKEZNVSA-N 368.772 4.454 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2F)N1 587730703 XRJSDCWLIHPHQM-VPTHRUTESA-N 354.194 4.057 0 1 FIAF CNc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587742693 LWGJDOJLMIMFRG-VOJFVSQTSA-N 363.274 4.428 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2NCC3)N1 587789190 AJQUWHYUORTVIQ-YPMLDQLKSA-N 361.258 4.180 0 1 FIAF COc1ccccc1OCc1cc(=O)n2c(-c3ccccc3)csc2n1 621431063 JMNULXRZSSXGPJ-UHFFFAOYSA-N 364.426 4.011 0 1 FIAF Cc1cccc([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962970270 FZPJWCKEOBOVBH-KXBFYZLASA-N 365.807 4.097 0 1 FIAF COc1c(F)cc([C@@H]2NCCc3cnc4c(OC)cccc4c32)cc1Cl 963033880 KNKPZFMEAZNKEI-SFHVURJKSA-N 372.827 4.280 0 1 FIAF CN(CCCCc1ccccc1)C(=O)n1cc(-c2ccccc2)oc1=O 2382238584 VKEFXKGQRNFBPJ-UHFFFAOYSA-N 350.418 4.031 0 1 FIAF Cc1cc(Cl)c2oc(C(=O)N3CCN(c4ccncc4)CC3)c(C)c2c1 15074452 ISDZPMGIXQBLRG-UHFFFAOYSA-N 369.852 4.060 0 3 FIAF O=C1CC[C@@H](O)CCN1CC[C@H](Sc1ccccc1)c1ccccc1 15937232 QOWYRDHTFKQBOD-QUCCMNQESA-N 355.503 4.284 0 3 FIAF COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3cccc(F)c3)cs2)cc1 61925853 QVUSFONWDAWLCI-HXUWFJFHSA-N 370.449 4.357 0 3 FIAF CCN(CC)C[C@@H]1CCCN1C(=O)c1cc2ccc(C(F)(F)F)cc2o1 3817069 NWPNTJIYWKJLNG-HNNXBMFYSA-N 368.399 4.398 0 1 FIAF Cc1ccc(Nc2cnn(-c3nc4ccccc4o3)c(=O)c2Cl)cc1F 4928762 CADKAYGUXFFTDH-UHFFFAOYSA-N 370.771 4.218 0 1 FIAF COc1cc(OC)c2c(c1)O[C@H](c1cccnc1)[C@@H](c1ccccc1)C2=O 13220541 FSMNLYWDBIFGPC-SIKLNZKXSA-N 361.397 4.199 0 1 FIAF C=C(C(=O)CC)[C@@H]1C(C)=C[C@]2(C)[C@H]1[C@]2(C)c1oc(OC)c(C)c(=O)c1C 14770905 LAEXYWGAQZSIEJ-FBRLZHCOSA-N 356.462 4.270 0 1 FIAF biogenic C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COC(c1ccccc1)c1ccccc1 28218484 JGCOVNBZGICBIO-WOIUINJBSA-N 353.506 4.416 0 1 FIAF CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2cc(C)[nH]c12 29128285 QZOSHDGQZFEFHQ-UHFFFAOYSA-N 350.466 4.056 0 1 FIAF Nc1ccnc(N2CCC3(CC2)O[C@H](c2ccccc2)c2ccccc23)c1 40949987 NPAADSKMLSZJIV-JOCHJYFZSA-N 357.457 4.279 0 1 FIAF O=C(Cn1c(C(=O)c2ccccc2)nc2ccccc21)c1ccc(F)cc1 66157386 UOMLSIXKPMPUQO-UHFFFAOYSA-N 358.372 4.289 0 1 FIAF COc1ccccc1Oc1cncc(NC[C@@]2(C)C[C@@H](O)CC(C)(C)C2)n1 82068874 SGQQZFQEFWCAAE-BTYIYWSLSA-N 371.481 4.267 0 1 FIAF COc1ccc(C2=NN(C(N)=S)[C@@H](c3cccc4ccccc34)C2)cc1 95584575 AXCWTPZBNBDGJR-HXUWFJFHSA-N 361.470 4.243 0 1 FIAF CCCCOc1cc(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2n1 100643255 QGTCHNUWJMNKHC-HOTGVXAUSA-N 368.477 4.196 0 1 FIAF Clc1ccc(C/N=c2/scnn2Cc2ccc(Cl)cc2)cc1 102418487 JXFAJFYLTUROSK-KNTRCKAVSA-N 350.274 4.401 0 1 FIAF CCC(=O)OC1CCN(CC2=Cc3c(Cl)ccc(OC)c3CC2)CC1 169324717 BKVHBKBZINENCQ-UHFFFAOYSA-N 363.885 4.096 0 1 FIAF Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(Cl)cc1Cl 169325965 JKCMHDUAYYGILX-UHFFFAOYSA-N 373.243 4.248 0 1 FIAF C[C@@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=S)OC[C@]4(C)[C@H]3CC[C@]12C 169338640 JIAXPKPFEUBJEA-DAXJGPEBSA-N 365.583 4.089 0 1 FIAF COc1ccc(-c2noc3c2CCc2cc(OC)c(OC)cc2-3)cc1OC 169348321 NHLIZPWAOLLLJY-UHFFFAOYSA-N 367.401 4.142 0 1 FIAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn12 223394660 KDYGMWSJUSTGHL-UHFFFAOYSA-N 371.440 4.250 0 1 FIAF COC(=O)c1cc(Br)c2[nH]c(-c3ccoc3C3CC3)nc2c1 586900552 AYVNPQKQMUGDHL-UHFFFAOYSA-N 361.195 4.249 0 1 FIAF O=C1O/C(=C/c2nc3cc(Br)cc(F)c3[nH]2)c2ccccc21 586906619 OPLBCAGRHCQFOQ-NTUHNPAUSA-N 359.154 4.133 0 1 FIAF C[C@@H](Sc1ncccn1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586961704 LEGAYMQQOCTWBD-CYBMUJFWSA-N 360.442 4.437 0 1 FIAF COc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1F 586979176 RYOMGGGRVGXLSY-UHFFFAOYSA-N 350.191 4.152 0 1 FIAF COc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587011901 FASOIRPKJRAQSW-UHFFFAOYSA-N 350.241 4.335 0 1 FIAF NC(=O)c1cccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587124651 KTHIAOCQQWKIMG-RMKNXTFCSA-N 363.364 4.444 0 1 FIAF COc1ccc(NC(C)(C)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587201480 NNXQOSUFGMZBDJ-UHFFFAOYSA-N 353.422 4.080 0 1 FIAF N[C@@H](Cc1nc2cc(Br)cnc2[nH]1)c1cccc2ccccc12 587259570 VXXUWDQKNMASRX-HNNXBMFYSA-N 367.250 4.116 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cc3ccccc3o1)O2 587386803 KXFZDOZBLPJTRS-UVIRAJKCSA-N 362.429 4.259 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc3ccccc3c1)O2 587392127 WZRXNZWEYAUNIF-HSZRJFAPSA-N 374.440 4.483 0 1 FIAF CCOc1cccc(OCC)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401881 YZQYYIIXVMXYSN-OAQYLSRUSA-N 355.434 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(OC4CCC4)c1)[C@@H](C2)C3=O 587424730 SYSJVTGXVYBUCO-YCRPNKLZSA-N 354.377 4.254 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(C(=O)OC)c1)CC2=O 587462828 RBPWTCRVBDQWFG-SFHVURJKSA-N 374.820 4.491 0 1 FIAF CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517751 UGOAPRGLKOKZNX-HKUYNNGSSA-N 371.477 4.299 0 1 FIAF C[C@@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551069 CSFAHTLPAZHOMR-PXNSSMCTSA-N 367.788 4.318 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(F)c1O 587554373 DDDCPZSWLZLRIV-OXQOHEQNSA-N 370.307 4.079 0 1 FIAF CCCCn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578825 BGFUZZXIMCLTST-RXVVDRJESA-N 364.401 4.092 0 1 FIAF Cc1nccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587586375 BWCUBVYYAUUHBN-SIKLNZKXSA-N 372.380 4.280 0 1 FIAF CCOC1=C[C@]2(CCC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587593493 DUPZBGSKMCQJBZ-RXVVDRJESA-N 352.386 4.197 0 1 FIAF Cc1ccccc1OC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597706 ZTNJPNZJVOGUAC-VQTJNVASSA-N 362.381 4.110 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccccc1C2 587604307 SKBSXYSSHIIFTQ-REWPJTCUSA-N 358.393 4.282 0 1 FIAF CC[C@@H](C)c1ccc2[nH]c(CC(=O)OC)c(CNC(=O)OC(C)(C)C)c2c1 587642552 MLTZXTPZNDMYGG-CYBMUJFWSA-N 374.481 4.422 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2n[nH]c3ccccc23)N1 587790474 CYLDKONVVVDOKV-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF COC(=O)c1ccccc1-c1ccc([C@H]2NCCc3ccc(O)cc32)cc1 963352636 MUMWDQGXYXKAQH-JOCHJYFZSA-N 359.425 4.081 0 1 FIAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)Sc1ccccc1N3 1857744716 HHVVDNVKKWNHRU-UHFFFAOYSA-N 368.389 4.382 0 1 FIAF COc1cccc(CNc2nc(NC(C)C)nc3ccsc23)c1OC 61897097 HQAKVTYZMLDOIM-UHFFFAOYSA-N 358.467 4.141 0 3 FIAF Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)CC(C)C)CC(=O)N2 2724117 HVUSIVFJGRVGIY-OAQYLSRUSA-N 354.425 4.050 0 1 FIAF FC(F)(F)c1ccccc1-c1ccc2ncnc(N3CCOCC3)c2c1 4264791 CJBYNHSRMIRXEQ-UHFFFAOYSA-N 359.351 4.152 0 1 FIAF CCCOc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1CN1CCCCC1 13557349 GDCGIHOHEJXVRS-AZUAARDMSA-N 358.526 4.250 0 1 FIAF Cc1ccc(NC(=O)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)c(C)c1 28377791 VZRPAWJLWRARLT-OALUTQOASA-N 354.450 4.318 0 1 FIAF C[C@H](Cn1ncc2c(NCc3cccc(F)c3)ncnc21)c1ccccc1 72124280 ZBIICZVBAPAQIA-OAHLLOKOSA-N 361.424 4.381 0 1 FIAF CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3ccccc3F)n2)C1 82068767 HOKXGYIJUBDBTN-JLTOFOAXSA-N 359.445 4.397 0 1 FIAF Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CC(=O)NC3(C)C)cc1 84728292 BCVMTYBPJHGZDB-UHFFFAOYSA-N 364.424 4.106 0 1 FIAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(CC)cc2)C1=S 95872972 IKGAHXOAHPBVAL-UHFFFAOYSA-N 360.479 4.042 0 1 FIAF CCCOCC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(C)C 103255818 ZQDJPXDLCXVZNB-UHFFFAOYSA-N 358.486 4.042 0 1 FIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587044280 YVXXWFUTDKGXQB-GFCCVEGCSA-N 358.294 4.490 0 1 FIAF CSc1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2c1 587060568 JMUYQBZQUYWYNX-UHFFFAOYSA-N 367.865 4.475 0 1 FIAF Nc1ccc(-c2ccc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c3c2)cc1N 587088430 NVASLIMQRMEGDJ-CYBMUJFWSA-N 369.419 4.144 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2ccc(Cl)cc2[nH]1)C(F)(F)F 587093399 UAKCIDOSJFXAIU-MRXNPFEDSA-N 369.774 4.380 0 1 FIAF CCOc1cc(/C=C/c2nc3cccc(C(=O)O)c3[nH]2)ccc1OC(F)F 587130612 NAEHCICZLPZCHQ-VQHVLOKHSA-N 374.343 4.432 0 1 FIAF Cc1cc(C)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1 587161166 LABPZXPHCJDODO-UHFFFAOYSA-N 355.804 4.279 0 1 FIAF Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)c(F)cc3[nH]1)O2 587173678 GIPOXCQZPPOFLI-CQSZACIVSA-N 351.150 4.280 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N)cc1)(c1cccs1)O2 587410948 ACFDNNUEHSVRMG-HXUWFJFHSA-N 350.443 4.130 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cccc(Cl)c1)[C@@H](C2)C3=O 587419190 JWADHBHZXPLWDM-XOBRGWDASA-N 366.804 4.227 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O 587419607 DANHXTGTZYZSDE-KBXCAEBGSA-N 364.319 4.391 0 1 FIAF COc1cc2c3c(c1)O[C@](CC1CCOCC1)(c1ccccc1)[C@@H](C2)C3=O 587454793 YBUOTLKKFBWJDL-WMZHIEFXSA-N 364.441 4.155 0 1 FIAF CC(C)(C)OC(=O)N1CC(C[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587516314 BTYRPYJAKNHWSS-MRXNPFEDSA-N 371.477 4.156 0 1 FIAF O=C1C[C@@H](c2ccnn2[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 587517290 KJOFQNUPXGVWEH-VQTJNVASSA-N 352.434 4.168 0 1 FIAF CCOC(=O)[C@@H]1CC[C@@H](C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521683 DYCINNJROCMCAA-GHNFSYLKSA-N 356.462 4.269 0 1 FIAF CCC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585566 DPBAIPPBTXLJGO-KNQAVFIVSA-N 361.397 4.444 0 1 FIAF CCC[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586965 MKKHOVOUTFLFAN-SIKLNZKXSA-N 361.397 4.444 0 1 FIAF C[C@]1(c2c[nH]c3nccc-3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590221 RWSXNIYTYUVZHN-PGRDOPGGSA-N 372.380 4.097 0 1 FIAF CC(C)c1ccc(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651602 BNNHXXJMBZSXRQ-CYBMUJFWSA-N 370.836 4.281 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)nc2)N1 587708682 ZCKKOMOLDYNRBO-ABKXIKBNSA-N 369.665 4.434 0 1 FIAF CCCCn1ccnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587755321 OTMOGHVJWXTGGE-MEDUHNTESA-N 366.278 4.208 0 1 FIAF COCC[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587796432 SVEHQZGJFHROAL-BTJLNZGRSA-N 356.279 4.154 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(C)(C)C)N1 587810570 LEUVKISANPOQAF-DYZYQPBXSA-N 356.279 4.343 0 1 FIAF CC(=O)CC[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814903 WRFJWAQQCPBEQJ-DIFFPNOSSA-N 356.279 4.343 0 1 FIAF CC(C)[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587817132 IWNRLNRMZFVOJS-AEDCBLDQSA-N 368.290 4.343 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3sccc32)N1 587859868 YNVGUIMIINOOHI-FVMDXXJSSA-N 352.272 4.374 0 1 FIAF CCc1cc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)no1 962643255 PYTJJWMTDBVLNC-WMZHIEFXSA-N 359.473 4.073 0 1 FIAF COc1c(F)cc(F)c([C@H]2c3c(F)cccc3C[C@H]3CCCN32)c1F 963117456 WSYLPNXDLUVVBJ-ADLMAVQZSA-N 351.343 4.362 0 1 FIAF CCc1ccc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)cc1 1857570144 IOEHXLGDDADUGK-DEOSSOPVSA-N 369.468 4.156 0 1 FIAF CCC=CCC=CC[C@H](O)[C@H](O)C=CC=CC=CCC=CCCC(=O)O 2356339876 ALWYOLKNLLFCAY-LEWJYISDSA-N 360.494 4.491 0 1 FIAF CC=Cc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)O2 2356545864 QLUCOUQWVFZTNA-MPBGBICISA-N 372.417 4.352 0 1 FIAF CN(C)c1cc2[nH]c(Cc3ccccc3)nc2cc1NC(=O)C(C)(C)C 2382227321 IZGSKXKNWLMZQP-UHFFFAOYSA-N 350.466 4.204 0 1 FIAF CC[C@@H](CO)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 49089023 URNYJHIIZORIJW-KRWDZBQOSA-N 353.466 4.379 0 3 FIAF O=C(NCc1cccc(Cl)c1)[C@@H]1Cc2c(-c3ccccc3)ccnc2O1 61926808 RHVWMHMPWFGILM-IBGZPJMESA-N 364.832 4.022 0 3 FIAF COc1c(C(C)=O)c(C)cc2cc3c(c(O)c12)C(=O)C(C)(C)C(=O)C3(C)C 1611992 BRECKZGJFRHNPM-UHFFFAOYSA-N 368.429 4.134 0 1 FIAF biogenic,in-vivo CC(C)C[C@H](/N=C(\O)c1cccc(OCc2ccc(F)cc2)c1)C(=O)O 12993165 YJVVBGSMOIYBSS-SFHVURJKSA-N 359.397 4.209 0 1 FIAF CN1[C@H]2CC[C@@H]1[C@@H](COc1ccc3c(c1)OCO3)[C@@H](c1ccc(F)cc1)C2 13776966 CUWDCKZGAWYXEX-OJAHFUOMSA-N 369.436 4.200 0 1 FIAF CCN(Cc1ccccc1)C1=NS(=O)(=O)C(c2ccc(C)c(C)c2)=C1C 20900825 ONXVLLHOKXUXAP-UHFFFAOYSA-N 368.502 4.298 0 1 FIAF CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc21 27093429 NYSQQEAGMVLKLA-UHFFFAOYSA-N 355.413 4.379 0 1 FIAF Oc1ccc2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21 27109092 SIAPMUSRZHXEFY-FCHUYYIVSA-O 356.401 4.290 0 1 FIAF Cn1c(=O)c(COc2ccc(OCc3ccccc3)cc2)nc2ccccc21 27655928 HSDVWSVVDHTJPG-UHFFFAOYSA-N 372.424 4.092 0 1 FIAF C[C@H]1c2cc(Cl)cc3c2N(CC3)c2ccccc2N1C(=O)CN(C)C 28771975 BEQDUBGQNXKAFA-ZDUSSCGKSA-N 355.869 4.003 0 1 FIAF COc1cc2c(cc1OC)Oc1ncnc(Nc3ccc(F)cc3)c1NC2 38149528 VXNUNRFSHHUSIE-UHFFFAOYSA-N 368.368 4.094 0 1 FIAF Cn1ccc2ncnc(Oc3cccc(NC(=O)Nc4ccccc4)c3)c21 64416723 DVGKLXKIGJWHSF-UHFFFAOYSA-N 359.389 4.405 0 1 FIAF COc1cc(/C=C/[N+](=O)[O-])c(/C=C/c2ccc(C)cc2)c(OC)c1OC 72124643 YPXUNFUGDAWNSV-HULFFUFUSA-N 355.390 4.439 0 1 FIAF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(CN(C)C)ccc21 103245973 LCSGAWOOXVASDT-JOCHJYFZSA-N 356.485 4.003 0 1 FIAF C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1C(=O)NCc1ccccc1 143473281 PULWYSDHOXHDQV-VGSWGCGISA-N 370.452 4.261 0 1 FIAF Cc1cc(C(F)(F)F)nn1-c1ccc(NCc2c(F)cccc2F)nc1 149818117 CSLPAGRKXQMDMT-UHFFFAOYSA-N 368.309 4.485 0 1 FIAF Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2c(F)cccc2F)nc1 207714960 MCDUVVPSXMZZIS-UHFFFAOYSA-N 369.293 4.358 0 1 FIAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=S)OC[C@]4(C)[C@@H]3CC[C@]12C 253663975 JIAXPKPFEUBJEA-JBAAOHBASA-N 365.583 4.089 0 1 FIAF O=C(OCCO)c1[nH]c2ccc(Cl)cc2c1C1(c2ccccc2)CC1 299826486 DHTUFWBKIIECTD-UHFFFAOYSA-N 355.821 4.050 0 1 FIAF Oc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586984975 JWUPQSWXRCEVIN-KRWDZBQOSA-N 372.266 4.216 0 1 FIAF CCOC(=O)[C@H](CC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989394 HJNLJIZEWXCOTO-GFCCVEGCSA-N 361.397 4.209 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2ccc(CC)cc2[nH]1)C(F)(F)F 587092359 KUHNCJZOCGYKLX-GOSISDBHSA-N 363.383 4.289 0 1 FIAF O=C(O)c1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1F 587230649 WBSNCPGPPHLPEL-UHFFFAOYSA-N 362.364 4.074 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccccc1Br)O2 587375547 DKCOWZUHJQZBJC-SFHVURJKSA-N 360.251 4.306 0 1 FIAF CCCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439764 CVDMBTHMKXULLL-YVHKJVDXSA-N 374.477 4.351 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC[C@H]3CO3)cc1)CC2=O 587482165 CDUSPBQCARFUSJ-AOMKIAJQSA-N 368.429 4.003 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C)C[C@@H]1C(=O)OCC)CC2=O 587483174 VSFRDUKZALVQOB-CQURBHOASA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc3c1O[C@H](C)C3)CC2=O 587483349 FHAAKYDQYGLNNG-ODXCJYRJSA-N 368.429 4.383 0 1 FIAF O=C1C[C@H](c2csc(-c3ncccn3)n2)Oc2c1ccc1c2CCCC1 587534008 ADTWLKNLVBZQNA-QGZVFWFLSA-N 363.442 4.185 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](O)c1ccccc12 587605560 BBDWENAELMSWRT-KPDCDPCYSA-N 374.392 4.077 0 1 FIAF Cc1cccnc1C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587767828 BGANPYJEGUWUEE-XIKOKIGWSA-N 363.274 4.284 0 1 FIAF CC(C)[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587774271 VFUQTSNKVYOERS-XIKOKIGWSA-N 363.274 4.417 0 1 FIAF COc1cccc(OCc2ccc(-c3nc4c(OC)cncc4[nH]3)cc2)c1 587781058 CYKWWOWNFSLYMS-UHFFFAOYSA-N 361.401 4.221 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)OC(C)(C)C)N1 587792777 MSWDGFKHMARPLP-BTDLBPIBSA-N 372.278 4.069 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587822303 JUMOQEZXUPIJSA-KQYVJACZSA-N 368.290 4.487 0 1 FIAF COc1ccsc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587844093 MBGSXOMJKWFYFA-RTHLEPHNSA-N 356.260 4.282 0 1 FIAF CC(C)(C)c1cc(Sc2ncccc2C(=O)O)nc(-c2ccccn2)n1 957869006 WPLLOOWZGHEJDV-UHFFFAOYSA-N 366.446 4.081 0 1 FIAF COc1ccc2c(c1)[C@H](c1cc(-c3ccccc3F)no1)N[C@@H]1CC[C@@H]21 962992639 IAYLWIFAPZOQLU-FIKMYACPSA-N 350.393 4.428 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1c(Cl)cccc1OC 963269260 HGVPVDJLPJIAHN-SFHVURJKSA-N 352.261 4.420 0 1 FIAF CCCC(=O)c1c(O)c(C=O)c2c(c1O)C[C@@H]1C[C@@H](C(C)C)C=C[C@@]1(C)O2 2356538051 PQFNMBGRBKEIGP-FBJOKTGGSA-N 372.461 4.435 0 1 FIAF CCN(C(=O)Cc1c(C(=O)O)[nH]c2ccccc12)c1ccc(C)c(C)c1 201602 DYISVYOFROXMCC-UHFFFAOYSA-N 350.418 4.079 0 1 FIAF CC(C)NCCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl 1634415 HTSBQVRZOVAXQT-UHFFFAOYSA-N 366.292 4.465 0 1 FIAF CC(C)(C)c1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2O)cc1 4654274 LLFIUEPJXQUUEG-UHFFFAOYSA-N 359.422 4.210 0 1 FIAF CS/C=C\C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3[C@H](O)[C@H]2C1 6005428 PCGQGFYOHXONPG-LBOITUOKSA-N 350.480 4.018 0 1 FIAF O=C1C[C@@H](c2ccc(O)cc2)Oc2c(Cc3ccccc3)c(O)cc(O)c21 14971026 JCMOCGVRZVEPSS-FQEVSTJZSA-N 362.381 4.101 0 1 FIAF in-vivo CC1=CC[C@H](C[C@H](O)c2ccccc2I)C(=O)CC1 26745275 UUAJNSLAOHKNRM-WBMJQRKESA-N 370.230 4.030 0 1 FIAF Cc1ncccc1Oc1ccc(N(C)C(=O)c2c[nH]c3ccccc23)cn1 40933924 WPBVWDCLPYQGLK-UHFFFAOYSA-N 358.401 4.335 0 1 FIAF CCN(CC)CCCN(CC)CCOc1ccnc2cc(Cl)ccc12 45339873 AXSWEXUDHSLDFJ-UHFFFAOYSA-N 363.933 4.321 0 1 FIAF O=C(O)/C=C/c1ccc(/C=C2\NC(=O)C(c3ccccc3)=C2c2ccco2)o1 45390383 HSZMZNHHUMSGEH-HNMBUVAWSA-N 373.364 4.052 0 1 FIAF O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1ccc(Cl)cc1 49784923 VRELHTNUDCPQTL-SGRZJPDBSA-N 372.940 4.245 0 1 FIAF COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cccc(C(F)(F)F)c1 64526289 UGVLSVNFPFJPFX-BQYQJAHWSA-N 367.279 4.181 0 1 FIAF COc1cccc(NC(=O)c2cccnc2SCc2ccncc2)c1 64560560 HIVIANQJRYCXIA-UHFFFAOYSA-N 351.431 4.030 0 1 FIAF O=C(N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)C1CCCCC1 72101221 BZEOSGXGSVKWMJ-QGZVFWFLSA-N 363.383 4.281 0 1 FIAF CC(C)CN(C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 82136292 KJRWIGWRGJSPBF-UHFFFAOYSA-N 372.488 4.103 0 1 FIAF Cc1ccc(C2=C3SC=c4ccccc4=C3ON=C2c2ccccc2)cc1 98082994 YXDBOUURVDNHOS-UHFFFAOYSA-N 367.473 4.434 0 1 FIAF Cc1ccccc1-c1ccc2oc(=O)c3[nH]c(=O)n(-c4ccccc4)c3c2c1 210273469 SNMMMRMUTACTCG-UHFFFAOYSA-N 368.392 4.401 0 1 FIAF COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1 261188625 YGCUSHQLYLUYOC-UHFFFAOYSA-N 368.521 4.212 0 1 FIAF O=C(Nc1cc(Cl)c(O)cc1O)C1(c2c(F)cccc2F)CCC1 473112815 DKWOQNHHAFQQGQ-UHFFFAOYSA-N 353.752 4.090 0 1 FIAF O=Cc1ccc(OCc2occc2-c2nc3cc4cn[nH]c4cc3[nH]2)cc1 586900043 ABEQCAYCRUTNMF-UHFFFAOYSA-N 358.357 4.091 0 1 FIAF Cc1onc(-c2nc3c(O)cccc3[nH]2)c1COc1ccccc1Cl 587063188 HIXLEEYWHDZZJH-UHFFFAOYSA-N 355.781 4.464 0 1 FIAF Cc1c(Br)cnc2[nH]c(Cc3c[nH]c4ccc(F)cc34)nc12 587175712 ZRRJYMZSJHYPIZ-UHFFFAOYSA-N 359.202 4.240 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)OC(C)(C)C)cc1)O2 587402488 YLKCDUXGWUMARK-SFHVURJKSA-N 353.418 4.239 0 1 FIAF CC[C@]1(c2ccc([C@H](C)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441888 ULIOYRVKYNOQMX-PFDOBSCMSA-N 352.430 4.456 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccncc1Br)CC2=O 587458200 HNFWXEKOHYPWDJ-MRXNPFEDSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C(C)C)([C@@H](CC)C(=O)OCC)CC2=O 587477586 DBXQHLOADLWLFD-KKSFZXQISA-N 362.466 4.294 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)N(Cc2ccccc2)C1 587481049 XOQFEGBQCNSCGL-MWTRTKDXSA-N 365.473 4.343 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(OCC)nc3sccn13)CC2=O 587500664 UGVYAUKEPNNXJX-HNNXBMFYSA-N 372.446 4.159 0 1 FIAF Cc1cc(C)nc(SC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587532036 KLNUEBFVULITPK-OAQYLSRUSA-N 368.502 4.488 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ocnc2c1 587585864 HUUSHHZCCUFLFB-WIYYLYMNSA-N 359.337 4.236 0 1 FIAF CC(=O)CC[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599188 DEMFERRJQHUHRA-GHTZIAJQSA-N 354.402 4.118 0 1 FIAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc3c(cc2[nH]1)OCO3 587783139 XWWXOMWRQDHOGV-UHFFFAOYSA-N 360.369 4.243 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3[nH]ccc23)N1 587800161 APTAFELRAAGBOQ-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF CCCC[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800808 ZMYNFPZLXDLQCK-GTNSWQLSSA-N 372.278 4.071 0 1 FIAF CC[C@@]1(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)CC(=O)c2ccccc2C1 587959940 JBUSKKXZOZUBCB-NRFANRHFSA-N 366.392 4.168 0 1 FIAF Cc1ccc2oc([C@@]3(C)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)cc2n1 962765089 LYOFRBVANYHOQF-KXBFYZLASA-N 374.362 4.045 0 1 FIAF CCc1cccc(CC)c1-n1ccc([C@H]2NCCc3nc4ccccn4c32)c1 962986439 UBBQQWIUCYTBEQ-JOCHJYFZSA-N 370.500 4.485 0 1 FIAF CC1(C)[C@H](OCc2ccc(CN)cc2)C[C@@]12NCCc1cccc(Cl)c12 963380490 LMCSLPRCUHPMOD-KNQAVFIVSA-N 370.924 4.155 0 1 FIAF CCCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O 1857650804 GQNWTFZHFDONGS-UHFFFAOYSA-N 357.325 4.464 0 1 FIAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@]2(C)CC(=CCCCC(=O)O)C[C@H]12 2356401958 VKPYUUBEDXIQIB-WXOXAHCZSA-N 364.526 4.462 0 1 FIAF CC(C)n1cc(-c2nc(N[C@H]3CCCNC3)ncc2Cl)c2ccccc21 2382252621 NFHIQYVIGIPLLE-AWEZNQCLSA-N 369.900 4.497 0 1 FIAF CC[P@](=O)(OC)c1ccc2oc(-c3ccnc(C(F)(F)F)c3)nc2c1 2382257173 AEHBPIDWECBOEO-VWLOTQADSA-N 370.267 4.478 0 1 FIAF Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2cccnc2C)C1 12373761 RSGIUYMZTYHHMX-OAHLLOKOSA-N 356.853 4.087 0 3 FIAF CC(C)OCCCNC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 2940020 AMDPOGVYPSPZHI-UHFFFAOYSA-N 365.429 4.005 0 1 FIAF CCOC(=O)CC[C@H]1C[C@H](O)[C@@]2(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]12 13518515 HIHFXQWRMIRPGN-XDGUSUJASA-N 372.505 4.179 0 1 FIAF Cc1cccc(-c2nc3ccc(-c4nc5cc(C(N)=O)ccc5[nH]4)cc3[nH]2)c1 13652030 CGVROJNBNGQEFP-UHFFFAOYSA-N 367.412 4.181 0 1 FIAF C[C@H]1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(F)c2)CC1 13860158 HELOJRWGEVUNRF-KRWDZBQOSA-N 366.480 4.406 0 1 FIAF Brc1ccc(N2CCN(Cc3ccccc3)CC2)c2cc[nH]c12 26650889 RBUDKKJLRVBPDA-UHFFFAOYSA-N 370.294 4.253 0 1 FIAF in-vivo CC[C@H](C)c1c(OCc2ccc(C(=O)O)cc2OC)ccc(C(C)=O)c1O 27903995 BVAJHEKPXVMYPW-LBPRGKRZSA-N 372.417 4.394 0 1 FIAF O=C1NC(=O)[C@H](c2cc(Cl)ccc2SCc2ccc(Cl)cc2)N1 28227978 SPLMGGIJFIXMGO-AWEZNQCLSA-N 367.257 4.166 0 1 FIAF O=C(O)c1ccc(Nc2ncc([C@H]3C=NN=N3)c(Nc3ccccc3)n2)cc1 29042679 CSPLUAPBXKCAEC-MRXNPFEDSA-N 373.376 4.155 0 1 FIAF CC1(C)C=Cc2c(ccc3c2OC[C@@H](c2cc4c(cc2O)OCO4)C3)O1 32287354 ADVVUFYZTDQZLS-ZDUSSCGKSA-N 352.386 4.024 0 1 FIAF biogenic Fc1cccc(F)c1-c1cc2c3c(c1)[C@H]1CNCC[C@H]1N3CCCS2 45287906 IHZJIGQJOSYARO-RHSMWYFYSA-N 358.457 4.393 0 1 FIAF CCCc1cc(OC)c(C[C@H]2c3cc(O)c(C)cc3CCN2C)cc1OC 45335141 GDOQYCOTOFAPGF-FQEVSTJZSA-N 369.505 4.442 0 1 FIAF Cc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)s1 49014022 KGXPCXWPSGPYLH-UHFFFAOYSA-N 366.471 4.299 0 1 FIAF Oc1ccc(Nc2nc(-c3ccc(N4CCOCC4)cc3)cs2)cc1 49037247 HGKUYZNOJUOEET-UHFFFAOYSA-N 353.447 4.096 0 1 FIAF COC(=O)c1cnc(C(=O)[C@H]2CCc3cc(-c4ccccc4)ccc3C2)o1 71316584 NDWJPYBSFHUIIR-SFHVURJKSA-N 361.397 4.116 0 1 FIAF Clc1ccccc1CSc1nnc(-c2ccc3c(c2)OCCO3)o1 73196530 HGMKCQYOKOSHGN-UHFFFAOYSA-N 360.822 4.454 0 1 FIAF c1ccc(OCc2nnc(SC3CCCC3)n2-c2ccccn2)cc1 95593920 SRRGEEFVDCCDMB-UHFFFAOYSA-N 352.463 4.276 0 1 FIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccnc(OC(C)C)c3)C2)cc1 96172904 XFFMESBMOMYYPX-MRXNPFEDSA-N 368.477 4.219 0 1 FIAF O=C(CCCc1ccccc1)Nc1nc2cc(Cl)ccc2c(=O)s1 96905579 FWNYCNZFSIUYOA-UHFFFAOYSA-N 358.850 4.271 0 1 FIAF O=S1(=O)c2ccccc2CN1c1cc(F)cc(OCc2ccccc2)c1 116939292 HXCOHBFCXVAKHT-UHFFFAOYSA-N 369.417 4.114 0 1 FIAF C[C@H](Nc1ncc(F)c(N2C(=O)OC(C)(C)C2(C)C)n1)c1ccccc1 142096853 LNLXSVMPWQTLRR-LBPRGKRZSA-N 358.417 4.303 0 1 FIAF COc1ccccc1NC(=O)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 146791407 QXOPYDMZOGKDRQ-JCNLHEQBSA-N 358.413 4.346 0 1 FIAF O=C(N[C@@H]1CCC[C@H](NCc2c[nH]c3ccccc23)C1)c1ccc(F)cc1 169350909 RJEOWQOMOYEZIE-RBUKOAKNSA-N 365.452 4.138 0 1 FIAF COCC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(=C/C(=O)O)CO 238734343 RRINIBHGKGLNCO-KCYPZFETSA-N 350.499 4.195 0 1 FIAF COc1cc([C@@H]2OC[C@H](CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)O2)ccc1O 261499523 ZOGKSXQLOOQXFG-YPFFTNNCSA-N 364.482 4.292 0 1 FIAF endogenous,in-man CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccccc2F)n1 299887597 ZDLYSLXAVUEXRN-RDTXWAMCSA-N 370.472 4.047 0 1 FIAF CCCOc1cc2nc(-c3cccc(CO)c3)[nH]c2cc1Br 586895195 UEFCJOQRCWPRNK-UHFFFAOYSA-N 361.239 4.274 0 1 FIAF Cc1c(-c2nc3cc(F)c(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905293 JFQAMFJJYMVYBG-LBPRGKRZSA-N 365.202 4.403 0 1 FIAF C[C@H](O)c1ncc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)s1 587022378 QEFGYTRZKYONMI-LBPRGKRZSA-N 351.431 4.319 0 1 FIAF Clc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2nc1Cl 587041420 NPCPJVMDTIOQGQ-OLZOCXBDSA-N 365.289 4.211 0 1 FIAF COc1cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2cc1F 587109824 VUNLSEOVXWIRQR-UHFFFAOYSA-N 354.259 4.095 0 1 FIAF O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccc(Br)cc1 587208297 OOOHWTJIRCHYRJ-UHFFFAOYSA-N 367.246 4.277 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc[nH]1)(c1cc(Cl)ccc1N)O2 587375947 BANYPMADHYQHOO-FQEVSTJZSA-N 367.836 4.050 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC3CCCC3)cc1O)O2 587402868 IRHYTMGLHCGHCH-HXUWFJFHSA-N 353.418 4.311 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1C(=O)O)O2 587409479 VLDTZCFVUSWYJW-HSZRJFAPSA-N 373.408 4.184 0 1 FIAF COc1cccc([C@]2(C[C@@H]3CCCO3)CC(=O)c3cc(C)cc(N)c3O2)c1 587412675 NXDOPJFRZFVXRZ-JTSKRJEESA-N 367.445 4.016 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cncc4nc(C(C)(C)C)oc14)[C@@H](C2)C3=O 587436849 UWAKWEQYHXALQB-KPZWWZAWSA-N 364.401 4.018 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(C1(O)CCCCC1)[C@@H](C2)C3=O 587451218 QIVBRXZKSLHMEW-MBSDFSHPSA-N 364.441 4.033 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CCCCC1OCCO1)(C1CC1)CC2=O 587493700 VBTOZSXBZPANLD-QFIPXVFZSA-N 374.477 4.392 0 1 FIAF O=C1C[C@@H](c2cc(Br)ccn2)Oc2c1ccc1c2CCCC1 587503375 NTWOKCUIKLBEMO-KRWDZBQOSA-N 358.235 4.429 0 1 FIAF COC(=O)c1ccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522866 IEPRSZNEFNNZNO-SFHVURJKSA-N 364.441 4.319 0 1 FIAF C[C@@]1(c2nc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585741 HICUIJMLXRKUSP-PGRDOPGGSA-N 373.364 4.410 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2o1 587588961 VTXLVOFNBRLSLA-XLIONFOSSA-N 359.337 4.236 0 1 FIAF Cc1nn(C)c(C)c1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C 587622504 CCXIKZMJNZWXBM-UHFFFAOYSA-N 358.243 4.132 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(F)c2)N1 587724393 HPTKTVZJKXGJOG-VVVCHXIZSA-N 368.221 4.231 0 1 FIAF CCOc1ccccc1OCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873176 DECUUHXHSAICIX-UHFFFAOYSA-N 354.337 3.913 0 1 FIAF COC(=O)c1cc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2cc1OC 587967136 LMICNXDONGLPFE-UHFFFAOYSA-N 352.434 4.198 0 1 FIAF COc1ccc2c(c1)[C@](C)(c1cnc(Cl)nc1Cl)N(C(C)C)CC2 962092026 ORGMBYLVNSZNTI-GOSISDBHSA-N 366.292 4.322 0 1 FIAF CN1C(=O)C[C@]2(NCCc3cccc(-c4ccccc4)c32)c2ccccc21 962657292 AMQOVFGDEPPYGX-DEOSSOPVSA-N 354.453 4.109 0 1 FIAF C[C@@]1(c2ccc(NC(N)=S)cc2)NCCc2cccc(-c3ccccc3)c21 962672886 UFFNAADJAZYPAR-QHCPKHFHSA-N 373.525 4.418 0 1 FIAF N[C@@H]1CO[C@@H](CCCCCCCCCCOCC2CCCCC2)[C@H]1O 1772628523 MPXINAVXVRBCLE-HKBOAZHASA-N 355.563 4.181 0 1 FIAF C[C@H](O)C=CCC=CC[C@@H](O)C=CC=CCC=CCC=CCCC(=O)O 2356389061 FRJZMMUVPROLHN-SFTDATJTSA-N 360.494 4.491 0 1 FIAF COc1cc(C=CC(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1OC 2356645168 HOEXVZGRLZDKIW-YBOAYWMSSA-N 374.477 4.484 0 1 FIAF CCCn1nc2cc(C(=O)N[C@H]3CCc4ccccc43)ccc2c1OCC 8628409 LZUPOYCNCCUXDA-IBGZPJMESA-N 363.461 4.262 0 3 FIAF CN(Cc1ccccc1)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 9635984 JEVVGFPDVYYQJF-UHFFFAOYSA-N 374.419 4.097 0 1 FIAF COc1cccc2c1CCC[C@H]2CCCN1CCN(c2ccccn2)CC1 13470658 KKPMYWNQZNRGIK-IBGZPJMESA-N 365.521 4.113 0 1 FIAF O=c1cc(-c2ccccc2)oc2cc(O)c(OCc3ccccc3)c(O)c12 13584582 MSFGOVWVLYXCLD-UHFFFAOYSA-N 360.365 4.450 0 1 FIAF COc1c(C)c(C)c(Br)c(O)c1C/C=C(\C)CCC(=O)O 13759742 ZYGQIARNLRVSHK-WEVVVXLNSA-N 357.244 4.134 0 1 FIAF COc1ccc(C(=O)[C@@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)cc1OC 14646614 REESMTMKWHNVKU-KBPBESRZSA-N 356.418 4.130 0 1 FIAF biogenic CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@]12C 29336321 AUAUCYBUJPIJEI-HRAFFABISA-N 374.521 4.059 0 1 FIAF O=C1[C@H]2Nc3ccc(Br)cc3[C@@H]2N=CN1CCC1=CCCCC1 40917155 CCOPSCZJPVCEHX-IRXDYDNUSA-N 374.282 4.045 0 1 FIAF COc1ccc([C@H]2NC(=O)c3ccccc3-c3ccnc4[nH]cc2c34)cc1 45336577 LKECANFHBMMEAQ-HXUWFJFHSA-N 355.397 4.071 0 1 FIAF C[C@@H](CO)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 72142897 OOOGYHDDMFLPAC-HNNXBMFYSA-N 368.908 4.112 0 1 FIAF CNc1nc2ccc3nc(NC(=O)c4cccc(OC)c4)sc3c2s1 96929298 YIWASOZVCBTMNE-UHFFFAOYSA-N 370.459 4.209 0 1 FIAF COc1cccc([C@H]2CC3=Nc4ccc(F)cc4S(=O)(=O)C3=C(O)C2)c1 100796320 CNJZKFKRTCGDBQ-LBPRGKRZSA-N 373.405 4.041 0 1 FIAF CC1(C)CC2=Nc3ncnn3[C@@H](c3ccc(OC(F)F)cc3)C2=C(O)C1 103539486 RLOKYDOXLAQVMU-HNNXBMFYSA-N 360.364 4.187 0 1 FIAF CC(=O)O[C@H]1C[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]2C[C@@H]3[C@@H]4C[C@]12C[C@@]43C 137122282 GTVZKXBUEWHMES-XIYNZETQSA-N 360.494 4.272 0 1 FIAF Cc1cc(C)c(Oc2ccc(F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1C 143194329 PDBSQZAMVOMCHJ-UHFFFAOYSA-N 366.392 4.484 0 1 FIAF O=C(Cc1c(Cl)cc(Cl)cc1C1CC1)N[C@H]1COc2ncccc21 146606510 AVLURPHODSTTMN-INIZCTEOSA-N 363.244 4.058 0 1 FIAF Cc1ccc([C@H]2OC(=O)O[C@]3(c4ccc(C)cc4)CCN(C)C[C@@H]23)cc1 169347868 BGZGKVAVORWNIY-VWPQPMDRSA-N 351.446 4.359 0 1 FIAF Nc1cc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2cc1N 587065270 XBBUOEHRIWCNKI-UHFFFAOYSA-N 354.797 4.220 0 1 FIAF FC(F)(F)COc1cc(-c2nc3cccc(Br)c3[nH]2)ccn1 587092638 XWGAUGVJULMIIJ-UHFFFAOYSA-N 372.144 4.329 0 1 FIAF CCOc1cc(/C=C\c2nc3ccc(CCO)cc3[nH]2)ccc1OC(F)F 587130687 NWNYYJWZHJFZIB-YVMONPNESA-N 374.387 4.268 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@@H](C)c3ccc(N(C)C)cc3)nc12 587195118 GEPRSLJJSQEKCL-JTQLQIEISA-N 359.271 4.247 0 1 FIAF CC(C)(C)OC(=O)N(Cc1nc2ccc(Cl)cc2[nH]1)C[C@@H]1CCCO1 587197490 PPTYSZVPXMPXHT-ZDUSSCGKSA-N 365.861 4.132 0 1 FIAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)c1 587383430 WRGVODFSUOPQIX-GOSISDBHSA-N 365.351 4.485 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(F)c1-n1cccn1)CC2=O 587467888 UZVBGNXIGUOUHP-IBGZPJMESA-N 366.392 4.376 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(OC)cc1OC)CC2=O 587480130 NMYVEWHEUQIMAY-LJQANCHMSA-N 356.418 4.377 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1sc(N(C)C)nc1Cl)CC2=O 587493925 JFMYZOFMIBIKHD-ZDUSSCGKSA-N 366.870 4.227 0 1 FIAF CCn1ncc([C@@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587507579 RAQDLKSOAKKOCI-HXUWFJFHSA-N 360.404 4.216 0 1 FIAF O=C1C[C@H](c2cc(F)nc(N3CCCC3)c2)Oc2c1ccc1c2CCCC1 587510845 XFTKNCPIRGNUQA-LJQANCHMSA-N 366.436 4.406 0 1 FIAF Nc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542816 AGWFTGJNZKZKRR-XLIONFOSSA-N 367.788 4.331 0 1 FIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Cl 587553863 WITPYVHNESTKPW-VQIMIIECSA-N 367.788 4.452 0 1 FIAF CC[C@H](C)n1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587758336 INAVIOOHTLHXJR-DINDLPBHSA-N 366.278 4.379 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 587828651 PFSFUUDFPBRGMM-UGPQITNXSA-N 374.297 4.096 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)cs2)N1 587852745 IJLVWNSLBNQKPI-SREIQFSDSA-N 361.667 4.322 0 1 FIAF O=C1[C@H](Oc2ccccc2)[C@@H](c2ccncc2)N1c1nc2ccccc2s1 1772630445 SJNTWDFBFVLXMN-RTBURBONSA-N 373.437 4.227 0 1 FIAF NCCCCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc2ccccc21 1772647959 NWHCWPUZOMGCOW-UHFFFAOYSA-N 365.521 4.079 0 1 FIAF CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)[C@H]1CC[C@@](C)(O)CC1 1772650443 BMZUXFKNMHQVBU-AUUXCDECSA-N 355.522 4.069 0 1 FIAF CCC(=O)N(Cc1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1 881126 KXBMZNUJHVTQSV-UHFFFAOYSA-N 372.446 4.364 0 3 FIAF Cc1cccc(CN2C(=O)[C@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)c1 12479829 ALDXEYSYIRNXBH-LJQANCHMSA-N 373.456 4.101 0 3 FIAF O=C(NCC1CC1)[C@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 13829088 LPZYNTVGLHCWNE-QHVUTBCBSA-N 367.411 4.183 0 3 FIAF CC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4)cn23)c1 61905459 HDWFDMGVZJGADK-UHFFFAOYSA-N 355.397 4.439 0 3 FIAF CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(Cl)cc2)O1 95598748 KTAIDOJORCYDTH-WFASDCNBSA-N 350.871 4.307 0 3 FIAF C/C=C/c1ccc(O[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)c(OC)c1 1610893 IQQVVIZXMFMANE-UZYOAWRESA-N 356.418 4.396 0 1 FIAF CCC(=O)NCc1cc2c(OC)cccc2n1C(=O)c1ccc(Cl)cc1 13645601 JZRVFYJZVXNSMM-UHFFFAOYSA-N 370.836 4.018 0 1 FIAF CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@@H]3CC[C@]21C 13783477 DUSHUSLJJMDGTE-WPCRADJZSA-N 374.908 4.037 0 1 FIAF CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1Cl 64539406 YTLKLVQMVKRXLX-GOSISDBHSA-N 366.804 4.144 0 1 FIAF COc1cc(OC)cc(-n2cc(COC/C=C(\C)CCC=C(C)C)nn2)c1 66112989 PQIZORVTRHXHMM-RQZCQDPDSA-N 371.481 4.494 0 1 FIAF CCCN(CCCCNC(=O)Cc1ccccc1)C1Cc2ccccc2C1 71316579 XZIQPBDZWFZJRV-UHFFFAOYSA-N 364.533 4.005 0 1 FIAF COc1ccc2c(C(=O)c3nccc4c3[nH]c3cc(OC)ccc34)c[nH]c2c1 73295364 WPMVYZFRMATFJA-UHFFFAOYSA-N 371.396 4.446 0 1 FIAF biogenic CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(C)C)cc3)nc2c1 73314580 NYQQNQQELNMGGF-UHFFFAOYSA-N 360.435 4.152 0 1 FIAF COc1ccc(-c2n[nH]c3ccnc(-c4cccc(C(=N)O)c4)c23)c(C)c1 74388442 GFJLKYWVPAZIBN-UHFFFAOYSA-N 358.401 4.492 0 1 FIAF COc1ccccc1Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1 117570084 OVEPLRQMCGSRTM-UHFFFAOYSA-N 360.417 4.471 0 1 FIAF O=C(c1ccc(OC(F)(F)F)cc1)c1ccn(-c2ccc(O)c(F)c2)c1 169311952 HXFAFEBPRNIRRS-UHFFFAOYSA-N 365.282 4.452 0 1 FIAF CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@]2(C)CC[C@@](C)(O)C(C)(C)C 169332751 CXURXMFUAVXDOC-JMJGKCIBSA-N 359.554 4.494 0 1 FIAF O=C(O)CCCCCC[C@@H]1C(=O)CC[C@@H]1/C=C/[C@@H](O)COc1ccccc1 169692544 NZGFSDWJUZOAAX-FFQAAIQOSA-N 374.477 4.003 0 1 FIAF in-vitro O=C(O)CCCCCC[C@@H]1C(=O)CC[C@@H]1/C=C\[C@@H](O)COc1ccccc1 261146328 NZGFSDWJUZOAAX-SYRXEOIHSA-N 374.477 4.003 0 1 FIAF in-vitro COC(=O)c1cc(Cl)c2[nH]c(-c3cccc4c3OCC4(C)C)nc2c1 586912970 YRHIRBPTCBVUCX-UHFFFAOYSA-N 356.809 4.340 0 1 FIAF Cc1ccc(-c2nc(-c3nc4cncc(Br)c4[nH]3)cs2)o1 587016923 QAHKNVWTPNNKQI-UHFFFAOYSA-N 361.224 4.412 0 1 FIAF COc1cc(OC)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 587085619 XBERBNLOYYNDRU-UHFFFAOYSA-N 366.808 4.358 0 1 FIAF CCOC(=O)[C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 587098297 QFYYJNOHOJFUTR-AWEZNQCLSA-N 371.436 4.423 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc3nc(C)cc(C)c3c1N)O2 587415443 SFWNVBWDODUCKF-HXUWFJFHSA-N 367.474 4.267 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(CN4CCCCC4)cs1)[C@@H](C2)C3=O 587450415 FXCCGITVBVNDOR-KKSFZXQISA-N 369.486 4.231 0 1 FIAF CC(C)(C)OC(=O)N1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515494 SMCXGYOEBQOAFL-QFIPXVFZSA-N 371.477 4.300 0 1 FIAF COC1(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCC1 587598467 BAZOYFVVUAIPPU-FXAWDEMLSA-N 354.402 4.072 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(F)c2)N1 587726693 YWJUAFFUPDYWEP-PWJLMRLQSA-N 356.185 4.490 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCC(C)C 587863031 BFINUQFLPISAOE-UHFFFAOYSA-N 371.428 4.346 0 1 FIAF CO[C@H](C)COC1CCC(c2nc3ccc4nc(C)ccc4c3[nH]2)CC1 587950183 ACTDRFIPHYNWOZ-QQFBHYJXSA-N 353.466 4.497 0 1 FIAF COc1nn2cc(-c3cc4cc(OC(F)(F)F)ccc4o3)nc2s1 653671303 YWOWAVLUYBGUGR-UHFFFAOYSA-N 355.297 4.111 0 1 FIAF CN(C)c1nc(Cl)c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)s1 963118653 GTUQTISMRBKGHM-LLVKDONJSA-N 362.713 4.404 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]21CC(=O)C[C@H](c2ccccc2)C1 963270894 RVOPLYJZZOOTPH-BTYIYWSLSA-N 355.865 4.226 0 1 FIAF Oc1ccc2c(c1)[C@](c1ccc(Br)cc1)(C1CCC1)NCC2 963343359 UPKKFUBEWQATHR-LJQANCHMSA-N 358.279 4.344 0 1 FIAF O=C(CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccsc1 2382220386 ZDEMZIVORSFDAA-UHFFFAOYSA-N 368.424 4.162 0 1 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccsc1 4153219 UTSSYCQZRJYRIV-HKUYNNGSSA-N 372.490 4.155 0 1 FIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215156 RZYUDLQJUQIDHN-LRGNLBRXSA-N 374.525 4.224 0 1 FIAF C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26394173 GQECVTUOELTXTC-CCZOWFRTSA-N 359.510 4.312 0 1 FIAF Cc1cccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(C)s3)n2)c1 35310326 MALNQGDQKFOVDK-HNNXBMFYSA-N 353.447 4.392 0 1 FIAF O=C(CCc1ccc2c(Cl)c(O)ccc2c1)Nc1ccccc1C(=O)O 38208971 VCUDEXZWODSSMS-UHFFFAOYSA-N 369.804 4.468 0 1 FIAF CC(C)[C@H](NC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1 84671866 DKKPQUFSNQFNET-INIZCTEOSA-N 360.251 4.086 0 1 FIAF C[C@H](c1cccc2ccccc12)N1C(=O)CC(=O)N(C2CCCC2)C1=O 101678085 FAVQHQUCWSUTEZ-CQSZACIVSA-N 350.418 4.024 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@]23CC[C@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 102313661 PTGGVIKFNQSFBY-RTPGJASESA-N 358.478 4.210 0 1 FIAF C[C@H](F)c1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl 103276823 DPYSTEWYIMSIQO-NSHDSACASA-N 351.853 4.332 0 1 FIAF FC(F)(F)c1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1 113133284 SSXPZXJQITXPKU-UHFFFAOYSA-N 362.355 4.006 0 1 FIAF COC(=O)C/C=C1/CC2=CC[C@]3(C)C(=O)CC[C@@]3(C)[C@@H]2CC[C@H]1C(C)(C)O 139074987 QHOOFRIKIADFKW-VPPZANPOSA-N 374.521 4.369 0 1 FIAF Nc1nc(N)c2c(Cl)c(SCc3ccc(Cl)cc3)ccc2n1 169321694 ALKYJXQTMLMIKL-UHFFFAOYSA-N 351.262 4.393 0 1 FIAF CCCCC[C@H](O)/C=C/CCCC(=O)N(C)CCCCCCC(=O)OC 169322016 YTBPKNFWIRSCLR-XATQLNLPSA-N 369.546 4.236 0 1 FIAF Oc1cc(N2CC=C(c3ccc(F)cc3)CC2)c(O)n1-c1ccc(F)cc1 169689975 ROZAFYPRBZUSRG-UHFFFAOYSA-N 368.383 4.460 0 1 FIAF C[C@H](O)CCCCCCCCCC[C@H](O)CCC[C@H]1CC[C@H](O)[C@@H](C)N1 238744682 JKIBIUKLWMZLGX-WIYBCGNWSA-N 371.606 4.301 0 1 FIAF Brc1nc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(C2CC2)s1 587012360 INAQCRZAURDIAN-UHFFFAOYSA-N 360.240 4.203 0 1 FIAF COC(=O)Nc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cn1 587245820 YYRZAJWIDDEOLR-UHFFFAOYSA-N 374.400 4.382 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(Cl)cc1)[C@@H](C2)C3=O 587423060 SXPFSLVXRIOBOY-XOBRGWDASA-N 366.804 4.227 0 1 FIAF CCN(CC)CCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569636 GVHLDQBRXGGFKB-SIKLNZKXSA-N 369.461 4.235 0 1 FIAF Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1C 587609390 BTRRPPDFPWDWKG-UZLBHIALSA-N 367.426 4.343 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(F)c2)N1 587726695 YWJUAFFUPDYWEP-VPTHRUTESA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(O)cc2)N1 587830092 BCMYJNIUBKPMEA-ZMZPIMSZSA-N 364.258 4.286 0 1 FIAF C[C@@H](Oc1ccc(F)cc1F)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874353 WQKVYVQRFMATCT-SECBINFHSA-N 360.291 4.181 0 1 FIAF CN(C)c1ccc(-c2cnc3cnc(-c4ccccc4N(C)C)cn23)cc1 653686443 BLUKQUQSZCFTFQ-UHFFFAOYSA-N 357.461 4.195 0 1 FIAF O=C1C=C2C=C(c3ccc(Cl)c(Cl)c3)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 653687113 RJQVIIFNVOHZQM-SCTDSRPQSA-N 362.256 4.239 0 1 FIAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3ncccc3C2=O)c(Cl)c1 653746731 YWGOCCQPXCAVAO-UHFFFAOYSA-N 367.792 4.049 0 1 FIAF CC(C)c1cnc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962731482 SMFZDWKKNRHURG-JSGCOSHPSA-N 354.397 4.002 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2coc3cccc(OC)c3c2=O)N1 962950385 MSVQFUAMRHOACE-WHEQGISXSA-N 374.440 4.297 0 1 FIAF Cc1nc2c(oc3nc(-c4cccs4)cc(C(F)(F)F)c32)c(=O)n1C 1857637109 LANKRXPKHJGGGT-UHFFFAOYSA-N 365.336 4.130 0 1 FIAF CCC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccccc1c2=O 61921280 HTSJAJYRAJFVIL-IBGZPJMESA-N 369.424 4.124 0 3 FIAF Cc1ccc(C)n1[C@@H]1C(=O)N(Cc2ccc(Cl)nc2)c2c(F)cccc21 206029105 HNAFQGIUJGDWAW-IBGZPJMESA-N 369.827 4.429 0 3 FIAF CNC(=O)c1cccc(NC(=O)OCc2c(Cl)cccc2Cl)c1 588904 YIVGWWISQMVJHT-UHFFFAOYSA-N 353.205 4.102 0 1 FIAF CC[C@@H](C)NC(=O)c1sc2nc(C)nc(N3CCC(C)CC3)c2c1C 753907 KKBRCESTACOOAN-GFCCVEGCSA-N 360.527 4.073 0 1 FIAF CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1Cl 4902795 UXQYGQOWXBPPRQ-XIKOKIGWSA-N 374.843 4.091 0 1 FIAF CCCc1c(CO)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 28825618 CWUCKIADERNOQA-UHFFFAOYSA-N 354.159 4.038 0 1 FIAF O=C1NC(=O)[C@@H](Sc2ccc3ccccc3c2Br)S1 29216430 HFPNSALLRUGPJS-LBPRGKRZSA-N 354.250 4.004 0 1 FIAF Oc1ccc([C@H]2NCCN[C@H]2c2c(Cl)cc(O)cc2Cl)c(Cl)c1 40663213 KERKOYWNYGYPDS-CVEARBPZSA-N 373.667 4.033 0 1 FIAF CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1 49068353 CNTWBCWZOSQXHF-OAQYLSRUSA-N 371.864 4.007 0 1 FIAF CC(=O)OC[C@]1([C@@H]2CO2)CC[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 85699548 QLFSWDVLYHGOBQ-WTNOFXFJSA-N 364.526 4.499 0 1 FIAF biogenic O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1 100391885 LDQTVSTXBDCFCN-DEZRYOJYSA-N 374.484 4.329 0 1 FIAF O=c1cc(-c2cc(Br)c(Br)[nH]2)oc2ccccc12 103135431 NHSUAQYDBMEMRP-UHFFFAOYSA-N 369.012 4.313 0 1 FIAF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2Cc1nn[nH]n1 147988671 RJGDGXXVZNRGDY-QGAUHXJISA-N 366.509 4.183 0 1 FIAF Cc1ccnc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc12 586958527 FQPYILHHPZCQOU-SANMLTNESA-N 361.470 4.305 0 1 FIAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587085344 POYAFLXGOHKDHZ-KRWDZBQOSA-N 364.796 4.064 0 1 FIAF O=C(O)c1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1F 587092214 SUGFEBFGDCIRKK-UHFFFAOYSA-N 371.315 4.117 0 1 FIAF COc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C(F)(F)F)c1 587095585 LTCGFJJUPBCRNB-UHFFFAOYSA-N 362.233 4.018 0 1 FIAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(C(N)=O)cc4[nH]3)ccc2F)cc1 587139255 DYOJAEKHNTUSTM-UHFFFAOYSA-N 373.387 4.338 0 1 FIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cnc2[nH]1 587151563 SLRSRIUYEGAJHW-ZETCQYMHSA-N 354.154 4.139 0 1 FIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(C(F)(F)F)cc2[nH]1 587176029 ZMISPVIATHFJIN-CYBMUJFWSA-N 362.330 4.445 0 1 FIAF Fc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(N2CCCC2)n1 587177677 SXVNCHXWWOKNPD-UHFFFAOYSA-N 352.200 4.066 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cc(OC)cc1OC)CC2=O 587484125 WRTRYIPUIKMMOG-LJQANCHMSA-N 372.417 4.077 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)c3ccccc31)CC2=O 587490040 QCYMATCNNNMYDO-JLCFBVMHSA-N 366.413 4.167 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1F 587554430 DGGQYGRNVRBYFN-XLIONFOSSA-N 354.308 4.373 0 1 FIAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)o1 587616883 NKTNAEXUHVUFCV-RXVVDRJESA-N 350.370 4.479 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(F)ccc32)N1 587731120 KJJZZGLKLROLKV-MLCYQJTMSA-N 364.233 4.451 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(F)ccc32)N1 587735497 UTCHDLFCBFJGOX-YPMLDQLKSA-N 364.233 4.451 0 1 FIAF Cc1cccn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 587776325 WOILNIDGMZQYMP-DIFFPNOSSA-N 374.257 4.168 0 1 FIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 587786950 TZUPDWMYFLHRLF-WDEREUQCSA-N 362.216 4.208 0 1 FIAF COC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587797857 XVJCTBBZBONLFQ-KZULUSFZSA-N 364.258 4.012 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc2cccc(OC)c2o1 963044823 DNHQQRQLSDIACZ-NRFANRHFSA-N 360.413 4.233 0 1 FIAF COc1ccc(-c2cnc3[nH]cc(NC(=O)C4CCCC4)c3c2)cc1OC 1857574101 ITYGLUZPSQPXQS-UHFFFAOYSA-N 365.433 4.376 0 1 FIAF O=C1OC[C@H]2CCN(Cc3cccc(Cl)c3)Cc3ccc(F)cc3N12 2356289838 AUTRRDCLHYUANA-QGZVFWFLSA-N 360.816 4.210 0 1 FIAF Cc1cc(OC(=O)N(C)C)nc(SCc2c(Cl)cccc2Cl)n1 1044445 JPSLPKCMOFDVRH-UHFFFAOYSA-N 372.277 4.445 0 3 FIAF CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2C)cc1 774362 OXKAANRKILVJIJ-UHFFFAOYSA-N 364.445 4.194 0 1 FIAF CSc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5891342 LJIMJRPXJPGBAF-UHFFFAOYSA-N 370.261 4.465 0 1 FIAF O=C(Nc1nc2ccccc2n2cncc12)c1c(Cl)cccc1Cl 13441467 HZHKHCJSNXPZKT-UHFFFAOYSA-N 357.200 4.442 0 1 FIAF COc1cccc2c1[C@H](CN(C)CCc1ccc3c(c1)OCO3)CCC2 13761395 JQJYDTHCKSSCEW-SFHVURJKSA-N 353.462 4.018 0 1 FIAF CCN(CCNC(=O)Nc1ccccc1Br)c1ccccc1 14973936 IMWQSDVUAWAMRK-UHFFFAOYSA-N 362.271 4.097 0 1 FIAF Fc1ccc(-c2cccc(N3CCC(NCCc4c[nH]cn4)CC3)c2)cc1 20998354 SYIDYLWZGYEMAF-UHFFFAOYSA-N 364.468 4.017 0 1 FIAF N=C(N)c1ccc(/C=C/C=C/C=C/c2cc3cc(C(=N)N)ccc3o2)cc1 27885030 COGBMILTBQHUIU-CRQXNEITSA-N 356.429 4.284 0 1 FIAF Brc1ccc(-c2c[nH]c([C@@H]3Cc4ccccc4CN3)n2)cc1 58649758 ZBOUSWQJXIKQSX-INIZCTEOSA-N 354.251 4.226 0 1 FIAF in-vitro COc1cc(CCN[C@@H](C)COc2c(C)cc(Cl)cc2C)ccc1O 66166917 UIIFVEDLKPJKIY-HNNXBMFYSA-N 363.885 4.271 0 1 FIAF CO[C@@H]1OC(=O)[C@@H]2CCC([C@]3(C)CCCC(C)(C)C3)=C([C@H](C)C(=O)O)[C@@H]12 85803282 FKJMFFZJNWGYKI-FLAYFFRHSA-N 364.482 4.166 0 1 FIAF biogenic C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c3c[nH]cn3)c2c1 95554841 MIKQGYUJUCKCKH-JTQLQIEISA-N 367.792 4.048 0 1 FIAF c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 95595519 YICOMQJXLKJTLW-UHFFFAOYSA-N 352.463 4.276 0 1 FIAF Cc1oc(-c2ccccc2)nc1CCCCC[C@H]1CO[C@@](C)(C(=O)O)OC1 101161331 SJJKYRQEZVXZHG-OQIWPSSASA-N 373.449 4.217 0 1 FIAF O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(OC(F)(F)F)cc1 103187548 MCGOEVNQKRJAHD-UHFFFAOYSA-N 374.290 4.138 0 1 FIAF O=C1[C@@H]([C@H](O)c2ccccc2C(F)(F)F)CCCN1Cc1ccccc1 103282495 RXBYDWNULXSQJL-SJLPKXTDSA-N 363.379 4.178 0 1 FIAF OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 169310659 TZAWKCIVGVDWDQ-QHCPKHFHSA-N 366.549 4.289 0 1 FIAF COC(=O)C1(C(=O)OC)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@H]12 299830530 INTWVMASYRXTLY-WIYYLYMNSA-N 370.445 4.078 0 1 FIAF O=S(=O)(Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)C1CCCC1 586924691 UEWYOXRZMQVFTA-UHFFFAOYSA-N 356.447 4.213 0 1 FIAF Cc1ccc2c3c(c4c(nc13)[C@H](CC(=O)N(C)C)CC4)-c1ccccc1C2=O 586998193 YRXLMEGDICRGGS-AWEZNQCLSA-N 370.452 4.263 0 1 FIAF Fc1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587019183 URFUEHDLJCVPOH-UHFFFAOYSA-N 367.405 4.188 0 1 FIAF CCS(=O)(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587080179 NKUBCJPREXEBRW-UHFFFAOYSA-N 373.865 4.013 0 1 FIAF COC(=O)[C@]1(C)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587105968 CKOCYLOAMCTNIH-HSZRJFAPSA-N 357.409 4.114 0 1 FIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(N)c(N)cc2[nH]1 587121417 BVJOJPWCEPKDTB-UHFFFAOYSA-N 373.338 4.150 0 1 FIAF Cc1ccc2c(ccc3nc([C@@]4(C)C=C(c5ccccc5F)NO4)[nH]c32)n1 587157034 RAGGHDUXDZZHNM-OAQYLSRUSA-N 360.392 4.350 0 1 FIAF CC1(C)CC(=O)C(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)C1 587206710 HAAPSYBNCKWLJL-UHFFFAOYSA-N 369.420 4.488 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)C1CCCC1 587227496 YFKZDVKIIVGHRO-JKSUJKDBSA-N 373.457 4.043 0 1 FIAF CC(=O)NC1(c2nc3ccc(F)c(Br)c3[nH]2)CCC(C)CC1 587234262 IJJGUURPAOEJLI-UHFFFAOYSA-N 368.250 4.006 0 1 FIAF CCCCCOc1cc2nc(CC3CC(N)C3)[nH]c2cc1Br 587255048 CDFAWIFPFRSOIE-UHFFFAOYSA-N 366.303 4.174 0 1 FIAF COC[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353645 ZQVUODHHJAADBW-IRLDBZIGSA-N 370.420 4.466 0 1 FIAF CCOc1cc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587373343 CQZZEZLPYJZFPO-INIZCTEOSA-N 361.825 4.344 0 1 FIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(C)C 587398051 AGHDQZZTOZIUOI-LJQANCHMSA-N 355.434 4.327 0 1 FIAF COc1cc2c3c(c1)O[C@H](C[C@@H](C)c1cn(C)c4ccccc14)[C@@H](C2)C3=O 587431232 NBLXLWYYLMKVRB-YXKFXFPPSA-N 361.441 4.497 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cncc(C)n4)cc1)[C@@H](C2)C3=O 587436463 RLZYBTFQFFEZCI-HTAPYJJXSA-N 374.396 4.075 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cn1 587555176 ZFKZYPGMMFEYAM-APWZRJJASA-N 353.761 4.144 0 1 FIAF CN(C)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570105 HZRUJUALHINXPB-SIKLNZKXSA-N 361.397 4.161 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccccc1OC2 587614539 CHAORXSRILNSPS-REWPJTCUSA-N 374.392 4.118 0 1 FIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C 587748930 BTOLLYRLGBIIMF-XLFHBGCDSA-N 351.263 4.167 0 1 FIAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587804298 APJJVTXQPMSLIC-BMLIUANNSA-N 350.231 4.220 0 1 FIAF CC(=O)CC[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814907 WRFJWAQQCPBEQJ-PIGZYNQJSA-N 356.279 4.343 0 1 FIAF CCCCCC[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587830175 TVLDMRWFMZZONH-GTNSWQLSSA-N 372.278 4.373 0 1 FIAF CCC1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 587834289 KQCUQHVFLVRHMY-BDJLRTHQSA-N 356.279 4.370 0 1 FIAF Cn1cccc1CN1CCc2sccc2[C@]1(CCC(=O)O)C(C)(C)C 962399455 PYGQMGDMYKAMCA-HXUWFJFHSA-N 360.523 4.251 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cc3ccc(C=O)[nH]3)[nH]2)N1 962945772 GRARRNCLZKRXJP-FATZIPQQSA-N 372.472 4.241 0 1 FIAF CCN(CC)Cc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3o2)cc1 1857775403 QAPQDRDPOUQKFL-UHFFFAOYSA-N 367.445 4.319 0 1 FIAF CO[C@@H]1C=C(CC[C@@]2(C)[C@@H]3CCC=C(C)[C@@]3(C)CC[C@H]2C(=O)O)C(=O)O1 2356733382 RBOVBGSBFUZCEO-ZHPHXZAZSA-N 362.466 4.086 0 1 FIAF COc1ccc(C[C@H]2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)cc1 2382245482 RJQNIMGFQVFICC-RVSNTGDXSA-N 365.517 4.000 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C1=CC=C2C1=CC(=O)OC1 5530029 CJAOKHQEBDVGKO-IXBWIPRKSA-N 354.490 4.330 0 1 FIAF biogenic COc1cccc(C(=O)CCCN2CCN(c3ccc(Cl)cc3)CC2)c1 13804218 SQNAJQXEBGOWSC-UHFFFAOYSA-N 372.896 4.134 0 1 FIAF CCCCCC[S@](=O)C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28018882 DXUUKSQGPDLBMH-PEJDQLJRSA-N 370.555 4.310 0 1 FIAF CCO[C@@H](Cc1cccc(C2=NO[C@@H](c3ccc(Cl)cc3)C2)c1)C(=O)O 40421335 VAXOCQMUSKBFLO-MOPGFXCFSA-N 373.836 4.238 0 1 FIAF CCOc1ccccc1CNc1cc(Oc2ccccc2OC)ncn1 82068336 OYKFNRZBCVRFFY-UHFFFAOYSA-N 351.406 4.288 0 1 FIAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620805 UIWIDYSPPPGYID-IFMALSPDSA-N 360.457 4.288 0 1 FIAF COc1ccc([C@@]2(N3CCN(c4ccccc4)CC3)[C@H]3C[C@H](C)C[C@H]32)cc1 101511255 QGLIHYITOQAXBB-BROAAPDQSA-N 362.517 4.389 0 1 FIAF CN1Cc2ccc(NC(=O)N[C@@H]3CCc4cc(Cl)ccc43)cc2NC1=O 143545330 CEQYHZJEYCRPRY-MRXNPFEDSA-N 370.840 4.126 0 1 FIAF O=S(=O)(c1ccccc1)N1N=C2CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 169299343 ZSNSJUREWIYXSW-HKUYNNGSSA-N 358.438 4.118 0 1 FIAF O=C(C1CCN(c2ccccn2)CC1)N(CC1CC1)c1ccc(Cl)cc1 169303517 SQJJBIUVTQSIJX-UHFFFAOYSA-N 369.896 4.395 0 1 FIAF O=C1O[C@@](CO)(c2ccccc2)CC(O)=C1Sc1ccccc1Cl 299821731 LSIBYFGQKRPQAD-SFHVURJKSA-N 362.834 4.036 0 1 FIAF COc1cncc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc12 587062967 FGIBGBQSHKOLJF-UHFFFAOYSA-N 370.796 4.162 0 1 FIAF COC(=O)c1cc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2cc1OC 587084954 LFXWABNSBYTOSU-UHFFFAOYSA-N 367.792 4.227 0 1 FIAF COC(=O)[C@]1(C)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587098839 VFIRYNKHJDDFLB-XMMPIXPASA-N 371.436 4.423 0 1 FIAF C[C@@]1(c2cccnc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340788 VXIULXURACFUDD-RXVVDRJESA-N 367.351 4.340 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1csc(-c4cccc(F)c4)n1)[C@@H](C2)C3=O 587428494 NJIZJZFLKHMHFH-LIRRHRJNSA-N 367.401 4.447 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3c(C)cccn13)CC2=O 587491458 SJMGDLWZTBZYTC-SFHVURJKSA-N 350.418 4.316 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)COC2 587606508 DLFABTFOQFFDPC-SIKLNZKXSA-N 360.365 4.125 0 1 FIAF CC(=O)C12CC([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)(C1)C2 587815719 PCUVONYUWIYRNE-OXVFACKSSA-N 366.274 4.097 0 1 FIAF Cc1cc2c(cc1F)[C@@H](c1nc3cccc(Br)c3o1)NCC2 962369722 ALNGCCJVWMUYJD-HNNXBMFYSA-N 361.214 4.273 0 1 FIAF COc1ccc2c(c1)[C@]1(N[C@H]3CC[C@H]23)c2ccccc2CC12CCOCC2 962996244 OIPKULRZGIENBW-WNOPAQSVSA-N 361.485 4.141 0 1 FIAF COc1ccc2c(c1)[C@H](c1nc(C)sc1Br)N[C@H]1CC[C@@H]21 962998761 VUGCIFNEWICWCY-FPMFFAJLSA-N 365.296 4.161 0 1 FIAF CCOC(=O)CCCC[C@@]1(c2ccccc2C)NCCc2ccc(O)cc21 963343842 XFZMQDBKGMASMQ-QHCPKHFHSA-N 367.489 4.213 0 1 FIAF CC=CCC=CC=CC=CCCCOC(=O)C[C@@H](C)OC(=O)C[C@@H](C)O 2356381740 XKXAEQCZZGRRAV-RTBURBONSA-N 364.482 4.037 0 1 FIAF CC(C)(C)OC(=O)N1C[C@@H](O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 5714071 YNCJNOIKMJWBMP-GBESFXJTSA-N 355.434 4.055 0 1 FIAF COc1ccc2c(O)c(CCCCc3ccccc3OC)c(=O)oc2c1 13738208 QMEBQZSYMFVDNH-UHFFFAOYSA-N 354.402 4.081 0 1 FIAF COc1ccc([C@H]2SCCN2C(=O)COc2ccccc2)cc1Cl 40764305 QUVHDJDWPPTHTA-GOSISDBHSA-N 363.866 4.002 0 1 FIAF OCCc1cc(Cl)n2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2c1 45316585 BTVZYVFJLRSSCW-UHFFFAOYSA-N 367.811 4.391 0 1 FIAF COc1ccc(CCNc2cc(Oc3cccc(F)c3)ncn2)cc1OC 82067644 QUYLTABHGLSPDE-UHFFFAOYSA-N 369.396 4.080 0 1 FIAF O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1cccc(O)c1 95580621 GNDFIQUTHVHDAI-UHFFFAOYSA-N 368.264 4.000 0 1 FIAF in-vitro O=C(c1ccccc1)c1sc(N2CCCCC2)nc1Br 96907308 RFXKEARBSJCJTR-UHFFFAOYSA-N 351.269 4.127 0 1 FIAF CCC[C@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 100803425 ILZGABAAVFSXBX-KEIZBESESA-N 353.506 4.066 0 1 FIAF CCNc1nc(C)c2cc(-c3cccc(O)c3)c(=O)n(C3CCCC3)c2n1 141096001 KQZCBMVWNBSQGT-UHFFFAOYSA-N 364.449 4.019 0 1 FIAF CC(C)(O)[C@@H]1CC[C@@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)C1 144950085 VHKPSLFBOSSRNO-GDBMZVCRSA-N 370.884 4.401 0 1 FIAF CC(=O)N[C@@H]1CCCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21 205712446 QSVKKSMGGUVPOD-QGZVFWFLSA-N 352.331 4.420 0 1 FIAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1 221611615 JRGRWIMAJDQCPG-UHFFFAOYSA-N 357.388 4.126 0 1 FIAF CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C)cc1 299856569 JYAHPCRLRYMRKZ-UHFFFAOYSA-N 369.417 4.067 0 1 FIAF COc1cccc([C@@H]2CCN(c3ccc(-c4ccncc4)c(OC)c3)C2=O)c1 584630232 TWFDUKHRUBWSII-NRFANRHFSA-N 374.440 4.286 0 1 FIAF COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1F 587080259 ODSWKYTXWAIEJY-ZDUSSCGKSA-N 358.804 4.088 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cc1OC(F)F)[C@@H](C2)C3=O 587424506 ZJHWGVAVAZVUQV-DJJJIMSYSA-N 364.319 4.099 0 1 FIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)cc(Cl)cc12 587506770 LUZXSYFWOAERTB-HXUWFJFHSA-N 371.795 4.171 0 1 FIAF O=Cc1sc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572543 VVDIAOOPSNTYGT-QFBILLFUSA-N 370.357 4.108 0 1 FIAF CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587581488 LLECJLGELYYKQP-RXVVDRJESA-N 364.401 4.010 0 1 FIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)cc1O 587605912 BOHCJRXKLSIGRJ-KNQAVFIVSA-N 362.381 4.418 0 1 FIAF Cc1cc(C)n(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587763321 JGSAZQKXSPXVGZ-BONVTDFDSA-N 366.278 4.067 0 1 FIAF Cc1ccnc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587768901 DOOOMOWBEQOWQE-KZULUSFZSA-N 363.274 4.284 0 1 FIAF CC(C)[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587770611 ATHYORYZTFKNCK-XIKOKIGWSA-N 363.274 4.417 0 1 FIAF CCc1noc(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798768 WBFJNCLNROEPIU-VVVCHXIZSA-N 367.262 4.245 0 1 FIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cncc(Br)c2[nH]1 587929509 KIXUGBZTYILBMK-DIFFPNOSSA-N 358.239 4.174 0 1 FIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587932718 YYSBZALDKMFTLU-SZNDQCEHSA-N 362.408 4.342 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587932815 ZQMDRPPBLVUOPY-ADLMAVQZSA-N 358.344 4.338 0 1 FIAF C[C@@H]1Nc2ccccc2C(=O)[C@@]12NCCc1cccc(-c3ccccc3)c12 962660231 HQLKFSAXBRFTQK-UPCLLVRISA-N 354.453 4.392 0 1 FIAF O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1O 1857610971 CZBCTVRFGLSTDF-UHFFFAOYSA-N 366.398 4.001 0 1 FIAF CCC=CCC=CCC=CCC=CCCCCC(=O)OC(CO)CO 2356751613 WNCUAIVHPMNYAK-UHFFFAOYSA-N 350.499 4.248 0 1 FIAF COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3cccc(O)c3)C2)cc1C 12725762 LYEPYNGDPQCPDC-SFHVURJKSA-N 353.462 4.113 0 3 FIAF CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3C(F)F)CC2)cc1 13553808 RRSHKUSSAKPLOI-UHFFFAOYSA-N 374.435 4.497 0 1 FIAF CC[C@@H](Oc1ccc2ccccc2c1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28112673 WAWMBTQBOWMQGD-CLXQFRTISA-N 353.462 4.166 0 1 FIAF CC(=O)N(CCO[C@H]1CCCCO1)c1ccc(Oc2ccccc2)cc1 29487571 OTUVCFZJUZFVJI-NRFANRHFSA-N 355.434 4.375 0 1 FIAF OC[C@H](Oc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1F 40953698 QVSNHUVUDPEIQK-VXKWHMMOSA-N 351.421 4.097 0 1 FIAF O=c1[nH]c(CNc2cccc(O)c2)nc2c1sc1ccc(Cl)cc12 45286703 RLPCQQSZTQVWAR-UHFFFAOYSA-N 357.822 4.109 0 1 FIAF C[C@H](O)c1c(C(=O)NC2CCCC2)noc1-c1ccc(C(F)(F)F)cc1 72176702 OAWGZJHBKQSLRD-JTQLQIEISA-N 368.355 4.086 0 1 FIAF CCCCCNc1ncnc2c1nc(-c1ccsc1)n2C[C@@H]1CCCO1 82186462 HCWAZHAWCQAKOM-HNNXBMFYSA-N 371.510 4.336 0 1 FIAF CCCS(=O)(=O)Nc1ccc(F)c(-c2ccc3ccncc3c2)c1F 84603597 KJBDABSWCMFHMH-UHFFFAOYSA-N 362.401 4.332 0 1 FIAF CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(SC)S2 96938456 ZNXNWQZXZILWTH-DYVFJYSZSA-N 366.508 4.075 0 1 FIAF CC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccccn2)/C1=C(\O)OC(C)C 100030627 BWBPYGDKCWMPGL-CQGUWYRNSA-N 358.438 4.060 0 1 FIAF Fc1ccccc1CN1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 100101534 DMCJSVFZZZKIRG-UBRQYEGLSA-N 358.460 4.433 0 1 FIAF CC(C)C[C@@H]1C[N+]2=C(NC[C@@H]2C2CCCCC2)N1CC[C@@H]1C[C@@H]2CC[C@@H]1C2 141604255 SGIBUXSDRUUCRC-OKKOYFSCSA-O 372.621 4.464 0 1 FIAF N[C@@H]1CCC[C@H](c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205269798 NCUPLGKFMQIZFI-GOEBONIOSA-N 370.460 4.067 0 1 FIAF CC(C)N(C)c1nc2cc(C(=O)O)c(F)cc2nc1-c1ccc(F)cc1 205428720 LHBDXCMNGSETQR-UHFFFAOYSA-N 357.360 4.118 0 1 FIAF COc1cc([C@H](OC)[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O 238743491 GTPIPDMTEBZKCI-ZMOMAAQPSA-N 358.434 4.332 0 1 FIAF COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CC2)CC1 299856940 DHFMNRHFVSQCPD-UHFFFAOYSA-N 350.890 4.016 0 1 FIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(C)ccc(C)c2[nH]1 586974624 WMPLNSAZCQPQSV-KRWDZBQOSA-N 353.491 4.290 0 1 FIAF Cc1ncsc1CCc1nc2cc(Br)c(C)c(C)c2[nH]1 587026433 FJMWMNPZFBPGOM-UHFFFAOYSA-N 350.285 4.492 0 1 FIAF COc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1F 587081842 HJDSVZJNKBMPRO-UHFFFAOYSA-N 372.787 4.264 0 1 FIAF COC(=O)c1cccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c12 587242675 ZARNXCZGEGHBFL-UHFFFAOYSA-N 351.406 4.001 0 1 FIAF Nc1cc(C(=O)O)ccc1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587248982 DHJCBCHRONWQMK-UHFFFAOYSA-N 373.412 4.013 0 1 FIAF C[C@@]1(CCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350396 HSJMACFEHFJBCA-CTNGQTDRSA-N 372.392 4.294 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCCC3)cc1)O2 587399063 KFJQYYYEYDVKTR-JOCHJYFZSA-N 350.462 4.448 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@H](O)c1cccs1)O2 587411592 DPBQNXWYUWQWKV-RTBURBONSA-N 371.483 4.295 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccsc1Br)[C@@H](C2)C3=O 587453909 VDYYSARJGNDRTF-HZMBPMFUSA-N 351.221 4.008 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C(F)F)nn(C)c1Cl)CC2=O 587466892 PXZGICWTRFIELX-LBPRGKRZSA-N 370.783 4.376 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](Cc1ccncn1)(c1ccccc1)CC2=O 587491100 SBRIENCSAURQDI-HSZRJFAPSA-N 374.440 4.238 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587513849 USJGHUKMKZXAPK-XMSQKQJNSA-N 371.477 4.347 0 1 FIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)n1 587554409 XHABURLOKDMHPH-YLJYHZDGSA-N 367.788 4.452 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccnc2n1 587589185 WBXXGENOHQIECL-RXVVDRJESA-N 370.364 4.038 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncc2cnccc12 587589223 WJJUKSNGAOPPOS-SIKLNZKXSA-N 370.364 4.038 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(cnn3C)c2)N1 587760747 QJSVNGRAZAWXLM-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF CCCC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587815918 RFQGZPQOJZVZCO-ZMZPIMSZSA-N 368.290 4.487 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1CCCO[C@H]1C2(C)C 587840962 LABVDNSERCBRTI-PQNMDKLMSA-N 368.290 4.153 0 1 FIAF CCOC(=O)[C@@H](CC)Cc1ccc(C(=O)NCc2ccccc2C)cc1 653793923 MMWPZEAWMUUIBU-SFHVURJKSA-N 353.462 4.057 0 1 FIAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1nc2ccccc2[nH]1 962691680 AQPCFGOPOADKEI-BFUOFWGJSA-N 353.466 4.155 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC(C)=O)(C(F)(F)C(F)(F)F)N1 962945080 IUAXGMKZIWNQGT-ZBEGNZNMSA-N 374.353 4.464 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnc(F)c(Br)c2)N1 962947493 NPBDKHPZEODFQS-ZBEGNZNMSA-N 374.257 4.478 0 1 FIAF C[C@@]1(CN2CCCCCC2)c2ccsc2CCN1Cc1cccnc1 962997317 LMTPJNNLUJMDQG-OAQYLSRUSA-N 355.551 4.293 0 1 FIAF COc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ccc12 1772575373 UPMPHKHHQWZTLP-UHFFFAOYSA-N 373.412 4.113 0 1 FIAF Cc1ccccc1[C@@]1(O)CC(C(F)(F)F)=NN1C(=O)CC1CCCCC1 1857638478 KXAZQZBTCYDVIZ-SFHVURJKSA-N 368.399 4.261 0 1 FIAF CC[P@@](=O)(OC)c1ccc2nc(-c3cncc(C(F)(F)F)c3)oc2c1 2382232384 ZKWZJXRENRSUAZ-RUZDIDTESA-N 370.267 4.478 0 1 FIAF Fc1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1F 13582766 JDLIQIUDELHLFR-UHFFFAOYSA-N 364.359 4.086 0 1 FIAF COC1(c2cc(F)cc(OCc3ccc4nccnc4c3)c2)CCOCC1 13725462 YRNZYZFLMIOGHD-UHFFFAOYSA-N 368.408 4.000 0 1 FIAF COc1ccc([C@@H](NC(C)C)[C@H](NC(C)C)c2ccc(OC)cc2)cc1 27891388 RTCCSHQGDXNQSQ-FGZHOGPDSA-N 356.510 4.482 0 1 FIAF COc1cc(C(=O)c2ccc3c(ccn3C(C)C)c2)cc(OC)c1OC 28710799 QPJJCLOFFCAQDJ-UHFFFAOYSA-N 353.418 4.479 0 1 FIAF COc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 100620746 IETKKGQMIGSURM-KNQAVFIVSA-N 360.457 4.288 0 1 FIAF COc1ccc(C(O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(OC)cc2)cc1 100834163 UVTIKAPUYIWFDZ-HATOLVCRSA-N 367.489 4.435 0 1 FIAF O=C1[C@H]2[C@@H]3S[C@H](c4cc5ccccc5cc43)[C@H]2C(=O)N1c1ccccc1 105482662 FKHRJQRQRDBPQA-IYWMVGAKSA-N 357.434 4.488 0 1 FIAF N#C[C@@H](c1ccnc(OCc2ccccc2)n1)c1nc2ccccc2s1 116419169 YPLNLOJZEWIBMR-HNNXBMFYSA-N 358.426 4.321 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586897602 GNDMGVGZRXVWJV-UHFFFAOYSA-N 364.426 4.006 0 1 FIAF Oc1c(Br)ccc2[nH]c(-c3ccc(Br)o3)nc12 587007377 JPINFSWPHCUHGZ-UHFFFAOYSA-N 357.989 4.054 0 1 FIAF COC(=O)c1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cn1 587114696 XKFUARZDRRZZNG-JTQLQIEISA-N 363.339 4.110 0 1 FIAF CCOc1cc(/C=C/c2nc3cnc(Cl)[nH]c-3n2)ccc1OC(F)F 587130292 KQBKHTNZFDQFPR-GQCTYLIASA-N 366.755 4.128 0 1 FIAF Oc1c(F)cc(F)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587134017 HXLDIXQGKGFWCB-UHFFFAOYSA-N 361.092 4.254 0 1 FIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)c(Cl)nc2[nH]1 587174266 IKCVEPLEHKQVMA-NSHDSACASA-N 364.211 4.128 0 1 FIAF Cc1cncc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183092 AOQFZGHURGHHGG-WAYWQWQTSA-N 361.186 4.041 0 1 FIAF CC(=O)c1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 587201647 UVYDBQGMEAVRRT-UHFFFAOYSA-N 359.470 4.346 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCC(F)(F)F)c1)O2 587381741 KWUVLRPJZBVWRR-MRXNPFEDSA-N 351.324 4.225 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccnc1N(C)C)CC2=O 587462018 VRKLASTYIHPTQE-MRXNPFEDSA-N 360.841 4.166 0 1 FIAF COC(=O)c1cc(F)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587508071 YJMDXPHWLBHHAZ-LJQANCHMSA-N 354.377 4.198 0 1 FIAF CCN(/C=C(\F)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)CC 587707224 UXTHZYDZJFRCDX-FAUZZRTISA-N 359.258 4.316 0 1 FIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1N 587740400 ATIDTIFIPZOCGF-ZMZPIMSZSA-N 363.274 4.277 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(C)c3ccccc23)N1 587762478 FJIKUQAOBNPNFO-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF Cc1cc(C)n(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587763333 JIXQBZSGXFGVDH-BTDLBPIBSA-N 366.278 4.067 0 1 FIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 587784803 JNTZPRPRMJUAET-MNOVXSKESA-N 362.763 4.438 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ncccc23)N1 587805197 SIVLLDRFANPNKK-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc(C)c1 587869211 CMUJCZGWZDVPAQ-UHFFFAOYSA-N 367.352 4.031 0 1 FIAF Fc1ccc2c(c1)-c1cc(n(-c3nc4cc5c(cc4s3)OCCO5)n1)O2 587875768 IOSTVILTCWIZFH-UHFFFAOYSA-N 367.361 4.165 0 1 FIAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(CCCC23CCCC3)N1 962723107 YJTVMGWKVCQWFE-CRAIPNDOSA-N 371.374 4.383 0 1 FIAF CC[C@]1(c2ccc3c(c2)CCCO3)N[C@H](C)Cc2c(OC)ccc(OC)c21 963576945 BTVQZVXRIDKZDN-IQMFZBJNSA-N 367.489 4.217 0 1 FIAF Cc1ccccc1Nc1cc(C(=O)NC[C@H]2CCCO2)c2ccccc2n1 4910819 CJVOLLKLUUNQPQ-MRXNPFEDSA-N 361.445 4.196 0 3 FIAF NS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(F)c(Cl)c2)cc1 3814662 BRWDKJBTMKFKLU-UHFFFAOYSA-N 361.825 4.461 0 1 FIAF COc1c2c(cc3occ(-c4ccc(O)cc4O)c(=O)c13)OC(C)(C)C=C2 14637756 BSGRPZSPBMNFLD-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF biogenic CSc1ccc(C2=C(c3ccc(O)cc3)C(=O)N3CCC[C@H]3C2)cc1 29402217 DFKFVKMDCKFSRB-INIZCTEOSA-N 351.471 4.420 0 1 FIAF COc1ccc(Cl)c(C[C@H]2c3cc(O)c(Cl)cc3CCN2C)c1 45228782 CIZJWUMBIRRKGW-KRWDZBQOSA-N 352.261 4.479 0 1 FIAF O=C(N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1ccc(F)cc1 45230800 BXADHEWMWDHLJJ-INIZCTEOSA-N 369.827 4.036 0 1 FIAF O=C(NCCSCc1cc(O)cc(O)c1)c1c(Cl)cccc1Cl 49802451 OIGIEVJPXNEIGP-UHFFFAOYSA-N 372.273 4.068 0 1 FIAF CC[C@@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2ccc(F)cc2)n1 82141003 MMLBDJPDRHTESM-CQSZACIVSA-N 356.445 4.119 0 1 FIAF CCOc1cccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c1 96172862 HNEVRWHVLKDPLA-MRXNPFEDSA-N 353.462 4.436 0 1 FIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccsc2)C2=C(O)CCCC2=N1 100639916 JLKRBWJEVMIQHP-RDTXWAMCSA-N 373.474 4.279 0 1 FIAF O=S(=O)(/N=c1\ssc(-c2ccccc2)c1Cl)c1ccccc1 102877733 OZPZLOMLAOHJTJ-ICFOKQHNSA-N 367.904 4.420 0 1 FIAF O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@@H](Oc2ccc(F)cc2)C1 103251176 CSSXFCMIJIHVOO-CQSZACIVSA-N 369.314 4.200 0 1 FIAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)[C@@H]3CCN(C)C3)ncc2c1 144406699 DDEDFLHHJSCFHE-QGZVFWFLSA-N 363.436 4.240 0 1 FIAF Cc1c(Cc2c(Cl)cccc2Cl)c(=O)[nH]c2cc(O)cc(O)c12 144697818 MJHXUWHDBZZZTM-UHFFFAOYSA-N 350.201 4.145 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)C[C@@]3(c4ccoc4)OC[C@@]14C(C)=CCC[C@]42O3 238777407 FZQSAOXOUTXHTL-ZEHFKZIESA-N 372.461 4.326 0 1 FIAF CCc1ccnc(-c2nccn2Cc2nnc(-c3ccc(Cl)cc3)o2)c1 473088716 JNADPVNIKKHRON-UHFFFAOYSA-N 365.824 4.259 0 1 FIAF Cc1cc(C)cc(C(=O)Nc2ccc(C)c(NC(=O)c3cnoc3C)c2)c1 473248547 OOKRSTBFXUBXJJ-UHFFFAOYSA-N 363.417 4.413 0 1 FIAF COC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccsc3)nc2c1 587024721 AYFXHUGTVSPRNV-IHWYPQMZSA-N 363.236 4.344 0 1 FIAF O=C(O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133752 BQRABRZTZJZAOU-DUXPYHPUSA-N 354.234 4.127 0 1 FIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)cnc3[nH]2)c1F 587153164 WPZLVPWVXXAVOD-UWVGGRQHSA-N 350.166 4.270 0 1 FIAF N[C@@H](N=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587164141 XBAMNFUCGFMANS-FQEVSTJZSA-N 374.375 4.324 0 1 FIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1OC 587250200 JSFMGWQEMFRNMA-UHFFFAOYSA-N 373.412 4.274 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccsc1)(c1ccsc1)O2 587415176 YBYRCVCPVVJTCT-LJQANCHMSA-N 369.467 4.444 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3cccn3)cc1)CC2=O 587475492 MJZYHAYIDBDKFQ-NRFANRHFSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@H]([C@@](C)(O)C[C@H]1C[C@H]3CC[C@H]1C3)CC2=O 587488533 KMGYCGBLJUWSER-RCGQHQCQSA-N 358.478 4.256 0 1 FIAF C[C@@]1([C@H]2Cc3ccccc3C(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587530470 CFILIUMPEAMMNY-OFNKIYASSA-N 362.425 4.071 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccc(O)cc12 587586097 BBXAAZQORTWFPC-SIKLNZKXSA-N 373.364 4.282 0 1 FIAF Cc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587588112 OYTUMROLCMDKEE-QUCCMNQESA-N 361.397 4.059 0 1 FIAF COC(=O)Cc1ccccc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587783313 NLQWKISJYUEHKR-UHFFFAOYSA-N 370.408 4.176 0 1 FIAF COc1ccc(C=O)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1OC 587787154 PZVMIDSWOMMVNF-UHFFFAOYSA-N 351.189 4.366 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccccc2)N1 587796680 UKKSVZGSUFUTLW-KPZWWZAWSA-N 364.258 4.417 0 1 FIAF Cc1cc(O)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587835727 XRZPBCIIPCKFMC-DYZYQPBXSA-N 350.231 4.226 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@H](C(C)(C)Sc3ccccc3)c3cccc1c32 963027386 PZOCNASCBSQORY-VLIAUNLRSA-N 352.503 4.352 0 1 FIAF CC[C@]1(c2ccc(Cl)c(N)c2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963581766 OUYOUACBFWYSQQ-FKIZINRSSA-N 360.885 4.127 0 1 FIAF COc1cc2c(cc1OC)C(=O)[C@@H](C[C@@H]1CCCN1Cc1ccccc1)C2 1772602231 QFOQWGITGJMMIG-MOPGFXCFSA-N 365.473 4.114 0 1 FIAF C[C@@H](c1ccc(C(=O)NCCOC2CCCCC2)cc1)N1CCCCC1 1911573772 AHOROIDQESIFCB-SFHVURJKSA-N 358.526 4.313 0 1 FIAF NCc1ccc(-n2cc(-c3ccc4cc[nH]c4c3)c(C(F)(F)F)n2)cc1 1911580516 NWDBVLSETFMUHX-UHFFFAOYSA-N 356.351 4.498 0 1 FIAF Cc1ccc(CN(C[C@@H](O)COc2cccc3[nH]ccc23)C(C)C)cc1 2382241342 DATIIRCDEAONFX-LJQANCHMSA-N 352.478 4.127 0 1 FIAF N[C@H](c1csc(Nc2nccc(C(F)(F)F)n2)n1)C1CCCCC1 61905614 DEWPVJWTVLAENP-LBPRGKRZSA-N 357.405 4.276 0 3 FIAF CCCCNC(=O)c1nc2cc(C)c(C)cc2nc1-c1cccc(OC)c1 206051748 NXDZNIKNZBLHMW-UHFFFAOYSA-N 363.461 4.452 0 3 FIAF O=S(=O)(NC1CCCCCC1)c1ccc2[nH]c(-c3ccccc3)nc2c1 2467943 DZMHGLCWWGJGCR-UHFFFAOYSA-N 369.490 4.231 0 1 FIAF CCCN1CCC[C@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 11879529 CRMRGGMENDBTAY-SFHVURJKSA-N 352.478 4.423 0 1 FIAF CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@H](OC(=O)c2ccccc2O)C1 14956368 KVBYAXSJSBEUHY-KIZRIRGWSA-N 358.478 4.461 0 1 FIAF biogenic O=C1C(=O)N(Cc2cc3ccccc3s2)c2c(Br)cccc21 28465712 UFOWXDUBQLPEOX-UHFFFAOYSA-N 372.243 4.393 0 1 FIAF COc1ccc2c(C(=O)c3nccc4c3[nH]c3ccccc34)c(O)[nH]c2c1 73295367 KTOHBGJWOKYCIT-UHFFFAOYSA-N 357.369 4.143 0 1 FIAF biogenic O[C@@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185061 LEBXHMQTGORPIS-HATOLVCRSA-N 350.437 4.322 0 1 FIAF C[C@H](COc1ccccc1F)NC(=O)[C@]1(C(F)(F)F)C[C@@](C)(Cl)C1 103204390 QHHDVXLBHHBKLP-KMUNFCNLSA-N 367.770 4.049 0 1 FIAF CC(=O)c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2CCN(C)C 299825297 BQNRORLCRZURDR-UHFFFAOYSA-N 355.869 4.045 0 1 FIAF CCCOc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Br 586917964 VJOHNNFPVWWTAP-UHFFFAOYSA-N 351.244 4.008 0 1 FIAF CCc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1Br 586977364 MBCIOECLTBVBGA-UHFFFAOYSA-N 371.160 4.315 0 1 FIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587038911 CEEQUDLTHGULDF-HNNXBMFYSA-N 359.495 4.424 0 1 FIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587071057 VNBGWJSAEMVAQP-SECBINFHSA-N 355.656 4.203 0 1 FIAF COc1nccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587121764 GLYDOCOGGRCULS-UHFFFAOYSA-N 369.368 4.299 0 1 FIAF CO[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357108 SOFXXUNJESCSNM-SVFBPWRDSA-N 356.393 4.218 0 1 FIAF COc1ccc(Br)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587378206 SMAUMCCWAYFUSP-MRXNPFEDSA-N 362.223 4.055 0 1 FIAF Cc1ccc([C@@]2(CCCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587406017 CPRYKNCTJYQUDG-JOCHJYFZSA-N 367.445 4.391 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587419662 HSBDHBZGRMAHRY-HNAYVOBHSA-N 362.347 4.463 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4n1CC(C)C)[C@@H](C2)C3=O 587433241 WSTJNBOGHDFBKC-YCRPNKLZSA-N 362.429 4.190 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4ccc(N)cc41)[C@@H](C2)C3=O 587434312 SQVYMOBBGBKJAV-GAJHUEQPSA-N 371.392 4.074 0 1 FIAF COc1cc2c3c(c1)OC1(c4ccccc4Oc4ccccc41)[C@@H](C2)C3=O 587453868 PURWANBOGZFCNW-KRWDZBQOSA-N 356.377 4.492 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c(OC)c1)CC2=O 587482537 UHAJRHIXEWQCSV-LJQANCHMSA-N 356.418 4.459 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1nccs1)CC2=O 587495701 PXJVAAXAMJBWGT-KRWDZBQOSA-N 354.431 4.298 0 1 FIAF O=C1C[C@]2(CCCn3c(O)nc4cccc2c43)Oc2c1ccc1c2CCCC1 587525527 MSIMEIVAYJZVFE-QHCPKHFHSA-N 374.440 4.275 0 1 FIAF O=C1C[C@@H](c2csc(-c3ncccn3)n2)Oc2c1ccc1c2CCCC1 587534001 ADTWLKNLVBZQNA-KRWDZBQOSA-N 363.442 4.185 0 1 FIAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 587552491 RVEVGTAVQHQJOF-QFBILLFUSA-N 367.788 4.452 0 1 FIAF COC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCCC1 587600197 MUBRKBXCYPACJX-PXNSSMCTSA-N 354.402 4.072 0 1 FIAF CCc1csc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587614774 UEUOWIBCNAIZLJ-QAPCUYQASA-N 353.399 4.114 0 1 FIAF OCCc1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587783143 YAVRHOGMAYUSET-UHFFFAOYSA-N 360.413 4.049 0 1 FIAF COc1ccc(C=O)c(-c2nc3c(Cl)cc(Cl)cc3[nH]2)c1OC 587787276 UMFLLYAGSSMSOA-UHFFFAOYSA-N 351.189 4.366 0 1 FIAF Cc1ccccc1C(=O)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587816114 UNYZXUGWLCPFLV-PIGZYNQJSA-N 362.242 4.355 0 1 FIAF COc1ccc(C)cc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867766 AALJIDSAAWBQAH-UHFFFAOYSA-N 363.339 4.279 0 1 FIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587953107 ZMYUCABPBIXCOU-XNJGSVPQSA-N 350.484 4.013 0 1 FIAF O=C1CCC(c2ccccc2)(c2nc3ccc(Br)nc3[nH]2)CC1 587970201 DCTGHENVXUYRET-UHFFFAOYSA-N 370.250 4.150 0 1 FIAF CCOc1ccc(Nc2nnc(Cn3c(C)nc4ccccc43)s2)cc1 653840720 SIHNEQURLOYXNS-UHFFFAOYSA-N 365.462 4.387 0 1 FIAF Fc1cccc2c1[C@H](c1cnc(NCc3ccccc3)nc1)N1CCC[C@H]1C2 963102447 MSBPTLQPPHFHRC-UGKGYDQZSA-N 374.463 4.338 0 1 FIAF C[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccco3)=NN2C1=O 1857643807 QUKRSZPVALXQPI-ISVAXAHUSA-N 351.189 4.045 0 1 FIAF CC1(C)[C@H](O)CC[C@]2(C)[C@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@]12O 2356448828 QJRNEHJGTLWRJJ-QDVLSIKVSA-N 353.506 4.310 0 1 FIAF COc1cc2c(cc1OC)[C@@H]1[C@@H](CO2)Oc2c(ccc3occc23)[C@@H]1OC 2356684069 LGJWBTKCQLVCIA-SBHAEUEKSA-N 368.385 4.075 0 1 FIAF CC(C)NC(=O)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61904106 QKXDTSWALYJVIA-NRFANRHFSA-N 374.440 4.369 0 3 FIAF COc1ccccc1-c1csc([C@H](NC(C)=O)c2ccc(F)c(F)c2)n1 61925630 SFTCPYYJJVJWRG-GOSISDBHSA-N 374.412 4.322 0 3 FIAF C[C@H](CCc1nnn[nH]1)Cc1ccc(OCc2ccc3ccccc3n2)cc1 3784920 POSUQRXFCPPYHP-MRXNPFEDSA-N 373.460 4.138 0 1 FIAF COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@@]12Cc1cc(C)c(C)cc1C2=O 5539740 WFCIEHWRWGAYKK-AVRDEDQJSA-N 362.429 4.126 0 1 FIAF CC[C@@H](C)C[C@@H](C)C1=Cc2cc3c(c(O)c2CO1)C(=O)C(=O)C(OC)=C3 5922211 BRHYSVIYRNFZEB-VXGBXAGGSA-N 356.418 4.088 0 1 FIAF biogenic Clc1cccc(Nc2ncnc3c2nnn3Cc2ccccc2Cl)c1 13778531 ROPRQJRHSCZENP-UHFFFAOYSA-N 371.231 4.320 0 1 FIAF CS(=O)(=O)Nc1ccc2c(c1)N(Cc1ccccc1)Cc1ccccc1-2 26295434 GTBVKXCHOZCHEY-UHFFFAOYSA-N 364.470 4.245 0 1 FIAF O=C(NCc1c[nH]c2ccccc12)N1[C@@H](Cc2ccccc2)[C@H]2CC[C@@H]1C2 27107582 UENKSTZFYXQHBC-KPLVRAHFSA-N 359.473 4.473 0 1 FIAF CCCCn1c(=O)c2nc(-c3ccc(OC)cc3)n(C)c2c2ccccc21 27326620 ZDSWKMOICVNQBD-UHFFFAOYSA-N 361.445 4.364 0 1 FIAF Cc1cccc(-c2nc(NCC3CC3)ncc2C(=O)N2CCC(C)CC2)c1 82145921 WKPOVRAWPGUUBD-UHFFFAOYSA-N 364.493 4.146 0 1 FIAF CCCCCN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C)cc1 84604374 XIFFCFUFRBQKAG-UHFFFAOYSA-N 361.463 4.079 0 1 FIAF CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2cccnc2)/C1=C(\O)OC(C)C 100030632 OPOVKZABKQBLKA-BDBAMQCISA-N 358.438 4.060 0 1 FIAF CCCCCC[S@@](=O)C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101364303 DXUUKSQGPDLBMH-RQLAFXCFSA-N 370.555 4.310 0 1 FIAF Cc1nc(NCc2ccc(Cl)cc2)nc(C(F)(F)C(F)(F)F)n1 103290394 XLVJHWMVEUSZCG-UHFFFAOYSA-N 352.694 4.100 0 1 FIAF Nc1nccn2c1c(-c1ccc(Oc3ccccc3)cc1)nc2[C@H]1C[C@@H](O)C1 261166384 SAFIVUCEBPHLEO-IYBDPMFKSA-N 372.428 4.009 0 1 FIAF CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 299813000 MDJRZSNPHZEMJH-ZRTLTGBQSA-N 374.521 4.059 0 1 FIAF Nc1ccnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 587040736 PELMDSSSJXAJMN-UHFFFAOYSA-N 359.458 4.386 0 1 FIAF N=C(N)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083510 XOHSUGXLLMOIQR-UHFFFAOYSA-N 356.216 4.369 0 1 FIAF COC(=O)C[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H]1C 587107555 USMOFLNVTNQAQI-QWHCGFSZSA-N 357.409 4.285 0 1 FIAF CC(=O)c1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1 587241962 MBPYMVQMWHGMCW-UHFFFAOYSA-N 367.405 4.485 0 1 FIAF CC(C)N1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587344324 NJFRWYLPZKMONO-UNMCSNQZSA-N 369.436 4.133 0 1 FIAF Cn1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587345195 YRSJYIXQQBXHJK-FPOVZHCZSA-N 351.377 4.144 0 1 FIAF COc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403653 PIDJWNXYBCHZLO-HSZRJFAPSA-N 359.425 4.495 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccsc1)([C@H](O)c1ccsc1)O2 587412560 JCSDVWKKRLVYPO-MOPGFXCFSA-N 371.483 4.295 0 1 FIAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587417343 CEGKMRPHWXXZHS-KSALOMHHSA-N 369.848 4.067 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccccc1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587442411 WNNMKNANCIZZSH-OXJNMPFZSA-N 366.413 4.139 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cccc(C(=O)O)c13)CC2=O 587487159 VKIHRROARZBQFY-GOSISDBHSA-N 365.385 4.231 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1csc(Br)n1)CC2=O 587493758 HQXXJILOBOGGPW-ZDUSSCGKSA-N 368.252 4.270 0 1 FIAF Cc1nc2ccccn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585165 BNCKOZKQBDLDKF-GCJKJVERSA-N 372.380 4.051 0 1 FIAF Cc1ccnc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587593040 ZZDIAXYQFAEVDW-RXVVDRJESA-N 372.380 4.280 0 1 FIAF C[C@]1(c2cccc3c[nH]nc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594059 KCARWGOQTQQFOV-PGRDOPGGSA-N 372.380 4.146 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c(O)cccc12 587611367 SNWOYVVGUZOFIX-OFNKIYASSA-N 374.392 4.291 0 1 FIAF OCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(F)cc1 587622449 NHFHMEDJOQCDEH-UHFFFAOYSA-N 360.186 4.105 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2F)N1 587715529 CTWJYSBTXFHVDB-VPTHRUTESA-N 356.185 4.490 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCCCCC2)N1 587764687 GTUISCBUOFMPCP-UGSOOPFHSA-N 369.322 4.214 0 1 FIAF CO[C@@H]1[C@H](C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587813680 WMIVRASCHXBQPQ-CWWXITJESA-N 356.279 4.009 0 1 FIAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587823297 TTYANZQNAOCAEV-ADLMAVQZSA-N 364.258 4.400 0 1 FIAF COc1ccc(F)c(F)c1[C@H]1c2cccc(Br)c2CCN1C 963269274 HLQCWKXIEBMUFK-QGZVFWFLSA-N 368.221 4.313 0 1 FIAF FC(F)(F)c1ccccc1C[C@@]1(COc2cccnc2)CCCNC1 1857551802 GNMADJPFYRDSMM-SFHVURJKSA-N 350.384 4.092 0 1 FIAF CC[C@@H](C1CCOCC1)n1c(-c2cc(C)c(=O)n(C)c2)nc2ccccc21 1857558405 YEBXPHVMHGJWDW-IBGZPJMESA-N 365.477 4.088 0 1 FIAF O=c1c2sc(SCc3ccccc3)nc2ncn1-c1ccc(F)cc1 1857599139 SOMHAHPUQSOVCL-UHFFFAOYSA-N 369.446 4.274 0 1 FIAF CC(=O)OCC=C(C)CC[C@H]1[C@@]2(C)CCC[C@](C)(CO)[C@H]2CC[C@@]1(C)O 2356543490 SUHBMXFJOWKXEV-OQEHDIDLSA-N 366.542 4.242 0 1 FIAF CC(C)=CCc1c(O)c(C(=O)c2ccccc2)cc2c1O[C@@H](C(C)(C)O)C2 2356727432 NOIJRZIUXHBWOG-LJQANCHMSA-N 366.457 4.206 0 1 FIAF COc1ccc(CN[C@@H]2CCCc3nc4ccccc4c(N)c32)cc1OC 1913925 DVQIKJRHVGMJOG-QGZVFWFLSA-N 363.461 4.001 0 1 FIAF CC(C)CC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 3660395 JXPFPDKWEPPJLC-HXUWFJFHSA-N 356.853 4.256 0 1 FIAF CC1(C)C=Cc2c(cc3occ(-c4ccc5c(c4)OCO5)c(=O)c3c2O)O1 6050187 KGSSUTVUTPLSQW-UHFFFAOYSA-N 364.353 4.079 0 1 FIAF biogenic,in-vitro CC1(C)C=Cc2c(cc(O)c3c(=O)c(-c4ccc5c(c4)OCO5)coc23)O1 13382710 XLRBYZGRJYOZSC-UHFFFAOYSA-N 364.353 4.079 0 1 FIAF biogenic Nc1ccnc(NCCCCCCCCCCNc2cc(N)ccn2)c1 13740386 YIMZPOJPCFNUTJ-UHFFFAOYSA-N 356.518 4.286 0 1 FIAF COc1c(O)c2c(c(O)c1C(=O)CCc1ccccc1)C=CC(C)(C)O2 15216714 LJNJHJBBLPMBSN-UHFFFAOYSA-N 354.402 4.106 0 1 FIAF biogenic Oc1ccc(-c2cc(-c3ccccc3)nc(NCCCn3ccnc3)n2)cc1 28530698 LLBGWGAGOKJWSH-UHFFFAOYSA-N 371.444 4.215 0 1 FIAF O=C(CCc1ccccc1)N1CCC2(CCc3cc(F)ccc3O2)CC1 40834265 DZCNPAGZPPBTBP-UHFFFAOYSA-N 353.437 4.145 0 1 FIAF CC(C)=CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1O 45338659 JRJSIOXWBFETPQ-UHFFFAOYSA-N 350.370 4.403 0 1 FIAF O=c1c(CNCCCCCO)coc2cccc(OCC3CCCCC3)c12 53312823 IYXRTWTVFKAXLD-UHFFFAOYSA-N 373.493 4.004 0 1 FIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3cccc(Cl)c3)ccc12 96905957 ZOPACAHOBMMSPB-IBGZPJMESA-N 370.861 4.269 0 1 FIAF CC[C@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 101769538 BQLQSIRUAFRJJC-JDGBCZCZSA-N 367.533 4.369 0 1 FIAF CCCCN(CCCC)CCn1cnc2c3ccc(OC)cc3nc-2c1O 103533904 DHNLRCICEFSSFL-UHFFFAOYSA-N 370.497 4.153 0 1 FIAF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2ccc(C)o2)C[C@H]1C 104107142 GHRDEVMKZMPGFZ-BAXPTACRSA-N 366.417 4.468 0 1 FIAF CC(C)c1ccc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)cc1 147887680 POIJPYMIDFHWHV-UHFFFAOYSA-N 361.445 4.151 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cnc3ccccc3c2[nH]1 586916696 NKUFRALHQOMMDP-KSFYIVLOSA-N 357.413 4.328 0 1 FIAF CCCCS(=O)(=O)N[C@@H](c1nc2cccc(C(C)(C)C)c2[nH]1)C(C)C 586933795 XPJMEZGAVPKXFI-MRXNPFEDSA-N 365.543 4.277 0 1 FIAF Cc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1F 587014305 PBBPDXJFWUIQJR-UHFFFAOYSA-N 362.430 4.159 0 1 FIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 587049511 QKHIHNBLROFUHD-UHFFFAOYSA-N 371.824 4.249 0 1 FIAF COc1cncc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)c1 587105539 CTRIHNYIODSCKP-UHFFFAOYSA-N 352.393 4.441 0 1 FIAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc4ncccc4c3[nH]2)n1 587119723 VETAIYTUWBGPIR-UHFFFAOYSA-N 357.339 4.252 0 1 FIAF COC(=O)c1cccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 587132757 GVODGMASBPJOIM-UHFFFAOYSA-N 367.163 4.026 0 1 FIAF NC1CCC(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 587256296 DVFASBGXHWXDDV-UHFFFAOYSA-N 362.193 4.329 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(COC)c1)CC2=O 587481738 RXYYVHGRUNYOIX-JOCHJYFZSA-N 370.445 4.380 0 1 FIAF CN(C)c1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535043 HRDNOSPZQWAEAG-AWEZNQCLSA-N 362.882 4.448 0 1 FIAF CCc1cnccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585760 HTEKZHIDQQWFFS-KNQAVFIVSA-N 361.397 4.227 0 1 FIAF Cc1[nH]c2ncccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589354 ODBJCOBZWXWBOP-RXVVDRJESA-N 372.380 4.280 0 1 FIAF C[C@]1(c2cccc3[nH]ncc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592875 IAGZZRKBJADJHH-SIKLNZKXSA-N 372.380 4.146 0 1 FIAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587718576 NKUNINJRVNLJRI-HUTHGQBESA-N 368.221 4.360 0 1 FIAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587719040 OQISJCUZZNKRFA-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccncc3[nH]2)N1 587800555 BQHWLTRCISUGLH-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(C)(C)CCC(=O)O)N1 587828735 PNMRJRNDJMTOET-BMLIUANNSA-N 372.278 4.229 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cncc2ccccc12 587870912 VBFFHBXGTNRRNI-UHFFFAOYSA-N 361.376 4.325 0 1 FIAF CC[C@@]1(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)CC(=O)c2ccccc2C1 587959770 HTHRQLZLDNYVMS-NRFANRHFSA-N 366.392 4.168 0 1 FIAF O=C(O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1CCCC2 653721446 ZVSLAYRBVHTDIM-UHFFFAOYSA-N 350.440 4.273 0 1 FIAF O=C(O)C/C=C(\NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 957626653 GHVKPBNZFIVUMH-MLPAPPSSSA-N 371.746 4.186 0 1 FIAF COc1ccc2c(c1OC)[C@@H](c1c(F)ccc(F)c1F)N(C)[C@@H](C)C2 962618129 BPEHTOBUHDXWHG-YPMLDQLKSA-N 351.368 4.087 0 1 FIAF COc1ccc2c(c1)nc(O)n2C1CCN(Cc2ccccc2Cl)CC1 1857753562 MNEHATVLXOIGJP-UHFFFAOYSA-N 371.868 4.241 0 1 FIAF COc1cc2[nH]c(=S)n([C@@H]3CCCc4ccccc43)c(=O)c2cc1OC 2974260 YVQBWZODVNNESY-MRXNPFEDSA-N 368.458 4.002 0 1 FIAF O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H](C(=O)n2cccc2)C[C@@H]2CCCC[C@@H]21 13756487 MASOCVYRNDTIKP-WHZJULEDSA-N 362.473 4.092 0 1 FIAF CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1CC(=O)NC1CCCCC1 25429436 BYCCHNRJBJTSNX-SJLPKXTDSA-N 374.500 4.153 0 1 FIAF biogenic COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)CCS2)cc1O 26403661 HQPCUXVHWJFLED-UHFFFAOYSA-N 374.458 4.432 0 1 FIAF Cn1c2c(c3cc(F)ccc31)CN(CCC[C@H](O)c1ccc(F)cc1)CC2 27741540 VFCYXLTXIUQPDD-QFIPXVFZSA-N 370.443 4.328 0 1 FIAF Cc1[nH]c(C)c(C(=O)OC2CCN(C/C=C/c3ccccc3)CC2)c1C 29327436 LUOHACZYGRWTJL-JXMROGBWSA-N 352.478 4.275 0 1 FIAF O=C(NN1CCc2ccccc2C1)Oc1ccc(Cc2ccccc2)cc1 29470806 HAJCLASHJZNQGN-UHFFFAOYSA-N 358.441 4.339 0 1 FIAF COc1cc(NC[C@](C)(O)N(CC(C)C)CC(C)C)c2nc(C)ccc2c1 45394411 DCLRNYUNFAFVPD-QFIPXVFZSA-N 373.541 4.286 0 1 FIAF CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2cccnc2Cl)c1 68206945 YDTLVCLHQUJXFS-UHFFFAOYSA-N 364.836 4.363 0 1 FIAF Fc1ccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 95572648 WQGAECUADIXDKK-UHFFFAOYSA-N 363.421 4.156 0 1 FIAF CC[C@H](C)Nc1c(-c2c(F)cc(F)cc2F)c(F)nc2nccnc12 103171119 LESPWCHSBKLAIY-QMMMGPOBSA-N 350.319 4.459 0 1 FIAF O=C(Nc1ccccc1Cl)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 115623165 WGQKFXUHJQJPEO-SFHVURJKSA-N 370.861 4.446 0 1 FIAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cccc(C(N)=O)c2)n1 143136251 HFPGQQNVQMFYQV-LJQANCHMSA-N 358.445 4.040 0 1 FIAF C=C1CC[C@@H]2CCC3=C(C(=O)[C@H](C3=O)C(C)=C[C@@H](OC(C)=O)C1)C2(C)C 253761252 VJHLWHCWWJFDGL-RYRKJORJSA-N 356.462 4.105 0 1 FIAF CCOC(=O)[C@@H](CC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989395 HJNLJIZEWXCOTO-LBPRGKRZSA-N 361.397 4.209 0 1 FIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccnc3[nH]1)N2 587031072 LLYIABDPIKJOBB-BZPKPHBRSA-N 371.491 4.085 0 1 FIAF CCc1cc(OCc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)ccc1Cl 587053001 XYJZSPNSHJQPOU-UHFFFAOYSA-N 374.824 4.153 0 1 FIAF Cc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1C 587118371 MEXWQVLLDVLVSX-UHFFFAOYSA-N 361.327 4.098 0 1 FIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(F)c(Br)c2[nH]1 587162791 DICYNOFFEOHRAR-HNNXBMFYSA-N 366.209 4.255 0 1 FIAF N[C@@H](N=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195012 AQLDWALIICVZRY-QFIPXVFZSA-N 371.444 4.493 0 1 FIAF Cc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1C 587196640 ANZYDYOOSBFKFO-OAHLLOKOSA-N 359.470 4.096 0 1 FIAF CO[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352999 KNRYTGRCPAJTJP-LKUPVBHCSA-N 356.393 4.218 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c4cccnc14)[C@@H](C2)C3=O 587422386 PIDNXXBHESYMHA-XOBRGWDASA-N 351.789 4.386 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(OC)cc1O)CC2=O 587460003 KIBIDAUVMYSBMO-QGZVFWFLSA-N 362.809 4.419 0 1 FIAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3c(C)nn(C)c3C)c2c1 587643439 UJPXUTOASSKRGH-LLVKDONJSA-N 367.449 4.049 0 1 FIAF Cc1ccnc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587772918 PSNVOFSDJKSWAI-KPZWWZAWSA-N 363.274 4.284 0 1 FIAF C=Cc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587792530 OQGPVYGAQZTWCD-XYZCENFISA-N 364.262 4.060 0 1 FIAF CCC[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587817191 JJCLRBWPYIEOIF-FMTVUPSXSA-N 368.290 4.487 0 1 FIAF CCc1cc(O)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587830584 DONHWNAXPLLHJX-YPMLDQLKSA-N 364.258 4.480 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2sccc2cn1 587873287 XGWOPFCZEGLVRT-UHFFFAOYSA-N 367.405 4.386 0 1 FIAF Cc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1F 587923924 SCNQNACWJWAMOX-UHFFFAOYSA-N 362.451 4.296 0 1 FIAF CC(C)NC[C@@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961775220 IYGNGFCSBZMBSW-QFIPXVFZSA-N 373.541 4.051 0 1 FIAF Cc1sc2c(c1C)CCN[C@@]21CN(Cc2ccccc2)C[C@H](C)[C@@H]1C 963018495 GFWGBNGGPOLHBJ-GIMINZRKSA-N 354.563 4.494 0 1 FIAF C[C@@]1(CC(=O)Nc2ccccc2F)c2c(F)cccc2C[C@H]2CCCN21 963105506 MRGTWYLHIPVWBJ-QVKFZJNVSA-N 356.416 4.229 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1nc2cc(F)ccc2s1 963609168 MJMZAYYFPLSVEO-YPMLDQLKSA-N 358.438 4.076 0 1 FIAF C/C=C(/C=C/c1ccc(OC)c(N)c1)c1cc(OC)c(OC)c(OC)c1 1772626803 NOBWBSDVGPMGMB-ZAVIEZKBSA-N 355.434 4.420 0 1 FIAF CC(C)=CCc1ccc(C2=C(O)C(=Cc3ccc(O)cc3)OC2=O)cc1O 2356389577 ZTGDSDBTYUOLEK-UHFFFAOYSA-N 364.397 4.474 0 1 FIAF C=CC(=C[C@]1(C)CCCC(C)(C)C1)[C@@H]1[C@H]2OC(=O)C[C@H]1[C@H](OC(C)=O)O2 2356466455 GXSYTMVMFKTOPV-FSZSSBBTSA-N 362.466 4.130 0 1 FIAF CC(=O)Nc1ccc(Cc2c(C)cc(OCC(=O)O)cc2C)cc1C(C)C 2382241655 GZHDROJXCQEXMK-UHFFFAOYSA-N 369.461 4.439 0 1 FIAF CC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N21 36384209 SBUXRMKDJWEXRL-ROUUACIJSA-N 363.392 4.152 0 3 FIAF biogenic CCc1cc(OCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5887496 JHNQBENUDYQIPG-UHFFFAOYSA-N 353.205 4.273 0 1 FIAF O=S(=O)(c1ccccc1)c1c(-c2ncc[nH]2)[nH]c2ccc(Cl)cc12 5974648 GWNVZICSCAVKDH-UHFFFAOYSA-N 357.822 4.044 0 1 FIAF Cc1cc(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(C)c(C)n1 13826884 BOLGXKCIKRIVNY-UHFFFAOYSA-N 371.444 4.433 0 1 FIAF Cc1ccsc1CN1CCc2nc(Nc3ccc(F)cc3F)ncc2C1 21639562 NUUTYZSSHOWPCU-UHFFFAOYSA-N 372.444 4.427 0 1 FIAF c1ccc2c(c1)[C@@H]1CC(c3cncs3)(c3cncs3)[C@H]2c2cccc[n+]21 26649954 KZMYFKPKBGNIGS-FXAWDEMLSA-N 374.514 4.312 0 1 FIAF CC[C@@H]1c2ccc(OC)c(OC)c2CN2CCc3cc4c(cc3[C@H]12)OCO4 39009223 OMQVKHLKFUWFAR-SZNDQCEHSA-N 367.445 4.039 0 1 FIAF COc1cc(C(=O)c2csc(-c3ccc(C)cc3)n2)cc(OC)c1OC 40425419 ROYIPIXFQBIZPN-UHFFFAOYSA-N 369.442 4.375 0 1 FIAF O=C(O)C[C@H]1C[C@@H](F)CN1CCC=C(c1ccccc1)c1ccccc1 45352505 DWHSMAKOIPCVNH-WOJBJXKFSA-N 353.437 4.396 0 1 FIAF Cc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)cc1 53226436 RAOCKIXJWYDYCO-WQRHYEAKSA-N 358.401 4.460 0 1 FIAF CO[C@H]1CCCN(C2CCN(c3cccc(-c4csc(C)n4)c3)CC2)C1 63871749 NECMMYGAQPLCBZ-FQEVSTJZSA-N 371.550 4.198 0 1 FIAF Brc1cccc(CNCCCNc2nc3ccccc3o2)c1 84635883 DIVIBLMIBAMPAV-UHFFFAOYSA-N 360.255 4.182 0 1 FIAF CCOC(=O)/C(=C\Nc1cc(OC)cc(OC)c1)c1ccc(Cl)cc1 101509399 UPNYZWYTINOGGE-PDGQHHTCSA-N 361.825 4.373 0 1 FIAF Cc1ccc(CSc2nc3nncc-3c(O)n2-c2ccc(C)cc2)cc1 103538236 QQKOZRFREDKZQG-UHFFFAOYSA-N 362.458 4.382 0 1 FIAF CCCCn1c(=O)c2c(c3cc(C(=O)NC(C)C)ccc31)CCCCC2 169328889 RDSDEYZBRWLGMH-UHFFFAOYSA-N 354.494 4.209 0 1 FIAF CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1ncn[nH]1 205343853 OGIIWSJZLRMYLI-UHFFFAOYSA-N 351.439 4.040 0 1 FIAF C=C/C(C)=C/C[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C 214541371 COFSRJDBTTZNBZ-YBODUADKSA-N 364.526 4.015 0 1 FIAF CCC(C)(C)c1ccc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1 586882038 RPRGXWCBIBGVHS-UHFFFAOYSA-N 371.506 4.168 0 1 FIAF Cc1cccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c12 587258231 BOMSYRJUJBFOGG-SFHVURJKSA-N 358.445 4.443 0 1 FIAF CC1(C)[C@H]2OCC[C@H]2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587359421 RPLOHTAGBZAFPG-UYKQMDHISA-N 368.404 4.074 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(Br)c1)O2 587382654 SWZZKNHDQRAFPY-OAHLLOKOSA-N 350.187 4.185 0 1 FIAF Cc1ccc2c(c1)CCCN2[C@@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397979 DDKSBLPFXMNXIL-HJPURHCSSA-N 364.489 4.451 0 1 FIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cccc(Cl)c12 587496235 AIOAHJGJTNHHQO-HXUWFJFHSA-N 353.805 4.032 0 1 FIAF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO 587522275 GWYWDTZOTBMOIN-NRFANRHFSA-N 352.430 4.163 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCN(C)C)N1 587740436 JZOHJHPOWDJTPN-PXAZEXFGSA-N 357.311 4.070 0 1 FIAF CCOc1ccnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587773891 RWVCXWJMCCBGEZ-QGHHPUGFSA-N 365.246 4.006 0 1 FIAF CCC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815698 OXTXOXRJSNAJCE-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 587931301 RZEIVPGGTGFXJS-VOJFVSQTSA-N 373.250 4.485 0 1 FIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](CCc2ccc(Cl)c(Cl)c2)N1 962897643 LCJJZQDMBWCPQY-IRXDYDNUSA-N 368.235 4.405 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C(=O)OCC)c1cc(F)ccc1F 963233481 UMSLGBPQHNKEIN-IVZQSRNASA-N 373.443 4.428 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1c(F)cc(Cl)cc1OC 963260123 WDPWNBKDHPQCGG-KRWDZBQOSA-N 356.224 4.385 0 1 FIAF C[C@](O)(c1cncc(-c2nc3cc(F)ccn3c2C2CC2)c1)C(F)(F)F 1772629973 UNMCHOJMVDYJPI-KRWDZBQOSA-N 365.330 4.183 0 1 FIAF Cn1c(=NCc2ccccc2F)[nH]c2cnc(-c3ccc(Cl)cc3)cc21 1857591034 YXFWHQKGOXCNHI-UHFFFAOYSA-N 366.827 4.462 0 1 FIAF CCCCN1CCC(CNC(=O)c2cc(Cl)c3ccccc3n2)CC1 1857653261 JPNYXSFOQNPVPL-UHFFFAOYSA-N 359.901 4.130 0 1 FIAF Cc1cc2c(O)nc(CNC(=S)SCc3ccccc3)nc2s1 1857748367 DXXVCQXZXHTENE-UHFFFAOYSA-N 361.517 4.013 0 1 FIAF CO[C@H](CCC(C)=CCOc1ccc2ccc(=O)oc2c1)C(C)(C)OC 2356726969 CHRNOINRXHQYBU-LJQANCHMSA-N 360.450 4.338 0 1 FIAF CC(C)c1nc2cc(C(=O)N[C@@H](c3cccnc3)C(F)(F)F)ccc2o1 12430695 XLRXEWPLYYXVEF-HNNXBMFYSA-N 363.339 4.380 0 3 FIAF CC1=NN(c2ccccc2)[C@@H](c2ccc(OCC(=O)N3CCCC3)cc2)C1 4185109 CATFNBJDARSYGR-OAQYLSRUSA-N 363.461 4.015 0 1 FIAF Cc1cnc(CNc2nc(-c3ccc(N(C)C)cc3)nc3ccccc23)cn1 4258528 NMNAVBNHUYBLJI-UHFFFAOYSA-N 370.460 4.073 0 1 FIAF CCO[C@@H](C)c1cncc2c(=O)n3c(cc12)-c1[nH]c2ccccc2c1CC3 13360196 PXNLFQYEEDVRBA-ZDUSSCGKSA-N 359.429 4.198 0 1 FIAF biogenic COc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1 13580901 TZIVMMCILGEHRH-UHFFFAOYSA-N 353.426 4.064 0 1 FIAF COc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2cc(F)ccc23)cc1 13758864 BGWZLGOWCXYYRI-UHFFFAOYSA-N 351.381 4.045 0 1 FIAF CCCC[C@]1(O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]2(C)[C@@H]1O 17315771 YGVYDWADHKYSHH-PQBVEICXSA-N 358.522 4.443 0 1 FIAF biogenic Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCCCCO 28639386 CABNJNKNUKQGOW-UHFFFAOYSA-N 354.277 4.217 0 1 FIAF Clc1ccc(CN2CCc3ccccc3[C@H]2Cn2cncn2)c(Cl)c1 28762695 DXTRGTVZRSVNMH-LJQANCHMSA-N 373.287 4.385 0 1 FIAF CCn1c(N(C)C2CCN(CCc3ccccc3)CC2)nc2ccccc21 29567339 FNCIOVVOSPPYEO-UHFFFAOYSA-N 362.521 4.200 0 1 FIAF COc1cccc2c(OCCN3CCN(C4CCCCC4)CC3)cccc12 66074381 ZBBFQNYKACCBNL-UHFFFAOYSA-N 368.521 4.178 0 1 FIAF CCc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccco2)s1 82165681 OTJWPBKBTDYVSQ-GFCCVEGCSA-N 356.451 4.013 0 1 FIAF c1cc2c(c(OC3CCCCC3)n1)C(c1cnn(CC3CCC3)c1)=NC2 96175975 UIBOJEYLLNEZNQ-UHFFFAOYSA-N 350.466 4.141 0 1 FIAF CCN(C(=O)c1ccccc1OCc1ccccc1C)[C@H]1CCC[C@@H](N)C1 96286341 RNVOUQXPLNRWPP-UXHICEINSA-N 366.505 4.306 0 1 FIAF S=c1s/c(=N\c2ccc(Br)cc2)n2n1CCCCC2 103187103 MIWGCRVVVKQAHI-QINSGFPZSA-N 356.314 4.259 0 1 FIAF COc1cnc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113655994 JBNWJZGHPXUORC-UHFFFAOYSA-N 370.456 4.410 0 1 FIAF Cc1cnc(NC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)s1 218635679 DGRFZOOMJAHGQS-UHFFFAOYSA-N 360.414 4.143 0 1 FIAF COc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Cl 587005787 SMBXRVKUXAQILB-UHFFFAOYSA-N 374.025 4.098 0 1 FIAF Cc1ccc2c(ccc3nc([C@H]4CSCN4C(=O)C(C)(C)C)[nH]c32)n1 587042933 NWLGIJDWCBBDAA-OAHLLOKOSA-N 354.479 4.040 0 1 FIAF Cc1ccnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 587116606 JBCDMUMQCPIPPD-UHFFFAOYSA-N 369.778 4.255 0 1 FIAF CCCCCOc1cc2nc(C[C@@H](C)N(C)C)[nH]c2cc1Br 587192600 WPLFLKLKEXRUAO-GFCCVEGCSA-N 368.319 4.387 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)c(O)c(C)c(C)c1O)CC2=O 587487760 IGZWNGKXVYDCLO-KRWDZBQOSA-N 356.418 4.388 0 1 FIAF CCOC(=O)[C@]1(c2ccccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587524537 RYDNEKMQLOQFRB-HSZRJFAPSA-N 364.441 4.298 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)n1 587552419 RLBFGRSMMXEVMP-LPHOPBHVSA-N 353.761 4.144 0 1 FIAF CC[C@H](C)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587583411 VYOGQEDATKBEQU-WMHILYHISA-N 364.401 4.263 0 1 FIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)cc1O 587605913 BOHCJRXKLSIGRJ-SIKLNZKXSA-N 362.381 4.418 0 1 FIAF Cc1cc(C)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587608854 MXVSYSAIUXLSGQ-GCJKJVERSA-N 362.381 4.418 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2F)N1 587725731 RWFJDZIXKFEAKJ-BCTVWOGZSA-N 356.185 4.490 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COc2ccc(F)cc2)N1 587729333 HIXHYXKVDBONJU-BONVTDFDSA-N 368.221 4.382 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cnc2F)N1 587739770 VUWPMTPVNRQRAB-JKYUHCHBSA-N 373.628 4.399 0 1 FIAF CC(C)[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587742480 RNZMVDHFZVUBHG-FTHFJMPFSA-N 355.295 4.049 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccoc3cn2)N1 587777457 HWHGJXGHBMRMFO-XLFHBGCDSA-N 361.214 4.353 0 1 FIAF CCOC1=C(C)[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587801376 KWTUFZPWHCQKJO-QGHHPUGFSA-N 354.263 4.422 0 1 FIAF CO[C@]1(C)C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587807911 FDMBPHBBKARKRD-HKJPBSJPSA-N 356.279 4.153 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccco2)N1 587828431 NIXCTFCGEQRVPE-BTDLBPIBSA-N 366.230 4.204 0 1 FIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587938722 ZHBUJZGUGCSHKP-HWPZZCPQSA-N 366.339 4.307 0 1 FIAF COc1cc(-c2ccccc2)c(OC)n1-c1ccnc(Br)c1 587939668 IHILDISLZNODPF-UHFFFAOYSA-N 359.223 4.319 0 1 FIAF CCC[C@]1(c2cc3ccc(O)cc3oc2=O)NCCc2ccc(F)c(C)c21 962085702 ACXUBIHFKWTRPT-JOCHJYFZSA-N 367.420 4.136 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCC3(CCCC3)C[C@H]1CN)N(C(C)C)CC2 962092979 RPZRJADVBQJKKE-CVDCTZTESA-N 356.554 4.476 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@](c1cccc(Cl)c1)(C1CCC1)NCC2 962934139 VAYIMAVRZVLBHC-JOCHJYFZSA-N 368.908 4.231 0 1 FIAF C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12c1c(F)cccc1C[C@@H]1CCCN12 963117323 YLRJCRSBCNRIJY-ZWWNWMABSA-N 374.500 4.318 0 1 FIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1csc(Br)n1 963117828 ZCTZFAQZRUHMOT-RISCZKNCSA-N 353.260 4.155 0 1 FIAF O=C1c2ccc(F)cc2C(=O)N1c1nc(-c2ccc(Cl)cc2)cs1 1772616976 RFHOQCMMWUPIIF-UHFFFAOYSA-N 358.781 4.403 0 1 FIAF CCCn1cc(-c2csc(-c3cncc(NC(=O)C4CC4)c3)c2)cn1 1857655198 DFCORNPUKFIPDM-UHFFFAOYSA-N 352.463 4.432 0 1 FIAF COc1ccc(S(=O)(=O)n2ccc3cccc(-c4ccco4)c32)cc1 1857753410 YRKYIRPXCVPLAX-UHFFFAOYSA-N 353.399 4.147 0 1 FIAF C[C@H](Nc1ccc2c(c1)NCCC2)C(=O)Nc1ccc(Br)cc1 1911577930 KCOBLEINXCYVGR-LBPRGKRZSA-N 374.282 4.246 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CCC(=CC(=O)O)O2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356417691 IWSKYCJOAZZKEJ-NFOARMRWSA-N 364.482 4.308 0 1 FIAF COc1cc(-c2ccnc3cc(-c4ccccc4)nn23)cc(OC)c1OC 2382222384 MSWFPNNGCKNCEN-UHFFFAOYSA-N 361.401 4.089 0 1 FIAF COc1ccc(OC)c([C@@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)c1 61906314 UEEHJLHWVFJSBH-OAQYLSRUSA-N 360.413 4.329 0 3 FIAF CC(C)NC(=O)Cc1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1 6900983 JMUIRIWMLFVROW-UHFFFAOYSA-N 370.456 4.155 0 1 FIAF CCC(=O)NC[C@@H]1CCCc2c1c1cc(OC(F)(F)F)ccc1n2C 13777812 JAIWHQXBMHYHKQ-NSHDSACASA-N 354.372 4.023 0 1 FIAF CCc1c(C(=O)OC)ccc2c1CC[C@@H]1[C@@](C)(C(=O)OC)CCC[C@@]21C 14927653 IQEUKXWABWRDNI-NYVOZVTQSA-N 358.478 4.219 0 1 FIAF biogenic CN(C)C(=O)CCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 26497367 JKEBCVSDYKYACQ-UHFFFAOYSA-N 361.486 4.108 0 1 FIAF O=C(O)CC/C=C\C[C@H]1CO[C@@H](c2cccs2)O[C@@H]1c1cccnc1 27751236 TZGFTCJPPBRFFT-OQXRQTOTSA-N 359.447 4.357 0 1 FIAF CCC(=O)[C@@H](c1ccc(O)cc1)C1CCN(CCc2ccccc2)CC1 27859858 YEPBUCSLPCXDGL-QHCPKHFHSA-N 351.490 4.410 0 1 FIAF COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(SC)cc3)[C@H]1CC2 28635544 RWKJDHOCQRKOID-RXVVDRJESA-N 366.486 4.287 0 1 FIAF Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(-c2ccccc2O)n1 40395201 CBFHKBXLJAGMAD-UHFFFAOYSA-N 352.365 4.212 0 1 FIAF CC(C)(C(=O)Nc1nncs1)[C@@H]1c2ccccc2Oc2cc(O)ccc21 72107060 ZSMCHXGGQCKXMY-MRXNPFEDSA-N 367.430 4.146 0 1 FIAF COc1cc(OC)c2c(c1/C=C\C(C)(C)O)O[C@H](c1ccccc1)CC2=O 95486270 DKYFESWWIPJYTA-MQNTZWLQSA-N 368.429 4.194 0 1 FIAF biogenic,in-vitro O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1)c1ccc(F)cc1 100946330 VOOMTGMTOGFBQE-SFTDATJTSA-N 370.443 4.280 0 1 FIAF O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cc(Cl)nc(Cl)c1 117736577 UNPXDJVIXCAWBG-GFCCVEGCSA-N 350.249 4.108 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)C[C@H]2CC[C@H]1N2C 253639843 VMRNKEYMTOGQHV-XRXFAXGQSA-N 353.437 4.232 0 1 FIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3nc(Cl)c[nH]c-3n2)c1 586878136 COIPMMMSQUAVJZ-UHFFFAOYSA-N 362.820 4.473 0 1 FIAF N=c1[nH]ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063708 SSJYUSKHIJYCNF-UHFFFAOYSA-N 350.809 4.270 0 1 FIAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587118472 QGAYESZQOCOYGZ-UHFFFAOYSA-N 370.334 4.213 0 1 FIAF CC(C)(C)OC(=O)N1[C@H](c2cc3c4c(cccc4n2)CC3)COC1(C)C 587211206 BIKITGYMHYCCJB-KRWDZBQOSA-N 354.450 4.378 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(C[C@H](Oc4ccccc4)C1(C)C)[C@@H](C2)C3=O 587442350 LIYDHEOVDNVSEN-ZJBJCVSYSA-N 350.414 4.059 0 1 FIAF CC[C@]1(C)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2O1 587452094 DCZZFBGHEXDWRY-NPFVIJTESA-N 350.414 4.289 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)O)cc1Cl)CC2=O 587463458 XFPJZWDHFPHEKX-KRWDZBQOSA-N 360.793 4.403 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(O)c1F 587555702 HMRSHISMMAQAKM-JXFKEZNVSA-N 370.307 4.079 0 1 FIAF C[C@@H]1CC(C)(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587605301 YRPQCUCJDJGYIN-NYFKNOIKSA-N 366.413 4.118 0 1 FIAF Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 587612615 MECYPDLXBHLVOY-JXFKEZNVSA-N 367.426 4.343 0 1 FIAF CCc1cccnc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587774776 XQLWPWKWLICOSK-ZMZPIMSZSA-N 363.274 4.343 0 1 FIAF CC(C)[C@@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587779102 QFOXJKYSPSTROU-SGTLLEGYSA-N 363.274 4.417 0 1 FIAF COCC[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587796434 SVEHQZGJFHROAL-PLQHRBFRSA-N 356.279 4.154 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSCC(C)(C)C2)N1 587858039 OFRTZQDTQADZII-QLJPJBMISA-N 358.320 4.481 0 1 FIAF COc1ccc(OC)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1OC 587925314 FMUIROJWOAHGIJ-UHFFFAOYSA-N 368.311 4.154 0 1 FIAF CO[C@@H](C)COC1CCC(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 587952557 TVGCCYJWQAJQIP-UNXYVOJBSA-N 357.376 4.054 0 1 FIAF COC(C)(C)CCC[C@@H](C)C[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962892978 HUTFYSYPMCAZTI-BVGQSLNGSA-N 351.462 4.087 0 1 FIAF CSc1ccc([C@@]2(C3CCC3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962899014 PZEYQUJBTVGEBD-GHTZIAJQSA-N 371.477 4.190 0 1 FIAF c1ccc(CN(Cc2ccccn2)c2cc(-c3ccsc3)ncn2)nc1 1857566981 OTHWUACDENGMBZ-UHFFFAOYSA-N 359.458 4.202 0 1 FIAF COc1cc(-c2cnc3cnc(-c4ccsc4)cn23)cc(OC)c1OC 1857599849 XWYICEWJIVXVLA-UHFFFAOYSA-N 367.430 4.151 0 1 FIAF COc1cc(OC)c2c(c1C=CC(C)(C)O)O[C@@H](c1ccccc1)CC2=O 2356578758 DKYFESWWIPJYTA-QGZVFWFLSA-N 368.429 4.194 0 1 FIAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(-c5ccc(F)cc5)ccc4CCN3C[C@@H]12 199740068 GJIHLIIQQFRKLC-SVWBVHECSA-N 352.453 4.046 0 3 FIAF CC1(C)CC(=O)[C@@H](C[C@H]2COC(C)(C)CC2=NNc2ccccc2)CO1 4064350 HPBUPLSCXWKXPB-HOTGVXAUSA-N 358.482 4.044 0 1 FIAF biogenic COc1ccc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)cc1O 13311974 XEOFUBPZBRENSE-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF biogenic,in-vitro Cn1cc(C2=C(c3c(Cl)cccc3Cl)C(=O)NC2=O)c2ccccc21 13447880 XWAKXCPKEGUXKX-UHFFFAOYSA-N 371.223 4.052 0 1 FIAF O=C(CCCN1CCN(c2cccc3ccoc23)CC1)c1ccc(F)cc1 13738312 HUACSDTUNPSEBC-UHFFFAOYSA-N 366.436 4.357 0 1 FIAF Cc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1C 13802978 MEPWUVRGPZZAFY-UHFFFAOYSA-N 350.462 4.014 0 1 FIAF CCC(=O)c1c(O)n(O)c2cc(NC(=O)Nc3ccccc3Cl)ccc12 18169310 OFLBQMCGPJXXAT-UHFFFAOYSA-N 373.796 4.474 0 1 FIAF Fc1ccc(-c2cncc(CN3CCN(c4ccccc4F)CC3)c2)cc1 26171584 YQZMYCFYXGYDEA-UHFFFAOYSA-N 365.427 4.349 0 1 FIAF CN(C)CC[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26733131 RCNOMZBGTHQPSF-XMMPIXPASA-N 371.484 4.192 0 1 FIAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(O)cc3C)c(C)nn12 28359793 BBACNUQQFCBLCB-UHFFFAOYSA-N 353.470 4.049 0 1 FIAF NC(=O)C1CCN(c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 36380797 OPQZSQDVNUCLME-UHFFFAOYSA-N 363.486 4.179 0 1 FIAF Cc1ccc(C(=O)Cn2c(C(=O)c3ccccc3)nc3ccccc32)cc1 38894870 VLMAMKBUPCWFFG-UHFFFAOYSA-N 354.409 4.459 0 1 FIAF Clc1ccc(CNc2nnnn2-c2cccc(Cl)c2Cl)cc1 71341153 MSGFJUFDLREBMV-UHFFFAOYSA-N 354.628 4.235 0 1 FIAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[nH]n1 72124498 NKJPDKGJXFCIHP-UHFFFAOYSA-N 369.808 4.159 0 1 FIAF CCN(CC)CCN1CCCc2cc(NC(=N)c3cccs3)ccc21 73259061 JXLXJNSICOMGMX-UHFFFAOYSA-N 356.539 4.280 0 1 FIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1/C=C/c1ccccc1 100047550 LTZHSBVHIKMMIM-KHFXKVQOSA-N 355.434 4.434 0 1 FIAF O=C1NC(=O)/C(=C/c2ccc(OC[C@@H]3C[C@@H]4CC[C@@H]3C4)c(Cl)c2)S1 101692072 KEBLMCRLTPTWEZ-RIBDQQRMSA-N 363.866 4.479 0 1 FIAF CC(C)NC[C@H](O)COc1ccc(Sc2ccc(Cl)cc2)cc1 169318936 HNJVNQAPIMPKQF-HNNXBMFYSA-N 351.899 4.229 0 1 FIAF O=C(O)C1(Sc2ccnc3ccc(Br)cc23)CCCC1 220141659 GGHJJKMZKBPJRM-UHFFFAOYSA-N 352.253 4.487 0 1 FIAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cccnc3)cc2n1 221614301 GHFKCQCHIJKCHS-UHFFFAOYSA-N 371.415 4.320 0 1 FIAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@H]3CCOC3=O)[C@@H](C)CC[C@H]12 253695477 ZRFBDZGXQIKFNC-MXXNAXEESA-N 350.499 4.362 0 1 FIAF COC(=O)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@H]1C3 257557692 USASLHCCADYMNF-KLNHGJCOSA-N 362.510 4.362 0 1 FIAF endogenous,in-man COC(=O)[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 257557694 USASLHCCADYMNF-OJHUHCECSA-N 362.510 4.362 0 1 FIAF endogenous,in-man CCc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1Br 586976505 GAXGFYAZZFWGRV-OAHLLOKOSA-N 359.227 4.279 0 1 FIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587094180 LSHDLBVLSKJRMQ-RXMQYKEDSA-N 373.684 4.365 0 1 FIAF CN(C)c1ncccc1-c1nc2c(Cl)cc(Br)cc2[nH]1 587195857 LJHCILXQGHYQBT-UHFFFAOYSA-N 351.635 4.107 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccncc4)c1)[C@@H](C2)C3=O 587435847 JIMZKIOREILJEH-WMZHIEFXSA-N 357.409 4.420 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3cc(C)cn3)o1)CC2=O 587476949 SHRKAASJPVFWQB-FQEVSTJZSA-N 366.417 4.197 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)O)ccc1C)CC2=O 587492908 ZHJHHPXYPHIXIU-NRFANRHFSA-N 354.402 4.232 0 1 FIAF CCOC(=O)C[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526228 SHTJEYOENRUIQX-AOMKIAJQSA-N 356.462 4.413 0 1 FIAF O=C(O)CC[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587531661 MGJJFDQAUIBTQA-FQEVSTJZSA-N 356.443 4.352 0 1 FIAF C[C@]1(c2nc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585740 HICUIJMLXRKUSP-GCJKJVERSA-N 373.364 4.410 0 1 FIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(F)(F)F)c2c1 587650501 YISVAIQXJHQTAT-UHFFFAOYSA-N 357.328 4.396 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(F)cc(F)n1 587655765 QKZSOPPRLBAAPM-UHFFFAOYSA-N 371.293 4.004 0 1 FIAF CO[C@@H]1[C@H](C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 587807927 FLQBUSOAKPJUOR-DEBODMBPSA-N 368.290 4.153 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCCC[C@H]2O)N1 587833459 NSYOGISRYVMKAO-JDSLSITLSA-N 356.279 4.033 0 1 FIAF COc1ccccc1Cn1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868480 MJQYQUFWPZIPEL-UHFFFAOYSA-N 363.339 4.029 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(C)cc(C)c1 587870841 TVCISQJUXYQAST-UHFFFAOYSA-N 368.408 4.424 0 1 FIAF COc1ccc(-c2ccc(-c3nc4ccc(O)cc4[nH]3)c(O)c2)cc1OC 587926903 LMDKRVISOHDORQ-UHFFFAOYSA-N 362.385 4.325 0 1 FIAF COc1cccc(-c2cc(O)cc(-c3nc4c(Cl)ncnc4[nH]3)c2)c1 587931662 CJHYQKBKZSBYMH-UHFFFAOYSA-N 352.781 4.055 0 1 FIAF COc1c(C(=O)c2ccc(C(=O)O)cc2)cc2c(c1C)N(C)CCC2(C)C 653685364 LRGNSLYOTPKOBO-UHFFFAOYSA-N 367.445 4.050 0 1 FIAF CC(C)CN1CCc2cc(O)ccc2[C@]1(C)c1ccc(/C=C/C(=O)O)cc1 653721433 WIYPHWOCUFWQTJ-VMMLISQSSA-N 365.473 4.268 0 1 FIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2c[nH]c3c2ccc2ccccc23)N1 962922094 OUUGVVCAKYCSLQ-GHTZIAJQSA-N 360.388 4.149 0 1 FIAF COc1cccc2cc3c(nc12)[C@]1(CCOc2ccc(C)c(C)c21)NCC3 963053002 FVHCDAMNJZZEOP-HSZRJFAPSA-N 360.457 4.032 0 1 FIAF COc1ccc([C@@H](N)Cc2c(C)[nH]c3ccc(Br)cc23)cc1 1857537070 AQJWTDAWZNCKSB-KRWDZBQOSA-N 359.267 4.490 0 1 FIAF Cc1cc(C)c(Oc2nc(=N)nc(Nc3ccc(Cl)cc3)[nH]2)c(C)c1 1857768482 VMQCVUCTALUMAG-UHFFFAOYSA-N 355.829 4.399 0 1 FIAF C[C@@H]1CC[C@H]2CC3=C(C(=O)O)CC[C@]31[C@@]2(C)CNC(=N)NC1CCCCC1 2356360339 DKLWFBLWXKNSOB-CMLPYJLWSA-N 373.541 4.051 0 1 FIAF CCCCc1cn(-c2ccc(NC(=O)Nc3cc(O)ccc3C)cc2)nn1 2382222057 LRSYQBKWUVFWSC-UHFFFAOYSA-N 365.437 4.268 0 1 FIAF CCOc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 13488833 JIQLFJFMURQOMY-KUHUBIRLSA-N 372.896 4.474 0 1 FIAF COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H]1O[C@@]1(C)CCC=C(C)C 14776332 NHOWWFCRJNLVNU-KKSFZXQISA-N 374.433 4.093 0 1 FIAF biogenic CCCC[C@@H]1C[C@H](OC(C)=O)[C@@H]2CCCC[C@@]23CC[C@@H](N=C=S)CN13 14952854 IXONKJHYKDTHBP-SWBPCFCJSA-N 364.555 4.377 0 1 FIAF biogenic C[C@@]12CCC(=O)N[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C(=O)c1ccc[nH]1 26389102 XGBWNEKVHQUBJF-RNDLHZLASA-N 368.521 4.335 0 1 FIAF CS(=O)(=O)c1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)[nH]1 28220953 MWQFQCPWFONNRG-UHFFFAOYSA-N 366.364 4.166 0 1 FIAF C=C=CCOc1ccc(COc2ccc(/C=C/C(=O)OC)cc2OC)cc1 28705335 JNJBCXBDGFTVKB-UKTHLTGXSA-N 366.413 4.180 0 1 FIAF COc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1 40893639 QPSIQVQZGHKFDD-UHFFFAOYSA-N 352.341 4.371 0 1 FIAF Cc1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2C(N)=S)cc1 45496813 QOYGJEHSPLDCPU-INIZCTEOSA-N 374.307 4.152 0 1 FIAF COc1cc2c(cc1OC)[C@@H](O)[C@H](CC1CCN(c3ccccc3)CC1)C2 49045504 SSBYUQPQURUNFB-JPYJTQIMSA-N 367.489 4.216 0 1 FIAF COc1ccc(CCN[C@H](C)COc2c(C)ccc(C)c2C)cc1OC 66165941 DJFSMTKGHBXWGG-QGZVFWFLSA-N 357.494 4.229 0 1 FIAF CN1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@@]1(C)c1ccc(O)cc1 95576486 BAOQQJCFACCUKU-QGZVFWFLSA-N 365.216 4.013 0 1 FIAF O=C1c2ccccc2O[C@@H](c2ccc(Cl)cc2Cl)[C@@H]1n1cncn1 96916658 QXWIALIVYQYEDU-WBVHZDCISA-N 360.200 4.143 0 1 FIAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)N1CC3(CCCCC3)c3ccccc31)C2 100812551 WFSPCDVWDKOOED-QZTJIDSGSA-N 353.510 4.043 0 1 FIAF O=C(/C=C/c1ccccc1F)Oc1cc(CCc2ccccc2)oc(=O)c1 103278637 HUJZHUYARPOZSR-ACCUITESSA-N 364.372 4.183 0 1 FIAF C[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12 139762435 UOYLNGYNQPGQHA-OAHLLOKOSA-N 351.413 4.491 0 1 FIAF COc1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)cc2=O)cc1 143936576 DLHASOKUZQDKQO-UHFFFAOYSA-N 371.383 4.071 0 1 FIAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](CC(C)=CCC[C@]4(C)OC[C@@H]2C)[C@@H]31 299807656 MDSDQZGJBVBIFN-GJFDGQEWSA-N 362.510 4.129 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3ccc(F)c(C)c3[nH]2)cc1 586970915 POPUQNORDWFOCM-UHFFFAOYSA-N 357.454 4.233 0 1 FIAF CCOc1cc(/C=C/c2nc3cccnc3[nH]2)cc(Br)c1OC 586977269 DPEFETXPQIDXOK-VOTSOKGWSA-N 374.238 4.298 0 1 FIAF Fc1cc(F)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 587077272 UHJPTROJHRGGDF-UHFFFAOYSA-N 360.751 4.330 0 1 FIAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)n1 587080957 VZNLQNPBOVIZSR-JTQLQIEISA-N 358.808 4.376 0 1 FIAF Cc1c(Br)cnc2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc12 587150174 KVJBSJNAWOKLAJ-QMMMGPOBSA-N 368.181 4.447 0 1 FIAF Fc1cc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2cc1-n1cccn1 587150865 FWTUSDGAVOPBJE-RYUDHWBXSA-N 354.335 4.437 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)nc1Cl)CC2=O 587462552 RAGXELIUZXFOLJ-CYBMUJFWSA-N 353.205 4.148 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cccc(NC(C)=O)c31)CC2=O 587470449 NHJAWHWEFJIUPN-QFIPXVFZSA-N 365.429 4.110 0 1 FIAF Cn1ccnc1[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515125 JMLDSGGPDFQEBQ-OPAMFIHVSA-N 350.462 4.361 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Cl 587553723 VJPCTNAHQQNYIV-QAPCUYQASA-N 353.761 4.144 0 1 FIAF Fc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1C(F)(F)F 653917163 FHUKVZCMEJSTKP-INIZCTEOSA-N 369.358 4.124 0 1 FIAF CC(=O)Oc1cccc([C@H]2c3ccsc3CCN2Cc2cccn2C)c1 962401149 VQQLGCMRBSRALE-NRFANRHFSA-N 366.486 4.160 0 1 FIAF CCC[C@H](C)COc1ccc([C@H](CO)NC(=O)CCc2ccccc2)cc1 1772593404 IZGLCNWFSYVAKH-AVRDEDQJSA-N 369.505 4.284 0 1 FIAF CN(CCCCn1nc(-c2ccccc2)oc1=O)Cc1ccc(Cl)cc1 1772623102 ZOCOMRYPLDQRSF-UHFFFAOYSA-N 371.868 4.069 0 1 FIAF O=C1[C@H](Oc2ccccc2)[C@H](c2ccncc2)N1c1nc2ccccc2s1 1772630444 SJNTWDFBFVLXMN-RBUKOAKNSA-N 373.437 4.227 0 1 FIAF O=C(O)c1cc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1 2382252159 XGAGOJIBSVZPAP-UHFFFAOYSA-N 350.708 4.050 0 1 FIAF COc1cc(NC(=O)/C=C/c2c[nH]c3ccccc23)ccc1-c1cnco1 12354261 XISGETDECSXLGW-RMKNXTFCSA-N 359.385 4.483 0 1 FIAF CCSc1nc(-c2ccc(OC)cc2)nn1C(=O)N(C)c1ccccc1 13533158 UXHHCYYVWMSZBI-UHFFFAOYSA-N 368.462 4.170 0 1 FIAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)C2CCNCC2)cc1 13814120 CKNSULFOVOHSDA-QFIPXVFZSA-N 350.506 4.300 0 1 FIAF O=C(O)COc1ccc2c(-c3ccc(Cl)cc3F)noc2c1Cl 27517995 HYUFSLGMZPDDTN-UHFFFAOYSA-N 356.136 4.404 0 1 FIAF CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc3[nH]ccc3c2)c(C)c1 28350039 WFIFQXBGMJBOLB-UHFFFAOYSA-N 352.390 4.079 0 1 FIAF Cc1ccc2c(=O)n(C)c(-c3ccccc3C=O)c(Br)c2c1 28821998 WBHYCHMHWVHNQO-UHFFFAOYSA-N 356.219 4.089 0 1 FIAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(C)[C@@H](C)C1 53059668 IMZYOZMMPLONHQ-LBPRGKRZSA-N 358.486 4.221 0 1 FIAF CCN(CCNCc1coc(-c2cccc(OC)c2)n1)c1cccc(C)c1 72185137 RUQIFYDUZOYSKR-UHFFFAOYSA-N 365.477 4.275 0 1 FIAF Cn1c(-c2cc(-c3ccc[nH]3)no2)cc(Br)c1Br 96909561 PHASDELHRZYPNH-UHFFFAOYSA-N 371.032 4.200 0 1 FIAF CCN(CC)C(=O)[C@H]1CCCc2c1c1cc(F)c(OC)cc1n2CC[18F] 102894536 FGDKXQIJZSPQHK-OPVXIATFSA-N 363.439 4.047 0 1 FIAF CN1C[C@](O)(c2ccc3c(c2)Nc2ccccc2S3)O[C@H]2CCCC[C@H]21 261163910 RKNYLNHGFOONQP-LVCYWYKZSA-N 368.502 4.313 0 1 FIAF COc1ccc(-c2[nH]c(=Nc3ccc(Cl)cn3)sc2Cl)nc1 473136726 UOTPKSZYDZEJCT-UHFFFAOYSA-N 353.234 4.081 0 1 FIAF Brc1cnc2c(-c3nc4cc5ccccc5cc4[nH]3)cnn2c1 587008599 MSIGMSYXOSAYJH-UHFFFAOYSA-N 364.206 4.188 0 1 FIAF Fc1cc(C(F)(F)F)c2[nH]c(CSc3nnc(S)s3)nc2c1 587025549 OGKYLQKQWYAFKA-UHFFFAOYSA-N 366.390 4.153 0 1 FIAF COC(=O)[C@@]1(C)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587098836 VFIRYNKHJDDFLB-DEOSSOPVSA-N 371.436 4.423 0 1 FIAF OC1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCC(C(F)(F)F)CC1 587124830 CQEWEVLALYDRNT-UHFFFAOYSA-N 354.159 4.205 0 1 FIAF N[C@H](N=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133935 FOFJAHGSUJUDOQ-WPTTZPOMSA-N 368.265 4.153 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OC(F)(F)F)ccc1F)O2 587384274 ZGMUYNMHIPXVEB-HNNXBMFYSA-N 355.287 4.321 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCNc4cc5ccccc5cc41)[C@@H](C2)C3=O 587438695 HJUXUEOPPRPSNS-FDDCHVKYSA-N 357.409 4.307 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cc(F)cc1F 587557061 LIEXGNCAGIGZIH-XLIONFOSSA-N 370.307 4.079 0 1 FIAF Cc1[nH]c2cc(F)ccc2c1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 587634698 BHWKCBCMBASHIB-UHFFFAOYSA-N 351.381 4.216 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N(C)C)N1 587756921 SJEGYZZUJUHJMA-BBATYDOGSA-N 363.274 4.278 0 1 FIAF Cc1ccncc1CC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587775649 SSOWKTIRUIHYEV-KPZWWZAWSA-N 363.274 4.500 0 1 FIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587823625 VKHKSGNXNYTCIA-QGHHPUGFSA-N 350.231 4.226 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C=O)cs2)N1 587849678 VGVNTBJTQVMJMF-ABKXIKBNSA-N 368.271 4.260 0 1 FIAF Sc1nc(S)c2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2n1 587962780 YNVAXUTWOGVLJJ-UHFFFAOYSA-N 350.472 4.188 0 1 FIAF O=C(Nc1ccccc1)c1c(NCCc2cccc(Cl)c2)ccnc1O 653731208 HWWXIZUVQNCATG-UHFFFAOYSA-N 367.836 4.348 0 1 FIAF CC[C@@]1(Cc2ccccc2)c2cc(OC)ccc2CCN1CCCOC 961327962 VTTFZDBFQUSADD-HSZRJFAPSA-N 353.506 4.438 0 1 FIAF CC(C)NC[C@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961775216 IYGNGFCSBZMBSW-JOCHJYFZSA-N 373.541 4.051 0 1 FIAF CCCCNC[C@]1(c2ccc(O)cc2)c2c(F)cccc2C[C@H]2CCCN21 963101890 MJSAQVYQXMISGE-XXBNENTESA-N 368.496 4.185 0 1 FIAF COc1cc(C(=O)N[C@@H](C)c2c(F)cccc2Cl)ccc1-c1cn[nH]c1 1772588379 KSEWBEGMKXXEAT-NSHDSACASA-N 373.815 4.369 0 1 FIAF O=C(CSc1ncnc2c(C3CC3)c(Cl)sc12)N1CCCCC1 1911582013 WJPKWLCVFNYTLR-UHFFFAOYSA-N 367.927 4.327 0 1 FIAF CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN([C@H]2CC(C)=O)[C@@H]13 2356447416 RJITZLAAWJSIDF-VUUSGGLZSA-N 366.505 4.284 0 1 FIAF CC(=O)OC[C@]1(C)C[C@H](O)C[C@@]2(C)[C@@H]1CC=C(C)[C@@H]2CCC(C)=CCO 2356673636 RXNUONBNCKZRCS-BIRZXAFVSA-N 364.526 4.018 0 1 FIAF CCCCN1c2ccccc2CN2CC[C@@H](OC(=O)c3ccccc3)[C@H]21 2356846309 OMQYRVGINJIUNI-NHCUHLMSSA-N 350.462 4.064 0 1 FIAF CCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13823669 YEIPELYZWHCLIZ-UHFFFAOYSA-N 370.836 4.005 0 1 FIAF Cc1ccccc1Nc1nnc(-c2cccnc2CCc2ccncc2)o1 14946604 RKPFZJBDSHJADW-UHFFFAOYSA-N 357.417 4.364 0 1 FIAF COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc2c1CCN(C)C2 26738025 NAZIUTZBWZAMJR-UHFFFAOYSA-N 365.260 4.242 0 1 FIAF Cc1ccccc1N1CCN(Cc2cccc([C@H](O)c3ccccc3)c2)CC1 27421386 LZRZZVVCEUJCBJ-RUZDIDTESA-N 372.512 4.399 0 1 FIAF Cc1ccc([C@@]2(Cn3ccnc3)OC[C@H](c3ccc(Cl)cc3)O2)cc1 28768456 YEFXQLLIGSJVJU-UXHICEINSA-N 354.837 4.486 0 1 FIAF CCc1ccc(C(=O)c2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1 34524654 PQQFOWGWPKGHMW-UHFFFAOYSA-N 369.424 4.122 0 1 FIAF COc1oc(=O)c2cc(NC(=O)CCc3ccccc3)ccc2c1Cl 40466037 YIMYLVJQTXIYTB-UHFFFAOYSA-N 357.793 4.026 0 1 FIAF N[C@H]1CCN(Cc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)C1 45201554 OBQDHHPMRZQVTF-SFHVURJKSA-N 374.513 4.491 0 1 FIAF CCCSc1c(CO)ccc2c1sc1nc3n(c(=O)c12)CCCCC3 45260186 WPUHMCMYUCLDBF-UHFFFAOYSA-N 374.531 4.332 0 1 FIAF COc1ccccc1NC(=O)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C 58603679 DYEQCXMWRLAYDY-QGZVFWFLSA-N 368.433 4.000 0 1 FIAF CC(=O)O[C@@H]1CC2=C(COC2=O)[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 59110251 FLSJEPDXKPIBAA-JVFGBDHYSA-N 360.494 4.424 0 1 FIAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CO)C(C)C)co2)cc1 82069963 USFDPOGRNFFCAR-GOSISDBHSA-N 374.481 4.047 0 1 FIAF O=C(NCC1CC1)c1cnc(NC2CCCCC2)nc1-c1ccccc1F 82151256 UEKGIRIPDNVUCW-UHFFFAOYSA-N 368.456 4.167 0 1 FIAF Cc1ccccc1-c1nc(NC[C@@H]2CCCO2)ncc1-c1nc(C)c(C)o1 82177372 WKQCSISFMWMDIU-INIZCTEOSA-N 364.449 4.315 0 1 FIAF FC(F)(F)COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2 96900900 TYRLWIIURFREJC-ZIAGYGMSSA-N 354.199 4.194 0 1 FIAF CCOC(=O)/N=c1/sc(SC)cn1-c1cccc(C(F)(F)F)c1 103272200 HTNVGVNXKNZHCZ-LDADJPATSA-N 362.398 4.337 0 1 FIAF c1ccc(-c2csc(Nc3ncnc4cc5c(cc34)OCCO5)n2)cc1 169326858 APPXITKFMIHZGN-UHFFFAOYSA-N 362.414 4.268 0 1 FIAF COc1cccc(N2C(=O)CS[C@H]2c2cccc(Br)c2)c1 169342623 SCQMROROKPAOJM-INIZCTEOSA-N 364.264 4.236 0 1 FIAF O=C(O)C[C@H](c1cccc(-c2ccc3c(c2)OCCO3)c1)c1nccs1 221112659 CUHRKYMYZMTULM-MRXNPFEDSA-N 367.426 4.188 0 1 FIAF Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NC(C)(C)C)cn1 299828738 HBYKTXMIAGEOAT-UHFFFAOYSA-N 362.437 4.274 0 1 FIAF CCCc1cc(=O)oc2c1c1c(c3oc(C(=O)O)cc32)C=CC(C)(C)O1 299855009 CGIKWNUEKBHSNV-UHFFFAOYSA-N 354.358 4.374 0 1 FIAF COc1ccc(-c2cc(C(=O)O)nn2-c2ccc(Br)cc2)cc1 299868426 ZXIZQEMPJSAWAM-UHFFFAOYSA-N 373.206 4.009 0 1 FIAF O=C1CCc2cc3nc(-c4cccc(-c5ccccc5CO)c4)[nH]c3cc2N1 586895007 KNLKFTLLYGQOFZ-UHFFFAOYSA-N 369.424 4.274 0 1 FIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc3ncccc3c2[nH]1 586963160 LIEGATGZXVVGPS-CQSZACIVSA-N 351.435 4.159 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)Cc1cc(O)ccc1C3 586991386 NIHADUNZKPGGLM-UHFFFAOYSA-N 365.388 4.352 0 1 FIAF Cc1cc(Cl)ccc1OCCCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 587066416 MYAWGWVNBIWGES-SFHVURJKSA-N 358.829 4.260 0 1 FIAF O=C(O)c1cccnc1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108288 ZCIPJYRAVJIQTM-UHFFFAOYSA-N 366.376 4.130 0 1 FIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cncc(Br)c3[nH]2)c1 587241435 BTVXHOGHBBSEFV-UHFFFAOYSA-N 373.254 4.372 0 1 FIAF CC(C)CCOc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1Br 587246142 DTSJZECOMPQMSB-NWDGAFQWSA-N 366.303 4.345 0 1 FIAF O=C1c2ccc(O)cc2OC2(Cc3ccccc3C2)[C@@H]1c1ccc(F)cc1 587351587 KFZTZMLFDKGYJT-OAQYLSRUSA-N 360.384 4.428 0 1 FIAF Cc1cc(C)nc(SC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587532035 KLNUEBFVULITPK-NRFANRHFSA-N 368.502 4.488 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccsc12 587617562 KHBMGYKMCSEUOA-OXQOHEQNSA-N 350.395 4.257 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Cl)s1 587618579 OTCFMFUSAQPOOH-CZUORRHYSA-N 359.790 4.205 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(F)c2)N1 587733849 SPVITEXAZMPORY-ZKANADHPSA-N 354.194 4.057 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CC3(CCC3)C2)N1 587819696 WRNFJZLXNQPWRE-VOJFVSQTSA-N 366.274 4.241 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cc3ccccc3OC2)N1 587835562 PSPGWNSPMYGHBR-HXPMCKFVSA-N 374.253 4.424 0 1 FIAF O=C(Cn1c(-c2ccccc2)cc2ccc(F)cc21)NCc1ccccn1 1772590704 QUJGUPYPJDWQSM-UHFFFAOYSA-N 359.404 4.159 0 1 FIAF CC(C)(C)CC(C)(C)NC(=O)Nc1nccnc1OCc1ccccc1 1857769923 AJJJDZLWEJCOQY-UHFFFAOYSA-N 356.470 4.392 0 1 FIAF O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(Cc2ccco2)C1 11708595 RIIPRXIJGXHVIW-QGZVFWFLSA-N 350.418 4.390 0 3 FIAF C[C@@H](CO)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1 13528399 NPHRPHMHAOPRTH-ZDUSSCGKSA-N 362.408 4.224 0 1 FIAF Cc1nc2c3c(c(C(=O)N4CCCC4)cn2c1C)CC[C@H](c1ccccc1)C3 13983749 PDDUGZPBLONWCU-IBGZPJMESA-N 373.500 4.460 0 1 FIAF COc1c(-c2ccc(OCC=C(C)C)cc2)oc2cc(O)cc(O)c2c1=O 14813864 GAHPANFILVQETL-UHFFFAOYSA-N 368.385 4.225 0 1 FIAF biogenic N[C@H](COc1cc(/C=C/c2ccncc2)ccn1)Cc1c[nH]c2ccccc12 14957739 SCHRTFXRDSLPTA-XJDXJNMNSA-N 370.456 4.077 0 1 FIAF O=C(O)c1ccc(C(=O)O)c2nc(/C=C/c3cccc(Cl)c3)ccc12 28957906 PJYXYZFVWILGAT-SNAWJCMRSA-N 353.761 4.455 0 1 FIAF CCCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1 29061612 NACCHUCYJDPJBJ-UHFFFAOYSA-N 361.401 4.278 0 1 FIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CNC4)no2)cc1Cl 43206615 SQGHDWNCLUHUBQ-UHFFFAOYSA-N 355.825 4.447 0 1 FIAF O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccc(F)cc1 66111885 BMDQHMWITGBSNM-NRFANRHFSA-N 367.807 4.329 0 1 FIAF O=c1cc(Cn2ccnc2)c2ccc(OCc3ccc(Cl)cc3)cc2o1 66122811 ZFELUXBLPCVFBV-UHFFFAOYSA-N 366.804 4.270 0 1 FIAF CCCc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 72111073 UNZCJBQTJXLUJK-UHFFFAOYSA-N 353.372 4.157 0 1 FIAF Brc1ccc(-c2nnc3ccc(-c4ccccc4)nn23)cc1 82060614 LPJLGHWDQHEQLP-UHFFFAOYSA-N 351.207 4.221 0 1 FIAF CCCc1nnc([C@@H](Cc2ccccc2)n2sc3ccccc3c2=O)o1 95595998 IASOWGJECREGPV-MRXNPFEDSA-N 365.458 4.231 0 1 FIAF COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc(O)cs2)cc1 169726273 AZMWIUYEZBYQSF-QGZVFWFLSA-N 351.431 4.213 0 1 FIAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1SC(C)(C)C 222449378 JTAMJXTXUVCVAP-UHFFFAOYSA-N 366.490 4.110 0 1 FIAF Cc1cc2c(Br)ccc(-c3nc4cc(N)c(N)cc4[nH]3)c2o1 587004620 VYIOZQXJWJLCAY-UHFFFAOYSA-N 357.211 4.211 0 1 FIAF Fc1cc(Br)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587035443 QFWBQRROABIWET-GFCCVEGCSA-N 367.243 4.383 0 1 FIAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)ncc(F)c3[nH]2)n1 587081254 YMRVMBZWUAUNKO-LURJTMIESA-N 372.629 4.347 0 1 FIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 587242448 TUFUGKLEIVRCHE-SFHVURJKSA-N 365.437 4.328 0 1 FIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2nc(Cl)c[nH]c-2n1 587247859 VKVPANQVXHJOEE-UHFFFAOYSA-N 365.824 4.373 0 1 FIAF C[C@@]1(c2cscn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375858 VOJNKGRXIYKSSL-HKUYNNGSSA-N 355.390 4.262 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(N)c(Cl)c1)[C@@H](C2)C3=O 587424412 ZXZDWEJJWPPLEA-BBATYDOGSA-N 364.228 4.247 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(C(CC)(CC)C(=O)OCC)CC2=O 587480365 JGDUUWZUHMSMJI-HXUWFJFHSA-N 362.466 4.438 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(O)c(OC)c1)CC2=O 587482989 STCCARLFQDMIPB-OAQYLSRUSA-N 356.418 4.330 0 1 FIAF CCOC(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516532 XTTZHJORTXLKKB-QFIPXVFZSA-N 365.429 4.018 0 1 FIAF COCOc1ccc(OC)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521688 DYFXDXNOMRBQLA-NRFANRHFSA-N 368.429 4.263 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ncc1F 587571231 PSDJBPROZZYUIH-LPHOPBHVSA-N 371.751 4.283 0 1 FIAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccccc3F)[nH]c12 587638873 RZJPXYAPDKTFDQ-UHFFFAOYSA-N 351.255 4.417 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3nccc-3c2)N1 587804016 QPEHOGFQCLZLKO-MGNBDDOMSA-N 374.257 4.214 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(O)CCCCC2)N1 587824293 ZNPZBZYKDCYJHT-MEDUHNTESA-N 356.279 4.033 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCO3)N1 587831942 AKQNVBLZJHZIEE-MLCYQJTMSA-N 362.242 4.147 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCCO3)CC2)N1 587836554 AHNUDZBDRONNQK-RGZNSWCXSA-N 368.290 4.441 0 1 FIAF COCC[C@]1(c2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962717856 RBTQLNCRNJRBRL-GCJKJVERSA-N 371.521 4.469 0 1 FIAF CC(=O)N(C)c1cccc([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)c1 963114543 VNVBIJHDUUIHSY-DENIHFKCSA-N 352.453 4.092 0 1 FIAF CCSCC[C@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963180020 FWBKYQYMCBIYEB-OLZOCXBDSA-N 367.820 4.142 0 1 FIAF COc1ccc(NC(=O)[C@@H]2CCN(c3ncccc3C)C[C@@H]2C)cc1Cl 1857602213 KITLBRBMPPLJCD-GOEBONIOSA-N 373.884 4.153 0 1 FIAF O=C1Nc2cc3c(c(Cc4ccccc4)c2O[C@@H]1c1ccccc1)OCO3 1857753440 FHTMMMNYZACVKX-LJQANCHMSA-N 359.381 4.078 0 1 FIAF Cc1cc(N[C@H]2CCN(C(=O)Nc3ncc(Cl)s3)C2)ccc1Cl 2382242479 CUOWUTDZKBIYCJ-NSHDSACASA-N 371.293 4.477 0 1 FIAF Cc1nc2cc(-c3ccsc3-n3c(C)ccc3C)[nH]n2c(=O)c1Cl 100454560 QTHLBJXNUBMAQX-UHFFFAOYSA-N 358.854 4.120 0 3 FIAF CCN(CC)c1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)n1 2458859 FIHBCRUUNHTWMQ-UHFFFAOYSA-N 355.360 4.026 0 1 FIAF COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1OC 2468488 CDBZPBXXFHEQSW-LIRRHRJNSA-N 374.824 4.127 0 1 FIAF O=C(Nc1ccc(C(=O)O)cc1)Nc1ncccc1OCc1ccccc1 13680227 DNVYMRXHCXKCPN-UHFFFAOYSA-N 363.373 4.003 0 1 FIAF O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCC1 28826673 YUPUKCAGRWWJHY-UHFFFAOYSA-N 352.312 4.487 0 1 FIAF Cc1cccc(-c2nc(CNC3CCN(Cc4ccccc4)CC3)co2)c1 72103119 HTHOLOYOVIHRAN-UHFFFAOYSA-N 361.489 4.404 0 1 FIAF CCCCc1c(O)c2cc(Br)cnc2n(-c2ccccc2)c1=O 100819339 AMWHTAKMGKKTRE-UHFFFAOYSA-N 373.250 4.196 0 1 FIAF COP(=O)(OC)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 103210598 QZPMGNLLWAYTGW-IUCAKERBSA-N 371.153 4.136 0 1 FIAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2ccncc2)c1 113787235 LZFVVLNURQTGEB-UHFFFAOYSA-N 352.777 4.353 0 1 FIAF CCCCOc1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 169726084 IPCIWJQQUNQAEN-ZWKOTPCHSA-N 364.470 4.097 0 1 FIAF Nc1nc2c(s1)[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)CCCC2 220883780 ZOCYHFYCWXDQHC-NSHDSACASA-N 370.305 4.159 0 1 FIAF COc1cncc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c12 586882415 SCMOKSOOIVEMRW-UHFFFAOYSA-N 357.413 4.481 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3cc(C)c(C)cc3[nH]2)cc1 586971406 WXWCSDQFETWUKD-UHFFFAOYSA-N 353.491 4.403 0 1 FIAF Clc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCO3 586979841 DJRGUODHAKWNTQ-UHFFFAOYSA-N 351.587 4.375 0 1 FIAF N=c1[nH]ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587158701 KLZYRUQRFWAZAO-KRWDZBQOSA-N 368.799 4.331 0 1 FIAF O=C(/C=C/c1nc2ccc(Br)c(F)c2[nH]1)Nc1ccccc1 587244108 LEWYUDUQRSUDNX-CMDGGOBGSA-N 360.186 4.116 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)c(F)c1)O2 587382185 PKAXIVVKXOBYRJ-KRWDZBQOSA-N 364.214 4.359 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1C(=O)OC(C)(C)C)O2 587402613 ZXBJUDGXZKTKIP-SFHVURJKSA-N 353.418 4.239 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(Cl)n1C)CC2=O 587461402 MOHHPXKCEMKVSX-LBPRGKRZSA-N 355.221 4.092 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccc(F)c1)CC2=O 587465525 FIMAWSRSYHDWBH-OAQYLSRUSA-N 371.408 4.237 0 1 FIAF CN(C)CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507066 RDGDOVONYOMSRV-JOCHJYFZSA-N 365.473 4.212 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccnc1Cl 587559040 VLEAHTNHZOWFAO-MAUKXSAKSA-N 371.751 4.283 0 1 FIAF C[C@@]1(c2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598952 ZDJUVWFSZPOFMH-PGRDOPGGSA-N 372.380 4.146 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cl)c2N)N1 587695942 SVBXTMCDOQGZJH-PWJLMRLQSA-N 369.665 4.447 0 1 FIAF CCOc1ccc(OCC)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587777819 FIEAHVHICQDIAF-UHFFFAOYSA-N 366.396 4.352 0 1 FIAF CCOC1=C[C@]2(CCC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587802681 TWCAPGBNMPIYIB-GTNSWQLSSA-N 354.263 4.422 0 1 FIAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587807202 KDGOMSPXOLMVLP-BTDLBPIBSA-N 350.231 4.220 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2C=O)N1 587815200 KQBUCBSSMYHMJY-VOJFVSQTSA-N 362.242 4.198 0 1 FIAF Cc1nc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587852424 KXKFOZJVPALLFB-ZKANADHPSA-N 369.303 4.459 0 1 FIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cccc(OC(F)(F)F)c4[nH]1)(C3)C2 587969616 RCWNRNKZKYLPIC-FYBJUZMNSA-N 350.340 4.108 0 1 FIAF Fc1ccc([C@@]2(C(F)(F)F)NCCc3nc4ccccn4c32)cc1Cl 962983088 AMJASDSMZLBLEW-MRXNPFEDSA-N 369.749 4.078 0 1 FIAF Oc1ccc2c(c1)[C@@](c1ccc(Br)cc1)(C1CCC1)NCC2 963343358 UPKKFUBEWQATHR-IBGZPJMESA-N 358.279 4.344 0 1 FIAF CCCOc1cc([C@H]2NCCc3cc(Cl)ccc32)cc2nc(N)oc12 963392140 YCXREKDEWXLWMR-QGZVFWFLSA-N 357.841 4.087 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CC(C)(C)Cc2[nH]cc(C)c21 963607387 JTDPUSOCHSIXGC-RCDICMHDSA-N 354.494 4.091 0 1 FIAF CC(C)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1 1857569436 ULVUJUFHRMWXTK-UHFFFAOYSA-N 372.515 4.225 0 1 FIAF O=C(O)CCc1c(C(=O)O)[nH]c2cc(-c3ccc(F)cc3)cc(Cl)c12 1857753678 UBPWHWKQICXBGV-UHFFFAOYSA-N 361.756 4.343 0 1 FIAF COC(=O)[C@]1(C)CCCC2=C1CC[C@H](C)[C@@]21C[C@@H](c2ccoc2)OC1=O 15161051 CRSACJNXOSEYLN-LNWOYWOMSA-N 358.434 4.344 0 1 FIAF biogenic CCc1cc(CCCOc2c(C)cc(-c3noc(CC)n3)cc2C)on1 26478568 DWRNBJGJSXTVGS-UHFFFAOYSA-N 355.438 4.478 0 1 FIAF COc1ccc2c(c1)OC[C@H]1c3cc(O)c4c(c3O[C@H]21)C=CC(C)(C)O4 43074704 VWRAKYMXGMVCQG-MAUKXSAKSA-N 352.386 4.195 0 1 FIAF biogenic COc1cc(CNc2cc(-c3ccc(C)cc3)ncn2)cc(OC)c1OC 82161180 CYCVOPZFTLWKCI-UHFFFAOYSA-N 365.433 4.090 0 1 FIAF Cc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(C(N)=O)cnc2c1 84616671 QWDANQMCVSOTGM-UHFFFAOYSA-N 358.401 4.349 0 1 FIAF NC1(c2ccc(-c3nc4ccc(CO)cn4c3-c3ccccc3)cc2)CCC1 113656327 WBZUWSGBNWQZOF-UHFFFAOYSA-N 369.468 4.499 0 1 FIAF COCc1c(-c2nc(-c3cc(F)ccc3F)no2)cnn1-c1ccccc1 114563001 ICIRYEUNCNGRQW-UHFFFAOYSA-N 368.343 4.014 0 1 FIAF Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(C(=O)N(C)C)cc3)c2c1 169322630 KDYJMIICBNGADQ-UHFFFAOYSA-N 374.444 4.058 0 1 FIAF Cc1cccnc1N[C@H]1CC[C@H](Oc2ncccc2C2CCOCC2)CC1 261083144 CBQDVQFSGGVVFK-WGSAOQKQSA-N 367.493 4.481 0 1 FIAF O=[N+](Nc1ncc(-c2ccccc2)cn1)c1ncc(-c2ccccc2)cn1 377843331 RSXCGGHUAQFVMY-UHFFFAOYSA-N 355.381 4.038 0 1 FIAF CC(C)c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(O)c(C(C)C)c1 586896940 VAPDLJZUBHMRKM-UHFFFAOYSA-N 362.437 4.158 0 1 FIAF COc1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cn1 587067846 RMEUFPZJWGGHDN-UHFFFAOYSA-N 365.820 4.446 0 1 FIAF Cc1cc(Br)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1F 587138111 WNVKNIMIXAKTHH-UHFFFAOYSA-N 361.174 4.022 0 1 FIAF CCc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587162295 VCGLGSZLXRKJIU-UHFFFAOYSA-N 355.804 4.225 0 1 FIAF CC(C)OCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344013 BDSSRVPGYWWXDO-CTNGQTDRSA-N 358.409 4.464 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Br)ccc3C1)O2 587374889 ZUWLQYFFJZIRSG-IBGZPJMESA-N 372.262 4.233 0 1 FIAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C(F)(F)F 587381191 HHMDCQYVGUQVAF-GOSISDBHSA-N 365.351 4.485 0 1 FIAF CC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587382424 PQPCJEJGNVFLHI-GOSISDBHSA-N 363.335 4.046 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccc(F)cc3)c1C)O2 587383336 AWVKLENUKNLQRC-NRFANRHFSA-N 365.408 4.091 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(F)c4)nc1)[C@@H](C2)C3=O 587429528 VWRCPTSCLSADAC-HTAPYJJXSA-N 361.372 4.385 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)([C@H](C)c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587444015 RWCALHPVHJPJFI-KGFDFFDMSA-N 368.429 4.022 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](C[C@H]1CCCCC13OCCO3)CC2=O 587483445 FPNZZAQFZYCRLD-CABCVRRESA-N 360.450 4.002 0 1 FIAF O=C1C[C@@]2(CCCCC[C@@H]2Cn2cncn2)Oc2c1ccc1c2CCCC1 587516625 DLPZJILNEHBPSG-VGOFRKELSA-N 365.477 4.141 0 1 FIAF C[C@@H](Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(=O)O 587520527 DWENZNXXOOUXTD-XCLFUZPHSA-N 366.413 4.124 0 1 FIAF C[C@@]1(CC(=O)OCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521876 FFIFVCZYJGQBBZ-QHCPKHFHSA-N 364.441 4.423 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cl)c2N)N1 587691270 DRAXSGONZPZKRD-BCTVWOGZSA-N 369.665 4.447 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(Cl)n2)N1 587851704 ISDYCNXDPITPHI-QTTZVWFDSA-N 361.667 4.322 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccccn1 587857854 AVLNBBAZZACBIL-UHFFFAOYSA-N 362.216 4.339 0 1 FIAF COc1ccc(-c2ccc(-c3nc4cccc(O)c4[nH]3)c(O)c2)cc1OC 587925956 FYLBPBNXCAZOTH-UHFFFAOYSA-N 362.385 4.325 0 1 FIAF Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1ccnc(Br)c1 587940200 NJSYMPWPNFWOTL-UHFFFAOYSA-N 365.614 4.366 0 1 FIAF O=C(O)c1cc(Br)cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587960166 OKDPGPDYCSLBTK-AAEUAGOBSA-N 371.234 4.370 0 1 FIAF CCOC(=O)[C@H](CC)Cc1ccc(C(=O)NCc2ccccc2C)cc1 653793920 MMWPZEAWMUUIBU-GOSISDBHSA-N 353.462 4.057 0 1 FIAF COc1ccc(NC(=O)Nc2nc([C@H](N)C3CCCCC3)cs2)cc1 61902242 RTOADZFGZVEFHB-MRXNPFEDSA-N 360.483 4.376 0 3 FIAF COC(=O)C1=CC(=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC[C@@H](C)CC(=O)O 14619174 CDUCXJMEMPCZPY-LMCLWYTMSA-N 364.482 4.008 0 1 FIAF biogenic CCCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2c1 28458539 QKNZOYGNKKVSTN-UHFFFAOYSA-N 369.417 4.214 0 1 FIAF Clc1ccc(CSc2ncnc3c2cnn3Cc2cccnc2)cc1 28894695 WQXRSDNMKOWLSB-UHFFFAOYSA-N 367.865 4.215 0 1 FIAF CC(C)(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1 29134655 FVLUEICGTGFFBL-UHFFFAOYSA-N 360.517 4.250 0 1 FIAF c1ccc(CNc2nc(NCCN3CCCCC3)nc3ccccc23)cc1 45227749 XOZZRCFHTUEUFX-UHFFFAOYSA-N 361.493 4.140 0 1 FIAF CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1 49068355 CNTWBCWZOSQXHF-NRFANRHFSA-N 371.864 4.007 0 1 FIAF C=CC(=O)NC1=CC=C2N=CN=C(Nc3ccc(Oc4ccccc4)cc3)[C@@H]21 49552073 WDHFTVGVBNGSLV-NRFANRHFSA-N 370.412 4.031 0 1 FIAF CN(CC1CC1)[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(F)(F)F)cc1 58519804 KUVXOCFMCXAUHS-QZTJIDSGSA-N 368.443 4.430 0 1 FIAF CC(C)(N)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96174126 BVMOIUVSHIOEBE-UHFFFAOYSA-N 368.444 4.247 0 1 FIAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCN3CCCCC3)ccc12 103240648 HWMDKCFNQUBLQC-UHFFFAOYSA-N 365.429 4.030 0 1 FIAF CSc1nc2c(C)cccc2c(=O)n1-c1ccccc1Br 103285982 YLFGRCPRRPAWIY-UHFFFAOYSA-N 361.264 4.179 0 1 FIAF CCOC(=O)/N=c1/scc(Cl)n1-c1cccc(C(F)(F)F)c1 103293641 VAHNNKCPWVHJPX-WOJGMQOQSA-N 350.749 4.268 0 1 FIAF O=C1OC[C@H](c2cccc(N3CCCCC3)c2)N1c1ccc2[nH]cnc2c1 116195503 WWZUYLAZWSCSRE-HXUWFJFHSA-N 362.433 4.251 0 1 FIAF CC1(C)C(=O)Nc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc21 117622751 LEOUBWWDMKISSF-RXVVDRJESA-N 374.484 4.251 0 1 FIAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnc(Cl)n3)c2F)cn1 212159526 XKCBNXPXAXYDDK-UHFFFAOYSA-N 371.803 4.368 0 1 FIAF CC1=N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc21 473153345 AQTDFBIZOVQUMF-IBGZPJMESA-N 364.445 4.014 0 1 FIAF OCc1ccccc1-c1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 586894845 FLZCBRLFOWSOTO-UHFFFAOYSA-N 370.334 4.150 0 1 FIAF O=C1c2ccccc2-c2cc(-c3nccnc3Cl)nc3ccc(O)c1c23 586987542 YMIAKWKGNKFZCU-UHFFFAOYSA-N 359.772 4.262 0 1 FIAF CCCn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586988061 XGXSBCRGHZGYRG-UHFFFAOYSA-N 355.397 4.425 0 1 FIAF Clc1nccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587030103 XXCLYNIMGZYVCN-UHFFFAOYSA-N 366.837 4.133 0 1 FIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Cl)c(F)cc2[nH]1 587039476 FVHDSWSUPQGWLR-LBPRGKRZSA-N 357.838 4.338 0 1 FIAF CCOC(=O)[C@@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587097956 PLUCPVFOKLFSMT-ZDUSSCGKSA-N 357.409 4.033 0 1 FIAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587249625 CSUYIUOXPOGENZ-UHFFFAOYSA-N 356.429 4.181 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccnc(C(F)(F)F)c14)[C@@H](C2)C3=O 587419571 CWXKBYAOVODUDH-DYZYQPBXSA-N 374.318 4.079 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccccn1)[C@@H](C2)C3=O 587436213 ODEXZYKWSQPBKG-FDDCHVKYSA-N 373.408 4.158 0 1 FIAF CCOC(OCC)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587442470 XMOKFRCCIPZHMX-UTKZUKDTSA-N 368.429 4.256 0 1 FIAF COc1cccc2c1OCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587536548 VONMQIMBTTYTSS-JOCHJYFZSA-N 350.414 4.217 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(F)cc1 587570950 MXEAQOBZZPJAKJ-AZUAARDMSA-N 364.372 4.494 0 1 FIAF CC(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)no1 587588284 SEBQZQSEODCEGU-YLJYHZDGSA-N 351.358 4.207 0 1 FIAF COc1cccc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597370 YWYOKFIPNDDKMH-KNQAVFIVSA-N 362.381 4.412 0 1 FIAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccc(F)cc3)[nH]c12 587638598 OGHSCWHMZWFQCE-UHFFFAOYSA-N 351.255 4.417 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2Cl)N1 587705665 NOPKJPNORGUKDZ-ABKXIKBNSA-N 369.665 4.434 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(F)cc2Cl)N1 587732386 MEFGGNSDHVZLQU-KWKYVRJSSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)n[nH]2)N1 587796610 QGUYOEIZNIWJMV-JDNHERCYSA-N 366.278 4.232 0 1 FIAF COC[C@]1(C2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798204 YOPMSQJFPHJNBB-APPDUMDISA-N 356.279 4.154 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)CC2 587937751 MTUMXELTHXXKLB-NSHDSACASA-N 358.344 4.166 0 1 FIAF O=c1cc(COc2cccc(F)c2)nc2scc(-c3ccccc3)n12 621431069 JRIQNUCLBNTZDR-UHFFFAOYSA-N 352.390 4.141 0 1 FIAF CCOC(=O)[C@@H]1CC[C@@H](c2ccccc2)[C@@]12NCCc1cc(C)c(F)cc12 962374566 LFIPYOXZGIKHJC-SFYKDHMMSA-N 367.464 4.232 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1cccc(OC(C)C)c1)N(C)[C@H](C)C2 962639425 QBYVBWICYGAUFB-QRQCRPRQSA-N 355.478 4.457 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2nc3cc(F)c(F)cc3[nH]2)N1 962947474 NNABZEFLXGVANP-APBUJDDRSA-N 352.388 4.336 0 1 FIAF Fc1cc(Br)cnc1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963104449 UKCZHCCFHIIHTF-SJCJKPOMSA-N 365.221 4.232 0 1 FIAF O=C(O)c1cccc2c1CCN[C@H]2c1ccc(-c2ccc(F)cc2)s1 963135146 XCNLPZHUASRYIU-LJQANCHMSA-N 353.418 4.488 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1cc(OC)cc(C(=O)OC)c1 963226884 IFJNVONOQLGIOD-QVKFZJNVSA-N 353.462 4.228 0 1 FIAF CN(C(=O)c1ccc(OC(F)F)c(OC2CCCC2)c1)c1ccccn1 1772593518 OQLMYYNLLBOIRO-UHFFFAOYSA-N 362.376 4.281 0 1 FIAF Oc1ccc(-c2cnc3cnc(-c4cnc(-c5ccccc5)o4)cn23)cc1 2382241103 NGXAZFUTCVDZCL-UHFFFAOYSA-N 354.369 4.424 0 1 FIAF Cc1ncsc1C(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 14976104 HDJSSVRZKVZBLT-GOSISDBHSA-N 364.470 4.340 0 3 FIAF CC1=NN(c2ccccc2)[C@H](c2ccc(OCC(=O)N3CCCC3)cc2)C1 4185105 CATFNBJDARSYGR-NRFANRHFSA-N 363.461 4.015 0 1 FIAF CCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CC(CC(C)C)CC(C)C 40829091 IXUZVMZALUDEAD-YVGKDXFMSA-N 355.563 4.059 0 1 FIAF CN(C)CC[C@@]1(c2cccc(Br)c2)Cc2ccccc2C(=O)O1 53229999 CSVLCEPTAKAUNR-IBGZPJMESA-N 374.278 4.009 0 1 FIAF O=c1c(NCCc2c[nH]c3ccccc23)nccn1-c1cccc(Cl)c1 71928051 FWDOGUMDFRQAHG-UHFFFAOYSA-N 364.836 4.022 0 1 FIAF CC[C@H]1CC[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]12C 72283420 KALKYGUMGKJBQP-JLTFKRJCSA-N 363.523 4.151 0 1 FIAF CC1=CC(=O)O[C@@H]2C=C(OCCOc3ccc(C(C)(C)C)cc3)C=C[C@@H]12 96915549 JXSDWFXCOLPHSF-VQTJNVASSA-N 354.446 4.321 0 1 FIAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 101152249 BCHOSNDXBYSKLO-AERCQKQUSA-N 350.462 4.455 0 1 FIAF CC(C)n1cnc2c(Nc3cccc(-c4ncccn4)c3)nc(Cl)nc21 103197176 FLJYQCQKUPDJCC-UHFFFAOYSA-N 365.828 4.261 0 1 FIAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1)c1ccccc1 142138405 RARVJANBOPOITE-LPHOPBHVSA-N 374.444 4.218 0 1 FIAF CCOC(=O)[C@@H]1C(C)=Nc2ccnn2[C@@H]1c1cccc(Cl)c1Cl 169720812 XHYVJINZHMDNGX-UKRRQHHQSA-N 352.221 4.065 0 1 FIAF Cc1cn(Cc2cc3c(cc2Cl)OCO3)c2cc(CC(=O)O)ccc12 205665778 VTJVPTHADLRMSL-UHFFFAOYSA-N 357.793 4.007 0 1 FIAF Cc1cc2c(c(O)c1Br)C(=O)[C@@H](O)[C@]1(C)CC[C@H](C(C)C)[C@H]21 211330002 MONXESXAQNTQLQ-INVWZJSISA-N 367.283 4.176 0 1 FIAF O=C1Nc2ccccc2/C1=C/c1coc2ccc(Br)cc2c1=O 299823859 ACIVDDKOOVHSGS-QPEQYQDCSA-N 368.186 4.048 0 1 FIAF CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(F)c1 299856355 BOUSYVRMDABSNL-QYWGDWMGSA-N 373.468 4.204 0 1 FIAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586908553 RVXSOADKAMJATP-QMMMGPOBSA-N 352.287 4.302 0 1 FIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(C(N)=O)cc2[nH]1 587013735 BQKDCYJGWOTMHV-UHFFFAOYSA-N 368.849 4.414 0 1 FIAF CC(=O)c1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587029350 MTFFWGTUZVIFBN-UHFFFAOYSA-N 373.441 4.287 0 1 FIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Cl)cc4[nH]3)cc2N1 587127305 WGVSVLDNFJQEST-KRTXAFLBSA-N 355.751 4.387 0 1 FIAF N[C@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)c1ccc(F)cc1F 587150155 KNYFYUKOHJQHRF-IBGZPJMESA-N 363.367 4.120 0 1 FIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(F)cc(Br)c2[nH]1 587163208 IOBFKZMUFBDUSJ-HNNXBMFYSA-N 366.209 4.255 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(Cl)nc2[nH]1)C1CCCC1 587227167 VUHOXDJXRJPICH-ZDUSSCGKSA-N 350.850 4.367 0 1 FIAF COc1ccccc1Nc1ccccc1-c1nc2cnc(Cl)[nH]c-2n1 587241264 SAKPHLJHDXNJQX-UHFFFAOYSA-N 351.797 4.377 0 1 FIAF COC(=O)Nc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 587243221 GMRBBKNPVQFOIA-UHFFFAOYSA-N 364.174 4.310 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNc3ccc(Br)cc31)O2 587374895 ZWKNVLHYARENDO-GOSISDBHSA-N 373.250 4.016 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(F)c1Br)O2 587382857 UWTAITZJSXIHJI-AWEZNQCLSA-N 350.187 4.185 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@H](C1)N3Cc1ccccc1)O2 587402134 YWFPMYIFHCQSDR-NHJWOMDBSA-N 362.473 4.108 0 1 FIAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1OC 587423131 SFZUBSIRGMZKJS-BFUOFWGJSA-N 374.820 4.245 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cnn3C)cc1F)CC2=O 587471965 NMPKGOHKSGYZSY-IBGZPJMESA-N 354.381 4.077 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2sc(=N)[nH]c21 587495556 PAAGPZURMXISLG-HXUWFJFHSA-N 372.490 4.047 0 1 FIAF COC(=O)C[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501104 FNDCYOBBPUSLCH-JOCHJYFZSA-N 368.404 4.128 0 1 FIAF COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](N=O)C2 587506945 PBLFXYOSLXXWQR-RBBKRZOGSA-N 363.413 4.126 0 1 FIAF CCOC(=O)[C@]1(C2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587525174 SSZBNLZPQNUWRU-JOCHJYFZSA-N 356.462 4.413 0 1 FIAF C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566927 CDDMVXLKUIXWPF-WIYYLYMNSA-N 350.345 4.408 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCOC1CCCC1 587602469 XZEPEXINRIHOGC-IEBWSBKVSA-N 354.402 4.072 0 1 FIAF CC(=O)Nc1ccc(O)c(-c2[nH]c3c(C)cc(Cl)cc3c2CC(=O)O)c1 587626405 GLAJXLKVUCDYAO-UHFFFAOYSA-N 372.808 4.088 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc(Cl)c2)N1 587702549 DOUJUSGWWCTTHI-XXFAHNHDSA-N 369.665 4.434 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2F)N1 587721424 VHNMGZXFSJIQTH-PWJLMRLQSA-N 354.194 4.057 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3o2)N1 587779743 VPKJMUZGQRHKPU-ABKXIKBNSA-N 361.214 4.353 0 1 FIAF CCC[C@]1(C2CCNCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793763 LBOHXMCAJPXBHB-KPZWWZAWSA-N 369.322 4.117 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2CC2)(C2CC2)N1 587815205 KQOATLJUILKFFR-YPMLDQLKSA-N 366.274 4.097 0 1 FIAF COc1ccc(-c2ccc(-c3nc4c(C)ccnc4[nH]3)c(O)c2)cc1OC 587927591 RYRBLGZNVLVJNK-UHFFFAOYSA-N 361.401 4.323 0 1 FIAF COc1ccc(/C=C/Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c(OC)c1 587929745 PKXOIQYBNXKMCW-ONEGZZNKSA-N 363.339 4.250 0 1 FIAF Cc1cc(=O)oc2cc(OCC(=O)c3ccccc3C(F)(F)F)ccc12 653730150 AMRJRQXPAFWTPV-UHFFFAOYSA-N 362.303 4.382 0 1 FIAF CCN[C@@H](C)[C@]1(c2ccccc2)c2cc(OC)ccc2CCN1C(C)C 962095456 YTHAFQXKXZJYFB-MBSDFSHPSA-N 352.522 4.203 0 1 FIAF COc1cc2c(cc1OC)[C@](c1ccc(N)cc1)(C1CCC1)N(C)[C@@H](C)C2 962621225 IQGHZONSNRHZDS-NPMXOYFQSA-N 366.505 4.206 0 1 FIAF Cc1ccc(C)c([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1 962706919 JWGJUNSPAMUZFP-IAGOWNOFSA-N 367.342 4.150 0 1 FIAF CN1CCc2c(Br)cccc2[C@H]1c1cccc(O)c1Cl 963279312 GTSREULRSDYRGK-INIZCTEOSA-N 352.659 4.385 0 1 FIAF O=C(Nc1ccnc(C(F)(F)F)c1)Nc1ccnc(C(F)(F)F)c1 1857760561 YKZAODOGKWMXAC-UHFFFAOYSA-N 350.222 4.158 0 1 FIAF CCOC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)c2ccccc2)C=C1C 2356318323 GHHRBUZDFCHYTF-XUVXKRRUSA-N 357.494 4.224 0 1 FIAF Cc1cc2c(c(O)c1Br)C(=O)[C@H](O)[C@]1(C)CC[C@H](C(C)C)[C@@H]21 2356634813 MONXESXAQNTQLQ-DWTDUGSWSA-N 367.283 4.176 0 1 FIAF CCOc1ccccc1C=C[C@@]12NC(=O)CN1c1ccc(C)cc1C2(C)C 2356744860 MTHPSJXMLNEZBU-HSZRJFAPSA-N 362.473 4.031 0 1 FIAF COc1cccc(NC(=O)[C@]2(C)CCN2Cc2ccc3ccccc3c2)c1 61904953 RJGTZJHHWNVPFP-QHCPKHFHSA-N 360.457 4.452 0 3 FIAF CCOc1cc(CCNC(=O)c2cc3sccc3n2CC)ccc1OC 198397443 ALEPBQHLRSQMGY-UHFFFAOYSA-N 372.490 4.103 0 3 FIAF Cc1ccc([C@]2(Cn3ccnc3)OC[C@H](c3ccc(Cl)cc3)O2)cc1 28768458 YEFXQLLIGSJVJU-WOJBJXKFSA-N 354.837 4.486 0 1 FIAF CN1CCN(C2=Nc3ccccc3CC=C2c2ccc(Cl)cc2)CC1 40503897 OVGVSLFMWGZBJP-UHFFFAOYSA-N 351.881 4.257 0 1 FIAF CN1CCN(C2=Nc3ccccc3CC=C2c2ccccc2Cl)CC1 40641474 JWTINIUKOKFIKU-UHFFFAOYSA-N 351.881 4.257 0 1 FIAF CC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1 43122554 ZQIADMORWXCKPH-UHFFFAOYSA-N 363.505 4.242 0 1 FIAF CCC[C@@H](CO)NCc1coc2cccc(OCC3CCCCC3)c2c1=O 53296722 DQVUPVCVAHATEA-SFHVURJKSA-N 373.493 4.003 0 1 FIAF CCOCCN(CCC1CCCCC1)C(=O)NCCCc1ccncc1 58603014 YYZBTFDHNCNAHK-UHFFFAOYSA-N 361.530 4.033 0 1 FIAF OCCCCNc1cncc(Oc2cccc(Nc3ccccc3)c2)n1 82068617 QZAISGKJUIERTK-UHFFFAOYSA-N 350.422 4.197 0 1 FIAF CCOC(=O)c1cc(Cc2ccc(Cl)cc2)c(=O)[nH]c1-c1ccccc1 84671643 VPPOOMYUHVKNGV-UHFFFAOYSA-N 367.832 4.463 0 1 FIAF O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4cc[nH]c4)c3)cccc12 101172247 CZGJBGZAXDTRPE-UHFFFAOYSA-N 372.424 4.292 0 1 FIAF COc1cc(-c2ccc3ncnc(Nc4ccccc4O)c3c2)ccc1O 143096055 AOGQDMUHHOXPLR-UHFFFAOYSA-N 359.385 4.460 0 1 FIAF CSc1nn(-c2ccccc2)c2cc(NC(=O)Cc3ccncc3)ccc12 150090978 LKEMMVQHQRUAAR-UHFFFAOYSA-N 374.469 4.324 0 1 FIAF O=C1c2ccccc2-c2cc(-c3cc(O)cc(O)c3)nc3ccc(O)c1c23 586991753 PWAVHHVLWFAESA-UHFFFAOYSA-N 355.349 4.230 0 1 FIAF COC(=O)c1cc(Cl)c2nc(-c3ccc(Br)o3)[nH]c2c1 587007769 PARCZHRSTFOEMI-UHFFFAOYSA-N 355.575 4.025 0 1 FIAF Cc1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2n1 587031840 PTRMKUMGFDAMDL-UHFFFAOYSA-N 359.252 4.493 0 1 FIAF COC(=O)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587049486 LYMPNXMQKSLDGC-IUCAKERBSA-N 362.216 4.322 0 1 FIAF CC(C)[C@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)N(C)C(=O)OC(C)(C)C 587198012 RJRVTSAURCAGLZ-QGZVFWFLSA-N 372.469 4.012 0 1 FIAF C[C@@]1(C2(O)CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348873 DYLJSRFCHLEHBU-PZJWPPBQSA-N 370.420 4.344 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1nc4c(s1)CC(C)(C)CC4)[C@@H](C2)C3=O 587450101 DKRVJNFGUYFCAZ-KPZWWZAWSA-N 355.459 4.155 0 1 FIAF O=C1C[C@](c2cccnc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587514638 ITJVTQOBFYIOBY-QHCPKHFHSA-N 356.425 4.264 0 1 FIAF COC(=O)C[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525760 RVLQBVUAGNVQGU-QHCPKHFHSA-N 364.441 4.075 0 1 FIAF CCCCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587588719 LFBHZNFDUBDAPP-RXVVDRJESA-N 364.401 4.161 0 1 FIAF CCCN1C(=O)[C@@](O)(c2c(C)[nH]c3ccc(F)c(Cl)c23)c2ccccc21 587632511 XTKKIYZLBCHBMA-FQEVSTJZSA-N 372.827 4.261 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C(C)(C)C)c2)N1 587760048 NURAOWSFOWVOPI-QFYYESIMSA-N 366.278 4.163 0 1 FIAF C[C@H]1CC(C)(C)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587822267 JOIBFHAOVUEZKH-CSJMPQKXSA-N 368.290 4.343 0 1 FIAF COc1ccc(-c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1OC 587928471 FZLNIHKSSZIZBQ-UHFFFAOYSA-N 373.412 4.013 0 1 FIAF CCc1ccc2c(c1)CC[C@]21c2c(ccc(OC)c2OC)C[C@H](C)N1C 962640212 ZGPZJTUZBSHLBL-NPMXOYFQSA-N 351.490 4.332 0 1 FIAF COc1ccc(CCN=c2[nH]nc(-c3ccccc3)c3ccccc23)cc1 1857543976 JANBQMJWCBWJKS-UHFFFAOYSA-N 355.441 4.382 0 1 FIAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@H]2C(=O)CC[C@H](C)[C@]12C 2356619282 ZHYSGQLQAZCSGC-OGZTZCPUSA-N 360.450 4.197 0 1 FIAF CC(=O)O[C@@H]1C(=O)C[C@]2(C)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@H]2C1(C)C 2356802622 SMKCOMIUBIKXNU-UWRIJYQHSA-N 358.478 4.447 0 1 FIAF CC[P@](=O)(OC)c1ccc2oc(-c3ccnc(OC(F)F)c3)nc2c1 2382257757 XWLQZIWKAASSDY-VWLOTQADSA-N 368.276 4.061 0 1 FIAF O=C(O)CCCCCCCCc1cn(CCc2c[nH]c3ccccc23)nn1 15937306 ITQJRHAOLXNMPN-UHFFFAOYSA-N 368.481 4.360 0 3 FIAF COc1cccc(-c2nc(-c3cnccn3)n(C/C=C/c3ccccc3)n2)c1 1635127 VZUSDZMVJPHHHA-RMKNXTFCSA-N 369.428 4.124 0 1 FIAF CCC(=O)c1cc(C(=O)C(=S)SC)cc(C(=O)C(=S)SC)c1 1648065 RHXJKHMQVJWPIB-UHFFFAOYSA-N 370.542 4.026 0 1 FIAF COc1cccc2c(C[C@H](C)NC[C@@H](O)c3cccc(Cl)c3)c[nH]c12 13488822 YJSBONOKYYPFLW-SCLBCKFNSA-N 358.869 4.084 0 1 FIAF CCn1c2c(c3ccc(OC(C)=O)cc31)CCc1cc(OC(C)=O)ccc1-2 27304368 IFIOPDLFNVKKIR-UHFFFAOYSA-N 363.413 4.277 0 1 FIAF CCc1cc(C2=NCCO2)cc(C)c1OCCCCCc1cc(C)no1 28759559 TZBUIPPGJLRTCG-UHFFFAOYSA-N 356.466 4.422 0 1 FIAF Cc1ccc([C@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3)O2)cc1 28766074 KKNGDXTXRQOVRK-WOJBJXKFSA-N 354.837 4.486 0 1 FIAF O=c1c2cc(F)ccc2nc(/C=C/c2ccccn2)n1-c1ccccc1F 29481930 NKLRLPLSEJDIIC-PKNBQFBNSA-N 361.351 4.229 0 1 FIAF CN(C)c1cccc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)c1 34338422 COGXEORJSOQOLI-UHFFFAOYSA-N 372.428 4.187 0 1 FIAF Nc1nc2c(c(Nc3cccc(Br)c3)n1)-c1ccccc1C2 59114682 QVKUVEHRSYCMGZ-UHFFFAOYSA-N 353.223 4.136 0 1 FIAF O=C(OC1CCCCC1)C(Br)(C(F)(F)F)C(F)(F)F 68573922 PBBJIRZFSXDOPN-UHFFFAOYSA-N 357.088 4.121 0 1 FIAF biogenic O=C(C1CCC1)N1CCC[C@@H]1c1c[nH]c(-c2cccc(Cl)c2)cc1=O 72175808 HFXLKMDYPFMMCB-GOSISDBHSA-N 356.853 4.159 0 1 FIAF COc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1CC2 100620750 IETKKGQMIGSURM-SIKLNZKXSA-N 360.457 4.288 0 1 FIAF O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1C[C@@H]1CCCNC1 101668855 RPCSWDCGTNITFL-MRXNPFEDSA-N 357.457 4.149 0 1 FIAF CCC(=O)C[C@@H]1c2ccccc2N=C(n2ccnc2)N1c1ccc(F)cc1 103176606 KMIYBIZAONFAOE-HXUWFJFHSA-N 362.408 4.489 0 1 FIAF CCOC(=O)c1ccc(NC(=O)Nc2nc3ccc(F)cc3s2)cc1 148150296 GVYUYGGJBOPNPO-UHFFFAOYSA-N 359.382 4.256 0 1 FIAF COc1cc2c(c3c1C(=O)C[C@@H](c1ccc(O)cc1)O3)CCC(C)(C)O2 196372089 XGZCWMKNENVCAI-INIZCTEOSA-N 354.402 4.211 0 1 FIAF in-vitro COc1cc(C(=O)NC2(c3ccccc3Cl)CC2)ccc1-c1cn[nH]c1 213990676 PPHSCZQMXMHEGU-UHFFFAOYSA-N 367.836 4.158 0 1 FIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(F)c(F)cc3[nH]2)cs1 587019472 OGIBDJRXFYLREG-UHFFFAOYSA-N 366.393 4.235 0 1 FIAF CC(C)(C)c1cccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 587034317 HNHXEPHCXNCCEP-UHFFFAOYSA-N 353.491 4.341 0 1 FIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(O)c4[nH]3)c2C1 587035782 YPKLQQAERWKQHA-UHFFFAOYSA-N 371.462 4.290 0 1 FIAF Cc1c(Br)cnc2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c12 587072250 PQSAUYVNEAJMPH-UHFFFAOYSA-N 364.630 4.108 0 1 FIAF COc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Cl 587233547 SBLPXFQRZPGROK-JQWIXIFHSA-N 365.861 4.386 0 1 FIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(CCO)cc3[nH]2)c1 587241419 CEWAXSLJYJITTJ-UHFFFAOYSA-N 351.450 4.139 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(=O)OC(C)(C)C)c1)O2 587400794 OVAWUMKNKLDDCW-GOSISDBHSA-N 353.418 4.239 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(Br)cc1C)O2 587409159 GVNXQCXFXQOWSH-LBPRGKRZSA-N 352.253 4.416 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nc3sc4ccccc4n13)O2 587414108 KKPVHGNLFWMDJF-MRXNPFEDSA-N 363.442 4.455 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587418794 CTGOOHWVNLPUOW-GUYCJALGSA-N 352.283 4.342 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3cnn(C)c13)CC2=O 587475082 JBIPKDVBRIYOAI-NRFANRHFSA-N 350.418 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(OC)ccc3C1)CC2=O 587477666 ICTYYDDKNMCCPY-QFIPXVFZSA-N 352.430 4.246 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(COC(C)=O)cs1)CC2=O 587496368 WSGNDNDCGJSATA-HXUWFJFHSA-N 374.458 4.350 0 1 FIAF O=C1C[C@@H](c2ccncc2Br)Oc2c1ccc1c2CCCC1 587500803 YDQRFGJYZPSDSG-KRWDZBQOSA-N 358.235 4.429 0 1 FIAF CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587528607 COFXLRSEUGASIO-RWGOJESNSA-N 354.446 4.180 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2N)N1 587693826 FTKHWNHVEWCSRH-BCTVWOGZSA-N 369.665 4.447 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nn(C)cc3c2)N1 587756404 DKAGABXNEWWCOB-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCC[C@@H](C)C2)N1 587760475 KKIYAKFQKSFTKB-FHSNZYRGSA-N 369.322 4.070 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3cccnc3c2)N1 587779517 SYZYRTXVTYZBRL-MGNBDDOMSA-N 372.241 4.155 0 1 FIAF COc1cc(C2(c3nc4c(C)c(Br)cnc4[nH]3)CC2)ccc1C 587926451 ZTXNRCNMVXSFJQ-UHFFFAOYSA-N 372.266 4.426 0 1 FIAF COc1ccc(-c2cccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2C)c(OC)c1 587931075 YVALJXIEGIXFEF-UHFFFAOYSA-N 360.417 4.030 0 1 FIAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 1772574186 NMPYWXGKSPVWML-MGPUTAFESA-N 372.896 4.237 0 1 FIAF Cc1cc(Cl)cc(C(=O)N2CCc3oc(-c4ccc(F)cn4)nc3C2)c1 1772586267 NMKCKZQPMUTSIC-UHFFFAOYSA-N 371.799 4.036 0 1 FIAF O=c1c(-c2ccccc2)c[nH]c2c(-c3cccc(C(F)(F)F)c3)cnn12 1772617491 ZFRKESCLVQDZNP-UHFFFAOYSA-N 355.319 4.375 0 1 FIAF CCCCCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@@H]1CCCCCC(=O)O1 2356439539 USJVWURFAMIZKS-SSTJLMRISA-N 364.526 4.303 0 1 FIAF O=c1ccc(-c2ccc3c[nH]nc3c2)cn1Cc1ccc(C(F)(F)F)cc1 2382216500 MANSWFPISOOZGZ-UHFFFAOYSA-N 369.346 4.459 0 1 FIAF CNCCN=c1cc(/C=C/c2ccc(F)cc2)[nH]c2ccc(Cl)cc12 2382219143 KBJGSEXSXMECOQ-XBXARRHUSA-N 355.844 4.251 0 1 FIAF COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1 66166950 RTIGBOQZDVBXCO-UHFFFAOYSA-N 356.809 4.304 0 3 FIAF C[C@@]1(c2nc3ccccc3[nH]2)c2ccccc2C(=O)N1Cc1ccccc1 95599731 YRVZUNSLVDBQOR-QHCPKHFHSA-N 353.425 4.482 0 3 FIAF CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 775720 NZHAXUQUVCJAEG-HNNXBMFYSA-N 366.461 4.293 0 1 FIAF CCCCCC(=O)OC[C@]1(CO)C/C(=C/CC(C(C)C)C(C)C)C(=O)O1 5972986 BWJOJZPMFILAAD-SYEXPRJDSA-N 368.514 4.033 0 1 FIAF O=C1Cc2ccccc2N1C1CCN([C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 13561286 UXEWRPZUKRZGHB-RBDMOPTHSA-N 352.522 4.399 0 1 FIAF COc1cccc(-c2n[nH]c(Cc3ccc(Cl)c(Cl)c3)n2)c1OC 13589635 ULXXHFJKLONVEQ-UHFFFAOYSA-N 364.232 4.387 0 1 FIAF COC(=O)c1cccc2c1nc(Nc1c(C)cccc1Cl)c1cncn12 26569380 CJZVMFCILGQCIJ-UHFFFAOYSA-N 366.808 4.375 0 1 FIAF O[C@](Cn1cccn1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 26847285 IUHJNFXNKFLZJU-QFIPXVFZSA-N 359.404 4.020 0 1 FIAF COc1cc2ncnc(Nc3ccc(C)c(Br)c3)c2cc1OC 32540722 HISRNMUDDNLWIS-UHFFFAOYSA-N 374.238 4.462 0 1 FIAF O=C(CCc1ccc(-c2ccccc2O)cc1)Nc1ccccc1C(=O)O 35858614 IINTXSJQQOWVCT-UHFFFAOYSA-N 361.397 4.329 0 1 FIAF CCC[C@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 40374170 CWLFBVVMPWYBAR-UFONIEFXSA-N 367.533 4.369 0 1 FIAF COC(=O)c1ccc(N2N=NN[C@H]2SC23CC4CC(CC(C4)C2)C3)cc1 45370684 QFBWAJPUKGRBKP-HPXCNGPASA-N 372.494 4.151 0 1 FIAF COC(=O)c1cccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1C 59185391 GXXHLISSKGUAKM-UHFFFAOYSA-N 371.392 4.245 0 1 FIAF CCC(=O)Nc1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)n1 66111769 BJUGBOOQTXGLKA-UHFFFAOYSA-N 363.417 4.176 0 1 FIAF Cc1ccc2c([C@H]3Cc4ccccc4N3C(=O)/C=C\C(=O)O)c(C)[nH]c2c1 102933599 ICPQBEJQAPCPHR-ZBTAVZRMSA-N 360.413 4.056 0 1 FIAF C[C@H]1CC[C@@H]2CC(=O)O[C@H]([C@@H]3C(=O)O[C@@H](C4=CCCC4)[C@H]4[C@@H](C)CC[C@@H]43)[C@@H]12 169301074 PNQRQHZSONLAAC-MNRPTYCMSA-N 372.505 4.278 0 1 FIAF CC(=O)c1ccc(OCc2ccccn2)c(-c2ccc3c(c2)CCNCC3)c1 205448474 SMCVDPXIAQLLPB-UHFFFAOYSA-N 372.468 4.218 0 1 FIAF O=C(Nc1cc(Cl)cc(Cl)c1-c1ccccc1)NC1(C(=O)O)CC1 218428553 JSFFCHMELRJRQJ-UHFFFAOYSA-N 365.216 4.399 0 1 FIAF COc1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2n1 587004410 RZZPKYBWRBSMHR-UHFFFAOYSA-N 358.195 4.451 0 1 FIAF Cc1onc(-c2nc3ncc(F)cc3[nH]2)c1COc1ccccc1Cl 587062968 FGIRDZNRISHPRZ-UHFFFAOYSA-N 358.760 4.293 0 1 FIAF Cc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1F 587182052 CRDHKXBZWPZVFP-UHFFFAOYSA-N 370.140 4.421 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc4ccc(C(C)=O)nc14)[C@@H](C2)C3=O 587435889 JYNOBYUHQOSXAM-SBUREZEXSA-N 373.408 4.109 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CC4(CCCC4)Oc4ccccc41)[C@@H](C2)C3=O 587454098 RPKHJKDIDMPMLU-GAJHUEQPSA-N 362.425 4.433 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C(C)=O)(c1ccc(Cl)cc1)CC2=O 587458621 BARZRIXZRXVCAU-HXUWFJFHSA-N 358.821 4.448 0 1 FIAF Cc1[nH]nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Br 587502307 KMAVEUDCZYYVRG-AWEZNQCLSA-N 361.239 4.066 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccc(O)cc12 587586098 BBXAAZQORTWFPC-UGKGYDQZSA-N 373.364 4.282 0 1 FIAF CC(C)[C@@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587742820 UDPANTXVANCADU-GLNQTNNCSA-N 355.295 4.049 0 1 FIAF Cc1cccc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn12 587774676 NTFPVLHJHCCPHJ-YPMLDQLKSA-N 374.257 4.168 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCOC3)CC2)N1 587834628 LTGOYPFTUDGSFG-RGZNSWCXSA-N 368.290 4.298 0 1 FIAF CCOC(=O)c1ccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 587931181 RGZBCVQLPVUFHT-BTYIYWSLSA-N 350.418 4.193 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1nc3ccc(Cl)cc3[nH]1)N(C)[C@@H](C)C2 962568687 LFNNUNAPLJMVPP-WLRWDXFRSA-N 371.868 4.199 0 1 FIAF C[C@@]1(COc2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962693462 CMKHCOAMLHQRHH-HRAATJIYSA-N 357.494 4.484 0 1 FIAF CN(C)CCCN=c1[nH]c(/C=C/c2cccs2)nc2ccc(Cl)cc12 1857556431 VDKLCEYLXXDCLA-VQHVLOKHSA-N 372.925 4.301 0 1 FIAF Cc1c(C(=O)Nc2ccc3ccccc3n2)sc2c(C(N)=O)cccc12 1857570939 CFPVJIVZXOYSNN-UHFFFAOYSA-N 361.426 4.109 0 1 FIAF CCOc1ccc(-c2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1 1857571968 ILOAKJUXOPHNSC-UHFFFAOYSA-N 354.406 4.168 0 1 FIAF CC(=O)Nc1ccc([C@H](Nc2cccc3ccccc23)P(=O)(O)O)cc1 1857655032 DCDIYCNYBVLTJK-LJQANCHMSA-N 370.345 4.087 0 1 FIAF CCCCCC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)OC 2356313400 XTTJWWYYCJFEAQ-WOJBJXKFSA-N 350.499 4.247 0 1 FIAF CCCCCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@@H]1CCCCCC(=O)O1 2356439541 USJVWURFAMIZKS-ZPAWYTMASA-N 364.526 4.303 0 1 FIAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356533402 CUBPKSUGCMULEZ-CDYOMGGJSA-N 350.458 4.286 0 1 FIAF COc1ccc(Cl)cc1N1C(=O)[C@H]2CCCN2[C@@H]1c1sccc1C 49669369 KGDQRWDMFNBNTH-DYVFJYSZSA-N 362.882 4.228 0 3 FIAF O=C(Nc1cccc(F)c1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205707995 FIHBDTLXUJBOIX-JNAXZKDPSA-N 360.429 4.088 0 3 FIAF C[C@@]1(CN2CCCC2)CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 13449311 HQWIOXIOBQOQJB-IBGZPJMESA-N 369.336 4.403 0 1 FIAF CN(CCc1ccc2c(c1)OCO2)C[C@@H]1CC[C@H]2CCOc3cccc1c32 13761411 NXQMDHCUAYGGFA-ROUUACIJSA-N 365.473 4.333 0 1 FIAF CC(=O)Oc1c(Cl)cccc1C(=O)Nc1ccc(Br)cc1 28863600 YMQZZZQQSLRKJM-UHFFFAOYSA-N 368.614 4.280 0 1 FIAF O=C(Cc1cccc2sccc12)N1C[C@@H]2CCCN2[C@@H]2CCCC[C@H]21 29396684 MZFRACSRDGXGRX-QXAKKESOSA-N 354.519 4.062 0 1 FIAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(-c2ccccc2)s1 34282165 OYFCHBMDEACELF-ZPMCFJSWSA-N 363.482 4.463 0 1 FIAF Cc1ccc(N2CCc3ncnc(NCc4ccc(Cl)cc4)c3C2)nc1 36520244 DLHPMQWXJJUYJE-UHFFFAOYSA-N 365.868 4.008 0 1 FIAF COc1cc2c(cc1OC)-c1[nH]nc(NCc3ccc(Cl)cc3)c1C2 45287496 HNLHGHBNWZKUBS-UHFFFAOYSA-N 355.825 4.264 0 1 FIAF COc1ccc2[nH]cc(CN3CCc4cc(Br)ccc4C3)c2c1 71332273 PAAGDNPGWLYLLT-UHFFFAOYSA-N 371.278 4.497 0 1 FIAF O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccn1 72113813 QGRNVPBTWMWTKA-UHFFFAOYSA-N 361.999 4.496 0 1 FIAF O=C(NCc1ccccc1)[C@H]1CCCc2c1c1ccccc1n2CCF 82154404 RVLOQSVTINRGFX-SFHVURJKSA-N 350.437 4.347 0 1 FIAF CO[C@@H]1C[C@H]2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 100878406 DRRFJWRBSWXNFW-XRXFAXGQSA-N 373.443 4.321 0 1 FIAF CCCCCC[S@](=O)C[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101364295 DXUUKSQGPDLBMH-YDLNNZLUSA-N 370.555 4.310 0 1 FIAF O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc4c(c3)OCO4)nc2c1 144369503 PLVDQGVVEUYAEF-UHFFFAOYSA-N 370.364 4.391 0 1 FIAF COc1cccc2oc(-c3cnc4ccc(OCCCSC)nn34)cc12 221137451 BRMQJERPCBXXKN-UHFFFAOYSA-N 369.446 4.283 0 1 FIAF Ic1ccc(CNC23CC4CC(CC(C4)C2)C3)s1 225177300 QITUPDLVVGQQTA-UHFFFAOYSA-N 373.303 4.411 0 1 FIAF CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@](C)(O)[C@H]2CC/C(C)=C/CO)C1(C)C 238744267 CLXJESZSIVHFGY-AHXVHLQCSA-N 366.542 4.240 0 1 FIAF Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NC(C)(C)C)nc1 299822745 DFKBVNMVHNPRLR-UHFFFAOYSA-N 362.437 4.274 0 1 FIAF Cc1ncc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C)c1Br 586979013 NZLYGEHIINRKSO-UHFFFAOYSA-N 371.160 4.418 0 1 FIAF COc1ccc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(F)c1 587148178 DSOXKLWOOSDMEB-UHFFFAOYSA-N 362.408 4.133 0 1 FIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cncc(C)c3[nH]2)c(O)c1 587240866 QKIMMJKUIPSRTI-UHFFFAOYSA-N 372.428 4.129 0 1 FIAF CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)c(C)c1 587366153 KPUHIEQVLAOMKI-UHFFFAOYSA-N 374.238 4.126 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)c1ccc(C(F)(F)F)cc1)O2 587381476 JOADAHJGWRECND-GOSISDBHSA-N 363.335 4.203 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(=O)O)c1Cl)CC2=O 587459125 BVGRYRKVCAZWPT-INIZCTEOSA-N 360.793 4.403 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587823116 OHEJDOQXHYOXJB-KQYVJACZSA-N 368.290 4.487 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)N1 587826709 IPKAWKLLMZXUDW-IVBZOTBRSA-N 350.275 4.384 0 1 FIAF CCC[C@@H]1C[C@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587836306 ZWHIBKQGZAANST-NDGTYSDOSA-N 356.279 4.297 0 1 FIAF COc1ccsc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587844092 MBGSXOMJKWFYFA-RMLUDKJBSA-N 356.260 4.282 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2C=O)N1 587848125 ZSXILGCSKOVWQT-RMLUDKJBSA-N 354.244 4.086 0 1 FIAF Cc1c(C)c(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O 587945944 PRIGJTKSAICWKQ-UHFFFAOYSA-N 365.408 4.102 0 1 FIAF CCOC(=O)[C@@H](CC)Cc1ccc(C(=O)NCc2ccccc2Cl)cc1 653793240 NPOMDQNTYQQTNG-INIZCTEOSA-N 373.880 4.402 0 1 FIAF CC(=O)Oc1ccc([C@H]2c3cc(OC(C)=O)ccc3C[C@@H](C)[C@@H]2C)cc1 685935515 DQNBPZNXXFZFRR-QLEMLULZSA-N 352.430 4.497 0 1 FIAF biogenic,in-vitro COc1ccc(CCN2CCC3(CC2)NCCc2c3sc(C)c2C)cc1 963016463 ZCJXPKYBTCSFLW-UHFFFAOYSA-N 370.562 4.053 0 1 FIAF COc1cccc([C@@]2(c3cc(C)ccc3C)NCCc3c(C)ccnc32)c1 963069267 LYDBWFNFTVRZRS-DEOSSOPVSA-N 358.485 4.453 0 1 FIAF Cc1cc(Nc2cc(Cl)c(N3CCCCC3)c(Cl)c2)nc(N)n1 1772633004 ZEBSUIJLXLZYFK-UHFFFAOYSA-N 352.269 4.408 0 1 FIAF COC(=O)c1cc2c([nH]c3ccc(NC(=O)c4ccccc4)cc32)c(C)n1 2382216403 VAEWJRVJTWSCEH-UHFFFAOYSA-N 359.385 4.063 0 1 FIAF CSc1ccc(NC(=O)[C@]2(C)CCN2C(=O)c2sccc2C)cc1 61906764 SAPGHZNEVDGKSP-SFHVURJKSA-N 360.504 4.022 0 3 FIAF CCOc1ccc(Cl)cc1-c1cc(C(=O)NCc2ccccc2)[nH]n1 61927237 MRWGLDFKAUPZDT-UHFFFAOYSA-N 355.825 4.059 0 3 FIAF CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)O1 95598749 KTAIDOJORCYDTH-IUODEOHRSA-N 350.871 4.307 0 3 FIAF COc1cccc(-c2nc(NCc3cnc(C)cn3)c3ccccc3n2)c1 4268216 JPVLUPLFPPCVAQ-UHFFFAOYSA-N 357.417 4.016 0 1 FIAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2Cc1c(O)ccc(O)c1C=O 14709967 ASIYDTZMRHYFMC-UGESXGAOSA-N 360.494 4.446 0 1 FIAF biogenic CCN(CC)CCOc1ccc(Nc2nccc(-c3ccncc3)n2)cc1 26643714 LKXAMUNAEPNLMW-UHFFFAOYSA-N 363.465 4.003 0 1 FIAF c1ccc(CC2CCN(CCCSc3nc4ncccc4[nH]3)CC2)cc1 27564151 RXTDKEORLMBDME-UHFFFAOYSA-N 366.534 4.395 0 1 FIAF COc1cccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)c1 28468457 OWINKNRJAIVLGD-UHFFFAOYSA-N 371.444 4.016 0 1 FIAF COc1ccc(-c2cc3c(N)ncnc3nc2-c2cccs2)cc1OC 28470404 RMFZDAICXLQMRC-UHFFFAOYSA-N 364.430 4.020 0 1 FIAF CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 29128492 IWSOFJPLHFSLJW-UHFFFAOYSA-N 363.933 4.391 0 1 FIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)C[C@@H]3O 29133247 PKRFUEHGRHZIHD-FZMZJTMJSA-N 356.418 4.134 0 1 FIAF O=C(N[C@@H]1CCc2cc(Cl)cc(Cl)c21)[C@@H]1CCc2ncsc21 220850110 CPNGQHHNJVNSLW-ZYHUDNBSSA-N 353.274 4.283 0 1 FIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC)c(Cl)cc2[nH]1 586916488 MQFRZEFQDGTPTA-RBZFPXEDSA-N 370.836 4.441 0 1 FIAF Cc1nc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2cc1Br 587085029 WVLUDPOWOQOGQF-UHFFFAOYSA-N 358.026 4.398 0 1 FIAF Cc1cc2nc(C(F)(Br)Br)[nH]c2cc1Cl 587088981 VKSNFEISNVATQF-UHFFFAOYSA-N 356.420 4.394 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(F)cc(F)c2[nH]1)C(C)(C)C 587203222 DLCJLJUQASLBAU-ZDUSSCGKSA-N 353.413 4.323 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@@H](C)c3ccccc3)CC1)O2 587396251 RDHZWTDBSQBQPU-INIZCTEOSA-N 350.462 4.138 0 1 FIAF Cc1cc(Cl)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587502099 SZVMOKIEBDFCFX-NRFANRHFSA-N 367.832 4.340 0 1 FIAF CC(C)N1C[C@@H]2CCC[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 587518089 AHEUAVSNTHEYES-NHJWOMDBSA-N 353.506 4.410 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Cl)c1 587551701 IQBHHXQHPRWMTH-APWZRJJASA-N 353.761 4.144 0 1 FIAF Cc1cc(Br)cc2nc(CCOc3ccc(C=O)cc3)[nH]c12 587566272 DMJZRPICUNZSFC-UHFFFAOYSA-N 359.223 4.068 0 1 FIAF Cc1[nH]c2cc(Cl)c(F)cc2c1CCCN1C(=O)c2ccccc2C1=O 587632156 QMJSRHNIEQRUCC-UHFFFAOYSA-N 370.811 4.498 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(O)c2)N1 587716039 IPMKCOJQAPQROY-VPTHRUTESA-N 354.194 4.057 0 1 FIAF Cc1cc(N)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747905 SRTFOLHIZCQXCB-VOJFVSQTSA-N 363.274 4.277 0 1 FIAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587804300 APJJVTXQPMSLIC-DYZYQPBXSA-N 350.231 4.220 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(O)cccc32)N1 587830984 GPYPNFIWWHXJOY-XTZNXHDOSA-N 362.242 4.018 0 1 FIAF CCC[C@@H]1C[C@]2(CCO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587831650 IKYODXXCNVLUJR-PPHDSNJXSA-N 356.279 4.297 0 1 FIAF CCOc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856740 XPMOQCAMVNDFES-CLAHSXSESA-N 371.275 4.067 0 1 FIAF COc1ccccc1-c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 587931654 LUHFWMXMDGXORJ-UHFFFAOYSA-N 366.471 4.273 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)OCCCO4)CC2 587946005 IAXRBFVTPSITFH-AWEZNQCLSA-N 350.418 4.005 0 1 FIAF CC[C@]1(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)CC(=O)c2ccccc2C1 587960495 MBSGCALMHRCWGN-NHCUHLMSSA-N 362.433 4.055 0 1 FIAF COc1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)co2)cc1OC 621431151 UFRADIWXWUKGDE-GOSISDBHSA-N 363.413 4.381 0 1 FIAF O=C(Nc1nccs1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 621432747 OZEUBVFHNCXYIP-UHFFFAOYSA-N 371.372 4.043 0 1 FIAF CN1CCN(c2ccc(Nc3cc(-c4ccc(Cl)s4)[nH]n3)cc2)CC1 1857560999 RWUOALPWLWOFDT-UHFFFAOYSA-N 373.913 4.287 0 1 FIAF O=c1c(F)cn(CCC2CCCCC2)c(=O)n1CCC1CCCCC1 1857590728 CQKUZRPJEIJPBB-UHFFFAOYSA-N 350.478 4.090 0 1 FIAF Cc1c(CCO)sc[n+]1CCCCCCCCCCCCC(=N)NO 1857596670 RXCOZIMNVKOVQB-UHFFFAOYSA-N 370.583 4.126 0 1 FIAF O=C(O)C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl 1857629532 PPBVJMLHXGVKIC-CQSZACIVSA-N 356.180 4.078 0 1 FIAF CCOC(=O)C1=C2CCCN2C(C2CC2)=N[C@H]1c1ccc(F)cc1Cl 1857633209 IVSMKTHDZOCWDD-KRWDZBQOSA-N 362.832 4.255 0 1 FIAF CC(=CCCC1=CCOC1=O)CC=C[C@]1(C)CC[C@@H]([C@@]2(C)CCC(=O)O2)O1 2356651637 UWXJDRWZPZOIOX-VLCRHTCISA-N 374.477 4.176 0 1 FIAF CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)Cc1ccccc1 2382255077 FLPYPLOUBUDQFA-UHFFFAOYSA-N 364.533 4.380 0 1 FIAF CSCC[C@H](C(=O)NC1CCCC1)n1c(C2CC2)nc2ccccc21 95566651 RZTUUKBCTSKVTR-GOSISDBHSA-N 357.523 4.267 0 3 FIAF CCc1nc2c(c(CC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 13585125 DXPOPWAXDIQCHR-UHFFFAOYSA-N 371.655 4.194 0 1 FIAF O=C(CCCC1CCN(C(=O)OCc2ccccc2)CC1)c1ncco1 29126093 PULJAPNAELJFLW-UHFFFAOYSA-N 356.422 4.076 0 1 FIAF Cc1cccc(N2C(=O)CS[C@@H]2c2c(F)cccc2C(F)(F)F)n1 40411830 PECJECNBXPAIBL-OAHLLOKOSA-N 356.344 4.327 0 1 FIAF COc1ccc(-c2cc(-c3ccccc3)no2)c(OCCN2CCCC2)c1 71281352 DMBPQAWYCKWQTB-UHFFFAOYSA-N 364.445 4.492 0 1 FIAF CC(C)OC(=O)CCCCN[C@]1(c2ccccc2Cl)CCCCC1=O 96911370 VELFQRXGQQEDQS-FQEVSTJZSA-N 365.901 4.390 0 1 FIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cc(Cl)cc(Cl)c1 169369425 ILHUURNQKXQSLQ-AYTODTMRSA-N 352.261 4.033 0 1 FIAF CCc1[nH]c(=O)c(Cc2cnc3ccccc3c2)c2cc(OC)c(OC)cc12 169703382 KETAWUROZYWQGP-UHFFFAOYSA-N 374.440 4.247 0 1 FIAF C[Si](C)(C)CC[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 196164103 ILZGNXHKHPNNKA-OAHLLOKOSA-N 358.345 4.201 0 1 FIAF COc1ccc(-c2cc(-c3ccc(C(N)=O)o3)cc(-c3ccco3)n2)cc1 216434131 OXFGRFRPAQZKFI-UHFFFAOYSA-N 360.369 4.376 0 1 FIAF COc1cc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2cc1Cl 586882596 ZHALLRUQFLECBW-UHFFFAOYSA-N 356.809 4.154 0 1 FIAF COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)ccc1Br 586977484 POBJIQOTZXOLHJ-HYXAFXHYSA-N 373.206 4.233 0 1 FIAF Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)cs2)o1 587016839 OOFXMLGHVTXUMJ-UHFFFAOYSA-N 350.403 4.140 0 1 FIAF Cc1ccc2c(ccc3nc([C@@H]4CSCN4C(=O)OC(C)(C)C)[nH]c32)n1 587041005 SHCYIRXAMDIQOV-HNNXBMFYSA-N 370.478 4.402 0 1 FIAF CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OCC)c1 587398652 FYJWFJLQJUHATN-NRFANRHFSA-N 355.434 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@]1(C=COc4cc(C)c(Cl)cc41)[C@@H](C2)C3=O 587424009 WOEFAMLNOLIVKS-XOBRGWDASA-N 354.789 4.206 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(C)cc(C)c(C(C)=O)c1C)[C@@H](C2)C3=O 587446099 UARDDOIHYVNISQ-AOMKIAJQSA-N 350.414 4.312 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O 587452687 SRWQPQCGMUWXNL-BTYIYWSLSA-N 363.438 4.482 0 1 FIAF O=NCC1=COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587501223 BPGQUCMDPQZDPH-JOCHJYFZSA-N 361.397 4.469 0 1 FIAF CCOC(=O)C[C@@]1(C2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587520660 APBUWNZHOZHALU-JOCHJYFZSA-N 356.462 4.413 0 1 FIAF O=C(NC1CC1)c1[nH]c2cc(F)ccc2c1C(=O)c1ccc(Cl)cc1 587632658 GLRUJYIBKGTJQA-UHFFFAOYSA-N 356.784 4.084 0 1 FIAF CCCC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804261 DEKBSRLGBZILRO-GTNSWQLSSA-N 372.278 4.071 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]41)[C@@H]2[C@@H]53 587825426 DEWOBBCKNPFVQW-FAKHEECCSA-N 374.297 4.096 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2OCC3)N1 587837042 YYVCLSICRHXFLD-BTDLBPIBSA-N 362.242 4.147 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(SC)ncn1 587863310 GDPLWYAOQXZHLE-UHFFFAOYSA-N 366.368 4.079 0 1 FIAF Fc1ccc(-n2ncc([C@H]3NCCc4cccc(-c5ccccc5)c43)n2)cc1 962661058 IZVMSOZDGQQZFS-HSZRJFAPSA-N 370.431 4.309 0 1 FIAF CCCOc1c(-c2cc(OC)c(OC)c(OC)c2)oc2ccccc2c1=O 1772572425 XZHHVTHFQVEFTL-UHFFFAOYSA-N 370.401 4.275 0 1 FIAF CC(C)(C)C(=O)Nc1ccc2c(-c3cc(F)ccc3O)ccnc2c1O 1857548000 AXDUJUALAUHLFF-UHFFFAOYSA-N 354.381 4.437 0 1 FIAF O=c1oc2ccc(Br)cc2cc1-c1ccnn1-c1ccccc1 1857588329 WWEGFWQEOQLZEU-UHFFFAOYSA-N 367.202 4.408 0 1 FIAF C[C@@]1(Cc2ccc3c(c2)OCO3)C(=O)Nc2c(Cl)ccc(Cl)c21 61927099 IZRNPEZAXBZZDZ-KRWDZBQOSA-N 350.201 4.175 0 3 FIAF O=C1c2nn(-c3ccccc3)nc2[C@@H](c2ccccc2)N1c1ccccc1 1630902 KFCHUOBLEBHPLH-OAQYLSRUSA-N 352.397 4.017 0 1 FIAF CCc1cc2c(c3c1CCCC3=O)C[C@@]1(Cc3ccc(C(=O)OC)cc3C1)C2 1855341 NQUYVMQFSNLBQJ-RUZDIDTESA-N 374.480 4.438 0 1 FIAF C[C@H]1CC[C@H]2[C@@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]12CC[C@@](C)(CO)O2 4143440 UJHGQFKKYLHYKM-KMRSQDGUSA-N 366.542 4.291 0 1 FIAF CN1CCc2cc(Cl)c3[nH]c(S)nc3c2[C@H]2c3ccccc3CC[C@@H]21 13608527 YDBHDGOTVMHOQG-RDJZCZTQSA-N 369.921 4.440 0 1 FIAF COc1ccc(-c2nc([S@](=O)C(C)C)[nH]c2-c2ccc(OC)cc2)cc1 28219522 GARCUJBNOOFLRQ-SANMLTNESA-N 370.474 4.277 0 1 FIAF CC1(C)C=Cc2c(ccc3c2OC[C@@H]2c4cc5c(cc4O[C@@H]32)OCO5)O1 28871439 PAAJONLTKBLVPE-VLIAUNLRSA-N 350.370 4.209 0 1 FIAF biogenic O=C(O)[C@@H]1CCCN1CCCCOc1ccccc1CCc1ccccc1 29489207 HNWRDPMIUFAEPM-NRFANRHFSA-N 367.489 4.180 0 1 FIAF Cc1csc(Sc2cc(C(=O)Nc3cccc(N)c3)c(N)cc2F)n1 45358799 ACFYHPCMPGGQEQ-UHFFFAOYSA-N 374.466 4.159 0 1 FIAF COc1cccc(C(=O)c2sc(Nc3ccc(Cl)cc3)nc2N)c1 71296559 IMWVYWOMWJCXRE-UHFFFAOYSA-N 359.838 4.362 0 1 FIAF CCC(C)(CC)C(=O)N[C@H]1C[C@H]2c3cccc4[nH]c(C)c(c34)C[C@H]2N(C)C1 72190120 UXRWQKITDPCICD-ZAAXVRCTSA-N 367.537 4.131 0 1 FIAF investigational COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(F)cc2)n1 82165035 SKSCCKQDYGRURG-UHFFFAOYSA-N 358.442 4.081 0 1 FIAF CCOc1cccc(-c2ncn3c2-c2cc(OC)c(OC)cc2CC3)c1 84617129 PEQLYWXDQWUMMO-UHFFFAOYSA-N 350.418 4.189 0 1 FIAF O=C(Nc1ccc(C2=NCCN2)cc1)c1sc2ccsc2c1Cl 84687624 OTQGXVXXIQMSHC-UHFFFAOYSA-N 361.879 4.218 0 1 FIAF CC(C)(C)CC(=O)Nc1sc2c(c1C(=O)NCC1CC1)C(C)(C)CC2 95562946 YLVMXWNZELVYJA-UHFFFAOYSA-N 362.539 4.486 0 1 FIAF COc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(-c3ccccc3C)ccc1O2 95579828 OLAQBZBKMOPUOH-HSZRJFAPSA-N 372.424 4.365 0 1 FIAF Cc1ccc(-c2cnnc(N3CC[C@H](c4cccc(C(F)(F)F)c4)C3)n2)o1 103227004 XRAJVTZSGJPDEJ-AWEZNQCLSA-N 374.366 4.453 0 1 FIAF Cc1nn(C)c2nc3ccccc3c(NCCCNC3CCCCC3)c12 169332565 GDWYWZQYDXXGML-UHFFFAOYSA-N 351.498 4.154 0 1 FIAF OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]2[C@H]2CC[C@H]21 261518038 GJFCEMOCWVYDKT-OSENZJTBSA-N 364.570 4.405 0 1 FIAF in-vitro O=c1cc([C@@H](O)c2ccccc2)n(-c2cccc(-c3ccccc3)c2)cc1O 299870614 WPLQBESTXAGXJC-DEOSSOPVSA-N 369.420 4.292 0 1 FIAF FC(F)(F)c1cnc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587075035 BOVFFKDKTQXMPJ-ZDUSSCGKSA-N 366.730 4.247 0 1 FIAF OCc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587124355 WAQPXLFGNOTCNF-UHFFFAOYSA-N 368.380 4.387 0 1 FIAF Nc1ccc2oc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cc2c1 587251988 PUSQYIAPYFWKDO-UHFFFAOYSA-N 363.602 4.369 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)cs1)O2 587408323 AXVMAKFHGRYIKP-HNNXBMFYSA-N 352.253 4.282 0 1 FIAF Cc1ccc2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 587585960 IZVVKWVUKRRBOA-KNQAVFIVSA-N 372.380 4.051 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccccc1C2 587604305 SKBSXYSSHIIFTQ-NZQKXSOJSA-N 358.393 4.282 0 1 FIAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1O 587605532 AVEVQDMNTQRGPA-KNQAVFIVSA-N 362.381 4.283 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)c(F)c2)N1 587726701 YYSFYINLEWFFFA-VVVCHXIZSA-N 367.237 4.107 0 1 FIAF CCCCn1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587760073 NWBYUZVEKIGJHU-GTNSWQLSSA-N 366.278 4.208 0 1 FIAF Cc1cccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587769467 GGXZQIDSHCAANU-SGTLLEGYSA-N 363.274 4.284 0 1 FIAF COc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587807635 KWMILNVHQMWJGQ-QGHHPUGFSA-N 350.231 4.220 0 1 FIAF CC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587835998 ZDPCCPAPEHCAHS-VOJFVSQTSA-N 364.258 4.482 0 1 FIAF O=C(NC1CC1)c1cc(F)c(-n2nc3cc2Oc2ccc(F)cc2-3)c(F)c1 587873728 IJCPSYBBMKTLOO-UHFFFAOYSA-N 371.318 3.955 0 1 FIAF COc1c(C)cc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587944004 VIKUOXVWJJCYKJ-UHFFFAOYSA-N 373.355 4.135 0 1 FIAF COc1ccc(F)cc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772632028 WCDCXNRZCNHBCS-INIZCTEOSA-N 359.328 4.235 0 1 FIAF CCCCCON1C(=O)[C@@H](NC(=O)OCCCCC2CCCCC2)[C@@H]1C 1772641918 HZORLALBMGHSCI-WMZOPIPTSA-N 368.518 4.184 0 1 FIAF CCC=CCC=CC[C@@H]1O[C@H](C=C=CBr)C[C@H]1OC(C)=O 2356524347 ADPYLPCYOQTHGO-PCBRRKKVSA-N 355.272 4.442 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)[C@H]2COC(=O)[C@@H]21 2356798687 STUPTZTXUWQVRJ-VZMCSVCESA-N 362.510 4.360 0 1 FIAF CC[C@@H](Cc1cc(OC)c(C)cc1OC)NC(=O)c1ccc(F)c(F)c1 3140145 MYILGWWVXVGYJJ-HNNXBMFYSA-N 363.404 4.042 0 1 FIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)CCN2 13761428 GCBWWAZZKWFUJJ-IBGZPJMESA-N 350.506 4.258 0 1 FIAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1cccs1)CCCC3 28968898 GBZATXVTYHWHNV-UHFFFAOYSA-N 367.474 4.304 0 1 FIAF COc1ccc2nc(C)cc(Nc3ccc(C4=NNC(=O)CC4)c(C)c3)c2c1 29061890 LXVSRILSWGYNFY-UHFFFAOYSA-N 374.444 4.218 0 1 FIAF Cc1ccc(C2=C(CC(=O)O)[C@@H](c3ccc(Cl)cc3)NC(S)=N2)cc1 29412704 YNOHTNSJTPJQHJ-GOSISDBHSA-N 372.877 4.465 0 1 FIAF COc1cc(C(=O)c2cc(N)ccc2-c2cccs2)cc(OC)c1OC 64564789 SQBUFTXZIFOTBA-UHFFFAOYSA-N 369.442 4.254 0 1 FIAF COc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)c(OC)c1OC 72176689 TZVNLJNPEBDDFH-UHFFFAOYSA-N 363.417 4.354 0 1 FIAF CCC[C@@H]1COc2ccc(C)c3c(=O)c(C(=O)NC4CCCCC4)cn1c23 95556474 LQAQVYYPBXCHMH-MRXNPFEDSA-N 368.477 4.106 0 1 FIAF O=C1CCc2cc([C@@H](c3ccncc3)c3cccc(F)c3)cc3c2N1CC3 95593977 ZZBHFQHOABMONM-QFIPXVFZSA-N 358.416 4.236 0 1 FIAF Cc1cccc([C@@H](c2ccncc2)c2cc3c4c(c2)CCN4C(=O)CC3)c1 95595627 FKYHZGBEOXUCRX-HSZRJFAPSA-N 354.453 4.406 0 1 FIAF NCCCCCCCC/N=c1/c2ccccc2nc2n1CCCCCC2 101199391 AAGBKGWTUZNICF-GYHWCHFESA-N 354.542 4.353 0 1 FIAF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccncc2)C2=C(O)CCCC2=N1 104075704 CUADLHIXHJBBRW-IBGZPJMESA-N 352.434 4.376 0 1 FIAF Fc1cc(Oc2nccnc2C2CCOCC2)ccc1Nc1ccccn1 148199862 BVZWZSBZWRSAIS-UHFFFAOYSA-N 366.396 4.441 0 1 FIAF C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166913019 PGIIJRZOQWKCSA-HZPDHXFCSA-N 363.461 4.247 0 1 FIAF CO[C@@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 169364547 DRRFJWRBSWXNFW-XSDIEEQYSA-N 373.443 4.321 0 1 FIAF Cc1cc(F)ccc1-c1nc2ccc(C(=O)O)cc2nc1N1CCC[C@@H]1C 205431434 UGYZUYYXWJRWED-ZDUSSCGKSA-N 365.408 4.431 0 1 FIAF O=C(CCCCCOc1cccc(O)c1)Nc1ccnc(C(F)(F)F)c1 299864147 MBKRQUAZSTZGFG-UHFFFAOYSA-N 368.355 4.384 0 1 FIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(Cl)c(Br)cnc3[nH]1)C2 586883964 FMNFXNSBGOOQCP-CIUDSAMLSA-N 366.646 4.013 0 1 FIAF Cc1cc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1Br 586976455 LDYHOPFSYRBUNC-UHFFFAOYSA-N 363.186 4.062 0 1 FIAF Cc1cc(F)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 587042479 KULYAKVEEUPQRT-CQSZACIVSA-N 361.829 4.319 0 1 FIAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587051085 UIIDHBQMOLFWGQ-UHFFFAOYSA-N 357.797 4.003 0 1 FIAF Clc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cnc3[nH]1)O2 587080353 MCLCYNNLOKNHLO-LBPRGKRZSA-N 350.603 4.050 0 1 FIAF COC(=O)c1ccnc2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc12 587145729 QKWCKMOBNLHJSY-UHFFFAOYSA-N 361.376 4.141 0 1 FIAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 587150462 QXJSMWSAWPQHEZ-OAHLLOKOSA-N 353.788 4.299 0 1 FIAF Oc1nccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587151857 UZUWJAXMWYRGOV-QGZVFWFLSA-N 353.328 4.110 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc(Br)c1)O2 587384485 FJDFWURHQGDBMH-HNNXBMFYSA-N 350.187 4.185 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccc1OC)[C@@H](C2)C3=O 587423408 XZQDBRHDDOAXFA-UGSOOPFHSA-N 364.319 4.211 0 1 FIAF Cc1cnn(Cc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c1 587516331 CEKUUNYSLXYLTE-OAQYLSRUSA-N 362.429 4.418 0 1 FIAF CCOC(=O)[C@H]1CCCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525728 RNRGARKZLHIBTD-GCJKJVERSA-N 356.462 4.413 0 1 FIAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 587827990 NCTCBWHWPGKJEZ-YVPWZFRESA-N 350.275 4.384 0 1 FIAF Cc1nc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587851742 IZSSZLXIIQHBEX-ANRSDYALSA-N 355.276 4.151 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(C)s1 587867343 XAQMPDPENACFDB-UHFFFAOYSA-N 354.357 4.117 0 1 FIAF COc1cccc([C@@H](C)Cc2nc3c(F)cnc(Br)c3[nH]2)c1 587929647 CHANDJXSAYTOJL-VIFPVBQESA-N 364.218 4.214 0 1 FIAF COC(=O)c1cccc(N2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)c1 621476430 UZXKIOVQUVXEHL-UHFFFAOYSA-N 365.772 4.080 0 1 FIAF COc1ccc2c(c1)[C@@](C)(c1cc3cnccc3nc1C)N(C(C)C)CC2 962092223 NAWFCARASMZKON-HSZRJFAPSA-N 361.489 4.477 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCC(=O)O)c1ccncc1 963244388 WMYRDCQBTJULSB-HTAPYJJXSA-N 352.478 4.237 0 1 FIAF CCOC(=O)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)cc(=O)c2c1 1857560238 NLOMFPVBEVTNDA-UHFFFAOYSA-N 361.319 4.391 0 1 FIAF COc1cccc(OC)c1-c1cc2c(=N[C@H](C)c3ccccc3)nc[nH]c2[nH]1 1857633466 MWYDZOGYPFSWHW-CQSZACIVSA-N 374.444 4.237 0 1 FIAF CCc1ccc([C@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)s1 1857641388 DRWIDCWXXLOIMG-IBGZPJMESA-N 374.469 4.052 0 1 FIAF Cc1cccc(C2=NN(C(=O)CC3CCCCC3)[C@@](O)(C(F)(F)F)C2)c1 1857752513 SPOYQRMSOBKQLL-SFHVURJKSA-N 368.399 4.153 0 1 FIAF CCCCO[C@@H]1OC(=O)C(Cl)=C1Nc1ccc(Br)cc1 1857768870 BMZAZMUBDHSAIM-CQSZACIVSA-N 360.635 4.011 0 1 FIAF CC=C1[C@@H](O)C[C@@]2(C)[C@@H]3CC=C4C[C@@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356693215 BZACCZGEYNSNNQ-MKQNOXKVSA-N 373.581 4.157 0 1 FIAF COCOc1ccc(-c2c[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1 2382224488 GPDKPVKXPQOVHM-UHFFFAOYSA-N 369.417 4.357 0 1 FIAF Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC[C@H]2C=CCC2)c1 6521918 OPPVYMRCOSOQGC-KRWDZBQOSA-N 368.477 4.425 0 1 FIAF C[S@@](=O)c1ccc([C@H](Nc2nccs2)C(=O)c2ccc(F)cc2)cc1 12352388 QGDUYZMBLKACFR-LMKMVOKYSA-N 374.462 4.056 0 1 FIAF COc1ccc(C[C@H]2NCCc3c2[nH]c2ccccc32)c(Cl)c1OC 26671007 UFQMXWWSDZEGHS-MRXNPFEDSA-N 356.853 4.268 0 1 FIAF CCn1c(-c2ccc(OC(C)=O)cc2)c(C)c2ccc(OC(C)=O)cc21 29231603 LFUCYZVCBPQJNY-UHFFFAOYSA-N 351.402 4.487 0 1 FIAF Oc1cc2c(cc1Cl)CCN[C@@H]2Cc1ccccc1Br 45260637 JHOVTRNHFCBNAQ-OAHLLOKOSA-N 352.659 4.238 0 1 FIAF Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1 63298214 MFMXAWQGPQXDRJ-UHFFFAOYSA-N 359.389 4.424 0 1 FIAF CC[C@@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1 82140914 IGOLOPIVXNWEIY-OAHLLOKOSA-N 370.472 4.047 0 1 FIAF CCc1ccc(/C=C2\C(=O)O[C@H]3[C@H]2CCC(C)=C2CC[C@@](C)(O)[C@@H]23)cc1 96939117 ISHOKLRHTPYDPN-ZBIBZYRASA-N 352.474 4.445 0 1 FIAF COc1ccc(S(=O)(=O)N2CCc3cccc(-c4cccs4)c32)cc1 114324505 RANWGATXZNNUCY-UHFFFAOYSA-N 371.483 4.175 0 1 FIAF Nc1ccc(-c2ccc3nc(/C=C\c4ccccc4C(=O)O)[nH]c3c2)cc1N 586881913 ZVLCKTXPWWEURQ-YFHOEESVSA-N 370.412 4.263 0 1 FIAF Fc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2c(F)c1F 586979930 YOUZGWPCGNAUTH-UHFFFAOYSA-N 362.536 4.458 0 1 FIAF Clc1cccc(-c2cc(-c3nc4cnc(Br)cc4[nH]3)n[nH]2)c1 587067981 DZIBRZZGMJMCIL-UHFFFAOYSA-N 374.629 4.431 0 1 FIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cnc3ccccc3c2[nH]1 587109919 XBCVFQRCYUUBFS-UHFFFAOYSA-N 357.291 4.495 0 1 FIAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3nc(Cl)c[nH]c-3n2)cc1 587158020 GUIIHOXYTMEJMO-UHFFFAOYSA-N 352.756 4.244 0 1 FIAF Oc1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182533 KIFGZIKJACRJAS-UHFFFAOYSA-N 370.577 4.194 0 1 FIAF COc1cc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2cn1 587196496 XRHGECZLEBOACN-UHFFFAOYSA-N 368.437 4.313 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3cc[nH]c32)[C@@H]1c1ccc(F)cc1 587344933 HWHKBLOSOMAYRA-KNQAVFIVSA-N 363.388 4.450 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nc3sccn13)O2 587384194 YRFJAOFGRJDAMX-NSHDSACASA-N 367.352 4.012 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)cc1Br)O2 587384887 KMMXYAGXKBAQSO-QGZVFWFLSA-N 364.214 4.359 0 1 FIAF CCCCn1nc(C)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421144 TXXZEOVRMIQSBW-YJYMSZOUSA-N 360.841 4.142 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1OC)CCCC4)[C@@H](C2)C3=O 587445017 YRKCNAYRNMERCM-JTSKRJEESA-N 350.414 4.071 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCN(C3CCCCC3)CC1)CC2=O 587477372 XRNCNSCLFRYJRR-UHFFFAOYSA-N 357.494 4.477 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(OC)ccc3C1)CC2=O 587477665 ICTYYDDKNMCCPY-JOCHJYFZSA-N 352.430 4.246 0 1 FIAF CN[C@@H](C)[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508267 AGUYAMWDLWMZFV-WNSKOXEYSA-N 365.473 4.043 0 1 FIAF C[C@]1([C@@H]2COc3ccccc3O2)CC(=O)c2ccc3c(c2O1)CCCC3 587536938 YYVGUSZFDVFTCG-RBBKRZOGSA-N 350.414 4.129 0 1 FIAF CCCCCC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604454 TZYXNYIVCPRMOR-DYESRHJHSA-N 370.401 4.148 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(O)c(F)c2)N1 587722571 SRTZCBMFHJBQOO-ZIDLFYJRSA-N 372.184 4.196 0 1 FIAF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587774222 UFTGHBWYMPNEDN-DYZYQPBXSA-N 365.246 4.006 0 1 FIAF COCCC1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 587791927 JZAFDOPXGXMGHU-BDJLRTHQSA-N 356.279 4.370 0 1 FIAF CC(=O)c1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587816391 XPAFCEQAKRNHAK-MGNBDDOMSA-N 362.242 4.414 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cc3ccccc3C2=O)N1 587828665 PGYMVEUHYCILPU-WLRWDXFRSA-N 372.237 4.227 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3occc32)N1 587834467 ROKAGHNUUWUYFZ-BMLIUANNSA-N 350.231 4.295 0 1 FIAF Cc1nc(SCC(=O)c2cccs2)c2sc(=S)n(C)c2n1 958026524 NFDZGHMTRVREIQ-UHFFFAOYSA-N 353.519 4.104 0 1 FIAF Cc1sc2c(c1C)CCN[C@@H]2c1ccccc1N(C)C1CCN(C)CC1 963011474 PWDZGNBVUVCLDD-OAQYLSRUSA-N 369.578 4.130 0 1 FIAF Cc1ccc([C@@]2(c3[nH]c4ccccc4c3N)NCCc3c(C)ccnc32)cc1 963072571 SYPNXYFUDZHKLQ-XMMPIXPASA-N 368.484 4.200 0 1 FIAF COc1ccc([C@H]2C[C@](C)(OC)Oc3c2c(=O)oc2ccccc32)cc1 1857746916 UHDUKYUECUHRSM-IIBYNOLFSA-N 352.386 4.079 0 1 FIAF CC[C@H](CCc1ccc(C[C@@H]2C=C(C)[C@@H](O)C[C@@H]2C(C)(C)O)cc1)OC 2356352847 CLHYVNSCCZEHLX-LRSLUSHPSA-N 360.538 4.301 0 1 FIAF COc1ccc(C2=NO[C@](C)(c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 12726795 BAUPVQFMJLKSPI-IBGZPJMESA-N 369.808 4.438 0 3 FIAF Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCc2ccccc2)CC1 592274 GIYXEZZPINFSPU-UHFFFAOYSA-N 361.489 4.031 0 1 FIAF CCOC(=O)CCN(C)CCCCOc1ccc(Cc2ccccc2)cc1 13475296 WFIOVYUONYLVRV-UHFFFAOYSA-N 369.505 4.321 0 1 FIAF COc1c2c(c3ccoc3c1OC)O[C@H](c1ccccc1)[C@@H](OC)[C@@H]2OC 13480417 CJDWWGLVOLCWPW-XFQXTVEOSA-N 370.401 4.286 0 1 FIAF biogenic CCCc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)ccc12 26476042 QOYCNYMSKODKCN-UHFFFAOYSA-N 365.429 4.397 0 1 FIAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2c(C)cc(C)cc32)cc1OC 26670481 DBWVPJVRORRVEB-SFHVURJKSA-N 350.462 4.231 0 1 FIAF Cc1cccc2nc(-c3ccccc3O)n(CCc3cccc(F)c3)c(=O)c12 28331786 SVQGUGCDMVTZMP-UHFFFAOYSA-N 374.415 4.459 0 1 FIAF CN1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1OCc1ccccc1)C2 29567809 ZDOCWAAGOYBNMX-YQQQUEKLSA-N 365.477 4.012 0 1 FIAF CC(C)N(C=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 36189631 LTWNPNPVOVXRJF-SOUDSBKHSA-N 374.569 4.085 0 1 FIAF C[C@@]12C=C[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 40786618 PUBMHJJMCXSVQD-MMBQXPGUSA-N 350.458 4.002 0 1 FIAF CCC(/C=C/C(=O)Nc1ccccc1OC)=C\c1ccc2c(c1)OCO2 40914416 UDCCUJXAWSKUQB-SYWOWUFVSA-N 351.402 4.412 0 1 FIAF Oc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(O)cc3)n2)cc1 40952459 YPKCSJRUMZSEIB-UHFFFAOYSA-N 362.311 4.394 0 1 FIAF CN1CCN(C2=Nc3ccccc3Nc3sc(C(C)(C)C)cc32)CC1 55646889 WRVGQZHBJLQUTM-UHFFFAOYSA-N 354.523 4.428 0 1 FIAF C/C(=C\c1ccc(OCCCc2ccccc2)cc1)CNCCC(=O)O 59615462 LWGLHUCXBRBGGT-FBMGVBCBSA-N 353.462 4.166 0 1 FIAF COc1ccc2c(c1C)NC(=O)[C@]2(c1ccc(O)cc1)c1ccc(F)cc1 64549116 OUTYGGPBFFQOSY-QFIPXVFZSA-N 363.388 4.135 0 1 FIAF c1cncc(-c2ccc3[nH]cc(-c4ccc(N5CCNCC5)cc4)c3c2)c1 73129651 WEPFOMSXGUEDJU-UHFFFAOYSA-N 354.457 4.307 0 1 FIAF CC(C)COC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 103283896 ZIZAIKAHKYFFQP-RVWIWJKTSA-N 358.526 4.376 0 1 FIAF CC1=Nc2ncnn2[C@H](c2cccs2)/C1=C(/O)OCc1ccccc1 103532490 LKEHKPVDTLIDPC-CFBLSMTOSA-N 352.419 4.021 0 1 FIAF Nc1ncccc1-c1cc(Cc2ccc(Oc3ccccc3F)nc2)no1 113993242 LGOJJBMRFYHJEL-UHFFFAOYSA-N 362.364 4.236 0 1 FIAF Cc1cc(NC(=O)c2cccs2)ccc1N1CC[C@@H](N2CCC[C@H]2C)C1 118870613 QDYLERBISXXLCK-SJLPKXTDSA-N 369.534 4.372 0 1 FIAF COC(=O)/C(=C/c1ccc(OC)cc1)CSc1nc2ccccc2o1 169308071 UXZYMNCSDRVNKV-SDNWHVSQSA-N 355.415 4.185 0 1 FIAF O=C(N[C@@H]1CCC[C@@H](NCc2c[nH]c3ccccc23)C1)c1ccc(F)cc1 169350907 RJEOWQOMOYEZIE-RTBURBONSA-N 365.452 4.138 0 1 FIAF CC1(C)COc2c(-c3nc4ccc(Br)c(O)c4[nH]3)cccc21 586912820 WLZRGUPFUDEATJ-UHFFFAOYSA-N 359.223 4.368 0 1 FIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587027624 XXMJNWWCKFJUEP-UHFFFAOYSA-N 364.430 4.063 0 1 FIAF Nc1c(-c2nc3cccc(O)c3[nH]2)sc2cc(Br)ccc12 587032300 SMLITPVJFTWBNC-UHFFFAOYSA-N 360.236 4.495 0 1 FIAF OCCc1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151402 YCGUBEWUHAPARI-OAQYLSRUSA-N 361.420 4.438 0 1 FIAF Cc1cc2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2c(C)n1 587199093 ZLPURZYDPLXKLV-UHFFFAOYSA-N 371.444 4.101 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(Cl)c1OC)[C@@H](C2)C3=O 587418693 AOWWIGPONKGMDC-GTNSWQLSSA-N 365.212 4.499 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)C(C)(C)[C@H]1C)CC2=O 587491385 UWUQXAJEBIOJFQ-RWCMSOCESA-N 360.450 4.206 0 1 FIAF COC[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504489 KFNNTAWPMNMBCD-NRFANRHFSA-N 358.384 4.351 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3ncccc23)N1 587792442 HPHNXEXCVGSIFG-QGHHPUGFSA-N 372.241 4.155 0 1 FIAF CC(C)COCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798086 XHUVUONDROFOSA-YVEFUNNKSA-N 358.295 4.400 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)C2(C)C)N1 587816947 GIOASOKUKHLOCX-BMLIUANNSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C=O)s2)N1 587845790 FSKTYZLMPBLIBB-FVMDXXJSSA-N 368.271 4.260 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N[C@H](C)C1CC1 587863728 RTLBQCJBBOBUDD-SNVBAGLBSA-N 369.412 4.099 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COC(C)C 587864507 LCAFAPLFGUOMEE-UHFFFAOYSA-N 356.344 4.033 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Oc1ccccc1 587867808 BYFBXZYPOSZYNY-UHFFFAOYSA-N 363.295 4.020 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](C)C2 1857763820 RUBQYFULNTWMNW-YUNKPMOVSA-N 358.434 4.054 0 1 FIAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(Cc1cccc(Cl)c1)C2 2356549476 CSHRTKZPAILPJY-GOSISDBHSA-N 356.853 4.380 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2COC(=O)[C@@H]12 2356798688 STUPTZTXUWQVRJ-YGNPUIHWSA-N 362.510 4.360 0 1 FIAF CC(=O)Nc1cc(C(=O)N2CCCC2)ccc1Sc1ccc(C)cc1 2923151 SPKOEBRQINKMHM-UHFFFAOYSA-N 354.475 4.341 0 3 FIAF CCCCNC(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1CCC 205710672 NEVNQUHMONLRSU-OEMYIYORSA-N 364.530 4.253 0 3 FIAF C[C@@H](C(=O)COCc1ccccc1)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C 6002156 YYOPTHXSDWHHKU-ODCWNRFASA-N 367.426 4.263 0 1 FIAF O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)NCc1ccccc1 12620192 QNIDKPSAVPMQPT-CCZBSFLLSA-N 362.311 4.427 0 1 FIAF Cc1cccc(C)c1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C 13470193 SKPQWJYRAXPOCN-IRLDBZIGSA-N 365.477 4.283 0 1 FIAF CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)n(C)c1=O 13536147 RGTMBVZHQAXNNL-UHFFFAOYSA-N 371.525 4.262 0 1 FIAF COc1ccc(C[C@@H](C)[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)cc1OC 14646583 SRJOMSFZTGEQFM-HUUCEWRRSA-N 372.461 4.419 0 1 FIAF biogenic CCc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)ccc12 26474480 NZOGPTYGWFNUKZ-UHFFFAOYSA-N 351.402 4.007 0 1 FIAF Cc1cc(Cl)cc(Cl)c1C/N=c1\c(O)c(O)\c1=N/[C@H](C)C(C)(C)C 28230511 JOOGZNGUVAKMRQ-UGJXSCTBSA-N 369.292 4.025 0 1 FIAF C1=C(c2ccc(CCN3CCC3)cc2)[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 29128260 IZMCDSYPUGPXLN-ZCYQVOJMSA-N 358.529 4.470 0 1 FIAF Cc1ccc(O)c(C(=O)NCCCN2[C@H]3CCCC[C@H]3CC[C@@H]2C(C)C)c1 29395327 PWFMWOKLCGUINX-TYPHKJRUSA-N 372.553 4.500 0 1 FIAF COc1ccc(CNc2cncc(Oc3cccc4cccnc34)n2)cc1 82068859 MCTKUORYQDYDSB-UHFFFAOYSA-N 358.401 4.438 0 1 FIAF Cc1ccc(C2=C(OC(=O)N(C)C)C3=[N+](C=CC3)c3ccccc3O2)cc1 101020517 JWOMNMODPZQPBP-UHFFFAOYSA-N 361.421 4.457 0 1 FIAF O=C1C[C@@]2(CCCc3ccccc32)OC(=O)[C@H]1SCc1ccccc1 169684765 OAFGWMQMAKOFHH-PZJWPPBQSA-N 352.455 4.036 0 1 FIAF Fc1ccc2c(c1)CCN(c1nc(N3CCCCC3)nc3ccccc13)C2 299830543 IOGHPUMMQNBKKD-UHFFFAOYSA-N 362.452 4.322 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3c(C)cnc(Cl)c3[nH]2)cc1 586970631 NBZVBVFOLOJUPO-UHFFFAOYSA-N 374.897 4.143 0 1 FIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(O)cc4[nH]3)c2C1 587032633 ZQIASKPQZKIXIU-UHFFFAOYSA-N 371.462 4.290 0 1 FIAF Cc1c(F)ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587041467 CEQUQKVVZVTDJA-CQSZACIVSA-N 361.829 4.319 0 1 FIAF COc1cc(-c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccn1 587393824 NMRZRJPSBZUWEE-FQEVSTJZSA-N 360.413 4.354 0 1 FIAF COc1cc2c3c(c1)O[C@@](CC1CCCCC1)(c1ncccn1)[C@@H](C2)C3=O 587435310 DKWCQDHZEIIOGS-HTAPYJJXSA-N 364.445 4.099 0 1 FIAF CCOC(=O)C[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526232 SHTJEYOENRUIQX-KSFYIVLOSA-N 356.462 4.413 0 1 FIAF CS[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587615187 WVZHLMNBNKTROJ-HLIPFELVSA-N 356.443 4.398 0 1 FIAF COc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615593 YTZNOHSSDVMUFH-CRAIPNDOSA-N 354.383 4.165 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncn(C)c3c2)N1 587759492 UGEGGXZIYGXGBV-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF CCCOc1cccc(Cc2nc3c(F)cnc(Br)c3[nH]2)c1 587778973 SDHCPDODNFQKOV-UHFFFAOYSA-N 364.218 4.239 0 1 FIAF COC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587796296 SYWSMJXPHHOHSC-XIKOKIGWSA-N 364.258 4.012 0 1 FIAF CCO[C@@H]1C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 587807523 DKOIYBHGEFEKME-LSKLOWJMSA-N 368.290 4.297 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)C2(C)C)N1 587817085 HZBLDHLNGHSRBC-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2)N1 587832988 LSMYWHFJTJSDGW-BMLIUANNSA-N 350.231 4.092 0 1 FIAF CCOC(=O)[C@H]1CCCC[C@@]12c1ccsc1CCN2Cc1cccn1C 962398737 NWVDFNXANUCUFL-WIYYLYMNSA-N 372.534 4.094 0 1 FIAF Cc1cc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(F)cc1F 962730357 NKGWXJMBRAWPIV-CVEARBPZSA-N 355.306 4.008 0 1 FIAF COc1ccc2c(c1)[C@H](c1cc(-c3ccccc3F)no1)N[C@@H]1CC[C@H]21 962992634 IAYLWIFAPZOQLU-CFCCAZDESA-N 350.393 4.428 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(F)c(F)cc1Cl 963060765 WUCDJHQRLQXGGZ-IBGZPJMESA-N 360.791 4.410 0 1 FIAF CCCN1[C@H](c2ccnc(Br)c2N)c2ccccc2C[C@H]1C 963232130 CRUZGKKLJVVDPZ-PXAZEXFGSA-N 360.299 4.172 0 1 FIAF CCCCc1ccc(C(=O)C2CCN(C(=O)c3cccc(O)c3)CC2)cc1 1857535913 XKBZOIJPFVGVKT-UHFFFAOYSA-N 365.473 4.470 0 1 FIAF COC(=O)C(C)(C)Oc1ccc(CCc2ncc(CC(C)(C)C)[nH]2)cc1 1857543982 LXCVTWQJIAIWKR-UHFFFAOYSA-N 358.482 4.114 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@](C)(O)CC[C@H]21 2356456738 OWZUBMHBAHWVRJ-KNOXWWKRSA-N 366.542 4.242 0 1 FIAF CC(=O)O[C@@H]1[C@H](O)C(C)=C(CCC(C)=CCO)[C@]2(C)CCCC(C)(C)[C@@H]12 2356484619 BIBTUYYDRZOYNN-VMBXEPDQSA-N 364.526 4.161 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1[C@](C)(O)CC[C@@H]2[C@@](C)(CO)CCC[C@]21C 2356543492 SUHBMXFJOWKXEV-PVIWCNJMSA-N 366.542 4.242 0 1 FIAF COc1c(Br)cc(Br)c(OC)c1-c1ccc[nH]1 1627673 VHAPZCVSMZGFMN-UHFFFAOYSA-N 361.033 4.224 0 1 FIAF Cc1ccc(NC(=O)N2[C@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)cc1 4888173 WRIKOMDUAGMHIE-AYHJJNSGSA-N 357.498 4.075 0 1 FIAF COc1cccc2c1CC[C@@H](CCN1CCN(c3ccccc3)CC1)C2 13760542 YSEIEOUPJDUMFS-IBGZPJMESA-N 350.506 4.012 0 1 FIAF Cc1n[nH]c2ccc(-c3cncc(OCC[C@@H](N)Cc4ccccc4)c3)cc12 14957878 DWJILNCVVDOHOU-HXUWFJFHSA-N 372.472 4.272 0 1 FIAF O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCC3 35087186 RUMCUGIGOGTKLI-UHFFFAOYSA-N 353.805 4.372 0 1 FIAF COc1cc2c(cc1OC)C(=O)C[C@H](c1cccc(N3CCCC3)c1)O2 45340128 BOGQEIFPZQGCJA-GOSISDBHSA-N 353.418 4.011 0 1 FIAF CCCCN(CCCC)CCNC(=O)c1coc(-c2ccc(C)cc2)n1 82074844 ZAIHAEJOQYICDT-UHFFFAOYSA-N 357.498 4.282 0 1 FIAF CSCC[C@H](Nc1nc(-c2ccc(C)cc2)cs1)C(=O)NC(C)C 82191830 YCKSFZFDYFHAAV-HNNXBMFYSA-N 363.552 4.177 0 1 FIAF CCCC[C@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl 103277664 KRGXFYLABWOWOW-SECBINFHSA-N 362.204 4.250 0 1 FIAF NC(=O)c1cccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)c1 144728543 XGBUELJHDFTPHV-HXUWFJFHSA-N 369.342 4.231 0 1 FIAF C[C@H]1C=CCc2c1c(O)n(-c1ccccc1OC(=O)c1cccs1)c2O 169691553 SZFCDVSJYDLXRL-LBPRGKRZSA-N 367.426 4.385 0 1 FIAF Cc1nc(-c2ccccc2F)c2c(N3Cc4ccccc4C[C@H]3C)ncnn12 169711749 BVZHUSQLXALJRA-CQSZACIVSA-N 373.435 4.190 0 1 FIAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(C)=C/CO)[C@H](C)C(=O)C[C@H]12 238772900 NLSHPJQSTZKKHA-VCRZUVBVSA-N 364.526 4.306 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]2Cc3cc4c(cc3[C@@H]21)OCO4 299822468 ABNCXZLRMPDLES-CWTRNNRKSA-N 354.381 4.096 0 1 FIAF CCOC(=O)[C@H](F)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586985989 JCEQVKQEEHTAIV-GOSISDBHSA-N 365.360 4.034 0 1 FIAF CC(=O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586987747 DZTNAOWJSORRAU-UHFFFAOYSA-N 366.376 4.416 0 1 FIAF Brc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cn1 587018157 UYHXIYWQJJRPKV-UHFFFAOYSA-N 361.224 4.028 0 1 FIAF N=c1[nH]c(-c2cccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)cs1 587021311 KQBRRHOOSDGFJZ-UHFFFAOYSA-N 372.356 4.087 0 1 FIAF CC[C@@H](Oc1ccccc1Cl)c1nc2nc(Br)c[nH]c-2n1 587061437 GQHVBYHDXADTPQ-SECBINFHSA-N 367.634 4.251 0 1 FIAF O=C1CCc2cc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c3cc2N1 587120515 MLVURQJPZMZHRA-UHFFFAOYSA-N 371.322 4.010 0 1 FIAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(Br)c(O)c2[nH]1 587168986 PIRXNJOLTBKJGM-QMMMGPOBSA-N 351.175 4.310 0 1 FIAF Cc1cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2cc1Br 587251803 OGRPFITWJYJHAG-UHFFFAOYSA-N 358.239 4.032 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(F)ccc1N)O2 587384781 IRGQNBLSPFWSDW-QFIPXVFZSA-N 362.404 4.208 0 1 FIAF COc1ccccc1-c1csc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587414846 WKTCHEQGKVTRCX-GOSISDBHSA-N 366.442 4.416 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2ccc(O)cc21 587479660 IRBZYVKZTUEUEU-QFIPXVFZSA-N 368.429 4.472 0 1 FIAF CC(=O)COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523769 PMCSXQTYNYYATO-NRFANRHFSA-N 350.414 4.240 0 1 FIAF CCCCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587582079 NUJXKXQFWSAOMG-NQIIRXRSSA-N 364.401 4.092 0 1 FIAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587610495 GGXKSLXNFUFSMP-XLIONFOSSA-N 367.426 4.223 0 1 FIAF CCc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611298 HUXVABIONUXTET-VQIMIIECSA-N 353.399 4.114 0 1 FIAF O=C(O)Cc1c(-c2cc(Br)ccc2O)[nH]c2cc(F)ccc12 587632977 UIJOHUIWSHYWMB-UHFFFAOYSA-N 364.170 4.069 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cn(C)nc23)N1 587757210 GGZXYVDEABPBBK-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF Cc1ccn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc2c1 587772680 FYTAMUTWGIUNID-ZMZPIMSZSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc[nH]c2C(C)(C)C)N1 587789132 CDGNDFHHCVADIC-LKFCYVNXSA-N 366.278 4.232 0 1 FIAF COCC[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790301 FSKBBAHMAFBVOG-GTNSWQLSSA-N 358.295 4.400 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3[nH]ncc23)N1 587791642 GRLIEZOHDMOXHO-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF CCC[C@@]1(CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800234 WERPVHVORCKCHG-GTNSWQLSSA-N 372.278 4.071 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nc[nH]c3c2)N1 587802177 KOZFVPBYEMKMGH-XTZNXHDOSA-N 374.257 4.262 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H]2CCCCC2=O)N1 587818469 DMYPQQWMOHIPBM-BVRBVLIYSA-N 368.290 4.487 0 1 FIAF CC(C)[C@H]1C[C@@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587829366 BZUJYVHLKPQBOI-SSKCKEOISA-N 356.279 4.153 0 1 FIAF CC(C)=CCC/C(C)=C/c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587966142 AZRPRMKSGAKZIE-GXDHUFHOSA-N 350.466 4.468 0 1 FIAF COc1ccc2c(c1)C[C@@]1(C2)NC2(CC2)Cc2ccc(Br)cc21 961611723 CXZXPUHOWKRSPC-HXUWFJFHSA-N 370.290 4.130 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2C=C(C(F)(F)F)C(F)(F)F 963633521 IQBPARNSNNJGLI-PSASIEDQSA-N 369.305 4.330 0 1 FIAF CC(C)(O)[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(F)c4)n3n2)CC1 1772624323 LTKKGHAPQYJRCK-JCNLHEQBSA-N 368.456 4.277 0 1 FIAF CCn1cnc2c(oc3nc(-c4ccccc4)cc(C(F)(F)F)c32)c1=O 1857751898 LRIPSWWOBBBJHJ-UHFFFAOYSA-N 359.307 4.243 0 1 FIAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](C)C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 1682408 CCIHHCZWSDAQGO-BOFQXBQCSA-N 360.469 4.241 0 1 FIAF biogenic C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](N)C[C@]1(c1cccc(O)c1)C2 13475348 DBPFGWTUHBQYTM-VPJOFFEXSA-N 364.533 4.094 0 1 FIAF O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 13740820 ZCUGLCPNDXQRDS-UHFFFAOYSA-N 365.473 4.333 0 1 FIAF CC(C)(C)c1cc(NC(=O)NC2Cc3ccccc3C2)n(-c2ccccc2)n1 26573882 GZGYXKHNMJBZKD-UHFFFAOYSA-N 374.488 4.459 0 1 FIAF CC[C@H]1CC[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@H]13 26716375 KTWOOJMLIGJCEN-RVGDMOSWSA-N 353.506 4.171 0 1 FIAF CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@H]1CCCC[C@@H]1N1CCCC1 26841075 NINALMVLNXJRJC-ROUUACIJSA-N 369.336 4.401 0 1 FIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5oc(C(=O)O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27425480 YRTQKPWOTFXIJI-DOEPJIJBSA-N 358.478 4.296 0 1 FIAF Cn1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21 33817946 COYQXWRKWWNNLQ-UHFFFAOYSA-N 362.212 4.134 0 1 FIAF Cc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCCC2)OCO4)cc1C 36060471 WFXWOXCBWJJCNT-UHFFFAOYSA-N 374.440 4.412 0 1 FIAF CC(=O)Nc1cccc(CNc2cc(C)nc(Nc3ccc(C)cc3)n2)c1 45302577 KTPSJBWFKIFKEB-UHFFFAOYSA-N 361.449 4.408 0 1 FIAF Cc1nc(-c2ccccc2)n(C)c1CC(=O)NCc1cccc(Cl)c1C 72111062 RRMIYKWQNOBHDN-UHFFFAOYSA-N 367.880 4.216 0 1 FIAF O=C(O)c1cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O 72118743 NTPJRNLYPBHFEA-UHFFFAOYSA-N 365.168 4.377 0 1 FIAF O=C(Nc1ccc(F)cc1)c1csc([C@@H](O)c2ccc(Cl)cc2)n1 82078959 QGWLVLOZVRCISF-HNNXBMFYSA-N 362.813 4.270 0 1 FIAF Cc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccc(F)cc2)oc1C 82164428 KFSMNSJROYXUCL-MRXNPFEDSA-N 368.412 4.145 0 1 FIAF CO[C@H]1Cc2ccccc2[C@@]2(CCN(CCCCc3ccccc3)C2)O1 84730023 GCZKQSXITDZRGB-PKTZIBPZSA-N 351.490 4.156 0 1 FIAF CCSc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OC)N3CCCF)cc1 101281338 LHOOAMLZVNHXAN-OWYHZJEWSA-N 365.514 4.268 0 1 FIAF Cc1cc2nc(-c3ccco3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C 103249567 QSAANSVYWZHQKA-UHFFFAOYSA-N 370.416 4.010 0 1 FIAF COc1cc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)ccc1C(C)(C)O 216014713 SZEODOAWASYAPC-UHFFFAOYSA-N 359.809 4.423 0 1 FIAF OCC(CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 231936008 GJFCEMOCWVYDKT-HVHGEEHNSA-N 364.570 4.405 0 1 FIAF O=C1c2ccc(C(F)(F)F)cc2O[C@H]2c3[nH]c4ccccc4c3CCN12 473087344 FDZNMYFQLJPXNP-SFHVURJKSA-N 358.319 4.276 0 1 FIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 586878592 GRKKHSPKCHRIOW-UHFFFAOYSA-N 364.792 4.347 0 1 FIAF Cc1ccc(-n2ccnc2SCc2nc3cc(F)cnc3[nH]2)c(C)c1 586966886 UWUZAXXSMOPLME-UHFFFAOYSA-N 353.426 4.192 0 1 FIAF O=C(O)c1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1F 587005931 AFQQONPPBMJDGP-UHFFFAOYSA-N 374.169 4.082 0 1 FIAF COc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1OC 587017875 RWSAWTYWGJPAHO-UHFFFAOYSA-N 372.837 4.419 0 1 FIAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587050161 OWYNWEKRVBVKSO-QWRGUYRKSA-N 371.231 4.117 0 1 FIAF COC(=O)[C@H]1c2nc3c(C)ccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O 587096172 ALKFHIHQNWJFBX-SJKOYZFVSA-N 357.409 4.203 0 1 FIAF CCOC(=O)[C@H]1c2nc3cccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O 587107698 TYUPHDWODYPZSZ-KZULUSFZSA-N 357.409 4.285 0 1 FIAF COc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1C 587127406 SRMWXJOKTGBAHB-UHFFFAOYSA-N 362.311 4.322 0 1 FIAF N[C@@H](Cc1nc2cccc(Cl)c2[nH]1)c1ccc(Br)cc1F 587142645 IXYZRGQRXLGPSC-LBPRGKRZSA-N 368.637 4.360 0 1 FIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 587232746 BLBDGUPAHPDLMW-STQMWFEESA-N 358.486 4.416 0 1 FIAF COc1cncc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c12 587247923 YEJVBISINLOPTN-UHFFFAOYSA-N 360.417 4.381 0 1 FIAF N=c1ncc(-c2cccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)c[nH]1 587254515 KTTSZIPJFILXPN-UHFFFAOYSA-N 356.216 4.406 0 1 FIAF CCOC(=O)C[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587378709 OYRYOZAFGAFDAD-HXUWFJFHSA-N 373.836 4.045 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)s1)[C@@H](C2)C3=O 587449659 GJHYGZHYSBVSCU-VFZGTOFNSA-N 351.221 4.008 0 1 FIAF CC1(C)CC(=O)C(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C1 587521829 DIGQMLOAHOSSCH-HSZRJFAPSA-N 368.473 4.254 0 1 FIAF O=C(O)c1ccc2c(c1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528586 CHKYYNFGQIDFLI-HSZRJFAPSA-N 362.425 4.461 0 1 FIAF CCCn1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587578668 AZFPJVTUBFKOIJ-NQIIRXRSSA-N 364.401 4.010 0 1 FIAF Cc1cc(C)c(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c(C)c1 587649774 BKILGGNUAQTEPG-UHFFFAOYSA-N 370.474 4.057 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(F)cc2C=O)N1 587739022 SILJDUHMKAHSMZ-JKYUHCHBSA-N 372.234 4.225 0 1 FIAF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587770966 LGIIXYKQHNDUFB-QGHHPUGFSA-N 365.246 4.006 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2n[nH]c3ccccc23)N1 587790471 CYLDKONVVVDOKV-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF COc1cccc(C(=O)c2ccc(-c3nc4cc(C)nc(C)c4[nH]3)cc2)c1 587931188 MLLKCTUBUQOKMJ-UHFFFAOYSA-N 357.413 4.481 0 1 FIAF O=C([C@H]1Cc2ccccc2[C@@H](COc2ccc(Cl)cc2)N1)C(F)(F)F 962731018 PYZZSGINAKCIMU-HZPDHXFCSA-N 369.770 4.106 0 1 FIAF COc1ccc(C[C@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC 1857762533 FKCNDWIBHSUPEZ-KRWDZBQOSA-N 370.445 4.173 0 1 FIAF NCCC1=C[C@@H](CCCCCCCCC=C[C@H](CO)CC(=O)O)CC1 2356315761 JLZZBBJQOBMZMR-ICSRJNTNSA-N 351.531 4.432 0 1 FIAF CCCCCc1cc(O)c(C[C@@H](O)[C@@](C)(O)CCC=C(C)C)c(O)c1 2356394409 BKIVMEYACIOCCX-RTWAWAEBSA-N 350.499 4.231 0 1 FIAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H](C)CO[C@]3(C)CCC=C(C)C[C@H]4O[C@H]3[C@H]2[C@H]41 2356476639 MDSDQZGJBVBIFN-UULGCHDOSA-N 362.510 4.129 0 1 FIAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1 774613 PNIUVIKIRBKIOU-CQSZACIVSA-N 370.836 4.163 0 1 FIAF COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2 1855691 WGRZTCIIDNTQKV-UHFFFAOYSA-N 358.481 4.334 0 1 FIAF C[C@@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 13449297 WUQKVKRTLLTZNV-ZBFHGGJFSA-N 369.336 4.401 0 1 FIAF CCCCOC(=O)[C@H]1C[C@H](O)[C@@]2(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]12 13518491 YYYVCAWTLVDNED-PAPVWTPXSA-N 372.505 4.179 0 1 FIAF O[C@H](Cc1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1 13730003 FIFLUTNSIVHHPL-HSZRJFAPSA-N 355.497 4.464 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C[C@@H]2CC[C@H]1N2C 29474714 IHKXUTSLFDCINU-PDGJWGCVSA-N 365.473 4.102 0 1 FIAF COc1cc([C@@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](C)[C@H]2C)ccc1O 34173088 KBIHHHDCLJQNHG-DGWQTREISA-N 374.433 4.208 0 1 FIAF endogenous,in-man COc1ccc(CCN2C(=O)CS[C@]2(C)c2ccc(C)c(C)c2)cc1 38149933 JZFNWTIJEGVREY-OAQYLSRUSA-N 355.503 4.303 0 1 FIAF COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1 49036317 NWYMVZYVVNQYFE-UHFFFAOYSA-N 364.376 4.339 0 1 FIAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1cc(F)c(OC)cc1n2CCF 73197024 FGDKXQIJZSPQHK-CYBMUJFWSA-N 364.436 4.047 0 1 FIAF Cc1[nH]c2ncccc2c1[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 84687132 RZSQUVRWRFCSHI-HNNXBMFYSA-N 363.436 4.058 0 1 FIAF O=C(Nc1ccc(Cl)cn1)c1cc(Cl)cc(Oc2cncnc2)c1 96938960 BSYATLKIQPVDGA-UHFFFAOYSA-N 361.188 4.223 0 1 FIAF C(=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2nccs2)cc1)\c1ccccc1 100092210 LNZROZJAHPQAEH-XXTYNBNQSA-N 373.525 4.253 0 1 FIAF COc1ccc(OC)c([C@H]2CC(c3ccccn3)=NN2c2ccccc2)c1 103201306 UVBGXHLREVDGRJ-OAQYLSRUSA-N 359.429 4.455 0 1 FIAF O=C(C1CCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(C3CCCC3)CC[C@H]21 105793849 WMBDRGXHFNIXPF-NJDAHSKKSA-N 372.578 4.497 0 1 FIAF O=S(=O)(Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)c1ccccc1 164821738 URHNBSDDFCCUET-UHFFFAOYSA-N 367.405 4.170 0 1 FIAF COc1cc(OC)cc(-c2cccc(-c3ccc(OC)cc3OC)n2)c1 169312281 QUQPLNQLXZRFOL-UHFFFAOYSA-N 351.402 4.450 0 1 FIAF COc1cc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2cc1F 587109961 YHOUWRKBLGDHFJ-UHFFFAOYSA-N 354.259 4.095 0 1 FIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587115986 IHKBXPIRMWAKPK-UHFFFAOYSA-N 370.549 4.337 0 1 FIAF COc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cn1 587159714 UTMUNHZOYOQUMD-UHFFFAOYSA-N 359.364 4.112 0 1 FIAF COc1cc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1Cl 587175159 QIIVVYXOKIDMHM-CYBMUJFWSA-N 358.804 4.088 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(Br)cc1)O2 587370255 CZZMXDQCUITPBP-SFHVURJKSA-N 360.251 4.306 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(C)cc1OC(F)F)[C@@H](C2)C3=O 587424166 XVXOEOCHLMEQOL-IFXJQAMLSA-N 360.356 4.402 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1cccnc1)[C@@H](C2)C3=O 587437034 VQOHUIABLNDGFE-HTAPYJJXSA-N 359.381 4.371 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Br)n1)CC2=O 587459914 QNRGPPJERYOQJJ-OAHLLOKOSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)nc1)CC2=O 587460670 VLUMQDMSCKDNOI-OAHLLOKOSA-N 362.223 4.209 0 1 FIAF C[C@@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555207 ZGNGAPICPPXTQJ-UZLBHIALSA-N 367.788 4.318 0 1 FIAF CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2ccc([C@@H](C)CC)cc12 587643564 GJLXXXXKFQUIPQ-ZDUSSCGKSA-N 350.418 4.489 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cnn(C)c3c2)N1 587760370 PJGYGBRSHQPESS-YPMLDQLKSA-N 374.257 4.099 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cnn(C)c23)N1 587762206 XMXVCYIXHPKTSK-BMLIUANNSA-N 374.257 4.099 0 1 FIAF CCC[C@@H]1C[C@]2(CCO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587836307 ZWHIBKQGZAANST-PPHDSNJXSA-N 356.279 4.297 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587929421 JLOOGGFAUMNLEW-LHSJRXKWSA-N 350.418 4.178 0 1 FIAF Fc1cccc([C@@]2([C@@H]3CCNC3)NCCc3cccc(-c4ccccc4)c32)c1 962666270 JLNOLGKITURWCL-BWKNWUBXSA-N 372.487 4.492 0 1 FIAF CCCN1[C@@H](c2cc(OC)c3oc(N)nc3c2)c2ccccc2C[C@H]1C 963229641 ONBMACYGJDSBFA-YJYMSZOUSA-N 351.450 4.165 0 1 FIAF Cc1ccc([C@]2([C@@H]3CCOC(C)(C)C3)NCCc3ccc(O)cc32)cc1 963327958 BSNDTXLCPBIRME-AUSIDOKSSA-N 351.490 4.295 0 1 FIAF CC(C)(C)CNC(=N)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1 1857558484 JTICWTQVCACDPY-UHFFFAOYSA-N 354.473 4.371 0 1 FIAF CCN(CC)Cc1ccc([C@H]2CC(=O)c3cc(OC)c(OC)cc3O2)cc1 1857657051 PPGIQYYFMPZHTM-LJQANCHMSA-N 369.461 4.252 0 1 FIAF CC(=O)O[C@@H]1CC(C)=C[C@H](O)C[C@H](C)C=C[C@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 2356732772 VUXOPRKKIFEKKX-SEJBMTLSSA-N 364.526 4.015 0 1 FIAF COC(=O)c1cc2sc(C)cc2n1CC(=O)Nc1ccc(C)c(C)c1 6820579 LAQJMVQMAISTQM-UHFFFAOYSA-N 356.447 4.053 0 1 FIAF O=C(O)c1ccc(Br)cc1-[n+]1ccc2c(c1)[nH]c1ccccc12 14685490 VMFIFDDXWMUFEB-UHFFFAOYSA-O 368.210 4.059 0 1 FIAF CC(C)=CC[C@H](O)/C(C)=C/C=C/C(C)=C/[C@](C)(O)C/C=C/C=C/C(=O)O 15117563 AJIPQLGQGAHQQV-RMIYBBOLSA-N 360.494 4.491 0 1 FIAF Cc1cccc(N2C(=O)CS[C@H]2c2c(F)cccc2C(F)(F)F)n1 40411827 PECJECNBXPAIBL-HNNXBMFYSA-N 356.344 4.327 0 1 FIAF NCCCCN(Cc1nc2ccccc2s1)[C@@H]1CCCc2cccnc21 49089452 HDPDPZTXBSYONE-GOSISDBHSA-N 366.534 4.310 0 1 FIAF COc1ccc(-c2occc2-c2cc(OC)c(OC)c(OC)c2)cc1O 72109934 QZYKZKHZYWEHBU-UHFFFAOYSA-N 356.374 4.354 0 1 FIAF CSCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NC(C)C 82192273 WNDYOYWDUKWCOR-AWEZNQCLSA-N 367.515 4.007 0 1 FIAF c1ccc([C@]2(CCNCc3cccnc3)CCOC3(CCCC3)C2)nc1 96940346 BMMVFQHOKOLWTG-OAQYLSRUSA-N 351.494 4.018 0 1 FIAF CC1=N[C@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1CCC21CC1 211020168 BQEOVNOSRGLHCK-FQEVSTJZSA-N 350.853 4.113 0 1 FIAF Brc1cnc2c(-c3nc4c(cnc5ccccc54)[nH]3)cccn12 587007388 KEBLGCGJZFFTSH-UHFFFAOYSA-N 364.206 4.188 0 1 FIAF Cc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1Br 587042808 HGJASZAJJUYKEX-UHFFFAOYSA-N 374.263 4.345 0 1 FIAF COc1nccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064885 PNSRYERMTQYUHR-UHFFFAOYSA-N 355.781 4.459 0 1 FIAF O=c1c(-c2nc3ccc(F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171863 UBRQASRQJIKRGW-UHFFFAOYSA-N 355.319 4.297 0 1 FIAF Cc1ccc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 587376526 SDJCOPWDVPEMBF-HXUWFJFHSA-N 372.852 4.292 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1ccccn1)CC2=O 587488117 HMJGFBFCERLDGE-JOCHJYFZSA-N 360.413 4.044 0 1 FIAF Cn1c(Cl)nc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503053 WGCPTUHYACSHBP-ZDUSSCGKSA-N 351.233 4.312 0 1 FIAF Nc1c(Cl)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549228 YUTDTNVAAKADNQ-UZLBHIALSA-N 367.788 4.331 0 1 FIAF Cc1cncc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587588122 RWZYVMWPRIVNTG-UYAOXDASSA-N 361.397 4.059 0 1 FIAF Cc1cccc2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n12 587775202 PQMMVUWDJRBGBF-MLCYQJTMSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccncc32)N1 587777231 GCWZMYFIDUWAKS-VOJFVSQTSA-N 361.258 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc[nH]c2C(C)(C)C)N1 587790626 IVLZJOFCGNLBEN-YMTOWFKASA-N 366.278 4.232 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C)NC(C)(C)C2)N1 587799097 WFWNDYZQECDTSC-LLVKDONJSA-N 369.322 4.258 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cnc(Cl)cn1 587861259 PLZBBLCOKJBGAU-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF CN(CCc1nc(-c2cc(F)ccc2F)cs1)C(=O)OC(C)(C)C 587921658 ONFDJPFYCGSGRE-UHFFFAOYSA-N 354.422 4.498 0 1 FIAF Oc1ccc(O)n1-c1ccc(Br)cc1OCc1ccccc1 587941724 VIRHTDCHVNWRLB-UHFFFAOYSA-N 360.207 4.230 0 1 FIAF COc1cccc(NC(=O)Nc2nccc3nc(-c4ccccc4)cnc23)c1 653720623 MVWVWWBAONWJOC-UHFFFAOYSA-N 371.400 4.344 0 1 FIAF COc1ccc(-c2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl 1857552175 LECZVSTUFAKLBF-UHFFFAOYSA-N 374.824 4.432 0 1 FIAF CCC=CCC=CC[C@@H](O)C=CC=CC=C[C@H](O)CC=CCCC(=O)O 2356635704 HLHYXXBCQOUTGK-RTWAWAEBSA-N 360.494 4.491 0 1 FIAF O=C(NC1CCC1)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1 2382241265 CRWPGVFFASCQNT-UHFFFAOYSA-N 361.232 4.010 0 1 FIAF CC(C)C[C@H]1CNC(=S)N1CC1CCN(CCCC2CCCC2)CC1 61936110 BXNFLLDFKNWKQO-FQEVSTJZSA-N 365.631 4.274 0 3 FIAF COc1ccc(NC2=NN/C(=C3/C(C)=Nc4ccccc43)CS2)cc1 100491895 NTPZAAOVNAITKJ-ZCXUNETKSA-N 350.447 4.232 0 3 FIAF COc1cccc(Cn2nc(C(F)(F)F)c(Cc3ccccc3)c2O)c1 28765796 OJPXDOMLAJHJGH-UHFFFAOYSA-N 362.351 4.255 0 1 FIAF CCCCN(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C)cc1 28823143 AIVPFDDXUIQFAS-UHFFFAOYSA-N 367.898 4.136 0 1 FIAF COc1ccc([C@@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 28978487 MPHIFJCITUWVMO-QGZVFWFLSA-N 350.201 4.095 0 1 FIAF CC[C@]1(C(=O)N[C@H](C)COc2cccc(F)c2F)[C@H](C)C1(Cl)Cl 29392399 OCUQJTPXKPRLCC-HFBDOXOYSA-N 366.235 4.068 0 1 FIAF COc1cc(Nc2cncc(Oc3cccc(F)c3)n2)cc(OC)c1OC 40938883 KNZCFCWJMOMWMV-UHFFFAOYSA-N 371.368 4.177 0 1 FIAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CO[C@H](O3)O2)cc1 64574033 NGUSEKDHYWDTPQ-UXHICEINSA-N 355.390 4.359 0 1 FIAF CC[C@H](C)NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82133580 SNJFVMBWOPGOKD-INIZCTEOSA-N 360.461 4.284 0 1 FIAF O=C1Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc2S1 96169248 XJQJVPUWKQIIRL-MOPGFXCFSA-N 363.482 4.196 0 1 FIAF Cc1csc(NC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)n1 103241461 FVUFBPNWJXKJNV-UHFFFAOYSA-N 360.414 4.143 0 1 FIAF CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cc(C)ccn1 103275797 YULQUFNQLGGUEW-UHFFFAOYSA-N 373.416 4.044 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)NCC[C@@]43C)C1=CC=C2n1ccnc1 146041471 FWQJUXZUZZDBGS-CAUQANCSSA-N 351.494 4.023 0 1 FIAF Cc1nc2cccc(-c3cc4c([nH]3)C(C)(C)NC4=O)c2nc1NC(C)(C)C 222335642 RJSJQDPTJIRVMZ-UHFFFAOYSA-N 363.465 4.122 0 1 FIAF C[C@H](Sc1ncccn1)c1nc2cc(Br)c(F)cc2[nH]1 586960876 CUPOCMVNGPIXBR-ZETCQYMHSA-N 353.220 4.108 0 1 FIAF COc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1C 587043561 RWQCMUBAEQJNKW-MRXNPFEDSA-N 373.865 4.189 0 1 FIAF COC(=O)c1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587093946 VNORJFDHAAQOKV-UHFFFAOYSA-N 367.352 4.066 0 1 FIAF Oc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587116616 JIGKTJFLPQDTBF-UHFFFAOYSA-N 370.762 4.257 0 1 FIAF C[C@@H]1CC2(C[C@@H](C)O1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587360459 VMTBKZQKAKEHQA-VPZZIHKRSA-N 356.393 4.216 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1[nH]c1ccc(F)cc31)O2 587384559 MEYBKGNHFICKKI-NRFANRHFSA-N 350.393 4.395 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587418796 CTGOOHWVNLPUOW-SUMWQHHRSA-N 352.283 4.342 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OC(F)(F)F)[C@@H](C2)C3=O 587423265 SQVPHSIAVZHADH-UGSOOPFHSA-N 364.319 4.257 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OCC)[C@@H](C)C1)CC2=O 587476921 BOEMEPUJDJZKGM-RXSFTSLZSA-N 360.450 4.048 0 1 FIAF Cc1c(Cl)ccc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587509589 VKCHWSRNHWHCLT-NRFANRHFSA-N 367.832 4.340 0 1 FIAF CCOC(=O)c1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587522812 HWEFDZUDKOTFJK-HXUWFJFHSA-N 366.413 4.154 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccn1 587546170 IVWLPMQEYMNBOL-APWZRJJASA-N 353.761 4.144 0 1 FIAF Cc1cc(N)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576065 FDAARNKBUBNULG-UGKGYDQZSA-N 361.397 4.160 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1scnc12 587616030 ATLSGPZKPKLISR-OXJNMPFZSA-N 365.410 4.042 0 1 FIAF O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587639082 UYNDZBUVAVCFNB-UHFFFAOYSA-N 351.255 4.255 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cnc2F)N1 587739771 VUWPMTPVNRQRAB-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)ncn3C)N1 587760573 YWZOCPNJNRIMFM-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3n2)N1 587793137 JXAORPXMSNWKFD-DYZYQPBXSA-N 372.241 4.155 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2CC2)(C2CC2)N1 587815204 KQOATLJUILKFFR-XTZNXHDOSA-N 366.274 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(O)cc2)N1 587834631 SPVBOZQMDCGACB-ADLMAVQZSA-N 364.258 4.286 0 1 FIAF CC(C)c1nc(-c2nnc(C3CCN(C(C)C)CC3)o2)c2ccccn12 653790962 PDFYCKFWESZNCX-UHFFFAOYSA-N 353.470 4.096 0 1 FIAF COc1cc2c(cc1OC)[C@]1(Cc3ccc(Cl)cc3C1)N(C)[C@H](C)C2 962637390 WTVJTXDYEGLQBQ-LRTDBIEQSA-N 357.881 4.228 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(-c2ncccn2)cc1 963269323 IHZLXXTZGZPEQN-IBGZPJMESA-N 351.837 4.041 0 1 FIAF CC[C@H](C1CCOCC1)n1c(-c2cc(C)c(=O)n(C)c2)nc2ccccc21 1857558406 YEBXPHVMHGJWDW-LJQANCHMSA-N 365.477 4.088 0 1 FIAF Cc1cc(C)n(C[C@@H](C)NCc2c[nH]nc2-c2cccc3ccccc23)n1 15962437 OEDCYPNOZLMATP-MRXNPFEDSA-N 359.477 4.222 0 3 FIAF c1cc2nnc1SCCCSc1ccc(nn1)SCCCS2 5954852 OVRBXEVUIIIJNU-UHFFFAOYSA-N 368.578 4.129 0 1 FIAF Cc1ccsc1-c1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 6781132 DBKITZQGVMWRIS-UHFFFAOYSA-N 372.453 4.129 0 1 FIAF C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCSCCO)[C@@H]1CCC2=O 14947048 LOCLCSLEASYCPR-JZZBYWGLSA-N 374.546 4.103 0 1 FIAF CCCC(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1 29474111 QHQUPSJAGROVCD-UHFFFAOYSA-N 366.417 4.135 0 1 FIAF CCCCCN1CCN([C@@H](Cc2cccc(O)c2)c2ccccc2)CC1 29481207 QOKKOYBOMWAOMS-QHCPKHFHSA-N 352.522 4.484 0 1 FIAF COc1ccc(Br)cc1[C@@H]1Sc2ccccc2NC1=O 40972884 MUKCXAYOUMEGBK-AWEZNQCLSA-N 350.237 4.243 0 1 FIAF COc1ccc([C@@H]2NC(=O)c3ccccc3-c3ccnc4[nH]cc2c34)cc1 45336579 LKECANFHBMMEAQ-FQEVSTJZSA-N 355.397 4.071 0 1 FIAF CC(=O)OC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]21C[C@H](c2ccoc2)O[C@H]1O 69482501 PMNBYUWBDASBNA-MTHPSSPSSA-N 360.450 4.339 0 1 FIAF biogenic,in-vitro N=C(N)c1ccc(-c2ccc3cc(-c4ccc(C(=N)N)s4)[nH]c3c2)cc1 71281608 KHDMBJQLHOBGJB-UHFFFAOYSA-N 359.458 4.132 0 1 FIAF C[C@@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N(C)C2 100844644 ZSLWUVZDXDAKIP-JQJKNKOQSA-N 353.865 4.055 0 1 FIAF Cn1cc(C(=O)Nc2ccccc2)c(Oc2cccc(C(F)(F)F)c2)n1 103294778 DQYLHOYKCDUUHQ-UHFFFAOYSA-N 361.323 4.484 0 1 FIAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(C)cc1 103530877 ZHOZBVAUYFZRSG-AWEZNQCLSA-N 353.447 4.427 0 1 FIAF Oc1ccc(-c2ccc3c(c2)CN2CC[C@@]3(c3ccc(Cl)cc3)C2)nn1 114346635 NQZVQAKLVZGMOR-NRFANRHFSA-N 363.848 4.008 0 1 FIAF COc1ccc(-c2cc([C@@H](O)C[C@@H]3CCCCN3)c3ccccc3n2)cc1 169334756 SECBAURNHRASLF-SBUREZEXSA-N 362.473 4.476 0 1 FIAF Cc1cn(Cc2ccc(O)c(C(C)(C)C)c2)c2ccc(OCC(=O)O)cc12 299858986 UUSGOCUCTMEHCS-UHFFFAOYSA-N 367.445 4.465 0 1 FIAF COC(=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587017334 JXMADQVCUOQSRL-UHFFFAOYSA-N 370.821 4.188 0 1 FIAF CCOC(=O)Cc1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2c1 587028751 VDAKFKICLYIUHR-UHFFFAOYSA-N 366.446 4.096 0 1 FIAF FC(F)(F)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587075302 GBXCAULHUDRUJE-UHFFFAOYSA-N 363.730 4.483 0 1 FIAF C[C@]1(C[C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358070 PICNYKJCYBOCKF-JBZDTAIVSA-N 356.393 4.076 0 1 FIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2c(OC)cccc12 587403683 POQJZUPRRXMWQZ-HXUWFJFHSA-N 363.413 4.454 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3ccccc3)c1)CC2=O 587474132 BSWLZFAGTLKVRN-JOCHJYFZSA-N 362.429 4.411 0 1 FIAF O=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)ccc2O1 587497458 AWRZAKUAOMUPCG-NRFANRHFSA-N 368.816 4.389 0 1 FIAF O=C1C[C@H](C[C@H]2CCCCC23OCCO3)Oc2c1ccc1c2CCCC1 587534609 FHUGZUIBICIXQJ-SJORKVTESA-N 356.462 4.223 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(F)cc1 587570956 MXEAQOBZZPJAKJ-UYAOXDASSA-N 364.372 4.494 0 1 FIAF COc1ccc(-c2cccc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)cc1O 587786684 OOMGBIOYINHTSV-UHFFFAOYSA-N 360.369 4.309 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc[nH]c3n2)N1 587801245 FETSSCXSXHYWQY-JDNHERCYSA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nc[nH]c3c2)N1 587802178 KOZFVPBYEMKMGH-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(O)cccc32)N1 587830985 GPYPNFIWWHXJOY-YPMLDQLKSA-N 362.242 4.018 0 1 FIAF CC1(C)COC(c2cccc(-n3c(O)cc(-c4cccc(F)c4)c3O)c2)=N1 587936097 AHAVYPUJIZQNAC-UHFFFAOYSA-N 366.392 4.250 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC)c1cc(C(=O)OC)n(C)c1 963233473 ULYLSNSNTRWOIZ-OPAMFIHVSA-N 354.494 4.122 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1[nH]c(C)c(C(=O)OC)c1C 963244675 XKNAJNPSGQMMJF-RCDICMHDSA-N 354.494 4.338 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(O)cc1C(F)(F)F 963610208 OMRJAYYXUZWMBM-MGNBDDOMSA-N 367.367 4.052 0 1 FIAF O=C(O)C[C@H](O)c1ccc(OCc2ccccc2SC(F)(F)F)cc1 1772610823 YINJYTOSIPSDQO-AWEZNQCLSA-N 372.364 4.386 0 1 FIAF COc1ccc(NC(=O)[C@@H]2CCN(c3ncccc3C)[C@H](C)C2)cc1Cl 1857602589 OFDMCTREFVQJJO-HUUCEWRRSA-N 373.884 4.296 0 1 FIAF CC(C)=CCC(=O)[C@@H](C)CCc1cc(C(=O)O)cc(CC=C(C)CO)c1O 2356675290 PDDNBYGTBLAWHE-INIZCTEOSA-N 374.477 4.066 0 1 FIAF CNC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1[C@@H](C)CCC2 2382249412 ZDGOATQEDQKXLA-NSHDSACASA-N 359.520 4.356 0 1 FIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(-c2ccccc2)c1 5886093 BHMOFVQDYUETBV-UHFFFAOYSA-N 360.457 4.210 0 1 FIAF O[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12 14957661 WYLVFMBGPRCDQF-XJDXJNMNSA-N 371.440 4.111 0 1 FIAF CC(C)(C)C(=O)OC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 27201311 GYKQUDPVSZQDFH-UHFFFAOYSA-N 373.884 4.355 0 1 FIAF CC(=O)N1c2ccccc2S[C@@H]1c1cccc(OCCCN(C)C)c1 28007699 GJGGSGGUTSCLPQ-HXUWFJFHSA-N 356.491 4.175 0 1 FIAF Cc1ccc([C@H]2OC(=O)O[C@@]3(c4ccc(C)cc4)CCN(C)C[C@@H]23)cc1 34008181 BGZGKVAVORWNIY-TUNNFDKTSA-N 351.446 4.359 0 1 FIAF Fc1ccc(NC(=S)N2CCC(c3cccc(Cl)c3)=N2)c(F)c1 40404911 NXPGCKWNHWQTDI-UHFFFAOYSA-N 351.809 4.425 0 1 FIAF CCC[C@H](CNCc1cccc(C)c1)CNc1cc(=O)c2ccccc2[nH]1 45229081 UFSPJUYZFRFNSL-LJQANCHMSA-N 363.505 4.455 0 1 FIAF CC(C)=CCC(=O)[C@@H](C)CCc1cc(C(=O)O)cc(C/C=C(\C)CO)c1O 49181012 PDDNBYGTBLAWHE-KBHCHJSJSA-N 374.477 4.066 0 1 FIAF COc1cc(/C=C/c2cc(CCc3ccc(O)c(OC)c3)no2)ccc1O 64417218 OFXVJDWRFCUZPN-XBXARRHUSA-N 367.401 4.059 0 1 FIAF Cc1cccc(Cl)c1CNC(=O)Cc1c(C)nc(-c2ccccc2)n1C 72111066 SBKILVDWTICQSO-UHFFFAOYSA-N 367.880 4.216 0 1 FIAF O=C(Nc1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1)Nc1cccnc1 169692391 YTXZREDEJGAXCD-BETUJISGSA-N 374.400 4.068 0 1 FIAF C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1F 205435178 UMGQJNFJZYZIPD-NSHDSACASA-N 369.371 4.262 0 1 FIAF CCCCCOc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12 211055940 JHOXQGXPJJELKF-UHFFFAOYSA-N 357.450 4.425 0 1 FIAF CC[C@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586901678 XBQWHXAXXJNFSZ-HNNXBMFYSA-N 361.239 4.348 0 1 FIAF Fc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587003824 XKTBKMDJEYHZMG-UHFFFAOYSA-N 359.202 4.057 0 1 FIAF FC(F)(F)c1ncc2nc(C3(Cc4ccc(Cl)cc4)CC3)nc-2[nH]1 587074570 ZKGXMZSPPXSEFJ-UHFFFAOYSA-N 352.747 4.251 0 1 FIAF CN(C)CCOc1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587085809 IUHWELCLFMRSJM-UHFFFAOYSA-N 366.852 4.372 0 1 FIAF O=C(N[C@H]1CCc2nc3cccc4c3c(c2C1)CC4)OCc1ccccc1 587211272 OIPOGPZCSPKWRN-KRWDZBQOSA-N 358.441 4.117 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc(-c4cccc(CN)c4)[nH]c3c2)cc1 587246849 QIOYYZUEMLGPMZ-UHFFFAOYSA-N 373.412 4.268 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Cn3cccn3)c1)CC2=O 587475425 LSBDIFAIPDWFHZ-OAQYLSRUSA-N 362.429 4.296 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2[nH]c(=N)sc21 587494213 JIKYZEWZCUHPFA-HXUWFJFHSA-N 372.490 4.047 0 1 FIAF Cn1nccc1[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587516558 DDTKDSKFMRIBSA-KSFYIVLOSA-N 350.462 4.361 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1F 587554431 DGGQYGRNVRBYFN-YLJYHZDGSA-N 354.308 4.373 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cnn(C)c3c2)N1 587760366 PJGYGBRSHQPESS-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF CC(C)COCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798079 XHUVUONDROFOSA-PXAZEXFGSA-N 358.295 4.400 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCCC2=O)N1 587817727 ANYFQUQJBHXGRO-ILMHXZGMSA-N 354.263 4.097 0 1 FIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587952570 TZJIOBCFYWPHOV-WWGRRREGSA-N 360.454 4.405 0 1 FIAF O=C(c1ccncc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 653737379 JUEFDUSBQBSLFK-QGZVFWFLSA-N 351.793 4.320 0 1 FIAF Cc1ccc([C@@]2(CC(=O)C(C)(C)C)c3ccsc3CCN2C(N)=O)cc1 962694538 BGIMWGVWXUFFPS-NRFANRHFSA-N 370.518 4.242 0 1 FIAF COCc1c2c(c(O)c3c1O[C@H](c1ccccc1)CC3=O)C=CC(C)(C)O2 1857593677 ASNVKYABEIOMHP-KRWDZBQOSA-N 366.413 4.429 0 1 FIAF C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N[C@@H](C)c1ccccc1 2356303231 OACXJEILMCXGGL-STQMWFEESA-N 354.381 4.025 0 1 FIAF Cc1oc(-c2ccccc2Cl)nc1CSc1nc2c(c(=O)[nH]1)CCC2 15973794 ORBWPKSZYHGYQG-UHFFFAOYSA-N 373.865 4.168 0 3 FIAF O[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61903796 CFIWYBJGMAYBIK-HNNXBMFYSA-N 354.278 4.455 0 3 FIAF CN(C)C(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 6738674 ZZFNPRAZRDJCOW-OALUTQOASA-N 368.502 4.060 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 29322043 IWSCITFBDCQRGG-WTODYLRWSA-N 350.499 4.479 0 1 FIAF O=C(O)c1c(O)c([C@H]2Cc3ccccc32)nc2c(C(F)(F)F)cccc12 64373448 SSSFQYWCPJBPKK-LBPRGKRZSA-N 359.303 4.345 0 1 FIAF COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc(OC)cc1 64437133 PMKFGPNZRGUOSJ-NHCUHLMSSA-N 353.462 4.007 0 1 FIAF in-vivo Cc1cccc(-c2nc(CN3CCN(c4ccc(F)cc4)CC3)co2)c1 72185060 OEASSRKFPJWUKO-UHFFFAOYSA-N 351.425 4.111 0 1 FIAF CCCCCC[C@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 95571737 GABASWHARKDMCS-ZDUSSCGKSA-N 367.457 4.042 0 1 FIAF O=C(c1ccccc1)c1cc(C(=O)C(F)F)n(-c2ccc(O)c(F)c2)c1 169311965 UVEABFPADXQPTH-UHFFFAOYSA-N 359.303 4.001 0 1 FIAF O=C1NCCc2[nH]c(-c3cccc4ccc(Oc5ccccc5F)nc34)cc21 222351126 LRVOQVWUCGGLLL-UHFFFAOYSA-N 373.387 4.447 0 1 FIAF Cc1nc(-c2ccccc2F)cc(N2CC(c3nc4ccccc4n3C)C2)n1 223409949 IWPZXPSJTFYGSE-UHFFFAOYSA-N 373.435 4.082 0 1 FIAF COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)C=CC(C)(C)O4)cc1 238753955 ZBCMZXUJUABTJX-UHFFFAOYSA-N 350.370 4.358 0 1 FIAF CCn1c(-c2ccc(Oc3ncccc3Cl)cc2C)c(C)c(O)nc1=O 261159235 QNFMCVIETWMWIC-UHFFFAOYSA-N 371.824 4.093 0 1 FIAF CCCc1c(C(=O)OCC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989469 KCQKLTCZHZIYNN-UHFFFAOYSA-N 361.397 4.281 0 1 FIAF Cc1nc2[nH]c([C@@H]3SCCc4sccc43)nc2cc1Br 587036871 OSSRQGGPFCVNJA-GFCCVEGCSA-N 366.309 4.469 0 1 FIAF COC(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1OC 587114277 YJNGTTUGSHVSBS-UHFFFAOYSA-N 350.296 4.044 0 1 FIAF CC1(C)Cc2nc3cccc4c3c(c2C[C@@H]1C(=O)O)-c1ccccc1C4=O 587207607 SODAGEKTXGQQAP-MRXNPFEDSA-N 357.409 4.272 0 1 FIAF C[C@@]1(c2ccncc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333604 KUYDCAQQDZGWEF-FPOVZHCZSA-N 367.351 4.340 0 1 FIAF CC(C)(C)C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350977 IUJRGOKPEHDISX-DYESRHJHSA-N 372.392 4.150 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N)cc1)(c1ccc(F)cc1)O2 587383385 BAXMLFDLHDEMJK-JOCHJYFZSA-N 362.404 4.208 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC4CCCCC4)nc1)[C@@H](C2)C3=O 587435995 LNVYKDKLWABYLL-HTAPYJJXSA-N 365.429 4.290 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3cccn3)c(F)c1)CC2=O 587465173 BKZDQFQZFXWFST-HXUWFJFHSA-N 366.392 4.376 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)F)nn(C)c1Cl)CC2=O 587466891 PXZGICWTRFIELX-GFCCVEGCSA-N 370.783 4.376 0 1 FIAF COC(=O)c1c(C)[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587521950 CKPLGESEVXCNLV-QGZVFWFLSA-N 353.418 4.003 0 1 FIAF CCc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660242 PNMKCYCLIIRYRE-UHFFFAOYSA-N 372.399 4.454 0 1 FIAF Cc1nc(F)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587736854 CESHOYKCGUWUBV-VPTHRUTESA-N 353.210 4.054 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)c3ccccc32)N1 587769037 MEAHPWJECGANSB-BUXKBTBVSA-N 373.269 4.330 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCOC(C)(C)C2)N1 587835605 WLHKPSLAWWSGST-SIVJFFJCSA-N 356.279 4.369 0 1 FIAF O=c1ccc2ccc(OCCN3CCC(Cc4ccccc4)CC3)cc2o1 1772627991 XCOBFKVCBHODFF-UHFFFAOYSA-N 363.457 4.127 0 1 FIAF Cc1ccc(COC(=O)N(c2ccccc2)[C@@H]2CN3CCC2CC3)cc1F 1857562223 UPDOKFNDDXFBCH-OAQYLSRUSA-N 368.452 4.372 0 1 FIAF Cc1ccc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c(C)c1 1857612033 ULTZLEAEPXMGHB-XMMPIXPASA-N 369.468 4.210 0 1 FIAF Cc1occc1C(=O)N[C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 12836637 XEIDUXIHXQRCMW-HXUWFJFHSA-N 354.494 4.181 0 3 FIAF C=C[C@](C)(O)CC[C@]1(C)C2=C([C@H](OC(C)=O)[C@H](O)[C@@H]1C)C(C)(C)CCC2 15266493 HEUKTFJGHNRGIR-RUYPWGIZSA-N 364.526 4.159 0 1 FIAF biogenic COc1ccc(-c2nc(SCC(C)=O)[nH]c2-c2ccc(OC)cc2)cc1 28219494 NCTOWTQQOFYIEP-UHFFFAOYSA-N 368.458 4.442 0 1 FIAF COP(=O)(OC)O[C@@H](c1cccc(Cl)c1)P(=O)(OC)OC 29226698 SJRJRAFJFPRZFW-LLVKDONJSA-N 358.651 4.242 0 1 FIAF Oc1cccc(C[C@H](c2ccccc2)N2CCN(c3ccccc3)CC2)c1 29475137 FJHXLNUHQQYPLJ-XMMPIXPASA-N 358.485 4.498 0 1 FIAF CCCCn1c(=O)c2cc(C(=O)O)cn2c2cc(Cl)c(Cl)cc21 34216351 IDNLTSKVBCVIPU-UHFFFAOYSA-N 353.205 4.059 0 1 FIAF CCCC[C@@]12C[C@]1(C(=O)Nc1ccccn1)C(=O)Nc1ccc(Cl)cc12 34821596 OGMOFIAVFJQDAR-VQTJNVASSA-N 369.852 4.144 0 1 FIAF CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccccc2C)OC1=O 40556583 UAVDSLJDSJVZAW-NRFANRHFSA-N 352.478 4.228 0 1 FIAF CC(C)(N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1 72118605 UMNKFZIILYSKKZ-UHFFFAOYSA-N 351.347 4.436 0 1 FIAF COc1cccc(CNc2cc(Oc3ccccc3F)ncn2)c1OC 82067659 MVKJRZYPDKXUKK-UHFFFAOYSA-N 355.369 4.037 0 1 FIAF CC(=O)Nc1cccc(Oc2cncc(NCCc3ccc(F)cc3)n2)c1 82068506 SFXARKPZAFDFGF-UHFFFAOYSA-N 366.396 4.021 0 1 FIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C 84687391 FBUKQNAFJCJMPR-FHOBHBODSA-N 360.542 4.271 0 1 FIAF COc1ccc2c(c1)c(C)c(CCC(=O)O)n2C(=O)c1ccc(Cl)cc1 95584817 NDOLIIHMVOZCMD-UHFFFAOYSA-N 371.820 4.317 0 1 FIAF CSc1cccc(-c2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)c1 96906573 PNWFQVJDHDEISM-ROUUACIJSA-N 363.486 4.023 0 1 FIAF CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2ccc(C)cc2C)C1 96917471 WGBPGWIIGPMVJC-UHFFFAOYSA-N 354.498 4.256 0 1 FIAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2cc(-c3ccccc3)on2)cc1 100106363 KXHOBNZQFXVTNO-UFDGKLPZSA-N 371.484 4.315 0 1 FIAF O=C(CCCN1C[C@@H]2C[C@@H]1CN2c1ccc(Cl)cc1)c1ccc(F)cc1 101203165 ILSADQLMJBGMFK-UXHICEINSA-N 372.871 4.405 0 1 FIAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCNCC3)ncc2c1 144316622 DHTYMBJKDKSOPX-UHFFFAOYSA-N 363.436 4.287 0 1 FIAF O=C(O)c1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1 144447394 FQUHBMGHIQIMHY-UHFFFAOYSA-N 370.364 4.360 0 1 FIAF CCCCCc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1 168186725 XTSVCKSIAZUPIW-UHFFFAOYSA-N 365.473 4.080 0 1 FIAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)on1 169350114 DEFMJJGCTXETNS-UHFFFAOYSA-N 370.792 4.424 0 1 FIAF COc1cc2oc(=O)c(-c3ccc(O)cc3O)cc2c(O)c1CC=C(C)C 238787292 NPQWZAAWZLVQIZ-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1cc(-c2ccccc2)n[nH]1 299856967 LOKNESXGYMGRDY-OAQYLSRUSA-N 361.445 4.209 0 1 FIAF COc1ccc(CN=c2nc3c(c[nH]2)CSc2cc(Cl)ccc2-3)cc1 473144990 GEGIGDGYEDSHAD-UHFFFAOYSA-N 369.877 4.445 0 1 FIAF Oc1cccc(CCCCc2nc3ccc(Br)c(O)c3[nH]2)c1 586896034 GTOCEJXIMIXXMK-UHFFFAOYSA-N 361.239 4.302 0 1 FIAF Cc1ccc(-c2nc(-c3nc4c(S)nc(S)nc4[nH]3)c(C)s2)cc1 587011676 BGOZZZQLMOUIOW-UHFFFAOYSA-N 371.516 4.338 0 1 FIAF CCO[C@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)s1 587014544 MYNJVRDMSDZSKS-LLVKDONJSA-N 359.451 4.254 0 1 FIAF Brc1ccc2nc([C@H]3SCCc4sccc43)[nH]c2n1 587036870 OSDZKBXYLCGYKA-NSHDSACASA-N 352.282 4.161 0 1 FIAF Fc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587183511 DDGGJXJALQSWLK-DAXSKMNVSA-N 364.161 4.477 0 1 FIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OC 587377816 ZMAWYIIOSZYVRB-INIZCTEOSA-N 361.825 4.344 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(C)c1O)O2 587378054 ROLMNDRMIMXQQC-OAHLLOKOSA-N 362.223 4.060 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccnc1Cl)[C@@H](C2)C3=O 587418241 BPOABQQOHDBFHD-ORAYPTAESA-N 366.804 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)cnc1Cl)[C@@H](C2)C3=O 587421979 MWJLTBIGUNLYMO-ZUZCIYMTSA-N 369.726 4.251 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)nc1)CC2=O 587464514 RSODMVRJUCDSIX-OAHLLOKOSA-N 351.324 4.465 0 1 FIAF O=C1C[C@@H](c2cncc(Br)c2)Oc2c1ccc1c2CCCC1 587495475 DHGYUXXTFBFWLR-KRWDZBQOSA-N 358.235 4.429 0 1 FIAF C[C@H](Oc1ccc(-c2ccccc2)cc1)c1ccc2c(O)nc(O)nc2n1 587553490 BTCWSOONVZLSHX-ZDUSSCGKSA-N 359.385 4.243 0 1 FIAF CCOC1=C(C)[C@@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599591 YAPDLNBFCMLCNA-GHTZIAJQSA-N 352.386 4.197 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Cl)s1 587618578 OTCFMFUSAQPOOH-CJNGLKHVSA-N 359.790 4.205 0 1 FIAF CCOc1ccccc1-c1cccc(-c2nc3ccc(C(=O)OC)nc3[nH]2)c1 587779845 GQWRHBPAZWUPNN-UHFFFAOYSA-N 373.412 4.477 0 1 FIAF COc1ccc(-c2cccc(-c3nc4ccc(C(=O)O)cc4[nH]3)c2)cc1O 587786616 MFXJBXWUQFKJNT-UHFFFAOYSA-N 360.369 4.309 0 1 FIAF COc1ccsc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587844170 MYGOGWRVTPISRQ-XXFAHNHDSA-N 370.287 4.456 0 1 FIAF CCc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587850941 GQUBXGCLELIPQE-VXJOIVPMSA-N 355.276 4.231 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)cs2)N1 587854686 RWWGTKIBMKUDCJ-SREIQFSDSA-N 361.667 4.322 0 1 FIAF COc1ccc(/C=C\Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(OC)c1 587928932 IMVXZDWTEUTTTG-ARJAWSKDSA-N 366.314 4.392 0 1 FIAF CO[C@@]1(C(C)C)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 653851642 KUKAWJOPCLNRQO-GQENOEBFSA-N 350.499 4.026 0 1 FIAF CN(O)c1ccc([C@@H]2c3ccsc3CCN2Cc2cccn2C)cc1 962398933 OGCSVHNPOFHKAN-HXUWFJFHSA-N 353.491 4.060 0 1 FIAF Cc1c(F)cccc1-c1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)o1 962910890 NLUNZSSZRUVFPM-FXAWDEMLSA-N 369.367 4.222 0 1 FIAF COc1ccc(C(=O)c2c(OC)ccc3cc(OC)ccc23)c(OC)c1 1857602047 LREOHAXINPDOAZ-UHFFFAOYSA-N 352.386 4.105 0 1 FIAF COC(=O)c1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1 1857639620 SYFIGKNOBXITNY-UHFFFAOYSA-N 353.374 4.024 0 1 FIAF CCC=CC[C@H](O)C=CC=CCCC=CC=CC=C[C@@H](O)CCC(=O)O 2356845549 OGAHFIOAOYQNIH-LEWJYISDSA-N 360.494 4.491 0 1 FIAF N[C@H](c1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 61927807 KIHLIQOMTIAFCL-CQSZACIVSA-N 350.369 4.349 0 3 FIAF COc1ccc(Cc2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1OC 4826600 OSHCGAGQDOJDIH-UHFFFAOYSA-N 372.424 4.402 0 1 FIAF Cc1oc(-c2ccccc2)nc1COc1cccc([C@@H](C)N(O)C(N)=O)c1 13604017 JBELFRAIHOKZHD-CYBMUJFWSA-N 367.405 4.060 0 1 FIAF COc1ccc(CCCNCCOc2cc(F)cc3c2O[C@@H](C)CC3)cc1 13780386 OFIAKRBYKQTIPM-INIZCTEOSA-N 373.468 4.149 0 1 FIAF CC(C)(C)NC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26391666 ZOIUUCNFVDJSJK-PTEKMSDPSA-N 374.569 4.039 0 1 FIAF CN(C)c1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 29389772 FXBGWQBBFOHQAR-UHFFFAOYSA-N 366.827 4.353 0 1 FIAF CC(C)Cc1cc(-c2ccc(Cn3ccnc3)cc2)c(-c2nnn[nH]2)s1 36176324 QMMKUICFNTWQCR-UHFFFAOYSA-N 364.478 4.039 0 1 FIAF COC(=O)[C@@]1(/C=C2\c3ccccc3[C@@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 36381780 ASIWMRFKVKKMJP-MNSRNRMBSA-N 362.425 4.125 0 1 FIAF Cc1ccnc(N2C(=O)CS[C@H]2c2c(F)cccc2C(F)(F)F)c1 40833747 XKIKBGHCXGHLBI-HNNXBMFYSA-N 356.344 4.327 0 1 FIAF COc1ccc(NC(=O)Nc2cc(F)cc(Oc3cccnc3)c2)cn1 72108909 HGVQKRCXMKAAST-UHFFFAOYSA-N 354.341 4.061 0 1 FIAF O=C1c2ccccc2[C@]2(c3ccc(Cl)cc3)NCc3ccccc3CN12 73336783 SBXMNLLYRHZOLC-JOCHJYFZSA-N 360.844 4.300 0 1 FIAF CCc1cccc2ccn(C[C@@H](O)CSc3ccc(OC)cc3OC)c12 84706244 GUZHDLWYEJVQDI-QGZVFWFLSA-N 371.502 4.374 0 1 FIAF COc1ccc2c(c1)sc1c(Nc3ccc4c(c3)OCO4)ncnc12 95593745 JIFJWQSFJJVKDZ-UHFFFAOYSA-N 351.387 4.325 0 1 FIAF Cc1nc2cc3c(cc2o1)[C@H]1CCCN(C(=O)c2ccc4c(c2)N=CC4)[C@H]1C3 100621321 BGESCOKMVBYFFW-UTKZUKDTSA-N 371.440 4.339 0 1 FIAF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1OC(=O)c1ccccc1 103206841 OLHPUSQRDCTRLG-PLMTUMEDSA-N 352.386 4.220 0 1 FIAF O=C(/C=C/c1ccc(OC(F)(F)F)c(F)c1)Nc1ccccc1C(=O)O 103250071 CCMBRFACHMAMFB-SOFGYWHQSA-N 369.270 4.074 0 1 FIAF COc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2Cl)c1 144348486 GXUAVIYBWDGYOJ-UHFFFAOYSA-N 356.813 4.060 0 1 FIAF CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1 219949378 SZXHQDIXCJQAMI-UHFFFAOYSA-N 367.478 4.149 0 1 FIAF COc1ccc([C@@H]2CC(=O)N[C@@H]3CCCC[C@H]3N2Cc2ccccc2)cc1 299845520 CQLOYQHVHMMETF-VSKRKVRLSA-N 364.489 4.070 0 1 FIAF COc1cc(/C=C/c2nc3cccc(C(=O)O)c3[nH]2)ccc1Br 586978094 WUJNZMVUHKXBFF-SOFGYWHQSA-N 373.206 4.203 0 1 FIAF Clc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cn1 586995258 IJOGTMPPGMDCNM-UHFFFAOYSA-N 351.635 4.028 0 1 FIAF CCCc1sc(=N)[nH]c1-c1nc2cc(C)cc(Br)c2[nH]1 587013598 SMYLJFDJPRHVPS-UHFFFAOYSA-N 351.273 4.122 0 1 FIAF Fc1c(Br)ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587016381 KUZBLLFGMFSOHP-SNVBAGLBSA-N 368.231 4.440 0 1 FIAF Clc1ccc2ccn(Cc3nc4cc(Br)ncc4[nH]3)c2c1 587081407 UZNXZYODSAGNFU-UHFFFAOYSA-N 361.630 4.377 0 1 FIAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccn1 587105740 GWSFGHCGMVCPGL-UHFFFAOYSA-N 350.377 4.267 0 1 FIAF OCc1ccc(F)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587140204 IRACUHHGMRUTDG-UHFFFAOYSA-N 355.594 4.277 0 1 FIAF CCN(CC)CCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587741649 OHKVOCUZUZYEJR-ACJLOTCBSA-N 371.338 4.460 0 1 FIAF Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 587769548 GQBOOTSAMMCOIE-YPMLDQLKSA-N 374.257 4.168 0 1 FIAF COC(=O)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587783197 ZHUCLKRLMGEMTC-UHFFFAOYSA-N 374.396 4.301 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](C3CC3)C2)N1 587819682 WMYZFFNNEVBXKA-AJAPIDPKSA-N 366.274 4.097 0 1 FIAF CC(C)[C@H]1C[C@]2(CS1)N[C@H](C)Cc1cc(Br)c(F)cc12 587858494 RGZZGRKSDLFGJJ-UHNFBRDESA-N 358.320 4.479 0 1 FIAF COc1cccc([C@@H](C)Cc2nc3c(C)c(Br)cnc3[nH]2)c1 587929586 BZPWEQXYUJDBOC-JTQLQIEISA-N 360.255 4.384 0 1 FIAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587953843 UPPPYSDPPLZHJD-LBPRGKRZSA-N 368.414 4.103 0 1 FIAF Cc1noc(C)c1-c1cncc(COc2ccc(CCC(=O)O)c(F)c2)c1 653847616 CSJALYANDHLESJ-UHFFFAOYSA-N 370.380 4.089 0 1 FIAF CCCN1[C@@H](c2cc(OC)cc(C(=O)OC)c2)c2ccccc2C[C@H]1C 963226886 IFJNVONOQLGIOD-VFNWGFHPSA-N 353.462 4.228 0 1 FIAF CCOc1cc2c(cc1OCCCN1CCCC1)NC(=N)C21CCCC1 1857564885 OLVBPAFOEGMPRK-UHFFFAOYSA-N 357.498 4.165 0 1 FIAF COc1cc(O)cc2c1[C@H]1Oc3c(ccc4c3C=CC(C)(C)O4)[C@@H]1CO2 2356649561 PSJNLMVDUBCKQD-XOBRGWDASA-N 352.386 4.195 0 1 FIAF CC(C)=CC[C@H](O)C(C)=CC=CC(C)=C[C@@](C)(O)CC=CC=CC(=O)O 2356685676 AJIPQLGQGAHQQV-UNMCSNQZSA-N 360.494 4.491 0 1 FIAF CC(C)(C)c1cc(C(=O)O)n(Cc2ccc(Oc3ccccc3)nc2)n1 2382216730 XYFLVUGBFFVVAS-UHFFFAOYSA-N 351.406 4.114 0 1 FIAF COc1cccc(-c2oc3c(c2-c2ccc(OC)nc2)[C@H](O)CCC3)c1 95570750 RGNRIQUXLOAYNR-MRXNPFEDSA-N 351.402 4.396 0 3 FIAF Cc1cc(N[C@@H](C)C(C)C)n2nc(C)c(-c3cnc(N(C)C)cc3C)c2n1 13583133 FZJJTUZXWPHQFO-HNNXBMFYSA-N 366.513 4.239 0 1 FIAF CC(C)[C@@]1(C)SC(N[C@@H](C)c2ccccc2Br)=NC1=O 14953765 GOEFWXWBOKLOPU-ZUZCIYMTSA-N 355.301 4.144 0 1 FIAF Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12 29128074 XQZGTIQVRJGKRI-UHFFFAOYSA-N 350.466 4.110 0 1 FIAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@@H]13 36221062 BKKGVUYVPORNKS-JQBLXQSTSA-N 372.468 4.239 0 1 FIAF CCCN(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 43077562 BKYPFBBGDSHHFU-UHFFFAOYSA-N 368.456 4.496 0 1 FIAF COc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 45299995 CRWGIKAUSJNKIC-UHFFFAOYSA-N 357.409 4.281 0 1 FIAF in-vivo CCNC(=O)c1ccc(-c2ccc3ncnc(NCC(C)(C)C)c3c2)o1 66138448 VHIAYISCVBGFOB-UHFFFAOYSA-N 352.438 4.098 0 1 FIAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCNC(=O)C1CC1 72124838 JEPSINGWMWRNJJ-HXUWFJFHSA-N 367.880 4.321 0 1 FIAF COc1c(O)cccc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 167078388 JFRKPCYCRBBRCQ-UHFFFAOYSA-N 356.385 4.487 0 1 FIAF CC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)[C@H](C)C3=O)cc2)cc1 169720238 VQRZDORXXZWESD-ASSNKEHSSA-N 352.455 4.336 0 1 FIAF CCCCC/C=C/[S@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O 169729684 BPNZEGWGYBZOFC-HGJFNOKFSA-N 364.463 4.470 0 1 FIAF CC(C)(SCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)O 586958320 DKKBJNAJCNEATI-UHFFFAOYSA-N 350.387 4.271 0 1 FIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnccc3[nH]2)C[C@H]2CCCC[C@@H]21 587026381 LDCNAMOAVPURHY-JLSDUUJJSA-N 366.490 4.094 0 1 FIAF Cc1c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075801 MPLQVHUKKJBZFS-UHFFFAOYSA-N 370.771 4.215 0 1 FIAF O=C1c2ccc(O)cc2OC2(Cc3ccccc3C2)[C@H]1c1ccc(F)cc1 587351584 KFZTZMLFDKGYJT-NRFANRHFSA-N 360.384 4.428 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)C(C)C)c1)O2 587389427 KISSLQPQKNBOHS-OAQYLSRUSA-N 352.434 4.052 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccsc4)s1)[C@@H](C2)C3=O 587450667 HFOWEJIIBNAIFN-YVEFUNNKSA-N 355.440 4.369 0 1 FIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587504816 KFVAHGYZDDXORO-YOMUGFJLSA-N 374.452 4.361 0 1 FIAF COc1cc(F)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587727094 AIFQOGASJMQRHV-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF CCc1cccnc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587773903 SAXNDBRLQHYKES-ZMZPIMSZSA-N 363.274 4.343 0 1 FIAF COc1ccc2c(c1)C1([C@H]3CCC[C@H]1CN(C(C)C)C3)N(C(C)C)CC2 962090034 IDMNPJZJQIYDEI-PMACEKPBSA-N 356.554 4.297 0 1 FIAF CCOC(=O)c1[nH]c(C)c([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1C 963099799 JYEMMWMIPIZFRL-OXJNMPFZSA-N 356.441 4.057 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2C=C(C(F)(F)F)C(F)(F)F 963633526 IQBPARNSNNJGLI-WCBMZHEXSA-N 369.305 4.330 0 1 FIAF CN(C)[C@H]1CN([C@H]2CCc3ccccc32)C[C@@H]1c1cn(C)c2ccccc12 1772583316 FSHDMQGGZOOJFU-NHTMILBNSA-N 359.517 4.195 0 1 FIAF Clc1ccc(/C=C/Cc2nn3c(-c4ccccn4)nnc3s2)cc1 1772621974 HQWFVFDGGIRTAD-ONEGZZNKSA-N 353.838 4.157 0 1 FIAF CCCOc1cccc2c1CCN(Cc1ccc([C@@H](C)NC(C)=O)cc1)C2 1772636399 JYGMNRQZKSZYGI-QGZVFWFLSA-N 366.505 4.231 0 1 FIAF CCCCC(=O)N(C)c1c(CC)nc2c(OCC(=O)C(C)(C)C)cccn12 61905250 FEGSFRVUCQCTHZ-UHFFFAOYSA-N 373.497 4.044 0 3 FIAF CSc1ccc(CN2CC[C@@]2(C)C(=O)Nc2ccc(C)c(O)c2)cc1 61926559 KBWQMMQXSWEXBU-FQEVSTJZSA-N 356.491 4.026 0 3 FIAF CCCCN1C[C@@H]2C[C@H](C1)CN(C(=O)c1ccc(Cl)c(Cl)c1)C2 1842194 ADQMNVHAQOZPOZ-OKILXGFUSA-N 355.309 4.187 0 1 FIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215152 RZYUDLQJUQIDHN-VRXWPRPYSA-N 374.525 4.224 0 1 FIAF COc1c(O)cc(-c2coc3cc(O)ccc3c2=O)cc1CC=C(C)C 14819476 CEXYMYPXHMUTTJ-UHFFFAOYSA-N 352.386 4.389 0 1 FIAF biogenic,in-vitro CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 26260850 UOAOMCIHXQMCHQ-SJORKVTESA-N 355.309 4.011 0 1 FIAF O=C(NC(=O)c1ccc2nccnc2c1)Nc1cccc(-c2ccccc2)c1 34055741 CEHDPNIVRONKKX-UHFFFAOYSA-N 368.396 4.259 0 1 FIAF Cc1ccc(COc2cc(-n3cnc4ccccc43)sc2C(N)=O)cc1 40380218 LGVVNIMZHUYDAQ-UHFFFAOYSA-N 363.442 4.073 0 1 FIAF O=S(=O)(Nc1cccc(Oc2cccc3cccnc23)c1)C(F)(F)F 40504841 RRRNPOPWNSIOBJ-UHFFFAOYSA-N 368.336 4.289 0 1 FIAF c1cn(CCCNc2ncc(-c3ccsc3)c(-c3nccs3)n2)cn1 45228216 ZJGXZQGEACIKFM-UHFFFAOYSA-N 368.491 4.027 0 1 FIAF FC(F)(F)Oc1ccc([C@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 49055417 FBDXSHRSQKPJSV-HZPDHXFCSA-N 370.334 4.447 0 1 FIAF C[C@H]1COc2c(F)ccc(F)c2[C@@]1(C)S(=O)(=O)c1ccc(Cl)cc1 49124572 DSOHLGSQEFZPGH-BTDLBPIBSA-N 372.820 4.336 0 1 FIAF COc1ccccc1[C@@H](O)c1nnc(Nc2cccc(C(C)C)c2)s1 82083204 KBQFYUKXBLWRCS-QGZVFWFLSA-N 355.463 4.495 0 1 FIAF Cc1cnc(N2CCC[C@@H]2C)nc1NCc1cccc(C(F)(F)F)c1 82202726 CIPCFVZQLLUVBW-ZDUSSCGKSA-N 350.388 4.405 0 1 FIAF COc1ccccc1CN(C(=O)CF)c1cccnc1Oc1ccccc1 84688711 URSOFMZOVMVVAZ-UHFFFAOYSA-N 366.392 4.385 0 1 FIAF O=c1cc(C(F)(F)F)n(CCCCN2CCCCC2)c2ccc(F)cc12 96909960 ZBCNUOHYWNVSRW-UHFFFAOYSA-N 370.390 4.426 0 1 FIAF COc1c(C)n(CCCCNc2ccnc3cc(Cl)ccc23)ccc1=O 96917794 JEUOSRKKABBSNM-UHFFFAOYSA-N 371.868 4.259 0 1 FIAF COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccccc1)c1ccccc1 101235165 ILLAFQLVCWQSQA-MRCUWXFGSA-N 370.408 4.406 0 1 FIAF COc1cccc(CNC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c1OC 103235000 XRGVDPCVXWRNCM-RHSMWYFYSA-N 371.502 4.299 0 1 FIAF Clc1ccc(CCO[C@H]2CCCC[C@H]2N2CCOCC2)cc1Cl 142328538 XYNMOULGJNGXPD-MSOLQXFVSA-N 358.309 4.196 0 1 FIAF O=C1NCCc2[nH]c(-c3c(F)ccc4ccc(Nc5ccccc5)nc34)cc21 222352148 GLCSICZREVNVTH-UHFFFAOYSA-N 372.403 4.399 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC)c(C)cc2[nH]1 586917012 QQHWFKYOJPCHRU-YCRPNKLZSA-N 350.418 4.096 0 1 FIAF CCc1ccc(-c2nc(-c3nc4c(C(=O)OC)ccnc4[nH]3)cs2)cc1 587016206 RRYAKEJAMBQQKR-UHFFFAOYSA-N 364.430 4.097 0 1 FIAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Br)ncc2[nH]1 587028094 NZFYJZQCNBYVOH-UHFFFAOYSA-N 360.240 4.147 0 1 FIAF Clc1ccc(CN2CCC[C@H]2c2nc3cc4c(cc3[nH]2)OCO4)cc1 587077631 VLIMZIUFWULSEW-INIZCTEOSA-N 355.825 4.282 0 1 FIAF Cc1cc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c(C)n1 587077777 ZZTCNGDCAUXTGZ-UHFFFAOYSA-N 353.813 4.063 0 1 FIAF CSc1ccc2nc(C(F)(Br)Br)[nH]c2c1 587087549 RKCQJHADCCJGEG-UHFFFAOYSA-N 354.042 4.154 0 1 FIAF N=C(N)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587103911 KTTAJACZWCBYGQ-UHFFFAOYSA-N 364.408 4.419 0 1 FIAF O=C1COc2cc3[nH]c(Cc4ccc(-c5ccccc5)c(F)c4)nc3cc2N1 587145231 JHGPFYPZOMWHFX-UHFFFAOYSA-N 373.387 4.291 0 1 FIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](C(N)=O)C3)c1 587362711 KRKJNIMNYUFCNF-CQSZACIVSA-N 372.424 4.247 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1cnccc1C)CC2=O 587489384 LWADDPOCAPXDGX-HSZRJFAPSA-N 374.440 4.352 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(CN(C)C)cs1)CC2=O 587496470 XZGFTLPPKVLKJD-HXUWFJFHSA-N 359.491 4.348 0 1 FIAF COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1Cl 587502135 TWUJOIVBIFBQJQ-KRWDZBQOSA-N 371.820 4.107 0 1 FIAF CS(=O)(=O)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)(F)F)c2c1 587649220 MIHPLIUJVOFFDS-UHFFFAOYSA-N 373.377 4.045 0 1 FIAF COc1ccc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587721920 WQTFVMFFBQPYCY-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587730147 WVRZYWRQLXNDKG-XLFHBGCDSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(CN(C)C)CCCC2)N1 587739434 GWLJHZOGSMPUQC-SJKOYZFVSA-N 369.322 4.286 0 1 FIAF C=Cc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587792529 OQGPVYGAQZTWCD-XLFHBGCDSA-N 364.262 4.060 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cc3ccccc3C2=O)N1 587829636 RRTVNHHNBYLHOK-NSPYISDASA-N 372.237 4.227 0 1 FIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)cnc2[nH]1 587928701 AZHUBQWCFSNBSL-PXAZEXFGSA-N 358.239 4.174 0 1 FIAF COc1ccc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1Cl 962618207 BQGWJURJQQWPOQ-CWTRNNRKSA-N 361.869 4.332 0 1 FIAF CCCCOc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccccc2)ccc1O 1772639760 SJOPNGWWZMBHTI-RBUKOAKNSA-N 354.446 4.146 0 1 FIAF C[C@H](NC(=O)C1CCCC1)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 2356376641 VJQCSZPUDUCYOG-JTQLQIEISA-N 362.813 4.061 0 1 FIAF Cc1ccccc1CN1C(=O)COCc2ccc(-c3cccc(CO)c3)cc21 205212947 MKTBAICHDVMOBH-UHFFFAOYSA-N 373.452 4.218 0 3 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OCC 4049525 WIYMYULHJCEQDA-PZJWPPBQSA-N 366.461 4.093 0 1 FIAF CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1ccccc1)O2 14962397 UNFLBFQTPYMDID-HXUWFJFHSA-N 371.436 4.290 0 1 FIAF O=C(CCCC[C@@H](O)Cc1ccccc1)c1ncc(-c2ccccn2)o1 14980119 WZLKAAQFNVCYKK-QGZVFWFLSA-N 350.418 4.083 0 1 FIAF O=C(O)CCCN1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 36093053 NGPUNXMZLNUELL-QUCCMNQESA-N 372.415 4.139 0 1 FIAF Brc1ccc(COc2cc3nncn3c3ccccc23)cc1 40913742 LPTFTQCKEJIOMP-UHFFFAOYSA-N 354.207 4.224 0 1 FIAF OCc1ccc(Nc2ncc(Cc3c(F)cccc3F)o2)cc1Cl 49113103 LBPJFBGZMAMHSW-UHFFFAOYSA-N 350.752 4.433 0 1 FIAF COc1cc2cc[n+](CCc3cccc(C(F)(F)F)c3)cc2cc1OC 71294426 HVSIPLDTMGTIPX-UHFFFAOYSA-N 362.371 4.406 0 1 FIAF O=C(O)c1cn(Cc2ccc3ccccc3c2)c2c(F)ccc(F)c2c1=O 71405048 CKUNFHKQOXCZMU-UHFFFAOYSA-N 365.335 4.179 0 1 FIAF CCCCCn1c(-c2cccc(O)c2)nc2c(NCC3CC3)ncnc21 82179679 VFHSSZKCVKUFMN-UHFFFAOYSA-N 351.454 4.211 0 1 FIAF CCCC[C@H](O)CSC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101364524 HUOIPUKSNAXOPY-TUJIYQMFSA-N 370.555 4.266 0 1 FIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccs2)C2=C(O)CCCC2=N1 103912846 VZOPGLBSALAYRG-ORAYPTAESA-N 373.474 4.279 0 1 FIAF O=N[C@H]1CCc2cc(-c3cn([C@@H]4CCC[C@@H]4O)nc3-c3ccncc3)ccc21 169686101 KWDGJDFHCLCZOX-HBMCJLEFSA-N 374.444 4.452 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@]32O)C1 255198835 BHAUPIBURFBEAG-BPYYJIIVSA-N 374.521 4.201 0 1 FIAF CCOC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1NC(=O)C1CC1 299869954 VRVDTLRDHZLCES-UHFFFAOYSA-N 359.451 4.029 0 1 FIAF CCCc1sc(=N)[nH]c1-c1nc2cc(Cl)cc(Br)c2[nH]1 587012675 FDEWVWJLMMKETD-UHFFFAOYSA-N 371.691 4.467 0 1 FIAF Cc1cncc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c12 587033233 FVSGWBUPCMDLEW-UHFFFAOYSA-N 370.478 4.288 0 1 FIAF COC(=O)c1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587050570 PRFLXBARQBIKGR-RKDXNWHRSA-N 362.216 4.322 0 1 FIAF Fc1ccc(S)cc1-c1nc2cccc(I)c2[nH]1 587141561 TWEADOAVYSOIMQ-UHFFFAOYSA-N 370.190 4.262 0 1 FIAF COC(=O)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2n1 587146042 WXRCCYRUKSMVDO-UHFFFAOYSA-N 365.339 4.357 0 1 FIAF Nc1cc(C(=O)O)cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587249918 SFEHEDLIQFOIOZ-UHFFFAOYSA-N 359.385 4.089 0 1 FIAF Cc1noc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351244 ZQCNOLNVPHUKSI-CTNGQTDRSA-N 367.376 4.410 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1OC)[C@@H](C2)C3=O 587420558 KZYLEXADBAUFIY-SCLBCKFNSA-N 364.319 4.211 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(CC(C)(C)C)CC2=O 587482433 NZKFMVKZWGLLLS-OAQYLSRUSA-N 362.466 4.438 0 1 FIAF COc1cc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587506858 QFRHRJNLUWVBNI-SFHVURJKSA-N 356.393 4.428 0 1 FIAF C[C@@]1(Cc2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611380 IFRVTWNEKMBHGZ-PXNSSMCTSA-N 352.411 4.417 0 1 FIAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(-c2ccc(Cl)cc2)nn1 587651301 GVXMTNFGSOMBJT-UHFFFAOYSA-N 369.211 4.150 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Cl)c2)N1 587706603 QVEGJOCQYQNKNW-ANRSDYALSA-N 355.638 4.260 0 1 FIAF COc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587808940 OTLQELOFDWWLLV-ADLMAVQZSA-N 364.258 4.395 0 1 FIAF CC(C)C(=O)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810242 CFHNDIGHXRNPAT-GTNSWQLSSA-N 356.279 4.343 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)s2)N1 587850430 YWLSKMLGKGOKKE-XXFAHNHDSA-N 369.303 4.339 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(s2)CCC3)N1 587857499 KNPJWQUBYVTMSM-VXJOIVPMSA-N 367.287 4.157 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCc1ccccc1 587871711 AHVMOPLYMLZBRR-UHFFFAOYSA-N 369.465 4.053 0 1 FIAF COc1ccc([C@@H](c2ccccc2)c2nc3c(Cl)ncnc3[nH]2)cc1 587931745 DDWNKDGRKOEUGY-OAHLLOKOSA-N 350.809 4.195 0 1 FIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccnc(Br)c2[nH]1 587931751 SRVTXMPHVDQNIT-DIFFPNOSSA-N 358.239 4.174 0 1 FIAF COC(=O)c1ccnc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc12 587956072 RVDWUCSLEWZRCL-SFHVURJKSA-N 357.413 4.119 0 1 FIAF COCCOc1cccc(F)c1[C@@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963110516 VOHMIWMLRBOESH-VGOFRKELSA-N 373.443 4.274 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccc(F)cc1F)C1CC1 963608655 LRLSJAFMRQXQKL-GTJPDFRWSA-N 359.416 4.170 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)[C@H](C)Oc1cccc(F)c1 963635629 NILCMRIFBUSXEJ-DGCWBMGLSA-N 359.441 4.060 0 1 FIAF CCCCCc1ccc(OCC(=O)Nc2cccc(C(=O)OC)c2)cc1 1772587969 HDBDOZJTIIABKV-UHFFFAOYSA-N 355.434 4.223 0 1 FIAF COc1cc(CN)ccc1-n1cnc2ccc(-c3ccnc4[nH]ccc34)cc21 1857753729 JSOXABQMWOYXGZ-UHFFFAOYSA-N 369.428 4.036 0 1 FIAF CC[C@H]1CCCCN1C(=O)c1cc(COc2ccc3ncccc3c2)on1 12431091 MQXBRAOUPWNEIL-INIZCTEOSA-N 365.433 4.207 0 3 FIAF CN(CCc1ccccc1)C(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 199391818 FZKNWZOIIGBRPN-UHFFFAOYSA-N 373.378 4.410 0 3 FIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 3978362 MPXJSJVWSXWSNI-CRDHFAFISA-N 372.505 4.265 0 1 FIAF CCOC(=O)[C@@]1(CCCc2ccccc2)CC[C@@]2(c3ccccc3)ON21 26485331 AHHYNRUAUCHPHR-AXWGZAFASA-N 351.446 4.205 0 1 FIAF COc1cc(NCCC[C@@H](C)N)c2cc(Br)ccc2c1OC 27560187 PJHSSJWAKCTGRG-LLVKDONJSA-N 367.287 4.159 0 1 FIAF CC(=O)N(C)c1ccc(-c2cn3cc(Br)ccc3n2)cc1C 28710757 WBGSJVGHIHHRTM-UHFFFAOYSA-N 358.239 4.055 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3cc(F)ccc23)c(C)c1 28820804 YRWDQTHLIAPQKR-HNNXBMFYSA-N 374.481 4.142 0 1 FIAF O=C1CCN([C@H]2CCCC[C@@H]2OCCc2c(Cl)cccc2Cl)C1 38494617 KRCDDYNOSQYZRA-ROUUACIJSA-N 356.293 4.139 0 1 FIAF COc1ccc2c(c1)OC1(CCN(Cc3cccc(C)c3)CC1)CC2=O 39227089 JDEGXXSLDIXTHO-UHFFFAOYSA-N 351.446 4.004 0 1 FIAF O=C(COc1ccc(F)cc1)Nc1nnc(-c2ccc3ccccc3c2)o1 66148593 LGHZQDQDUVHUIM-UHFFFAOYSA-N 363.348 4.046 0 1 FIAF COc1cc2c(cc1[C@@H](C)NC(=O)Cc1ccccc1)C=CC(C)(C)O2 96932040 DYUKCRHQNWNTFU-OAHLLOKOSA-N 351.446 4.299 0 1 FIAF CC(C)Cc1cc(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2n1 100743186 SMFRUGDEMNDDLK-IRXDYDNUSA-N 352.478 4.215 0 1 FIAF CC(C)OC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1 103172306 CCUXAFJOPOJSKZ-LLVKDONJSA-N 353.777 4.385 0 1 FIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 103918740 PLULYUUDDLRXDH-VBKZILBWSA-N 371.433 4.118 0 1 FIAF Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccccc4F)c3C2)nc1 114996855 GGDAJJXTRCEWJF-OAHLLOKOSA-N 363.440 4.055 0 1 FIAF NC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 167351613 FYHCCBZVJQITPS-DHZHZOJOSA-N 372.453 4.378 0 1 FIAF CC(=O)OC[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(C)=O 253654175 ZJNYSXYHIAEESM-WDVPHTIESA-N 374.521 4.059 0 1 FIAF Sc1nc(S)c2nc(-c3cc(Br)ccc3Cl)[nH]c2n1 586980353 PXSKAYXWZFNZQV-UHFFFAOYSA-N 373.688 4.013 0 1 FIAF Nc1ccc(O)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987187 LBHICGYLZPCPOH-UHFFFAOYSA-N 354.365 4.107 0 1 FIAF Fc1cc(Br)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587016132 GZIHZIOWXDWDMC-LLVKDONJSA-N 368.231 4.440 0 1 FIAF Clc1cccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)n[nH]2)c1 587067913 BFKZPISGDXUALT-UHFFFAOYSA-N 366.808 4.435 0 1 FIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cnc3ccccc3c2[nH]1 587109647 QLPIOYOFBZSLIK-UHFFFAOYSA-N 357.291 4.495 0 1 FIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cnccc4[nH]3)cc2F)c1 587143345 CULNEBBIJHJXBE-UHFFFAOYSA-N 363.348 4.138 0 1 FIAF Cn1nc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(F)c1O 587154617 CKXZMNAJYYKAOL-UHFFFAOYSA-N 365.393 4.085 0 1 FIAF Nc1cccc(C(=O)O)c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587248285 LQRKVCUKTOYTNW-UHFFFAOYSA-N 355.703 4.183 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(c2ccccc2)c2ccccc21 587398456 HMDCPNGZLIPMEH-HSZRJFAPSA-N 370.408 4.116 0 1 FIAF COc1ccc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596077 UKMJAGSARBEQIB-KNQAVFIVSA-N 362.381 4.412 0 1 FIAF C[C@]1(c2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598949 ZDJUVWFSZPOFMH-AVRDEDQJSA-N 372.380 4.146 0 1 FIAF CC(C)O[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587602508 YEVBFZGLFIBFEA-HMFYCAOWSA-N 368.429 4.316 0 1 FIAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1O 587605533 AVEVQDMNTQRGPA-SIKLNZKXSA-N 362.381 4.283 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc(O)ccc12 587607318 HWVQVTYNSCWVAL-NZQKXSOJSA-N 374.392 4.291 0 1 FIAF CCc1c(-c2c[nH]c(C(=O)O)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587624068 XMRUMTDLRUTKAO-UHFFFAOYSA-N 373.210 4.062 0 1 FIAF O=C(Nc1cccnc1)c1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587638421 PKDODXKESYYFNP-UHFFFAOYSA-N 357.369 4.180 0 1 FIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1N 587751649 YOXANCALSXHYTK-VOJFVSQTSA-N 363.274 4.277 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCO3)N1 587834904 NJGQAMOZRLPOQT-XTZNXHDOSA-N 362.242 4.147 0 1 FIAF CC(=O)SCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587847657 UZZKDIRHXKCUMX-BJOHPYRUSA-N 360.292 4.223 0 1 FIAF COc1ccc(C[C@H](C)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1OC 587927375 TVRHHLYTIRKPBX-JTQLQIEISA-N 365.355 4.340 0 1 FIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587951957 KMZGAAVETADZRN-MDKPJZGXSA-N 370.541 4.361 0 1 FIAF Brc1c[nH]c2nc(/C=C\c3cccc4ccccc34)nc-2n1 587967698 IOFKYLLOHNCHOC-HJWRWDBZSA-N 351.207 4.391 0 1 FIAF COc1ccc([C@@]2(Cc3cccc(F)c3)NCCc3c(C)ccnc32)cc1 963083525 CPSFJLOKEISMBN-HSZRJFAPSA-N 362.448 4.170 0 1 FIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(c4ccc(F)cc4C[C@H]4CCCN41)[C@H](C3)C2 963088296 DNMODDBXVHZYNG-UWCGURLWSA-N 369.480 4.041 0 1 FIAF Cc1c(O)ccc2c1[C@]1(CC[C@H](c3cccc(Cl)c3)C1)N[C@H](C(=O)O)C2 963521120 APMMOYXJWXIYPN-HZUJVAHNSA-N 371.864 4.116 0 1 FIAF COc1cccc(CN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c1 1203825045 CCPKHDVYSDXFCM-KKSHJYNMSA-N 352.522 4.090 0 1 FIAF COc1ccc([C@@H](C)Nc2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1 1857630667 ODJTYSRQAXYBFD-CABCVRRESA-N 365.477 4.202 0 1 FIAF CC=C(C)[C@H](O)[C@H](C)C=C(C)C=CC=CC=CC=C(C)C(=O)N[C@@H](C)CO 2356698880 SJFXXCHPVOUCOT-FSSWDIPSSA-N 373.537 4.008 0 1 FIAF c1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1 28473980 UOAVLAXEPDCMSM-UHFFFAOYSA-N 356.429 4.129 0 1 FIAF Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C(C)C 28522648 KRYJDLCTPNQQMJ-UHFFFAOYSA-N 366.436 4.430 0 1 FIAF CC(C)NCCCOc1ccc(-c2ccc(C(=O)NC(C)C)cc2)cc1 28760739 ZPPZJKQEWIAQSC-UHFFFAOYSA-N 354.494 4.259 0 1 FIAF CC[C@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2CC 29461893 JVCVLJBXDJSIPA-MPBLMAKGSA-N 351.874 4.056 0 1 FIAF CC[C@@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 40663067 BQLQSIRUAFRJJC-SFUZCSOBSA-N 367.533 4.369 0 1 FIAF NC1=NC2(CCCCC2)N(OCCCCCCC2CCCCC2)C(N)=N1 45194228 CGTUAHWZLLVOAG-UHFFFAOYSA-N 363.550 4.054 0 1 FIAF O=C1c2ccc(-c3ccc(F)cc3)cc2CCN1CCN1CCCCCC1 59112278 ULDQVOFOHYQSEB-UHFFFAOYSA-N 366.480 4.367 0 1 FIAF O=C(O)CCNC/C=C/c1ccc(OCCCCc2ccccc2)cc1 59616087 JAFSMSPUHYVEGB-UXBLZVDNSA-N 353.462 4.166 0 1 FIAF Cc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccccc2C)o1 82177371 DSCIIZMAPVOMRG-OAHLLOKOSA-N 350.422 4.006 0 1 FIAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@H]1C(C)(C)CCC[C@]1(O)CO)C=C2 85884643 VQUOAESRDYPVEX-BVSLBCMMSA-N 360.494 4.195 0 1 FIAF biogenic CC(=O)N1N=C(c2ccc(C)nc2)O[C@]1(C)c1ccc(-c2ccccc2)cc1 96932234 SCZLUDYYSJDADY-HSZRJFAPSA-N 371.440 4.470 0 1 FIAF CCCC[C@](C)(O)C1=CC[C@@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@H]3C1 100957097 LJTJQLDGHOLLEZ-JLLPCOHGSA-N 369.549 4.471 0 1 FIAF CCC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12CCOc1ccccc12 142114221 MDDQGDJGSXWQBN-LJQANCHMSA-N 374.412 4.247 0 1 FIAF COc1cc(-c2c(F)cc3[nH]cc(C(=O)O)c3c2F)ccc1C1(O)CCC1 221354686 DCVBWXNZXZVWKI-UHFFFAOYSA-N 373.355 4.191 0 1 FIAF O=c1nc[nH]c2[nH]c(-c3cccc4ccc(Oc5ccccc5)nc34)cc12 222208155 VKEUENNFSYBBIP-UHFFFAOYSA-N 354.369 4.259 0 1 FIAF Cc1c(Cc2ccc(Cl)c(Cl)c2)c(=O)oc2cc(O)cc(O)c12 224718857 JEZVIIFDHZUNDW-UHFFFAOYSA-N 351.185 4.410 0 1 FIAF CCCn1cnc2cc(-c3nc4ccc(C)nc4[nH]3)cc(Br)c21 587004478 USYLUGJWDARXHB-UHFFFAOYSA-N 370.254 4.456 0 1 FIAF N[C@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl 587056009 GMPLZWDYPHAFBB-LLVKDONJSA-N 355.747 4.357 0 1 FIAF N[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1Cl 587058816 ZUNXAGCYKGEFKG-LBPRGKRZSA-N 355.747 4.357 0 1 FIAF COc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1F 587080253 ODSWKYTXWAIEJY-CYBMUJFWSA-N 358.804 4.088 0 1 FIAF Fc1ccc(I)cc1-c1nc2cncc(Cl)c2[nH]1 587182701 OTAAEFLYQAPZFH-UHFFFAOYSA-N 373.556 4.022 0 1 FIAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1 587247926 YIGCAPXHNVYNRC-UHFFFAOYSA-N 369.384 4.064 0 1 FIAF CCOc1ccccc1-n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587391577 SICZHUVNQLGAOB-NRFANRHFSA-N 362.429 4.473 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc4cccc(Cl)c4n1)[C@@H](C2)C3=O 587420873 JPJHZIFMYSOFGV-RBZFPXEDSA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCOc4cc(C)c(C)cc41)[C@@H](C2)C3=O 587453461 OUNBLUSFMKXCME-JTSKRJEESA-N 350.414 4.128 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(C)nc1Cl)CC2=O 587463099 WENLIFXQAUEWKV-ZDUSSCGKSA-N 367.232 4.456 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3nn(C)cc13)CC2=O 587474305 DUIONPSNIUMYTQ-OAQYLSRUSA-N 350.418 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3cnn(C)c13)CC2=O 587475083 JBIPKDVBRIYOAI-OAQYLSRUSA-N 350.418 4.112 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C1(C(=O)O)CC1)CC2=O 587480034 DYEITLVSVHKECB-JOCHJYFZSA-N 366.413 4.070 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(Cc2ccccc2)C[C@H]1C 587481107 XUVGUAUIQDHGPR-MWTRTKDXSA-N 365.473 4.201 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)c(F)c1 587566941 CHDXMOBXNJNPKL-MAUKXSAKSA-N 371.751 4.283 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1F 587566957 CNQJVEQWILLSBK-YLJYHZDGSA-N 354.308 4.373 0 1 FIAF Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587661233 VDQCXQBIDBBHSQ-UHFFFAOYSA-N 358.372 4.200 0 1 FIAF Fc1ccc2c(c1)OCC[C@@]21c2cccc(F)c2CCN1[C@H]1CCSC1 962700738 KIVMJEYJHQWSJV-YCRPNKLZSA-N 373.468 4.355 0 1 FIAF CCc1ccc([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962702576 BIDOIHLMNXZFGA-RHSMWYFYSA-N 353.409 4.220 0 1 FIAF C1=C([C@H]2NCCc3nc4ccccn4c32)COc2ccc3ccccc3c21 962986520 IKLCKNOCYPGDLU-JOCHJYFZSA-N 353.425 4.150 0 1 FIAF Cc1cc(C)cc(-c2cc([C@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)on2)c1 963027411 NWPSKHRYWNYOEH-MWTRTKDXSA-N 373.456 4.101 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@]12C(=O)Nc1cc(F)c(Cl)cc12 963242962 QTWALWHSILLOIC-MPBGBICISA-N 358.844 4.331 0 1 FIAF CC1=CCC[C@H](C(=O)O)CCC[C@H](C(=O)O)[C@H]2C[C@@H](CC1)C(C)(C)O2 2356392651 KWEBFCAMVUQYNP-VVLHAWIVSA-N 352.471 4.262 0 1 FIAF C/C=C/C[C@H](C)C[C@]1(C)Oc2c(-c3ccc(O)cc3)cnc(O)c2[C@@H]1O 2382236370 YEPWHNWXZSEUJV-FHPWBMGPSA-N 355.434 4.337 0 1 FIAF CCOC(=O)C1(CC2CC2)CCN(Cc2ccc3cccc(F)c3n2)CC1 12305870 HZTLTYCMOOANMG-UHFFFAOYSA-N 370.468 4.319 0 3 FIAF Cc1ccc(NC(=O)[C@]2(C)CCN2Cc2ccccc2OC(F)F)cc1 61908961 CKOAKKHWGBVOAR-FQEVSTJZSA-N 360.404 4.200 0 3 FIAF COc1cccc(/C=C2\C[C@@]3(OC(=O)c4ccc(F)cc4)CCCN2C3)c1 96018880 MXVQDPDKCQBSJF-PSXBWXLBSA-N 367.420 4.271 0 3 FIAF CN1[C@@H]2CC[C@@H](OC(=O)C(F)(c3ccccc3)c3ccccc3)[C@H]1CC2 29469317 PXPFOIYLNCPFCA-XUVXKRRUSA-N 353.437 4.068 0 1 FIAF CC[C@@H](C)NC(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1 82133239 BAAJNDZDXDTHRZ-OAHLLOKOSA-N 352.482 4.417 0 1 FIAF COCCO[C@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 95590157 SXVNZFOIDCRHRH-DSQUVOCVSA-N 369.505 4.344 0 1 FIAF COC12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2NCCNC/C=C(\C)CCC=C(C)C 101863793 BJOKLVJCEGAZJQ-WABMFAFKSA-N 360.586 4.452 0 1 FIAF CC[C@@H](C)Nc1c(-c2c(F)cc(F)cc2F)c(F)nc2nccnc12 103171117 LESPWCHSBKLAIY-MRVPVSSYSA-N 350.319 4.459 0 1 FIAF Clc1ccc(C23CCN(CC2)Cc2cc(N4CCOCC4)ccc23)cc1 114350275 YCAOLYRUUFDEGF-UHFFFAOYSA-N 368.908 4.072 0 1 FIAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2O)nc1 145184914 HBYVHGWAORLXSV-UHFFFAOYSA-N 354.406 4.471 0 1 FIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cnccn2)c1 205944224 ILYOSZCYMVDOCJ-UHFFFAOYSA-N 359.307 4.295 0 1 FIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3c(C)c(Br)cnc3[nH]2)cc1 586892294 WJUWCFVEWKKCIK-ZUZCIYMTSA-N 360.255 4.174 0 1 FIAF Brc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587040889 IWDYKLAEMGMXMR-JKSUJKDBSA-N 374.307 4.272 0 1 FIAF CSc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587123606 IXSIWMCXTPIZKP-SDBXPKJASA-N 367.400 4.456 0 1 FIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(Cl)ncnc2[nH]1 587247869 VTNLEGJAYMKBRR-UHFFFAOYSA-N 365.824 4.421 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(OC)OC)ccc1F)CC2=O 587466188 KJOAQRDZFVCUCN-IBGZPJMESA-N 374.408 4.482 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(OC)cccc1OC)CC2=O 587478982 LGNDXFSQHAVSKJ-OAQYLSRUSA-N 356.418 4.243 0 1 FIAF Cc1nccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587586373 BWCUBVYYAUUHBN-KNQAVFIVSA-N 372.380 4.280 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(F)c2)N1 587724623 KJHSTIUZSFUVRH-ZKANADHPSA-N 354.194 4.057 0 1 FIAF CC(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812265 PTJACNFVQOBYMV-DYZYQPBXSA-N 356.279 4.343 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(O)cc32)N1 587830907 FTMIUDWOZOHBKB-YPMLDQLKSA-N 362.242 4.018 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCC2CCOCC2)N1 587835503 PEVPJRNJOAEURS-GTNSWQLSSA-N 356.279 4.370 0 1 FIAF CC1=CC[C@H]([C@@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)CC1 962698956 DGBOUPKZNBKBGP-LIXBPZJASA-N 371.374 4.405 0 1 FIAF C[C@@H]1C[C@]2(NCCc3c(C(=O)O)cccc32)c2cccc(Br)c21 963125298 SRXAKRGLSLRTIG-NSPYISDASA-N 372.262 4.044 0 1 FIAF CCCN1[C@@H](c2ccc(-n3cncn3)c(F)c2)c2ccccc2C[C@H]1C 963256155 AQZCOFMVFHZCQT-VFNWGFHPSA-N 350.441 4.152 0 1 FIAF COc1cc2c(cc1OC)[C@@H](CCCCN(C)Cc1ccccc1)OC2=O 1911583325 BFOLHWGNFSYYKO-LJQANCHMSA-N 369.461 4.218 0 1 FIAF CCCNC(=O)[C@]1(C)CCN(Cc2ccc(Oc3ccccc3)cc2)C1 61905098 BANPHKIGUSMZQN-JOCHJYFZSA-N 352.478 4.217 0 3 FIAF COC(=O)C1=CCC[C@H]2[C@]1(C)CC[C@H](C)[C@@]21C[C@H](c2ccoc2)OC1=O 5760014 PCYSFZDXGZBRMA-LHPBXRBSSA-N 358.434 4.200 0 1 FIAF Cc1ccc(OCc2ccnc3c2NC(=O)c2cccnc2N3C2CC2)cc1 5930939 PWNAGMZXXALXRZ-UHFFFAOYSA-N 372.428 4.230 0 1 FIAF COc1cc(O)c2c(c1)O[C@H](c1ccc(OCC=C(C)C)cc1)CC2=O 13334210 XTBZRPYCQNETRR-IBGZPJMESA-N 354.402 4.452 0 1 FIAF biogenic COc1cc2c(c3occ(-c4ccc(O)cc4)c(=O)c13)C=CC(C)(C)O2 13436966 YHHXGURSYSXKNO-UHFFFAOYSA-N 350.370 4.358 0 1 FIAF biogenic CC(C)c1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1 13676108 YPUQYQDIGYVJSA-UHFFFAOYSA-N 364.474 4.185 0 1 FIAF CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCCCCc1ccccc1 13755851 URCLAPJDGVZELV-IBGZPJMESA-N 374.525 4.163 0 1 FIAF COc1c2c(c(OC)c3occc13)O[C@H](c1ccccc1)[C@H](OC)[C@@H]2OC 15045236 DUBHYVXCUVFSJU-ZTNFWEORSA-N 370.401 4.286 0 1 FIAF biogenic Cc1nnc(Nc2ccc(F)cc2)c2c1nnn2Cc1ccccc1Cl 20447544 OPMHFJXUOAHDIR-UHFFFAOYSA-N 368.803 4.114 0 1 FIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4C=C(O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26404145 ZFZLLLFBWBJQJN-HZOWKKAVSA-N 370.537 4.386 0 1 FIAF CCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc2c(=O)ccoc12 27899620 JVIJMLZZSVLALB-UHFFFAOYSA-N 368.385 4.031 0 1 FIAF C[C@]12CCC(=O)C=C1[C@H]1C[C@H]1[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 40465104 RRHHMFQGHCFGMH-GEEOLVQLSA-N 354.490 4.450 0 1 FIAF FC(F)(F)CNc1nc(Nc2ccc3ncccc3c2)nc2[nH]ccc12 43154988 YILNSSYLYDJPCY-UHFFFAOYSA-N 358.327 4.224 0 1 FIAF COc1ccccc1C1(O)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 45505752 JPSSDJSKUUWHMS-NHJWOMDBSA-N 362.473 4.191 0 1 FIAF COc1cc(OC)cc(Oc2cc(NCc3ccccc3F)ncn2)c1 82067725 PBLSKYMXEKMHFR-UHFFFAOYSA-N 355.369 4.037 0 1 FIAF O=C(Nc1ccc(C2=NCCN2)cc1)c1sc2sccc2c1Cl 84687623 JWPRWMPHQIIUEK-UHFFFAOYSA-N 361.879 4.218 0 1 FIAF O=C(Nc1ccc(C2=NCCN2)cc1)c1sc2ccccc2c1Cl 84690218 KYYVFXLCDRLKOX-UHFFFAOYSA-N 355.850 4.157 0 1 FIAF CC(C)(C)OC(=O)n1cc(CNC(=S)N2CCCCC2)c2ccccc21 96938454 CLCZHIKGCCEBMX-UHFFFAOYSA-N 373.522 4.285 0 1 FIAF O=C1c2ccccc2[C@@](O)(c2ccc3cc[nH]c3c2)N1Cc1ccccc1 116256858 WZHGSVOEEQEFNW-QHCPKHFHSA-N 354.409 4.017 0 1 FIAF Cn1c(-c2c(Cl)cccc2Cl)nc2c(NC(=O)C3CC3)nccc21 118749735 OZZBTVGQWIBTTR-UHFFFAOYSA-N 361.232 4.291 0 1 FIAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)OC(C)C)cn1 142063433 ALVAVNDRCKJBPX-UHFFFAOYSA-N 352.390 4.189 0 1 FIAF COc1ccc(C2=NN(C3CCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1Cl 146987831 HZXQJGPDTRZCNX-HZPDHXFCSA-N 358.869 4.420 0 1 FIAF C[C@H]1c2[nH]c3cc(Br)ccc3c2Cc2c(O)n(C)c(=S)n21 169729596 LZWPQEJYBSNFKW-ZETCQYMHSA-N 364.268 4.019 0 1 FIAF CC(C)[C@H](CO)NCc1nc([C@H]2CC[C@H](C(F)(F)F)CC2)ccc1F 261121476 JOWFKFXTPBDYEY-DCGLDWPTSA-N 362.411 4.163 0 1 FIAF COc1ccc2c(c1)oc(=O)c1c(C)nn(-c3ccc(C(F)(F)F)cc3)c12 299828803 WVOOIWLLFXXQLM-UHFFFAOYSA-N 374.318 4.468 0 1 FIAF Cc1cncc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c12 587030205 AWKXLCOFLUSARB-UHFFFAOYSA-N 359.252 4.493 0 1 FIAF Nc1ncnc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12 587141168 MUTHKBNODJKUOG-UHFFFAOYSA-N 369.400 4.173 0 1 FIAF Nc1ccc(-c2ccc3nc(-c4cc(S)ccc4F)[nH]c3c2)cc1N 587142579 GDVNQZIZJIDKHL-UHFFFAOYSA-N 350.422 4.489 0 1 FIAF Cc1ccc(C)c(CC(=O)c2c(CO)oc3cc(Br)cnc23)c1 587274392 UWNBMBSTFNIMHU-UHFFFAOYSA-N 374.234 4.125 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(Cl)cc4)c1)[C@@H](C2)C3=O 587421330 LXHCBIUCVGIXJB-JXFKEZNVSA-N 366.804 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1Cc1ccccc1OC)[C@@H](C2)C3=O 587441185 FDEXMSDRQZRTJO-CEXJFXJFSA-N 364.441 4.233 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)OC(F)(F)O3)CC2=O 587464981 DIUHPEMNIUXABS-MRXNPFEDSA-N 362.328 4.373 0 1 FIAF CCCC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587482505 OUIHXOVANFQMRL-KKSFZXQISA-N 362.466 4.438 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)OC)cs1)CC2=O 587495355 QHDJOUSPQRAMJY-LJQANCHMSA-N 360.431 4.073 0 1 FIAF C=C1NC(C)=Cn2nc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587528367 YGHMEJLAWUVIOY-JOCHJYFZSA-N 361.445 4.035 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc[nH]n2)o1 587596747 RRSDHSDVZIOXDI-WIYYLYMNSA-N 374.352 4.078 0 1 FIAF C[C@@]1(Cc2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617565 KIDWWARZJXIONG-PXNSSMCTSA-N 352.411 4.417 0 1 FIAF Cc1nc2ccccn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587774958 OQVGNIBIECLWCJ-BTDLBPIBSA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 587826085 GHLMVQVUCIZPMY-ZJONYGFMSA-N 366.274 4.097 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3cncc(Br)c3[nH]1)CC2 587937802 NWWUTMVWFYZBAG-LLVKDONJSA-N 358.239 4.002 0 1 FIAF C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccccc1 1772612076 KTKRIDYZLMZXDC-LPHOPBHVSA-N 374.481 4.057 0 1 FIAF C=CC(=C[C@]1(C)CCCC(C)(C)C1)[C@@H]1[C@H](OC(C)=O)O[C@@H]2OC(=O)C[C@H]21 2356617641 LKUHGEWOMPMDBN-RFCWIEKVSA-N 362.466 4.130 0 1 FIAF Cc1cnc(NC(=O)N2CC[C@H](Nc3ccc(Cl)c(C)c3)C2)s1 2382259014 NIHIHADVFOFNPM-ZDUSSCGKSA-N 350.875 4.132 0 1 FIAF COC(=O)c1cccc(C)c1[C@@H]1CN=N[C@]12Cc1c(ccc(C)c1C)C2=O 5539648 GXSBZKKCZNVIIN-PGRDOPGGSA-N 362.429 4.126 0 1 FIAF Cc1cc(Nc2ccc(NS(C)(=O)=O)cc2)c2c(ccc3[nH]ccc32)n1 6009956 QVNPXCCXWJJTAK-UHFFFAOYSA-N 366.446 4.140 0 1 FIAF CN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H]1CCCC[C@@H]1N1CCCC1 6018054 FYKYWEMMAMBGMQ-MSOLQXFVSA-N 369.336 4.401 0 1 FIAF O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCCN(CC2CC2)C1 11661801 SYFFJRVTBIXRGV-SFHVURJKSA-N 374.488 4.290 0 1 FIAF COc1ccc(-n2ccc3c(sc4nccc(NC5CC5)c43)c2=O)cc1 35284360 ZUUBRGCTXRXCLV-UHFFFAOYSA-N 363.442 4.183 0 1 FIAF in-vitro Cc1cc2ncn(-c3nccc(NCc4ccc(F)c(C)c4)n3)c2cc1C 45229921 GKKAAKDLHBYSCJ-UHFFFAOYSA-N 361.424 4.492 0 1 FIAF O=C(Cc1ccccc1)c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1 45283450 KXORCUKBSWBOBF-QFIPXVFZSA-N 360.409 4.187 0 1 FIAF Cc1cc(OCCCCc2ccccc2)ccc1/C=C/CNCCC(=O)O 59615599 GAUBCPICJGRPMP-YRNVUSSQSA-N 367.489 4.474 0 1 FIAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCCCCCCc1c[nH]c(N)n1 66097788 QWYUDMXGXNYPEO-BPQIPLTHSA-N 364.534 4.282 0 1 FIAF O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccc(F)cc1 66111886 BMDQHMWITGBSNM-OAQYLSRUSA-N 367.807 4.329 0 1 FIAF Cc1ccc(NC(=O)N2CCCN(C(=O)CCC3CCCC3)CC2)cc1 71318874 PBORMSXACWGICM-UHFFFAOYSA-N 357.498 4.032 0 1 FIAF O=C(CCc1cccs1)N1CCC(c2nc(-c3cccs3)no2)CC1 71330170 ZISXNIXEUVILDS-UHFFFAOYSA-N 373.503 4.198 0 1 FIAF CC(=O)Nc1cccc(Oc2cc(NCc3cccc(Cl)c3)ncn2)c1 82067822 WBPNRBAANFTGLR-UHFFFAOYSA-N 368.824 4.493 0 1 FIAF COc1cc(-c2ccc(C3=NN=C4c5ccccc5C(=O)[C@H]34)cc2)ccc1O 96142366 UJXHFCUDFSABHX-HXUWFJFHSA-N 368.392 4.087 0 1 FIAF Cn1cc(C(=O)N2CCC[C@@H]3c4cccc(O)c4CC[C@@H]32)c2ccccc21 96169343 SASQKHSTARPTCJ-IERDGZPVSA-N 360.457 4.219 0 1 FIAF CC(=O)OC[C@@]1(O)C[C@]23CC[C@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@H]1C3 100656431 PTGGVIKFNQSFBY-NDLLKGBYSA-N 358.478 4.210 0 1 FIAF O=C(C[C@@H](C(=O)Nc1ccccc1)n1ccnc1)c1cccc2c1CCCC2 169340245 QYQMHIHKNOEOLE-NRFANRHFSA-N 373.456 4.215 0 1 FIAF COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1ccccc1 169344145 XVXYJLRWEQBRMA-UHFFFAOYSA-N 361.323 4.152 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)C[C@@H]2CC[C@@H]1N2C 169354185 VMRNKEYMTOGQHV-WOZUAGRISA-N 353.437 4.232 0 1 FIAF Cc1nc2ccc(F)c(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1NC(C)(C)C 206128456 GPGQKMLTKINISD-SECBINFHSA-N 367.428 4.087 0 1 FIAF CCC[C@]12CCN(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 254153254 WSCLPRQUHNBBNR-RBBKRZOGSA-N 365.477 4.447 0 1 FIAF COc1cccc([C@H]2CCN(c3ccc(-c4ccncc4)c(OC)c3)C2=O)c1 584630233 TWFDUKHRUBWSII-OAQYLSRUSA-N 374.440 4.286 0 1 FIAF Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)NC5CC5)cc34)cc2)cn1 584639718 ALVRKNONSXJKLX-UHFFFAOYSA-N 368.440 4.195 0 1 FIAF O=C1O/C(=C/c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc21 586907733 WDLMDMAKYDWJGG-KPKJPENVSA-N 359.154 4.133 0 1 FIAF O=C(NCc1nc2cc(Cl)c(Cl)cc2[nH]1)c1cc2c(s1)CCC2 587033790 AXKHODJPHLPXCX-UHFFFAOYSA-N 366.273 4.350 0 1 FIAF Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1C 587145317 WKDFWWDVLCGIIA-CQSZACIVSA-N 362.246 4.324 0 1 FIAF C[C@]1([C@H]2CCCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361037 XGFBYNRFAZQVKZ-UQIDSAAFSA-N 356.393 4.076 0 1 FIAF Cc1cc(C)cc([C@@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587395854 VAVGXHOBAXJUMF-QHCPKHFHSA-N 358.441 4.498 0 1 FIAF O=C1C[C@H](c2cnc(-c3ncccn3)s2)Oc2c1ccc1c2CCCC1 587535080 ICBCPRRVWQTHQY-MRXNPFEDSA-N 363.442 4.185 0 1 FIAF O=C1C[C@@H](c2ncc(Br)s2)Oc2c1ccc1c2CCCC1 587535358 KJLNBNRZETUTNW-ZDUSSCGKSA-N 364.264 4.491 0 1 FIAF COc1ccc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587720665 TVOQYGWGGCQKQM-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cnc2Cl)N1 587737323 ZHESPJHFRHIOBD-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cccnc32)N1 587779421 SFOKMCSBCRHQSB-VOJFVSQTSA-N 361.258 4.097 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C=O)cs2)N1 587847870 MELMHKPQBIWPII-ABKXIKBNSA-N 368.271 4.260 0 1 FIAF CCCCCCNC(=O)c1sc2nc(OC)c(Cl)c(C)c2c1N 653708992 DTOGDTXPZSUFLV-UHFFFAOYSA-N 355.891 4.159 0 1 FIAF COc1ccc2c(c1)[C@@](C)([C@@H](N=O)C(=O)c1ccccc1)N(C(C)C)CC2 962094751 XDKYDBHGQYREIY-VXKWHMMOSA-N 366.461 4.195 0 1 FIAF COc1ccc2c(c1)[C@](c1ccncc1)(c1ccccc1N)N(C(C)C)CC2 962095623 ZJDQAZIIACDRAO-DEOSSOPVSA-N 373.500 4.231 0 1 FIAF CC(C)c1cnc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962731483 SMFZDWKKNRHURG-OCCSQVGLSA-N 354.397 4.002 0 1 FIAF C[C@]1(Cc2cc(Cl)ccc2Cl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962905501 QFZCXOYIXYXSGX-FUHWJXTLSA-N 368.235 4.189 0 1 FIAF Cc1sc2c(c1C)CCN[C@@]21c2ccccc2NC(=O)c2ccccc21 963008094 JEHDQOQTPCWIEI-QFIPXVFZSA-N 360.482 4.368 0 1 FIAF Cc1ccnc2c1CCN[C@@]2(c1ccccc1)c1oc2ccc(N)cc2c1C 963069490 MZNQIPAONZQUNZ-XMMPIXPASA-N 369.468 4.464 0 1 FIAF CC(C)(C)OC(=O)N1CCC12CC1(C2)c2c(F)cccc2C[C@@H]2CCCN21 963097237 FWDYXKXZNQLNFG-XDGVHFHYSA-N 372.484 4.215 0 1 FIAF CC(=O)O[C@@H]1CC(C)=C[C@H](O)C[C@@H](C)C=C[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]12 1857742308 VUXOPRKKIFEKKX-AFKSGPCISA-N 364.526 4.015 0 1 FIAF COc1c2c(c3ccc(=O)oc3c1C=CC(C)(C)OC)OC(C)(C)C=C2 2356557180 DOXLEULKLKKQAR-UHFFFAOYSA-N 356.418 4.424 0 1 FIAF CO[C@@]1(CC(C)=CCCC(C)=CC(=O)OCc2ccoc2)C=C(C)C(=O)O1 2356751328 UCSUUUDHPKKOSU-OAQYLSRUSA-N 374.433 4.232 0 1 FIAF CC[C@H]1CN2CC[C@H]1C[C@H]2COC(=O)Nc1cccc(C(F)(F)F)c1 2356866767 VOUIYZULMOEQEV-XEZPLFJOSA-N 356.388 4.374 0 1 FIAF CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1c(Cl)cccc1Cl 61926019 LXGONHKOCHSEMK-GOSISDBHSA-N 371.308 4.295 0 3 FIAF COc1ccc(-n2c3c(c4cc(O)ccc42)Cc2ccccc2C3=O)cc1 1662854 RWGKMWMTDQXQHF-UHFFFAOYSA-N 355.393 4.480 0 1 FIAF CCn1nnc(-c2cc(C)c(OCCCCCc3cc(C)no3)c(C)c2)n1 3590239 KMPOFIZXMCFIRK-UHFFFAOYSA-N 369.469 4.065 0 1 FIAF COc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)CCC2)cc1 13744710 PEFAUWXXLMGENF-UHFFFAOYSA-N 373.250 4.098 0 1 FIAF COc1ccc(C[C@@H](C)[C@H](C)C(=O)c2ccc(OC)c(OC)c2)cc1OC 14646587 SRJOMSFZTGEQFM-CABCVRRESA-N 372.461 4.419 0 1 FIAF biogenic COc1ccc(/C=C/C(=O)N[C@@H](CCN(C)C)c2ccc(Cl)cc2)cc1 28653933 ZNDMSFIIKSPGLP-JCRIEJSWSA-N 372.896 4.171 0 1 FIAF Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(-c3nnn[nH]3)cc2)cc1 34867401 VQNSFIPZNLIAGC-UHFFFAOYSA-N 370.338 4.047 0 1 FIAF C[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 66139813 CUNXRJULRVVRTI-AWEZNQCLSA-N 363.417 4.021 0 1 FIAF CCOC(=O)[C@H]1CCCN(Cc2coc(-c3ccc(C(C)(C)C)cc3)n2)C1 72183603 LVVOTGJVUIYIGP-KRWDZBQOSA-N 370.493 4.414 0 1 FIAF CO[C@@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 101038312 DRRFJWRBSWXNFW-PLACYPQZSA-N 373.443 4.321 0 1 FIAF C[C@H](C[18F])OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N(C)C2 169292583 ZSLWUVZDXDAKIP-GOXVWNONSA-N 352.868 4.055 0 1 FIAF COCO[C@H]1C[C@@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@@H]1N2C 169359216 VFUQRJKBLCJEIH-CMOCDZPBSA-N 367.489 4.017 0 1 FIAF O=C1c2ccccc2C(=O)N1CCCCCCCNCc1ccc(F)cc1 201709375 UCDNIEFZLVXXCD-UHFFFAOYSA-N 368.452 4.162 0 1 FIAF O=C(NCCCc1ccc(Cl)cc1Cl)[C@H]1CCc2ncsc21 220856378 KIDBFQHKPPYBMG-LBPRGKRZSA-N 355.290 4.229 0 1 FIAF OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 231936005 GJFCEMOCWVYDKT-TXDRGDLJSA-N 364.570 4.405 0 1 FIAF Nc1ccnc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587072362 ZJGFEOAECBAERH-UHFFFAOYSA-N 350.809 4.440 0 1 FIAF C[C@@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)n1cc(Cl)cn1 587082949 ZHUUQEMFDPJPBM-LBPRGKRZSA-N 350.809 4.253 0 1 FIAF COC(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1OC 587088276 VPPVLXVMUPPOIU-UHFFFAOYSA-N 355.781 4.160 0 1 FIAF NC(=O)c1cccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587095135 QJDXCNPODFVFBB-UHFFFAOYSA-N 373.256 4.366 0 1 FIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccnc(O)c3[nH]2)c1 587195598 JVXXYMWDTUCVRU-UHFFFAOYSA-N 354.410 4.010 0 1 FIAF CCN(CC)C(=O)COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587212420 IVAICFDTFRABLY-UHFFFAOYSA-N 360.457 4.248 0 1 FIAF O=C(c1c(CO)oc2cc(Br)cnc12)C1CCCCCC1 587277065 XWTPAMACWBHNHS-UHFFFAOYSA-N 352.228 4.236 0 1 FIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](NC(C)=O)C3)c1 587364060 ZUVOEIDJIZTNGA-KRWDZBQOSA-N 358.397 4.390 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](c3nccn3C)C1)CC2=O 587471303 PPKNNAFEVZPHMK-SPLOXXLWSA-N 354.450 4.140 0 1 FIAF O=C1C[C@@H](c2ccn([C@@H]3CCCCO3)n2)Oc2c1ccc1c2CCCC1 587516015 QJHXJVFEQPBBEH-PMACEKPBSA-N 352.434 4.168 0 1 FIAF COCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587522232 GHWTXNZXANIZDG-NRFANRHFSA-N 352.430 4.427 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(c1ccccc1)C2 587580000 AXRSCLXZZLQNDU-NZQKXSOJSA-N 373.408 4.003 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1(c2ccccc2)CC1 587604568 WVJXRJSQUUDURB-KNQAVFIVSA-N 358.393 4.454 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)nc2)N1 587706962 TXKWNINLFUOXLI-GLEZIHRCSA-N 355.638 4.260 0 1 FIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc1F 587738280 MJAXJYPDCMTZOP-BJOHPYRUSA-N 353.210 4.054 0 1 FIAF CC(C)Cn1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587763631 KQEHFAUJBYYSDL-PIGZYNQJSA-N 366.278 4.064 0 1 FIAF Cc1nc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc1C 587855569 WQVANNJTVFSZLD-VPTHRUTESA-N 369.303 4.459 0 1 FIAF COc1cccc2cc3c(nc12)[C@H](C1CC(C)(C)OC(C)(C)C1)NCC3 963044927 FKAJXEIRHSQQDK-IBGZPJMESA-N 354.494 4.414 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC)[C@@H](CC(=O)OC)C(=O)CC 963242923 QRHOFVAWDLJYHZ-WVBUVRCRSA-N 359.510 4.107 0 1 FIAF CC[C@@H]1CC[C@@]2(C1=O)c1cc(OC)ccc1CCN2Cc1ccc(F)cc1 963300878 IVPAOHREOSZRSP-HXOBKFHXSA-N 367.464 4.477 0 1 FIAF O=C(Nc1ccccc1)N1CCN(c2ccc(Cl)c3[nH]ccc23)CC1 1857650586 WIJUXAHWWWCMOV-UHFFFAOYSA-N 354.841 4.175 0 1 FIAF Cc1cc(-c2noc(C(C)C)n2)ccc1Oc1ccnc(C(=O)N(C)C)c1 1857760911 YWKHQLXKKVVERI-UHFFFAOYSA-N 366.421 4.058 0 1 FIAF Cc1c(C(=O)NC2CCCCC2)sc2ncnc(N3CCC(C)CC3)c12 2924474 IBPGICVIHOWZMM-UHFFFAOYSA-N 372.538 4.299 0 1 FIAF CS(=O)(=O)c1ccc(-n2cc(CF)nc2-c2ccc(Cl)cc2)cc1 3814617 NRJOYHYYECHFEN-UHFFFAOYSA-N 364.829 4.066 0 1 FIAF Cc1cccc2c1N(C(=O)/C=C\C(=O)O)[C@@H](c1c(C)[nH]c3ccccc13)C2 5722810 DTNZRPUSXRQORW-RXQFDZFGSA-N 360.413 4.056 0 1 FIAF CC[C@H](Cc1ccccc1)NC(=O)c1nnc(Cc2ccccc2Cl)o1 6822440 SJUWHQIJIFRQMD-MRXNPFEDSA-N 369.852 4.065 0 1 FIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(C(F)(F)F)ccc21 28964590 QLDCRXZBQVZDEZ-OAHLLOKOSA-N 360.339 4.391 0 1 FIAF CCCCCC(=O)Nc1ccc2cnn(Cc3ccccc3C(=O)O)c2c1 29472185 SZUYNQWEXLPPPH-UHFFFAOYSA-N 365.433 4.302 0 1 FIAF CCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 100705715 XAEZBBKAWZEFOT-UHFFFAOYSA-N 351.431 4.352 0 1 FIAF O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 140571856 IFUDRLSXETXJHT-LVCYWYKZSA-N 352.522 4.399 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2Cc1ccccc1 169369272 AOTHPBKOMYVVMW-JSXRDJHFSA-N 353.437 4.135 0 1 FIAF Cc1c(Br)cnc2[nH]c(CCCCc3cccc(O)c3)nc12 586896466 RIDPLKQTHJDRAC-UHFFFAOYSA-N 360.255 4.300 0 1 FIAF CC(C)COc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Br 586915078 ADRXARJBSQTSBB-UHFFFAOYSA-N 365.271 4.254 0 1 FIAF CCO[C@@H](C)c1nc(C)c(-c2nc3cncc(Br)c3[nH]2)s1 587013973 FCCLRPUSWZRKHN-QMMMGPOBSA-N 367.272 4.250 0 1 FIAF Brc1cncc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587022590 RGCXAGLIWXRKSH-UHFFFAOYSA-N 371.263 4.435 0 1 FIAF O=C(O)c1cc(F)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029380 OXYPCWJNGJNHSM-UHFFFAOYSA-N 369.377 4.103 0 1 FIAF COc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)c(C(F)(F)F)c1 587098903 ZKZDBQJSNBVRQX-UHFFFAOYSA-N 352.312 4.275 0 1 FIAF N=c1[nH]ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587111926 TVPFNNVJLRZSLS-UHFFFAOYSA-N 374.288 4.193 0 1 FIAF Cc1cc(C)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 587119513 YUKDPKDUPUWLIN-UHFFFAOYSA-N 361.327 4.098 0 1 FIAF N[C@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C[C@@H]1c1ccccc1F 587157050 REFWZRYVJSRQSF-UZUQRXQVSA-N 371.415 4.275 0 1 FIAF Cc1cncc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182589 KDNYCFTUZXLNAU-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](O)c1ccccc1)O2 587404440 QGYOCLMKIDRKIR-GOTSBHOMSA-N 359.425 4.172 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587418908 FAMIOZCAKJNNCW-GTNSWQLSSA-N 352.283 4.342 0 1 FIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(OCc2ccccc2)C1 587485061 YHJYLMJRLPUOEE-UHFFFAOYSA-N 352.430 4.428 0 1 FIAF C/C(=C\[C@@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587536669 YZBMOZNMSIVAPL-OSJHKOOESA-N 368.502 4.348 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccncc23)N1 587801686 HTJDFOYKWHXKTG-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nc[nH]c3c2)N1 587803365 PODRUAPMUJGBFU-VVVCHXIZSA-N 360.230 4.088 0 1 FIAF CC[C@H](CCC(=O)OC)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587804644 DUJSNZUYSKXZKQ-RVPKQNPDSA-N 372.278 4.143 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(O)ccc32)N1 587831574 ICJDMNSXWNLJFQ-XTZNXHDOSA-N 362.242 4.018 0 1 FIAF O=C1CS[C@H](c2ccccc2Br)c2cc(Cl)cnc2N1 653810021 MZMXNGPAQDHQPR-CYBMUJFWSA-N 369.671 4.272 0 1 FIAF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccccc1)C(F)(F)Cl 963045480 GEXJAQOXTLFFBQ-IBGZPJMESA-N 374.818 4.464 0 1 FIAF CC(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1F 1857583845 CPNJHDRQKZGTPH-HXUWFJFHSA-N 351.425 4.144 0 1 FIAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@H]2C(C)(C)CCC[C@]21C 2356544217 IEAUFJOLHRNYMW-RVEDGADZSA-N 364.526 4.015 0 1 FIAF CCOC(=O)c1ccc(-c2c(-c3ccc4c(c3)OCO4)noc2C)cc1F 12474479 FTEBEGBNEICEPL-UHFFFAOYSA-N 369.348 4.362 0 3 FIAF CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 1583484 UFBHHWPUVXVFRG-BTYIYWSLSA-N 352.386 4.239 0 1 FIAF biogenic COc1ccc(OC)c(Nc2ncnc3onc(-c4ccc(F)cc4)c23)c1 20940399 ASMQCBLNJLULOF-UHFFFAOYSA-N 366.352 4.185 0 1 FIAF CN(CCOc1ccc(-c2ccccc2)cc1-c1ccccc1)CC(=O)O 28958320 PPBBWOJZDYSTEN-UHFFFAOYSA-N 361.441 4.416 0 1 FIAF CC[C@@H]1[C@H]2CCCCn3c([C@H]4C[C@H](C)C(=O)O4)cc(c32)[C@@H]2[C@H](C)C(=O)O[C@@H]21 35967041 RFGMIDHPFYCJDM-YZNSQRCTSA-N 371.477 4.065 0 1 FIAF Cc1c(Cc2c(F)cccc2F)nc(SCc2ccccc2)[nH]c1=O 40917720 JQUYFAXHTFONIJ-UHFFFAOYSA-N 358.413 4.240 0 1 FIAF COc1cccc(C(=O)NCc2cccs2)c1OCc1ccccc1 45196206 PWMXYKRNFIAJGM-UHFFFAOYSA-N 353.443 4.266 0 1 FIAF CCc1c(C)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)nc1C 45496105 WQDSRUPITCFRKZ-MRXNPFEDSA-N 365.861 4.227 0 1 FIAF CC(=O)Nc1cccc(Oc2cc(NCc3cc(F)cc(F)c3)ncn2)c1 82068279 MACPSTDFZKIHTE-UHFFFAOYSA-N 370.359 4.118 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2ccccc2F)n1 82152700 HFPBVGBJYWIXBN-AWEZNQCLSA-N 356.445 4.119 0 1 FIAF CCOC(=O)C1(c2ccccc2)CCN(CCCc2ccccc2)CC1 95563023 JIUNTGIKLXHBHH-UHFFFAOYSA-N 351.490 4.216 0 1 FIAF Cc1nc(-c2cccnc2)sc1C1=NN[C@H](c2ccc(F)cc2F)C1 95586155 HGTWMYFIUHVDTB-HNNXBMFYSA-N 356.401 4.230 0 1 FIAF C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 95601849 VHDONQFQZYLFHS-CQSZACIVSA-N 359.385 4.296 0 1 FIAF CCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccccc1O 101239321 OQGSFPZZJWUOST-UHFFFAOYSA-N 356.514 4.334 0 1 FIAF CCNC(=S)N1N=C(c2ccccn2)C[C@@H]1c1cccc2ccccc12 103191361 CJXVQCHMFCTJCH-HXUWFJFHSA-N 360.486 4.280 0 1 FIAF Cc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)cnc(=O)n1C 221000634 SIGMOABZPODTJD-UHFFFAOYSA-N 355.825 4.213 0 1 FIAF CC(=O)O[C@@H]1/C=C(\C)CC[C@@H]2[C@@](C)(C/C=C(\CO)C1)CC[C@@]2(O)C(C)C 238752681 GKQBGOCRINYHSS-KATYQSMCSA-N 364.526 4.161 0 1 FIAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@@]12C 238773069 MGXRFKNRAHZEED-YZVKACDVSA-N 362.510 4.225 0 1 FIAF O=S(=O)(Cc1ccccc1-c1nc2ccc(F)cc2[nH]1)c1ccccc1 586922057 PJWBNCOVKLBGLQ-UHFFFAOYSA-N 366.417 4.343 0 1 FIAF CCCC(Br)(CCC)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586971806 YCTNEZDEEPDYHJ-UHFFFAOYSA-N 366.303 4.455 0 1 FIAF N[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl 587056012 GMPLZWDYPHAFBB-NSHDSACASA-N 355.747 4.357 0 1 FIAF COc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cn1 587064399 JUPDBNJLDNYCAU-UHFFFAOYSA-N 355.781 4.459 0 1 FIAF COc1ccc(-c2ccc(-c3nc4c(N)ccnc4[nH]3)c(F)c2)c(F)c1 587150250 BLDOARDDBXLQJF-UHFFFAOYSA-N 352.344 4.161 0 1 FIAF COc1ccccc1Cn1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587392110 WLOGGCPPPQKKIP-OAQYLSRUSA-N 362.429 4.142 0 1 FIAF COc1ccc(-c2ccncc2)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587396314 YZBHYFGTFMPCMA-OAQYLSRUSA-N 360.413 4.354 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCOc4c(Cl)cc(C)cc41)[C@@H](C2)C3=O 587424191 XNEIEXLUEVUINO-QKKBWIMNSA-N 370.832 4.473 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2c1ccccn1 587587471 MZBCLLOVFRXGCJ-NIJIEXERSA-N 373.408 4.455 0 1 FIAF CC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587614332 RWHQIPLQSXOQCV-XLIONFOSSA-N 366.394 4.359 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2N)N1 587693435 DGGMMGRMFOAVIT-PWJLMRLQSA-N 369.665 4.447 0 1 FIAF COc1cccc(F)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587722911 UIMRBWLWFOESHI-XYZCENFISA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ncc2F)N1 587726885 AABMVEXZBXFSSO-KWKYVRJSSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2n[nH]c3ccccc23)N1 587792200 HBIQWPPSKUOPIP-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF CCc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587851116 AHMNYZGPQBZBRB-RMLUDKJBSA-N 355.276 4.231 0 1 FIAF Cc1ccc(C2(c3ccc(C)cc3)NCCc3nc4ccccn4c32)cc1 962987332 VWWABCCKKTWVPP-UHFFFAOYSA-N 353.469 4.389 0 1 FIAF OCCCC[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831481 GTCNIVAWCDAJNY-OAQYLSRUSA-N 350.462 4.096 0 1 FIAF COc1cccc(C(=O)Nc2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1 1772576637 KQMSODGJRGECNJ-UHFFFAOYSA-N 359.385 4.196 0 1 FIAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)c(OC)c3[C@H](O)C[C@H]21 1772624972 JMZGKSYACKOYRT-XWOARTFESA-N 360.494 4.493 0 1 FIAF CCCCCCOc1cc(Cl)c2c(CCC(=O)O)c(C(=O)O)[nH]c2c1 1857758935 ZFPCHYJCZVFAIV-UHFFFAOYSA-N 367.829 4.496 0 1 FIAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@H](O)C[C@H](C)[C@@]12C 2356675326 QYNLGACHLVBTPP-RDOPLNBPSA-N 360.450 4.138 0 1 FIAF COc1ccc2c(c1)[C]1O[C@H]([C@](C)(Cl)Br)CC1=C(C)N2 2356811236 MOKQAYDROBMYHZ-ZFWWWQNUSA-N 357.655 4.414 0 1 FIAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1C3=CC=C(C4=CC(=O)OC4)[C@]3(C)CC[C@@H]12 3897196 CJAOKHQEBDVGKO-ZKSJLFORSA-N 354.490 4.330 0 1 FIAF biogenic CCCc1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1 49784143 OTYXTYLIRVLRQT-UHFFFAOYSA-N 362.401 4.205 0 1 FIAF COc1c(O)cc2c(c1CC=C(C)C)O[C@H]1c3ccc(O)cc3OC[C@@H]21 59204698 YCHHZTNKPZYPLQ-LPHOPBHVSA-N 354.402 4.225 0 1 FIAF biogenic Cc1ccc(CNc2ncnc3c2nc(C(C)C)n3C[C@H]2CCCO2)cc1 82179351 ODCSZHITSUIGMY-QGZVFWFLSA-N 365.481 4.049 0 1 FIAF CCS(=O)(=O)c1ccc2[nH]c(-c3cncc(-c4ccccc4)c3)nc2c1 84688372 YVJHUNTXORFZSN-UHFFFAOYSA-N 363.442 4.086 0 1 FIAF CO[C@@H]1OC(=O)[C@@H]2CCC([C@]3(C)CCCC(C)(C)C3)=C([C@@H](C)C(=O)O)[C@@H]12 85803284 FKJMFFZJNWGYKI-OHYOEGMISA-N 364.482 4.166 0 1 FIAF biogenic CN(C(=O)c1ccncc1)c1ccc(OCc2ccc3ccccc3n2)cc1 96914935 OUKKASCLDKRILK-UHFFFAOYSA-N 369.424 4.485 0 1 FIAF COc1ccc(/C(O)=C/c2nc3ccccc3n(-c3ccccc3)c2=O)cc1 101865042 JSUJUKDCTFAOHG-JCMHNJIXSA-N 370.408 4.450 0 1 FIAF aggregator Cc1cc(O)c(-c2ccc(CCN)c(F)c2)c2c1[nH]c(=O)c1sccc12 165093346 XKBLATUMVDPEFV-UHFFFAOYSA-N 368.433 4.064 0 1 FIAF Cc1cn(Cc2ccc(O)c(C(C)C)c2)c2ccc(OCC(=O)O)cc12 299855510 FNWZRDTVDWJDMC-UHFFFAOYSA-N 353.418 4.290 0 1 FIAF O=S(=O)(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C1CCCC1 586925424 ZLWBATAGOPUUEA-UHFFFAOYSA-N 366.792 4.093 0 1 FIAF COc1cc(OC)c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2c1 587132553 DDIVDUMIWXAHBT-UHFFFAOYSA-N 369.179 4.257 0 1 FIAF O=C(CCc1nc2ccc(C(F)(F)F)cc2[nH]1)Nc1cccc(F)c1 587162181 HTTUIIVTRLBGTJ-UHFFFAOYSA-N 351.303 4.292 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)cs1)[C@@H](C2)C3=O 587453358 RWLQVNKBUQAWMX-BONVTDFDSA-N 351.221 4.008 0 1 FIAF COc1ccc(-n2cccn2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587517593 QKIFKEHNKZVBQU-QFIPXVFZSA-N 374.440 4.466 0 1 FIAF CCOC(=O)[C@H](c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523617 LFSDRPKXFORDIN-LEWJYISDSA-N 364.441 4.246 0 1 FIAF C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566925 CDDMVXLKUIXWPF-NQIIRXRSSA-N 350.345 4.408 0 1 FIAF Cc1cc(C)cc(C(=O)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604433 WRLMDHAHQFQQAI-WMZHIEFXSA-N 374.392 4.222 0 1 FIAF CC[C@H](CCC(=O)OC)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587807183 LJXUSMJYJWFTCQ-RVPKQNPDSA-N 372.278 4.143 0 1 FIAF CC(C)[C@H]1C[C@@]2(CS1)N[C@H](C)Cc1cc(Br)c(F)cc12 587858492 RGZZGRKSDLFGJJ-GTTSAUCSSA-N 358.320 4.479 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)OC(C)C 587864222 HUEYBJNWYCJEOR-GFCCVEGCSA-N 370.371 4.421 0 1 FIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)c(OC)cc2[nH]1 587928091 WJJFMJMOKVBHCJ-CYBMUJFWSA-N 356.422 4.139 0 1 FIAF Cc1ccc([C@@]2(c3ccsc3)NCCc3c2c(C(C)C)nn3C)cc1 962921953 UYJGASHYRUSHSW-NRFANRHFSA-N 351.519 4.351 0 1 FIAF NCCN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(Cl)cc1 1772577058 NORRLTIRUOQMIQ-UHFFFAOYSA-N 360.738 4.103 0 1 FIAF CCc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1 1857545383 HUGLZWCGBSHYCX-UHFFFAOYSA-N 357.500 4.269 0 1 FIAF CC=C[C@H]1[C@H](C(=O)OCc2c(F)c(F)c(COC)c(F)c2F)C1(C)C 1857627257 KVIZNNVXXNFLMU-NWDGAFQWSA-N 360.347 4.281 0 1 FIAF Cc1cccc(C(=O)n2cc(C(=O)Nc3ccccc3)c3cccnc32)c1 1857656836 ITSQSOWMEKYNCM-UHFFFAOYSA-N 355.397 4.286 0 1 FIAF CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C=C(C)C[C@H](C)[C@@H]1OC(=O)[C@H]1CC 2356551198 UNBMQQNYLCPCHS-OGQIGFOHSA-N 352.515 4.159 0 1 FIAF Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cccs2)c1C 12586580 WEFAONPHSNHNKH-INIZCTEOSA-N 351.475 4.358 0 3 FIAF O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccoc1 1890596 MSFUZAMPTKIWRH-WEVVVXLNSA-N 366.156 4.391 0 1 FIAF Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OC(=O)N(C)C)ccc12 26486300 FYJOEXCNDTYNGR-UHFFFAOYSA-N 351.402 4.061 0 1 FIAF Cc1cccc(-c2cc(NCCCN3CCN(C)CC3)c3ccccc3n2)c1 28241962 VTSKAJACDNYCHK-UHFFFAOYSA-N 374.532 4.260 0 1 FIAF COc1ccc(Cn2cnc3c(-c4ccco4)nc(C(F)(F)F)nc32)cc1 28877879 DMJXNBBIUSYSEO-UHFFFAOYSA-N 374.322 4.162 0 1 FIAF Fc1ccc(-c2[nH]cc(CCCN3CCOCC3)c2-c2ccncc2)cc1 43013647 RHNYOTYYWXIEJE-UHFFFAOYSA-N 365.452 4.148 0 1 FIAF O=C(O)[C@@]1(F)CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 66263301 KYVIFZVYZUQCME-JOCHJYFZSA-N 353.437 4.397 0 1 FIAF COc1ccccc1Nc1nnc([C@H](O)c2ccc(F)c(Cl)c2)s1 82078840 LQNFHKBFXTZQFL-CQSZACIVSA-N 365.817 4.165 0 1 FIAF COc1ccc(OC)c(CN(C(=O)CF)c2cccc3cc(C)oc23)c1 84689776 FQOIWQXLJZKTDB-UHFFFAOYSA-N 357.381 4.261 0 1 FIAF OC1=C2C(=Nc3ccnn3[C@H]2c2ccc(F)c(Br)c2)CCC1 100789276 GQUKOTYKCDLZDP-INIZCTEOSA-N 362.202 4.456 0 1 FIAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cc(F)cc(F)c3CC[C@@H]21 117629506 QQXUKQJRPQLZTL-YWZLYKJASA-N 367.399 4.176 0 1 FIAF O=C(Cc1cccc(Cl)c1Cl)N1CCCC[C@@H]1CN1CCCC1 136162481 NIOPFEXMUHPPFY-OAHLLOKOSA-N 355.309 4.013 0 1 FIAF investigational COc1cc2c(Cc3cnc4ccc(O)cc4c3)cnc(C)c2cc1OC 145124053 LBBMNLBZGLUCDE-UHFFFAOYSA-N 360.413 4.405 0 1 FIAF CCCCn1c(O)c2n(c1=O)[C@H](c1ccccc1)c1[nH]c3ccccc3c1C2 169717796 JETUAPJRWQHIOG-OAQYLSRUSA-N 373.456 4.179 0 1 FIAF CC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)[C@@H](C)C3=O)cc2)s1 169720260 XEQHWSXEFMCDDT-WLRWDXFRSA-N 358.484 4.398 0 1 FIAF COc1cc(C[C@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)ccc1O 238737546 HXXQPTLVFPWDAK-YHPQYGKZSA-N 356.418 4.084 0 1 FIAF Cc1oc2c(c1C)[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@H](CC[C@@](C)(O)[C@@H]1C)C2=O 238775458 JSUOPHWQXCMPKR-YULHOKEWSA-N 362.466 4.136 0 1 FIAF C[C@@H]1CC[C@@H]2[C@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 253791469 SGGGMRQESKILIB-KFUGMGASSA-N 370.489 4.466 0 1 FIAF O=C1c2ccccc2N2O[C@]3(N4CCCC4)CCC[C@H]3[C@@]12c1ccccc1 254135578 QXRMPRQQGNQQQF-MZYLBHOOSA-N 360.457 4.122 0 1 FIAF Cc1ccn(CCCc2ccc(CCCn3ccc(C)cc3=N)cc2)c(=N)c1 377820928 FACMIBQQEYBTSQ-UHFFFAOYSA-N 374.532 4.131 0 1 FIAF CC1(C)COc2c(-c3nc4c(F)cnc(Br)c4[nH]3)cccc21 586911374 HWKMFSZOFGJMQL-UHFFFAOYSA-N 362.202 4.197 0 1 FIAF CCc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1Br 586976129 CZJGWNRWMILILX-UHFFFAOYSA-N 363.186 4.392 0 1 FIAF Cc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1C 587044065 YJHSANFPLCYVSX-MRXNPFEDSA-N 357.866 4.489 0 1 FIAF Cn1cc(-c2nc3ccc(Br)c(O)c3[nH]2)c(C(F)(F)F)c1 587111733 HJJYMXLUIJMNKJ-UHFFFAOYSA-N 360.133 4.055 0 1 FIAF Fc1cncc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 587177040 LVOWAHBVJNXFSJ-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4cncc(C)n4)c1)[C@@H](C2)C3=O 587434901 BREQWBKQAATYQI-JTSKRJEESA-N 374.396 4.075 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1cc(C)cc(C)c1)[C@@H](C2)C3=O 587437381 ZGEXSWRNWSOLHB-RDPSFJRHSA-N 371.436 4.398 0 1 FIAF CCc1ccc(-c2c[nH]nc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587438577 GRSZWIBBAUKYNL-OPAMFIHVSA-N 360.413 4.136 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(CP(=O)(OCC)OCC)CC2=O 587489438 UYCBTMAXFOXCSR-GOSISDBHSA-N 370.382 4.335 0 1 FIAF CCc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615032 VBCWNQLFEMNAHP-CRAIPNDOSA-N 353.399 4.114 0 1 FIAF CC(C)[C@@H]1C[C@@]2(CS1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617901 MCCUBXLVBNEDAC-ZWOKBUDYSA-N 356.443 4.254 0 1 FIAF Nc1c(-c2ncn(Cc3ccccc3)c2N)[nH]c2cc(Cl)c(F)cc12 587632376 VTCPGYBXVSKJRZ-UHFFFAOYSA-N 355.804 4.037 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(O)cc2F)N1 587723120 VLCVODBOCYOWIE-GYKQLYQFSA-N 372.184 4.196 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ncc2F)N1 587726891 AABMVEXZBXFSSO-ZIDLFYJRSA-N 373.628 4.399 0 1 FIAF CNc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587742690 LWGJDOJLMIMFRG-ADLMAVQZSA-N 363.274 4.428 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c([nH]2)CCCC3)N1 587802318 LCNRPRSVYMFFCU-YPMLDQLKSA-N 363.274 4.419 0 1 FIAF CC(=O)C[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587815079 XYCNIHUINFRMTR-PIGZYNQJSA-N 356.279 4.343 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3C[C@H]2CCC3=O)N1 587825472 DSXLKRICURVCMU-VNKCHVJCSA-N 366.274 4.097 0 1 FIAF COc1cc(C2(c3nc4cc(Br)c(C)nc4[nH]3)CC2)ccc1C 587924739 DEUBDEXNOGCANS-UHFFFAOYSA-N 372.266 4.426 0 1 FIAF COc1ccc(-c2ccc([C@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)o2)cc1 963033133 PUTUWLNRLQHYTD-CMJOXMDJSA-N 374.440 4.098 0 1 FIAF COCCOc1cccc(F)c1[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963110514 VOHMIWMLRBOESH-JTSKRJEESA-N 373.443 4.274 0 1 FIAF CCOC(=O)CCCC[C@]1(c2ccccc2C)NCCc2ccc(O)cc21 963343841 XFZMQDBKGMASMQ-HSZRJFAPSA-N 367.489 4.213 0 1 FIAF Nc1ccccc1NC(=O)c1ccc(C[C@@H]2Cc3ccccc3C2=O)cc1 28826555 YFWNJSPBMVKFTH-GOSISDBHSA-N 356.425 4.119 0 1 FIAF CCc1cccc(C)c1CNc1cc(-c2ncnn2C)cn2c(C)c(C)nc12 40973495 IJGCNVPTZVEOMQ-UHFFFAOYSA-N 374.492 4.230 0 1 FIAF COc1ccccc1/C(=C/CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1 66252448 NLECWSNYHFBKLL-CVNFFVDQSA-N 365.473 4.314 0 1 FIAF CC1(C)[C@H]2C[C@H]1CC[C@@H]2CN1CCC(N2C(=O)Cc3ccccc32)CC1 100859929 VBVYMUJWPFCVLU-GGPKGHCWSA-N 352.522 4.112 0 1 FIAF Cc1c(Cl)cccc1N(C)C(=O)COc1onc(C(F)(F)F)c1C 103198539 HZHFXOQQPMEQDG-UHFFFAOYSA-N 362.735 4.005 0 1 FIAF COC(=O)/C1=C\CC[C@]2(C)O[C@H]2CC/C(C)=C/[C@]2(C)OC(=O)C(C)=C2CC1 169339243 FHHKQTZHOLIJSW-OBXQOCDYSA-N 374.477 4.176 0 1 FIAF Cc1c(Cc2c(F)cccc2Cl)nc(SC2CCCC2)[nH]c1=O 169352178 VJJPAOHSPIZCGX-UHFFFAOYSA-N 352.862 4.496 0 1 FIAF CC(C)N(C=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 169713966 LTWNPNPVOVXRJF-YKMMNSNLSA-N 374.569 4.085 0 1 FIAF COC(=O)[C@]1(/C=C2\c3ccccc3[C@@H](OC)[C@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 195369421 ASIWMRFKVKKMJP-QFHULOACSA-N 362.425 4.125 0 1 FIAF CO[C@H]1CCC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201111213 LQIBQKJUPJGWMQ-QZKYGZFJSA-N 371.521 4.038 0 1 FIAF CCCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCC[C@@H]3[C@H]2C1=O 254113496 GGXWBZNRHZUBAJ-CFGMGRTJSA-N 350.462 4.324 0 1 FIAF Cc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 586984418 LZHREKJFDWBZOX-MRXNPFEDSA-N 371.282 4.214 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(O)cc1C3 586991086 LDPUBYZIHJWZCE-UHFFFAOYSA-N 351.361 4.429 0 1 FIAF Fc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1F 586996823 ZSEUEWDJUWISEN-UHFFFAOYSA-N 352.182 4.258 0 1 FIAF O=S(=O)(c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1)C(F)(F)F 587026819 XUDOWEBRFDHWJY-RJRFIUFISA-N 358.366 4.088 0 1 FIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(S)nc(S)nc2[nH]1 587067214 YZDCNENNPUYYOX-UHFFFAOYSA-N 373.894 4.350 0 1 FIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587070620 SZCPXPARAMYETG-QMMMGPOBSA-N 357.738 4.058 0 1 FIAF Cc1ccc2c3c(cc(-c4cc(C(=O)O)no4)nc13)-c1ccccc1C2=O 587097888 UCODPAVSVNRHIL-UHFFFAOYSA-N 356.337 4.108 0 1 FIAF COc1ccc(C(=O)c2ccccc2-c2nc3cncc(C)c3[nH]2)cc1F 587145521 ZYNUBUKPHBVHDK-UHFFFAOYSA-N 361.376 4.312 0 1 FIAF C=CC(=O)Nc1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 587244201 MXWVCKYILCEKCP-UHFFFAOYSA-N 369.428 4.186 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Br)cc1Cl)O2 587373464 QVHWNHUYXYGUFJ-ZDUSSCGKSA-N 367.630 4.095 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CCCCN1C(=O)OC(C)(C)C)O2 587393399 HYTUOBPBBRSRNX-UTKZUKDTSA-N 374.481 4.091 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@H](C1)N3Cc1ccccc1)O2 587402132 YWFPMYIFHCQSDR-CYGODWOOSA-N 362.473 4.108 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)OC(C)(C)C)cc1)O2 587402487 YLKCDUXGWUMARK-GOSISDBHSA-N 353.418 4.239 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(N3CCCC3)c1)CC2=O 587475417 OCSXBTYRWBYSBA-IBGZPJMESA-N 352.434 4.046 0 1 FIAF Cc1cnn(Cc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c1 587516322 CEKUUNYSLXYLTE-NRFANRHFSA-N 362.429 4.418 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(Cl)c1 587550486 WMRQKOHLDNBXIU-YLJYHZDGSA-N 368.772 4.454 0 1 FIAF CCC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585568 DPBAIPPBTXLJGO-UGKGYDQZSA-N 361.397 4.444 0 1 FIAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599141 WBUJFNUDKMAATE-DENIHFKCSA-N 362.381 4.494 0 1 FIAF Oc1c(-c2ccc(F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587623071 YDFCERXBVFAFAV-UHFFFAOYSA-N 364.149 4.458 0 1 FIAF CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)cc1 587631631 RISVTQZFPQKVOV-UHFFFAOYSA-N 359.788 4.480 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(C(C)(C)C)N1 587740311 JEQRGHOHAUWWGV-PKRAZPIQSA-N 369.322 4.439 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ocnc3c2)N1 587777872 DOUAQNOFZJVDIS-HUTHGQBESA-N 361.214 4.353 0 1 FIAF Cc1[nH]c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587789052 BJLFXAVJQNASJT-QPFGOUBPSA-N 351.263 4.465 0 1 FIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587820532 DPCBKEOTLJQHGT-DYZYQPBXSA-N 350.231 4.226 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CC(C)(C)C2)N1 587823758 RKFGEAZJRXHXRD-BMLIUANNSA-N 354.263 4.097 0 1 FIAF CCC[C@H](O)[C@@]1(CCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587826041 JLGFCPHESSBDBL-HYSWKAIVSA-N 358.295 4.279 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CCCO[C@@H]1C2(C)C 587840961 LABVDNSERCBRTI-MNYDMIQKSA-N 368.290 4.153 0 1 FIAF COc1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc1OC 587929225 SWUUZUQPUOOUBK-UHFFFAOYSA-N 373.412 4.013 0 1 FIAF CC1=C(C)[C@]2(CC1)N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962929750 TVEBVWVVUNGJGQ-UNMCSNQZSA-N 365.429 4.109 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21c2ccccc2CC12CCOCC2 963112510 PVEJORQQXXNJTR-RDPSFJRHSA-N 363.476 4.443 0 1 FIAF Nc1nc(Nc2cccc(Br)c2)c2c(n1)-c1ccccc1C2 1772577247 GPZMBZBFURQTKV-UHFFFAOYSA-N 353.223 4.136 0 1 FIAF Cc1ccc(Nc2nc(-c3cc(C(=O)N4CCCCC4)no3)cs2)cc1 1772632948 UYZCPQJZFCFWFD-UHFFFAOYSA-N 368.462 4.476 0 1 FIAF C[C@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3ccc4nccnc4n3)cc21 1857570248 QFRKQFHXQAHZJO-HSZRJFAPSA-N 366.424 4.144 0 1 FIAF O=C(O)Cc1ccccc1OCc1cccc(-c2ccc3c(c2)CNCC3)c1 1911573555 PKSHGMOAJDEGBL-UHFFFAOYSA-N 373.452 4.205 0 1 FIAF O=C1OC[C@H]2CCN(Cc3ccc(Cl)cc3)Cc3ccc(F)cc3N12 2356289892 CUIFTBIMJKFRNR-QGZVFWFLSA-N 360.816 4.210 0 1 FIAF Cc1cc(NC(=O)CC(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 603132 MEAGUOMGJAPVGX-UHFFFAOYSA-N 357.406 4.338 0 1 FIAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)N[C@H](C)C(C)C)cc1 774375 AFBKSVSEDWWAFR-CYBMUJFWSA-N 354.406 4.385 0 1 FIAF CC(C)c1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 2472345 KUNDQOUNLAGZRM-MSOLQXFVSA-N 351.429 4.269 0 1 FIAF CC(C)(C)OC(=O)n1c(-c2ccc(OCCO)cc2)cc2ccccc21 28822986 JXAZDEXRLDFYHT-UHFFFAOYSA-N 353.418 4.463 0 1 FIAF O=C(Nc1nccs1)c1c(C(F)(F)F)nc2c(Cl)cccc2c1O 29233218 SWEOEPZUVXVPLC-UHFFFAOYSA-N 373.743 4.321 0 1 FIAF CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2[C@H]1O3 29567642 GVRIVFLIGBHYRA-OAQYLSRUSA-N 362.429 4.102 0 1 FIAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccsc2)O[C@H]1c1cccnc1 36242502 MNZKTVZKROTVFA-SGAFSXBUSA-N 359.447 4.357 0 1 FIAF CCC1(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccc(F)cc2)CCCCC1 38147592 XIZQCMRURAZCEL-LJQANCHMSA-N 358.501 4.234 0 1 FIAF O=S(=O)(c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(F)(F)CF 40641129 CXQWROXUIYGEHU-UHFFFAOYSA-N 366.364 4.080 0 1 FIAF O=C(NCc1ccc(Oc2ccccc2)cc1)C(=O)c1c[nH]c2ccccc12 45245721 GVQZUOYNFSQUFF-UHFFFAOYSA-N 370.408 4.459 0 1 FIAF COc1cc(SC)c(Br)cc1-c1nc2ccncc2[nH]1 45301944 TZOHAFUBIOTHMV-UHFFFAOYSA-N 350.241 4.118 0 1 FIAF Nc1ncnc2c1c(-c1ccc3ccccc3c1)nn2CCc1ccccc1 64531903 YFPORDWIOKIJNS-UHFFFAOYSA-N 365.440 4.471 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]21C 85993557 IEAUFJOLHRNYMW-WTIABLRWSA-N 364.526 4.015 0 1 FIAF in-man CC[C@@H](C)[C@@H](CNC)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@H](C(C)C)C1 101282664 RJHIDTUVERQXBY-RCQJKQRMSA-N 363.634 4.089 0 1 FIAF CC(C)Nc1nc(-c2ccc(C(C)(C)C)cc2)cc2ncn(C)c(=O)c12 115625367 XUJFWKOHQGRMDD-UHFFFAOYSA-N 350.466 4.113 0 1 FIAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)Nc1ccc(C(F)(F)F)cc1 117713348 WCDYPBIYACQZAX-INIZCTEOSA-N 365.355 4.010 0 1 FIAF COc1ccccc1N1C(=O)CS[C@H]1c1ccccc1Br 169342640 NTULOQTYBPKNLG-INIZCTEOSA-N 364.264 4.236 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)C[C@@H]2CC[C@@H]1N2C 169354187 VMRNKEYMTOGQHV-JSXRDJHFSA-N 353.437 4.232 0 1 FIAF COc1ccc2c(c1)CC[C@]1(CCCCN1CCc1ccc(F)cc1)C2=O 207873772 YSEBXRBOHCKTSS-HSZRJFAPSA-N 367.464 4.431 0 1 FIAF O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1 253684408 LDQTVSTXBDCFCN-VRBBWPEWSA-N 374.484 4.329 0 1 FIAF CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 261086611 CSORRUCUIASAPJ-JKIUYZKVSA-N 370.537 4.086 0 1 FIAF CCCCCCO[P@](=O)(O)OCCSC(=S)N1CCCCC1 299822385 ABSGNPCZJYONRB-UHFFFAOYSA-N 369.489 4.204 0 1 FIAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 586906584 DEKUQKGNOSFGEX-VIFPVBQESA-N 350.296 4.042 0 1 FIAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 586922676 RAQRPAVONYZTMY-UHFFFAOYSA-N 355.246 4.330 0 1 FIAF O=C(NCc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc2c(s1)CCC2 587035769 ZUCLDTYJIZNDAM-UHFFFAOYSA-N 365.380 4.062 0 1 FIAF Cc1nc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2cc1Br 587139308 GYXPXNBNEAPXGL-UHFFFAOYSA-N 370.172 4.231 0 1 FIAF Fc1ccc2c(c1)C[C@@H](c1nc3c(Cl)c(Br)cnc3[nH]1)O2 587174211 ODWASSOXXDLTJW-JTQLQIEISA-N 368.593 4.189 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cncc(C)n3)cc1)O2 587393272 DSFIKAXOHGXTQZ-IBGZPJMESA-N 361.401 4.174 0 1 FIAF CCOc1cc(N2CCCC2)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587395172 KXSFZUBXCXGDKN-OAQYLSRUSA-N 366.461 4.283 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3C(=O)O)o1)O2 587414042 VDRGYJXPAOKAPE-LJQANCHMSA-N 363.369 4.242 0 1 FIAF CCOC(=O)c1c(Cl)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420909 JNFXRUZIKRRRFC-YJYMSZOUSA-N 372.804 4.014 0 1 FIAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccc(O)cc1)[C@@H](C2)C3=O 587448540 DRHWNBGVJNVIAI-RDPSFJRHSA-N 372.420 4.286 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1C(=O)OCC)CC2=O 587483483 QQLUHSIXQUHPKX-JOCHJYFZSA-N 368.429 4.402 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](CC1CCC3(CC1)OCCO3)CC2=O 587485717 JSXOGOPHNJUYAE-HNNXBMFYSA-N 360.450 4.002 0 1 FIAF O=C1CC2(CC(C(=O)O)(c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587529148 JRFPEQNZCPYKNU-UHFFFAOYSA-N 362.425 4.086 0 1 FIAF C[C@]1(c2cc(O)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555880 HNXRHJBAEPMOIW-GHTZIAJQSA-N 366.344 4.114 0 1 FIAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C)c1C 587753732 WPCGJOZDOZSPKI-LZVRBXCZSA-N 365.290 4.476 0 1 FIAF CCCCn1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587762439 DRPATHQQUPAZAE-PIGZYNQJSA-N 366.278 4.208 0 1 FIAF CC(C)N1CCC([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587769324 OSSVJUHSEDKNGM-XIKOKIGWSA-N 369.322 4.284 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn3ccccc3n2)N1 587773803 JRZZGGDBRXXFPW-ZMZPIMSZSA-N 374.257 4.034 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3c[nH]cc32)N1 587792632 PSADSQYTBMVFAP-BBATYDOGSA-N 363.274 4.421 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)s2)N1 587848937 QAWMEFWHXXWSGV-VXJOIVPMSA-N 354.244 4.086 0 1 FIAF CCOc1ccc(NCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873477 FZRHKQWDRYCSBA-UHFFFAOYSA-N 353.353 3.946 0 1 FIAF O=C(O)c1cc2ccccc2c(-n2nc3cc2Oc2ccc(F)cc2-3)c1O 587875554 QSLMNSYXRHQFPL-UHFFFAOYSA-N 362.316 4.341 0 1 FIAF C[C@@H](NC(=O)OCC(F)(F)C(F)F)c1nc2ccc(F)cc2s1 653716365 RYNWZJBUTQJPDY-ZCFIWIBFSA-N 354.300 4.123 0 1 FIAF Brc1ccc2c(c1)[C@@H](c1ccc3snnc3c1)NC1(CC1)C2 961610294 BHSUBIJLBUWXKK-MRXNPFEDSA-N 372.291 4.222 0 1 FIAF CCOC(=O)CC[C@]1(c2sccc2C)NCCc2cc(C)c(F)cc21 962375416 NCWDRAHESWJHEJ-FQEVSTJZSA-N 361.482 4.237 0 1 FIAF CONC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 1857585531 BCHSDQGAJBWCDI-UHFFFAOYSA-N 362.429 4.343 0 1 FIAF Cn1ccc2cc(-c3cnc4cnc(-c5ccc6c(c5)OCO6)cn34)ccc21 1857596088 XZVXLXHBIJNJFS-UHFFFAOYSA-N 368.396 4.284 0 1 FIAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cnoc3)c12 1857646372 HAQJYZRSOIVXSH-UHFFFAOYSA-N 361.361 4.047 0 1 FIAF Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccccc3)cc2c1 895575 IKLQTMPCTBDIGQ-UHFFFAOYSA-N 372.424 4.272 0 1 FIAF CCN(c1ccc2nc(O)c(Cc3ccccc3)nc2n1)C1CCCCC1 2500196 DUJRFIXSLMAZSG-UHFFFAOYSA-N 362.477 4.480 0 1 FIAF NCc1c(N)nc(-c2cccc(F)c2)nc1-c1ccc(Cl)cc1Cl 3817009 FRMYNKOJRNMSQP-UHFFFAOYSA-N 363.223 4.297 0 1 FIAF CN(C)C[C@@H]1C[C@@H]2c3cccc(C(F)(F)F)c3Cc3ccccc3N2O1 13437165 MMEQHMVQEKIHIG-IFXJQAMLSA-N 362.395 4.423 0 1 FIAF CC(C)c1ccc(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)cc1 28820480 DRUKCDBJSKTKTR-HNNXBMFYSA-N 356.491 4.201 0 1 FIAF O=C(O)c1ccc(Nc2nc3sc4c(c3c(=O)s2)CCCC4)cc1 40845101 UTKSWFFHMRVZFU-UHFFFAOYSA-N 358.444 4.039 0 1 FIAF Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 40893093 RWZHKEZRFILBTQ-AVRDEDQJSA-N 350.506 4.256 0 1 FIAF CN1C[C@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@H]2CCCC[C@@H]21 40956623 LRFSPZSJAZEPES-PCCBWWKXSA-N 357.881 4.425 0 1 FIAF NC(=S)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Cl)c1Cl 40980876 YCXPXWJLBVMMMC-CQSZACIVSA-N 350.274 4.388 0 1 FIAF O=C(Nc1ccccc1-n1cccn1)c1ccccc1C(=O)c1ccccc1 45371121 GUHXMVSQPQKGMQ-UHFFFAOYSA-N 367.408 4.356 0 1 FIAF CN(CCc1ccco1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 66139051 CIKZHWWSRJUDNI-UHFFFAOYSA-N 373.412 4.297 0 1 FIAF CC(C)(C)C1=NN(C(=O)c2ccccc2)[C@H](c2ccc3c(c2)OCO3)C1 95552893 MSCYMAVMIFLSDC-INIZCTEOSA-N 350.418 4.405 0 1 FIAF Oc1cccc2[n+]1[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2ccccc21 100721984 LDIRTRYGOHSAHW-IFMALSPDSA-O 356.401 4.290 0 1 FIAF O=C1[C@H]2[C@@H]3S[C@H](c4c3ccc3ccccc43)[C@@H]2C(=O)N1c1ccccc1 138354593 ZFPGOEXUFNQOHD-UAFMIMERSA-N 357.434 4.488 0 1 FIAF Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(NCCN)c2c1 205306215 DOMIZPJZHXXHGH-UHFFFAOYSA-N 364.468 4.006 0 1 FIAF CN1CCC(c2ccc(-c3cc4c(C(=O)O)n[nH]c4cc3Cl)cc2)CC1 216022630 CHBVLOQAVSNRMU-UHFFFAOYSA-N 369.852 4.391 0 1 FIAF CCN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc(C)c2)n1 299882605 QAWOWHRYRUPPCJ-IAGOWNOFSA-N 366.509 4.026 0 1 FIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1OC 586896933 UUFYZDCGBJCMSC-UHFFFAOYSA-N 374.396 4.398 0 1 FIAF O=[S@](Cc1nc2cccc(O)c2[nH]1)C(c1ccccc1)c1ccccc1 586958649 HBICZKKVNNVNSB-AREMUKBSSA-N 362.454 4.307 0 1 FIAF Cc1cc(Br)ccc1OCc1nc2ccc(Cl)nc2[nH]1 586980578 BBMBMMQFLVRRPL-UHFFFAOYSA-N 352.619 4.261 0 1 FIAF COc1ccc(-c2nc3cc(OC)cc(OC)c3[nH]2)c(C(F)(F)F)c1 587096800 BOESZOKXSFXAEK-UHFFFAOYSA-N 352.312 4.275 0 1 FIAF CC[C@@H](Oc1ccccc1F)c1nc2cc(Br)ncc2[nH]1 587156532 USSPRWNBKYZFML-GFCCVEGCSA-N 350.191 4.390 0 1 FIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587161868 SAXRPNFXXGTLAS-IUCAKERBSA-N 356.710 4.387 0 1 FIAF Fc1ccc(-c2ccsc2-c2nc3c(S)nc(S)nc3[nH]2)cc1 587165282 OMYAQZGXPVXAGY-UHFFFAOYSA-N 360.464 4.465 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(OC(C)C)c1)(C(F)F)O2 587383568 SROCZCHMIUFRFO-FQEVSTJZSA-N 361.388 4.490 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c(C(=O)O)c1)(C1CCCCC1)O2 587396376 JXNZVRPRLFNSQI-OAQYLSRUSA-N 368.433 4.045 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O 587420882 HZXONUPNUOXZEU-HNAYVOBHSA-N 360.331 4.303 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc4ccc(Cl)cc4n1)[C@@H](C2)C3=O 587424450 ZOTPOZNIIMYQNH-VBKZILBWSA-N 351.789 4.386 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCCN4C(C)C)[C@@H](C2)C3=O 587444417 OPHULEDCVBSBJZ-FDDCHVKYSA-N 363.457 4.345 0 1 FIAF COc1cc2c3c(c1)O[C@H]([C@H]1CC=C(CCCC(C)(C)O)CC1)[C@@H](C2)C3=O 587451097 OOLIQIFDFALZGM-LZFQIVBZSA-N 370.489 4.479 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccncc1Br)CC2=O 587458199 HNFWXEKOHYPWDJ-INIZCTEOSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(OC)c1)CC2=O 587476098 DDNXMMFZBBOSON-NRFANRHFSA-N 356.418 4.243 0 1 FIAF C[C@H](Oc1ccccc1O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526706 ZGGXGTDSVWDBBJ-FPTDNZKUSA-N 352.430 4.462 0 1 FIAF Cc1cccc2c1NCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591971 FRZNCNVWHWUSLV-CVDCTZTESA-N 373.408 4.373 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N)c(Cl)c2)N1 587696520 PLOWPAQLIQFBFZ-BCTVWOGZSA-N 369.665 4.447 0 1 FIAF Cc1cc(N)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587747901 SRTFOLHIZCQXCB-ADLMAVQZSA-N 363.274 4.277 0 1 FIAF Cc1ccc2[nH]nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587798684 VFEXHBCPNVJLKG-DYZYQPBXSA-N 374.257 4.397 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3C[C@H]2CCC3=O)N1 587825475 DSXLKRICURVCMU-ZSMOCIRGSA-N 366.274 4.097 0 1 FIAF Cc1nc(-c2ccncc2)nc(-n2nc3cc2Oc2ccc(F)cc2-3)c1C 587874973 KQWVBXUNIYYHBS-UHFFFAOYSA-N 359.364 4.253 0 1 FIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587938208 ULCJHKWSNKJHEB-CLAHSXSESA-N 352.221 4.110 0 1 FIAF CCCOc1cc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2cc1Br 587961060 DFFRTLVURVBSFE-WDEREUQCSA-N 365.271 4.272 0 1 FIAF CC[C@H](C(=O)Nc1cc(-c2ccc(OC)c(OC)c2)no1)c1ccccc1 621431087 MPIONZHOGBWKSV-INIZCTEOSA-N 366.417 4.491 0 1 FIAF Cc1cc([C@@]2(c3cccc(F)c3)NCCc3ccc(O)cc32)ccc1F 963340784 IEGMODDHWXPZQX-JOCHJYFZSA-N 351.396 4.416 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(O)cc1C(F)(F)F 963610212 OMRJAYYXUZWMBM-MLCYQJTMSA-N 367.367 4.052 0 1 FIAF COc1ccc(NS(=O)(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 1857555202 IYOQGRUOGBMILH-MDZDMXLPSA-N 357.353 4.127 0 1 FIAF CC[C@@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN([C@H]2CC(C)=O)[C@@H]13 2356447415 RJITZLAAWJSIDF-IWPQITNESA-N 366.505 4.284 0 1 FIAF CC[C@H](C)C[C@H](C)C1=Cc2cc3c(c(O)c2CO1)C(=O)C(=O)C(OC)=C3 5924841 BRHYSVIYRNFZEB-RYUDHWBXSA-N 356.418 4.088 0 1 FIAF biogenic CC1(C)CC2(CC(C)(C)c3cc(C=O)c(O)cc32)c2cc(O)c(C=O)cc21 5963566 ZLRCKGCSBDTDGQ-UHFFFAOYSA-N 364.441 4.372 0 1 FIAF C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)[C@@H]1C 6930013 ZKZLQVNOLBJHFM-LBTNJELSSA-N 360.523 4.150 0 1 FIAF O=C(c1cccs1)N1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1 13140209 WYSKVKOLVZYRPG-HQRMLTQVSA-N 359.466 4.396 0 1 FIAF COc1ccc(-c2nc(C)oc2-c2cc(OC)c(OC)c(OC)c2)cc1O 29416045 FROJUOATHRAAOX-UHFFFAOYSA-N 371.389 4.057 0 1 FIAF O=C1CS[C@@H](c2ccco2)N1CCNc1ccnc2cc(Cl)ccc12 72107206 SYOQGCQAWWPAAC-SFHVURJKSA-N 373.865 4.167 0 1 FIAF CCNCc1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1 95594034 PMOYHZUHMRBKJN-UHFFFAOYSA-N 351.841 4.016 0 1 FIAF COc1ccc(-c2nc3cc(-c4ccc(C(=O)O)s4)cnc3[nH]2)cc1 103248096 LTKDDAVQVRFMKQ-UHFFFAOYSA-N 351.387 4.060 0 1 FIAF CC(=O)c1ccc(-c2ccc(C[C@@]3(C)SC(=O)[C@H](C)C3=O)cc2)cc1 169720237 VQRZDORXXZWESD-LRTDBIEQSA-N 352.455 4.336 0 1 FIAF O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)c1[nH]c3ccccc3c1[C@H]1CCC[C@H]12 195502335 MJDPELULEMYNCS-IDENBPMYSA-N 356.425 4.338 0 1 FIAF CC(C)CN(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 205428575 YJEHFXNHOSETNO-UHFFFAOYSA-N 353.397 4.226 0 1 FIAF COc1cc(-c2nc(-c3cccc(Cl)c3)cnc2O)cc(OC)c1OC 299839844 TVHBNAVDYMOCTJ-UHFFFAOYSA-N 372.808 4.195 0 1 FIAF Nc1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cnc1O 299871017 XNIKDSKXMKIMIV-UHFFFAOYSA-N 364.336 4.018 0 1 FIAF O=C(O)/C=C\c1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 586881642 XYRNSNRAKOJJMI-WAYWQWQTSA-N 361.170 4.229 0 1 FIAF FC(F)(F)c1nn(Cc2nc3cccc(Cl)c3[nH]2)c2c1CCCC2 587119794 FSSWFVANOLADIM-UHFFFAOYSA-N 354.763 4.359 0 1 FIAF COc1cc(Cl)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1OC 587375993 BFNXMQUUVRVOIC-IBGZPJMESA-N 361.825 4.128 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc(-c3ccccc3)cc1)O2 587408574 PQBSRBNNWHBBOV-QHCPKHFHSA-N 373.408 4.190 0 1 FIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587417341 CEGKMRPHWXXZHS-HTCWWEMQSA-N 369.848 4.067 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)s1)[C@@H](C2)C3=O 587453738 YUXWFCFRYGAQDQ-MGPLVRAMSA-N 365.248 4.182 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)CC[C@@H]1C(=O)OC 587480025 MYCXALGFARWEAU-VFNWGFHPSA-N 360.450 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)c(OC)cc(C)c1O)CC2=O 587481800 SGMNTWPODSUSNW-SFHVURJKSA-N 356.418 4.382 0 1 FIAF COC(=O)c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527519 WCNBTVODTLUKBJ-JOCHJYFZSA-N 350.414 4.233 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)c(F)c1 587566942 CHDXMOBXNJNPKL-QAPCUYQASA-N 371.751 4.283 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(C(C)(C)C)N1 587742153 QGKBDIHCBUSTDD-AWKYCCQQSA-N 369.322 4.439 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCCCCC2)N1 587766542 NWJAERLXORRQJA-UGSOOPFHSA-N 369.322 4.214 0 1 FIAF CC[C@@]1(c2ncccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587773952 SRNYFOZUTCPPBC-KPZWWZAWSA-N 363.274 4.479 0 1 FIAF O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)OCc1ccccc1 587782895 ZUJQOHFYVCYGSI-UHFFFAOYSA-N 370.408 4.080 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CC3(CCC3)C2)N1 587819694 WRNFJZLXNQPWRE-ADLMAVQZSA-N 366.274 4.241 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)s2)N1 587850428 YWLSKMLGKGOKKE-JDNHERCYSA-N 369.303 4.339 0 1 FIAF Cc1ccc(-c2cc(O)n(-c3cccc(C4=NC(C)(C)CO4)c3)c2O)cc1 587934913 KGVCTANWHSDVGE-UHFFFAOYSA-N 362.429 4.419 0 1 FIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587935851 JOJWSQXCOOTFFV-ISVAXAHUSA-N 352.221 4.110 0 1 FIAF CN1CCN(C2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 618009762 HYFMNUUNCPTZBO-UHFFFAOYSA-N 374.532 4.051 0 1 FIAF Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N3CCCCC3)c2)n1 653762874 YRHUKOHIJREPRH-UHFFFAOYSA-N 374.444 4.378 0 1 FIAF Cc1c(F)ccc2c1[C@@](CCCC(=O)O)(c1cccc(F)c1F)NCC2 962376840 RDYYCUNPOJFZHW-HXUWFJFHSA-N 363.379 4.057 0 1 FIAF COc1ccc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc3c2=O)cc1 1772632022 VVPZXUDREWVGAR-UHFFFAOYSA-N 355.393 4.435 0 1 FIAF C[C@@H]1CNC(c2ccc(-c3noc(-c4ccc(Cl)c(Cl)c4)n3)cc2)=N1 1857546535 LOFSVIDILZYOHD-SNVBAGLBSA-N 373.243 4.449 0 1 FIAF COc1cc([C@H](C)c2ccc(OC(F)(F)F)c(N)c2)cc(OC)c1OC 1857748168 PJWHOWRJCYPTKP-SNVBAGLBSA-N 371.355 4.345 0 1 FIAF CC(=CCOc1c2occc2cc2ccc(=O)oc12)C[C@@H]1C=C(C)C(=O)O1 2356452632 XVVBVBKVMMNZHB-MRXNPFEDSA-N 366.369 4.126 0 1 FIAF COCc1cccc(-c2csc([C@H](O)c3ccc(F)c(OC)c3)n2)c1 61906197 MZVFRAPPYDNNQV-GOSISDBHSA-N 359.422 4.186 0 3 FIAF COCc1cccc(-c2csc([C@@H](NC(C)=O)c3ccccc3)n2)c1 61908542 SGHOKMHPTDWBCM-IBGZPJMESA-N 352.459 4.182 0 3 FIAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCn1cc(-c2ccccc2)nn1 5541547 IAPQUATXEHBRED-HHXXYDBFSA-N 356.470 4.090 0 1 FIAF Cc1cc(C)c(NC(=O)c2sc(NC(=O)c3ccco3)nc2C)c(C)c1 13587428 KMFDWSKWECMQEX-UHFFFAOYSA-N 369.446 4.474 0 1 FIAF COc1cc2c(cc1OC)-c1oc3c(ccc4occc43)c(=O)c1OC2 14635256 FDQLVTSWVRTUEU-UHFFFAOYSA-N 350.326 4.116 0 1 FIAF biogenic,in-vitro CN(C)c1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 28337656 PKVAPOUQMPZTAK-UHFFFAOYSA-N 363.371 4.098 0 1 FIAF CCCNc1ccnc2sc3c(=O)n(-c4ccc(OC)cc4)ccc3c12 35278359 PUVOFAJSZNCMQY-UHFFFAOYSA-N 365.458 4.431 0 1 FIAF CC(=O)N[C@H](CC(=O)c1ccc(Br)cc1)c1ccc(C)cc1 40845707 HCWIYZROISICBW-QGZVFWFLSA-N 360.251 4.208 0 1 FIAF CCc1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccco2)s1 82165678 OTJWPBKBTDYVSQ-LBPRGKRZSA-N 356.451 4.013 0 1 FIAF CCCCCC(=O)c1cc2c3c([nH]c2cc1OC)[C@@H](C)N(C(C)=O)CC3 85950865 DHHZYPMWKCANEU-CYBMUJFWSA-N 356.466 4.405 0 1 FIAF biogenic C=C/C(C)=C\C[C@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]21C 85993554 IEAUFJOLHRNYMW-CGBRTZJHSA-N 364.526 4.015 0 1 FIAF in-man O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1-c1cccc(Cl)c1 101637385 LAMLYPBPRQOOOH-GBEXYDAJSA-N 354.881 4.267 0 1 FIAF Cc1ccc(O)c(C2=CC3=NNC(=O)[C@H]3[C@H](c3cccc(Cl)c3)C2)c1 102956225 MVTXBXOUQKHDCY-LPHOPBHVSA-N 352.821 4.027 0 1 FIAF CCCCO[C@@H](C(=O)NC)c1cccc(COc2cc(C)ccc2C)c1 103199866 ADQGUKGTGMVQNB-OAQYLSRUSA-N 355.478 4.486 0 1 FIAF O=C(C1CC1)N1CCC(N(c2ccc(Cl)cc2)c2cccnc2)CC1 103303259 UEFAKJDYSQUQOO-UHFFFAOYSA-N 355.869 4.274 0 1 FIAF CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3c(C)cccc23)CC1 204950204 RPRYTMAQVWICAO-UHFFFAOYSA-N 367.537 4.308 0 1 FIAF COC(=O)c1cc2nc([C@](C)(O)C(C)C)[nH]c2c(F)c1Nc1ccccc1 586887419 IAIOYXQKOPZNPJ-HXUWFJFHSA-N 371.412 4.096 0 1 FIAF Cc1oc2c(c1-c1nc3ccc(Br)c(O)c3[nH]1)C(=O)CCC2 586904743 ZBHQGZGDFQHLIV-UHFFFAOYSA-N 361.195 4.118 0 1 FIAF C[C@@H](SCc1ccccc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 586963127 KRVNSZWMPHWVCM-OAHLLOKOSA-N 355.507 4.498 0 1 FIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(C)cnc(Cl)c2[nH]1 586972230 FLACYRUHAPKVRP-CQSZACIVSA-N 374.897 4.030 0 1 FIAF O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](C2CC2)C1)-c1ccccc1C4=O 586990672 NJWNKSVJYUVGKT-HNNXBMFYSA-N 355.393 4.161 0 1 FIAF Clc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cn1 587012904 NHGRLMSISPAJLB-UHFFFAOYSA-N 355.648 4.375 0 1 FIAF Cc1nc(COc2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)cs1 587020270 KXTUQIBYEHYCOK-UHFFFAOYSA-N 361.430 4.450 0 1 FIAF Cc1cc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c(C)n1 587028891 BGCPFXRDYQFOLQ-UHFFFAOYSA-N 360.446 4.096 0 1 FIAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc3c(c2[nH]1)CCCC3 587067116 OEBRHJCXLJHYBD-UHFFFAOYSA-N 370.836 4.495 0 1 FIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587069422 KNMHVDUOXZKDLH-BMLIUANNSA-N 356.813 4.317 0 1 FIAF N[C@@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C[C@H]1c1ccccc1F 587157049 REFWZRYVJSRQSF-SBUREZEXSA-N 371.415 4.275 0 1 FIAF O=C(CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)Nc1cccc(F)c1 587164055 YELUYYWEJACVQQ-UHFFFAOYSA-N 367.302 4.172 0 1 FIAF O=C(/C=C/c1nc2cc(Cl)nc(Cl)c2[nH]1)Nc1ccc(F)cc1 587166481 DDEIBZROHLQLTA-AATRIKPKSA-N 351.168 4.056 0 1 FIAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(C)(C)C)cc2[nH]1 587193444 AMNUNDHUKZVIFM-INIZCTEOSA-N 374.529 4.378 0 1 FIAF COC(=O)c1ccc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2n1 587240580 KVAFTSKMWQOKBH-UHFFFAOYSA-N 374.400 4.164 0 1 FIAF C[C@]1(c2cc(F)c(N)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508987 UYQUVRHYKNSYHW-HXUWFJFHSA-N 361.363 4.446 0 1 FIAF COC(=O)CC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526868 USBSBZLORBIMSJ-HSZRJFAPSA-N 364.441 4.379 0 1 FIAF C[C@]1(c2ccc(CC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528608 CRIMRUJHLJDQGF-JOCHJYFZSA-N 350.414 4.073 0 1 FIAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587529271 MQGNPKKFHWTDNJ-ZLUZWTFRSA-N 354.446 4.180 0 1 FIAF COc1cc(C)ccc1OCc1nc2cccc(OC(F)(F)F)c2[nH]1 587564203 OKYVRJIRLMJZSD-UHFFFAOYSA-N 352.312 4.358 0 1 FIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1N 587740399 ATIDTIFIPZOCGF-VOJFVSQTSA-N 363.274 4.277 0 1 FIAF CCOc1ccc(OCC)c(-c2nc3cc(Br)ncc3[nH]2)c1 587778161 KISSBWRHLAKQNI-UHFFFAOYSA-N 362.227 4.185 0 1 FIAF CCOc1ccc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1 587870882 UPJNKJOUVGEENU-UHFFFAOYSA-N 354.381 4.175 0 1 FIAF COc1ccc(CCCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1OC 587924742 DKVPENNYZPKZTH-UHFFFAOYSA-N 350.340 4.173 0 1 FIAF Brc1cnc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 587951342 SSCNNEIKOVJCCA-UHFFFAOYSA-N 362.271 4.206 0 1 FIAF CCCCNS(=O)(=O)c1ccc2nc(CC3CCCCCC3)[nH]c2c1 587960130 GEUJESLJTXDDRS-UHFFFAOYSA-N 363.527 4.154 0 1 FIAF CC[C@]1(Cc2nc3cccc(C(=O)OC)c3[nH]2)CC(=O)c2ccccc2C1 587962644 YOQVCNAYOXJGJO-JOCHJYFZSA-N 362.429 4.118 0 1 FIAF Cc1ccc(OC2CCN(c3cc(C)nc4ccc(F)cc34)CC2)cn1 653821011 IGYCWWBAVUUIHA-UHFFFAOYSA-N 351.425 4.434 0 1 FIAF CCc1ccc([C@]2(c3ccccc3Cl)c3nn(C)cc3CCN2C)cc1 963954428 JYNAGTJFBCPHDO-QFIPXVFZSA-N 365.908 4.416 0 1 FIAF CC(=O)c1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1O 1857566638 CUVPRMAVZMUBSN-UHFFFAOYSA-N 353.462 4.243 0 1 FIAF C/C(=C\CC[P@](=O)(COC(=O)C(C)(C)C)Oc1ccccc1)CO 1857746170 ICRHSCYTRCKLAF-AVRDVDJQSA-N 354.383 4.219 0 1 FIAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC[C@@H](O)C(C)(C)Cl 2356382056 LJKOFXGMGDOURN-QGZVFWFLSA-N 350.842 4.277 0 1 FIAF CC[C@H]1C(=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 2356752561 YIGHZHOPCWHUCU-DVLHQWTFSA-N 359.554 4.055 0 1 FIAF Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2cccnc2C)C1 12373762 RSGIUYMZTYHHMX-HNNXBMFYSA-N 356.853 4.087 0 3 FIAF Cc1ccc(S(=O)(=O)C2=Cc3ccccc3[C@@]2(O)c2ccccc2)cc1 1856514 FJUDGVXCCNQOGE-QFIPXVFZSA-N 362.450 4.059 0 1 FIAF CO[C@@H]1c2c(c3c(c4c(C)cc(=O)oc24)OC(C)(C)C=C3)O[C@@H](C)[C@@H]1C 3640044 NEHHJJDJNPBYJK-PRXAMGSTSA-N 356.418 4.390 0 1 FIAF biogenic COc1ccc(CCCOc2cc(CCn3ccnc3)ccc2OC)cc1 4475351 FCBRFERWWOBAJC-UHFFFAOYSA-N 366.461 4.155 0 1 FIAF CN1CCN(CCNc2ccccc2Sc2ccc(Cl)cc2)CC1 22938732 XTOXUZLYHWQLDH-UHFFFAOYSA-N 361.942 4.151 0 1 FIAF Cn1c2ccc(Br)cc2c2nnc(N)c(-c3ccccc3)c21 27091982 OHLLYSIITXBMTR-UHFFFAOYSA-N 353.223 4.133 0 1 FIAF c1ccc(NCCNCc2ccc(CNCCNc3ccccc3)cc2)cc1 28863074 HJOSNJZPJGEHBV-UHFFFAOYSA-N 374.532 4.090 0 1 FIAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)C(C)(C)S2 29342565 RBSYHBRUVVOWDG-UHFFFAOYSA-N 356.451 4.237 0 1 FIAF C[C@]12CC[C@@H]3c4c(Br)cc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 34175222 RFIKGEXHGJJIHW-NZEYMJGSSA-N 351.284 4.372 0 1 FIAF biogenic CCOC(=O)c1c(CNCc2ccccc2F)c2sc(C)cc2n1C 36380984 ZHAJCYCEXLLTAI-UHFFFAOYSA-N 360.454 4.154 0 1 FIAF CC(C)c1ccc(C(=O)C[C@@H](C(=O)Nc2ccccc2)n2ccnc2)cc1 45388691 HMAAPDMBZUECQL-FQEVSTJZSA-N 361.445 4.459 0 1 FIAF Cn1cc(NC(=O)CCCCCCCCCCCN)c(-c2ccccn2)n1 49052991 JMEQPFASHHJIDA-UHFFFAOYSA-N 371.529 4.280 0 1 FIAF CC(C)N(C(=O)c1ccc(Cl)cc1)c1cccc(N2CCN(C)CC2)c1 58582627 LZYXVOFZAPATAZ-UHFFFAOYSA-N 371.912 4.147 0 1 FIAF CN1CCN(c2ccc(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CC1 64559295 USPSSAUXBPWGIY-VQTJNVASSA-N 354.881 4.078 0 1 FIAF CCCN(CCC)C(=O)c1ccc(-n2sc3ccccc3c2=O)cc1 64704940 FINFAGKSZAXUMP-UHFFFAOYSA-N 354.475 4.314 0 1 FIAF Cc1noc(C)c1CN(C(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 100512510 VVZGPQIKDROWTH-MDZRGWNJSA-N 355.507 4.361 0 1 FIAF CCNC(=O)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243514 CRPZYXVJHAFJRS-UHFFFAOYSA-N 372.808 4.167 0 1 FIAF O=C1[C@H]2c3[nH]c4ccccc4c3[C@H]3CCC[C@@H]3[C@H]2C(=O)N1c1ccccc1 105481274 MJDPELULEMYNCS-IQGAEYHTSA-N 356.425 4.338 0 1 FIAF COc1cc(F)ccc1Nc1nccc(Oc2cccc3c2C(=O)CC3)n1 145991758 QHKNPUAPLZOQHS-UHFFFAOYSA-N 365.364 4.289 0 1 FIAF O=C(CC1CCCC1)Nc1ccc(NC(=O)N2Cc3ccncc3C2)cc1 167010552 NYXLQKNJBFSBDN-UHFFFAOYSA-N 364.449 4.148 0 1 FIAF Cc1ncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)n1 586988875 YUSQJWSWCLGCMJ-UHFFFAOYSA-N 353.381 4.226 0 1 FIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)c(F)ccc3[nH]2)s1 587022931 FQIXXBVIHXECFM-UHFFFAOYSA-N 352.366 4.312 0 1 FIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(Cl)ccc2[nH]1 587038251 FQUGNJYEHGWMHG-UHFFFAOYSA-N 351.819 4.082 0 1 FIAF CCOc1cc(/C=C/c2nc3ccc(C(=N)N)cc3[nH]2)ccc1OC(F)F 587131238 XWNMJRYJNVNFHK-XBXARRHUSA-N 372.375 4.017 0 1 FIAF Fc1cccc([C@H]2C[C@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1 587161875 SFQBSWJNWFDUKG-NXEZZACHSA-N 350.166 4.270 0 1 FIAF O=C(N[C@H](c1ccccc1)c1nc2cc(Cl)ncc2[nH]1)c1ccccc1 587220465 SFUCWKYQJWSEPI-GOSISDBHSA-N 362.820 4.131 0 1 FIAF C[C@@]1(c2ccc(F)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339683 SKBRXIKABJVHBB-FPOVZHCZSA-N 367.351 4.340 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1CCCCN1C(=O)OC(C)(C)C)O2 587393400 HYTUOBPBBRSRNX-UWJYYQICSA-N 374.481 4.091 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CCc2cc(O)ccc21 587402722 BROMHALZQUGHEW-XMMPIXPASA-N 371.436 4.290 0 1 FIAF CCOc1ccc([C@@]2(c3ccco3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407796 FCAANCVCWUTCTE-JOCHJYFZSA-N 363.413 4.478 0 1 FIAF O=C1C[C@@H](c2cccn2C[C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 587512935 PWYUCIHXKLVOMG-KKSFZXQISA-N 351.446 4.252 0 1 FIAF CC(=O)NCc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531562 LVLGNFVYQYTBMT-OAQYLSRUSA-N 369.486 4.144 0 1 FIAF C[C@@]1(c2cc[nH]c3nccc2-3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589092 NMBXCTXLLLJDOE-GCJKJVERSA-N 372.380 4.097 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1Cc2ccccc2C1 587603255 LHYYOVOWMYOSLX-NFBKMPQASA-N 358.393 4.137 0 1 FIAF CC[C@@]1(Cc2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617006 NXABKTIMBJSPBQ-NQIIRXRSSA-N 350.370 4.338 0 1 FIAF Cc1[nH]c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587794209 UCNZMWHYRNYOEY-QPFGOUBPSA-N 351.263 4.465 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c[nH]nc3c2)N1 587798629 UMARXVMNRCYOHQ-XYZCENFISA-N 360.230 4.088 0 1 FIAF CO[C@]1(C)C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587809628 IWYFXAYDDMJMSI-LWNYNHHKSA-N 356.279 4.153 0 1 FIAF Cc1cc(Br)cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12 587968447 DIBCXKQPQYFZMF-DIPXRFRJSA-N 359.267 4.281 0 1 FIAF CCc1c(O)nc(=O)n(COCc2ccc(C)cc2)c1CC1CCCCC1 1772619114 FIQAFZCBZKGIIV-UHFFFAOYSA-N 370.493 4.117 0 1 FIAF COc1ccc(OC)c(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c1 1772645776 KPRLRQWOVMOOBT-KRWDZBQOSA-N 369.442 4.434 0 1 FIAF OC12C[C@@H]3CC(C[C@H](C3)C1)N2CCCNc1ccnc2cc(Cl)ccc12 1857642018 VWNLXVQDXPSNTD-MZJZNKMSSA-N 371.912 4.273 0 1 FIAF C[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccco3)=NN2C1=O 1857643805 QUKRSZPVALXQPI-AMIZOPFISA-N 351.189 4.045 0 1 FIAF COC(C)(C)C=Cc1c2c(c(O)c3c(=O)cc(C)oc13)C=CC(C)(C)O2 2356566189 BWJYXYYUQNUPAF-UHFFFAOYSA-N 356.418 4.429 0 1 FIAF Cc1cnc(NC(=O)N2CC[C@H](N(C)c3ccc(Cl)c(C)c3)C2)s1 2382244237 GMPUXSMAVAFMMB-AWEZNQCLSA-N 364.902 4.156 0 1 FIAF CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1Cl 4902821 UXQYGQOWXBPPRQ-KPZWWZAWSA-N 374.843 4.091 0 1 FIAF COc1ccc2c(c1)c1c(n2C)CCN(CCCOc2ccc(F)cc2)C1 13476840 ZIYXMKSJNWAUDA-UHFFFAOYSA-N 368.452 4.153 0 1 FIAF CC(C)Oc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 13493263 BQZVTABXTKMTBQ-UHFFFAOYSA-N 361.445 4.217 0 1 FIAF CCC[C@H]1CNC(=O)C12CCN(C1(c3ccccc3)CCCCC1)CC2 13982660 XNZWDRHJBZFXLY-FQEVSTJZSA-N 354.538 4.474 0 1 FIAF O=C(O)CCc1ccc(OCCn2c3ccccc3c3ccncc32)cc1 28121268 KQQIDBSNDWYIKL-UHFFFAOYSA-N 360.413 4.286 0 1 FIAF Nc1c(Cc2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O 29391677 HNRUIKUCFJTBQM-UHFFFAOYSA-N 368.742 4.079 0 1 FIAF COc1ccc(Cn2cnc3c(Cc4ccccc4)nc(Cl)nc32)cc1 45350567 HHIZKVKVUWESKI-UHFFFAOYSA-N 364.836 4.127 0 1 FIAF CC[C@@H](CC(=O)NCCC(C)(C)C)n1c(N)nc2cc(Cl)ccc21 58581656 ZOKNKPRORGNRMQ-ZDUSSCGKSA-N 350.894 4.166 0 1 FIAF C[C@H](/C=C/[C@H]1CO[C@H](O)[C@@H]1CC/C=C\CCC(=O)O)COc1ccccc1 78937891 DWCRCSXUMNBRSV-YCVYKGHQSA-N 374.477 4.040 0 1 FIAF in-vitro CC(=O)O[C@@H]1[C@H](OC(=O)C=C(C)C)C[C@@H]2Cc3occ(C)c3C[C@@]2(C)[C@H]1C 85767231 BFTOORVCRFGUHC-FELGOYSUSA-N 374.477 4.159 0 1 FIAF biogenic Fc1ccccc1-c1ccc([C@H]2[C@H]3CN(Cc4ccccc4)C[C@@H]2N3)cc1 100107656 YOBJBXSZBMQTLF-UBRQYEGLSA-N 358.460 4.433 0 1 FIAF Oc1cccc2[n+]1[C@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2ccccc21 100721981 LDIRTRYGOHSAHW-RBBKRZOGSA-O 356.401 4.290 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@H](O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C 100781051 COFSRJDBTTZNBZ-ROLPBNCSSA-N 364.526 4.015 0 1 FIAF endogenous,in-man COc1ccc(Nn2c(SCC(=O)c3ccccc3)nc(C)c2C)cc1 103243301 NAINREVGOHEKRT-UHFFFAOYSA-N 367.474 4.359 0 1 FIAF CCOc1cc([C@@H]2c3c(n[nH]c3C)N=C3CC(C)(C)CC(=O)[C@H]32)ccc1O 169690703 OSLSYBUAWWVOKT-MOPGFXCFSA-N 367.449 4.046 0 1 FIAF O=C1c2ccccc2N2O[C@]3(N4CCCC4)CCC[C@H]3[C@]12c1ccccc1 254135583 QXRMPRQQGNQQQF-YMPZKCBVSA-N 360.457 4.122 0 1 FIAF O=C(O)Cc1c(-c2ccco2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992353 VUOGHHOFLVQCHC-UHFFFAOYSA-N 371.348 4.039 0 1 FIAF O=C1COc2cc3[nH]c([C@H]4C[C@H]4c4c(Cl)cccc4Cl)nc3cc2N1 587052150 WZRXSPXKTGHKJO-BDAKNGLRSA-N 374.227 4.472 0 1 FIAF O=C(Nc1ccccc1Cl)c1nc2c(F)c(Br)ccc2[nH]1 587060945 XCKFESPPXDREFQ-UHFFFAOYSA-N 368.593 4.370 0 1 FIAF COC(=O)c1ccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2n1 587111829 BIWKZMXKULFBKF-JTQLQIEISA-N 363.339 4.110 0 1 FIAF Cc1cc(F)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 587124125 LVAKFIBGCXORMD-PRHODGIISA-N 353.323 4.181 0 1 FIAF COc1ccccc1Nc1ccccc1-c1nc2ccc(C(=N)N)cc2[nH]1 587240985 UCIAUAWPNXBMOU-UHFFFAOYSA-N 357.417 4.266 0 1 FIAF CC(C)Oc1ccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2c1 587246605 CXJWNHPAEUUZEV-UHFFFAOYSA-N 352.438 4.397 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1cccnc1)O2 587396065 WNJSTKXKJJPYQL-NRFANRHFSA-N 360.413 4.258 0 1 FIAF COc1cc2c3c(c1)O[C@@H](CCc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587420830 HQDKHQPACOSBGI-CVEARBPZSA-N 362.347 4.463 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)c(F)c(O)c(F)c1F)CC2=O 587466361 NHLMUNBZNWKUJE-LLVKDONJSA-N 370.298 4.313 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)Oc3cc(N)ccc31)CC2=O 587472549 JNNCRNCDUPZFPI-NRFANRHFSA-N 351.402 4.084 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)CCCCC(=O)OC)CC2=O 587477813 HESNRQWUVSUYPR-SZNDQCEHSA-N 362.466 4.438 0 1 FIAF COc1cc(N)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587512009 TYEFXFYVWRPFEC-QFIPXVFZSA-N 367.445 4.045 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc(Cl)c2)N1 587702539 DOUJUSGWWCTTHI-ABKXIKBNSA-N 369.665 4.434 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCN(C)C)N1 587738555 BBQLGRAWLNPKPF-YVEFUNNKSA-N 357.311 4.070 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NC1CCCC1 587866160 WFPOKOOICXXBFB-UHFFFAOYSA-N 367.371 4.468 0 1 FIAF CC[C@]1(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)CC(=O)c2ccccc2C1 587962624 YCZBBUKCTKLFGF-GOSISDBHSA-N 374.366 4.091 0 1 FIAF Cn1cccc1CN1CCc2sccc2[C@@]1(CCC(=O)O)C(C)(C)C 962399454 PYGQMGDMYKAMCA-FQEVSTJZSA-N 360.523 4.251 0 1 FIAF CCCOc1ccc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1CO 963096379 NFIRHOAGDKGTCP-SIKLNZKXSA-N 355.453 4.217 0 1 FIAF Oc1ccc2c(c1)[C@@](CC1CC1)(c1ccc(Br)cc1)NCC2 963340728 HQXJOPZQBDKZAS-LJQANCHMSA-N 358.279 4.344 0 1 FIAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C[C@@H]1COc2ccccc2C1 1772593835 KYPMWPBSHKBJME-JDMIUSOHSA-N 363.501 4.168 0 1 FIAF O=C(C[C@]1(O)CC[C@@H](Cc2ccccc2)CC1)Nc1ccc2n[nH]cc2c1 1772648697 LJRCMWBVEMJYES-LMTLIKQPSA-N 363.461 4.056 0 1 FIAF CSc1nc2cc(C(=O)Nc3cccc(Cl)n3)c(Cl)cc2n1C 1857761081 YQLJYLJWJBUEJA-UHFFFAOYSA-N 367.261 4.249 0 1 FIAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@@H]13 2356381095 AENSHGKORGDOBI-YMULTXDZSA-N 357.538 4.421 0 1 FIAF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 3977847 VQHQLBARMFAKSV-CUUWFGFTSA-N 356.462 4.400 0 3 FIAF in-vitro COc1ccc(OC)c([C@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)c1 61906313 UEEHJLHWVFJSBH-NRFANRHFSA-N 360.413 4.329 0 3 FIAF CCOC(=O)N(CC)c1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O 1656558 MCMOXMOETHCJQP-UHFFFAOYSA-N 354.328 4.044 0 1 FIAF Nc1cccc[n+]1CCCCCCCCCCCC[n+]1ccccc1N 13560564 INLLZWDEFDHBMY-UHFFFAOYSA-P 356.558 4.027 0 1 FIAF O=C1Cc2ccccc2N1C1CCN([C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 13561288 UXEWRPZUKRZGHB-PIPMEXSNSA-N 352.522 4.399 0 1 FIAF C[C@@H](Nc1ncnc2c1nnn2Cc1ccccc1Cl)c1ccccc1 13778548 NFBQDUZJGGQEPE-CYBMUJFWSA-N 364.840 4.096 0 1 FIAF Fc1ccc([C@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3)O2)cc1 28768161 KHBVWCGCBHAJJZ-RTBURBONSA-N 358.800 4.317 0 1 FIAF CCCOc1ccc2c(C)cc(=O)oc2c1CN1CCc2ccccc2C1 29062475 JXTMYLVWJOHIQY-UHFFFAOYSA-N 363.457 4.449 0 1 FIAF O=C(O)c1ccc2c(c1)[C@@H]1CCN[C@H](Cc3cccc4ccccc34)[C@@H]1N2 40461361 FPRFIUYLFZQUHW-VLCRHTCISA-N 358.441 4.020 0 1 FIAF CN1C[C@H]2CN(c3ccc(-c4cccc(-c5ccccc5)c4)nc3)C[C@H]2C1 40977150 VKDPCCLZRTXWDV-SZPZYZBQSA-N 355.485 4.413 0 1 FIAF O=C(O)C[C@@H]1COc2cc(OCc3nc(-c4ccccc4)cs3)ccc21 59570333 OTHQVFSMEXTSSC-CQSZACIVSA-N 367.426 4.340 0 1 FIAF COc1ccc(Oc2c(Cl)cnn(-c3cccc(Cl)c3)c2=O)cc1 66112373 UUXCOHOSVVRKLO-UHFFFAOYSA-N 363.200 4.340 0 1 FIAF CC(C)CCN1C[C@H]2[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)CC[C@H]2C1 66136405 LUMJFYQEUQLNSP-VHSSKADRSA-N 369.336 4.480 0 1 FIAF C[C@@H](OC(=O)C(Br)(C(F)(F)F)C(F)(F)F)C(C)(C)C 68573942 SAPYOWCAZJCUQV-RXMQYKEDSA-N 359.104 4.223 0 1 FIAF biogenic O=C(c1ccc2[nH]ccc2c1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 71330481 IXELDSLDTIRNMA-JCTONOIOSA-N 374.484 4.460 0 1 FIAF CC(C)(C)n1c(-c2cccc(F)n2)nc2cc(-c3cnc(N)nc3)ccc21 169253988 XOEAAZDMLDGUPE-UHFFFAOYSA-N 362.412 4.032 0 1 FIAF CCN(C(=O)c1ccccc1)[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169324204 LSMXYAMENPBDRK-AVRDEDQJSA-N 373.500 4.392 0 1 FIAF COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@H]2CO)c(C(C)(C)C)c1 299813225 LVONHWRLBWQDCP-NNWRFLSQSA-N 368.473 4.429 0 1 FIAF Cc1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587004426 UZRHUWCZUWRWDP-NSHDSACASA-N 371.234 4.269 0 1 FIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587070956 UOJPGXJKTUHZRM-VIFPVBQESA-N 355.656 4.203 0 1 FIAF Cc1ccc(C)c2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587118858 RMZXMKQOBBZFOO-UHFFFAOYSA-N 361.327 4.098 0 1 FIAF N[C@H](N=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133936 FOFJAHGSUJUDOQ-ZENLRNHISA-N 368.265 4.153 0 1 FIAF C[C@]1(c2nc3ccc(Br)cc3[nH]2)C=C(c2ccccc2F)NO1 587158345 WPBURYCXEFIBJY-QGZVFWFLSA-N 374.213 4.256 0 1 FIAF Fc1ccc(I)cc1-c1nc2c(Cl)ccnc2[nH]1 587183154 USMYNYNEEOFSRA-UHFFFAOYSA-N 373.556 4.022 0 1 FIAF C[C@@H]1CCC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587353838 PEKRZBNCWQIBBD-HXGDPMPDSA-N 354.377 4.018 0 1 FIAF CCOC(=O)C[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587377114 GZXVSCSENSERQN-FQEVSTJZSA-N 373.836 4.045 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1[nH]c1ccc(F)cc31)O2 587384560 MEYBKGNHFICKKI-OAQYLSRUSA-N 350.393 4.395 0 1 FIAF C[C@]1(c2ccc(O)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567162 FMLUQQGMQIAZNV-GHTZIAJQSA-N 366.344 4.114 0 1 FIAF CC(C)(CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O 587601655 FBZYURIVPHTJFO-HRAATJIYSA-N 370.401 4.004 0 1 FIAF Nc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3c(C(=O)O)cccc23)cc1 587637658 FOVKCIHJOULRHT-UHFFFAOYSA-N 372.380 4.335 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccnc1Cl 587655997 SDAYNHXPMXDQDZ-UHFFFAOYSA-N 369.758 4.379 0 1 FIAF Cc1nc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850944 GSVNXUCHKXPFQF-UOWDBTKRSA-N 355.276 4.285 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc2c(c1)CCC2 587867829 CJSRCEKUBMKFJT-UHFFFAOYSA-N 359.351 4.450 0 1 FIAF O=C([C@H]1CCN(Cc2ccccc2)C1)n1nc2cc1Oc1ccc(F)cc1-2 587876404 SKCKTXLHHGNRHU-HNNXBMFYSA-N 363.392 3.957 0 1 FIAF O=S(=O)(O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587962759 XSYKCSWMUNLAMY-UHFFFAOYSA-N 364.426 4.067 0 1 FIAF COc1ccc2c(c1)[C@]1(CCC3(CCCC3)C[C@H]1CN)N(C(C)C)CC2 962092982 RPZRJADVBQJKKE-WMZHIEFXSA-N 356.554 4.476 0 1 FIAF COc1cc(Br)c(/C=C/c2cccc(OC)c2O)cc1OC 1772602376 AZDJJHWVZLOKHM-BQYQJAHWSA-N 365.223 4.351 0 1 FIAF COc1cccc(OC)c1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772636694 USYMSCJIJPATSK-HNNXBMFYSA-N 369.442 4.434 0 1 FIAF CC=C[C@@H]1[C@H](C(=O)OCc2c(F)c(F)c(COC)c(F)c2F)C1(C)C 1857627259 KVIZNNVXXNFLMU-VXGBXAGGSA-N 360.347 4.281 0 1 FIAF COC(C=CC(=O)O)=CC(C)=C[C@@H]1CCC[C@@H]2Oc3ccc(O)cc3[C@@H]12 2356340922 BIFOIGIRZDSYFB-ONTRVFCTSA-N 356.418 4.154 0 1 FIAF C[C@H]1[C@H]2C[C@H](OC(=O)NCc3ccc(Cl)cc3)[C@@H](C2)[C@H]2CCCCN12 263590740 MQURWIBJCXZVGI-ZVZCOSHISA-N 362.901 4.218 0 3 FIAF COc1ccc([C@@]2(OC(C)=O)Sc3ccccc3-n3cccc32)cc1 13651980 JPKWROHZSHVEFV-HXUWFJFHSA-N 351.427 4.356 0 1 FIAF COc1cc(OC)c(-c2coc3cc4occc4cc3c2=O)cc1OC 14559606 VHLZJIBDJSOIAT-UHFFFAOYSA-N 352.342 4.232 0 1 FIAF biogenic O=C(NCCCNCc1ccccc1)Nc1ccc(C(F)(F)F)cc1 28396190 JBKKFANVVKLHOG-UHFFFAOYSA-N 351.372 4.007 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cc2cc3ccccc3[nH]2)c(C)c1 28820758 QWBRITHMFPFPNY-MRXNPFEDSA-N 356.491 4.003 0 1 FIAF COc1cccc(Nc2cc(C(F)(F)F)nc([C@@H]3CCCCN3)n2)c1 34021826 CVAQEZWZWFONDL-ZDUSSCGKSA-N 352.360 4.062 0 1 FIAF COc1ccc2c(c1)[C@H](c1ccccc1N)N(CCOc1ccccc1)CC2 40407484 ZBZLSJOEHCUEAM-DEOSSOPVSA-N 374.484 4.304 0 1 FIAF Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@](C)(O)C2)CC1 40891899 LLVIHIGNWJROAZ-NTKDMRAZSA-N 364.533 4.430 0 1 FIAF COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1 63298417 UQJQNZHGEVLHST-UHFFFAOYSA-N 373.210 4.045 0 1 FIAF O=C(Nc1ccc(NC(=O)c2ccccc2Cl)c(F)c1)c1ccccn1 66076936 NYDUFWZZLKDRLO-UHFFFAOYSA-N 369.783 4.379 0 1 FIAF CCC(CC)C(=O)Nc1cc(NC(=O)/C=C/c2ccccc2)ccc1O 96929291 DJHRCKBEPQNVEU-JLHYYAGUSA-N 352.434 4.419 0 1 FIAF COc1cc2c(cc1[C@H](C)NC(=O)Cc1ccccc1)C=CC(C)(C)O2 96932039 DYUKCRHQNWNTFU-HNNXBMFYSA-N 351.446 4.299 0 1 FIAF COc1ccc(-c2c3cc(OC)c(OC)cc3cc3c2nc(N)n3C)cc1 103158977 ADAJQGCVARDFOO-UHFFFAOYSA-N 363.417 4.002 0 1 FIAF biogenic c1ccc(-c2nc3c[nH]n(Cc4ccncc4)c-3n2)c(OC2CCCC2)c1 103589999 YJDMDMLJCFJZKA-UHFFFAOYSA-N 359.433 4.143 0 1 FIAF COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@H](N2CCCC2)[C@@H]1C)OCO3 105518591 GUTQDDXXUDZPIR-KHIBUBOWSA-N 367.445 4.006 0 1 FIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(Cl)ccc1Oc1ccc(F)cc1 143182442 QDWZJQPXKINAHW-UHFFFAOYSA-N 358.756 4.212 0 1 FIAF Cc1cc(NCc2c(F)ccc(Cl)c2F)c2cccc(C(N)=O)c2n1 473086384 BQWGWJKSDOBDFS-UHFFFAOYSA-N 361.779 4.186 0 1 FIAF CCc1cc(O)nc(SCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)n1 586966601 KYBWVZGRMJLVMN-UHFFFAOYSA-N 372.347 4.071 0 1 FIAF CCS(=O)(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587073747 LCFHWFVCPYJDGW-UHFFFAOYSA-N 374.893 4.480 0 1 FIAF CCOc1ccccc1[C@](N)(c1nc2ccc(Cl)cc2[nH]1)C(F)(F)F 587093393 UAKCIDOSJFXAIU-INIZCTEOSA-N 369.774 4.380 0 1 FIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(F)cc2[nH]1 587113220 PCZVEAXLIKCSBD-QGZVFWFLSA-N 365.330 4.120 0 1 FIAF Fc1cnc(Cl)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc12 587120498 LTNQXGILXMPZHX-UHFFFAOYSA-N 355.682 4.313 0 1 FIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(F)c4[nH]3)cc2N1 587126145 WAARWPDLMHMCBL-KGFZYKRKSA-N 357.286 4.012 0 1 FIAF CC(=O)c1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587234838 AIANDRJXQJFMHY-HUUCEWRRSA-N 357.454 4.316 0 1 FIAF N=c1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c2ccccc2[nH]1 587254784 ZLSVQRQAYKJNQH-UHFFFAOYSA-N 364.408 4.422 0 1 FIAF CCC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)COC1 587361472 YWEHCDGUBCVJHA-AZUAARDMSA-N 356.393 4.076 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3cccc(C)c3C)CC1)O2 587396721 VWFRDYWZBGLYKN-UHFFFAOYSA-N 350.462 4.198 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1C)[C@@H](C2)C3=O 587412664 JQLOPTFZBDXMFW-KSSFIOAISA-N 359.219 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc4cccc(OC)c4o1)[C@@H](C2)C3=O 587447891 ABWCYEFEDDQRQR-QKKBWIMNSA-N 350.370 4.113 0 1 FIAF CC(C)[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587798 PXDXHIWKZIKYBR-DENIHFKCSA-N 361.397 4.300 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2F)N1 587731286 YWLNMXGGBUPDHI-VPTHRUTESA-N 354.194 4.057 0 1 FIAF CCCCOc1cc2nc(COCCOCC)[nH]c2cc1Br 587778228 IQOQYVQJPOKNAF-UHFFFAOYSA-N 371.275 4.057 0 1 FIAF COc1ccc(C)cc1C(=O)CCc1nc2c(Cl)c(Cl)cnc2[nH]1 587788098 VUEJWCQNLKKZKO-UHFFFAOYSA-N 364.232 4.397 0 1 FIAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587807205 KDGOMSPXOLMVLP-DYZYQPBXSA-N 350.231 4.220 0 1 FIAF CC[C@]1(CC(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815689 OTEJUBACAQGSQN-DYZYQPBXSA-N 354.263 4.097 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(OC)n1 587865787 IXJXMFJFNQXLKK-UHFFFAOYSA-N 363.339 4.360 0 1 FIAF COc1ccc(/C=C/Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(OC)c1 587928996 JBIYDVOBZVMRSH-ONEGZZNKSA-N 374.343 4.158 0 1 FIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(Br)cc3[nH]2)cc1 587934331 CDIWDJPBZAVUCO-MGPLVRAMSA-N 361.239 4.171 0 1 FIAF COc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)co2)cc1OC 621431093 NRKWSJXFIGEWNU-UHFFFAOYSA-N 363.413 4.162 0 1 FIAF Nc1cc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)ccc1C(=O)O 653692109 HEQOOWUEOBULGD-UHFFFAOYSA-N 351.383 4.033 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 1772587517 UPYNCGPVBFPDTB-XOBRGWDASA-N 358.869 4.195 0 1 FIAF COc1ccc(-c2ccc(Cn3cc(-c4ccccc4F)nn3)cc2)cn1 1857542523 AOXMXKZZJGQNES-UHFFFAOYSA-N 360.392 4.203 0 1 FIAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H](C)[C@H]1OC(C)=O 2356480791 QGJOZBRXAVBQQO-CVJJKLGYSA-N 374.477 4.159 0 1 FIAF CC[C@@H]1CC[C@@H](C)N(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 3955307 LBQBVEOMGIXIIR-HZPDHXFCSA-N 362.477 4.336 0 1 FIAF Cc1cc(C)c2nc(N3CCC[C@@H](C(=O)NCc4ccco4)C3)sc2c1 5107514 NEZHHZPCYBANIF-OAHLLOKOSA-N 369.490 4.039 0 1 FIAF Cc1c2c(=O)oc3ccccc3c2nn1-c1cccc(Br)c1 26823210 VQCAHBHEKMJWGQ-UHFFFAOYSA-N 355.191 4.203 0 1 FIAF Cc1cc(=O)oc2c(OCCCN(C)C)c3oc4c(c3cc12)CCCC4 27442126 HDPOQTZAVXOKEM-UHFFFAOYSA-N 355.434 4.057 0 1 FIAF C[C@H](CCO)[C@@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 28520287 UVFIJTYAZWJSFV-DIFFPNOSSA-N 374.836 4.152 0 1 FIAF O=C(O)c1c(Cc2ccc(Cl)cc2)[nH]c2c3c(ccc2c1=O)CCCC3 35087044 PZZILHDVXLFOEJ-UHFFFAOYSA-N 367.832 4.349 0 1 FIAF CCC[C@H](CNC)NC[C@@H](CCC)NCCC12CC3CC(CC(C3)C1)C2 45286131 BOUSYECNGBAOLG-GOTACUBISA-N 363.634 4.329 0 1 FIAF CC(C)c1ccc(-n2ncc(Cl)c(Oc3ccc(CO)cc3)c2=O)cc1 66156703 BRSNXYWTPOJCCY-UHFFFAOYSA-N 370.836 4.294 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(SC(F)(F)F)cc2)C[C@H]2CC[C@H]1N2C 101281181 UVNCBAMPWZRVGM-NGFQHRJXSA-N 359.413 4.038 0 1 FIAF C[C@@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl 103173046 IYGJSAHUCBRNBR-QGZVFWFLSA-N 364.232 4.285 0 1 FIAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cccnc2)C2=C(O)CCCC2=N1 104702234 GYJGLIKGYFYOJT-FQEVSTJZSA-N 374.444 4.232 0 1 FIAF CCOC(=O)CCn1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21 144613226 XPQJLRNKOTVYFP-UHFFFAOYSA-N 360.413 4.103 0 1 FIAF CN(C)CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)Oc2ccccc21 169324446 CYYFVKFKYLLKGQ-RGEXLXHISA-N 356.853 4.058 0 1 FIAF Cc1ccc2c3c(cc(CC(=O)C(F)(F)F)nc13)-c1ccccc1C2=O 586993044 JRJSEUNAALJLSV-UHFFFAOYSA-N 355.315 4.429 0 1 FIAF COc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1Cl 587092573 WLIQPTKXEYRWQC-UHFFFAOYSA-N 357.719 4.228 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2cc(F)cc(F)c2[nH]1)C(F)(F)F 587093673 XWGJDBNEFHIWLK-MRXNPFEDSA-N 371.309 4.004 0 1 FIAF Fc1cc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2cc1Cl 587117352 GFALVJLJRDPUNA-UHFFFAOYSA-N 358.726 4.496 0 1 FIAF COc1c(F)cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1F 587134538 ITUIDHKAGGCDEE-UHFFFAOYSA-N 357.129 4.418 0 1 FIAF N=c1[nH]ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587158702 KLZYRUQRFWAZAO-QGZVFWFLSA-N 368.799 4.331 0 1 FIAF Cc1cc(Br)c2[nH]c(Cc3c(F)cncc3Cl)nc2c1 587175784 HPCUPBUTEYWLNL-UHFFFAOYSA-N 354.610 4.412 0 1 FIAF Nc1ccc(-c2ccc3nc(-c4ccc(Cl)nc4F)[nH]c3c2)cc1N 587177530 LUSPDEFNWRBRHK-UHFFFAOYSA-N 353.788 4.249 0 1 FIAF CCCCCOc1cc2nc(C[C@H](C)N(C)C)[nH]c2cc1Br 587192601 WPLFLKLKEXRUAO-LBPRGKRZSA-N 368.319 4.387 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccncc1)(c1ccc(F)cc1)O2 587384029 JEJMQGTVBMSTNR-QFIPXVFZSA-N 362.404 4.215 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)c4ccccc14)[C@@H](C2)C3=O 587430899 WPLNJUJLQWUMPK-MBSDFSHPSA-N 359.425 4.403 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccccc3)n1C)CC2=O 587471826 VXPAWDQPQFLJSV-HXUWFJFHSA-N 362.429 4.452 0 1 FIAF O=C1C[C@@](c2ccccc2)(c2ccncn2)Oc2c1ccc1c2CCCC1 587516039 TYNDQVMCCVIRJN-HSZRJFAPSA-N 356.425 4.264 0 1 FIAF Cc1c[nH]c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 587588167 JXUYQJKLIJXFRY-NQIIRXRSSA-N 372.380 4.280 0 1 FIAF CC1(C)CC2(CC(C)(C)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587618897 VIEUMFXXVNWMFS-KRWDZBQOSA-N 368.429 4.460 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CF)(c2ccccc2)N1 587713011 BTSALKCWWCJBIO-GTNSWQLSSA-N 352.222 4.336 0 1 FIAF CCO[C@@H]1C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587807906 FDDIDYCCALKAOU-GDKCJGSASA-N 356.279 4.153 0 1 FIAF CCC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 587834292 KQCUQHVFLVRHMY-MEDUHNTESA-N 356.279 4.370 0 1 FIAF CCc1ccc(C(=O)CCc2nc3ccc(Br)nc3[nH]2)cc1 587954786 APTVNFAJLWKLDD-UHFFFAOYSA-N 358.239 4.098 0 1 FIAF COc1nc2ccccc2cc1/C=C/c1noc(COc2ccccc2)n1 653794495 HVUSHAVUXGDBEF-VAWYXSNFSA-N 359.385 4.376 0 1 FIAF FC(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2cccnc2)cn1 963010424 NPGLTNZFQWJHMR-SFHVURJKSA-N 373.428 4.287 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(O)cc1C(F)(F)F 963610218 OMRJAYYXUZWMBM-YPMLDQLKSA-N 367.367 4.052 0 1 FIAF NC(=S)c1cccc(-c2cn(CCC(F)(F)F)c3cc(N)ccc23)c1 1857602964 ITTWPRPFFUCCJR-UHFFFAOYSA-N 363.408 4.477 0 1 FIAF Nc1sc(-c2ccccc2)cc1C(=O)NCCc1c[nH]c2ccccc12 103061919 VNDAWTXUFXTAOZ-UHFFFAOYSA-N 361.470 4.451 0 3 FIAF COc1cccc2c1CCC[C@@H]2CCN1CCN(c2ccccc2)CC1 13760529 JAVQDOJQALZLNZ-LJQANCHMSA-N 350.506 4.327 0 1 FIAF COC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@H]34)[C@@]1(C)C2 27422369 MAQMGMISLYBNHO-MVPJWFCXSA-N 372.505 4.385 0 1 FIAF Cc1ccccc1NC(=O)Nc1ccc(-c2ccnc3[nH]nc(N)c23)cc1 29129654 NXYRUIDMZGFWFN-UHFFFAOYSA-N 358.405 4.160 0 1 FIAF CC(=O)Nc1cccc(Oc2cc(NCc3cc(F)ccc3F)ncn2)c1 82067530 PYNPNBJAUZSFKW-UHFFFAOYSA-N 370.359 4.118 0 1 FIAF CN1[C@H]2CC[C@H]1[C@H](OC(=O)N1c3ccccc3Sc3cccnc31)CC2 101219441 MMNMRACPVNWKDQ-OFQRWUPVSA-N 367.474 4.446 0 1 FIAF O=C(Nc1ccc(Cl)cn1)c1cn(-c2ccccc2)nc1C(F)(F)F 103183464 QEBAVEXZKWTLQV-UHFFFAOYSA-N 366.730 4.192 0 1 FIAF NC(=O)c1ccc(Oc2ccc(CNCCC3CCCCC3)cc2)nc1 165508357 PHWMNWJJQHFBDM-UHFFFAOYSA-N 353.466 4.033 0 1 FIAF Cc1noc(C)c1-c1ccc2c(c1)[C@](O)(CCCc1ccccc1)C(=O)N2 219548926 GDPDPLUWNNZVIQ-JOCHJYFZSA-N 362.429 4.121 0 1 FIAF Cc1oc2c(c1-c1nc3c(C)c(Br)cnc3[nH]1)C(=O)CCC2 586903645 MHJUFQGHWWDUQS-UHFFFAOYSA-N 360.211 4.116 0 1 FIAF O=C(c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992479 XAGDFLZBHMJZJR-UHFFFAOYSA-N 351.361 4.383 0 1 FIAF Clc1nccnc1N1CCC(c2nc3ccc4c(c3[nH]2)CCCC4)CC1 587084519 BWTQLWBYUATXOO-UHFFFAOYSA-N 367.884 4.269 0 1 FIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(F)c4[nH]3)cc2N1 587126147 WAARWPDLMHMCBL-UPONEAKYSA-N 357.286 4.012 0 1 FIAF N=C(N)c1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587137882 QDGRHFLXLIOLML-UHFFFAOYSA-N 367.609 4.069 0 1 FIAF CC(C)Oc1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587154677 GAWVFBBBDOTGBZ-HXUWFJFHSA-N 353.397 4.280 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(Cl)ccnc2[nH]1 587233984 UNPFZLUPUZJPQS-ZYHUDNBSSA-N 350.850 4.162 0 1 FIAF CCSC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587368888 AXSXJAYQSTZBIA-UYAOXDASSA-N 374.433 4.319 0 1 FIAF Cc1cc(C)c(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587388079 VQIPIGVQGGHZFM-JOCHJYFZSA-N 366.461 4.255 0 1 FIAF Cc1ccc(C(=O)c2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n(C)c2)cc1 587389352 HQOZIRJZOWYKPT-NRFANRHFSA-N 374.440 4.162 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c(C)c(CCC(=O)O)c1C)CC2=O 587481615 GYNXOQBGQZOGRI-SFHVURJKSA-N 371.433 4.013 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCc3nc(Cl)sc3C1)CC2=O 587495123 NNUHLEYOEIFMNN-GOSISDBHSA-N 363.866 4.348 0 1 FIAF CC(C)(C)OC(=O)NCC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587514261 WIAHHACPWNPWOR-NRFANRHFSA-N 359.466 4.204 0 1 FIAF C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C 587517497 OGXCXQYWWUAADA-PEBXRYMYSA-N 371.477 4.299 0 1 FIAF Cc1nn(C(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580697 IYCMTQOOLBQKEL-GHTZIAJQSA-N 364.401 4.181 0 1 FIAF Cc1ccc(OC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593681 MRXFXYQFKHVBRL-PMACEKPBSA-N 362.381 4.110 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCc2ccccc21 587604140 ROPCQEUWSLYIGP-ITSWEJNFSA-N 358.393 4.452 0 1 FIAF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H](NC(=O)OC(C)(C)C)C(=O)O 587624796 RRQSLBFQVBDGQY-CQSZACIVSA-N 352.818 4.089 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N)ccc2F)N1 587717743 LOWNOEMYYIWWGV-XLFHBGCDSA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccccn23)N1 587771137 BOQXUCIAPFFNIU-VOJFVSQTSA-N 374.257 4.034 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2scnc2Cl)N1 587854640 RLIGVUOXJODOFT-KBUNVGBDSA-N 361.667 4.322 0 1 FIAF COc1cccc(-c2cc(O)cc(-c3nc4nc(Cl)c[nH]c-4n3)c2)c1 587933165 LHASCCSSXNUVFP-UHFFFAOYSA-N 352.781 4.006 0 1 FIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2cccc(Cl)c2)([C@@H](C)O)N1 962951910 PHCLWASAXCIWST-NZCGUCNHSA-N 354.881 4.370 0 1 FIAF Cc1ccnc2c1CCN[C@@]2(C)c1ccccc1NC(=O)CCC(C)C 963069529 NGHKTRULEGISFL-QFIPXVFZSA-N 351.494 4.174 0 1 FIAF Fc1cccc2c1[C@H](c1cnc(NCc3ccccc3)nc1)N1CCC[C@@H]1C2 963102439 MSBPTLQPPHFHRC-KNQAVFIVSA-N 374.463 4.338 0 1 FIAF CCOC(=O)C[C@]1(c2cccc(F)c2)c2c(F)cccc2C[C@H]2CCCN21 963102549 KRIROOGDTKXCFG-GCJKJVERSA-N 371.427 4.182 0 1 FIAF CN1C(=O)C[N@@]2C(Cl)(Cl)[C@@]2(c2ccccc2)c2cc(Cl)ccc21 1857623609 MBDAGNNYSNKUSM-OPAMFIHVSA-N 367.663 4.007 0 1 FIAF CCCCCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@@H]1CC=CCCC(=O)O1 2356457013 ZMCHHZFBGBLCJE-ZPAWYTMASA-N 362.510 4.079 0 1 FIAF CC[C@@H](C)NC(=O)Nc1ccc2c(c1)N(C)C(=O)c1ccccc1S2 2948126 ANQMJVPVVXLRBE-GFCCVEGCSA-N 355.463 4.348 0 3 FIAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214063 AFNARRDFYIYFQY-HZEGPAAWSA-N 372.509 4.120 0 1 FIAF COc1ccccc1-c1nc(NCc2cnc(C)cn2)c2ccccc2n1 4268486 NXJAAAAQVKWCEV-UHFFFAOYSA-N 357.417 4.016 0 1 FIAF Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)nc1 13755799 YNOSXIZNGZQQRP-UHFFFAOYSA-N 359.397 4.406 0 1 FIAF CC(C)(C)c1cc(-c2cn3c(n2)S(=O)(=O)C=C3)cc(C(C)(C)C)c1O 27104938 SONTXAUMBQAKPN-UHFFFAOYSA-N 360.479 4.066 0 1 FIAF O=C(O)c1ccc(NC2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 27524505 NGCBUAOPBQIXLK-UHFFFAOYSA-N 374.440 4.255 0 1 FIAF NS(=O)(=O)c1ccc(-c2ccc(F)c(F)c2-c2ccc(F)cc2)cc1 28370244 WUGHRYZSQCDWCT-UHFFFAOYSA-N 363.360 4.085 0 1 FIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC[C@@H](C)C3=O 29133860 SGNDCZSMFXEQAV-LLVKDONJSA-N 354.402 4.141 0 1 FIAF Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccccc2)c1 34819361 GIHIMWKXGZBYFF-UHFFFAOYSA-N 364.445 4.117 0 1 FIAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@@H](C1CCCCC1)C2 39220336 PEMAXPHUHOGZQE-LLVKDONJSA-N 357.233 4.392 0 1 FIAF COc1cc(N[C@H](C)CCCNC(=O)NC2CCCC2)c2ncccc2c1 40848097 HBQMVULINFGGEK-OAHLLOKOSA-N 370.497 4.066 0 1 FIAF Clc1ccc(OCc2nnc3n2CCN3c2ccc(Cl)cc2)cc1 40848750 JKRDSYRHXMOYQX-UHFFFAOYSA-N 361.232 4.316 0 1 FIAF Cc1ccc(Oc2c(O)cc(S(=O)(=O)c3ccc(C)cc3)nc2C)cc1 40861722 CAMBZJPTAHNURH-UHFFFAOYSA-N 369.442 4.338 0 1 FIAF CC(C)OC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F 40876700 ITTBAYRJZQQWTI-UHFFFAOYSA-N 353.752 4.436 0 1 FIAF O=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccccc2)nc1 49035016 FWCCJDYYJWWQOS-UHFFFAOYSA-N 352.482 4.136 0 1 FIAF O=C(O)C1=CCCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64454249 SKOALCKWENTDHG-DHLKQENFSA-N 373.496 4.341 0 1 FIAF COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccc(C(F)(F)F)cc1 64527730 OQCFUIXLIJAWNB-CMDGGOBGSA-N 367.279 4.181 0 1 FIAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@H]3C(=O)OC[C@H]3[C@]12C 85912847 SPWYWLLHMLQUGG-YGNPUIHWSA-N 362.510 4.360 0 1 FIAF O=C(OC[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccs1)CN32)c1ccccc1 100909258 SPPHJQRBMCMDGZ-ZXMNTEBCSA-N 365.498 4.471 0 1 FIAF O=C(Cc1cccc(-c2ccoc2)c1)Nc1ccc(Cl)cc1C(=O)O 113791019 OMJDYJJCLCIPPV-UHFFFAOYSA-N 355.777 4.479 0 1 FIAF CCOC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 164620378 HAGCRJSBUXFFFS-NSHDSACASA-N 353.262 4.342 0 1 FIAF FC(F)(F)Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 206689987 RXEIDFSWABFHSZ-LJQANCHMSA-N 365.395 4.419 0 1 FIAF O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(Cl)c3)c[nH]2)CC1)c1ccon1 261071693 AFHJVERWEBAZJU-JNSHFYNHSA-N 370.840 4.174 0 1 FIAF OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@@H]1[C@@H]3CC[C@@H]3[C@@H]12 261518037 GJFCEMOCWVYDKT-OOMYZOMGSA-N 364.570 4.405 0 1 FIAF in-vitro CCS(=O)(=O)c1ccccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 586921979 JKUMMUBNCKGPAM-UHFFFAOYSA-N 355.246 4.330 0 1 FIAF CC(C)Oc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085534 YJJFADHEJWFVKD-UHFFFAOYSA-N 371.872 4.178 0 1 FIAF COc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C(F)(F)F)c1 587098809 XCSZYKLMUJAKDV-UHFFFAOYSA-N 361.323 4.142 0 1 FIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cncc(Cl)c2[nH]1 587120868 XYARXXGAUYCUFI-UHFFFAOYSA-N 355.629 4.039 0 1 FIAF Fc1ccccc1CCc1nc2ccc(I)cc2[nH]1 587148778 GZAWPGFGNHANRB-UHFFFAOYSA-N 366.177 4.092 0 1 FIAF O=c1c(-c2nc3cncc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170593 DIOFLNIXVKLMEY-UHFFFAOYSA-N 372.762 4.206 0 1 FIAF Cc1cccc(NC(=O)Cc2nc3ccc(Br)cc3[nH]2)c1C 587238580 DFTZBKOBOGWDSM-UHFFFAOYSA-N 358.239 4.123 0 1 FIAF CCN1CC[C@]2(C[C@@H]1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343004 IZQWTVOJCXJOLJ-PRPYNDMISA-N 369.436 4.133 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)n(C)c3ccc(C=O)cc13)O2 587378861 DTSSGZKAVYJORO-QGZVFWFLSA-N 368.820 4.241 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3C)c1C)O2 587392086 WDAVVSBBCRDIIM-HXUWFJFHSA-N 361.445 4.395 0 1 FIAF CCOc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@@H](C)C2 587407599 DASOEVIANGCOLD-YUNKPMOVSA-N 353.418 4.006 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587442409 WNNMKNANCIZZSH-JXFKEZNVSA-N 366.413 4.139 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OCC)C[C@H]1C)CC2=O 587481674 RGMGQLUAJXJACW-ZMOMAAQPSA-N 360.450 4.048 0 1 FIAF CCOC(=O)c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587515761 QVHSEYRPTUIVLL-QFIPXVFZSA-N 365.429 4.018 0 1 FIAF CC(=O)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604799 YSHWXRHWXABIFT-SIKLNZKXSA-N 360.365 4.298 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3[nH]ncc23)N1 587798696 VLLIEHMUXVTYMK-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3[nH]ccc23)N1 587800158 APTAFELRAAGBOQ-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc[nH]c3nccc2-3)N1 587807516 XJIQWDBLZFXFOO-MLCYQJTMSA-N 374.257 4.214 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cnccc3[nH]2)N1 587808326 YICQHVVPTSZACY-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF NC(=O)/C(=C/c1ccccc1O)c1nc(-c2cccc(Cl)c2)cs1 587920487 MCVLOAMVGKNAPA-ZROIWOOFSA-N 356.834 4.195 0 1 FIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 587926109 HPXCXEYYURKDSL-AWEZNQCLSA-N 368.433 4.283 0 1 FIAF CCOC(=O)C[C@@]1(c2cccc(F)c2)c2c(F)cccc2C[C@H]2CCCN21 963102552 KRIROOGDTKXCFG-XMSQKQJNSA-N 371.427 4.182 0 1 FIAF O=c1c2sc(SCc3ccccc3)nc2ncn1-c1ccccc1F 1857564252 HPGMTDVMSXLPPT-UHFFFAOYSA-N 369.446 4.274 0 1 FIAF NC(=S)c1cccc(-c2cn(CC(CF)CF)c3cc(N)ccc23)c1 1857614592 PNWFBFCIPAKUQR-UHFFFAOYSA-N 359.445 4.080 0 1 FIAF O=c1cccccc1NCCCCCCCCNc1cccccc1=O 1613632 UKGMYLQCXMOFOY-UHFFFAOYSA-N 352.478 4.272 0 3 FIAF COC(=O)N1Cc2ccnnc2C[C@@H]1c1ccccc1-c1ccc(F)cc1 199735163 VQMHUWNZJCKXNA-HXUWFJFHSA-N 363.392 4.149 0 3 FIAF O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2ccsc2)cc1 3919911 BLTZCNFSGZPIFQ-OAQYLSRUSA-N 362.498 4.419 0 1 FIAF CCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1NCCOC 13613052 YCFZLPWPLRAMMG-UHFFFAOYSA-N 370.493 4.243 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OCCC(=O)O)CC[C@@]43C)[C@@H]1CCC2=O 13671472 IHKFDRLOFTXDIY-WSKGSGNSSA-N 362.510 4.458 0 1 FIAF CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)CCCCC1 13755846 CQJRQTMQRDFZJW-IBGZPJMESA-N 372.509 4.264 0 1 FIAF CCN(CC)c1nc2ccc(Cl)cc2n2c(-c3ccccc3)nnc12 26379054 HBOZDEASKBDGLI-UHFFFAOYSA-N 351.841 4.444 0 1 FIAF CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccccc1 26577262 KJUHJKQBWOIQMA-UHFFFAOYSA-N 373.378 4.189 0 1 FIAF CN1CCN(CCCCOc2ccccc2/C=C/c2ccccc2)CC1 27728892 HAKLQTHHIPSGRP-BUHFOSPRSA-N 350.506 4.263 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3cc(C)ccc23)c(C)c1 28820772 HIXBYVRFKUTGAN-KRWDZBQOSA-N 370.518 4.311 0 1 FIAF CC(C)(C)NC[C@H](O)COc1ccccc1/C=C/c1cc(C(C)(C)C)no1 29233695 ORKREIKOVRVZAW-FLVLSHQESA-N 372.509 4.270 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C[C@@H]2CC[C@H]1N2C 29474718 IHKXUTSLFDCINU-BDKRGJGYSA-N 365.473 4.102 0 1 FIAF Cc1cccc(C)c1CNc1nc(N2CCOCC2)cc2c(C)c(C)[nH]c12 45230379 QCVYKJOXAWNXAJ-UHFFFAOYSA-N 364.493 4.245 0 1 FIAF Cn1ccc2ncnc(Oc3ccc(Nc4nc5ccccc5[nH]4)cc3)c21 64437004 YXAQBFXRVSBMEL-UHFFFAOYSA-N 356.389 4.381 0 1 FIAF in-vitro CC(=O)Nc1ccc(Nc2nccc(Nc3ccc4[nH]ccc4c3)n2)cc1 64553177 VJMNOEIWBMUOIV-UHFFFAOYSA-N 358.405 4.404 0 1 FIAF COc1ccc2c(c1)Oc1ncn3ncnc3c1[C@@H]2c1ccc(Cl)cc1 95595676 LIOXBHQTYGWZNI-MRXNPFEDSA-N 364.792 4.072 0 1 FIAF COc1cccc(N(C)S(=O)(=O)c2ccc(-c3cccs3)cc2)c1 96937545 CVLJEOBEVPFRFY-UHFFFAOYSA-N 359.472 4.249 0 1 FIAF CC[C@H]1[C@H](C)C(=O)C[C@@]23CCN(CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 101753979 OQUJWCCEFSDNKI-HAWZXYJPSA-N 367.533 4.225 0 1 FIAF COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@H](C)N)cc1 164966505 RFVFHKLYSVILJI-NSHDSACASA-N 350.443 4.438 0 1 FIAF COc1ccc(OC(=O)[C@@H]2[C@@H](c3ccc(C)cc3)C[C@H]3CC[C@H]2N3C)cc1 202983418 IUPUVKOJONOTAC-BRKWEVRTSA-N 365.473 4.176 0 1 FIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OC[C@@H]4CCO4)cc3)cc12 205299479 DKFPQQPTLZDFBM-ZDUSSCGKSA-N 357.793 4.354 0 1 FIAF C[C@H](Sc1ncccn1)c1nc2c(Br)cnc(Cl)c2[nH]1 586960857 CTYYZSDNKHBCRS-LURJTMIESA-N 370.663 4.017 0 1 FIAF Cc1ccc(-c2nc(-c3nc4ccc(Br)nc4[nH]3)cs2)o1 587017790 ZIVZKXKJXFPNCQ-UHFFFAOYSA-N 361.224 4.412 0 1 FIAF N=c1cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c[nH]1 587062961 FAEOKMYRZGVWEB-UHFFFAOYSA-N 350.809 4.270 0 1 FIAF COc1cnc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1Cl 587064082 ACLWWYZYMFZQIX-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF COC(=O)c1cc2[nH]c([C@@H](C)Oc3ccc(Cl)cc3C)nc2cc1OC 587067815 QRKZSGXJNXPSRB-LLVKDONJSA-N 374.824 4.460 0 1 FIAF C[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1C(F)(F)F 587098697 SJIHXHHJBGVUFW-ZETCQYMHSA-N 360.261 4.494 0 1 FIAF Fc1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183698 GYTUIZDOIGPWLY-FPLPWBNLSA-N 364.161 4.477 0 1 FIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(O)cc2[nH]1 587191475 VEGGEBYIESFMMW-KRWDZBQOSA-N 353.422 4.225 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(Br)c2C[C@@H]1C 587372719 QYCMBJBFSVQFLA-WLRWDXFRSA-N 372.262 4.393 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(O)cc1)CC2=O 587482808 JNIUEZDKZYQIBL-LJQANCHMSA-N 364.401 4.147 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3scc(C)n13)CC2=O 587500655 UETPYWNRTHSXBG-INIZCTEOSA-N 356.447 4.377 0 1 FIAF O=C1C[C@@]2(CCc3cc4c(cc32)OCCO4)Oc2c1ccc1c2CCCC1 587535708 NLHOQDPKIQBUPH-HSZRJFAPSA-N 362.425 4.144 0 1 FIAF CCCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536583 WVBWRKWBUAKDCA-NRFANRHFSA-N 370.518 4.455 0 1 FIAF C[C@]1(c2ccnc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551565 GZTFTBLCZDVUME-FXAWDEMLSA-N 367.788 4.318 0 1 FIAF Cc1ccc(Cl)nc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551667 IHIGJYBQRURYHS-OXQOHEQNSA-N 367.788 4.452 0 1 FIAF Fc1ccc2c(N3CCNCC3)c(-c3ccc(Br)cc3)[nH]c2c1 587633159 ZDDALWHERNSJTQ-UHFFFAOYSA-N 374.257 4.146 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2F)N1 587725617 FOMIOACFNPJQII-VVVCHXIZSA-N 368.221 4.231 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Cl)c2F)N1 587725622 FPQHZPFTSWXQTC-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF COC(=O)C[C@H](C)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587783330 OOASYAMCFWHZND-SSDOTTSWSA-N 368.277 4.342 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cccnc23)N1 587804486 RCTZDWMGYYRTDX-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Br)ncc2[nH]1 587932193 VMXXRKLPQQOICI-GTNSWQLSSA-N 358.239 4.174 0 1 FIAF CC(=O)C[C@H]1CCCC[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961618183 XTEBMTIJPVPTMJ-DNVCBOLYSA-N 362.311 4.492 0 1 FIAF CCc1ccc([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962656239 ABOUXBOICAGKIQ-DNQXCXABSA-N 374.484 4.159 0 1 FIAF C[C@]1(CN2CCCCCC2)c2ccsc2CCN1Cc1cccnc1 962997315 LMTPJNNLUJMDQG-NRFANRHFSA-N 355.551 4.293 0 1 FIAF Cc1cccc(Nc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1 1772604492 PXFOSQZOEWOWJE-UHFFFAOYSA-N 361.449 4.109 0 1 FIAF FC(F)(F)c1ccccc1C[C@]1(COc2cccnc2)CCCNC1 1857551801 GNMADJPFYRDSMM-GOSISDBHSA-N 350.384 4.092 0 1 FIAF COc1ccc2c(c1)[C@@H](Nc1ccc(Cl)cc1)CCc1nnc(C)n1-2 1857569588 SKJPKYVVUNMHLO-KRWDZBQOSA-N 354.841 4.337 0 1 FIAF CCC(C)(C)c1ccc(OCCCCN2CCN([C@@H]3CCCO3)CC2)cc1 1857634446 MUJWKKKSDIUXNJ-QFIPXVFZSA-N 374.569 4.287 0 1 FIAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)s1 1857641389 DRWIDCWXXLOIMG-LJQANCHMSA-N 374.469 4.052 0 1 FIAF Cc1cccc2c(-c3nc(N[C@H]4CCCNC4)ncc3CC(C)C)c[nH]c12 2382253312 ARJLWPHVYAWCJY-KRWDZBQOSA-N 363.509 4.296 0 1 FIAF CC1CCC2(CC1)CCN(CCCOC(=O)Nc1cccc(F)c1)C2=O 96019354 NMOFGDDYKGVJBN-UHFFFAOYSA-N 362.445 4.193 0 3 FIAF COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc2c1CC=C(C)C 1651169 RZVNDYZVNDJBPR-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF endogenous,in-man O=C(/C=C/c1ccc(-c2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1 36188100 VLUJJVBUACMVES-UXZSZYKQSA-N 360.501 4.454 0 1 FIAF Cc1cc(Cl)cc2c(=O)oc([C@@H]3CC(c4ccc(F)cc4)=NO3)nc12 84704550 OWCDIZLTWGEFQU-HNNXBMFYSA-N 358.756 4.155 0 1 FIAF O=c1oc(=O)n(Cc2ccccc2-c2ccccc2)c2ccc(Cl)cc12 95558355 DNBHVVHCKVLQSX-UHFFFAOYSA-N 363.800 4.323 0 1 FIAF COc1ccc([C@H]2COc3cc(OC)c(CC=C(C)C)cc3C2=O)c(O)c1 95911749 RDSJBMMQOCZNLR-GOSISDBHSA-N 368.429 4.277 0 1 FIAF biogenic,in-vitro Cc1ccc(Oc2ccc(CNC(=O)c3c(Cl)c(C)nn3C)cc2)cc1 98085037 SEZFODHNNGEEDP-UHFFFAOYSA-N 369.852 4.413 0 1 FIAF Cc1ccc([C@H](C)N2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)s1 101366411 YFSPDWGKSWOSRI-RMRDIRSESA-N 370.518 4.291 0 1 FIAF O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1)c1ccncc1 116815996 CJSSCSFJKBMVPA-UHFFFAOYSA-N 362.408 4.414 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)/C=C/[C@@H](C)C[C@H](O)/C=C(\C)C[C@H](O)[C@@H]12 238738959 YVXKBXZXMGSJNO-ZNRLFCTCSA-N 364.526 4.015 0 1 FIAF Clc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c(Cl)n1 587038619 AZEPJNIZCWOLBH-WCQYABFASA-N 365.289 4.211 0 1 FIAF Brc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587040887 IWDYKLAEMGMXMR-HZPDHXFCSA-N 374.307 4.272 0 1 FIAF CC[C@@H](C)n1ncc(I)c1-c1nc2ccccc2[nH]1 587181144 NOJFIHKKBGQRBM-SECBINFHSA-N 366.206 4.002 0 1 FIAF O=C(OCc1ccccc1)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)CC5 587211488 FPPFSRXNSGPKJE-IEBWSBKVSA-N 370.452 4.242 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2C[C@@H]1C 587371581 LAGOMTLHSQYANR-JEOXALJRSA-N 372.262 4.393 0 1 FIAF CCCCC[C@]1(CP(=O)(OC)OC)CC(=O)c2cc(C)cc(N)c2O1 587406311 BARMHYUEFHTQCO-GOSISDBHSA-N 369.398 4.347 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(C)cc1Br)[C@@H](C2)C3=O 587413716 PKRGOVQWFROUEZ-SCLBCKFNSA-N 359.219 4.255 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccccc1C)CC2=O 587485471 WTHSSNRUBAFQRU-JOCHJYFZSA-N 368.429 4.077 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cnc([C@@H]3CCCO3)s1)CC2=O 587494105 IEZUZAYJBYLRAP-HOTGVXAUSA-N 359.447 4.359 0 1 FIAF O=C1C[C@@]2(CCOc3cc(F)cc(F)c32)Oc2c1ccc1c2CCCC1 587507760 NZONSCTVYLCNFA-OAQYLSRUSA-N 356.368 4.487 0 1 FIAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587607005 GHUIETYJLLSRGG-SIKLNZKXSA-N 362.381 4.283 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCO2 587612472 UXMNKYCRINGHKG-DENIHFKCSA-N 360.365 4.030 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)ccc2F)N1 587725639 FSBDFODUGXACKO-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF CCC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587816344 WSVFFZDAPVVUOC-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF CCC[C@H](O)[C@]1(CCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587826044 JLGFCPHESSBDBL-WHCBVINPSA-N 358.295 4.279 0 1 FIAF CS(=O)(=O)Nc1ccc(-c2csc(CC3CCCCC3)n2)cc1 587923711 GZDRQUBKIHONEU-UHFFFAOYSA-N 350.509 4.304 0 1 FIAF COC(=O)c1cccc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c12 587933246 VZNVCRBAQBGSJC-UHFFFAOYSA-N 374.396 4.398 0 1 FIAF C[C@@H]1C[C@@H]([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)CCO1 962949877 DAQDYRBUERZDIN-QWQRMKEZSA-N 369.427 4.213 0 1 FIAF COc1ccc(C[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC 1857762534 FKCNDWIBHSUPEZ-QGZVFWFLSA-N 370.445 4.173 0 1 FIAF CCC=CCC=CC[C@@H](O)[C@@H](O)C=CC=CC=CCC=CCCC(=O)O 2356339878 ALWYOLKNLLFCAY-RTWAWAEBSA-N 360.494 4.491 0 1 FIAF CCCCC[C@@H]1C[C@]2(C[C@@H]1CO)C[C@@H]1[C@H]2[C@@H](O)C[C@@]2(C)CCC[C@@]1(O)C2 2356610310 XVHRUBGFWRGWRV-DKLSKLDLSA-N 364.570 4.284 0 1 FIAF CC=C(C)C(=O)O[C@@H]1c2occ(C)c2[C@]2(C)OC(=O)[C@@H]3CCC[C@@H]1[C@@]32C 2356681581 YVCVHGRNXPPDDG-XAHGZOFNSA-N 358.434 4.347 0 1 FIAF CN[C@@H]1[C@@H]2[C@H]([C@H](C)CCC=C(C)C)CC[C@](C)(NC)[C@H]2CC[C@@]1(C)O 2356838138 LQPCKHOVOWLRIL-FSCQIMEVSA-N 350.591 4.122 0 1 FIAF CCN(CC)Cc1ccc2nc3c(nc2c1)N1CCc2ccccc2[C@@H]1CN3 2382226211 SRVCWSQWAMPVQN-NRFANRHFSA-N 373.504 4.001 0 1 FIAF CC(C)(C)c1ccc(CNC(=S)NCc2ccc3nc[nH]c3c2)cc1 13672888 JREJFPOGBOCKQM-UHFFFAOYSA-N 352.507 4.025 0 1 FIAF CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 14410954 MVSNOMINTBGJOH-BWAGFHJFSA-N 372.461 4.220 0 1 FIAF biogenic O=C(O)c1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCSC1 28121461 TWIRIFJGISJKML-UHFFFAOYSA-N 371.845 4.471 0 1 FIAF CCCC[C@H](NC(=O)O[C@@H](C)CC1CCCCC1)C(=O)c1noc(C)n1 28348584 RVDYQVJQJGARBX-BBRMVZONSA-N 365.474 4.205 0 1 FIAF COc1cc(O)c2c(=O)cc(-c3cccc(C(F)(F)F)c3F)[nH]c2c1 28458111 BVPXBVDIUANMAX-UHFFFAOYSA-N 353.271 4.067 0 1 FIAF CC[C@@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 29473754 UMODTPQPINIWKV-WBLPJHHHSA-N 353.506 4.066 0 1 FIAF C[C@H]1CN2C[C@H](c3ccccc3)N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075257 KFASSAPEPBYWOW-RMVZNSSTSA-N 350.506 4.047 0 1 FIAF Cc1ccc([C@@H](O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1C 38345591 GSIKYEKAOCMNLO-NRFANRHFSA-N 371.440 4.027 0 1 FIAF Nc1cccc(Nc2ncnc3c2ncn3CCc2ccc(Cl)cc2)c1 40935555 WZBOVSIUMIRCHV-UHFFFAOYSA-N 364.840 4.048 0 1 FIAF O=C(c1ccccc1Oc1ccccc1)N(CC1CCC1)[C@H]1CCNC1 43010929 WQAXZHUMPQMMEW-SFHVURJKSA-N 350.462 4.083 0 1 FIAF CCOC(=O)c1cc(-c2cccc(OCc3cccc(OC)c3)c2)on1 45259954 BRECPQUYEKONAD-UHFFFAOYSA-N 353.374 4.106 0 1 FIAF CCCCCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 68600858 NLKFAKHIQMYIPZ-UHFFFAOYSA-N 361.463 4.143 0 1 FIAF biogenic COC(=O)[C@]1(C)CCCC2=C1CC[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O 95561442 CRSACJNXOSEYLN-GJBMWOIVSA-N 358.434 4.344 0 1 FIAF COc1ccccc1Nc1snc(O)c1C(=N)NCC1CCCCC1 101055172 ALESYQUIIKULGD-UHFFFAOYSA-N 360.483 4.096 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101197679 IWSCITFBDCQRGG-VCQAJPKLSA-N 350.499 4.479 0 1 FIAF O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@H]2CCNC2)cc1Cl 149975616 LPJMSXKDQBATGX-NSHDSACASA-N 351.237 4.109 0 1 FIAF CCCCC[C@H](C)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 169321478 PNOGMKSRLVDEII-NVRZHKMMSA-N 352.515 4.318 0 1 FIAF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC(=O)[C@H](C)F)ccc3CC[C@@H]12 473125529 QUCVTZNYLGBOIH-AUNMJURBSA-N 362.441 4.133 0 1 FIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)nncc4[nH]3)c21 587032199 ZRYJRGSTYIMJNU-JTQLQIEISA-N 351.435 4.018 0 1 FIAF COC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2n1 587145628 MGGGWCGAZCXFQH-UHFFFAOYSA-N 361.376 4.141 0 1 FIAF COc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Cl 587157324 SMOHFHYDHBWRJM-SFHVURJKSA-N 359.788 4.155 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)(c1nccn1C)CC2=O 587493393 GQIHVEHJSUEVLT-FQEVSTJZSA-N 368.458 4.049 0 1 FIAF COc1cccc2c1OCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587536552 VONMQIMBTTYTSS-QFIPXVFZSA-N 350.414 4.217 0 1 FIAF CC[C@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571564 QHMSRWBHZVLGBK-WIYYLYMNSA-N 365.360 4.193 0 1 FIAF CNc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581330 VXRSPKYDKDMFEM-KNQAVFIVSA-N 361.397 4.311 0 1 FIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1NC(=O)OC(C)(C)C 587623219 ONJURPLVFZYWCD-UHFFFAOYSA-N 365.231 4.462 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2sccc12 587663121 VSKJBEHZOSLHSJ-UHFFFAOYSA-N 374.400 4.197 0 1 FIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc1F 587739815 VWZSXDDWURBDRS-BJOHPYRUSA-N 353.210 4.054 0 1 FIAF CC/C(C)=C(/N)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587749188 NHXOLSQXJAAZDY-ZTMDNWNQSA-N 355.295 4.370 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3[nH]ncc23)N1 587798697 VLLIEHMUXVTYMK-XYZCENFISA-N 360.230 4.088 0 1 FIAF COC1(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 587812031 OWTHZPBKCOTSAC-BDJLRTHQSA-N 356.279 4.297 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2ccccc2)N1 587814672 IATPDABOPVQPFC-ADLMAVQZSA-N 362.242 4.221 0 1 FIAF Cc1c(F)ccc2c1[C@@H](c1ccc(-c3ccccc3C(=O)O)o1)NCC2 962149400 VUBQEWFVTKYINZ-HXUWFJFHSA-N 351.377 4.327 0 1 FIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](C2CCCCC2)N1 962928369 YGTAPQRPCLYWHB-LEWJYISDSA-N 367.445 4.405 0 1 FIAF CCCCNC[C@@]1(c2ccc(O)cc2)c2c(F)cccc2C[C@H]2CCCN21 963101884 MJSAQVYQXMISGE-AUSIDOKSSA-N 368.496 4.185 0 1 FIAF O=C(O)c1csc(-n2nc(-c3cccc(Cl)c3)cc2C(F)(F)F)n1 1772617651 FLAASRKRQHBVJR-UHFFFAOYSA-N 373.743 4.366 0 1 FIAF C[C@H]1C[C@@H](C)CN([C@@H](CCc2ccccc2)C(=O)NC2CCCCC2)C1 95600607 CVCXZAHQAPPXNX-JQVVWYNYSA-N 356.554 4.415 0 3 FIAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4055516 FIFQEWPXKVJWPW-DOTOQJQBSA-N 362.882 4.410 0 1 FIAF CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)NCn1cc(-c2ccccc2)nn1 17261359 IAPQUATXEHBRED-WDYCEAGBSA-N 356.470 4.090 0 1 FIAF Oc1ccc(Cc2ccc(O)c(Br)c2)cc1Br 28979765 SGQHSBDQMLESDM-UHFFFAOYSA-N 358.029 4.214 0 1 FIAF biogenic CC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1 29126858 FCJSXPHWIKTARV-UHFFFAOYSA-N 351.431 4.208 0 1 FIAF CCCc1c(F)c(=O)oc2c3c(c4c(c12)OCC(C)=C4)O[C@@H](C)CC3=O 29133020 LVTXSMSYOLRVID-JTQLQIEISA-N 358.365 4.034 0 1 FIAF CC(C)C1(N2CCC3(CC2)C(=O)NC[C@H]3c2ccc(F)cc2)CCCCC1 38147589 WLNNXDHLQGPCSS-FQEVSTJZSA-N 372.528 4.480 0 1 FIAF Nc1nccn2c(C3CCC3)nc(-c3ccc([C@H](O)c4ccccc4)cc3)c12 95585610 MHAAGGKKTADGMH-OAQYLSRUSA-N 370.456 4.328 0 1 FIAF COc1ccc2c(=O)c(/C=C/C(=O)Nc3cccc(Cl)c3)coc2c1 95586258 PRBZSZCOTRBFFC-VMPITWQZSA-N 355.777 4.107 0 1 FIAF Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1 103228701 FVTVZPSASHCSPZ-GMAHTHKFSA-N 359.469 4.471 0 1 FIAF CC(=O)Nc1cccc(-c2ccc(C[C@]3(C)SC(=O)[C@@H](C)C3=O)cc2)c1 169717817 NOCWMDVQQQCJGT-ZSEKCTLFSA-N 367.470 4.092 0 1 FIAF NC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1ccccc1 299864615 MQPGTJRZZDMRLV-UHFFFAOYSA-N 367.499 4.001 0 1 FIAF Fc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c(F)c1F 587077747 ZFNZNQFYKCQQOC-LBPRGKRZSA-N 351.715 4.251 0 1 FIAF CN(C)CCOc1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587150699 DUMJOSSSQFKAQM-GJZGRUSLSA-N 357.404 4.053 0 1 FIAF O=C(N[C@@H](c1ccccc1)c1nc2cc(F)cc(F)c2[nH]1)c1ccccc1 587220419 RYJGKZLXLFYZFX-SFHVURJKSA-N 363.367 4.361 0 1 FIAF NCc1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587245953 IGLRTHYLEKIRBD-UHFFFAOYSA-N 370.172 4.470 0 1 FIAF COC(=O)c1cc2nc([C@@H](N)C(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 587257815 OGWAKCCYAULNSJ-QGZVFWFLSA-N 370.428 4.278 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3cccc(Cl)c3)c1)O2 587378336 NQWDNVOZTSJLIH-HXUWFJFHSA-N 367.836 4.297 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(SC(=O)N(C)C)c1)O2 587409579 INYMCYHFUKEERK-QGZVFWFLSA-N 356.447 4.057 0 1 FIAF O=Cc1cc(F)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567862 FNBAVONVWMXSLW-MAUKXSAKSA-N 370.357 4.108 0 1 FIAF Cc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613428 XXRADZHSVHHDOU-NZQKXSOJSA-N 374.392 4.340 0 1 FIAF CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587631576 PFQRLSKGZYGQFF-UHFFFAOYSA-N 360.772 4.129 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N)c(Cl)c2)N1 587696523 PLOWPAQLIQFBFZ-VPTHRUTESA-N 369.665 4.447 0 1 FIAF Cc1ccnc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587772931 PSNVOFSDJKSWAI-XIKOKIGWSA-N 363.274 4.284 0 1 FIAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cc(O)cc(C(=O)O)c1 587925375 GSEHHEMSROEWFT-JEBQAFNWSA-N 373.449 4.426 0 1 FIAF COc1cc(O)cc(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)c1 587930444 CAUUKKMGFMBDOD-UHFFFAOYSA-N 352.781 4.006 0 1 FIAF O=C([C@@H]1Cc2ccccc2[C@](CC2CC2)(c2ccccc2)N1)C(F)(F)F 962732090 WPFPSMXLSJLYII-ICSRJNTNSA-N 359.391 4.376 0 1 FIAF Fc1cc(F)cc([C@]2(c3ccsc3)NCCc3nc4ccccn4c32)c1 962989453 QDWYWOJAHPNQIE-FQEVSTJZSA-N 367.424 4.112 0 1 FIAF CN(C)/C=C/[C@]1(C(C)(C)C)c2cccc(Br)c2CCN1C 963278880 CVXSQGIFBRJNDQ-IYPOZPNPSA-N 351.332 4.254 0 1 FIAF FC(F)(F)c1cccc(-c2nc3cc(N=c4cc[nH]cc4)ncc3[nH]2)c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c2cc3c(cc2O1)OC[C@@H]1c2cc4c(cc2O[C@H]31)OCO4 6201926 OYJSNPOSPVUTQQ-JLTOFOAXSA-N 350.370 4.209 0 1 FIAF biogenic CCCCc1ncc(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13823686 XEJLAWGJSRSYBY-UHFFFAOYSA-N 364.445 4.132 0 1 FIAF CCCCC[C@@H](O)CCCCC[C@H](Cc1cc(O)cc(O)c1)OC(C)=O 14772333 IYNSMFCFWBKXEB-WIYYLYMNSA-N 366.498 4.464 0 1 FIAF biogenic CNC1=Nc2ncccc2C(c2ccco2)=N[C@H]1c1sccc1Cl 40402625 KBJGWENMUZDLRV-AWEZNQCLSA-N 356.838 4.231 0 1 FIAF O=C1c2ccccc2N[C@@]2(C(F)(F)F)c3[nH]c4ccccc4c3CCN12 40405939 YWBZDWUIAQJHNQ-SFHVURJKSA-N 357.335 4.007 0 1 FIAF O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccccn1 40934352 XMTATJDEHBLQKL-UHFFFAOYSA-N 365.396 4.221 0 1 FIAF COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)cc1 53230040 NNAMXKXTCQOZGS-WQRHYEAKSA-N 374.400 4.160 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)NCC2CCCCC2)c(-c2ccco2)n1 82142197 UJBXFXOCULJCMX-AWEZNQCLSA-N 356.470 4.257 0 1 FIAF COc1ccc(-c2cc(NCc3ccc(C)cc3)ncn2)c(OC)c1OC 82160592 RNKGECMHRPDWOI-UHFFFAOYSA-N 365.433 4.090 0 1 FIAF CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(CO)s1 95585462 PXQKOVNESNVWQR-LJQANCHMSA-N 350.443 4.036 0 1 FIAF C[C@H]1CC(=O)N[C@@H](c2ccccc2)C/C=C\C[C@H](c2ccccc2)NC1=O 95664034 ZTKLQSZLDMQVGT-VZHQTYKDSA-N 362.473 4.078 0 1 FIAF Oc1ccc[n+]2c1[C@@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 100722113 CDYZVJGLXZQGLG-FPOVZHCZSA-O 356.401 4.290 0 1 FIAF COc1ccc(-c2nc3cc(-c4csc(C(=O)O)c4)cnc3[nH]2)cc1 103248100 PDMRUTWXKCFDFD-UHFFFAOYSA-N 351.387 4.060 0 1 FIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4)no2)cc1Cl 139527279 NVLKMKAPBOZFEE-UHFFFAOYSA-N 369.852 4.490 0 1 FIAF c1ccc(CCNc2ccc3ncc(-c4cc5ccccc5o4)n3n2)nc1 146173480 ZSRHNAGHFRMYJX-UHFFFAOYSA-N 355.401 4.192 0 1 FIAF Cc1nc(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)c(C)[nH]1 206737267 GILOUGCUJSULPO-UHFFFAOYSA-N 370.456 4.113 0 1 FIAF C/C=C(/C)C(=O)OC/C=C\c1cc(OC)c(OC(=O)/C(C)=C\C)cc1OC 238789099 GRVXDVYRXHDMFS-NGUAXFINSA-N 374.433 4.098 0 1 FIAF Nc1cc(Nc2nc(C(=O)O)nc3ccccc23)cc(Oc2ccccc2)c1 299829147 TYDGXLJZBMDVJU-UHFFFAOYSA-N 372.384 4.446 0 1 FIAF O=C(Nc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1)c1ccccc1 473148681 GYVPBDWEWNFIOZ-UHFFFAOYSA-N 357.369 4.362 0 1 FIAF CCc1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587044082 YTDDGHXNVXQCQD-INIZCTEOSA-N 357.866 4.434 0 1 FIAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(F)c(Br)c2[nH]1 587058564 GNMAGNLFUDQSIL-NSHDSACASA-N 368.637 4.360 0 1 FIAF O=C(O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074877 FAKMPBOIJBOSSE-QGZVFWFLSA-N 355.825 4.252 0 1 FIAF Cc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2n1 587081541 PTEGHQPZCVXISV-UHFFFAOYSA-N 360.808 4.296 0 1 FIAF N[C@@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F 587159090 ZKVLCQJNVFEDIY-ZBEGNZNMSA-N 353.294 4.201 0 1 FIAF O=C(OCc1ccccc1)N1CCCc2c(nc3cccc4c3c2CC4)C1 587212266 MRSGFOUIRHWIST-UHFFFAOYSA-N 358.441 4.418 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1C[C@H]1CCCO1)CC2=O 587471521 SONPKFUDWYXZQI-VLIAUNLRSA-N 355.434 4.032 0 1 FIAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CCC[C@H]1CC(C(=O)OC)C2 587477131 FDOBGENCGMFZQB-LRECYKSDSA-N 372.461 4.048 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3nnco3)cc1)CC2=O 587484434 PBGCOXRTSHUZBP-SFHVURJKSA-N 350.374 4.101 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(CCC(=O)O)oc1C)CC2=O 587485995 WJDKOMMEIKGVNE-NRFANRHFSA-N 372.417 4.144 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(Br)s1)CC2=O 587493283 DEXZFHVIEXBTIE-GFCCVEGCSA-N 368.252 4.270 0 1 FIAF C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566924 CDDMVXLKUIXWPF-GHTZIAJQSA-N 350.345 4.408 0 1 FIAF Cc1ccn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc2c1 587585618 FJZTZYWOVOKMBV-KNQAVFIVSA-N 372.380 4.051 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)ccc2F)N1 587725430 DLHWVAQBMVBYIK-KWKYVRJSSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)ccc2F)N1 587725637 FSBDFODUGXACKO-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccc3cc[nH]c23)N1 587803938 QCVZIUMRNUPNPE-XXFAHNHDSA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(s2)CCC3)N1 587860096 ZUFDATJASVAPLE-GLEZIHRCSA-N 367.287 4.157 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(F)cc1 587860650 BIGIAFAGUAXBQF-UHFFFAOYSA-N 364.298 4.405 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(C)ccc1C 587870595 MYWRECJVNPAZJM-UHFFFAOYSA-N 368.408 4.424 0 1 FIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587937886 QVOQBSMXSXSUFX-HWPZZCPQSA-N 350.340 4.427 0 1 FIAF C[C@H](Oc1ccc2ccccc2c1)c1nc2nc(Br)c[nH]c-2n1 587951501 MZFHUEZENCOXTJ-JTQLQIEISA-N 369.222 4.360 0 1 FIAF CC[C@@]1(c2c(F)cccc2F)NCCc2cc3cccc(OC)c3nc21 963050754 CXFQNFCDFLFVIP-NRFANRHFSA-N 354.400 4.321 0 1 FIAF C[C@]1(CC(=O)Nc2ccccc2F)c2c(F)cccc2C[C@H]2CCCN21 963105508 MRGTWYLHIPVWBJ-VFNWGFHPSA-N 356.416 4.229 0 1 FIAF COC(=O)Nc1noc2cc(-c3c(-c4ncccc4C)n[nH]c3C)ccc12 1772625393 MORJQDPEPQGOAF-UHFFFAOYSA-N 363.377 4.075 0 1 FIAF COc1ccc(-c2c[nH]c3nc(N)nc(OC(C)C)c23)cc1C(F)(F)F 1772650001 PAYWSDOFGQGEPR-UHFFFAOYSA-N 366.343 4.022 0 1 FIAF CCn1c(S)nnc1Cn1c(-c2ccc(Cl)cc2)nc2ccccc21 1857614331 ZYTAJLDUFPIWBO-UHFFFAOYSA-N 369.881 4.305 0 1 FIAF CCOC(=O)C(C)(C)Oc1cccc(CCCCCCCC(=O)O)c1 2356812721 BLLVLMYXVKOFGW-UHFFFAOYSA-N 350.455 4.375 0 1 FIAF CCCN(CCC)c1ccc([C@@H](O)c2nnc(-c3ccccc3)o2)cc1 2659908 BOGKBNUNSFVUEA-LJQANCHMSA-N 351.450 4.445 0 3 FIAF C[C@H]1[C@@H](NC(=O)c2ccc(Cl)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205709307 BXCHXAHDCNQBMF-BBTHKVSRSA-N 374.912 4.030 0 3 FIAF Cc1cc2c(cc1Cl)S[C@H](c1ccccc1)C(O)=NS2(=O)=O 1865124 GLNLCEMMUGOFJC-CQSZACIVSA-N 353.852 4.141 0 1 FIAF O=CNCc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 8536480 PKCDURKUHJWGQJ-UHFFFAOYSA-N 372.403 4.191 0 1 FIAF CC(=O)Nc1cc(Cl)cc(Cl)c1Oc1ccccc1CC(=O)O 26397964 RHVBOCVEJGNOGV-UHFFFAOYSA-N 354.189 4.371 0 1 FIAF O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1 28571703 DHXAAEUVXXASMB-UHFFFAOYSA-N 369.530 4.222 0 1 FIAF Cc1cc(Nc2ccc(SCC(=O)O)cc2)c2c(ccc3c[nH]nc32)n1 28770108 WCESMIHSGHUEES-UHFFFAOYSA-N 364.430 4.340 0 1 FIAF CCN1CC[C@@H](CN(Cc2ccccc2)Cc2cc(F)cc(F)c2)OC1=O 40764068 QUMQBOPOMOCCQI-FQEVSTJZSA-N 374.431 4.198 0 1 FIAF Cc1cc(N2CCCC2=O)c2ncc(CSCCc3ccccc3)n2c1 40847876 LMVUUESFAPIFQZ-UHFFFAOYSA-N 365.502 4.245 0 1 FIAF O=C(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1nc(-c2cccc(F)c2)no1 71334479 YUGKHLDIYRMTTA-MRXNPFEDSA-N 373.334 4.131 0 1 FIAF O=C1c2ccccc2-c2ncc(OCCN3CCCCC3)c3cccc1c23 71342048 HODFYJBDWOPUQK-UHFFFAOYSA-N 358.441 4.311 0 1 FIAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)[nH]n1 72123146 CZYXWJKMIUVPFX-UHFFFAOYSA-N 369.808 4.159 0 1 FIAF O=c1c2sccc2nc(SCc2cccnc2)n1-c1ccc(F)cc1 82158501 VUVASUTWWXMHQO-UHFFFAOYSA-N 369.446 4.274 0 1 FIAF Cc1n[nH]c(=O)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1 84587494 GLDHZSQKMXSPBB-UHFFFAOYSA-N 350.727 4.483 0 1 FIAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2nn[nH]c12 84615499 LMDRMWZHKCPCPA-UHFFFAOYSA-N 355.707 4.274 0 1 FIAF C[C@H]1OCc2sc(NC(=O)CC(C)(C)C)c(C(=O)N3CCCCC3)c21 95563990 RGIAIURWTAWFCO-GFCCVEGCSA-N 364.511 4.340 0 1 FIAF C[C@@H]1CC(=O)N[C@@H](c2ccccc2)C/C=C\C[C@H](c2ccccc2)NC1=O 95662951 ZTKLQSZLDMQVGT-PNORSGSUSA-N 362.473 4.078 0 1 FIAF O=C(Nc1ccc(Cl)cc1)c1c(NO)cc(-c2ccccc2)oc1=O 103238581 DUVJQRRRRQYPLZ-UHFFFAOYSA-N 356.765 4.014 0 1 FIAF CC(=O)OC/C(C)=C/Cc1cc(/C=C/C(=O)O)cc(CC=C(C)C)c1O 238747266 LEMIBGJUUNCMCQ-VRYGHZKGSA-N 358.434 4.051 0 1 FIAF CCCC1(c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)CCC1 586877488 BBDBHCRNQBKYRH-UHFFFAOYSA-N 351.244 4.334 0 1 FIAF Cc1cc(Br)cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 587088143 JKMHWFUIIDSMPZ-SNVBAGLBSA-N 356.214 4.384 0 1 FIAF Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C(=O)O 587104794 JELBAEPBFZDCLA-UHFFFAOYSA-N 354.365 4.150 0 1 FIAF CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@H]1C 587106715 NNJMWBUMIYQZES-DYVFJYSZSA-N 371.436 4.360 0 1 FIAF NC(=O)Nc1cccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587241371 BJXOJVFCXUVTNF-UHFFFAOYSA-N 370.718 4.273 0 1 FIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)c1 587380103 ALRXEDORRHRADG-MRXNPFEDSA-N 351.324 4.311 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)cc1OC(F)F)O2 587382907 PQPOCFVBIBYHJF-GOSISDBHSA-N 351.324 4.198 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(F)cc2F)N1 587725557 DVUFTXWZKKFIAL-ZKANADHPSA-N 371.200 4.059 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c[nH]nc23)N1 587799052 VZTIOEKQHBYLOC-XYZCENFISA-N 360.230 4.088 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3cc[nH]c3c2)N1 587806944 WTGFEJDIGTYSAP-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF COc1ccc(CCCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1OC 587925667 GHSHPEVIENTRMT-UHFFFAOYSA-N 366.248 4.457 0 1 FIAF C[C@@]1(COc2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693484 CMKHCOAMLHQRHH-IIBYNOLFSA-N 357.494 4.484 0 1 FIAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1ccc(N2CCCC2)o1 962697802 GQWYGPGESHHFQF-BTYIYWSLSA-N 372.509 4.472 0 1 FIAF CC(C)c1nn(C)c2c1[C@@](c1cccc(F)c1)(c1ccccc1F)NCC2 962915210 URIAJDPGRPULEZ-JOCHJYFZSA-N 367.443 4.259 0 1 FIAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963103677 LWDGLOBNCZBZNE-JLMWRMLUSA-N 359.485 4.431 0 1 FIAF CC(=O)O[C@@H]1O[C@H]2OC(=O)[C@H](C)[C@H]3C([C@@]4(C)CCCC(C)(C)C4)=CC=C1[C@H]23 1911583958 OSZJDRRCNZELDT-WVNCCVEQSA-N 374.477 4.130 0 1 FIAF Cc1cnc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)c(N)c2c1 2382228538 HRIFNAOXKCAZKD-UHFFFAOYSA-N 351.353 4.458 0 1 FIAF Cc1ccc(NC(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)cc1 206045268 CKDCZNTWIWWSQS-PGVBMLAISA-N 369.509 4.076 0 3 FIAF OCc1ccccc1[C@@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708216 CTRHVTATDSKVGA-XMMPIXPASA-N 373.496 4.252 0 1 FIAF COc1ccc(Cl)cc1Cn1c(=O)[nH]c2cc(C(F)(F)F)ccc21 29401655 OUJQZSIEBYNVJF-UHFFFAOYSA-N 356.731 4.059 0 1 FIAF CC(C)CN(C)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1 82136286 REARCZWGOHSQTL-UHFFFAOYSA-N 370.472 4.365 0 1 FIAF Nc1nccn2c(-c3cn[nH]c3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168206 FWFRFAZPUJISES-UHFFFAOYSA-N 368.400 4.161 0 1 FIAF CCS(=O)(=O)c1cccc(-c2nc3cccnc3n2C2CCCCC2)c1 299823758 UIFVCYHFOLWHOF-UHFFFAOYSA-N 369.490 4.397 0 1 FIAF C[C@@H]1CCc2sc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cc2C1 587034651 WVJLSMCABBXARP-CQSZACIVSA-N 367.518 4.248 0 1 FIAF Oc1c(Br)ccc2nc(CNc3ccccc3Cl)[nH]c12 587060632 QKPPNJGPCLZQFK-UHFFFAOYSA-N 352.619 4.297 0 1 FIAF O=c1c(-c2nc3ccc(Cl)nc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171907 VDRDDUUAZMMGLV-UHFFFAOYSA-N 372.762 4.206 0 1 FIAF Cc1ccc(CCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1N 587250926 SJHHOHVDRTXKMW-UHFFFAOYSA-N 355.441 4.470 0 1 FIAF Cc1oncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346317 LVVPLHJSJQTWIG-UYAOXDASSA-N 353.349 4.102 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc3ccccc3n1C(F)F)O2 587381969 JLQLEBQHWYJUGG-IBGZPJMESA-N 357.360 4.203 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(C(F)(F)F)cc1Cl)O2 587383706 VCLCUKYZDMLVLO-ZDUSSCGKSA-N 356.731 4.351 0 1 FIAF COc1cc2c3c(c1)O[C@@](CCc1cccc(N)c1)(C(C)C)[C@@H](C2)C3=O 587432381 LBGNPQRNCWTOBC-AVRDEDQJSA-N 351.446 4.052 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(C(F)F)c1 587556171 NTRXRHUHRHMPNG-LPHOPBHVSA-N 369.323 4.428 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(O)c(F)c1 587559841 ZRYNVJRSZLPWEU-OXJNMPFZSA-N 370.307 4.079 0 1 FIAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1O 587605534 AVEVQDMNTQRGPA-UGKGYDQZSA-N 362.381 4.283 0 1 FIAF C[C@H]1CCCCN1C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587761215 OMLFUMMPTPKDGQ-FHSNZYRGSA-N 369.322 4.212 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3ccccc23)N1 587792272 HRKCYFAYGBXMIM-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF CCOC[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587804660 DYAJFWAAAIZANL-BNLOLNQZSA-N 356.279 4.154 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cncc(Cl)n1 587861716 XNPMJVOGLVCFQI-UHFFFAOYSA-N 354.719 4.010 0 1 FIAF CC1=C(c2ccc3nc(CC4CCC(C)(C)CC4)[nH]c3c2)NNC(=O)C1 587960570 KTTZYEIGOAZKTI-UHFFFAOYSA-N 352.482 4.077 0 1 FIAF CC/C(=C\c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)c1ccc(C)cc1 587968473 TWXUQPQQSCDCLQ-NTCAYCPXSA-N 369.490 4.072 0 1 FIAF O=C(O)CCCSc1nnc(-c2ccc(C(F)(F)F)cc2Cl)o1 1857550480 RITYGMZELNDNTA-UHFFFAOYSA-N 366.748 4.366 0 1 FIAF Fc1ccc(N2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 1857649829 JQMIUVZDGJPODV-UHFFFAOYSA-N 350.437 4.180 0 1 FIAF Cc1c(C(=O)O)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1 1491445 SYMVHZJZHSMHKZ-UHFFFAOYSA-N 353.325 4.021 0 1 FIAF OCc1cccc2c1[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 27179676 JADWDHBWTZLECN-GMAHTHKFSA-N 370.428 4.077 0 1 FIAF C[C@H](CN1CC[C@@]2(C)C[C@@H]1Cc1c(O)cccc12)OCc1ccccc1 27207130 OQHMIQWXKSUMDL-FHJLPGHOSA-N 351.490 4.276 0 1 FIAF CC[C@H](Oc1ccc(CC(=O)Nc2cc(C)cc(Cl)c2)cc1)C(=O)O 27524961 FMKUWRHBFCVKLB-KRWDZBQOSA-N 361.825 4.072 0 1 FIAF CO[C@@]1(C)CC[C@H]2[C@H](C)CC[C@H]3[C@@H](C)C(=O)N(CC(C)(C)C)[C@H](O1)[C@H]23 27558783 CGSGTVOLHMBNGV-CNXIIMJESA-N 351.531 4.288 0 1 FIAF CC(=O)Nc1cc(C)n(Cc2cc(Cl)ccc2OCc2ccccc2)n1 29042781 LEQUKKICQBOIPT-UHFFFAOYSA-N 369.852 4.431 0 1 FIAF C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)c(F)c(CC)c4c2O1)C(=O)C[C@@H](C)O3 29133591 BJWLKEGIGATMPF-MRUFAENASA-N 370.376 4.199 0 1 FIAF CCc1ccc(Cc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1 34505005 AWGZHZHJCKYUID-UHFFFAOYSA-N 355.441 4.482 0 1 FIAF COc1cc(OC)nc(Oc2ccc(C)cc2C(=O)c2ccc(C)cc2)n1 40917861 IEBFUVHCIRXOHE-UHFFFAOYSA-N 364.401 4.134 0 1 FIAF O=C(O)C1CN(Cc2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C1 63539450 VETBKPDTHQZBKH-UHFFFAOYSA-N 363.379 4.007 0 1 FIAF CC[C@H](C)NC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccccc1 82133236 RCXLWXGWHAEBQV-AWEZNQCLSA-N 364.449 4.185 0 1 FIAF CC1CCC(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)CC1 95576696 PEHGPAJGHGCKOS-UHFFFAOYSA-N 359.857 4.142 0 1 FIAF Cc1ccc2c(c1)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]1N2C 169331681 ITSNRBHKRKVFFB-IFMALSPDSA-N 366.480 4.405 0 1 FIAF CC(C)CCSc1cc(C(=O)O)cc(NC=O)c1C(=O)c1ccccc1 169343312 FZAFAEGAODQWMS-UHFFFAOYSA-N 371.458 4.322 0 1 FIAF OCc1ccccc1-c1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 586895364 XZUGREULHSWZED-UHFFFAOYSA-N 358.397 4.160 0 1 FIAF [O-][n+]1ccccc1SCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586969053 GCXCKZQMCDVHAV-UHFFFAOYSA-N 359.760 4.161 0 1 FIAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587010818 CUPGLHNEKHYMQT-UHFFFAOYSA-N 374.469 4.470 0 1 FIAF NC(=O)c1cccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587015685 HPOIHMMYLJNLRO-UHFFFAOYSA-N 354.822 4.106 0 1 FIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587049187 PXGAYPCSURLRFZ-UHFFFAOYSA-N 357.797 4.207 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc(COC(F)(F)F)[nH]c3c2)cc1 587125168 QSOPVVHKCLLRCV-UHFFFAOYSA-N 366.295 4.178 0 1 FIAF OCc1ccc(F)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587140840 SDRLKQYHEMFLHI-UHFFFAOYSA-N 360.694 4.413 0 1 FIAF Fc1cc(Br)ccc1-c1nc2cc(Br)ncc2[nH]1 587143002 RXNVZRXUKDCUIH-UHFFFAOYSA-N 371.007 4.289 0 1 FIAF COC(=O)c1ccc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2c1 587165992 KHFVKTUFDLBKPZ-UHFFFAOYSA-N 363.392 4.470 0 1 FIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)c(Cl)nc2[nH]1 587174265 IKCVEPLEHKQVMA-LLVKDONJSA-N 364.211 4.128 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cnc3ccccc3c2[nH]1 587232728 ADLLOXAXHICUKE-DZGCQCFKSA-N 352.438 4.272 0 1 FIAF CCOC(=O)c1c(Cl)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587377363 WTNKZCIBLYJGHT-INIZCTEOSA-N 359.809 4.114 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@H](C)c3ccccc3)CC1)O2 587396252 RDHZWTDBSQBQPU-MRXNPFEDSA-N 350.462 4.138 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1C)[C@@H](C2)C3=O 587412666 JQUOFLLCAAFGNE-KBXCAEBGSA-N 359.219 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cccnc1-c1ccc(F)cc1)[C@@H](C2)C3=O 587427083 GSNZXAYWBUOHQC-HTAPYJJXSA-N 361.372 4.385 0 1 FIAF COc1cc(OC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587526160 RVBXQBNIZIDGTB-HXUWFJFHSA-N 368.429 4.298 0 1 FIAF O=Cc1cc(F)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567864 FNBAVONVWMXSLW-QAPCUYQASA-N 370.357 4.108 0 1 FIAF CCOC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598461 AZQFEZJJJNIZQA-TUVDCLKLSA-N 354.402 4.072 0 1 FIAF C[C@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612049 TWNJCYLBIWTGRE-NZQKXSOJSA-N 374.392 4.204 0 1 FIAF O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O 587651929 RYFRXUYREQOJLN-HOCLYGCPSA-N 359.212 4.147 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(F)cccc32)N1 587740558 YKADIZXQBKPJGJ-MLCYQJTMSA-N 364.233 4.451 0 1 FIAF CCCn1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587752764 FSJQESNVSDFEIG-PIGZYNQJSA-N 351.263 4.423 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccccn2)N1 587772035 MYDYIPRSTHSCQB-OEVGOFAVSA-N 361.258 4.446 0 1 FIAF COCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587801520 LHASZCTYYPUTNX-ZMZPIMSZSA-N 364.258 4.358 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc[nH]c3nccc2-3)N1 587801976 JGOLMLJWQRSOOE-MLCYQJTMSA-N 374.257 4.214 0 1 FIAF Cc1cnc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587802374 LVXHCKTUMWRJLX-QGHHPUGFSA-N 374.257 4.397 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1SC 587872548 MVVIEPRHRGUPAJ-UHFFFAOYSA-N 356.422 4.498 0 1 FIAF COc1ccc(Cc2nc3ccc(Br)c(F)c3[nH]2)cc1OC 587927949 ZJOPYCKOQXQRRM-UHFFFAOYSA-N 365.202 4.073 0 1 FIAF Cn1cc(-c2ccc3c(c2)C(=O)c2c-3[nH]c3cc(-c4cn[nH]c4)ccc23)cn1 653875544 SWRODZITTZWMBH-UHFFFAOYSA-N 365.396 4.170 0 1 FIAF C[C@]1(c2ccc(CC(=O)O)s2)NCCc2cccc(-c3ccccc3)c21 962662814 GDAIIYGQXLPAKT-JOCHJYFZSA-N 363.482 4.451 0 1 FIAF Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)NCCc2cc(-c3ccccc3)ccc21 962672878 UDNCOWYHEADIGY-XMMPIXPASA-N 372.468 4.414 0 1 FIAF Cc1cccc2cc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)[nH]c12 962730703 PDEKZIBXTLABEZ-AEFFLSMTSA-N 358.363 4.211 0 1 FIAF COc1ccc(CC[C@]2(C)NCCc3c(OC)ccc(Cl)c32)cc1O 963257063 GMWFLVBFNPXWBA-FQEVSTJZSA-N 361.869 4.057 0 1 FIAF O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(O)c1 1857584402 FIYFCZJQDWQCTF-UHFFFAOYSA-N 366.398 4.001 0 1 FIAF CC(C)c1nc(-c2ncn3c2CN=C(c2ccccc2)c2ccccc2-3)no1 26392187 QHAUQVXKSXVKBP-UHFFFAOYSA-N 369.428 4.397 0 1 FIAF COCOc1cccc2c1[C@@H]1OC(=O)O[C@]13CCC(C)=C(COC2)C3(C)C 28520808 QDIIBMYYMZNMOL-GHTZIAJQSA-N 374.433 4.283 0 1 FIAF CCN(CC)CC(=O)c1c(C)c(C(=O)c2ccc(Cl)cc2)n(C)c1C 29332234 NDXFFHVUSYMCOZ-UHFFFAOYSA-N 360.885 4.051 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 29338481 IWSCITFBDCQRGG-BAGRYUITSA-N 350.499 4.479 0 1 FIAF COc1ccc([C@@H]2[C@@H](C)C(=O)[C@H](C)[C@H](c3ccc(OC)cc3)N2N=O)cc1 34175871 KYFMXVBBZSFPFK-FQZPYLGXSA-N 368.433 4.325 0 1 FIAF CSc1ccccc1CN1CCc2nc(N3CCCCC3)sc2C1 45392907 ROPRAFROBRTIMG-UHFFFAOYSA-N 359.564 4.414 0 1 FIAF FC(F)(F)c1ccc2ccn(CCN3CCCN4CCCC[C@H]4C3)c2c1 58668435 NQTQBHKGMLJHTR-SFHVURJKSA-N 365.443 4.220 0 1 FIAF CC[C@H](C)CN1C[C@H]2[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)CC[C@H]2C1 66148891 XNSDAFDBNJBZTP-UHIXZJCNSA-N 369.336 4.480 0 1 FIAF Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccc(F)cc2)oc1C 82164427 KFSMNSJROYXUCL-INIZCTEOSA-N 368.412 4.145 0 1 FIAF CCN1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 95556230 LTFSOCZYZQFAPE-JVFGBDHYSA-N 357.494 4.171 0 1 FIAF Fc1cccc(F)c1[C@H]1CC[C@H](N2CCN(c3ccccn3)CC2)CC1 100085753 UETLUCBWJPUFQM-CALCHBBNSA-N 357.448 4.208 0 1 FIAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)cc1 100704654 TXIPZVIFMOHDDO-CQSZACIVSA-N 369.446 4.127 0 1 FIAF COc1cccc(-n2c(C)cn(C(=O)c3ccccc3OC)c2=S)c1 103285364 OZJFWJWJZOYFOE-UHFFFAOYSA-N 354.431 4.022 0 1 FIAF Cc1ccccc1CCN1CCCC[C@]12CCc1cc(C#N)ccc1C2=O 207874142 LSQJLQZSJWMISS-XMMPIXPASA-N 358.485 4.463 0 1 FIAF COc1cc(/C=C\c2cc(C)cc(OC)c2OC(C)=O)ccc1OC(C)=O 238735004 OWPXZEXSHFEKJO-VURMDHGXSA-N 370.401 4.033 0 1 FIAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cc(Cl)cc(Cl)c1 253699375 ILHUURNQKXQSLQ-GJOPMFJBSA-N 352.261 4.033 0 1 FIAF O=C1Cc2ccccc2N1CC/C=C/CCN1CC[C@H]2CCCC[C@@H]2C1 299832762 STLOWRIFEMHPHS-QTNQTPCRSA-N 352.522 4.424 0 1 FIAF O=c1ccc2cc(-c3nc4c(Br)c(F)ccc4[nH]3)ccc2o1 586918684 QNQCUPKGNNBRGQ-UHFFFAOYSA-N 359.154 4.238 0 1 FIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(C)cc2[nH]1 586985163 RQIJCOIMALKICZ-KRWDZBQOSA-N 372.266 4.054 0 1 FIAF Clc1ccnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 587018220 YRDWVWZPSKWXNQ-UHFFFAOYSA-N 354.822 4.337 0 1 FIAF Cc1ccc(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)cc1F 587146394 KMJLZLYGTAVYPT-PLNGDYQASA-N 350.166 4.477 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccccn1)[C@@H](C2)C3=O 587435776 KFHUOJWQBAXLBF-MBSDFSHPSA-N 357.409 4.090 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cn(CC)nc1C(F)(F)F)CC2=O 587464646 VHFWQGAIVIFUFC-HNNXBMFYSA-N 368.355 4.286 0 1 FIAF CC(C)c1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587587716 PONGBRPZLAAKRH-FXAWDEMLSA-N 362.385 4.009 0 1 FIAF C[C@@]1(c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600642 BOYHFEPBCIDROK-KNQAVFIVSA-N 360.365 4.082 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccncc23)N1 587800594 BUQLHASQVAXXPG-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF Cc1cnc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587802314 KZFFVJKYCUKUCD-QGHHPUGFSA-N 374.257 4.397 0 1 FIAF CCOc1cccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)c1 653665772 PFNJTIQBTZNTQJ-UHFFFAOYSA-N 359.385 4.191 0 1 FIAF Cn1c(C(=O)Nc2ccccc2OCc2ccncc2)cc2sccc21 1772577630 IUQYROGIHBXLIJ-UHFFFAOYSA-N 363.442 4.466 0 1 FIAF O=C(NCc1ccccc1)N1CCN(Cc2ccccc2)c2ccccc2C1 1772640242 GYZMZXNNALBNTL-UHFFFAOYSA-N 371.484 4.419 0 1 FIAF COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccccc2OC)cc1 1857656874 VWFGRLAGINFPHX-UHFFFAOYSA-N 373.408 4.100 0 1 FIAF NC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1cc(Cl)ccc1N 3654290 ZTEYJAPWISRHBI-UHFFFAOYSA-N 352.246 4.307 0 1 FIAF COc1ccc(Nc2nc(N)nc(OCC3CCCCC3)c2N=O)cc1 13487065 VAWNEAWGVRMLFP-UHFFFAOYSA-N 357.414 4.168 0 1 FIAF COc1ccc(Cl)cc1-c1cc(Cl)cc2c1N1CCNCC[C@@H]1C2 13535542 USHJYIMZTIQJAK-OAHLLOKOSA-N 363.288 4.393 0 1 FIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cl)nc1C(F)(F)F 13555195 CSVCHLRIJQWBBH-UHFFFAOYSA-N 369.652 4.420 0 1 FIAF CCCC(=O)c1c2c(c(O)c3c([C@H](O)CC)cc(=O)oc13)C=CC(C)(C)O2 14765961 GMJLNBCEVMSTTL-CYBMUJFWSA-N 372.417 4.109 0 1 FIAF biogenic CCOC(=O)[C@@H]1Cc2c(sc3ccccc23)CN1C(=O)c1ccccc1 26832471 UOCMRVVPXMPAEO-KRWDZBQOSA-N 365.454 4.032 0 1 FIAF O=[S@@](CC(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28220163 KQJRXLXRLYSYTL-XMMPIXPASA-N 350.365 4.414 0 1 FIAF O=C(Oc1cccnc1)c1ccccc1Nc1ccnc(C(F)(F)F)c1 28392110 ODJBYXFDCRGEQH-UHFFFAOYSA-N 359.307 4.458 0 1 FIAF N[C@@H]1CCN(Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)C1 45168589 UUBYDAMQRANIIK-OAQYLSRUSA-N 368.484 4.430 0 1 FIAF CC(=O)C[C@@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 53294231 IRJBGBHTINPQGQ-GOSISDBHSA-N 355.503 4.160 0 1 FIAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccnc2)C2=C(O)CCCC2=N1 104003971 FQRBNHIPSYYIEE-FQEVSTJZSA-N 374.444 4.232 0 1 FIAF Fc1ccc2c(c1)C[C@H](CCN1CCN(c3ccc(Cl)cc3)CC1)C2 169350275 XASUAOWUPBWGMW-MRXNPFEDSA-N 358.888 4.406 0 1 FIAF O=C1c2ccccc2-c2cc(-c3ccc(O)cc3O)nc3ccc(O)c1c23 586990652 HQKCFUASLDLVQD-UHFFFAOYSA-N 355.349 4.230 0 1 FIAF Fc1cnc(Br)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c12 587084963 VPXBGEGJPNBGNH-UHFFFAOYSA-N 361.989 4.228 0 1 FIAF Cc1ccc2c3c(c4c(nc13)-c1[nH]c(=N)sc1CC4)-c1ccccc1C2=O 587102742 XHUUFGHSXVHBAD-UHFFFAOYSA-N 369.449 4.389 0 1 FIAF CC[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 587393021 FOVCKQJKDQVGRW-SPLOXXLWSA-N 374.481 4.091 0 1 FIAF CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)ccc21 587499465 JLWIKXUFLKUTQF-OAQYLSRUSA-N 367.832 4.056 0 1 FIAF CSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1 587534452 ZHIXCWIZUZYZNV-OAHLLOKOSA-N 360.866 4.437 0 1 FIAF Cc1nc2ccccn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585161 BNCKOZKQBDLDKF-AVRDEDQJSA-N 372.380 4.051 0 1 FIAF COc1cc(F)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587727074 AAQXNLZPBQSFOC-XYZCENFISA-N 368.221 4.360 0 1 FIAF CC(C)Cn1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587756291 CYRVKMYUQFRRSL-DIFFPNOSSA-N 366.278 4.064 0 1 FIAF Cc1ccc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587775105 ZBQXGMPFFWQJFR-KPZWWZAWSA-N 363.274 4.500 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ncccc23)N1 587801647 HQBCZXLHVWRHFV-MGNBDDOMSA-N 374.257 4.262 0 1 FIAF Cc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CCC3)cc1 1772638426 SLGXPSOSABDPCP-UHFFFAOYSA-N 368.380 4.298 0 1 FIAF CCOc1cccc(Nc2cc(NC(=O)c3ccc(F)cc3)ncn2)c1 1857771742 COBJPYBMCIKVHF-UHFFFAOYSA-N 352.369 4.010 0 1 FIAF CCC=CCC=CCC=CCCCCCCCC(=O)OC[C@@H](O)CO 2356399749 GGJRAQULURVTAJ-FQEVSTJZSA-N 352.515 4.472 0 1 FIAF CC(=CC(=O)O)CC[C@@H]1[C@H](C(C)(C)O)CC[C@@]1(C)CC=C(C)C(=O)O 2356452262 KPQXJVQFJZUGRC-JXXFODFXSA-N 352.471 4.022 0 1 FIAF O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1F 1006586 YZNXZEKSJRHHTR-UHFFFAOYSA-N 352.340 4.469 0 3 FIAF C[C@@]1(C(=O)Nc2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 61898201 GVTFPKCNFUYUHJ-FQEVSTJZSA-N 368.864 4.001 0 3 FIAF C[C@@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2ccco2)nc2ccccc21 95566571 FWFPEWOIFMONTB-ZDUSSCGKSA-N 356.385 4.142 0 3 FIAF CCCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCC[C@@H]3[C@@H]2C1=O 5882663 GGXWBZNRHZUBAJ-WXRFYESLSA-N 350.462 4.324 0 1 FIAF CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N(C)c1ccccc1 13533138 AKOLSQVNOPLCPO-UHFFFAOYSA-N 358.854 4.425 0 1 FIAF COc1ccc(Cl)cc1-c1cc(Cl)cc2c1N1CCNCC[C@H]1C2 13535537 USHJYIMZTIQJAK-HNNXBMFYSA-N 363.288 4.393 0 1 FIAF Cc1cccc2c1c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21 13560017 YBDWNOIXXLVZJU-UHFFFAOYSA-N 367.412 4.227 0 1 FIAF COc1ccc2c(c1)O[C@H]1c3c(cc4c(c3OC)C=CC(C)(C)O4)OC[C@@H]21 14613203 NURXAZUGLCCIRI-YCRPNKLZSA-N 366.413 4.498 0 1 FIAF biogenic CCC(=O)[C@@H](c1ccccc1O)C1CCN(CCc2ccccc2)CC1 27869638 BPBLDURNMSLMQD-HSZRJFAPSA-N 351.490 4.410 0 1 FIAF COc1ccc([C@H](NC(C)C)[C@@H](NC(C)C)c2ccc(OC)cc2)cc1 27891381 RTCCSHQGDXNQSQ-VXKWHMMOSA-N 356.510 4.482 0 1 FIAF CCCCC[C@@H](O)[C@H](/C=C/[C@@H](CCCCCCCC(=O)O)OC)OC 33820472 NMFUHXXKMLKRGE-KLICOSGESA-N 358.519 4.329 0 1 FIAF C[C@@H](CCc1ccccc1)NC[C@H](O)c1ccc2c3c(cccc13)C(=O)N2C 45186543 FZTRHZDEGJYIIM-AOMKIAJQSA-N 374.484 4.074 0 1 FIAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NCCc1cc2cc(O)ccc2[nH]1 49088038 LYSKZSZXKTWRSM-HEFCMCLBSA-N 357.498 4.176 0 1 FIAF O=C1c2ccccc2[C@](O)(c2ccc3[nH]ccc3c2)N1Cc1ccccc1 59203441 IZUVPXWXVOJERV-HSZRJFAPSA-N 354.409 4.017 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCSCC(=O)O 59529864 HXKXLQBESTZVLE-MCFZSSJYSA-N 356.528 4.067 0 1 FIAF CO[C@@H]1CCCN(C2CCN(c3cccc(-c4csc(C)n4)c3)CC2)C1 63871752 NECMMYGAQPLCBZ-HXUWFJFHSA-N 371.550 4.198 0 1 FIAF O=C1OCC(Nc2cccc(Cl)c2)=C1c1ccc(Br)cc1 72117133 UFDDMUUDAVWSKH-UHFFFAOYSA-N 364.626 4.483 0 1 FIAF CC[C@@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F 82152580 TUAHMJXERAUWGL-OAHLLOKOSA-N 370.472 4.047 0 1 FIAF CCC(CC)c1nc2c(NCC3CC3)ncnc2n1CCc1ccccn1 82185528 HIVKFHHERXZDAS-UHFFFAOYSA-N 364.497 4.190 0 1 FIAF COCCn1c(-c2cccs2)nc2c(NC3CCCCCC3)ncnc21 82190151 LYRVRDNLVDFEGT-UHFFFAOYSA-N 371.510 4.336 0 1 FIAF Cc1nc(-c2cccnc2)sc1C1=NN[C@@H](c2ccc(F)cc2F)C1 95586156 HGTWMYFIUHVDTB-OAHLLOKOSA-N 356.401 4.230 0 1 FIAF CCc1ccc(/C=C2/C(=O)O[C@H]3[C@H]2CCC(C)=C2CC[C@@](C)(O)[C@@H]23)cc1 96939260 ISHOKLRHTPYDPN-PQLLTXAHSA-N 352.474 4.445 0 1 FIAF Fc1cccc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccccc3)cc2)c1 100101827 IUEROJDQOBGUFP-BKFWDETESA-N 358.460 4.433 0 1 FIAF O=c1c2cnc3c(OCc4ccccc4)cccc3c2[nH]n1-c1ccccc1 137821352 KHEPLBRUZBXPOH-UHFFFAOYSA-N 367.408 4.446 0 1 FIAF C[C@H]1CC[C@H](C)N1C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166913236 PGIIJRZOQWKCSA-HOTGVXAUSA-N 363.461 4.247 0 1 FIAF CCOc1ccc(NC(=O)c2cccc(NC(=O)C3CCCC3)c2)cc1 169341651 VMIJBBHLQPJHCD-UHFFFAOYSA-N 352.434 4.466 0 1 FIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587068950 GQWCHNKLUNBTGF-LBPRGKRZSA-N 369.852 4.295 0 1 FIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(F)cnc(Cl)c2[nH]1 587201848 XQJBQQRTTIAHMW-UHFFFAOYSA-N 370.856 4.331 0 1 FIAF CC(C)(C)OC(=O)N1CC[C@@]2(Cc3nc4cccc5c4c(c3C2)CC5)C1 587212822 RBTGJBMTGATLMH-JOCHJYFZSA-N 350.462 4.059 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3ccncc3)Oc3ccccc31)O2 587396325 ZJSLAXAEPHSWLC-HSZRJFAPSA-N 370.408 4.266 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(Cc2ccccc2)C[C@@H]1C 587481112 XUVGUAUIQDHGPR-QMHKHESXSA-N 365.473 4.201 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C)CC2=O 587491382 UWUQXAJEBIOJFQ-HCQWSFJTSA-N 360.450 4.206 0 1 FIAF O=C1C[C@]2(CC[C@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 587529019 HUKUFKFLEYQWCM-SBUREZEXSA-N 362.425 4.388 0 1 FIAF O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O 587651930 RYFRXUYREQOJLN-ZBFHGGJFSA-N 359.212 4.147 0 1 FIAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587726750 ZLXIMPDSCRDUJH-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(C)(C)CC(=O)O)N1 587820508 AFCPEILLZBXBAS-QGHHPUGFSA-N 372.278 4.229 0 1 FIAF CCc1ccc(C(=O)CCc2nc3cc(Br)c(C)nc3[nH]2)cc1 587954947 FOTNDTZYDSQTNN-UHFFFAOYSA-N 372.266 4.407 0 1 FIAF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)c(Cl)c3)O2)cc1 653716254 GNAXXKZHMNVGSE-KRWDZBQOSA-N 365.216 4.241 0 1 FIAF Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)cc1 653842884 WZEFKEBHHQDKJI-UHFFFAOYSA-N 373.474 4.282 0 1 FIAF Cc1cc2c(cc1F)[C@H](c1ccc(-c3ccc4c(c3)C(=O)OC4)o1)NCC2 962296894 HOCCECPKBUVNCX-OAQYLSRUSA-N 363.388 4.300 0 1 FIAF COc1ccc2c(c1)[C@H](C[C@H]1CCOC1)N(Cc1ccc(F)cc1)CC2 963300755 IHGMDDZXOMCBSZ-VGSWGCGISA-N 355.453 4.360 0 1 FIAF C[C@H]1C(=O)CCC[C@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832079 KRMHVLCZDLUJBR-FYSMJZIKSA-N 374.484 4.477 0 1 FIAF Oc1cccc([C@]23CCC[C@H]([C@@H]2O)N(C[C@H]2C[C@H]2c2ccccc2)CC3)c1 1772613612 QIHQXOJGQNRHKT-FRPFDOCJSA-N 363.501 4.053 0 1 FIAF Cc1ccc(CN(C)CCCCn2nc(-c3ccccc3)oc2=O)c(C)c1 1857547623 SLAOSBOIGOOZSM-UHFFFAOYSA-N 365.477 4.032 0 1 FIAF CCCc1ccc(-c2ccc(N[C@H]3CC[C@H](O)CC3)c(C(N)=O)c2)cc1 1857644465 PLCJOUYXYKRYPW-WGSAOQKQSA-N 352.478 4.120 0 1 FIAF CN(C)S(=O)(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857756464 MUBQPIQLGITBEH-UHFFFAOYSA-N 365.458 4.206 0 1 FIAF C=CC1=CO[C@]23CC[C@H]1[C@@]2(C)CC[C@H]1[C@H]3CC[C@@]2(O)C[C@H](O)CC[C@]12C 2356536428 KIRLHPHUEPKCDT-OZDHYKPOSA-N 358.522 4.344 0 1 FIAF CCCCN1C(=O)C2=C(c3ccc(C)cc3)Nc3ccccc3CN2C1=O 199392640 JNMHIOZOPJRFEI-UHFFFAOYSA-N 361.445 4.354 0 3 FIAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@H]12 3872485 VQHQLBARMFAKSV-AHJNKEMKSA-N 356.462 4.400 0 1 FIAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215155 RZYUDLQJUQIDHN-DVWBAYGPSA-N 374.525 4.224 0 1 FIAF COc1ccc2c(c1)C[C@H]1c3c(ccc(Br)c3CCN1C)O2 13805124 PUNAIHMZORVACK-HNNXBMFYSA-N 360.251 4.335 0 1 FIAF CCCCNC(=O)c1c[nH]c(=S)n1[C@H](CC)c1ccc(F)c(F)c1 28337594 FMDPWUXMCGNQKQ-CQSZACIVSA-N 353.438 4.353 0 1 FIAF N=c1sc2ccccc2n1CCN1CCC(c2ccc(F)cc2)CC1 28768948 YIJMYOZUUPAERG-UHFFFAOYSA-N 355.482 4.201 0 1 FIAF C[C@H]1c2cc(Cl)cc3c2N(CC3)c2ccccc2N1C(=O)CCN(C)C 28771235 WCZUHBIQBKBBDM-AWEZNQCLSA-N 369.896 4.394 0 1 FIAF O=C(COc1ccc2[nH]c(=O)ccc2c1)Nc1ccc(-c2ccccc2)cc1 28867842 ZEVUSMSVETUSMC-UHFFFAOYSA-N 370.408 4.213 0 1 FIAF Cc1sccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1 34602504 MMTSIJITFDUGPD-KRWDZBQOSA-N 369.490 4.020 0 1 FIAF Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(=O)O)c(C(=O)O)c21 36350468 RFYDSALXXRYYFC-UHFFFAOYSA-N 353.374 4.492 0 1 FIAF CCc1c(Sc2cc(C)cc(C)c2)n(CCC2CC=CC2)c(=O)[nH]c1=O 43016229 LKEKFTNJMBBARO-UHFFFAOYSA-N 370.518 4.223 0 1 FIAF CCC(=O)Nc1cc(-c2ccccc2OC)nc(-c2ccccc2OC)n1 66103968 UUJPISPMPGKRCX-UHFFFAOYSA-N 363.417 4.176 0 1 FIAF CCc1c(O)nc(SCC(=O)c2ccccc2)nc1Cc1ccccc1 66251134 AALZEHMOBBTXIP-UHFFFAOYSA-N 364.470 4.310 0 1 FIAF Cc1ccc(CN2[C@@H](C)[C@H](C)Oc3c(Cl)cccc3S2(=O)=O)cc1 72134257 WHHGFCBGSLWNHA-KBPBESRZSA-N 365.882 4.009 0 1 FIAF COc1ccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)cc1 73402831 TYMZTIRSSWUYPG-UHFFFAOYSA-N 359.389 4.278 0 1 FIAF O=C1C(c2ccccc2)=C(c2ccc3ccccc3c2)C[C@H]2C[C@@H](O)CN12 96915246 ROOMESJZDQGFPO-NHCUHLMSSA-N 355.437 4.116 0 1 FIAF OC1(c2ccc(Cl)cc2)C[C@H]2CC[C@H](C1)N2Cc1c[nH]c2ncccc12 101229892 CASUKCWJIMZQFD-QZTJIDSGSA-N 367.880 4.231 0 1 FIAF Cc1ccccc1[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(C(N)=O)c1)C2 101366414 IQTXUDCVFFYTOM-RDPOXOKHSA-N 364.489 4.229 0 1 FIAF COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(C(C)(C)C)cc1 137007951 QODUKAICOKXMSX-ZLVOKCHPSA-N 372.505 4.307 0 1 FIAF O[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 169330934 LHZGTDYRIFFIRQ-DNQXCXABSA-N 364.533 4.412 0 1 FIAF C[C@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@H]1c1ccccc1 169343392 IRDDNKFJTNXDHC-YMTOWFKASA-N 365.212 4.421 0 1 FIAF O=Nc1c([C@H]2C(=O)Nc3ccc(Br)cc32)[nH]c2ccccc12 169692014 DPDJISJVRWDJBN-ZDUSSCGKSA-N 356.179 4.412 0 1 FIAF COc1c2c(cc(O)c1-c1coc3cc(O)ccc3c1=O)OC(C)(C)C=C2 238786175 PEUWWOCVYRAQEV-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1[C@H](O)C3 586992065 SGBYJONQEMPSNP-LJQANCHMSA-N 365.388 4.408 0 1 FIAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)cncc3[nH]2)n1 587080156 NDAXKZBRWCRYAN-ZETCQYMHSA-N 354.639 4.208 0 1 FIAF O=C(CCCc1nc2ccc3ncccc3c2[nH]1)c1ccc(Cl)cn1 587080776 GAOODHSZEOYTNJ-UHFFFAOYSA-N 350.809 4.365 0 1 FIAF CCCc1nc(-c2nc3c(Cl)ncc(F)c3[nH]2)nn1-c1ccccc1F 587156345 MAWYBGBXHGDPBK-UHFFFAOYSA-N 374.782 4.090 0 1 FIAF CC(=O)Nc1cccc(Cc2nc3cc(Br)cc(F)c3[nH]2)c1 587241782 AOZRFIBBLXZXAG-UHFFFAOYSA-N 362.202 4.014 0 1 FIAF COC(C)(Cc1ccccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)OC 587401046 PONPFXSPIGTSHY-OAQYLSRUSA-N 369.461 4.009 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nc3scc(C4CC4)n13)O2 587413645 IBJBJZKUCUGLFT-INIZCTEOSA-N 353.447 4.179 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(OCC)cc31)CC2=O 587491836 QBHDFXSXVQIHTP-QFIPXVFZSA-N 368.429 4.387 0 1 FIAF C[C@@]1(c2ccc(O)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567163 FMLUQQGMQIAZNV-NQIIRXRSSA-N 366.344 4.114 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(F)cc12 587572272 UTPJVGDWFBAWNX-KNQAVFIVSA-N 362.356 4.335 0 1 FIAF CN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587581067 FYSUEARZBJIKAF-REWPJTCUSA-N 373.408 4.089 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccnc2F)N1 587738107 KDOGLUJFJWGLOZ-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 587774528 WDTZKPQHAWUUSQ-QGHHPUGFSA-N 374.257 4.168 0 1 FIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)cc1 587785147 MLPPGLKXYUFSBA-DLBZAZTESA-N 357.413 4.363 0 1 FIAF CCOC[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587804670 DYAJFWAAAIZANL-ZUCKAHLUSA-N 356.279 4.154 0 1 FIAF CCC[C@@]1(CC(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587813356 BUXISVHHIWJPRF-ZMZPIMSZSA-N 368.290 4.487 0 1 FIAF CCC[C@H](O)[C@@]1(CCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587826043 JLGFCPHESSBDBL-PZSREKOKSA-N 358.295 4.279 0 1 FIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587932716 YYSBZALDKMFTLU-QKKBWIMNSA-N 362.408 4.342 0 1 FIAF COc1ccc(-n2c(C=O)c(C)c(C)c2-c2ccc(OC)c(O)c2)cc1 653818583 HMWCLMPXVKVBBU-UHFFFAOYSA-N 351.402 4.296 0 1 FIAF Fc1cc([C@H]2NCCc3cccc(-c4ccccc4)c32)ccc1-n1cncn1 962673087 VUUOCTRDYUCXHR-HSZRJFAPSA-N 370.431 4.309 0 1 FIAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1cc(Cl)ccc1Cl)NCC2 962924696 LTFLYPWQJMHNAF-LJQANCHMSA-N 363.288 4.104 0 1 FIAF COc1ccc(NC(=O)[C@H]2CCN(c3ncccc3C)C[C@@H]2C)cc1Cl 1857602214 KITLBRBMPPLJCD-HOCLYGCPSA-N 373.884 4.153 0 1 FIAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H]2C=C(CCCCC(=O)OC)C[C@H]21 2356331780 QIGRQPVOWVHYBT-XDWAVFMPSA-N 364.526 4.161 0 1 FIAF C[C@]12CCC=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2356548999 NIPQNFNROARCSF-XCSKXHBKSA-N 354.490 4.330 0 1 FIAF Cc1cc(C)n2c(Nc3ccc4c(c3)OCCO4)c(CC(C)C)nc2n1 95570087 GEEQMIBZAVXBBB-UHFFFAOYSA-N 352.438 4.059 0 3 FIAF CC(C)Oc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 13779458 HBXZWCJBKLPIGZ-UHFFFAOYSA-N 365.355 4.482 0 1 FIAF CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26391659 ZOIUUCNFVDJSJK-SPOFZMPASA-N 374.569 4.039 0 1 FIAF O=c1c2ccccc2nc(Cc2c[nH]c3ccccc23)n1-c1ccccc1 26569806 MILREEQYCZZRCL-UHFFFAOYSA-N 351.409 4.458 0 1 FIAF Cc1cc(Cl)c2ccc(Cl)cc2c1CC[C@H]1C[C@@H](O)CC(=O)O1 27876026 DDRAMGUROMYXMD-OLZOCXBDSA-N 353.245 4.454 0 1 FIAF NC(=O)c1ccc(-c2cc(Cl)c3c(c2)C2(CCCCC2)NC(=O)N3)cc1 28373968 WQHMBRVYRFOUDL-UHFFFAOYSA-N 369.852 4.400 0 1 FIAF CC1(C)OC[C@H](NC(=O)Oc2ccccc2Cl)[C@H](c2ccccc2)O1 28381927 QMOLEWDTCHZMMP-RDJZCZTQSA-N 361.825 4.321 0 1 FIAF CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@H]3C(=O)OC[C@H]3[C@]12C 34285901 SPWYWLLHMLQUGG-RMGCFARWSA-N 362.510 4.360 0 1 FIAF O=C(COc1ccc(-c2cccs2)cc1)Nc1cccc(C(=O)O)c1 35323824 LRSMVRVNYWAPOB-UHFFFAOYSA-N 353.399 4.131 0 1 FIAF CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1Nc1ccccc1 40878534 YYUMTRLFQJXVKE-WMZOPIPTSA-N 357.504 4.167 0 1 FIAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CCc3ccccc3O2)CC1 40954349 WCYAHHRDZBUIGB-UXHICEINSA-N 362.473 4.112 0 1 FIAF Nc1nccc(Nc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)n1 45339421 IZXPFVIQVFQGBQ-UHFFFAOYSA-N 352.401 4.499 0 1 FIAF COc1ccc2c(c1CC=C(C)C)O[C@H]1c3ccc(O)cc3OC[C@@]21OC 49049444 IGSYALWDCAHJEF-FCHUYYIVSA-N 368.429 4.277 0 1 FIAF biogenic,in-vivo CCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 82133171 RTMNGWCWGNSQSB-CALCHBBNSA-N 366.509 4.474 0 1 FIAF CCCOc1ccc(-c2cccc(C(=O)NCCCN3CCCC3)c2)cc1 84726842 IAJXJJFIGRINSQ-UHFFFAOYSA-N 366.505 4.358 0 1 FIAF Brc1ccc(Cn2ccc3nc(-c4cccnc4)nc-3c2)cc1 100068211 NZRQXRIDGDWXHW-UHFFFAOYSA-N 365.234 4.256 0 1 FIAF NC1(c2ccc(-c3nc4c(CO)cccn4c3-c3ccccc3)cc2)CCC1 113657803 IYTYBBKZINCQJF-UHFFFAOYSA-N 369.468 4.499 0 1 FIAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)N[C@@H](c1ccc(F)cc1)C2 168716934 ZQKVVTZRFVMFBL-CYBMUJFWSA-N 359.451 4.026 0 1 FIAF C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(NC(=O)C3CCOCC3)cc2)C1 199827388 XVOWWOXYQRLOIK-LRQRDZAKSA-N 356.510 4.172 0 1 FIAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2cccs2)O[C@H]1c1cccnc1 253791730 TZGFTCJPPBRFFT-ZDDHKNJUSA-N 359.447 4.357 0 1 FIAF CCOC(=O)c1cc2c3ccccc3n(Cc3ccccc3OC)c2cn1 473132724 VFXQOTDOALXXMG-UHFFFAOYSA-N 360.413 4.423 0 1 FIAF Cc1nc2[nH]c(-c3cccc4c3OCC4(C)C)nc2cc1Br 586912395 RHTZCZPZJQAEKL-UHFFFAOYSA-N 358.239 4.366 0 1 FIAF COc1cc(OC)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 587021345 IRZISFQARNDVOP-UHFFFAOYSA-N 351.431 4.294 0 1 FIAF COC(=O)c1ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2c1 587076217 QLXFKSPCLRIFKS-UHFFFAOYSA-N 366.808 4.164 0 1 FIAF O=C1CCc2cc3nc(-c4cc(F)cc(Br)c4)[nH]c3cc2N1 587161651 ZOZSVAHBUCKQFE-UHFFFAOYSA-N 360.186 4.016 0 1 FIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(Cl)nc3[nH]2)c1 587240936 RZNZZEXSMOZMHS-UHFFFAOYSA-N 360.801 4.331 0 1 FIAF N=c1ncc(-c2cccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2)c[nH]1 587254042 FYAIJDGIXMOCOW-UHFFFAOYSA-N 355.323 4.118 0 1 FIAF CC[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587356790 RUZZPXMYDZJPAJ-NWXLUKJOSA-N 354.377 4.018 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cccc4cccc(C(=O)O)c14)[C@@H](C2)C3=O 587449218 IJEURUISZQNHGB-KKSFZXQISA-N 360.365 4.035 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CC4(CCCC4)Oc4ccccc41)[C@@H](C2)C3=O 587454100 RPKHJKDIDMPMLU-SBUREZEXSA-N 362.425 4.433 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccc3)n(C)n1)CC2=O 587475042 KNJCMERFRXQWGQ-NRFANRHFSA-N 362.429 4.452 0 1 FIAF C[C@]1(c2cc(Cl)cnc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587500549 QABFQASKAAKQNT-HXUWFJFHSA-N 371.820 4.193 0 1 FIAF O=C1C[C@]2(CCOc3c(F)cc(F)cc32)Oc2c1ccc1c2CCCC1 587506649 LFHSSODRIBPJGJ-NRFANRHFSA-N 356.368 4.487 0 1 FIAF CC(C)[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587632 NQPFFZQSFZKIBU-DENIHFKCSA-N 361.397 4.300 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccc(O)cc12 587608280 KUJMLZFQSCWARZ-NFBKMPQASA-N 374.392 4.291 0 1 FIAF O=C1CCC(=O)N1c1c(-c2ccccc2F)[nH]c2ccc(F)c(Cl)c12 587629334 KVBSBJIWFOTQQZ-UHFFFAOYSA-N 360.747 4.420 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(F)cc2F)N1 587725555 DVUFTXWZKKFIAL-PWJLMRLQSA-N 371.200 4.059 0 1 FIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C 587754370 YGLOFPOGDHZZPJ-XLFHBGCDSA-N 351.263 4.167 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3ccccc32)N1 587790333 CGBJKPAYBZXFIC-ADLMAVQZSA-N 361.258 4.182 0 1 FIAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 587828822 QEHCZIVABWYMSB-KDTLXJAISA-N 350.275 4.384 0 1 FIAF CC(=O)SCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587846715 QZRIKDRNQPSILA-NOZJJQNGSA-N 360.292 4.223 0 1 FIAF O=C(O)C[C@H]1COc2cc(OCc3cccc(N4CCCCC4)c3)ccc21 653726154 LWHNLNPNRIPJSJ-KRWDZBQOSA-N 367.445 4.207 0 1 FIAF COc1ccc2c(c1OC)[C@H](c1cnc(C(C)(C)C)s1)N(C)[C@@H](C)C2 962618775 DVDMGFNDSXJDCF-SJCJKPOMSA-N 360.523 4.424 0 1 FIAF Cc1ccnc2c1CCN[C@@]2(C)c1cc(Cl)cc(OC(F)(F)F)c1 963083722 DJPGIDRSUUFURF-INIZCTEOSA-N 356.775 4.351 0 1 FIAF Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1 1857538478 DBRDRUNIMYQHRB-UHFFFAOYSA-N 372.444 4.325 0 1 FIAF O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(-c3ccc(F)cc3)c12 1857640191 WWIYKHOTKWCQNG-UHFFFAOYSA-N 361.756 4.343 0 1 FIAF Cc1ccc(Nc2nc3c(s2)[C@H](OC(=O)n2ccnc2)CCC3)cc1 1857656515 ABADTCFXJRNIAC-OAHLLOKOSA-N 354.435 4.454 0 1 FIAF CCN(C)C(=O)Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 2382223286 QZGAFMLTVWNDEJ-UHFFFAOYSA-N 369.440 4.090 0 1 FIAF C[C@H]1CCC[C@H](NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)[C@@H]1C 12634781 LPFCQNJZJVZEND-KPEUIFRASA-N 370.522 4.094 0 1 FIAF Clc1ccc([C@H](CCNCCCc2c[nH]cn2)c2ccccn2)cc1 13490249 JSFCRCOLLFTCQM-IBGZPJMESA-N 354.885 4.203 0 1 FIAF CC(C)C(CC(=O)OC[C@H](CO)OC(=O)CC(C(C)C)C(C)C)C(C)C 13517848 DUMNUFPVNODRSI-KRWDZBQOSA-N 372.546 4.070 0 1 FIAF CCCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S 13679311 GLNCVAUSEPMKRR-UHFFFAOYSA-N 352.503 4.227 0 1 FIAF COc1ccc2c(c1)C[C@@H]1c3c(ccc(Br)c3CCN1C)O2 13805126 PUNAIHMZORVACK-OAHLLOKOSA-N 360.251 4.335 0 1 FIAF Cc1ccccc1C(OCCN1CCC[C@@H](C(=O)O)C1)c1ccccc1C 13827989 MFSPCMMBQXBBDX-LJQANCHMSA-N 367.489 4.206 0 1 FIAF CC(=O)Nc1ccc(CNc2[nH]nc3ccnc(Oc4ccccc4)c23)cc1 13981322 DTQGUNBOAFMGGB-UHFFFAOYSA-N 373.416 4.321 0 1 FIAF CSc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2c(SC)c1SC 26969846 ZUOCTFMQFZLZCA-UHFFFAOYSA-N 367.517 4.200 0 1 FIAF COc1ccc2c(c1)c(CCCC(=O)O)c(C)n2C(=O)c1cccs1 28113309 QXPLEVUVMFYBEN-UHFFFAOYSA-N 357.431 4.116 0 1 FIAF COc1ccc2c(c1)c(/C=C1/[C@@H](O)C3CCN1CC3)cn2Cc1ccccc1 28826470 VPGZQOPPHLVIIV-HYIDZWCSSA-N 374.484 4.126 0 1 FIAF O=C(N[C@H]1CCCN2c3ccccc3Oc3ccccc3[C@H]12)C(F)(F)F 29037444 LSXNTASPFDFMDK-SUMWQHHRSA-N 362.351 4.181 0 1 FIAF CC/C=C\C[C@H]1/C=C/[C@H]2[C@H](OC(C)=O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 34610154 FMPPDLWWZZRSMA-KRUADPNQSA-N 374.477 4.078 0 1 FIAF CCCCCNc1ncnc2c1nc(-c1ccsc1)n2C[C@H]1CCCO1 82186466 HCWAZHAWCQAKOM-OAHLLOKOSA-N 371.510 4.336 0 1 FIAF Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5cccc(F)c5)c4)c3c2)cn1 96282976 WXMICXPDNXUCTC-UHFFFAOYSA-N 372.407 4.014 0 1 FIAF C(=C/c1ccc([C@@H]2[C@H]3CN(Cc4nccs4)C[C@@H]2N3)cc1)\c1ccccc1 100108449 MGYKNHXYXRUMTQ-WHRXZXSDSA-N 373.525 4.253 0 1 FIAF CCc1ccccc1NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccco1 100979066 DYBDDRSSYVBRRI-ROUUACIJSA-N 353.466 4.159 0 1 FIAF CC[C@@H](Nc1cc(CN2CC(C(=O)O)C2)ccn1)c1ccc(Cl)c(C)c1 118403203 LGJYHPUYXMVQCB-GOSISDBHSA-N 373.884 4.123 0 1 FIAF COc1cc2cc(C)c(C=O)c(-c3ccc4c(c3)OCO4)c2cc1OC 238733787 AEZQCYJTOQVFPP-UHFFFAOYSA-N 350.370 4.374 0 1 FIAF CN(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@](C)(O)[C@@]4(C)CC[C@H]32)C1 238748720 YYMQYZVGPLFKMF-PKVISLJVSA-N 363.586 4.071 0 1 FIAF O=C(O)/C=C/c1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586880301 PFLTZRZIFYSJNJ-AATRIKPKSA-N 350.271 4.486 0 1 FIAF Oc1c(-c2ccccc2)cccc1-c1nc2nc(Br)c[nH]c-2n1 586896881 TYKSDKCNGQFJFF-UHFFFAOYSA-N 367.206 4.107 0 1 FIAF Cc1c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)oc2c1[C@H](O)CCC2 586905401 NRMWUUDQZNCSER-SNVBAGLBSA-N 352.312 4.400 0 1 FIAF Nc1ccc(-c2ccc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c3c2)cc1N 587088431 NVASLIMQRMEGDJ-ZDUSSCGKSA-N 369.419 4.144 0 1 FIAF Cc1coc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587341716 XHXUGMDGFODKRB-PXNSSMCTSA-N 353.349 4.102 0 1 FIAF CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527341 TVESUBYBQZWPOH-JOCHJYFZSA-N 367.445 4.343 0 1 FIAF CC(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587590352 ZKQSVGGMSZIRRO-PXNSSMCTSA-N 362.385 4.009 0 1 FIAF C[C@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591623 DFZYPNHKGFUXKV-DENIHFKCSA-N 362.381 4.192 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(C2CC2)N1 587773719 RMWAJPOLHATWPJ-ZMZPIMSZSA-N 361.258 4.171 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn3ccccc3n2)N1 587773800 JRZZGGDBRXXFPW-ADLMAVQZSA-N 374.257 4.034 0 1 FIAF Cc1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850945 GSVNXUCHKXPFQF-WJWGPLDTSA-N 355.276 4.285 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1cc(F)cc(F)c1 587871079 YVHOOFRFHGRARI-UHFFFAOYSA-N 361.323 4.446 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2C1(c2ccccc2)CCOCC1 963581700 OBTKVFQKBWITCO-AOMKIAJQSA-N 367.489 4.028 0 1 FIAF C[C@H]1C(=O)CCC[C@@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832081 KRMHVLCZDLUJBR-UPCLLVRISA-N 374.484 4.477 0 1 FIAF O=C(Nc1cccc(F)c1)c1cc(O)nc2cc(C3=CCOCC3)ccc12 1857635511 PRBOWLDXNVFTBM-UHFFFAOYSA-N 364.376 4.136 0 1 FIAF COc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3OC)[nH]n2)c(C)c1 61898475 HTNVJLORROJDBK-UHFFFAOYSA-N 371.824 4.308 0 3 FIAF CCNC(=O)[C@@]1(C)CCCN(Cc2cccc(Oc3ccccc3)c2)C1 61907355 HOQBDSBKCJUYFH-QFIPXVFZSA-N 352.478 4.217 0 3 FIAF O=C(Nc1nc2ncccn2c1-c1ccc(F)c(F)c1)c1ccc(F)cc1 203466078 GEXGFPBOYJFQME-UHFFFAOYSA-N 368.318 4.066 0 3 FIAF CCN(CCc1ccc2c(c1)OCO2)C[C@@H]1CCCc2c(OC)cccc21 13761415 ONFWFXVYFYGLMC-SFHVURJKSA-N 367.489 4.408 0 1 FIAF O=C(CCN1CCN(c2cccc3ccccc23)CC1)c1ccsc1 13861767 AEEDQVJYSPEPSO-UHFFFAOYSA-N 350.487 4.296 0 1 FIAF COc1cccc(CCc2cc(OC)cc(O)c2Cc2ccc(O)cc2)c1 14811023 AEHPFSANMZYPCC-UHFFFAOYSA-N 364.441 4.491 0 1 FIAF biogenic,in-vitro CC[C@H](c1ccc(F)c(C(F)(F)F)c1)n1c(C(=O)OC)c[nH]c1=S 28351710 ROMDDEQTMYTOPI-LLVKDONJSA-N 362.348 4.490 0 1 FIAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccn4)c3)c12 28885218 MZSPZYSBRZLYMP-UHFFFAOYSA-N 371.444 4.220 0 1 FIAF O=C(O)C[C@H]1C[C@H](F)CN1CCC=C(c1ccccc1)c1ccccc1 45393133 DWHSMAKOIPCVNH-VQTJNVASSA-N 353.437 4.396 0 1 FIAF Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ncccc21 71319046 JJJUTEJMSCWLKG-UHFFFAOYSA-N 374.410 4.367 0 1 FIAF COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1 72123555 UKEJTUFMACRNBO-UHFFFAOYSA-N 364.489 4.192 0 1 FIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O 95911017 XZFRIPGNUQRGPI-MJTRIXJOSA-N 350.499 4.072 0 1 FIAF in-vitro C[C@@H](CF)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N(C)C2 100844645 ZSLWUVZDXDAKIP-RGYORQFESA-N 353.865 4.055 0 1 FIAF CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1ccc(C)c(Cl)c1 102761147 DWIJJFUKYANERD-OAHLLOKOSA-N 360.870 4.381 0 1 FIAF Nc1nc2[nH]c3cccc(Sc4ccc5ccccc5c4)c3c2c(=O)[nH]1 103230514 KSVRMBKBKVMXGU-UHFFFAOYSA-N 358.426 4.291 0 1 FIAF CCCCN(CC)CCCn1cnc2c3cc(Cl)ccc3nc-2c1O 103904087 PLRKCUWBTMHVNJ-UHFFFAOYSA-N 360.889 4.407 0 1 FIAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2oncc2C)c1 113766286 ZADMDEZTLWZDIT-MRXNPFEDSA-N 364.445 4.390 0 1 FIAF COCCNC(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1 144307509 QBCCKMQQPJHXPD-UHFFFAOYSA-N 353.397 4.117 0 1 FIAF Nc1cnc(-c2ccc(-c3ccccc3Oc3ncccn3)cc2F)cn1 224765145 APXMBHWSNKRFRO-UHFFFAOYSA-N 359.364 4.114 0 1 FIAF Cc1cc(C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)c(Cl)c2)c(C)o1 299857688 PAKYXZHVOCIMNW-AWEZNQCLSA-N 356.205 4.149 0 1 FIAF CO[C@@H]1CCC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 473233273 LQIBQKJUPJGWMQ-XQIYRAAOSA-N 371.521 4.038 0 1 FIAF CCn1cc(Br)c(Cc2nc3ccc4c(c3[nH]2)CCCC4)n1 587000498 OKRKBWGJJSZZGE-UHFFFAOYSA-N 359.271 4.011 0 1 FIAF Cc1cc2c(Br)ccc(-c3nc4c(Cl)ncnc4[nH]3)c2o1 587003944 OCWQFQGTLRJYMU-UHFFFAOYSA-N 363.602 4.490 0 1 FIAF Cc1cncc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587018386 YERLIFDXESEQMG-UHFFFAOYSA-N 358.430 4.104 0 1 FIAF N[C@H](N=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052750 KZIXYALEMBXABW-QGZVFWFLSA-N 351.797 4.398 0 1 FIAF Cc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br 587162746 DAJLQHGKXJLWHA-MRXNPFEDSA-N 362.246 4.424 0 1 FIAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587172199 ZJGICXXZUOZMLF-NSHDSACASA-N 364.467 4.001 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cnn(C(C)C)c3nc1Cl)O2 587383316 VXCYYJBZKMFMDY-MRXNPFEDSA-N 370.840 4.263 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(O)c(Cl)c1Cl)[C@@H](C2)C3=O 587421406 LPCHEJQPULHCNX-DYZYQPBXSA-N 351.185 4.196 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(C(=O)O)ccc1F)CC2=O 587466383 LFCUQSHYUCAIIH-OAQYLSRUSA-N 372.392 4.453 0 1 FIAF Cn1ccnc1[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515120 JMLDSGGPDFQEBQ-AOMKIAJQSA-N 350.462 4.361 0 1 FIAF Cn1nccc1[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587516562 DDTKDSKFMRIBSA-ZHRRBRCNSA-N 350.462 4.361 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(F)cc1F 587569611 RJLBFZRUWMNDDR-RBUKOAKNSA-N 368.335 4.243 0 1 FIAF COc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601596 UCAJVEBOMXYCNG-NZQKXSOJSA-N 374.392 4.204 0 1 FIAF CC[C@]1(c2ccc(F)cn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587735400 UHWWOKRZYOTQNJ-QGHHPUGFSA-N 367.237 4.310 0 1 FIAF Cc1cc(F)ncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587739037 SJTAASSMTPBKNI-XXFAHNHDSA-N 353.210 4.054 0 1 FIAF CC(=O)C[C@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815078 XYCNIHUINFRMTR-GTNSWQLSSA-N 356.279 4.343 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2ccc(F)cc12 587870433 ICVRLYVXUQWKJE-UHFFFAOYSA-N 352.344 4.159 0 1 FIAF COc1ccc2c(c1OC)[C@]1(CC[C@@H]1OCc1ccccc1)N(C)[C@H](C)C2 962626705 MYUUYJHCHJGABW-NIJIEXERSA-N 367.489 4.155 0 1 FIAF Cc1ccnc2c1CCN[C@H]2c1c(F)cc(OCc2ccccc2)cc1F 963066288 GGAUXRWPCPIQCD-QFIPXVFZSA-N 366.411 4.482 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CC(C)(C)Oc2ccccc21 963608426 LEKNSGNZRKAJMU-RCDICMHDSA-N 353.462 4.043 0 1 FIAF Cc1ccc(-n2cc(COc3c4occc4cc4ccc(=O)oc34)nn2)cc1 1772648693 LBPROQCPURDXMU-UHFFFAOYSA-N 373.368 4.007 0 1 FIAF C[C@H](C[C@]1(C(=O)O)[C@H](C)CC[C@]23COC(=O)C2=CCC[C@@H]13)c1ccoc1 2356463891 QJSXPJCSCZFGGZ-IPYOLQIVSA-N 358.434 4.154 0 1 FIAF C=CC(=C[C@]1(C)CCCC(C)(C)C1)[C@@H]1[C@H](OC(C)=O)O[C@H]2OC(=O)C[C@@H]21 2356617640 LKUHGEWOMPMDBN-IEGBIBBISA-N 362.466 4.130 0 1 FIAF CC=CC=CC=CC=C[C@@H](O)CC(=O)CC=C1CC=C(OC)[C@H](OC)C1 2356766442 HBZCURMVRPLXBZ-DENIHFKCSA-N 358.478 4.207 0 1 FIAF Cc1ccc(C2=C[C@@H](c3ccc(F)cc3)N(C(=O)c3ccncc3)N2)cc1 2382247680 YOVRWGDZBSXUPG-NRFANRHFSA-N 359.404 4.272 0 1 FIAF C#C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 3849611 VCQVEQNCPAVVLX-FAGWYDQESA-N 358.522 4.137 0 1 FIAF biogenic O[C@]1(c2ccc3ccccc3c2)c2ccc3ccccc3c2C2=NCCN21 6041418 AYESQVUVFADUMC-XMMPIXPASA-N 350.421 4.262 0 1 FIAF CN1[C@H]2CC[C@@H]1C[C@@H](c1ccc(F)cc1)[C@@H]2COc1ccc2c(c1)OCO2 13776983 CUWDCKZGAWYXEX-GTAWCEEGSA-N 369.436 4.200 0 1 FIAF CCCc1noc(-c2ncn3c2CN=C(c2ccccc2)c2ccccc2-3)n1 26379572 UHIQJIRVLPYXHX-UHFFFAOYSA-N 369.428 4.226 0 1 FIAF CN(C)C(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1 70463017 JSDMAQLKBHHRNO-UHFFFAOYSA-N 372.450 4.491 0 1 FIAF c1cnc(NCc2ccc(CNc3cccc(N4CCCC4)c3)cc2)nc1 72110048 JURJKWVJHNOLCO-UHFFFAOYSA-N 359.477 4.301 0 1 FIAF CC(C)(C)c1ccc(-c2nnc3ccc(-c4ccc(C(=O)O)cc4)nn23)cc1 82060581 XBWWIKBRRKYVSF-UHFFFAOYSA-N 372.428 4.454 0 1 FIAF COc1ccc(-c2cc(=O)c3cc(Br)ccc3o2)c(OC)c1 96142767 DJOKTCJODXHCDU-UHFFFAOYSA-N 361.191 4.240 0 1 FIAF CCCn1c(NCc2ccc(C)cc2)nc2nc(C3CCCC3)[nH]c2c1=O 117371666 IYYNPQXZSSSBKF-UHFFFAOYSA-N 365.481 4.108 0 1 FIAF Cc1cc([C@H](C)Nc2cccc(CN3CC(C(=O)O)C3)c2)ccc1Cl 118392052 NHEYCGCCKUOVNF-AWEZNQCLSA-N 358.869 4.338 0 1 FIAF O=C(O)CCCNCc1ccccc1NC(=O)c1ccc2ccccc2c1 169333687 ZJJTXLFYHZDLLE-UHFFFAOYSA-N 362.429 4.047 0 1 FIAF CC(=O)O[C@H]1C=C(C)CCC=C(C)[C@@H](O)C[C@@H](C(C)C)C=C[C@@](C)(O)C1 299806319 CLLDSYFHQCFUQA-MYGLTJDJSA-N 364.526 4.325 0 1 FIAF C[C@H](Cn1nc(-c2ccc3[nH]ccc3c2)c2c(N)ncnc21)c1ccccc1 473135068 FIBSJIPNOBLFML-CQSZACIVSA-N 368.444 4.361 0 1 FIAF Cc1c(Br)ccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c12 586882466 URIHTVLCIVPQFS-RMKNXTFCSA-N 357.207 4.399 0 1 FIAF CCOC(=O)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990895 HTEZUVLKQKWIOF-HNNXBMFYSA-N 373.408 4.135 0 1 FIAF Clc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c(Cl)n1 587038620 AZEPJNIZCWOLBH-YPMHNXCESA-N 365.289 4.211 0 1 FIAF Cc1c(Br)cc2nc(Cc3csc4nccn34)[nH]c2c1C 587040876 UIUKNSQWEUXPPD-UHFFFAOYSA-N 361.268 4.242 0 1 FIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc3ncccc3c2[nH]1 587109974 YZSJCFYPHVLSDF-UHFFFAOYSA-N 357.291 4.495 0 1 FIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)C(C)(C)C 587203638 GELLLNHCRKTSPW-SNVBAGLBSA-N 370.856 4.232 0 1 FIAF CC1(C)Cc2nc3cccc4c3c(c2C[C@H]1C(=O)O)-c1ccccc1C4=O 587207605 SODAGEKTXGQQAP-INIZCTEOSA-N 357.409 4.272 0 1 FIAF COc1ccccc1Nc1ccccc1-c1nc2c(Cl)ncnc2[nH]1 587241343 UNYCUWFWHPNZCP-UHFFFAOYSA-N 351.797 4.426 0 1 FIAF COc1cccc(-c2cc(-c3ncnn3C)nc3c2oc2ccccc23)c1 587363314 LWPIOLZZTNCPLI-UHFFFAOYSA-N 356.385 4.452 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2C[C@H]1C 587371583 LAGOMTLHSQYANR-NSPYISDASA-N 372.262 4.393 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)c(Br)c1)O2 587381329 HCFJFJJRJGQKJY-KRWDZBQOSA-N 364.214 4.359 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1ccc(F)cc1F)O2 587384853 JQNKHBWWMAUBGN-OAQYLSRUSA-N 366.367 4.159 0 1 FIAF CCc1ccc([C@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402889 ASBNXYBNKHVREI-QFIPXVFZSA-N 367.445 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(Cc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587424052 WSGLMPWOLKYDNN-KXBFYZLASA-N 362.347 4.463 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C=O)cn4)cc1)[C@@H](C2)C3=O 587437009 XBZMCDZGYPZYAF-MBSDFSHPSA-N 371.392 4.058 0 1 FIAF CCc1ccc(-c2c[nH]nc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587438578 GRSZWIBBAUKYNL-ZHRRBRCNSA-N 360.413 4.136 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ncc[nH]1)CC2=O 587465882 HTWFJWKPONYABR-OAQYLSRUSA-N 366.392 4.116 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(=O)OCC)c1)CC2=O 587476898 BKRDXXVCJBJUSG-JOCHJYFZSA-N 368.429 4.402 0 1 FIAF Cc1nn(C)c(C)c1[C@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587509913 YHBJILUPJQPXFH-FQEVSTJZSA-N 360.404 4.042 0 1 FIAF CCCn1nc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582036 NGALWUBJDGFZJP-RXVVDRJESA-N 364.401 4.010 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COc2ccc(F)cc2)N1 587729332 HIXHYXKVDBONJU-BMIGLBTASA-N 368.221 4.382 0 1 FIAF Cc1cc(N)cc(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587742921 BPHDSEOHXONWGN-BBATYDOGSA-N 363.274 4.411 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(cnn3C)c2)N1 587757233 GKQJQDQHLDLTEL-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF CC(C)c1nc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)co1 587771103 BKXBBMPFKXBJIG-BMLIUANNSA-N 367.262 4.497 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587823119 OHEJDOQXHYOXJB-MIUNTBIASA-N 368.290 4.487 0 1 FIAF Cn1c(=O)n(C2CCCCC2)c2c3cc(-c4ccc(N)nc4)ccc3ncc21 653856280 RSXRYZNXLRVLER-UHFFFAOYSA-N 373.460 4.038 0 1 FIAF CCOC(=O)C[C@]1(c2ccc(OC)c(C)c2)NCCc2c1sc(C)c2C 963012793 QXINNLMYFWCZCL-OAQYLSRUSA-N 373.518 4.024 0 1 FIAF CCNc1n[nH]c2cc(NC(=O)N[C@H](CC)c3ccc(Cl)cc3)ncc12 1772570567 RYVASRBWRUGFCB-CQSZACIVSA-N 372.860 4.316 0 1 FIAF Cc1ccc(S(=O)(=O)N2N=C3CCC[C@H]3[C@H]2c2ccc(F)cc2)cc1 1857549493 ORETWNHURJXTFQ-IEBWSBKVSA-N 358.438 4.036 0 1 FIAF Clc1ccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1Cl 1857597963 AIBVPXWOBQPPNV-UHFFFAOYSA-N 359.216 4.060 0 1 FIAF CC[C@@H](C)C(=O)NC[C@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 12201044 CQSNXFSJVIDXOL-RDTXWAMCSA-N 351.446 4.022 0 1 FIAF CCCCn1cc(C(=O)Nc2ccc(OC)cc2)c(=O)c2ccccc21 13678291 UDHPUIXPGUPRKT-UHFFFAOYSA-N 350.418 4.063 0 1 FIAF Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCC2)c1 34819350 JCHFWQZDJSROOH-UHFFFAOYSA-N 358.507 4.228 0 1 FIAF Cc1ccccc1Sc1c(C(=O)NCCO)[nH]c2ccc(Cl)cc12 35001614 VPWNPCUKCTYSDQ-UHFFFAOYSA-N 360.866 4.003 0 1 FIAF CCCC[C@@H](O)C1=CC[C@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@H]3C1 40511746 DJYWGBMTZMYDEB-ODAXIHTASA-N 355.522 4.081 0 1 FIAF COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2c(OC)c1OC 41479587 CERHTPYSIDUQCS-UHFFFAOYSA-N 363.776 4.192 0 1 FIAF COc1ccc2c(c1)-c1[nH]c3ccc(Br)cc3c1CC(=O)N2 45290714 BDGMLSKKNBJWEY-UHFFFAOYSA-N 357.207 4.101 0 1 FIAF Cc1c([C@@H](C)OC(=O)Nc2ccc(Cl)c(Cl)c2)oc2ncnn12 66252727 UUOVGXMBILZJEO-MRVPVSSYSA-N 355.181 4.247 0 1 FIAF COC(=O)[C@@H](OC)c1cccc(COc2cc(Cl)cc(Cl)c2)c1 103181593 JOJZQAMZWRQXOW-INIZCTEOSA-N 355.217 4.433 0 1 FIAF C[C@@H](Nc1nccc(N2C(=O)OC[C@H]2Cc2ccccc2)n1)c1ccccc1 142140377 RARVJANBOPOITE-VQIMIIECSA-N 374.444 4.218 0 1 FIAF O=Nc1c([C@H]2C(=O)Nc3ccccc32)[nH]c2cc(Br)ccc12 169685094 VIFBPOGUAJNLQM-ZDUSSCGKSA-N 356.179 4.412 0 1 FIAF Cc1c(Cl)ccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005359 FLEQGORLTHTQKL-UHFFFAOYSA-N 358.026 4.398 0 1 FIAF Brc1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587042986 WXBBOCAOZBQCFD-GJZGRUSLSA-N 374.307 4.272 0 1 FIAF C[C@@]1(c2nc3cccc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 587154293 DAIDVTCEKAVWRX-KRWDZBQOSA-N 374.213 4.256 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(Br)s1)O2 587410845 QHJKUEIZJIUCGN-LBPRGKRZSA-N 352.253 4.416 0 1 FIAF CCCCn1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 587433455 YMSPJVTWYBRVFG-QVKFZJNVSA-N 362.429 4.334 0 1 FIAF CCCCOC(=O)[C@H]1CCC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 587486741 ZTDWMCKEZDUEGC-IIBYNOLFSA-N 360.450 4.192 0 1 FIAF C[S@@](=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531579 HOXCDWFLPBPXQO-SQJMNOBHSA-N 354.471 4.183 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccn2)N1 587698692 IZXXWNISRSMNAK-AYVTZFPOSA-N 355.638 4.260 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2F)N1 587725213 CFZYLZDXVJUXGA-PWJLMRLQSA-N 356.185 4.490 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cnc2Cl)N1 587733178 NOFZETKWTWMALJ-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF Cc1cc(N)cc(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587748238 VWTBMYQEJVSNQB-ADLMAVQZSA-N 363.274 4.411 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncccc3o2)N1 587778338 MDUKOJYGLQKSPZ-XLFHBGCDSA-N 361.214 4.353 0 1 FIAF Cc1ccncc1[C@@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962649208 ZQDHCUJOULRRGX-RCZVLFRGSA-N 369.512 4.400 0 1 FIAF COc1ccc(COc2ccc(-c3ccc(C(=O)O)c(O)c3)cc2)cc1 1857538649 XBMHJEUESBOOGD-UHFFFAOYSA-N 350.370 4.345 0 1 FIAF C[C@@H]1CC[C@H]2CC3=C(C(=O)O)CC[C@]31[C@]2(C)CNC(=N)NC1CCCCC1 2356360340 DKLWFBLWXKNSOB-SNINSWTHSA-N 373.541 4.051 0 1 FIAF CC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1cccc(C(F)(F)F)c1 8300167 VOUIYZULMOEQEV-HEHGZKQESA-N 356.388 4.374 0 1 FIAF biogenic COC(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 27422364 MAQMGMISLYBNHO-NULGBIHESA-N 372.505 4.385 0 1 FIAF Cc1cccnc1N1CCN(c2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H](C)C1 28351578 UUIISAMAMAOUDS-MRXNPFEDSA-N 363.509 4.279 0 1 FIAF O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2O)nc1)c1ccccc1F 28889328 QMVRSBUQOIXYIF-SOFGYWHQSA-N 373.380 4.069 0 1 FIAF O=S(=O)(c1ccc2ccccc2c1)c1cc(O)c2ccccc2c1O 40874372 NEXUTBMTXKQNMP-UHFFFAOYSA-N 350.395 4.237 0 1 FIAF in-vivo CCc1c(Sc2cc(C)cc(C)c2)n(CC[C@H]2C=CCC2)c(=O)[nH]c1=O 43012502 ZEBVRXQYXXCKAV-INIZCTEOSA-N 370.518 4.223 0 1 FIAF CCn1ccc2cc(-c3cnc(N)nc3-c3ccc(OC)cc3O)ccc21 71329730 KBLISKGVJDOEKG-UHFFFAOYSA-N 360.417 4.082 0 1 FIAF Cc1ccccc1-c1nc(CN(C)[C@@H]2CCN(Cc3ccccc3)C2)co1 72185925 JPRORLJLDDJDRY-OAQYLSRUSA-N 361.489 4.356 0 1 FIAF Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)Cc1ccccc1)CC(=O)N2 72187820 FILHCBGVNHCKDT-DEOSSOPVSA-N 370.452 4.108 0 1 FIAF CC(C)c1cccc(-c2cccc3nc(Nc4ccnc(CO)c4)nn23)c1 96282545 LFBSGSKFVJYZDC-UHFFFAOYSA-N 359.433 4.151 0 1 FIAF CCCCN(C(=O)CC)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 100459341 NVVVDUYSYPDLTN-OAQYLSRUSA-N 374.525 4.224 0 1 FIAF biogenic CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166618503 RAGISRBXAKSBCJ-UHFFFAOYSA-N 351.450 4.010 0 1 FIAF O=C1NCCn2cc(-c3cccc4ccc(Nc5ccccc5)nc34)cc21 222403916 NSUAVZRKGRVKNI-UHFFFAOYSA-N 354.413 4.190 0 1 FIAF COC[C@@H](C)[C@H](C)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1 299828492 JOAFMJSIGQRTTK-KGLIPLIRSA-N 360.450 4.166 0 1 FIAF O=C(Nc1ccc(SC[C@@H]2CCCN3CCCC[C@@H]23)nc1)c1ccco1 504132125 CGAHYFYWVIGNKW-RDJZCZTQSA-N 371.506 4.284 0 1 FIAF biogenic COc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1Cl 586983247 XMBJYCTZCGXXTN-UHFFFAOYSA-N 365.614 4.467 0 1 FIAF Cc1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2n1 587034527 OHVMSSPEEJAVPY-UHFFFAOYSA-N 370.478 4.288 0 1 FIAF CCOC(=O)Cc1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587088385 ZCLKZFWJWNYKNE-UHFFFAOYSA-N 353.809 4.470 0 1 FIAF Fc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c(F)c1F 587120157 UXADVTRJDWFTJQ-UHFFFAOYSA-N 374.288 4.123 0 1 FIAF Fc1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1Br 587122795 GTXCORYHECKTKF-UHFFFAOYSA-N 372.144 4.170 0 1 FIAF COc1cccc(-c2cc(F)cc(-c3nc4nc(Cl)c[nH]c-4n3)c2)c1 587160185 KWURKRZHQWGSEJ-UHFFFAOYSA-N 354.772 4.440 0 1 FIAF Cc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1C 587196628 ANZYDYOOSBFKFO-HNNXBMFYSA-N 359.470 4.096 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2CCO)[C@H]1c1ccc(F)cc1 587352658 LOGCNAHORFVRLX-LVWPNOBMSA-N 370.420 4.202 0 1 FIAF C[C@@]1(c2sccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372110 DVCIUQCXCIHKML-FXAWDEMLSA-N 369.417 4.449 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nccnc1-c1ccc(Cl)cc1)O2 587379523 JBOZJSSGGVHKJO-QGZVFWFLSA-N 365.820 4.394 0 1 FIAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC(C)C 587440752 QIJBLOXZZQIIEW-ZHRRBRCNSA-N 368.429 4.370 0 1 FIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccccc1)CC2=O 587466686 AZBIBSUSQXLGQQ-TWLJRWAQSA-N 351.446 4.281 0 1 FIAF C[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587530429 BULVTENJUPYYDK-QFIPXVFZSA-N 350.414 4.217 0 1 FIAF COCC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596337 NPQBQHLRPPNVJZ-DYESRHJHSA-N 356.418 4.175 0 1 FIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 587784804 JNTZPRPRMJUAET-QWRGUYRKSA-N 362.763 4.438 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3c[nH]cc32)N1 587792634 PSADSQYTBMVFAP-VOJFVSQTSA-N 363.274 4.421 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC2CCOCC2)N1 587831872 AJGZBHZAFBFDQS-GTNSWQLSSA-N 356.279 4.154 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)cs2)N1 587854682 RWWGTKIBMKUDCJ-INWYIAFRSA-N 361.667 4.322 0 1 FIAF Cc1cc(C)c([C@@]2(C)NC3(CC3)Cc3ccc(Br)cc32)c(O)n1 961314778 ANAQMGJWAFAQBV-SFHVURJKSA-N 373.294 4.108 0 1 FIAF Cc1nc2c(o1)CCC[C@@]21c2cccc(F)c2CCN1[C@H]1CCSC1 962711720 QBUMOKUCCINNSO-VBKZILBWSA-N 358.482 4.066 0 1 FIAF Cc1ccc(SC[C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963018871 FHSWBKQWRVQMBD-BTYIYWSLSA-N 352.503 4.056 0 1 FIAF O=C(Nc1ccc(F)cc1)c1cc(O)nc2cc(Br)ccc12 1857748035 FJSQUNKBIAWWBP-UHFFFAOYSA-N 361.170 4.094 0 1 FIAF O=C(C1CCCCC1)N(CCN1CCCC1)c1nc2ccccc2s1 4400575 SVGZZPWDRAZXQK-UHFFFAOYSA-N 357.523 4.305 0 3 FIAF COc1ccc([C@@H]2C[C@](O)(c3ccccc3)Oc3cc(OC)ccc32)cc1 13661717 AAJXZKMGUIMSEV-JTHBVZDNSA-N 362.425 4.464 0 3 FIAF COc1ccc([C@](C)(O)c2nc(-c3cccc(NC(C)=O)c3)cs2)cc1 61903989 MWKJQBNRRXMKHI-FQEVSTJZSA-N 368.458 4.033 0 3 FIAF CC(C)NC(=O)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61904107 QKXDTSWALYJVIA-OAQYLSRUSA-N 374.440 4.369 0 3 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4C=C(O)C=C[C@]4(C)[C@H]3CC[C@]12C 13737946 CXIZEAWVDWCMQV-IKRAPHRESA-N 370.537 4.432 0 1 FIAF COc1cc(Nc2cncc(Nc3cccc(F)c3)n2)cc(OC)c1OC 40943501 GBFBHEHPQKZOPX-UHFFFAOYSA-N 370.384 4.129 0 1 FIAF CCOC(=O)c1cc(-c2cccc(OCc3ccc(F)cc3F)c2)on1 45257051 UIQXDFZGOPJMNP-UHFFFAOYSA-N 359.328 4.376 0 1 FIAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2ccsc2c1=O 49068066 HCOCVIIDJMDWEZ-UHFFFAOYSA-N 361.422 4.477 0 1 FIAF Fc1cccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)c1 72102761 NFGGVWUQDYJWFK-UHFFFAOYSA-N 374.419 4.473 0 1 FIAF CN1C/C=C/CCOc2cc(ccn2)-c2ccnc(n2)Nc2cccc(c2)C1 84705666 GILWXCHDCXNXEJ-NSCUHMNNSA-N 373.460 4.053 0 1 FIAF CCC[C@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23 95555737 VOURBOMNGNGZBD-INIZCTEOSA-N 368.477 4.188 0 1 FIAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4cccnc4)cc3)c12 96168238 MGGDGQRUZDGHPN-UHFFFAOYSA-N 357.417 4.433 0 1 FIAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)C1 101706568 KWGIXLKUUUKGLB-XUKPLFAISA-N 367.537 4.124 0 1 FIAF Oc1cccc(Nc2ncc(C(F)(F)F)c(Nc3cccc(O)c3)n2)c1 114326641 XAPYUTCJRVEBJF-UHFFFAOYSA-N 362.311 4.394 0 1 FIAF Cc1cccc(-c2cc3c(N[C@@H]4CCC[C@]4(C)F)c(C(N)=O)cnn3c2)c1 146125034 RETOGHVZWDPJEU-NQIIRXRSSA-N 366.440 4.101 0 1 FIAF Cc1cc(NC(=O)c2cccs2)ccc1N1CC[C@H](N2CCC[C@H]2C)C1 299845196 QDYLERBISXXLCK-AEFFLSMTSA-N 369.534 4.372 0 1 FIAF Nc1cccc2c1-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586987901 URZKJBUSZWGCSJ-UHFFFAOYSA-N 364.404 4.500 0 1 FIAF N=c1cc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c[nH]1 587069589 FMWKJUXVDTVDRN-UHFFFAOYSA-N 350.809 4.270 0 1 FIAF Cc1c(Br)cnc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc12 587139838 PFUSJNLOSWYXCH-UHFFFAOYSA-N 370.172 4.231 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 587149449 HFUSTKORKWGWAO-LLVKDONJSA-N 360.360 4.087 0 1 FIAF C[C@H](CSc1ccc(F)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587170003 HMYYNLCFWFEIMX-MRVPVSSYSA-N 356.348 4.358 0 1 FIAF COc1ccc(NC(C)(C)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587200871 AYQCHLYWYZEDCQ-UHFFFAOYSA-N 350.344 4.333 0 1 FIAF COc1cc2c3c(c1)O[C@](C)([C@@H](C)c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587444014 RWCALHPVHJPJFI-KFVPTDEHSA-N 368.429 4.022 0 1 FIAF COc1ncc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC 587499154 LGDJUTDUVPXPDM-MRXNPFEDSA-N 373.836 4.338 0 1 FIAF C[C@]1(c2nc3ccc(F)cc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 587508212 OIDSXKJMAJPMPS-OAQYLSRUSA-N 350.393 4.461 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cnc1Cl 587572467 VFSAXJRJWRZRLU-YJBOKZPZSA-N 371.751 4.283 0 1 FIAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)nc(Cl)c2[nH]1 587786639 JHAAUFYDRYUYPA-UHFFFAOYSA-N 364.232 4.397 0 1 FIAF CCCCOC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587789374 BPDQLSJSEDEZOE-DIFFPNOSSA-N 372.278 4.071 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c([nH]2)CCCC3)N1 587806826 VZXOLKOXTBLVCV-YPMLDQLKSA-N 363.274 4.419 0 1 FIAF CO[C@@H]1[C@H](C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587813681 WMIVRASCHXBQPQ-UJFOZSIOSA-N 356.279 4.009 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)C2(C)C)N1 587816950 GIOASOKUKHLOCX-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF Cc1nc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587852421 KXKFOZJVPALLFB-BCTVWOGZSA-N 369.303 4.459 0 1 FIAF CC(=O)[C@@H]1CCC(C)=C[C@@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962703233 HZZZAMDZJVTYNK-MMOPVJDHSA-N 359.510 4.330 0 1 FIAF O=[S@](Cc1nc(C(F)(F)F)no1)C(c1ccccc1)c1ccccc1 1772622557 JGLPDUKBODWHIN-RUZDIDTESA-N 366.364 4.127 0 1 FIAF CC[C@@H]1CN(Cc2ccccc2)c2cc(-c3cncnc3)ccc2N1C(C)=O 1857762722 DNPDFQOIMWICRC-OAQYLSRUSA-N 372.472 4.295 0 1 FIAF O=C(NC1CCCCCC1)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1 1911579525 KTGARFXYHDYLNT-UAPYVXQJSA-N 374.481 4.097 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)C[C@H](O)C=C(C)C[C@@H](O)[C@@H]12 2356521455 YVXKBXZXMGSJNO-UDRJQCFMSA-N 364.526 4.015 0 1 FIAF CC=C(C)C(=O)OCC=Cc1cc(OC)c(OC(=O)C(C)=CC)c(OC)c1 2356527502 DDRSRJPRVMERSF-UHFFFAOYSA-N 374.433 4.098 0 1 FIAF CCCCC[C@@H]1C[C@H](CCc2ccc(O)c(OC)c2)O[C@](C)(OC)O1 2356602618 GRAMTNLTPRHKHT-FUHIMQAGSA-N 352.471 4.408 0 1 FIAF CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)C[C@@H]1C=C(C)C(=O)O1 2356661462 CCBYKOUIUXULII-CQSZACIVSA-N 366.369 4.126 0 1 FIAF CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2 1553379 SNDFSBWQROTRLI-UHFFFAOYSA-N 366.505 4.237 0 1 FIAF CC1(C)CCc2cc3c(cc2O1)OC[C@@H]1c2cc4c(cc2O[C@@H]31)OCO4 1618218 BGWFJLDAZBGWOL-VLIAUNLRSA-N 352.386 4.129 0 1 FIAF biogenic CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cccc(Oc2ccccc2)c1 4563477 HAYXKGQPAYZVIE-RTWAWAEBSA-N 373.408 4.474 0 1 FIAF CCCc1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O 13744111 JBXMKBOTITZWQQ-UHFFFAOYSA-N 360.502 4.337 0 1 FIAF CC(C)N[C@@H](C)[C@@H](O)COc1ccccc1-c1nc2ccccc2s1 28766535 XLWHOSCPYSMBHS-YOEHRIQHSA-N 356.491 4.090 0 1 FIAF CCCN(CCC)[C@H]1COc2c(cccc2C(=O)c2ccccc2OC)C1 29342696 LSRCVTDWTWEDND-GOSISDBHSA-N 367.489 4.352 0 1 FIAF C[C@H](Cc1cc2cc(C(=N)N)ccc2o1)c1cc2cc(C(=N)N)ccc2o1 58533259 DOAHKSNQBVGBLZ-LLVKDONJSA-N 360.417 4.093 0 1 FIAF O=C(c1cnccn1)N1CCC[C@H]1c1ccc(-c2cccc(Cl)c2)nc1 72176708 VUTGVPBYFVEYNJ-IBGZPJMESA-N 364.836 4.169 0 1 FIAF CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82133387 BULJOBPTLVSSJU-IXDOHACOSA-N 366.509 4.154 0 1 FIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2OC)cs1 82195413 QJWIJRVDTRPRES-KRWDZBQOSA-N 373.522 4.094 0 1 FIAF CC(C)C[C@H]1CC(O)=C(C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1 100075867 DVDAPPSNQKTVOB-SFHVURJKSA-N 370.493 4.420 0 1 FIAF CCO[C@@H](c1ccc(Cl)cc1)[C@H](n1ccnc1)[S@](=O)C(C)(C)C 102001274 GOSHMJDRYBNRAC-NXHTTZLHSA-N 354.903 4.360 0 1 FIAF O=NCC1=NCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 169726195 NAYCFVHVLOMXNT-UHFFFAOYSA-N 353.266 4.095 0 1 FIAF CCCCS(=O)(=O)N[C@@H](c1nc2cc3ccccc3cc2[nH]1)C(C)C 586932191 BZTVFLMEUMSIDO-GOSISDBHSA-N 359.495 4.133 0 1 FIAF Fc1cc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2cc1Br 587016320 JWYSNYUQNYBEMQ-GFCCVEGCSA-N 368.231 4.440 0 1 FIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587070738 WEGNKVATNIMNII-VIFPVBQESA-N 360.772 4.430 0 1 FIAF Cc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1F 587168700 MRIATUVATJIFSN-UHFFFAOYSA-N 351.360 4.275 0 1 FIAF NC(=O)Nc1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587242645 WOIVEABMTFNRDM-UHFFFAOYSA-N 354.719 4.393 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)ccnc1Cl)O2 587377546 NKPOABBPMWVKMZ-LBPRGKRZSA-N 367.630 4.095 0 1 FIAF CC[C@H](C)n1nc(C)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417855 FFOZDXFMZHAHBQ-MEJLYAIRSA-N 360.841 4.313 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ncc(Cl)cc1Cl)[C@@H](C2)C3=O 587419229 KJKUQYYZUXEHTE-APPDUMDISA-N 350.201 4.060 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4cccc(Cl)c4)c1)[C@@H](C2)C3=O 587422775 ZUSDUAAIBTYSHA-OXJNMPFZSA-N 366.804 4.023 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1Br)[C@@H](C2)C3=O 587425506 DMKOFEKCPCULJC-SJCJKPOMSA-N 363.182 4.086 0 1 FIAF O=C(O)CC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531281 XVLLDCUHICCFEE-JOCHJYFZSA-N 350.414 4.291 0 1 FIAF O=C1C[C@H](CCc2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587536187 RMEXIMZRWIIHAE-KRWDZBQOSA-N 364.441 4.303 0 1 FIAF CC(C)C(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599941 JEIDFPDQGQUPGC-RXVVDRJESA-N 354.402 4.118 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccncc1Cl 587657572 XXEJJBAQLUECEZ-UHFFFAOYSA-N 351.768 4.240 0 1 FIAF CC[C@@]1(c2cccc(N)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587747046 OUKYHSMJPABGAA-VOJFVSQTSA-N 363.274 4.358 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccncc23)N1 587800598 BUQLHASQVAXXPG-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF CCCCCC[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587830176 TVLDMRWFMZZONH-PIGZYNQJSA-N 372.278 4.373 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)cs2)N1 587852742 IJLVWNSLBNQKPI-INWYIAFRSA-N 361.667 4.322 0 1 FIAF Cc1ccncc1[C@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962649207 ZQDHCUJOULRRGX-DHLKQENFSA-N 369.512 4.400 0 1 FIAF O=C1C[C@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(F)ccc2O1 962669050 OVUCTFRZXMOBAS-QHCPKHFHSA-N 359.400 4.191 0 1 FIAF Cc1ccc(C)c2nc(Cl)c([C@@H]3NCCc4c(C(=O)O)cccc43)cc12 963120933 HZVWMNAZPIJFGF-LJQANCHMSA-N 366.848 4.438 0 1 FIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C(=O)OCC)c1cc(F)ccc1F 963233494 UMSLGBPQHNKEIN-QRQCRPRQSA-N 373.443 4.428 0 1 FIAF COc1ccc(C(c2ccc(OC)cc2)[S@](=O)Cc2cncs2)cc1 1857555482 HSWOQDUPZXRKDS-RUZDIDTESA-N 373.499 4.199 0 1 FIAF CC1(C)C[C@@H](O)CCN1c1cc(-c2ccncc2Cl)nc2cnccc12 1857605035 LWGDBNBMMDOYAJ-ZDUSSCGKSA-N 368.868 4.085 0 1 FIAF O[C@@H](CNc1ccccc1)CNc1ccc(-c2nc3ccccc3o2)cc1 1857611990 NQVWSOQVKRIWCE-IBGZPJMESA-N 359.429 4.380 0 1 FIAF CCCOc1cc(O)c2c(c1)C=CCCC[C@@H](O)CCC[C@H](C)OC2=O 1857627600 VAKPJPSYYNEHCE-DOTOQJQBSA-N 362.466 4.455 0 1 FIAF COc1cc([C@H](C)c2ccc(OC(F)F)c(N)c2)cc(OC)c1OC 1857746246 BYFHLGYDURIZCG-SNVBAGLBSA-N 353.365 4.048 0 1 FIAF COC(=O)[C@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4CC(C)=C[C@]42CC[C@@]13C 2356834172 KLTZBLMGSVQGJW-FVOHPSJWSA-N 353.506 4.097 0 1 FIAF CC(=O)Oc1ccc(Cc2cocc2Cc2ccc(OC(C)=O)cc2)cc1 2382260277 FBKRDGPHIFTXHC-UHFFFAOYSA-N 364.397 4.312 0 1 FIAF Cc1ccc(Cl)cc1-c1cc(C(=O)N2CCc3ccccc3C2)[nH]n1 61895636 TXRLCSFJBOKCPG-UHFFFAOYSA-N 351.837 4.237 0 3 FIAF CC(C)CNC(=O)[C@@]1(C)CCCCCN1C(=O)c1cc2ccccc2s1 61929780 OFZQTNNQACNLCH-OAQYLSRUSA-N 372.534 4.448 0 3 FIAF CN(Cc1ccco1)c1nc(-c2ccc3c(c2)OCO3)nc2ccccc12 4265797 AJGHPYBNSXECNY-UHFFFAOYSA-N 359.385 4.255 0 1 FIAF CCOc1cc2c(c(OCC)c1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 5822694 JOEMROTWVNNROM-MFQVCDOASA-N 360.494 4.407 0 1 FIAF O=C(c1ccc(F)cc1)C1CCN(CC[C@@H]2Cc3sccc3C2=O)CC1 12356168 YJKQCYMQSRDUEQ-MRXNPFEDSA-N 371.477 4.227 0 1 FIAF C[C@@H](Cn1cc[nH]c1=O)c1ccc(OC(F)(F)F)c(OC2CCCC2)c1 13438856 QVWKYJCPMLPKOA-LBPRGKRZSA-N 370.371 4.200 0 1 FIAF COCc1ccc(-c2nn(Cc3ccccc3)c3cc4c(cc23)OCO4)o1 13864632 WVKNFUWQPIKZDA-UHFFFAOYSA-N 362.385 4.220 0 1 FIAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1cccc(OC)c1 26823222 SLHXCJDHRACRDL-WENBPLFZSA-N 373.449 4.143 0 1 FIAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1cccc(-c2ccccc2)c1 28459407 DZTDALPZDGMSOK-JRFVFWCSSA-N 357.453 4.402 0 1 FIAF CCCCC[C@H](O)[C@H](/C=C/[C@@H](CCCCCCCC(=O)O)OC)OC 33820471 NMFUHXXKMLKRGE-HLMIDSFGSA-N 358.519 4.329 0 1 FIAF Cc1ccc([C@H]2SCC(=O)N2c2ccc3c(C)cc(=O)oc3c2)cc1 49709450 JSEIGHOQRQTGAI-HXUWFJFHSA-N 351.427 4.188 0 1 FIAF Cc1ccccc1NC(=O)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C 58602581 ZNAZYSFHEFSLOP-GOSISDBHSA-N 352.434 4.300 0 1 FIAF COc1cc(-c2nnc(SCc3c(F)cccc3F)o2)ccc1O 84688720 HNDVWLLGVXBMPC-UHFFFAOYSA-N 350.346 4.021 0 1 FIAF C=Cn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 95579956 DZYLBHVHVUMDOC-VYALMSHHSA-N 368.452 4.186 0 1 FIAF Fc1ccc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)cc1Cl 96271406 KYCFTFONAZXNFF-UHFFFAOYSA-N 357.772 4.277 0 1 FIAF CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3o2)cc1=O 103240508 NIVRVFVVWWFNIB-UHFFFAOYSA-N 359.403 4.025 0 1 FIAF COc1cccc(CC(=O)Nc2nc(-c3ccnc(Cl)c3)cs2)c1 113835449 VFDUENSNKFWMNI-UHFFFAOYSA-N 359.838 4.048 0 1 FIAF Cc1onc(-c2ccccc2)c1COc1ccc(NC(=O)C(C)C)cn1 142696789 AQDSFWRZDWJAPF-UHFFFAOYSA-N 351.406 4.219 0 1 FIAF C[C@@H]1CNCc2c1oc1c(Cl)cc(S(=O)(=O)c3ccccc3)cc21 143409594 PQXKCQGOEWTAEH-LLVKDONJSA-N 361.850 4.126 0 1 FIAF C/C(=C\COc1c2occc2cc2ccc(=O)oc12)C[C@H]1C[C@H](C)C(=O)O1 169352650 BMQUJGNCCQWYLS-FHAOKNKQSA-N 368.385 4.206 0 1 FIAF O=[N+]([O-])c1cnc(Nc2ccccc2Cl)nc1Nc1cc(C2CC2)[nH]n1 203005715 ZAIXYKSMIWUXGX-UHFFFAOYSA-N 371.788 4.126 0 1 FIAF COC[C@@H](C)[C@@H](C)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1 299828496 JOAFMJSIGQRTTK-ZIAGYGMSSA-N 360.450 4.166 0 1 FIAF COc1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(Cl)c1O 587046406 RYAJUAIXAMZAKN-UHFFFAOYSA-N 358.703 4.496 0 1 FIAF Fc1cc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1-n1cccn1 587150856 FWTUSDGAVOPBJE-NEPJUHHUSA-N 354.335 4.437 0 1 FIAF Fc1cc2c(c(Cc3nc4cc(Cl)c(F)c(F)c4[nH]3)c1)OCOC2 587170523 BWZXGYZMOQPZQH-UHFFFAOYSA-N 354.715 4.091 0 1 FIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(C(F)(F)F)c2[nH]1 587173942 DKLJQRDPLYTWDR-CYBMUJFWSA-N 362.330 4.445 0 1 FIAF Cc1cncc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587184801 WQKHACLPOZSWHD-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF CC(=O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587217773 FRTPHJAJZJKWIO-OAQYLSRUSA-N 369.424 4.285 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)ccc(F)c1F)O2 587381611 KHQWVWXONKOTKM-CYBMUJFWSA-N 368.177 4.324 0 1 FIAF COc1cc2c3c(c1)O[C@](C)([C@@H]1CC=C(Br)CC1)[C@@H](C2)C3=O 587416726 DBHLQVVPJJJITB-CDNVCLAFSA-N 363.251 4.280 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Cl)ccc(C)c21 587460822 IKWIUCZEVPUEQP-HXUWFJFHSA-N 371.820 4.119 0 1 FIAF C[C@]1(c2ncccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543969 CVTFUFUMADBVNH-JXFKEZNVSA-N 367.788 4.318 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccccc1F 587569922 SYXWVEHOLAASDT-RBUKOAKNSA-N 350.345 4.104 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)nc2)N1 587706894 SKLLNINWUVDRDI-JDNHERCYSA-N 369.665 4.434 0 1 FIAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587726179 VULNFMCRIPJFMW-VVVCHXIZSA-N 368.221 4.360 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cn(C)nc3c2)N1 587758261 IGFDFGJYTLYFGX-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF COC(=O)Cc1ccccc1-c1nc2cc(C)c(Br)cc2[nH]1 587783399 QRWZPXJZOKZECM-UHFFFAOYSA-N 359.223 4.016 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3c[nH]nc23)N1 587791622 GQMQSJDNZXFRRO-MLCYQJTMSA-N 374.257 4.262 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccc(C)cc1C 587870445 ISRJKHWRUBRVBM-UHFFFAOYSA-N 367.424 4.457 0 1 FIAF COC(=O)c1ccnc2[nH]c(Cc3ccccc3Oc3ccccc3)nc12 587951020 VAOHJHZYPWJBIS-UHFFFAOYSA-N 359.385 4.128 0 1 FIAF Cc1sc2ncnc(N3CCC(Oc4ccc(Cl)nc4)CC3)c2c1C 653829357 JBLGPWXVCCOBBZ-UHFFFAOYSA-N 374.897 4.404 0 1 FIAF CC(C)(C)CC[C@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705442 NRDFZVKRPWUDKF-PBHICJAKSA-N 361.379 4.485 0 1 FIAF Cc1cc(C)nc(-n2cccc2[C@H]2NCCc3c(Cl)cc(Cl)cc32)n1 963105400 IXDZXIALZKNUDI-SFHVURJKSA-N 373.287 4.426 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cccn1-c1ccc(C)cc1 963606376 HMOVQKIUDJSWQP-HJPURHCSSA-N 362.473 4.427 0 1 FIAF CCOC(=O)/C=C/c1cccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c1 1772607847 MRHCHOKGZOOZCR-HULFFUFUSA-N 368.429 4.459 0 1 FIAF CCCCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cccnc21 1857556915 TZFLBZGGZTYULU-UHFFFAOYSA-N 366.509 4.320 0 1 FIAF CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Cl 1857605147 HRRJMIOCCADYTN-UHFFFAOYSA-N 373.261 4.007 0 1 FIAF O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)c(F)c1 1857637260 MPODRRWNTWVZPI-UHFFFAOYSA-N 364.823 4.013 0 1 FIAF Nc1cc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)ccc1O 1857651443 IZLPCNQZQKWOPJ-UHFFFAOYSA-N 365.332 4.057 0 1 FIAF CC(C)Oc1ccc(CCC(=O)N(C)C[C@H]2CCCN3CCCC[C@H]23)cc1 2356761422 GPWULONUYSOOOR-IFMALSPDSA-N 372.553 4.129 0 1 FIAF O=C(O)CCc1ccc(COc2cc(F)ccc2Br)cc1 2382219932 FROMBFNPGOZGFH-UHFFFAOYSA-N 353.187 4.184 0 1 FIAF Cc1nc2c(c(C)nn2C(C)(C)C)c(C)c1CCC(=O)N1CCCCCC1 6809026 ALEFSODNNLMAAN-UHFFFAOYSA-N 370.541 4.447 0 1 FIAF N=C(NCCCCCN1CCCCCC1)NCC12CC3CC(CC(C3)C1)C2 13809086 KGARYFZDSVTHOD-UHFFFAOYSA-N 374.617 4.363 0 1 FIAF O=C(CCCC[S@@](=O)Cc1ccccc1)c1ncc(-c2ccccn2)o1 14980056 YBEUSUFDLFUBLN-SANMLTNESA-N 368.458 4.039 0 1 FIAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccsc2)O[C@@H]1c1cccnc1 27755760 MNZKTVZKROTVFA-OBPSWUCTSA-N 359.447 4.357 0 1 FIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2c1cccc2C(F)(F)F 28964775 OXMKYONMECXXGJ-HNNXBMFYSA-N 360.339 4.391 0 1 FIAF O=C1C[C@@H]2c3ccccc3O[C@H]3c4ccc(O)cc4-c4c(O)cc(O)c1c4[C@H]23 43123273 QPKCEEFQPFTYIX-IJIZOXLDSA-N 372.376 4.371 0 1 FIAF biogenic COc1cc(OC)cc(-c2cc3cc4c(cc3o2)O[C@H](C(C)(C)O)C4)c1 72176490 NQUPJFXAERIMOG-FQEVSTJZSA-N 354.402 4.191 0 1 FIAF biogenic COc1cccc([C@H](C)NC(=O)c2sc(-c3ccncc3)nc2C)c1 73258341 ASMBMGMEQLFISS-LBPRGKRZSA-N 353.447 4.013 0 1 FIAF COc1cc2nncc(-c3ccc(NC4CCCC4)nc3)c2cc1OC 73310353 JFIGHLWYDPLRGL-UHFFFAOYSA-N 350.422 4.064 0 1 FIAF O=C(OC[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccs1)c1ccccc1 100909270 SPPHJQRBMCMDGZ-NAQWOJQHSA-N 365.498 4.471 0 1 FIAF CN1Cc2cc(N3CCOCC3)ccc2[C@@H](c2ccc3sccc3c2)C1 150226540 QLQQUDCJVQOCBW-OAQYLSRUSA-N 364.514 4.315 0 1 FIAF O[C@@H](CN1C=COC=C1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 169338111 AIHSLXNJVRREAU-NRFANRHFSA-N 366.367 4.488 0 1 FIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714110 KTLWATLWLZJCED-BUYGKUCFSA-N 372.553 4.174 0 1 FIAF CC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nsc(N)n4)cc23)n1 204772743 QFUUGLZHDZHSME-UHFFFAOYSA-N 351.435 4.118 0 1 FIAF O=C(NC1(c2ccc(Cl)cc2Cl)CC1)[C@H]1CCOc2ncccc21 205621966 CQACQEJBTZQGGL-LBPRGKRZSA-N 363.244 4.060 0 1 FIAF COc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1F 587005962 BWYCLCLPATWFTN-UHFFFAOYSA-N 360.186 4.393 0 1 FIAF Fc1cc2[nH]c([C@@H]3SCCc4sccc43)nc2cc1-n1cccn1 587037832 ZCMWGHHJBNPFQH-MRXNPFEDSA-N 356.451 4.328 0 1 FIAF CC[C@@H](Oc1ccccc1Cl)c1nc2c(S)nc(S)nc2[nH]1 587061212 CUEAFYRBHNZUIA-MRVPVSSYSA-N 352.872 4.114 0 1 FIAF Cc1cnc(Cl)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 587076911 OWTOPZCEOUXOTC-UHFFFAOYSA-N 374.231 4.408 0 1 FIAF CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@@H]1C 587106718 NNJMWBUMIYQZES-GUYCJALGSA-N 371.436 4.360 0 1 FIAF Cc1cc(-c2nc3c(C)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123253 COBFCOBBNNPHGA-UHFFFAOYSA-N 369.368 4.108 0 1 FIAF CCOc1cc(/C=C/c2nc3ccnc(OC)c3[nH]2)ccc1OC(F)F 587129721 FNJIATPXBFCAAD-FNORWQNLSA-N 361.348 4.137 0 1 FIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)c(F)cc2[nH]1 587164547 VWEZHKAGDYHPON-OAHLLOKOSA-N 366.209 4.255 0 1 FIAF Fc1cc2c(c(Cc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c1)OCOC2 587172111 VVWWTIZMOJDMRG-UHFFFAOYSA-N 370.277 4.317 0 1 FIAF C[C@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344504 GWFGQKNJMGUCCJ-RBBKRZOGSA-N 363.388 4.287 0 1 FIAF CC[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358002 PHGUEOQLRLAETN-UNMCSNQZSA-N 370.420 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(Br)cc1F)O2 587381560 IYLNTZMYFVASQT-MRXNPFEDSA-N 364.214 4.494 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3nc4ccccc4n3C)o1)O2 587391954 UTXNUKOHMIKXTG-HXUWFJFHSA-N 373.412 4.430 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1nc4ccccc4n1C(F)F)[C@@H](C2)C3=O 587418717 ANCYFEVIYJIIDF-FKIZINRSSA-N 370.355 4.103 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](CC(=O)O)c2ccccc21 587490018 QASFLJKMPDIABC-WHEQGISXSA-N 366.413 4.167 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCNc1ccccc12 587591115 BENPDBYBQZKOEK-REWPJTCUSA-N 373.408 4.455 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccccc1OC2 587614538 CHAORXSRILNSPS-OFNKIYASSA-N 374.392 4.118 0 1 FIAF CCOc1ccccc1OCc1nc2cccc(OC(F)(F)F)c2[nH]1 587780179 MUPCSDKECQBHSK-UHFFFAOYSA-N 352.312 4.439 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3nccc-3c2)N1 587801408 GAMHQIWRQAPOFP-FVMDXXJSSA-N 360.230 4.040 0 1 FIAF C[S@@](=O)c1ccc([C@@H](NC2CCC2)c2cc3cccnc3[nH]2)cc1Cl 653780336 BNOICVBXGBGNOO-IQGLISFBSA-N 373.909 4.185 0 1 FIAF COc1ccnc(Nc2cc(C)cc(-c3ccc(CCC(=O)O)cc3)c2)n1 1772646908 QLHQZLYEHCOBEP-UHFFFAOYSA-N 363.417 4.221 0 1 FIAF CC(C)c1nc(-c2nnc(C3CCN(C(C)C)CC3)o2)n2ccccc12 1857647483 PKLQGRKQTUEOLJ-UHFFFAOYSA-N 353.470 4.096 0 1 FIAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)C=C[C@@H](O)[C@@H]2C 2356541265 HZKKUYMQQTYDGZ-XJKSGUPXSA-N 356.418 4.250 0 1 FIAF CC(=CCCC1=C[C@@H](c2cc(O)ccc2O)OC1=O)CCC(=O)C(C)C 2356732869 CEINAMXDMPYDMG-FQEVSTJZSA-N 358.434 4.354 0 1 FIAF CC1=C[C@]2(C=C(C)[C@@H]3CC[C@]4(C)Oc5cc(C)c(O)cc5[C@H]2[C@H]34)OC1=O 2356801741 RRPHRPAMBSVQRA-KFPWLUIXSA-N 352.430 4.163 0 1 FIAF C[C@]1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1ccccc1Cl 61903477 BELZNYVOGURZNB-OAQYLSRUSA-N 365.864 4.491 0 3 FIAF COC(=O)N1Cc2ccnnc2C[C@H]1c1ccccc1-c1ccc(F)cc1 199735183 VQMHUWNZJCKXNA-FQEVSTJZSA-N 363.392 4.149 0 3 FIAF CC(C)OC(=O)C[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21 13610490 JOKFVLBMEGNQMY-ZLOUPJAZSA-N 372.505 4.177 0 1 FIAF CC(C)=CCC/C(C)=C/CCCCCC(P(=O)(O)O)P(=O)(O)O 13742036 YCVCYJHGGKYDRH-GXDHUFHOSA-N 368.347 4.311 0 1 FIAF in-vitro COc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1)C[C@H]2O 14762588 VLWJOYMOYMWONM-AEFFLSMTSA-N 356.418 4.172 0 1 FIAF biogenic CCCN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(O)cc1 28570111 NKFKEJAPUAPGDR-UHFFFAOYSA-N 359.369 4.016 0 1 FIAF CCCCc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1 28877826 ILDCULLLQBVTGV-UHFFFAOYSA-N 362.433 4.486 0 1 FIAF Oc1nc2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2o1 40791459 DPNXNSJFFDGJRR-UHFFFAOYSA-N 373.456 4.051 0 1 FIAF COc1cc(C[C@H]2c3cc(O)c(Cl)cc3CCN2C)c(OC)cc1C 45229555 ZNSZIIRJGKKCAF-KRWDZBQOSA-N 361.869 4.143 0 1 FIAF O=C(NCC1CCNCC1)c1ccccc1-c1ccc(Cl)c(Cl)c1 49034757 MKEDPXZPXYVNQK-UHFFFAOYSA-N 363.288 4.390 0 1 FIAF O=C1c2ccccc2-c2nccc3c(OCCN4CCCCC4)ccc1c23 71405087 LZRZFBQWWOJNLQ-UHFFFAOYSA-N 358.441 4.311 0 1 FIAF COc1ccccc1Cc1cc2c(N)nc(-c3ccc(C)o3)nc2s1 96907800 YGURUQQTVSHGEJ-UHFFFAOYSA-N 351.431 4.441 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100794226 IWSCITFBDCQRGG-MGQPZDERSA-N 350.499 4.479 0 1 FIAF CCN[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 102790082 JVUYQHDSVZWYKP-HSZRJFAPSA-N 351.859 4.232 0 1 FIAF COC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 169372271 MAQMGMISLYBNHO-UHEKWRCASA-N 372.505 4.385 0 1 FIAF CN(C)c1ccccc1Sc1ccc(I)cc1N 209738647 COBLYPQGPJLXQK-UHFFFAOYSA-N 370.259 4.091 0 1 FIAF O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H]1CCOc2ncsc21 220878965 UVQNMOMYIJWKRY-KRWDZBQOSA-N 366.442 4.118 0 1 FIAF COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(C)=C[C@H](O)[C@H]1C(C)(C)CCC[C@@]12C 238745865 ZEXMQNFNHJUMOQ-RJQCYMMPSA-N 350.499 4.011 0 1 FIAF O=c1c2c(oc3ccc(Br)cc13)-c1ccccc1OCCCO2 299859902 GCXFUGPENBMBLW-UHFFFAOYSA-N 373.202 4.384 0 1 FIAF Cc1cc(Br)cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 587153841 ANPDXWXBXPYZHK-SJKOYZFVSA-N 360.230 4.114 0 1 FIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(OC)cc4[nH]3)c2)c1 587234828 JBGPRHZELMNOIH-UHFFFAOYSA-N 371.440 4.189 0 1 FIAF CCc1ccc(N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)cc1 587395493 NDDJJUZTVVMHKE-UHFFFAOYSA-N 350.462 4.144 0 1 FIAF CCCc1c(O)ccc2c1O[C@](CNC(C)C)(c1ccccc1)CC2=O 587470074 LYAVUBZUFXDHQD-JOCHJYFZSA-N 353.462 4.203 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OC)cs1)CC2=O 587495354 QHDJOUSPQRAMJY-IBGZPJMESA-N 360.431 4.073 0 1 FIAF CCOC(=O)C1(C)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587521005 CFNSCTPVMTXNTH-UHFFFAOYSA-N 356.462 4.413 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2nccnc2c1 587586595 KUSVAGCZKZBBLW-SIKLNZKXSA-N 370.364 4.038 0 1 FIAF Cc1ccnc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587589397 VLAMONPLQPXSTR-KNQAVFIVSA-N 361.397 4.059 0 1 FIAF Cc1c(-c2ccc(OCC(F)F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648991 FXVXZVKRPRJTHC-UHFFFAOYSA-N 365.401 4.191 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COc2ccc(F)cc2)N1 587735753 UTKXRFRNGKIKQS-QGHHPUGFSA-N 368.221 4.382 0 1 FIAF CC(=O)C[C@]1(C2(C)CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814287 GQAOHWRWCDQFFC-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)C(=O)C2)N1 587823280 OVMSWGPDTQGIIS-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ncoc1C 587859557 ZRPOYRLAHOWBCV-UHFFFAOYSA-N 366.204 4.241 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cncc(Cl)n1 587863982 ANVGPHGMFUMNCB-UHFFFAOYSA-N 368.746 4.400 0 1 FIAF COC(=O)c1ccc2nc([C@H](C)c3ccc4cc(OC)ccc4c3)[nH]c2n1 587933989 CUNWORXUZQPKJU-GFCCVEGCSA-N 361.401 4.058 0 1 FIAF COc1ccc2c(c1)CCC=C2Cc1nc2cncc(Br)c2[nH]1 587935138 PXPZGFZPSKRKGJ-UHFFFAOYSA-N 370.250 4.301 0 1 FIAF CN1C(=O)C[C@H]2CN[C@](C)(c3cc4ccc(F)c(F)c4o3)c3cccc1c32 963033694 UGIAGLAUNVXHKT-QKVFXAPYSA-N 368.383 4.028 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]21CC(=O)C[C@H](c2ccccc2)C1 963270897 RVOPLYJZZOOTPH-YCRPNKLZSA-N 355.865 4.226 0 1 FIAF Cc1ccc(NC(=O)Nc2ccc3nc(Cc4ccccc4)nn3c2)cc1 1857608792 JIQYVQACTJSXKC-UHFFFAOYSA-N 357.417 4.273 0 1 FIAF C=C(c1ccc(OC(F)(F)F)c(N)c1)c1cc(OC)c(OC)c(OC)c1 1857636246 YUEYBTWRJBKAAV-UHFFFAOYSA-N 369.339 4.255 0 1 FIAF O=C1CS[C@H](c2ccccc2Br)N1c1ccc(Cl)cn1 2947571 REKPIJZVDZZFPG-CQSZACIVSA-N 369.671 4.276 0 3 FIAF O=C(NCC1CC1)[C@]1(C(F)(F)F)C[C@H](CCc2ccccc2)CCCO1 13829060 YWDHRKWQVZZSFH-LPHOPBHVSA-N 369.427 4.263 0 3 FIAF COc1cccc(-c2nccc(NCCc3c[nH]c4ccc(OC)cc34)n2)c1 4239326 FPFRMESVMCSVRP-UHFFFAOYSA-N 374.444 4.297 0 1 FIAF COc1cc([C@@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O 14641887 KBIHHHDCLJQNHG-RNOWOOBNSA-N 374.433 4.208 0 1 FIAF endogenous,in-man COc1cc(C(=O)O)ccc1COc1ccc(C(C)=O)c(O)c1CC(C)C 27897071 YAVDJSLWTAUQEW-UHFFFAOYSA-N 372.417 4.079 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3c(C)cccc23)c(C)c1 28820777 WARGUMLXSXFEQS-KRWDZBQOSA-N 370.518 4.311 0 1 FIAF CC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C)cc1 28823238 OSHRDPYOVIJFMF-AWEZNQCLSA-N 367.898 4.135 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 29336432 IWSCITFBDCQRGG-XSQGUIFESA-N 350.499 4.479 0 1 FIAF C[C@@H]1C[C@](C)(S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c2O1 49070697 CVWYRNIWVBKSMC-QGHHPUGFSA-N 372.820 4.478 0 1 FIAF O=C(N[C@H](C/C=C/c1ccccc1)C(=O)O)c1cc2ccccc2s1 49073322 REUFOGSFHNTINT-YXMGTMDOSA-N 351.427 4.188 0 1 FIAF CCc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCC(C)C)n2)cc1 82191983 BXFKJXJATHGBME-SFHVURJKSA-N 357.523 4.114 0 1 FIAF COc1ccc(Oc2nc(Cl)ccc2I)cc1 84733951 HPNDHBWOZMOVDD-UHFFFAOYSA-N 361.566 4.141 0 1 FIAF Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CC(C)C)nc2n1 113424273 ZCRPYEJGUQZENR-UHFFFAOYSA-N 374.492 4.046 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CNC(=O)CC[C@]34C)[C@@H]1CC=C2n1ccnc1 169274718 RDVYZIPWPFPHCW-CSOYKPOESA-N 353.510 4.103 0 1 FIAF O=C1c2ccc(F)cc2C[C@H]1CCN1CCN(c2ccc(Cl)cc2)CC1 169350270 JLUQWCZYPJKNMK-OAHLLOKOSA-N 372.871 4.046 0 1 FIAF CC1=N[C@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1CC21CCC1 169708690 MKLSHCVZEOAEFB-FQEVSTJZSA-N 350.853 4.113 0 1 FIAF CN1c2ccc(F)cc2C(=O)N2CCn3c(cc4cc(Cl)ccc43)[C@@H]21 221966933 MQTJWWGBZFQRFR-GOSISDBHSA-N 355.800 4.038 0 1 FIAF O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586900487 CPYQREQPOVXWEE-NQIIRXRSSA-N 354.409 4.363 0 1 FIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc(F)c2[nH]1 587002373 ZESWRMVOHNGALZ-ZDUSSCGKSA-N 373.229 4.188 0 1 FIAF Fc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1F 587082349 OVFFTWMXILMHRO-UHFFFAOYSA-N 360.751 4.395 0 1 FIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cn1 587247125 HMQYLUIUHIVZAA-UHFFFAOYSA-N 364.236 4.311 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCOc4c(C)cc(Cl)cc41)[C@@H](C2)C3=O 587422451 PXYDAUMKBJCEDD-YCRPNKLZSA-N 370.832 4.473 0 1 FIAF CCc1ccc(-c2cnc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587435850 JLCPRMYTYSLLCR-IERDGZPVSA-N 361.397 4.401 0 1 FIAF CCCN1CCCc2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 587444427 OWODQLFMUKVKNY-JPYJTQIMSA-N 363.457 4.347 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc(CN4CCCC4)cs1)[C@@H](C2)C3=O 587452250 NRLRBKOCJLXIKK-KKSFZXQISA-N 369.486 4.015 0 1 FIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)cc(Cl)c12 587503302 DTPVTKDQNCTSGC-FQEVSTJZSA-N 371.795 4.171 0 1 FIAF O=C1C[C@@H]([C@@H]2CCN(Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587512828 FWAWGUACDGZKQG-XXBNENTESA-N 361.485 4.421 0 1 FIAF O=C1C[C@H](c2ccnn2[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 587517289 KJOFQNUPXGVWEH-UXHICEINSA-N 352.434 4.168 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)C1CC1 587588836 SMHKZXOUUDSDRI-KNQAVFIVSA-N 359.381 4.054 0 1 FIAF Cc1ccccc1OC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597704 ZTNJPNZJVOGUAC-UXHICEINSA-N 362.381 4.110 0 1 FIAF C[C@@H]1CC(C)(C)CC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603315 LWCYBWYEALMCOH-CBJTVTONSA-N 366.413 4.118 0 1 FIAF CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1ccccn1 587643276 CMUKIFIGBARIOL-ZDUSSCGKSA-N 350.418 4.484 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCN(C)C)N1 587738553 BBQLGRAWLNPKPF-SJKOYZFVSA-N 357.311 4.070 0 1 FIAF Cc1cccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc12 587771734 CMUQASKPQAYGKW-PIGZYNQJSA-N 374.257 4.168 0 1 FIAF CC[C@H](CCC(=O)OC)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587807185 LJXUSMJYJWFTCQ-WVQJBOLRSA-N 372.278 4.143 0 1 FIAF Cc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1C 587923936 TUQQXIHSLWKGCM-UHFFFAOYSA-N 372.515 4.490 0 1 FIAF CCOc1cc([C@H]2NCCc3ccc(F)c(C)c32)ccc1OC(F)F 962091054 KVELCGQCLXYTNI-GOSISDBHSA-N 351.368 4.369 0 1 FIAF Cc1ccc(C)c([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1 962706915 JWGJUNSPAMUZFP-DLBZAZTESA-N 367.342 4.150 0 1 FIAF COc1ccc2cc(-c3csc(N4CCC(C)(N)CC4)n3)ccc2c1 1772649940 HCZCGACUKSRMOK-UHFFFAOYSA-N 353.491 4.290 0 1 FIAF Cc1c(Cc2c(F)cc(C(F)(F)F)cc2F)c[nH]c1C(=O)NC1CC1 1911574759 YHSWRCAIUNCEPI-UHFFFAOYSA-N 358.310 4.103 0 1 FIAF CC(=O)OC[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1 2356657989 ANGIGDFEXLRLRW-TZEULACYSA-N 372.461 4.071 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4Cc5cnoc5N[C@@]4(C)CC[C@H]32)C1 5711820 OEKPCRMLGNUUCU-QFJIJFTOSA-N 370.493 4.496 0 1 FIAF COc1ccc([C@H]2C(=O)c3ccc(OC)cc3O[C@H]2c2cccnc2)cc1 13220575 QBKCEPIJQDHOSD-UNMCSNQZSA-N 361.397 4.199 0 1 FIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)COC2 13761422 AEYXBENLNPAYSV-SFHVURJKSA-N 351.490 4.320 0 1 FIAF COc1c(O)ccc2c1OC[C@H]1c3ccc4c(c3O[C@H]21)C=CC(C)(C)O4 14650503 JQFXBCOZQHXLQX-KBXCAEBGSA-N 352.386 4.195 0 1 FIAF endogenous,in-man O=C1Nc2ccc(F)c3c(S[C@@H]4CCCN4)cc(-c4ccc[nH]4)c1c23 14947121 CZPOLKWPNYHSGW-OAHLLOKOSA-N 353.422 4.341 0 1 FIAF CCn1c(-c2ccc(NC(=S)NC3CCCCC3)cc2)n[nH]c1=S 29413411 KUFXXIRSCBHYJS-UHFFFAOYSA-N 361.540 4.247 0 1 FIAF COc1cc([C@H]2OC[C@@H](CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)O2)ccc1O 35966713 ZOGKSXQLOOQXFG-CUEXMPOTSA-N 364.482 4.292 0 1 FIAF endogenous,in-man CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(N(C)C)c2)s1 73161277 SCLYQMVZOZGIRE-UHFFFAOYSA-N 366.486 4.459 0 1 FIAF COc1cc2nc(N3CCCC3)nc(NCC3CCCCC3)c2cc1OC 82119575 MOWWHLNZNSFVSW-UHFFFAOYSA-N 370.497 4.239 0 1 FIAF CCOC(=O)[C@@]12C[C@@]1(CCc1ccccc1)c1cc(Cl)ccc1NC2=O 101055638 CPIBELMJSWEDPO-SFTDATJTSA-N 369.848 4.116 0 1 FIAF COC(=O)c1c[nH]n2c(NC3CCCCCC3)c(-c3ccc(F)cc3)nc12 136566837 CXZMAAUMRBCTTK-UHFFFAOYSA-N 370.428 4.390 0 1 FIAF C[C@@]1(c2cccc(N[C@H]3CCc4cc(Cl)ccc43)c2)COCC(N)=N1 142996231 BIQLWJAOBRCFDO-ICSRJNTNSA-N 355.869 4.042 0 1 FIAF C[C@@H](c1ccc(Br)cc1)N1CCC2(CCC(O)CC2)CC1=O 146424921 SLBPYUHSIKUGOW-BELGNNRLSA-N 366.299 4.054 0 1 FIAF O=c1[nH]ccc2[nH]c(-c3cccc4ccc(Nc5ccccc5)nc34)nc12 222367259 DCLLXJAPIKAKPL-UHFFFAOYSA-N 353.385 4.210 0 1 FIAF O=C1C[C@H](Sc2ccc(F)c(Cl)c2)N1C(=O)NCc1ccccc1 299867643 QLUQLXBPYSWDDU-INIZCTEOSA-N 364.829 4.039 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c([C@H](O)[C@H](C)c3ccc(C)cc3)nc2c1 586891138 SUWNYVQWEZTWFV-PIGZYNQJSA-N 358.825 4.148 0 1 FIAF COc1ccc(C=O)c2cc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)oc12 586903679 LBMMAHNPYFTUQW-UHFFFAOYSA-N 362.172 4.499 0 1 FIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587043686 UEVHAWDXFFUWEM-LLVKDONJSA-N 358.294 4.490 0 1 FIAF CCOC(=O)C1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC1 587096697 GLINJYDJBYYVBI-UHFFFAOYSA-N 357.409 4.349 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587153687 YSGJYKNNSBIOMM-UHFFFAOYSA-N 366.417 4.440 0 1 FIAF C[C@]1(c2nc3cccc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 587154295 DAIDVTCEKAVWRX-QGZVFWFLSA-N 374.213 4.256 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(Br)c2C[C@H]1C 587372716 QYCMBJBFSVQFLA-NSPYISDASA-N 372.262 4.393 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3cc(C)c(Cl)cc3c1=O)O2 587379302 HOPWYSIVMLSJRY-SFHVURJKSA-N 369.804 4.352 0 1 FIAF COc1ccc(Cn2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587390921 OTXCJVMHHOKJRN-NRFANRHFSA-N 362.429 4.142 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1csc(Br)c1)O2 587408507 CCYWWBBLXKOGRZ-OAHLLOKOSA-N 352.253 4.282 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccc(C=O)cc1)(C1CCCC1)[C@@H](C2)C3=O 587444091 CDBWEDZQEWYKSH-WMZHIEFXSA-N 362.425 4.341 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(cnn3C(C)C)c1)CC2=O 587474927 IJWZXSFBHMIWCE-LJQANCHMSA-N 365.433 4.377 0 1 FIAF Cc1cccn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 587585774 GCTGCUQTDSDRIQ-NQIIRXRSSA-N 372.380 4.051 0 1 FIAF CCn1cccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755743 QJPSFNVVFJTKBY-DIFFPNOSSA-N 351.263 4.207 0 1 FIAF CCC[C@]1(CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800232 WERPVHVORCKCHG-APPDUMDISA-N 372.278 4.071 0 1 FIAF Cc1cc(O)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587830535 CUVGEXUGPMXNNA-ZMZPIMSZSA-N 364.258 4.400 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1CCN(C)CC1 587866753 OMMIRUAGRZNKJO-UHFFFAOYSA-N 353.388 4.234 0 1 FIAF Nc1c(Br)cccc1-n1c(O)cc(-c2cccc(F)c2)c1O 587936487 TTYFVDBZKBIPFY-UHFFFAOYSA-N 363.186 4.039 0 1 FIAF COC(=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 587956110 UKRCLJKAESCLQP-QGZVFWFLSA-N 357.413 4.119 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1cc(F)c3[nH]ccc3c1)N(C)[C@@H](C)C2 962625773 JWLKNQJPZADINO-QKVFXAPYSA-N 354.425 4.290 0 1 FIAF CC(C)Cn1ccnc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962715292 SZFNFQIQNRIZSS-BEFAXECRSA-N 359.514 4.131 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c(Cl)cccc1N(C)C 963612125 RYCHHCSSTIEEOQ-ODXCJYRJSA-N 360.885 4.047 0 1 FIAF CC(C)CCNC(=O)c1cccc(NC(=O)N2Cc3ccccc3C2)c1 1772635561 FPYOYWNBVSZFRP-UHFFFAOYSA-N 351.450 4.010 0 1 FIAF CCOc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1F 1857576492 KSQOHSLLCBGCJB-UHFFFAOYSA-N 366.356 4.038 0 1 FIAF COc1ccccc1N1CCN(CCOc2ccc3ccccc3c2)CC1 1857656527 FWADLYFJIKOICC-UHFFFAOYSA-N 362.473 4.049 0 1 FIAF CC(C)=CCn1c2ccccc2c2c(OC[C@H](O)CNC(C)C)cccc21 2382221505 ZVBXJOSESQMPAV-GOSISDBHSA-N 366.505 4.498 0 1 FIAF Cc1cnc(C)c(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)n1 61908753 YRXDOYCZDSNIJE-AWEZNQCLSA-N 359.886 4.189 0 3 FIAF N[C@@H](c1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 61927806 KIHLIQOMTIAFCL-AWEZNQCLSA-N 350.369 4.349 0 3 FIAF CCCCNC(=O)c1nc2cc(C)c(C)cc2nc1-c1ccc(OC)cc1 206063393 QKLOQMHREBCSIJ-UHFFFAOYSA-N 363.461 4.452 0 3 FIAF FC(F)(F)c1ccccc1-c1ccc2ncnc(NC3CCNCC3)c2c1 4267272 LJHQKSIEWYRQNS-UHFFFAOYSA-N 372.394 4.480 0 1 FIAF OCc1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1 13472533 OXDOLEPGFYPERU-UHFFFAOYSA-N 371.396 4.027 0 1 FIAF Cc1ccccc1/C(=C/OCCN1CCC[C@@H](C(=O)O)C1)c1ccccc1 13800072 ZSIQABNOIRNWDY-LCMCWVSWSA-N 365.473 4.197 0 1 FIAF O=C1Oc2cc3occc3cc2[C@H]2[C@H]1[C@@H]1C(=O)Oc3cc4occc4cc3[C@H]12 14682339 ZNCWXXJTDDGKHO-JVSBHGNQSA-N 372.332 4.130 0 1 FIAF biogenic C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)c1c[nH]cn1 26983236 AQOMKZOLSRMOLZ-AAPKDCIVSA-N 354.494 4.129 0 1 FIAF CC(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 27523469 FFQVDRITTCXBHI-ZWKOTPCHSA-N 366.244 4.318 0 1 FIAF CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2Br)C1 36238007 YFZYRKUTAITPML-CQSZACIVSA-N 366.686 4.428 0 1 FIAF CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Oc2ccccc2)cc1 40938497 JDYIMYZYEPQLHV-RTWAWAEBSA-N 373.408 4.474 0 1 FIAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@H]1CC12CCCCC2 45298890 MUBBINBGCICILP-HXUWFJFHSA-N 366.505 4.127 0 1 FIAF CCc1ccc2[nH]cc/c(=N\C(=O)Nc3cccc(C(F)(F)F)n3)c2c1 63540305 ZIVDOOQUJQJBDA-UHFFFAOYSA-N 360.339 4.277 0 1 FIAF CC(C)c1csc(-c2nnc3n2N[C@@H](c2ccc(F)cc2F)S3)n1 64447677 VVVROAQXPQVOEK-CYBMUJFWSA-N 365.434 4.151 0 1 FIAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4cccc(O)c4)cc3)[nH]c2c1 64528082 RZPKBRSPYLDGMK-UHFFFAOYSA-N 364.426 4.006 0 1 FIAF Cc1cc(OCCc2nc[nH]c2C)cc(C(=O)N(CC(C)C)CC(C)C)c1 66077602 FSUNXNHRKVICQU-UHFFFAOYSA-N 371.525 4.402 0 1 FIAF c1nc(NCC[C@@H]2CCCO2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 66138673 AXGRTOLQCBIWOO-INIZCTEOSA-N 363.417 4.007 0 1 FIAF Cc1cccc(Cl)c1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C 95565309 DHPVDIICCPXXID-UHFFFAOYSA-N 367.880 4.310 0 1 FIAF N=c1ccn(CCCCCn2ccc(=N)c3ccccc32)c2ccccc12 138571401 SFEABSNLLLHVKE-UHFFFAOYSA-N 356.473 4.425 0 1 FIAF O=C(c1nc2ccccc2[nH]1)N1CC(c2ncc(F)cc2-c2ccccc2)C1 140156704 CFVRKVUSYXYJIL-UHFFFAOYSA-N 372.403 4.004 0 1 FIAF CC1=C[C@@H](C/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)OC1=O 238736969 CCBYKOUIUXULII-IMBBRHANSA-N 366.369 4.126 0 1 FIAF C[C@@H]1CC[C@@H]2[C@H](CCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 253791464 SGGGMRQESKILIB-HBKRCHSNSA-N 370.489 4.466 0 1 FIAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(F)cc2[nH]1 586984501 RQAABGGRSGGXLM-GFCCVEGCSA-N 368.637 4.360 0 1 FIAF NC(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587095416 YCINXNPBQZPEBB-UHFFFAOYSA-N 373.256 4.366 0 1 FIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(F)c(F)c2[nH]1 587235012 CAXTZDUVLDSNNE-ZYHUDNBSSA-N 351.397 4.392 0 1 FIAF C[C@]1([C@@H]2CCCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361038 XGFBYNRFAZQVKZ-XWRIVVANSA-N 356.393 4.076 0 1 FIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(C)C 587398050 AGHDQZZTOZIUOI-IBGZPJMESA-N 355.434 4.327 0 1 FIAF CSc1ccc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(O)nc2c1 587409747 JIHJJCAVMKLXQL-GOSISDBHSA-N 366.442 4.259 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OC)cc1Cl)[C@@H](C2)C3=O 587423264 UQNWRUVUNVFLFD-VOJFVSQTSA-N 365.212 4.499 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCN(Cc3ccccc3)CC1)CC2=O 587474202 FOSFCQLUXMJOKS-UHFFFAOYSA-N 365.473 4.345 0 1 FIAF O=C1C[C@@](c2ccccc2)(C2(C(=O)O)CC2)Oc2c1ccc1c2CCCC1 587529847 QORYMYPQCQLXHX-HSZRJFAPSA-N 362.425 4.291 0 1 FIAF CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2c(C(=O)O)cccc12 587637545 CIYYNDPFPNNWDO-UHFFFAOYSA-N 357.793 4.287 0 1 FIAF Cc1nn(C(C)C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587763771 MHCHDKMTJICCHK-QGHHPUGFSA-N 366.278 4.298 0 1 FIAF Cc1ccn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc2c1 587772198 DWWTVCGPUYZJRP-ADLMAVQZSA-N 374.257 4.168 0 1 FIAF CCC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 587835210 OEENZLOUFBVDLY-BZNIZROVSA-N 356.279 4.370 0 1 FIAF O=C(O)Cc1ccc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 587960857 GBLCLQGMVWRREX-UHFFFAOYSA-N 370.408 4.012 0 1 FIAF CCOCc1ncc([C@@H]2c3ccsc3CCN2Cc2cccn2C)s1 962374194 OUPYRCDYAZKROS-IBGZPJMESA-N 373.547 4.227 0 1 FIAF CC(=O)[C@@H]1CCC[C@@]12c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962626475 GYOBGULUEXMQBF-FIXSFTCYSA-N 360.501 4.018 0 1 FIAF O=C1C[C@@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(F)ccc2O1 962669046 OVUCTFRZXMOBAS-HSZRJFAPSA-N 359.400 4.191 0 1 FIAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(CCCC23CCCC3)N1 962723117 YJTVMGWKVCQWFE-YJBOKZPZSA-N 371.374 4.383 0 1 FIAF COc1ccc2c(c1)C(C)(C)C[C@@]21NCCc2cc3cccc(OC)c3nc21 963029611 DQTGRVZQUXKSGI-XMMPIXPASA-N 374.484 4.323 0 1 FIAF COc1ccccc1[C@@]1(c2ncco2)c2c(F)cccc2C[C@H]2CCCN21 963095694 CZPYFTXSDVZHMC-ZHRRBRCNSA-N 364.420 4.135 0 1 FIAF CN1Cc2c(C3=C[C@H]4CC[C@@H](C3)N4)[nH]c3nccc(c23)-c2cc(F)ccc21 1772597902 UQWVCOXGMZOGMW-CABCVRRESA-N 360.436 4.227 0 1 FIAF COc1c(C)cccc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772620590 WZLSJHWPORLIPW-KRWDZBQOSA-N 355.365 4.404 0 1 FIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(cccc3OC(C)C)C2)cc1 1772649805 AIOXQXYWPBSIFN-KRWDZBQOSA-N 366.505 4.229 0 1 FIAF COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC2 1857647844 YJNFXKFOYBRVEF-ZSEKCTLFSA-N 372.461 4.444 0 1 FIAF CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 5459685 QTTRZHGPGKRAFB-WEGHLOLESA-N 370.533 4.497 0 3 FIAF world Cc1ccncc1-c1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1 3814805 HXDJUAFXVNSSAP-UHFFFAOYSA-N 358.850 4.176 0 1 FIAF CCC(=O)Nc1ccc(OCCCNC(C)C)c(Cc2ccccc2)c1 13743791 HWLIVMUCSVPXMX-UHFFFAOYSA-N 354.494 4.393 0 1 FIAF CCCCn1c(S)nnc1-c1sc(SC)c2c1CCCC2=O 28357472 HESULBSXMJWVEC-UHFFFAOYSA-N 353.538 4.336 0 1 FIAF O=S(=O)(Oc1ccc(Cl)cc1)c1ccc2[nH]c3ccncc3c2c1 40877678 DVZSBCJGKJDENR-UHFFFAOYSA-N 358.806 4.137 0 1 FIAF CCCc1nc2c(C)cccc2n1Cc1ccc(OCC(=O)OCC)cc1 45246036 QESIQOCAEDTNEI-UHFFFAOYSA-N 366.461 4.287 0 1 FIAF Cc1nc(NC(C2CC2)C2CC2)c2nc(C)n(-c3ccc(F)cc3)c2n1 72123178 NWLOFQGUPKERLA-UHFFFAOYSA-N 351.429 4.172 0 1 FIAF Cc1cc(OCCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1 95552287 CKFICICIBJLUOG-UHFFFAOYSA-N 354.281 4.352 0 1 FIAF CC(C)(C)C1=NN(C(=O)c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C1 95552894 MSCYMAVMIFLSDC-MRXNPFEDSA-N 350.418 4.405 0 1 FIAF CC[C@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100799499 HRZJJXGXZVSRIB-ZQIUZPCESA-N 353.915 4.379 0 1 FIAF CCCC[C@@H](O)C1=CC[C@@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@@H]3C1 100962742 DJYWGBMTZMYDEB-WBADGQHESA-N 355.522 4.081 0 1 FIAF COc1ccccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 139349814 NIJZAEZMLVBGDT-UHFFFAOYSA-N 368.440 4.304 0 1 FIAF Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)NCCC(C)C)cc1)C2 167575722 XCERNPXCOVQDTG-UHFFFAOYSA-N 365.477 4.319 0 1 FIAF O[C@@H](CCN1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1 200625651 LVJMCCQSYUPJIH-DEOSSOPVSA-N 360.501 4.081 0 1 FIAF CC1(C)C=Cc2c(ccc3c(=O)n4c(nc23)-c2[nH]c3ccccc3c2CC4)O1 238778752 CJGFOGYKZZIKCB-UHFFFAOYSA-N 369.424 4.285 0 1 FIAF CCS(=O)(=O)c1cccc(Cc2nc3cccc(C(C)(C)C)c3[nH]2)c1 586921739 MCHPBMHZPCEDPL-UHFFFAOYSA-N 356.491 4.245 0 1 FIAF O=C1c2ccccc2-c2cc(-c3cn4c(n3)CCCC4)nc3ccc(O)c1c23 586988201 MTUPELLNPHZNLD-UHFFFAOYSA-N 367.408 4.352 0 1 FIAF COC(=O)c1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2c1OC 587015831 CLDODPRHBMEVFC-UHFFFAOYSA-N 369.402 4.050 0 1 FIAF Cc1cc(Cl)ccc1OCCCc1nc2cc(C(=O)O)c(F)cc2[nH]1 587065919 FDZUXBWAWPDIQY-UHFFFAOYSA-N 362.788 4.374 0 1 FIAF N=c1ncc(-c2cccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)c[nH]1 587254533 LRFGURBWKCBZIZ-UHFFFAOYSA-N 373.313 4.257 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccccc1Cl)O2 587379064 RQPXAAVADIECBP-QGZVFWFLSA-N 353.809 4.327 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1csc(Br)c1)O2 587408505 CCYWWBBLXKOGRZ-HNNXBMFYSA-N 352.253 4.282 0 1 FIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587570674 XBRNAOZCBUYTST-WIYYLYMNSA-N 366.344 4.243 0 1 FIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1C 587592159 IIHUAFUNPTWCKU-DENIHFKCSA-N 362.381 4.412 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2F)N1 587725544 QWBDCPZQAMNVQB-BCTVWOGZSA-N 354.194 4.057 0 1 FIAF CC[C@]1(c2cccc(N)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587748354 WMABMEUJYWZHHQ-ADLMAVQZSA-N 363.274 4.358 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(C)(C)C)(C(=O)O)N1 587827960 MOEWDQLINXTLTP-BTDLBPIBSA-N 372.278 4.229 0 1 FIAF Clc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 653730601 YDZDCNNFRHUVAO-SFHVURJKSA-N 356.853 4.101 0 1 FIAF CC1=C(C)[C@@]2(CC1)N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962929312 TVEBVWVVUNGJGQ-RBBKRZOGSA-N 365.429 4.109 0 1 FIAF COc1ccc(COc2ccc(-c3ccc(O)c(C(=O)O)c3)cc2)cc1 1857538223 XRBMQWDSNNIIGE-UHFFFAOYSA-N 350.370 4.345 0 1 FIAF COc1cc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)cc(OC)c1OC 1857571890 MNPHYPWHKQVMFZ-UHFFFAOYSA-N 370.449 4.230 0 1 FIAF COc1cc(C)c(CC[C@](C)(O)C=Cc2cc(O)ccc2O)c(C)c1C 2356579774 JEYHRQCMOMICDC-JOCHJYFZSA-N 356.462 4.429 0 1 FIAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4CC(C)=C[C@]42CC[C@@]13C 2356834173 KLTZBLMGSVQGJW-IPVLWXBJSA-N 353.506 4.097 0 1 FIAF FC1(F)CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1 2382231263 FIDMRJAYXPNROT-UHFFFAOYSA-N 366.375 4.095 0 1 FIAF COc1cc([C@H](O)c2nc(-c3ccc(F)cc3OC)cs2)ccc1F 61906315 GQTOESWNQKUZNA-KRWDZBQOSA-N 363.385 4.187 0 3 FIAF Cc1cccc(NC(=O)Nc2nc3ncccn3c2-c2ccc(F)cc2)c1 203466189 GDWSTISBLKCJLM-UHFFFAOYSA-N 361.380 4.488 0 3 FIAF CC1(C)CCc2cc3c(cc2O1)OC[C@@H]1c2cc4c(cc2O[C@H]31)OCO4 1618217 BGWFJLDAZBGWOL-JLTOFOAXSA-N 352.386 4.129 0 1 FIAF biogenic CCN(CC)CCOC(=O)c1cc2ccccc2n1Cc1ccccc1 1654521 ICKNGNRDQQLPMM-UHFFFAOYSA-N 350.462 4.188 0 1 FIAF Cc1ccc(CN2CCC(CCN(C)C(=O)c3ccccc3)CC2)cc1 13745768 IMZLIYPBEGLOIQ-UHFFFAOYSA-N 350.506 4.369 0 1 FIAF COc1c(O)c(CC=C(C)C)c(O)c2c1O[C@@H](c1ccccc1)CC2=O 14819381 IMGRRXXTMXIKTA-MRXNPFEDSA-N 354.402 4.322 0 1 FIAF biogenic COc1cc2ncnc(N(C)c3cccc(C(F)(F)F)c3)c2cc1OC 27419733 PNFNUKCRDMUSSD-UHFFFAOYSA-N 363.339 4.434 0 1 FIAF OCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 28817126 RTQDVBYPQLEWTK-UHFFFAOYSA-N 373.496 4.252 0 1 FIAF CN(C)c1ccc(-c2cnccc2[C@@H]2SCC(=O)N2C2CCCC2)cc1 28819673 PDMAYPLGNFUROW-NRFANRHFSA-N 367.518 4.331 0 1 FIAF C[C@H]1N=C(S)N(Nc2cccc(Cl)c2)[C@H]1c1cccc(C(=O)O)c1 29331029 RMOFMQVZKGSODY-MEBBXXQBSA-N 361.854 4.096 0 1 FIAF CCCN(C=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 36189584 XHPVQFBYVYPXDZ-FIONBPGRSA-N 374.569 4.087 0 1 FIAF Cc1cccc(COc2cc(-n3cnc4ccccc43)sc2C(N)=O)c1 40378960 UGQFNSQKIGSKJD-UHFFFAOYSA-N 363.442 4.073 0 1 FIAF COP(=O)(OC)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 103210600 QZPMGNLLWAYTGW-BDAKNGLRSA-N 371.153 4.136 0 1 FIAF CCSc1nc2n(n1)[C@@H](c1ccncc1)C1=C(O)CC(C)(C)CC1=N2 103669346 KBPSFQNQYQIZMG-HNNXBMFYSA-N 355.467 4.093 0 1 FIAF COc1ccc(C2=NN(C3CCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1Cl 146987418 HZXQJGPDTRZCNX-HOTGVXAUSA-N 358.869 4.420 0 1 FIAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1cnc2ccccc2c1 167057300 UKRFQZGXINBUFF-SFHVURJKSA-N 362.429 4.116 0 1 FIAF COc1cccc([C@H]2CCCN2Cn2c(=O)oc3cc(Cl)ccc32)c1 169341761 NABQYFMDXCPYDT-MRXNPFEDSA-N 358.825 4.051 0 1 FIAF CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2c2cc([C@@H]3C[C@H](C)C(=O)O3)n3c2[C@@H]1CCCC3 169639297 RFGMIDHPFYCJDM-CONZVTBHSA-N 371.477 4.065 0 1 FIAF Oc1cccn(Cc2ccc(Cn3cc(-c4ccccc4)nn3)cc2)c1=S 169687795 APGDWCBKLVXBPR-UHFFFAOYSA-N 374.469 4.278 0 1 FIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1ccc(-c2ccccc2)cn1 203323154 MEEYXVYAMZOTFR-FQEVSTJZSA-N 360.413 4.003 0 1 FIAF C[C@@H]1CC[C@@H]2[C@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32O4 253791460 SGGGMRQESKILIB-FWDIBVBWSA-N 370.489 4.466 0 1 FIAF O=C(O)Cn1c(=O)c(-c2cc3ccccc3s2)nc2ccc(Cl)cc21 299870748 WXNUQJFVWCCPGX-UHFFFAOYSA-N 370.817 4.016 0 1 FIAF Cc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Br 586908741 QQHMAGCDFHKUDD-UHFFFAOYSA-N 357.207 4.272 0 1 FIAF Cc1ccc(C)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc12 587043759 USIGJHJLWFTMLB-CQSZACIVSA-N 357.866 4.489 0 1 FIAF CCCc1nc(-c2nc3cc(C(C)=O)ccc3[nH]2)nn1-c1ccccc1F 587155271 CTQWKKPLRDWOBK-UHFFFAOYSA-N 363.396 4.105 0 1 FIAF O=C1c2ccc(O)cc2O[C@]2(CCc3cnccc32)[C@H]1c1ccc(F)cc1 587344871 HNGWKVAQSOUWCM-UNMCSNQZSA-N 361.372 4.127 0 1 FIAF CCOC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346456 BWFMPTZOAPCWIA-GJULWVSJSA-N 370.420 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(C(=O)O)ccn3)cc1)O2 587394680 YQOPEHWSMPUBBY-FQEVSTJZSA-N 374.396 4.044 0 1 FIAF CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OCC)c1 587398654 FYJWFJLQJUHATN-OAQYLSRUSA-N 355.434 4.255 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)([C@@H]1CC=C(Br)CC1)[C@@H](C2)C3=O 587416729 DBHLQVVPJJJITB-VZSAFFHGSA-N 363.251 4.280 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(C)s1)[C@@H](C2)C3=O 587452194 MSCQNSXIBFDVTP-QFYYESIMSA-N 365.248 4.316 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCC[C@H](C)C1)CC2=O 587481901 YAXZYQFWWWIPCO-YWZLYKJASA-N 359.510 4.437 0 1 FIAF COC(=O)C1C[C@@H]2CCC[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 587523496 JHTRANZETXCNDP-IPGGUURQSA-N 368.473 4.269 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(O)c(F)c2)N1 587718346 ISDREJNFWVFXOO-MLXNANBUSA-N 372.184 4.196 0 1 FIAF COCCC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 587791928 JZAFDOPXGXMGHU-BZNIZROVSA-N 356.279 4.370 0 1 FIAF CC(=O)c1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587816394 XPAFCEQAKRNHAK-YPMLDQLKSA-N 362.242 4.414 0 1 FIAF Cc1nc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587851744 IZSSZLXIIQHBEX-GLEZIHRCSA-N 355.276 4.151 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccccc1 587870168 BCGOFLZJISXPMX-CQSZACIVSA-N 354.381 4.196 0 1 FIAF Cc1c(F)ccc2c1[C@@H](c1cc(F)ccc1N1C[C@H](C)O[C@H](C)C1)NCC2 962304117 ZEJGBDPWASKZER-ALLJEULLSA-N 372.459 4.122 0 1 FIAF CCCCOc1ccc([C@]2(C)c3ccsc3CCN2C(N)=O)cc1OC 962717879 XVLRPQZUHKRBGB-HXUWFJFHSA-N 374.506 4.136 0 1 FIAF CCN1CCc2c(sc(NC(C)=O)c2-c2nc3cnccc3s2)[C@@H]1C 1857591914 GPSDVNKHELKOPJ-JTQLQIEISA-N 372.519 4.317 0 1 FIAF CCCCSc1nnc(COc2cc(C)c3c(C)cc(=O)oc3c2)o1 1857656224 UTYJYBMQBPHMFY-UHFFFAOYSA-N 360.435 4.264 0 1 FIAF CCCCO[C@H]1OC(=O)C(Cl)=C1Nc1ccc(Br)cc1 1857768869 BMZAZMUBDHSAIM-AWEZNQCLSA-N 360.635 4.011 0 1 FIAF CC(=CCOc1c2occc2cc2ccc(=O)oc12)C[C@H]1C=C(C)C(=O)O1 2356452631 XVVBVBKVMMNZHB-INIZCTEOSA-N 366.369 4.126 0 1 FIAF COCC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)OC 2356463220 STFTTZAROIHWSM-JGCFYCCUSA-N 366.542 4.362 0 1 FIAF CC(C)Oc1cccc(-c2cn3c(-c4ccc(CN)cc4)cnc3cn2)c1 2382235686 ZCDMUFOQXGPEOA-UHFFFAOYSA-N 358.445 4.309 0 1 FIAF CC(=O)N[C@](C)(c1ccccc1)c1nc(-c2ccc(N(C)C)cc2)cs1 61926268 JTMABANTRIHXNJ-OAQYLSRUSA-N 365.502 4.276 0 3 FIAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3cccc(F)c3)cs2)c1 61929295 CMBDPDYLIBBMJO-GOSISDBHSA-N 356.422 4.183 0 3 FIAF CS(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1 3611724 IVGZMLRAOPYXIF-UHFFFAOYSA-N 352.411 4.113 0 1 FIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2nccnc2c1 3794824 OEMXCGIPZRQFGM-SFHVURJKSA-N 361.489 4.233 0 1 FIAF CC(C)N(C=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 36189628 LTWNPNPVOVXRJF-UELNVNDJSA-N 374.569 4.085 0 1 FIAF Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)c2ccsc2)cc1 45389850 UCDRKLUVICISKI-UHFFFAOYSA-N 371.483 4.113 0 1 FIAF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2S(C)(=O)=O 49072361 MKTRZHJANKXAPI-OKSLILNBSA-N 362.535 4.224 0 1 FIAF CN(C)c1ccc(NC(=O)c2cc(-c3cnccn3)nc3ccccc23)cc1 95576066 OIDAIHJNNQUQOI-UHFFFAOYSA-N 369.428 4.010 0 1 FIAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN32 100912702 RQTWPNKOATVIPT-KZJIAPPRSA-N 352.261 4.033 0 1 FIAF O=C1CCCCC[C@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 103205837 HHXYXPARZDOJIF-CYBMUJFWSA-N 369.792 4.002 0 1 FIAF COc1ccc(S(=O)(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1OC 103248104 LVJORRFMAUXTKT-CMDGGOBGSA-N 372.364 4.167 0 1 FIAF N=C(N)Nc1ccc(-c2cc(C(=O)Nc3cccc4ccccc34)no2)cc1 169332294 QBZXOLHHOWAYBV-UHFFFAOYSA-N 371.400 4.052 0 1 FIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccccc2)s1 169371633 KMHHAGQMYNMKGL-DULQVQHASA-N 365.498 4.454 0 1 FIAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586878381 GIXUWJITGLLLQF-UHFFFAOYSA-N 364.426 4.452 0 1 FIAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 586921988 JPAPPHJFMNNRMQ-UHFFFAOYSA-N 354.353 4.042 0 1 FIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587070723 VTQQNCUFUUHPLS-VIFPVBQESA-N 360.772 4.430 0 1 FIAF Clc1ccc(-c2nnc(CCc3nc4cncc(Cl)c4[nH]3)o2)cc1 587076203 LJPUSXKCTZPLLL-UHFFFAOYSA-N 360.204 4.100 0 1 FIAF O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccccc1Br 587208301 OUHRZGGRJFUMGB-UHFFFAOYSA-N 367.246 4.277 0 1 FIAF CCOC(=O)CNc1ccc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)cc1 587226455 ZKNXNESEBVIZFH-UHFFFAOYSA-N 360.417 4.062 0 1 FIAF CCN(CC)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587386503 KCHJDQYYUMTVEP-HXUWFJFHSA-N 354.450 4.139 0 1 FIAF Cc1cccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514916 XOCDFGLXLORDCN-JOCHJYFZSA-N 364.445 4.022 0 1 FIAF CC(=O)OC[C@@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525300 VAYCHLOXJGYIPN-HSZRJFAPSA-N 364.441 4.298 0 1 FIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1C=O 587528009 XVJVPTWWFUJUIO-OAQYLSRUSA-N 366.413 4.102 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Cl)cc1F 587570277 UVWUIIXNKRIHQF-BEFAXECRSA-N 371.751 4.283 0 1 FIAF C[C@@H]1CC(C)(C)CC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603319 LWCYBWYEALMCOH-XJDIIYGHSA-N 366.413 4.118 0 1 FIAF C[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604278 RYQSMMOXTGIFNW-HCVAFPHWSA-N 358.393 4.442 0 1 FIAF CC[C@@]1(c2cccc(N)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748356 WMABMEUJYWZHHQ-VOJFVSQTSA-N 363.274 4.358 0 1 FIAF Cc1cncc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587772684 GANSXVQFKTVNOK-XIKOKIGWSA-N 363.274 4.500 0 1 FIAF Cc1cccc2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n12 587775201 PQMMVUWDJRBGBF-MGNBDDOMSA-N 374.257 4.168 0 1 FIAF CCCC[C@@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587804260 DEKBSRLGBZILRO-DIFFPNOSSA-N 372.278 4.071 0 1 FIAF CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccc(F)cc4)c3O)c2)=N1 587937336 KLUOHFHSKNEVAR-UHFFFAOYSA-N 366.392 4.250 0 1 FIAF CC(=O)Nc1cc(Nc2nccc(Nc3ccc4n[nH]cc4c3)n2)ccc1C 653857927 GOUPUIZWUWCZHG-UHFFFAOYSA-N 373.420 4.107 0 1 FIAF Cc1c(F)ccc2c1[C@@H](c1cc(F)c(Br)c(F)c1)NCC2 962145507 MFAAXAZUHXPXKV-MRXNPFEDSA-N 356.185 4.410 0 1 FIAF COc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12 1772655260 PJWMJLNNFZRWAY-UHFFFAOYSA-N 359.385 4.196 0 1 FIAF CC1(C)[C@H](Cc2cc(CO)on2)C[C@H]1N(Cc1ccco1)Cc1ccco1 2356305596 PHYKURYVKVSCAV-FOIQADDNSA-N 370.449 4.013 0 1 FIAF Fc1ccc(CN2CCOC[C@@H]2c2ncc(-c3ccc(F)cc3F)[nH]2)cc1 2356317648 IIMCFWFPGXOALN-LJQANCHMSA-N 373.378 4.068 0 1 FIAF CC(=O)Oc1ccc([C@@H]2c3cc(OC(C)=O)ccc3C[C@H](C)[C@H]2C)cc1 2356337831 DQNBPZNXXFZFRR-DJEJFTSGSA-N 352.430 4.497 0 1 FIAF Cn1c(-c2cccnc2)cc2cnc(Nc3ccc4c(c3)OCCO4)cc21 74373064 BHEKTPIMFDIYTR-UHFFFAOYSA-N 358.401 4.150 0 3 FIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@@H](C)[C@H](C)[C@@H]3N 3870577 TXGOMXPLDAJWBS-PZROIBLQSA-N 371.477 4.266 0 1 FIAF COc1ccc(CCCCNCCOc2cccc3c2OCCC3)cc1 13761775 RHNWSBLMCVFMKW-UHFFFAOYSA-N 355.478 4.012 0 1 FIAF CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 14975621 VMUWYGVIWGRWFR-UHFFFAOYSA-N 351.859 4.170 0 1 FIAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1ccc[nH]1 26390288 VZUZYJRNXGEFQV-HQIRFVMOSA-N 366.505 4.111 0 1 FIAF Fc1ccc([C@@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3)O2)cc1 28768163 KHBVWCGCBHAJJZ-OALUTQOASA-N 358.800 4.317 0 1 FIAF C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)cc(CCC)c4c2O1)C(=O)[C@H](C)CO3 29133741 UIJRPYBDNDLRCA-RCOIXESOSA-N 366.413 4.307 0 1 FIAF O=C(O)CCC/C=C\C[C@@H]1CO[C@H](C(F)(F)F)O[C@H]1c1ccccc1O 38544455 ZWAVGFSZMACJHA-PUCXOQLHSA-N 374.355 4.186 0 1 FIAF Cc1ccc(NC(=O)C(Br)(C(F)(F)F)C(F)(F)F)cc1 68575783 AGACVOWUOVQVLX-UHFFFAOYSA-N 364.083 4.192 0 1 FIAF biogenic CC(C)S(=O)(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 71318659 FQQQFLFUUKERMO-UHFFFAOYSA-N 350.827 4.298 0 1 FIAF CCCCN1c2ccccc2C[C@H]1COc1ccc(C(=O)OCC)cc1 103284931 LREIARMORSAQLO-IBGZPJMESA-N 353.462 4.474 0 1 FIAF C[C@@H]1CCCCN1CCCn1cnc2c3cc(Cl)ccc3nc-2c1O 103904016 NKLNSUVZHOPJEO-CYBMUJFWSA-N 358.873 4.160 0 1 FIAF O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(F)c(Cl)cc21 201618504 QIGVIDVGMWUPDI-UHFFFAOYSA-N 369.204 4.462 0 1 FIAF O=S(=O)(NCc1ccc(-c2ccccc2)cc1)c1cc2ccccc2[nH]1 203660432 DQLAXRKGWMFISG-UHFFFAOYSA-N 362.454 4.313 0 1 FIAF Fc1cc(Br)cc([C@@H]2C[C@H](c3ccccc3)N3NN=NC3=N2)c1 213604329 YTLPDXKPGXINAV-LSDHHAIUSA-N 374.217 4.318 0 1 FIAF C[C@@H]1CNC(=O)c2cc(-c3cccc4ncc(Nc5ccccc5)nc34)[nH]c21 222332278 OFVSBWPTAOVFMJ-CYBMUJFWSA-N 369.428 4.215 0 1 FIAF CN(CCOc1ccc2c3c(c(=O)oc2c1)CCCC3)Cc1ccccc1 224312812 YCPZOCGKKJAVJI-UHFFFAOYSA-N 363.457 4.183 0 1 FIAF C/C=C1\[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C[C@@H](N(C)C)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 238747225 BZACCZGEYNSNNQ-YVWZCDJWSA-N 373.581 4.157 0 1 FIAF COC(=O)C[C@@]1(C)CC[C@@]2(O[C@@H](CC(C)=O)[C@@H]3C(C)(C)CCC[C@]32C)O1 238755129 LBNHFUDEOMZNBR-NQMYEVRTSA-N 366.498 4.025 0 1 FIAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)C1 261191114 ZFXGNBOXQNGCFE-UTKZUKDTSA-N 370.541 4.204 0 1 FIAF CCO/C(O)=C(/[N+]#N)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987613 PECGGBFQIDDMAP-UHFFFAOYSA-O 360.349 4.225 0 1 FIAF CC(C)c1c(-c2ncnn2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988121 ZRQFEHGRZYGBDB-UHFFFAOYSA-N 370.412 4.071 0 1 FIAF Brc1cnc2c(-c3nc4c(ccc5ncccc54)[nH]3)cccn12 587007825 PHFCFBCTTHHRAQ-UHFFFAOYSA-N 364.206 4.188 0 1 FIAF Cc1nc(C)c(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)s1 587013184 YKTCMRKKESDKQJ-UHFFFAOYSA-N 358.211 4.268 0 1 FIAF COC(=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029189 KKDYOHIZYFMOIS-UHFFFAOYSA-N 365.414 4.052 0 1 FIAF CC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587079916 LXJPHYYNWVMRHV-HNNXBMFYSA-N 352.825 4.143 0 1 FIAF Fc1cnc(Cl)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 587126536 CJIGONPSDPNEKD-UHFFFAOYSA-N 371.681 4.192 0 1 FIAF O=C(/C=C\c1nc2cc(Cl)c(Cl)nc2[nH]1)Nc1ccc(F)cc1 587167513 STZVHFNENWUYAJ-WAYWQWQTSA-N 351.168 4.056 0 1 FIAF CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c(Cl)c1 587368299 GKIICYUBFOCGBT-UHFFFAOYSA-N 350.205 4.362 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Cl)ccc1C(F)(F)F)O2 587380299 DAXQUDJUYGKHER-LBPRGKRZSA-N 356.731 4.351 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ccccn3)o1)O2 587408639 CSCBXJDWNOLRRE-MRXNPFEDSA-N 352.415 4.423 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1cccc(C=O)c1)(C1CC1)CC2=O 587491659 YBLQODZDLMAPTF-QFIPXVFZSA-N 350.414 4.428 0 1 FIAF O=C1C[C@](CCCO)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587503073 KQYNLLLNFNIMTB-JOCHJYFZSA-N 354.421 4.338 0 1 FIAF COc1ccccc1N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587513665 KOWSORBMXOKXEW-QHCPKHFHSA-N 363.457 4.188 0 1 FIAF C[C@@]1(c2ccc(O)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567164 FMLUQQGMQIAZNV-RXVVDRJESA-N 366.344 4.114 0 1 FIAF COCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587592151 IFZIVHUDRAPZDF-SIKLNZKXSA-N 362.381 4.242 0 1 FIAF C[C@]1(Cc2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611378 IFRVTWNEKMBHGZ-FXAWDEMLSA-N 352.411 4.417 0 1 FIAF COc1c(-c2cccc(Cl)c2F)[nH]c2ccc(S(C)(=O)=O)cc12 587650518 YVPDXWFVVDHRBL-UHFFFAOYSA-N 353.802 4.040 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccncc1Cl 587655281 ALYRTCDOHBQFTK-UHFFFAOYSA-N 369.758 4.379 0 1 FIAF CC[C@@]1(c2ccc(F)cn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587729287 GQUDUELBXIDLQL-BTDLBPIBSA-N 367.237 4.310 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C2(C)CC2)N1 587815920 RGBUVOPKLTZYTF-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF CC[C@@]1(c2cccc(O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587832566 JXUTZUPRPKUPFK-ZMZPIMSZSA-N 364.258 4.482 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1ccc2ccccc21 587872298 SZHCXMQLRIJERX-UHFFFAOYSA-N 363.392 4.383 0 1 FIAF Cc1cc(C(F)F)nn1[C@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874428 ZXJDBZAGWFTWPX-SECBINFHSA-N 362.311 4.139 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)c(C)nc3[nH]1)CC2 587934294 IVRFHKDLSUWGDG-LBPRGKRZSA-N 372.266 4.310 0 1 FIAF NC[C@@]1(C2CCC(F)(F)CC2)c2ccsc2CCN1Cc1ccco1 962707918 LKVORSFQUWCPNG-LJQANCHMSA-N 366.477 4.379 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)Cc1ccc(F)cc1Cl 963629496 BFROQCIKFGYEGE-ODXCJYRJSA-N 363.860 4.488 0 1 FIAF CCOc1ccccc1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772612905 XZQBYPQTGQPGHX-QGZVFWFLSA-N 352.390 4.050 0 1 FIAF Cc1[nH]nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12 1772620083 AVZLWQIRCCLZBT-UHFFFAOYSA-N 362.315 4.125 0 1 FIAF CCCN1CCc2nc(=NCc3cccc(Oc4ccccc4)c3)[nH]cc2C1 1857578539 ZXGOMPFVDLOMCR-UHFFFAOYSA-N 374.488 4.071 0 1 FIAF O=C(CCN[C@@]1(c2ccccc2Cl)CCCCC1=O)Oc1ccccc1 1857614974 CDMJRPOLFRSFLQ-OAQYLSRUSA-N 371.864 4.264 0 1 FIAF CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccc(F)cc3[nH]2)C[C@@H]1C(C)C 2356286544 DQNBOIXYERNBME-XYJFISCASA-N 357.473 4.235 0 1 FIAF COc1cccc(-c2nc3sc(-c4c[nH]c5ccccc45)nn3c2C=O)c1 2382256593 IJQBTDGVMNQENT-UHFFFAOYSA-N 374.425 4.427 0 1 FIAF CC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(C)ccc1c2=O 61921300 PLZBMEMMAXTGHN-SFHVURJKSA-N 369.424 4.042 0 3 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)Nc4[nH]ncc4C[C@H]32)C1 5500821 CMWJNGXQGRDRCC-RVEDGADZSA-N 369.509 4.231 0 1 FIAF COc1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1 13538713 WWJLGEMPECUYJI-UHFFFAOYSA-N 357.414 4.168 0 1 FIAF Nc1ccccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1 13740878 ADTNCVXMQJPBHL-UHFFFAOYSA-N 369.440 4.198 0 1 FIAF COc1cc(O)cc([C@H]2CCc3c(O)cc(O)c(CC=C(C)C)c3O2)c1 14762574 HGORYRLTYUTUHO-HXUWFJFHSA-N 356.418 4.387 0 1 FIAF biogenic CN1CCc2cc(Cl)c(O)cc2[C@H](c2cccc(Br)c2)C1 36238008 AJFLQDIECOEENG-HNNXBMFYSA-N 366.686 4.428 0 1 FIAF CCCCN[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 40953492 CNUCWGONSCXRKT-NQBGTIOHSA-N 363.586 4.119 0 1 FIAF COc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1F 45354190 DMKBAOQWTBZRST-UHFFFAOYSA-N 350.349 4.008 0 1 FIAF CC[C@H](O)COc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 66103428 LWIHHDQTVXWNDB-KRWDZBQOSA-N 353.466 4.379 0 1 FIAF Cc1cccc(-c2nc(N3CCOCC3)ncc2-c2nc(C)c(C)s2)c1 82173293 HYTNIEROPKJMGI-UHFFFAOYSA-N 366.490 4.029 0 1 FIAF CC(=O)Nc1ccc2oc3c(O)nc(-c4ccccc4Cl)nc3c2c1 84712686 UGUWHFKAOKWJIE-UHFFFAOYSA-N 353.765 4.360 0 1 FIAF CC(C)Cc1cc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2n1 100743192 SMFRUGDEMNDDLK-IAGOWNOFSA-N 352.478 4.215 0 1 FIAF C=C/C(C)=C\C[C@@H]1[C@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C 100781057 COFSRJDBTTZNBZ-ROFWQOMUSA-N 364.526 4.015 0 1 FIAF endogenous,in-man CCc1ccc(/C(=C/C(=O)NCCc2ccccc2)c2ccncc2)cc1 103185954 DFYMSDMLKGRJLL-NKFKGCMQSA-N 356.469 4.435 0 1 FIAF Cc1cc(Cl)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586967187 QCVALTNCCVLSAC-UHFFFAOYSA-N 357.826 4.262 0 1 FIAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(O)nc(O)nc2[nH]1 587073993 OVDGDVUTOLACGZ-UHFFFAOYSA-N 352.781 4.060 0 1 FIAF CC(C)(C)OC(=O)N1CCC2(CC1)Cc1c2nc2cccc3c2c1CC3 587211693 HURULLWFHMKVIH-UHFFFAOYSA-N 350.462 4.158 0 1 FIAF Cc1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1C 587244852 MYTZXJYOYCHPPC-UHFFFAOYSA-N 360.417 4.319 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2NC(=O)c2ccccc21 587400274 METBISXXSFOGLI-HSZRJFAPSA-N 370.408 4.052 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(OC)c1)CC2=O 587476099 DDNXMMFZBBOSON-OAQYLSRUSA-N 356.418 4.243 0 1 FIAF CC(=O)c1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600728 CBHRJHJDNWJAIV-NFBKMPQASA-N 374.392 4.472 0 1 FIAF Cc1coc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615216 FMMPIWVVQMLTDF-GHTZIAJQSA-N 350.370 4.479 0 1 FIAF CCO/C=C/[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587721360 PMXYRZSSKURETK-YMWZRXTESA-N 364.205 4.133 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccccc3n2)N1 587779657 VHKSWRRYEGJRGW-MLCYQJTMSA-N 372.241 4.155 0 1 FIAF Cc1c[nH]c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 587807456 XEORMDYXFCWTDK-QGHHPUGFSA-N 374.257 4.397 0 1 FIAF CCOC(=O)c1ccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 587931193 RGZBCVQLPVUFHT-VFNWGFHPSA-N 350.418 4.193 0 1 FIAF Cc1c(F)ccc2c1[C@H](C[C@H]1CC[C@@H]([C@H]3NC(=O)OC3(C)C)CC1)NCC2 962297531 JSHNDQGKAUBOSN-RTBCOKGWSA-N 374.500 4.404 0 1 FIAF CCOC(=O)[C@@]12CCCC1=C[C@@]1(C2)NCCc2c(Cl)cc(Cl)cc21 963103758 GOUOCXPJMDSGFL-MOPGFXCFSA-N 366.288 4.398 0 1 FIAF C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@]2(NCCc3ccc(O)cc32)[C@@H]1C 963351371 GUIWYCLFQFQVRL-NRVLJVOLSA-N 364.533 4.298 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1c(N)sc(C)c1C)C1CC1 963633468 IKJWWEUEUYGANE-WIUDPPPLSA-N 372.534 4.152 0 1 FIAF CCCNC(=O)C1(c2ccc(NC(=O)c3ccc(F)c(C)c3)cc2)CCC1 1911572811 ULQFUWREJMBWPU-UHFFFAOYSA-N 368.452 4.334 0 1 FIAF COc1ccc(-c2cnc3c(NC=O)cc(-c4ccccc4)cn23)cc1OC 61905428 KVUAMACEYBNMPJ-UHFFFAOYSA-N 373.412 4.254 0 3 FIAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccsc1 4153223 UTSSYCQZRJYRIV-PKOBYXMFSA-N 372.490 4.155 0 1 FIAF CSc1cccc(NC(=O)Cc2c(C(=O)O)[nH]c3ccc(Cl)cc23)c1 4920653 MWNFIZLMZUTERB-UHFFFAOYSA-N 374.849 4.423 0 1 FIAF O=C1O[C@H](COC(=O)c2ccc(Cl)cc2)C=C1c1cccc(Cl)c1 6534887 ZCXRLERTCRRLBL-HNNXBMFYSA-N 363.196 4.159 0 1 FIAF COc1ccc(NC(=O)N[C@@H](CCN(C)C)c2ccc(Cl)cc2)cc1 13684826 NYPNVOJFYPOGKC-SFHVURJKSA-N 361.873 4.163 0 1 FIAF O=C1C[C@H]2S[C@](COCc3ccccc3)(CCN2Cc2ccccc2)C1 17261155 PKUIUVYDOOWWBW-FGZHOGPDSA-N 367.514 4.270 0 1 FIAF C[C@@H](Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)C(C)(C)C)C(=O)O 26004679 KDOUMXCEFMNRDP-AWEZNQCLSA-N 368.429 4.132 0 1 FIAF Cc1ccc([C@H]2OC(=O)O[C@]2(Cn2cncn2)c2ccccc2Cl)cc1 26010451 FSNIDGWRLPJZGU-IEBWSBKVSA-N 369.808 4.044 0 1 FIAF Cc1oc2nc3n(c(=N)c2c1C)CC/C3=C\c1ccccc1Br 28350457 CWBKUDPULVEBPI-ILUQACKLSA-N 370.250 4.432 0 1 FIAF COc1ccc(CNC(=O)c2cc3c(-c4ccccc4)[nH]nc3s2)cc1 28564987 OJLPXQRQXJPIKO-UHFFFAOYSA-N 363.442 4.230 0 1 FIAF Nc1ccccc1NC(=O)c1ccc(C[C@H]2COc3ccccc3C2)cc1 28826561 COJSUOYKFQWDMR-QGZVFWFLSA-N 358.441 4.315 0 1 FIAF in-vivo Cc1ccncc1-c1ccc2c(ccc3sc4c(c32)NC[C@@H](C)NC4=O)n1 43012280 XXBIBHJGTXHGJL-GFCCVEGCSA-N 374.469 4.364 0 1 FIAF COc1cc(-c2cc(-c3cc(OC)c(C)c(OC)c3)cnc2N)ccc1O 45368231 HCSPXZDQSICPRT-UHFFFAOYSA-N 366.417 4.038 0 1 FIAF COc1ccc(Cc2nccc3cc(OC)c(OCCF)cc23)cc1F 72105903 CHXGBTIYGLUAFE-UHFFFAOYSA-N 359.372 4.330 0 1 FIAF CC(=O)OC[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100912947 BLJIZPWSKVXUMY-IRHUFTKQSA-N 366.288 4.423 0 1 FIAF Cc1nn(-c2ccccc2)c2cc(C3CCC(N4CCNCC4)CC3)ccc12 169706027 DHZHLCGLWCKVLS-UHFFFAOYSA-N 374.532 4.265 0 1 FIAF COc1ccccc1N1CCN(CC[C@H](N=O)c2cc(C)sc2C)CC1 169717035 NFQFFAWDWCIADK-SFHVURJKSA-N 373.522 4.393 0 1 FIAF c1cc[n+](Cc2ccc(Oc3ccc(C[n+]4ccccc4)cc3)cc2)cc1 299844501 AVLMXAQBECWAQU-UHFFFAOYSA-N 354.453 4.151 0 1 FIAF CCc1c(C(=O)NCCc2ccc3c(c2)OCO3)[nH]c2ccc(Cl)cc12 299854658 AFIJCJLHXUFJCZ-UHFFFAOYSA-N 370.836 4.085 0 1 FIAF CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccc(F)cc2)n1 299873877 ALBRFTJIVOEFKX-RDTXWAMCSA-N 370.472 4.047 0 1 FIAF Oc1cccc(CCCCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 586896717 VWXOHGAEMHHKOE-UHFFFAOYSA-N 370.762 4.248 0 1 FIAF Cc1ncc(-c2nc3c(C)cnc(Cl)c3[nH]2)c(C)c1Br 586978804 IJEQNJNAYBXQGP-UHFFFAOYSA-N 351.635 4.361 0 1 FIAF N[C@@H](Cc1nc2cccc(Br)c2[nH]1)c1ccccc1Cl 587057810 RTGAJRMEJBZEJQ-LBPRGKRZSA-N 350.647 4.221 0 1 FIAF CCOC(=O)[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587096507 DNKKJRFTEIISHJ-CQSZACIVSA-N 371.436 4.423 0 1 FIAF FC(F)(F)c1nn(Cc2nc3cnc4ccccc4c3[nH]2)c2c1CCCC2 587119886 KUGSATTUSBFNRT-UHFFFAOYSA-N 371.366 4.254 0 1 FIAF CCCc1nc(-c2nc3c(F)c(F)ccc3[nH]2)nn1-c1ccccc1F 587155931 JBJZXQVHRQXNSU-UHFFFAOYSA-N 357.339 4.180 0 1 FIAF Cc1cnc(Cl)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc12 587205731 TUWDTAJZEYYTCM-LLVKDONJSA-N 366.893 4.402 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(F)cccc1C(F)(F)F)[C@@H](C2)C3=O 587422841 VDHZITMIWAMPKG-BTDLBPIBSA-N 352.283 4.342 0 1 FIAF CCOc1ccc2nc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc2c1 587435605 HLOFEGOVGTVCNV-ZHRRBRCNSA-N 361.397 4.131 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCCOc4c(C)cc(C)cc41)[C@@H](C2)C3=O 587454729 WLCOWIWREZAFEM-AOMKIAJQSA-N 350.414 4.128 0 1 FIAF Nc1cc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548260 OZLITGUVESVHJB-XLIONFOSSA-N 367.788 4.331 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccoc2cn1 587588320 SPIKZYWITQFOKQ-NQIIRXRSSA-N 359.337 4.236 0 1 FIAF Cc1cnc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587588851 MDDTXHDLUJJBBL-GHTZIAJQSA-N 372.380 4.280 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccccc12 587612132 UHTAKYIQMSLJNG-SIKLNZKXSA-N 360.365 4.032 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(N)c2)N1 587718822 OLGNMDLLPNLKMY-HUTHGQBESA-N 367.237 4.107 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N2CCCCC2)N1 587764897 HHHZIGSBNFCCRR-SJCJKPOMSA-N 369.322 4.428 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc3cnccc23)N1 587776790 DMYRWFNLZRSYCQ-MGNBDDOMSA-N 372.241 4.155 0 1 FIAF COc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587807632 KWMILNVHQMWJGQ-BTDLBPIBSA-N 350.231 4.220 0 1 FIAF CC(=O)C12CC([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)(C1)C2 587815345 LSLAGTDDJFRLNK-URBWYCHHSA-N 366.274 4.097 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C)o1 587862459 OSIDAQOPFYUDIT-UHFFFAOYSA-N 350.296 4.167 0 1 FIAF COc1ccc(CCCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1OC 587926404 YRNHSCTUSNGOBE-UHFFFAOYSA-N 365.355 4.169 0 1 FIAF Clc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl 653725352 HFYVRKRSPDIIGS-INIZCTEOSA-N 352.261 4.273 0 1 FIAF COc1cccc([C@@H]2CC(c3ccc(-n4cccc4)cc3)=NN2C(C)=O)c1 653791928 OMNAHXRVGIIEKZ-QFIPXVFZSA-N 359.429 4.184 0 1 FIAF COc1cccc(F)c1[C@@]1(C(F)(F)F)NCCc2ccc(F)c(C)c21 962092546 NKBCCOQTBHYOED-KRWDZBQOSA-N 357.322 4.233 0 1 FIAF CN1C(=O)C[C@@H]2CN[C@](c3cc(F)cc(Cl)c3)(C3CC3)c3cccc1c32 963019927 FTDAWBCQAPEDBT-GTJPDFRWSA-N 370.855 4.186 0 1 FIAF CC(C)(C)CC(=O)N1CCC2(CC1)c1c(F)cccc1C[C@H]1CCCN12 963098489 IDRNORPSLQGGCR-QGZVFWFLSA-N 358.501 4.100 0 1 FIAF Fc1cc(Br)cnc1[C@@H]1c2c(F)cccc2C[C@H]2CCCN12 963104445 UKCZHCCFHIIHTF-PXAZEXFGSA-N 365.221 4.232 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1ncc(-c2ccccc2)o1 963256777 FFBISTODISRTQB-FQEVSTJZSA-N 354.837 4.413 0 1 FIAF CCCCCn1c(C(=O)N[C@H](C(=O)OC)C(C)(C)C)cc2ccccc21 1857550634 CJZGXHIRFBSJBM-GOSISDBHSA-N 358.482 4.149 0 1 FIAF N=c1nc(-c2nc3ccccc3[nH]2)cc(-c2ccc(Cl)cc2Cl)[nH]1 1857654612 HQAZFBJJJHXILQ-UHFFFAOYSA-N 356.216 4.406 0 1 FIAF COc1cc2c(cc1O)[C@H]1O[C@@H](c3cc4c(c(OC)c3-2)OCO4)[C@H](C)[C@H]1C 2356453496 AEMHOASRMDNCLT-HHKJNLEWSA-N 370.401 4.203 0 1 FIAF COc1ccc([C@](C)(NC(C)=O)c2nc(-c3cccc(F)c3)cs2)cc1 61925852 QVUSFONWDAWLCI-FQEVSTJZSA-N 370.449 4.357 0 3 FIAF c1cncc([C@@H]2c3[nH]c4ccccc4c3CCN2CCCN2CCCCC2)c1 1622990 FOJAESRSRCGLSK-XMMPIXPASA-N 374.532 4.386 0 1 FIAF CCCCO[C@H]1C[C@]2(c3ccc(OC)cc3)C(=O)c3ccccc3N2O1 1629577 NACNPPUWAADAGY-CTNGQTDRSA-N 353.418 4.072 0 1 FIAF CCCSc1nnc2nc3c(c(O)n12)[C@@](C)(CC)Cc1ccccc1-3 2246473 GCXVULRHBYJRCJ-IBGZPJMESA-N 354.479 4.223 0 1 FIAF Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC(=O)N2 2456268 RYONWPNLTFCNFD-NRFANRHFSA-N 366.436 4.194 0 1 FIAF CCN1c2ncc(CCc3ccc(C)cc3)cc2C(=O)N(C)c2cccnc21 5842249 BQBWWNAFFFKTGK-UHFFFAOYSA-N 372.472 4.318 0 1 FIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccccc3OC)cc2)C[C@@H]2CC[C@H]1N2C 29482016 CCWOTPZOCKHRAQ-RYTRXMBJSA-N 365.473 4.102 0 1 FIAF O=S(=O)(Nc1cccc(Oc2ccc3ccccc3n2)c1)C(F)(F)F 40504876 QZMHJVRXPVAYKT-UHFFFAOYSA-N 368.336 4.289 0 1 FIAF Cc1cc(NC(=O)NC(=O)NCCCc2ccccc2)c2ccccc2n1 64539439 QTRNAZKCNMYFFP-UHFFFAOYSA-N 362.433 4.007 0 1 FIAF CCc1cnc(-c2cnc(NCCOC)nc2-c2ccccc2C)s1 82177695 ZKZMCKSUAQHKOA-UHFFFAOYSA-N 354.479 4.196 0 1 FIAF CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 84653429 YPWGXALFLMAGJH-UHFFFAOYSA-N 357.211 4.094 0 1 FIAF COc1ccc(CC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC 95579695 TZRPLTHVBYHDBJ-UHFFFAOYSA-N 368.429 4.322 0 1 FIAF O=C(O)c1csc(-n2nc(-c3ccccc3)c3c2-c2ccccc2C3)n1 103249832 DJWBYDZPZJLPAI-UHFFFAOYSA-N 359.410 4.265 0 1 FIAF Cc1[nH]c(C)c(-c2ccc(OCc3ccc(F)cc3)nc2)c(=O)c1Cl 141395342 KDFIBXDMEOKZKQ-UHFFFAOYSA-N 358.800 4.425 0 1 FIAF CCCNC(=O)[C@H]1c2ccccc2C(=O)N1C[C@@H](C)c1ccc(Cl)cc1 143965264 ORTPWEWMSRZRJZ-AUUYWEPGSA-N 370.880 4.167 0 1 FIAF OC1(c2ccc(Cl)cc2)CCN(CCC#Cc2ccc(F)cc2)CC1 145488621 FCFNEHFCHRJYQM-UHFFFAOYSA-N 357.856 4.204 0 1 FIAF O=Nc1c([C@H]2C(=O)Nc3cc(Br)ccc32)[nH]c2ccccc12 169685096 OLOJSTRISMGUEK-ZDUSSCGKSA-N 356.179 4.412 0 1 FIAF Cn1ncc2c(NC(=O)N[C@H]3CC[C@@H](c4ccccc4F)C3)cccc21 169704964 CTXFBRJRFVJZDD-KGLIPLIRSA-N 352.413 4.170 0 1 FIAF O[C@@H](COc1cccc(C2=CCCCC2)c1)CN1CCc2ccccc2C1 219734165 VWANYAGFTZECAS-HSZRJFAPSA-N 363.501 4.442 0 1 FIAF C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3 223658655 LGRLZRTYYCIMPZ-ZDUSSCGKSA-N 367.522 4.171 0 1 FIAF CCCCCC[S@](=O)C[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253683056 DXUUKSQGPDLBMH-NAULGXDPSA-N 370.555 4.310 0 1 FIAF CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](O)CC3)s2)o1 253761086 SYPGWQCWWXBNKA-HAQNSBGRSA-N 367.540 4.436 0 1 FIAF CC(C)COC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 261191448 ZIZAIKAHKYFFQP-XGAFWQRZSA-N 358.526 4.376 0 1 FIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299873729 AFNARRDFYIYFQY-CWJKEVGVSA-N 372.509 4.120 0 1 FIAF CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 299880768 MVJAVIVNGMSDCN-ZACQAIPSSA-N 366.509 4.472 0 1 FIAF Cc1cc(Br)ccc1-n1cccc1-c1nc2ncccc2[nH]1 586981844 VBSOMDMFLCJGDY-UHFFFAOYSA-N 353.223 4.487 0 1 FIAF CCOc1n[nH]c(-c2nc3cc(Br)cc(C)c3[nH]2)c1Cl 587065623 VXNNJBUCRPDCDL-UHFFFAOYSA-N 355.623 4.076 0 1 FIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cncc(Br)c2[nH]1 587151649 UHRCDMXZHVJTAM-SSDOTTSWSA-N 354.154 4.139 0 1 FIAF CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587401806 YNNHHJKFVAJWBI-VFGPNDIDSA-N 371.477 4.227 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccc(O)cc1)O2 587405791 YJHRBQOZSIQTCD-QHCPKHFHSA-N 359.425 4.386 0 1 FIAF COc1cc2c3c(c1)OC(c1ccc(C)o1)(c1ccc(C)o1)[C@@H](C2)C3=O 587455185 KNFGAGIBKYYXEQ-HNNXBMFYSA-N 350.370 4.189 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2cccnc2c1 587586945 MCXKZCNLPZXOGB-SIKLNZKXSA-N 370.364 4.038 0 1 FIAF Cc1cccnc1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589162 UGSUFMVMAZYRTB-KNQAVFIVSA-N 361.397 4.059 0 1 FIAF Cc1cc(N)cc(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587742914 BPHDSEOHXONWGN-ADLMAVQZSA-N 363.274 4.411 0 1 FIAF COc1ccc(CCCc2nc3c(Cl)cnc(Cl)c3[nH]2)c(OC)c1 587928823 NCNHRRYMYOCXRE-UHFFFAOYSA-N 366.248 4.457 0 1 FIAF COc1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cc1C 587951343 SVDPWBUVHIEJDO-VKFLQFAXSA-N 354.450 4.033 0 1 FIAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccnc3C2)c(Cl)c1 653718531 VTJUZMJXUPHWSJ-UHFFFAOYSA-N 353.809 4.409 0 1 FIAF C[C@@H]1NC(c2ccc(-c3ccccc3)cc2)=Nc2nc3ccccn3c2C1=O 1772595639 ITCGLYYPBCIZBL-HNNXBMFYSA-N 366.424 4.254 0 1 FIAF O[C@@]1(c2ccc3ccccc3c2)c2ccc3ccccc3c2C2=NCCN21 1662062 AYESQVUVFADUMC-DEOSSOPVSA-N 350.421 4.262 0 1 FIAF CC[C@H]1CCCCN1c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 9698138 PUPGMZLHERNPDK-INIZCTEOSA-N 366.440 4.229 0 1 FIAF Cc1c(F)c(Oc2cccc(N)c2)nc(Oc2cccc(C(=N)N)c2)c1F 13474012 OGLUIQADIHCVKD-UHFFFAOYSA-N 370.359 4.119 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccnc1)[C@@H]2O 13681729 QLYAKILKANOLBC-GSVDHGKISA-N 363.501 4.473 0 1 FIAF in-vivo O=C1N(c2ccccc2)c2ccccc2[C@@]1(CCCO)Cc1ccncc1 26733245 XYRSPZARJAGSQU-HSZRJFAPSA-N 358.441 4.013 0 1 FIAF N=C(N)c1ccc2[nH]c(-c3ccc4nc(-c5ccccc5F)[nH]c4c3)nc2c1 40977190 NUUUWBVJHXKODW-UHFFFAOYSA-N 370.391 4.196 0 1 FIAF O[C@@H](CNCc1ccccc1Cl)Cn1c2c(c3ccccc31)CCCC2 73170067 QONUHSGPJOQUFA-KRWDZBQOSA-N 368.908 4.324 0 1 FIAF COc1ccc2nc(-c3ccc4c(c3)N=C[C@@H]3CCCN3C4=O)sc2c1 73257958 RZFRBEWGFAZVLR-ZDUSSCGKSA-N 363.442 4.292 0 1 FIAF COc1ccccc1Oc1cncc(NC[C@]2(C)C[C@H](O)CC(C)(C)C2)n1 82068873 SGQQZFQEFWCAAE-QVKFZJNVSA-N 371.481 4.267 0 1 FIAF COc1cc2c(cc1C=O)[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1CC2 96939225 XXZXGRMVMCNVAI-KOLYYURTSA-N 356.462 4.296 0 1 FIAF Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl 101556585 DFFKHQMOSUXPAS-OKILXGFUSA-N 370.888 4.117 0 1 FIAF CC(=O)[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)O)CC[C@@]4(O)[C@@H]3CC[C@@H]2C1 118935092 ZDWIKYATNSEKOF-FWQIQCDDSA-N 362.554 4.346 0 1 FIAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC[C@H]2n1ccnc1 169255120 AUQHJQCNHSIVMH-XUCMERPOSA-N 353.510 4.113 0 1 FIAF C=C/C(C)=C/C[C@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]21C 238743577 IEAUFJOLHRNYMW-ZPVHDVKASA-N 364.526 4.015 0 1 FIAF CC(=O)OC/C=C(\C)CC[C@@H]1OC(=O)C(CCC=C(C)C)=CC[C@@]1(C)O 238780014 CZYBEMYHXJMNRC-ZHJOWBGWSA-N 364.482 4.015 0 1 FIAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC[C@@H](O)[C@@H](C)CCC=C2 253668155 NDOUUJAOZBANGT-RLFYNMQTSA-N 362.466 4.223 0 1 FIAF O=C1C[C@@H](Sc2ccc(F)cc2Cl)N1C(=O)NCc1ccccc1 299856036 BOCMXRSULSGZTR-MRXNPFEDSA-N 364.829 4.039 0 1 FIAF Cc1ccc2c(ccc3nc(Cn4nc(C)c(Br)c4C)[nH]c32)n1 586978718 DAXPFHMCSNQMHJ-UHFFFAOYSA-N 370.254 4.044 0 1 FIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(Cl)ccnc3[nH]2)cs1 587019466 NYUJNEJKZFMMLZ-UHFFFAOYSA-N 365.846 4.006 0 1 FIAF Fc1c(Br)ccc2nc(-c3csc4c3CCOC4)[nH]c12 587032345 UAKVFMGXWXBZRZ-UHFFFAOYSA-N 353.216 4.266 0 1 FIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587068947 GQWCHNKLUNBTGF-GFCCVEGCSA-N 369.852 4.295 0 1 FIAF CCOC(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587075100 CIADEVUMNNQLTJ-QGZVFWFLSA-N 369.808 4.010 0 1 FIAF COc1nccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587075933 GHYUSNDBFNWHAM-UHFFFAOYSA-N 352.781 4.055 0 1 FIAF N=c1[nH]cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc-2[nH]1 587082240 KDRXNTURDDKYCY-UHFFFAOYSA-N 372.819 4.253 0 1 FIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Cl)cc4[nH]3)cc2N1 587127303 WGVSVLDNFJQEST-JMCQJSRRSA-N 355.751 4.387 0 1 FIAF COc1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2n1 587151550 RIRPRKNSCVQGNK-SFHVURJKSA-N 367.355 4.413 0 1 FIAF Cc1ccc(CCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1N 587249453 ASEDWYAEYIRRIO-UHFFFAOYSA-N 365.662 4.050 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@H]1NC(=O)OC(C)(C)C)O2 587389267 JQOZIEGCLCQAON-UTKZUKDTSA-N 374.481 4.139 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccsc1N)O2 587409120 GQTWUGREPNGOJZ-HXUWFJFHSA-N 350.443 4.130 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1cccnc1)[C@@H](C2)C3=O 587435641 HVMKJMYNJJOUQC-WMZHIEFXSA-N 357.409 4.090 0 1 FIAF COCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587591943 IFZIVHUDRAPZDF-DENIHFKCSA-N 362.381 4.242 0 1 FIAF O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)cc(Cl)n1 587652140 XBABAXXZZVMENC-UHFFFAOYSA-N 360.122 4.106 0 1 FIAF O=C(CC1CCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659823 DZTLEJTUAHRVMX-UHFFFAOYSA-N 350.393 4.423 0 1 FIAF CC(C)Cn1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757887 HZNQQUWTNGALFK-APPDUMDISA-N 366.278 4.064 0 1 FIAF Cn1cccc1CN1CCc2sccc2[C@H]1c1nc2ccccc2n1C 962376921 WBBQJAAFDROZKB-FQEVSTJZSA-N 362.502 4.121 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-n3cncn3)c(C)c2)N1 962955020 XQNJBIUVHUOMOQ-HRAATJIYSA-N 357.461 4.071 0 1 FIAF Cc1nn(-c2ccccn2)c2cc(-c3ccc([C@H](C)CC(=O)O)cc3)ncc12 1772570690 BWZCUJWBEZQHAP-CQSZACIVSA-N 372.428 4.369 0 1 FIAF Clc1ccc(CC2(COc3cccnc3)CCNCC2)cc1Cl 1857603780 DFIMBYYXCVFOEJ-UHFFFAOYSA-N 351.277 4.380 0 1 FIAF CC=CCC=CC=CC=CCCCOC(=O)C[C@H](C)OC(=O)C[C@@H](C)O 2356381737 XKXAEQCZZGRRAV-MOPGFXCFSA-N 364.482 4.037 0 1 FIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@H](C)C(=O)C[C@@H]12 2356469446 NLSHPJQSTZKKHA-ORDMVQLLSA-N 364.526 4.306 0 1 FIAF CC(C)[C@@H](C)Nc1c(-c2c(F)cccc2F)c(Cl)nc2ncnn12 2382254413 BPBHSXXXVJRRNH-SECBINFHSA-N 351.788 4.179 0 1 FIAF COc1ccccc1-c1csc([C@](C)(NC(C)=O)c2ccccc2)n1 61904831 QYHZGPVSVIOVMN-HXUWFJFHSA-N 352.459 4.218 0 3 FIAF CN(Cc1ccccc1)C(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 199391788 JLICLRFIPQVXBT-UHFFFAOYSA-N 359.351 4.368 0 3 FIAF Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21 3815057 BBWYQCNFQUTQED-UHFFFAOYSA-N 354.211 4.023 0 1 FIAF CC[C@H]1CCCCN1C(=O)CSc1nnc(C)n2c1cc1sccc12 6893816 PXOMRLYVGNEYHH-ZDUSSCGKSA-N 374.535 4.136 0 1 FIAF CCCC/C=C/C=C\C=C\CCCCCCCC(=O)OC[C@H](O)CO 14616299 WABDDVFNZRATDQ-FCVRUJCXSA-N 352.515 4.472 0 1 FIAF CCCCCCc1c(C)c2ccc(OC(C)=O)c(OC(C)=O)c2oc1=O 40861622 VZPSJZQTZJSMRH-UHFFFAOYSA-N 360.406 4.075 0 1 FIAF O=S1(=O)N=C(O)C[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)cc1 62232967 KHBPRYVNEZKXMF-AWEZNQCLSA-N 355.337 4.104 0 1 FIAF Nc1ccc(-c2cc(Cl)cc3c2O[C@@H](C(F)(F)F)C(C(=O)O)=C3)cc1 66066262 UBMHUOWYROYDAE-OAHLLOKOSA-N 369.726 4.381 0 1 FIAF CC(=O)N1N=C(c2cccc3ccccc23)C[C@@H]1c1ccc2c(c1)OCO2 66111655 QFOXTVJYKRBAOM-HXUWFJFHSA-N 358.397 4.266 0 1 FIAF O=C(O)[C@]1(F)CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 66263304 KYVIFZVYZUQCME-QFIPXVFZSA-N 353.437 4.397 0 1 FIAF CC(C)Cn1ncn(-c2nc3c(s2)[C@@H](C)Sc2sccc2-3)c1=O 73195692 JMPKGOWMQZZMAR-SECBINFHSA-N 364.521 4.042 0 1 FIAF N[C@H](CCc1ccccc1)c1csc(NC(=O)Nc2ccccc2)n1 74385337 ULXCWQFZZOYWGQ-MRXNPFEDSA-N 352.463 4.420 0 1 FIAF CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(F)cc3)n2)C1 82068877 SXSWVECQIWYIBY-FOIQADDNSA-N 359.445 4.397 0 1 FIAF CC(C)CN(C)c1ncc(C(=O)N2CCCCC2)c(-c2ccc(F)cc2)n1 82140401 HFYMKVMBWNZCHG-UHFFFAOYSA-N 370.472 4.001 0 1 FIAF Brc1cccc(COc2ccc3c(c2)CCc2nccn2-3)c1 95596071 SIQKGAMZDOEPJD-UHFFFAOYSA-N 355.235 4.312 0 1 FIAF O=C1NC(=O)/C(=C/c2ccc(OCCc3ccccc3)cc2Cl)S1 96282278 POQGXXUFSMAEBW-YBEGLDIGSA-N 359.834 4.285 0 1 FIAF Cc1sc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1C 96905582 MTHSIXCBKRNQNR-UHFFFAOYSA-N 358.488 4.296 0 1 FIAF C[C@@]12CCCC(COC(=O)c3cccc(F)c3)=C1C(=O)O[C@H]2c1ccoc1 103206701 KOBVUKGDMNHYAQ-GHTZIAJQSA-N 370.376 4.360 0 1 FIAF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2ccc(C)o2)C[C@H]1C 104107144 GHRDEVMKZMPGFZ-JPJOULJCSA-N 366.417 4.468 0 1 FIAF C[C@@H](c1ccc(Br)cc1)N1CCC2(CCC(=O)CC2)OC1=O 146011804 BVXQZGIOWDTFFV-LBPRGKRZSA-N 366.255 4.234 0 1 FIAF Nc1nc2ccc(Cl)cc2n1C[C@@H](O)c1cccc(Cl)c1Cl 169351099 WADBSUZEKGZBKU-CYBMUJFWSA-N 356.640 4.312 0 1 FIAF CSC1=N[C@@H]2c3ccccc3SCCCCCOC(=O)[C@H]2C(C)=N1 169713998 LUAAYKIXNWOEMY-JKSUJKDBSA-N 362.520 4.357 0 1 FIAF CCCOCc1ccc(Cl)c(-c2nnc3c(C)nc4ccncc4n23)c1 299868648 RZXLNOORMKRAIY-UHFFFAOYSA-N 367.840 4.228 0 1 FIAF Cc1ccc([C@H](C)[C@H](O)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 586886913 GYYZAQMGRVAGRZ-KWQFWETISA-N 370.762 4.122 0 1 FIAF COc1cc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2cn1 587063212 IJXLVAFGAQORJQ-UHFFFAOYSA-N 370.796 4.162 0 1 FIAF Clc1ccc2c(c1)C[C@H](c1nc3cc(Br)cnc3[nH]1)O2 587080350 MCLCYNNLOKNHLO-GFCCVEGCSA-N 350.603 4.050 0 1 FIAF CC(C)OC(=O)C1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC(F)(F)C1 587130191 GTRVIAZNDYCCHJ-UHFFFAOYSA-N 362.298 4.200 0 1 FIAF Oc1c(F)cc(F)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587133825 BTBLZZYFGHODND-UHFFFAOYSA-N 360.545 4.025 0 1 FIAF Cc1nc2[nH]c([C@@H](C)c3ccc(N(C)C)cc3)nc2cc1Br 587197955 YDCYVZWNKQQSBM-JTQLQIEISA-N 359.271 4.247 0 1 FIAF CCOC(=O)[C@]1(c2ccc(C(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587400840 RROSRZQKAZLFQW-JOCHJYFZSA-N 367.445 4.124 0 1 FIAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1cccnc1)[C@@H](C2)C3=O 587435632 HVMKJMYNJJOUQC-CVDCTZTESA-N 357.409 4.090 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccc(O)cc4)n1)[C@@H](C2)C3=O 587453803 ZPVKBOICRYUAGA-IFXJQAMLSA-N 365.410 4.013 0 1 FIAF CC(C)(C)c1[nH]cnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586724 DDMRESRYMYGIIM-KXBFYZLASA-N 364.401 4.116 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccoc2c1 587589537 XTOGCRKZDHSSCH-RXVVDRJESA-N 359.337 4.236 0 1 FIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C(C)C 587765383 SZUTYJWTWMVPRS-BMLIUANNSA-N 366.278 4.298 0 1 FIAF CC(C)CN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587766384 GMZKTRLOJZOJAO-ZDUSSCGKSA-N 369.322 4.070 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc[nH]c2C(C)(C)C)N1 587790624 IVLZJOFCGNLBEN-OTYXRUKQSA-N 366.278 4.232 0 1 FIAF COc1cccc(C2(c3nc4ccc([C@@H](N)N=O)cc4[nH]3)CCCC2)c1 587932978 IJPWYDDQAOJAPG-SFHVURJKSA-N 350.422 4.155 0 1 FIAF CC(C)COc1cc2[nH]c(/C=C/C=C/C(=O)O)nc2cc1Br 587966866 YWCHLIGVPUYYAR-GGWOSOGESA-N 365.227 4.014 0 1 FIAF COc1ccc2c(c1OC)[C@H](c1cnc(C(F)(F)F)s1)N(C)[C@@H](C)C2 962571056 ONPXDLIAFWXVBP-XPTSAGLGSA-N 372.412 4.145 0 1 FIAF Cc1sc2c(c1C)CCN[C@]21c2ccccc2NC(=O)c2ccccc21 963008090 JEHDQOQTPCWIEI-JOCHJYFZSA-N 360.482 4.368 0 1 FIAF CN1CCc2c(Br)cccc2[C@H]1c1c(Cl)ncnc1Cl 963290502 XJPOVSRMUKQUJW-LBPRGKRZSA-N 373.081 4.123 0 1 FIAF Fc1ccc(NC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772604696 SEDCDDVPECAZSY-HDJSIYSDSA-N 364.428 4.131 0 1 FIAF Cc1cc(CCC(=O)O)ccc1OCc1cc(C(F)(F)F)ccc1O 1772633241 MFFSEPNHLOZYNU-UHFFFAOYSA-N 354.324 4.316 0 1 FIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CCCC3)c2cn1)c1ccccc1 1772633868 KBMFYSFTKPTUEQ-CYBMUJFWSA-N 364.453 4.195 0 1 FIAF Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2ccccc2O)nc1 1857555120 XZHNSJREYJGWNS-UHFFFAOYSA-N 371.440 4.216 0 1 FIAF O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)OCC1CCNCC1 1911577746 BSNRCPZANSBCBD-UHFFFAOYSA-N 364.367 4.319 0 1 FIAF COc1ccc(C(=O)c2c(C)n(C[C@@H]3CCCN3C)c3ccccc23)cc1 3800829 ZSUIOMKJDWYWBQ-SFHVURJKSA-N 362.473 4.284 0 1 FIAF COC(=O)c1c(C)cccc1[C@H]1CN=N[C@]12Cc1cc(C)c(C)cc1C2=O 5539758 WFCIEHWRWGAYKK-XMSQKQJNSA-N 362.429 4.126 0 1 FIAF Cc1ccccc1NC(=O)CCC(=O)N1C[C@@H](C)Sc2ccccc21 6857637 ZMPAMMFQSQVJJN-OAHLLOKOSA-N 354.475 4.241 0 1 FIAF O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1Cl 8280777 NANSXXMEYAFODX-UHFFFAOYSA-N 368.849 4.452 0 1 FIAF CCc1c(C(=O)OC)ccc2c1CC[C@@H]1[C@](C)(C(=O)OC)CCC[C@@]21C 13399954 IQEUKXWABWRDNI-YUXAGFNASA-N 358.478 4.219 0 1 FIAF biogenic O=C(O)c1cc2ccccc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 13755779 PSPKANWULWVLMF-UHFFFAOYSA-N 363.457 4.484 0 1 FIAF O=C(CCN1CCN(c2ccccc2O)CC1)c1csc2ccccc12 13861805 CNPYMPYNOIVAMT-UHFFFAOYSA-N 366.486 4.002 0 1 FIAF CC(C)(C)c1ccc(OCc2ccccc2)c(C[C@@H]2SC(=O)NC2=O)c1 28371816 DJGQRUNPQRHQOV-SFHVURJKSA-N 369.486 4.457 0 1 FIAF CC[C@H](COc1ccccc1Sc1cccc(F)c1)N(C)CC(=O)O 40567025 YHCQCGSRCULRHM-OAHLLOKOSA-N 363.454 4.151 0 1 FIAF CCN(CC)Cc1cccc(C[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 40898880 MDZMZBMFJIRMKC-LJQANCHMSA-N 367.489 4.143 0 1 FIAF CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 58569334 SARQYPUTTRFHLZ-UHFFFAOYSA-N 350.462 4.149 0 1 FIAF CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2cc(O)ccc21 72111146 ZSMCHXGGQCKXMY-INIZCTEOSA-N 367.430 4.146 0 1 FIAF CCOc1cc(CCNc2cncc(Oc3ccccc3)n2)ccc1OC 82068598 BNHFWVQXNHSZOC-UHFFFAOYSA-N 365.433 4.331 0 1 FIAF Cc1c(C(=O)O)sc2c(Br)c(Br)sc12 84704757 ZMSQXGXARJMLEI-UHFFFAOYSA-N 356.060 4.494 0 1 FIAF CC(C)C[C@@H]1NC(=O)C(C(=O)Nc2ccc(C3CCCCC3)cc2)=C1O 101164714 KZOWEKTYNNICLE-KRWDZBQOSA-N 356.466 4.029 0 1 FIAF Cn1c(-c2ccccc2)cs/c1=N/C(=O)c1ccc(Br)cc1 103083047 IQVCLSMVPRAAFB-HTXNQAPBSA-N 373.275 4.257 0 1 FIAF CC1=Nc2ncnn2[C@H](c2ccccc2C)/C1=C(/O)OCc1ccccc1 103531240 ZRTOREBRCGBYNN-LAFOYAEKSA-N 360.417 4.268 0 1 FIAF O=c1c(Cc2ccccc2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2[nH]1 169325794 AOLXMSFMEMCRMO-UHFFFAOYSA-N 366.424 4.300 0 1 FIAF Cc1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2n1 586968116 NGEYMVRKYMJFEJ-UHFFFAOYSA-N 370.869 4.101 0 1 FIAF FC(F)(F)Oc1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587016042 FGYCQHZIPGLJMV-GFCCVEGCSA-N 355.341 4.437 0 1 FIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)ncnc4[nH]3)c21 587031516 SHXMGVYBAVXQNO-SNVBAGLBSA-N 351.435 4.018 0 1 FIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2c1 587095578 LNYXEJNCYJIJQS-UHFFFAOYSA-N 369.730 4.271 0 1 FIAF COc1cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2cc1C 587108927 JMBRKSJAUPJKLJ-UHFFFAOYSA-N 350.296 4.264 0 1 FIAF Cc1cnc(Cl)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc12 587109130 SYXHDPYFUNDAGQ-UHFFFAOYSA-N 355.703 4.304 0 1 FIAF CC(C)CCOc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Br 587126241 VZVABRGQIFOYQP-YMTOWFKASA-N 358.255 4.108 0 1 FIAF O=C1C[C@@H](c2nc3ccc(Cl)cc3[nH]2)CN1Cc1ccc(F)cc1F 587150997 WWZGSRGVUJSOKV-LLVKDONJSA-N 361.779 4.011 0 1 FIAF Cc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Cl 587185023 OZJFHKBWHSNXET-UHFFFAOYSA-N 369.593 4.191 0 1 FIAF CC[C@@H]1CCC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349789 CRSBSADWRUZXMU-XFPJRNFQSA-N 354.377 4.018 0 1 FIAF CC(=O)[C@@]1(c2cc(Cl)cc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587379476 VCSMYRNUQDGCPC-GOSISDBHSA-N 364.228 4.334 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](OCc3ccccc3)C1(C)C)O2 587404645 YKCRKYNFIZVGJD-DENIHFKCSA-N 351.446 4.297 0 1 FIAF COC(=O)CCCCCCCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441417 FIYBXBYRYWKXBU-IRXDYDNUSA-N 360.450 4.105 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)cc1C(=O)O)CC2=O 587460989 IGDHDFUVXNUBFN-QGZVFWFLSA-N 360.793 4.403 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCOC)c1)CC2=O 587483534 RAHRSLWTNKCMEG-HXUWFJFHSA-N 356.418 4.076 0 1 FIAF O=C1C[C@@H](c2nc3c(cc2Cl)OCCO3)Oc2c1ccc1c2CCCC1 587500686 NFUGHKGMGLNSTC-INIZCTEOSA-N 371.820 4.092 0 1 FIAF COc1cccc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597372 YWYOKFIPNDDKMH-UGKGYDQZSA-N 362.381 4.412 0 1 FIAF CC(C)[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587770610 ATHYORYZTFKNCK-SGTLLEGYSA-N 363.274 4.417 0 1 FIAF CCC[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587817194 JJCLRBWPYIEOIF-VNBZBWLYSA-N 368.290 4.487 0 1 FIAF COc1cccc(-c2cc(O)cc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)c1 587933555 QHWIZDKRZJSJLW-UHFFFAOYSA-N 356.385 4.487 0 1 FIAF O=C(O)Cc1ccc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587960854 GANQBFZALQIIFN-UHFFFAOYSA-N 372.424 4.360 0 1 FIAF CN1C(=O)C[C@H]2CN[C@@]3(CC(C)(C)CCc4ccccc43)c3cccc1c32 963033141 PVDJIUPAXHSVKL-BXKMTCNYSA-N 360.501 4.346 0 1 FIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1cccc2c1CCC21OCCO1 963114482 UDTZPOKHBGNLCJ-HTAPYJJXSA-N 365.448 4.081 0 1 FIAF COc1ccc(C(=O)c2cn(CC3CCOCC3)c3c(O)cccc23)cc1 1857764762 SXDMYMPKIVFCAN-UHFFFAOYSA-N 365.429 4.013 0 1 FIAF CC=CC=CC=CC(=O)O[C@@H]1C=C2COC[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 2356438624 NBSRXDQGLXGTEV-VGSGFSFPSA-N 372.505 4.121 0 1 FIAF COc1cc(C)c(CC[C@@](C)(O)C=Cc2cc(O)ccc2O)c(C)c1C 2356579780 JEYHRQCMOMICDC-QFIPXVFZSA-N 356.462 4.429 0 1 FIAF CCCCC[C@H](O)C=C[C@@H]1[C@H]2CO[C@@H](C2)[C@H]1CC=CCCCC(=O)O 2356719658 DJKDIKIDYDXHDD-RMMWZPCPSA-N 350.499 4.336 0 1 FIAF COc1ccc(S(=O)(=O)Nc2ccccc2CCc2ccccc2)cc1 2382223392 OVNLDPSZJCTWLQ-UHFFFAOYSA-N 367.470 4.281 0 1 FIAF Cc1cccc([C@@H]2C[C@@]3(CC(C)(C)N=C(S)N3)Oc3cc(O)ccc32)c1 13556623 XCPZJDYJAXIWTF-UWJYYQICSA-N 368.502 4.369 0 3 FIAF O=c1[nH]c2ccc(N3CCC[C@@H]4CCCC[C@@H]43)nc2nc1Cc1ccccc1 4048878 PBPKWKPTVJYQDW-PXNSSMCTSA-N 374.488 4.068 0 1 FIAF Cc1ccc2c(c1)c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21 13560016 VJMXGRAYTDRKAO-UHFFFAOYSA-N 367.412 4.227 0 1 FIAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@@H]1C(C)(C)CCC[C@@]1(O)CO)C=C2 14708646 VQUOAESRDYPVEX-BAGYTPMASA-N 360.494 4.195 0 1 FIAF biogenic CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2)C2=C(O)CCCC2=N1 19770211 AJEZSRMBOINRKV-UZLBHIALSA-N 367.445 4.217 0 1 FIAF S=C1N=C(c2cccs2)C[C@H](c2ccc(Br)cc2)N1 19995055 QYLHBTSUMFBRPU-LLVKDONJSA-N 351.294 4.319 0 1 FIAF CCC[C@@H](C(=O)O)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 34801878 JGNJABZIGHTRNB-INIZCTEOSA-N 352.839 4.034 0 1 FIAF in-vivo c1ccc2c(N3CCN(CCc4ccc5nc[nH]c5c4)CC3)cccc2c1 38424857 OTPPYWCIUOIPCN-UHFFFAOYSA-N 356.473 4.081 0 1 FIAF O=C(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nc(-c2cccc(F)c2)no1 71334476 YUGKHLDIYRMTTA-INIZCTEOSA-N 373.334 4.131 0 1 FIAF O=C(CN1CCCC1)NN1c2ccccc2Sc2cc(Cl)ccc21 73161095 LLYYMSFSWPNTPP-UHFFFAOYSA-N 359.882 4.070 0 1 FIAF O=c1[nH]c2ccc(N3CCC[C@@H]4CCCC[C@@H]43)nc2nc1-c1ccccc1 82231745 STRGLHVWUDFYLD-YJBOKZPZSA-N 360.461 4.144 0 1 FIAF O=C(O)c1ccccc1NC(=O)c1ccccc1NC(=O)C1CCCCC1 84709818 ONNLEWGJNPQTFH-UHFFFAOYSA-N 366.417 4.156 0 1 FIAF C[C@@H]1OC(=O)[C@@H](CCCCCCCCCc2ccc3c(c2)OCO3)[C@@H]1O 85953856 ZWEUPJIIEPMLOM-RIFZZMRRSA-N 362.466 4.001 0 1 FIAF biogenic COc1ccc(-c2cc3nc4ccc(Br)cc4n3cn2)cc1 103266966 LXFDDRLDJDMVTP-UHFFFAOYSA-N 354.207 4.321 0 1 FIAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(OCC(=O)O)ccc12 205664563 JWGZWKLPZDFKBD-UHFFFAOYSA-N 365.216 4.163 0 1 FIAF COc1ccc(-c2cc(/C=C3\C(=O)Nc4ccc(Cl)cc43)[nH]n2)cc1 299857106 CMNWETUIASLFMP-SXGWCWSVSA-N 351.793 4.231 0 1 FIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@H](Cc1ccncc1)[C@@H]2O 299870007 HTDAGQQNWZEQOG-SJJWJFPKSA-N 363.501 4.473 0 1 FIAF in-vivo Oc1nc2ccc(N3CCC[C@@H]4CCCC[C@H]43)nc2nc1Cc1ccccc1 299882042 PBPKWKPTVJYQDW-FXAWDEMLSA-N 374.488 4.480 0 1 FIAF O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586900486 CPYQREQPOVXWEE-GHTZIAJQSA-N 354.409 4.363 0 1 FIAF O=[S@@](Cc1nc2cccc(O)c2[nH]1)C(c1ccccc1)c1ccccc1 586958650 HBICZKKVNNVNSB-SANMLTNESA-N 362.454 4.307 0 1 FIAF Oc1c(Br)ccc2nc([C@H]3SCCc4sccc43)[nH]c12 587037186 SYBQMEGMMBLRLC-ZDUSSCGKSA-N 367.293 4.471 0 1 FIAF FC(F)(F)OCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587126497 XVHZNBUAMSNSHC-UHFFFAOYSA-N 363.055 4.381 0 1 FIAF COc1c(F)ccc(-c2nc3ccc(Br)c(C)c3[nH]2)c1N 587135263 WHSPWPWJVAXKCW-UHFFFAOYSA-N 350.191 4.031 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(F)ccc32)N1 587731122 KJJZZGLKLROLKV-YPMLDQLKSA-N 364.233 4.451 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncn(C)c3c2)N1 587753997 CHIDBHPPUDDWAX-MLCYQJTMSA-N 374.257 4.099 0 1 FIAF Cc1ccncc1CC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587774001 KRQAYSPWWBWPBN-LRDDRELGSA-N 363.274 4.500 0 1 FIAF Cc1cccn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 587775278 QJPLDWAKWGJFFV-DIFFPNOSSA-N 374.257 4.168 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc(O)c1 587860232 ORRPCIKEBKKSDT-UHFFFAOYSA-N 350.205 4.345 0 1 FIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)oc1C 587862499 PZJZBPFEAGJUDJ-UHFFFAOYSA-N 364.323 4.476 0 1 FIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(Br)ccnc2[nH]1 587931878 UJENDVGGCFQACU-PIGZYNQJSA-N 358.239 4.174 0 1 FIAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587953543 NGCJQTYRDIXDPC-ZDUSSCGKSA-N 366.442 4.260 0 1 FIAF CCOc1ccccc1C=C[C@]12NC(=O)CN1c1ccc(C)cc1C2(C)C 2356744861 MTHPSJXMLNEZBU-QHCPKHFHSA-N 362.473 4.031 0 1 FIAF CC(C)(C)C(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1 1362857 CWQXZHHWKHIUKI-UHFFFAOYSA-N 355.457 4.137 0 3 FIAF COc1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc1 1648928 MZCAPXRDAPWCCL-UHFFFAOYSA-N 363.295 4.099 0 1 FIAF N=C(O)C1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1 2921794 DBVWQAIFVRDQHY-UHFFFAOYSA-N 350.397 4.188 0 1 FIAF C[C@@H]1[C@@H](c2ccc(F)cc2)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 16958570 WTOYXTZDCYEBQM-HBUDHLSFSA-N 355.409 4.137 0 1 FIAF Fc1cc(-c2ccccc2Cl)cc(-n2nnc(-c3ccccn3)n2)c1 28383096 CFVIILYNJNMXMO-UHFFFAOYSA-N 351.772 4.184 0 1 FIAF N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1 45497384 KDQVIWLGGYIZDX-QHCPKHFHSA-N 373.500 4.292 0 1 FIAF c1cc(Nc2ccc(NC3=NCCS3)cc2)ccc1NC1=NCCS1 66104031 YXEAMDHIVHJRIU-UHFFFAOYSA-N 369.519 4.460 0 1 FIAF Oc1cccc(-c2nc(-c3ccc(Cl)cc3)cc(N3CCOCC3)n2)c1 66262070 LNGHRCKZJYUJFT-UHFFFAOYSA-N 367.836 4.006 0 1 FIAF COc1cccc(CNC(=O)c2cc3ccc(-c4ccncc4)cc3[nH]2)c1 73161056 AFQPQTLWXJCEPZ-UHFFFAOYSA-N 357.413 4.169 0 1 FIAF COCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 82163337 GTIWIQVRJZJUTE-UHFFFAOYSA-N 362.458 4.479 0 1 FIAF O=C1CC(=O)CC(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 102893975 MCGIWMAVEWETEI-UHFFFAOYSA-N 354.246 4.041 0 1 FIAF Cc1ccccc1CSc1nc2nncc-2c(O)n1-c1ccccc1C 103952447 CFNNDDDAWCKRSC-UHFFFAOYSA-N 362.458 4.382 0 1 FIAF COc1cc([C@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@H](C)[C@@H]2C)cc(O)c1OC 299833413 RYXZHMFDFUHLJB-VTLGYEHRSA-N 372.417 4.223 0 1 FIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(F)cc(Cl)cc2[nH]1 587039875 WMAURMRIMMAGFF-UHFFFAOYSA-N 369.809 4.221 0 1 FIAF C[C@H](c1nc2cc(F)cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128583 BRMUKDHWZHOCRN-SCSAIBSYSA-N 365.693 4.431 0 1 FIAF C[C@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587158364 WXUFCAHREJRIPO-MRXNPFEDSA-N 365.195 4.195 0 1 FIAF C[C@H](C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccccc1 587274504 WXESZFWETDPKIJ-JTQLQIEISA-N 360.207 4.069 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3ccnc3)cc1Cl)O2 587376089 PWPIHJNOQRMBLV-GOSISDBHSA-N 353.809 4.123 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1F)O2 587381029 FIMOGPNSMZXZKG-OAHLLOKOSA-N 350.187 4.185 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cccnc4)cc1)[C@@H](C2)C3=O 587437402 ZLTKXNYCPUCYSI-AVRDEDQJSA-N 359.381 4.371 0 1 FIAF O=C1C[C@H](c2ccnc(Br)c2)Oc2c1ccc1c2CCCC1 587499036 QLEMCBGTYLUGHL-MRXNPFEDSA-N 358.235 4.429 0 1 FIAF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2cccnc2)n1 587514078 FJXBTVHGAOIHEJ-HXUWFJFHSA-N 359.429 4.067 0 1 FIAF COc1ccc2[nH]c(O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587528283 YOTUKVXSNYIRQN-IBGZPJMESA-N 363.413 4.467 0 1 FIAF Cc1cnc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587552484 RUIQQTWNQUTSPG-LPHOPBHVSA-N 367.788 4.452 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Cl)c1F 587569631 ROEKWHGIUSQQLY-KSSFIOAISA-N 371.751 4.283 0 1 FIAF CC(=O)C[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604995 WPGNLASQMZAUCA-WQFQCULDSA-N 366.413 4.262 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1scnc1C1CC1 587617215 JHAVEQIBKMGMAU-DNVCBOLYSA-N 365.410 4.429 0 1 FIAF CC(C)(C)OC(=O)Nc1c(Cc2ccncc2)[nH]c2c(C(=O)O)cccc12 587637769 IHPFBERMVPVBMW-UHFFFAOYSA-N 367.405 4.199 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(F)c2F)N1 587719802 LYDGEQZKCYGDMG-GYKQLYQFSA-N 372.184 4.196 0 1 FIAF CC/C(C)=C(\N)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587746762 HWODNGYXUOKXIU-GRZVBFSBSA-N 355.295 4.370 0 1 FIAF CCOc1ccccc1OCc1nc2cc(Br)c(C)nc2[nH]1 587780333 PZTBKDJVJOBYDB-UHFFFAOYSA-N 362.227 4.007 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cccnc23)N1 587804516 RKNMGQZERBUZCF-YPMLDQLKSA-N 374.257 4.262 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2c(c1)CCC2 587870500 KZSYSMVFBWGFRR-UHFFFAOYSA-N 350.393 4.265 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(N(C)C)cc1 587872544 ZXQWZCJRHUUKTM-UHFFFAOYSA-N 368.412 4.234 0 1 FIAF CCN(CC)c1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874187 WOBOPVURXKDSKV-UHFFFAOYSA-N 351.381 4.330 0 1 FIAF CCOc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1OCC 587874233 YQAQOUWSDZHESO-UHFFFAOYSA-N 368.364 4.281 0 1 FIAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(C(=O)O)cc4[nH]3)c2)c1 587933363 MTXWDGYQMYBNEE-UHFFFAOYSA-N 360.369 4.309 0 1 FIAF C[C@@H]1Sc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N=C1c1ccccc1 653834550 OMXOROAIBLTXLR-ZDUSSCGKSA-N 372.457 4.082 0 1 FIAF O=C(O)CCCCCC[C@@]1(c2ccccc2)NCCc2ccc(O)cc21 963343357 UMHPERTZZHDYOM-QFIPXVFZSA-N 353.462 4.207 0 1 FIAF C/C(=C\c1cc2ccc(C(=N)N)cc2o1)c1cc2cc(C(=N)N)ccc2o1 2382228788 BYZKZCJBKIVSBB-IZZDOVSWSA-N 358.401 4.308 0 1 FIAF COc1cccc(-c2cnc3c(NC(C)=O)cc(-c4ccncc4)cn23)c1 61895828 MIYQEMZLRFZGFC-UHFFFAOYSA-N 358.401 4.030 0 3 FIAF O=C(NC1CCCCC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 5231588 BTMIWPILUKJBGJ-UHFFFAOYSA-N 370.518 4.314 0 1 FIAF CC[C@]1(C)CC(=O)c2c(ccc3oc(C(=O)NCc4ccco4)c(C)c23)O1 6808077 FOVFCBUGHUWZCR-OAQYLSRUSA-N 367.401 4.398 0 1 FIAF Cc1cc(-c2ccc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)s2)on1 7005566 DAMIVUQUQCOPJJ-OAHLLOKOSA-N 374.487 4.067 0 1 FIAF COc1c2c(c(COC(=O)C=C(C)C)c3c(C)coc13)[C@@H](C)[C@@H](O)C=C2 13300580 KRTZWKXGTALWRE-BBRMVZONSA-N 356.418 4.250 0 1 FIAF biogenic O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1C1CCCCC1 13674431 FCXWHPXCAHMELT-VXKWHMMOSA-N 368.521 4.397 0 1 FIAF COc1cc(OCC=C(C)C)cc2c1[C@H]1Oc3cc(O)ccc3[C@H]1CO2 14820436 BFYZUNBXRVPQIE-IERDGZPVSA-N 354.402 4.356 0 1 FIAF biogenic CCCCC[C@H](O)c1cccc(OCc2ccc(OCC(=O)OC)cc2)c1 25984824 IBTLDTAFPMIQFF-NRFANRHFSA-N 372.461 4.431 0 1 FIAF C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28095151 RZMHSHIIWPYBCZ-NDJPSFBPSA-N 365.473 4.289 0 1 FIAF O=C(N1CC[C@@]2(CCc3ccccc32)C1)C1(c2ccc(Cl)cc2)CC1 56834458 IZOFFRWQNSMOTN-NRFANRHFSA-N 351.877 4.488 0 1 FIAF CCc1cc(Nc2cc3ncn(CCCCCOC)c3c(=O)[nH]2)ccc1C 72175375 VAQUTRBCBLXMLL-UHFFFAOYSA-N 368.481 4.156 0 1 FIAF CCNC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 84714878 IAFCPJBLADLACE-LCDGHNAASA-N 360.542 4.286 0 1 FIAF Oc1ccc(CN[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1 103228717 FVTVZPSASHCSPZ-GGAORHGYSA-N 359.469 4.471 0 1 FIAF Cc1cc(C)n2nc(SCc3nc(-c4ccc(F)cc4)cn3C)nc2c1 113421503 BQCQGORETGJNHC-UHFFFAOYSA-N 367.453 4.178 0 1 FIAF C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 116230481 DZRUCRKWBXDZRX-LBPRGKRZSA-N 351.381 4.123 0 1 FIAF CCC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(O)cc4)oc3c2)[C@H]1C 139337489 VBIZRQTVHKBNPI-LRDDRELGSA-N 363.417 4.087 0 1 FIAF C[C@]1(c2cccc(Nc3cccc4oc(C5CC5)nc34)c2)COCC(N)=N1 143086726 QPTMIQYCEQIDKW-OAQYLSRUSA-N 362.433 4.051 0 1 FIAF CO[C@@]1(C/C(C)=C/CC/C(C)=C/C(=O)OCc2ccoc2)C=C(C)C(=O)O1 144755437 UCSUUUDHPKKOSU-RSKUJVSNSA-N 374.433 4.232 0 1 FIAF N=c1[nH][nH]c2cccc(-c3cccc(NC(=O)Nc4ccccc4F)c3)c12 473149711 KGDCLBSSFDWLFY-UHFFFAOYSA-N 361.380 4.426 0 1 FIAF Cc1ccc(NC(=O)CSCCc2nc3cc(F)cc(F)c3[nH]2)cc1 586970117 GNMBHZJZOYBGEN-UHFFFAOYSA-N 361.417 4.064 0 1 FIAF CC(C)(C)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 587040275 GUPQTVPICVQUEB-DOTOQJQBSA-N 352.507 4.202 0 1 FIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587067782 OXDORCXDSUVYHC-GFCCVEGCSA-N 357.841 4.367 0 1 FIAF C[C@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)c1ccccc1C(F)(F)F 587099025 VYEFLSQHJXSYTQ-JTQLQIEISA-N 368.380 4.137 0 1 FIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)cc(F)c2[nH]1 587162931 HLKVQAPAKVTRFG-HNNXBMFYSA-N 366.209 4.255 0 1 FIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(Cl)ccnc2[nH]1 587168161 UANZHBSHCWXFQI-CYBMUJFWSA-N 359.792 4.119 0 1 FIAF C[C@@]1(c2ccncc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333600 KUYDCAQQDZGWEF-CTNGQTDRSA-N 367.351 4.340 0 1 FIAF CCCC[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349589 QBWZVWBDIWJQEV-PZJWPPBQSA-N 358.409 4.466 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(Cc1cc(Cl)cnc1Cl)[C@@H](C2)C3=O 587422803 UVSRXTHSABMLEU-SCLBCKFNSA-N 364.228 4.146 0 1 FIAF Cn1cc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516859 FOHIRVMMIFAPHV-QHCPKHFHSA-N 358.441 4.208 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(F)c(F)c1 587558791 UOJWMTLRGIPKSY-OXJNMPFZSA-N 370.307 4.079 0 1 FIAF CCN(CC)CCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587741652 OHKVOCUZUZYEJR-FZKQIMNGSA-N 371.338 4.460 0 1 FIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1 587746599 HLTLAOGTXVFBIA-VOJFVSQTSA-N 363.274 4.277 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccccn23)N1 587775525 RKNRCDIKIOAJJT-VOJFVSQTSA-N 374.257 4.034 0 1 FIAF COc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810953 YPFQKWZELHPAPA-ZMZPIMSZSA-N 364.258 4.395 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C=O)cc2)N1 587816646 ZJVGULDEZIAMLY-BBATYDOGSA-N 362.242 4.198 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(O)cc2)N1 587830088 BCMYJNIUBKPMEA-ADLMAVQZSA-N 364.258 4.286 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1Cc1ccc(OC)c(OC)c1 587872520 ZGVMQLDRNKSWFD-UHFFFAOYSA-N 356.397 4.153 0 1 FIAF CC(=O)Nc1ccc(-c2nc[nH]c2-c2cccc(Br)c2)cc1 653856166 BNNYNYSVNRENIF-UHFFFAOYSA-N 356.223 4.465 0 1 FIAF Cc1cc2c(cc1F)[C@](c1ccc(Cl)cc1)([C@@H](C)CC(=O)O)NCC2 962140921 AAMJTMJQLDQBKI-RNODOKPDSA-N 361.844 4.288 0 1 FIAF Cc1ccc([C@]2(C)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cn1 962633847 GVUVMPAMDNNFGD-ILBGXUMGSA-N 369.512 4.400 0 1 FIAF NC[C@@]1(c2c(F)cccc2Cl)NCCc2cc(-c3ccccc3)ccc21 962674392 WPFPWLLFGYAKMT-JOCHJYFZSA-N 366.867 4.494 0 1 FIAF CCc1ccc([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962702578 BIDOIHLMNXZFGA-YOEHRIQHSA-N 353.409 4.220 0 1 FIAF COc1cccc(OCc2ccccc2)c1[C@]1(C)NCCc2c(C)ccnc21 963078157 XMHBIMFJIZOTPP-DEOSSOPVSA-N 374.484 4.387 0 1 FIAF C[C@H](COc1ccccc1)Oc1ccn(-c2ccc(Cl)cc2)c(=O)c1 1857583680 JGNOLTRJUXAMGE-OAHLLOKOSA-N 355.821 4.337 0 1 FIAF CCC[C@@H](C)C(=O)Nc1nc2ccc(C)cn2c1C(=O)NC1CCCCC1 1857614550 IWRYSJQFPOUUAA-OAHLLOKOSA-N 370.497 4.080 0 1 FIAF FC(F)(F)c1n[nH]cc1-c1nc2ccc3n[nH]cc3c2c2c1CCCC2 1857620634 VWBUFGGJMMUSBL-UHFFFAOYSA-N 357.339 4.399 0 1 FIAF CO[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@]12C 2356441673 AKWYEFNEYNPFKW-VMRCMBGLSA-N 360.450 4.402 0 1 FIAF CCC1=CN(CC(=O)c2ccc(I)cc2)[C](C)C=C1 2356809493 NRCHYAMXQQDIIP-UHFFFAOYSA-N 366.222 4.191 0 1 FIAF Cc1ccc(C2=CCN(CCCc3nc(O)c4ccccc4n3)CC2)cc1 13581590 IJDSWKBMRAAJPU-UHFFFAOYSA-N 359.473 4.366 0 1 FIAF NCc1c(N)nc(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1Cl 14948359 OVTWFYBUKKHDFE-UHFFFAOYSA-N 363.223 4.297 0 1 FIAF Cc1ccnc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)c1 28572021 QNTKEMOFVQAJMA-UHFFFAOYSA-N 367.405 4.161 0 1 FIAF O=C(NCc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1 36188108 URCACYFHUSYVIV-QFIPXVFZSA-N 363.505 4.123 0 1 FIAF COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1 72123554 ZDMSIBPMTYWVFO-UHFFFAOYSA-N 364.489 4.192 0 1 FIAF c1cnc2nc(Oc3ccc(OCCN4CCCCC4)cc3)sc2c1 95560700 XTCOURRKNYLYQZ-UHFFFAOYSA-N 355.463 4.348 0 1 FIAF O=C1c2sc(COc3ccccc3)nc2CCN1c1ccc(F)cc1F 96283919 JKEBAKOBVOSNMX-UHFFFAOYSA-N 372.396 4.203 0 1 FIAF COc1ccc([C@@]2(c3cccc(-c4cccnc4)c3)N=C(N)CS2)cc1 96906034 JFLAZALMCCYJTK-OAQYLSRUSA-N 361.470 4.062 0 1 FIAF CC1=CC(=O)O[C@H]2C=C(OCCOc3ccc(C(C)(C)C)cc3)C=C[C@H]12 96915542 JXSDWFXCOLPHSF-UXHICEINSA-N 354.446 4.321 0 1 FIAF C[C@H](CF)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N(C)C2 169336018 ZSLWUVZDXDAKIP-ICTVWZTPSA-N 353.865 4.055 0 1 FIAF Oc1cc(N2CC=C(c3ccccc3)CC2)c(O)n1-c1ccc(F)cc1 169691762 AZHCAJRQEUCJDR-UHFFFAOYSA-N 350.393 4.321 0 1 FIAF Cn1c(-c2cccc(Br)c2)cs/c1=N\C(=O)c1ccccc1 207453163 VYKXTXOTOKSUGE-ZPHPHTNESA-N 373.275 4.257 0 1 FIAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(-n3cnnn3)cc2[nH]1 586879101 OWEWXWUMTRVRCG-UHFFFAOYSA-N 352.401 4.181 0 1 FIAF Oc1cccc2c1OCC(c1nc3cc(F)c(Br)cc3[nH]1)=C2 586907853 KBZXLMVPLWCRDZ-UHFFFAOYSA-N 361.170 4.103 0 1 FIAF C[C@@H](Sc1ncccn1)c1nc2cc(F)cc(Br)c2[nH]1 586962298 PMZAJJKCEWXWDO-SSDOTTSWSA-N 353.220 4.108 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587036420 ASIOHFIKHMHNMP-KRWDZBQOSA-N 358.488 4.109 0 1 FIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587043503 RRXRFUXKTLXVPF-NSHDSACASA-N 357.401 4.202 0 1 FIAF COc1cc(-c2nc3cccc(Br)c3[nH]2)cc(Cl)c1O 587045697 CMASKOJRXYDWRO-UHFFFAOYSA-N 353.603 4.360 0 1 FIAF Nc1c(-c2nc3cccc(Br)c3[nH]2)cnc2c(F)cccc12 587175966 DFBYUGWSPGIXET-UHFFFAOYSA-N 357.186 4.262 0 1 FIAF Cc1ccnc2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc12 587189571 BFFZOVMWBJFSHS-MRXNPFEDSA-N 352.438 4.223 0 1 FIAF CC(C)Oc1cc2nc([C@H](C(C)C)N(C)C)[nH]c2cc1Br 587198978 UAADZAMAHNEYST-HNNXBMFYSA-N 354.292 4.371 0 1 FIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ncccc32)[C@@H]1c1ccc(F)cc1 587343851 DSZDAKBJZGFROQ-IFMALSPDSA-N 361.372 4.127 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC3CCCCC3)nc1)O2 587393307 FTEXISRLVNXPBP-LJQANCHMSA-N 352.434 4.390 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(Br)s1)[C@@H](C2)C3=O 587451689 LMNZRASUKBFUAY-BONVTDFDSA-N 365.248 4.316 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc3c(c1)CCO3)CC2=O 587494201 XSKRQFFSPVDFCZ-INIZCTEOSA-N 352.430 4.246 0 1 FIAF C[C@]1(c2cccc(OC[C@@H]3CO3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587535000 HSACTRVFCHZLLE-WZONZLPQSA-N 364.441 4.224 0 1 FIAF CCOC1=C[C@@]2(CCC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593494 DUPZBGSKMCQJBZ-WIYYLYMNSA-N 352.386 4.197 0 1 FIAF COC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12 587637692 NUWPVTXZGXGWKZ-UHFFFAOYSA-N 355.365 4.168 0 1 FIAF COCC[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790300 FSKBBAHMAFBVOG-DIFFPNOSSA-N 358.295 4.400 0 1 FIAF CC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587815581 NVHHKOXXUCICEB-XTZNXHDOSA-N 362.242 4.414 0 1 FIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)[C@H](C)Oc1cccc(F)c1 963635650 NILCMRIFBUSXEJ-RXSFTSLZSA-N 359.441 4.060 0 1 FIAF NC(=O)c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1 1772612461 FPUBKZZHNVRSOB-UHFFFAOYSA-N 358.323 4.005 0 1 FIAF Cc1cc(-c2ccc3nc(=N[C@@H](C)c4ccccc4)[nH]n3c2)cc(C)c1O 1911586013 KBGPVDCWIZHPHV-INIZCTEOSA-N 358.445 4.314 0 1 FIAF O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2oc(=O)ccc2c1 2382221597 NNAQWWLMBDNEAL-YCRREMRBSA-N 359.303 4.464 0 1 FIAF CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CC2CCC(C)CC2)CC1 61936135 FLRXQUJVYCTVIT-PAQOUXTFSA-N 365.631 4.130 0 3 FIAF COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C 84460207 ZISDHYZYWRLHTQ-IINYFYTJSA-N 359.775 4.152 0 3 FIAF NC(=O)c1ccc2[nH]c(-c3ccc(Sc4ccc(O)cc4)cc3)nc2c1 3815908 AYVQDEPKWVWSGO-UHFFFAOYSA-N 361.426 4.186 0 1 FIAF O=c1c(Nc2ccccc2)cccn1[C@@H](CN1CCCC1)c1ccccc1 13488451 JCLIAVBGZKSIAH-QFIPXVFZSA-N 359.473 4.277 0 1 FIAF COc1ccc(C(OC2C[C@@H]3CC[C@H](C2)N3C)c2ccc(OC)cc2)cc1 13737814 UVTIKAPUYIWFDZ-QIDMFYOTSA-N 367.489 4.435 0 1 FIAF COc1ccc(CCCCNCCOc2ccc(F)c3c2OCCC3)cc1 13761781 BEDFAHBKPZRACP-UHFFFAOYSA-N 373.468 4.151 0 1 FIAF COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(OC)ccc23)o1 13864638 FDGPFUVOVQRGGJ-UHFFFAOYSA-N 362.385 4.140 0 1 FIAF COc1c(C(C)C)cc2c(=O)cc3c(cc2c1OC)C=C[C@@H](O)C3(C)C 14721133 MXUPLQRDHTZMSF-LJQANCHMSA-N 354.446 4.006 0 1 FIAF biogenic COc1c2c(c(OC)c3occc13)O[C@H](c1ccccc1)[C@H](OC)[C@H]2OC 15045231 DUBHYVXCUVFSJU-BPAFIMBUSA-N 370.401 4.286 0 1 FIAF biogenic CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(O)cc21 28526345 JMZGMPBGCNDQAB-UHFFFAOYSA-N 356.510 4.063 0 1 FIAF Cc1ccc([C@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3)O2)cc1 28766077 KKNGDXTXRQOVRK-UXHICEINSA-N 354.837 4.486 0 1 FIAF CC[C@]1(C(=O)N[C@@H](C)COc2cc(F)ccc2F)[C@H](C)C1(Cl)Cl 29345164 MPBOAHOSHQCIGL-AMJWSMQMSA-N 366.235 4.068 0 1 FIAF CC(C)N(C=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 36189630 LTWNPNPVOVXRJF-COHXAYOXSA-N 374.569 4.085 0 1 FIAF O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)c1ccccc1 72102145 HSSOSGXRHLAIAL-KRWDZBQOSA-N 357.335 4.015 0 1 FIAF CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3cccc(F)c3)n2)C1 82068881 JRPFBMYBYZBGRP-FOIQADDNSA-N 359.445 4.397 0 1 FIAF COc1cccc(Nc2nnc([C@@H](O)c3ccc(F)c(Cl)c3)s2)c1 82078262 RSXRAIBUNAFUOG-AWEZNQCLSA-N 365.817 4.165 0 1 FIAF Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)N2CCCCC2)c1 82146050 JBSFYTOQRKHNLL-UHFFFAOYSA-N 364.493 4.433 0 1 FIAF O=C(c1cnc(NC2CCCC2)nc1-c1ccccc1F)N1CCCCC1 82151997 RJLMZOSRQCVAPT-UHFFFAOYSA-N 368.456 4.263 0 1 FIAF CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)OCC3=O)CC1 84713034 MSLGCJRBTZTIQC-UHFFFAOYSA-N 374.481 4.101 0 1 FIAF Oc1cccc2c1[C@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 100721997 MGZRIZNFYLISSD-SIKLNZKXSA-O 356.401 4.290 0 1 FIAF O=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1 103267922 MEQSYHAOFHYCDE-UHFFFAOYSA-N 374.459 4.498 0 1 FIAF Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]1COc2ccccc2C1 142926031 XUSNOOWXXNLURK-KRWDZBQOSA-N 362.404 4.265 0 1 FIAF COc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 167708713 VRIJZQYOOVLEAY-UHFFFAOYSA-N 374.429 4.382 0 1 FIAF CCOc1ccc2nccc(NCCc3ccc(OC)c(OC)c3)c2c1 169341907 YIIWNIGNBVHUSN-UHFFFAOYSA-N 352.434 4.305 0 1 FIAF Cc1cnc2c(NS(=O)(=O)c3ccc(Cl)cc3F)cccc2c1 205621445 UTBRRWBNEZHWAV-UHFFFAOYSA-N 350.802 4.137 0 1 FIAF COc1cc(O)ccc1-c1coc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 220454568 QUFWWUKRULQTCO-UHFFFAOYSA-N 366.369 4.064 0 1 FIAF Cc1cc(C)c(-c2[nH]ncc2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 220778028 MAOATWIERYQJQU-UHFFFAOYSA-N 370.456 4.113 0 1 FIAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2cccc(F)c2)n(CC(F)(F)F)n1 299824566 LKMCYAKQUCOEKN-CABZTGNLSA-N 356.323 4.352 0 1 FIAF Nc1ccnc2[nH]c(COc3ccc4ccccc4c3Br)nc12 587002930 ZBADDNIWYUWKPE-UHFFFAOYSA-N 369.222 4.035 0 1 FIAF Cc1onc(-c2nc3nccc(C)c3[nH]2)c1COc1ccccc1Cl 587063680 RXUWBLGLMTYSFP-UHFFFAOYSA-N 354.797 4.462 0 1 FIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3nccc(Br)c3[nH]2)n1 587079908 LTZPKJHRLGNWRY-SSDOTTSWSA-N 354.639 4.208 0 1 FIAF CC(=O)c1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587168568 ZXHHBUQSCYMQEZ-GOSISDBHSA-N 366.396 4.274 0 1 FIAF CN(C)c1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)nc1 587194492 GWLRIZFCAOSUEU-UHFFFAOYSA-N 356.735 4.243 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(CN3CCCC3)cs1)O2 587409555 HZTVUQDXWQCSPV-HXUWFJFHSA-N 356.491 4.115 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc4cc(C)cc(C)c4nc1O)[C@@H](C2)C3=O 587435192 CJCOYBUDXPBTBS-BTYIYWSLSA-N 361.397 4.055 0 1 FIAF CCOc1cccc(OCC)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443986 XKIKKHKZDZBKDO-QRQCRPRQSA-N 368.429 4.155 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-n1cccn1)CC2=O 587481041 XOCJROADYZUBOA-JOCHJYFZSA-N 362.429 4.411 0 1 FIAF Cc1nn(-c2ccccc2)c(N)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514137 FTMWCEPFVKMTME-FQEVSTJZSA-N 373.456 4.348 0 1 FIAF COCCc1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587639159 WSJKXZOSHMRDTC-UHFFFAOYSA-N 374.234 4.485 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c[nH]nc3c2)N1 587798162 UMARXVMNRCYOHQ-HUTHGQBESA-N 360.230 4.088 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COCc2ccccc2)N1 587800714 HOUWRNSHHQOWKT-SGTLLEGYSA-N 364.258 4.380 0 1 FIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CCN1CCCCC1 587866083 DXSHQPSWRDEZJA-UHFFFAOYSA-N 367.415 4.454 0 1 FIAF COc1ccc2cccc([C@]3(C)NC[C@@H]4CC(=O)N(C)c5cccc3c54)c2c1 963036283 XDAFULFBZMZFBB-FYSMJZIKSA-N 372.468 4.165 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CC=C[C@](C)(O)C[C@H](O)[C@@H]12 2356520618 SVFYCYBARKSVJH-MSXUYQLKSA-N 364.526 4.015 0 1 FIAF O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2ccsc2)cc1 13913052 BLTZCNFSGZPIFQ-NRFANRHFSA-N 362.498 4.419 0 1 FIAF COc1cc(C[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)cc2c1OCO2 14646468 AUXKXHAVSAUIQX-KGLIPLIRSA-N 356.418 4.210 0 1 FIAF biogenic Cc1nccn1CCCCCC(C(N)=O)(c1ccccc1)c1ccccc1 26273199 YASGIWGBBQTURX-UHFFFAOYSA-N 361.489 4.224 0 1 FIAF COc1c(C)c2c(c(C)c1Cl)C(=O)Oc1cc(C)c(C=O)c(O)c1O2 32147202 GXLRAMMQUGVYLZ-UHFFFAOYSA-N 362.765 4.117 0 1 FIAF biogenic CCC[C@@H](CC1(C(=O)NCCc2ccc(Cl)cc2)CCCC1)C(=O)O 35982884 ODYNFQAKYMVEJJ-INIZCTEOSA-N 365.901 4.450 0 1 FIAF COc1ccc(CCN2C(=O)CS[C@]23CCc2cc(Cl)ccc23)cc1 38149928 DSPYKXQCHVMBSD-FQEVSTJZSA-N 373.905 4.266 0 1 FIAF CC[C@@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 40373789 UMODTPQPINIWKV-HKDUHGGJSA-N 353.506 4.066 0 1 FIAF CNC(=N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)NC)cc3)cc2)cc1 40847328 BSJIHWXMHPWPOR-UHFFFAOYSA-N 372.476 4.153 0 1 FIAF CC[C@@H](CO)Nc1cc(-c2[nH]c(SC)nc2-c2ccc(F)cc2)ccn1 40936056 MVGCHYPFKGXJLN-HNNXBMFYSA-N 372.469 4.183 0 1 FIAF O=C(N1CCC(CCSc2ncc[nH]2)CC1)C12CC3CC(CC(C3)C1)C2 43174146 VIZJXCKMUZHUJJ-UHFFFAOYSA-N 373.566 4.347 0 1 FIAF O=c1cc(Cn2ccnc2)c2ccc(Oc3cccc(Cl)c3)cc2o1 66102874 FKPNHEVYNWYAOD-UHFFFAOYSA-N 352.777 4.484 0 1 FIAF CCCCOc1cc(O)c2c(=O)cc(-c3ccc4c(c3)OCCO4)oc2c1 96273316 NIQKIKPMFAZZRN-UHFFFAOYSA-N 368.385 4.116 0 1 FIAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 101152252 BCHOSNDXBYSKLO-WKCHPHFGSA-N 350.462 4.455 0 1 FIAF CC1(C)CC2=Nc3nc(S)nc(O)c3[C@H](c3ccc(F)cc3)C2=C(O)C1 104115851 KSYBVKPYJPURCY-CYBMUJFWSA-N 371.437 4.460 0 1 FIAF CC1(C)CC(=O)[C@H]2C(=Nc3nc4c(c(N)c3[C@H]2c2ccncc2)CCCC4)C1 169720992 NEJAUGQGKHCLHV-RBUKOAKNSA-N 374.488 4.161 0 1 FIAF O=c1cc(O)cc2oc(C(c3ccccc3)c3ccccc3)c(O)c(O)c1-2 169729453 OOCGOTPXCMBDOW-UHFFFAOYSA-N 360.365 4.042 0 1 FIAF O=C1c2c(ccc3ccccc23)O[C@@H]2c3[nH]c4ccc(O)cc4c3CCN12 220400796 SVGZOZFOEZHXLM-JOCHJYFZSA-N 356.381 4.116 0 1 FIAF CCCCC/C=C\CCC(=O)CCCCCCCC(=O)OC(CO)CO 238775355 BWISWMPEIXFANG-VURMDHGXSA-N 370.530 4.099 0 1 FIAF Cc1ccc([C@@H]2OC(=O)O[C@]3(c4ccc(C)cc4)CCN(C)C[C@H]23)cc1 253635068 BGZGKVAVORWNIY-URVUXULASA-N 351.446 4.359 0 1 FIAF Cc1cc(C)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 587042870 NVFZBGZRCTXXPN-OAHLLOKOSA-N 357.866 4.489 0 1 FIAF C[C@]1(c2nc3ccc4c(c3[nH]2)CCCC4)Cc2ccc(F)cc2C(=O)O1 587174192 NTZNCSVOZTXOSI-OAQYLSRUSA-N 350.393 4.209 0 1 FIAF COc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1F 587236052 WXOFCCLRGQWKSB-DGCLKSJQSA-N 363.433 4.262 0 1 FIAF N=c1cc(-c2nc3cc(Br)cc(F)c3[nH]2)c2ccccc2[nH]1 587254483 VGUDGCZEXOXGOG-UHFFFAOYSA-N 357.186 4.092 0 1 FIAF C[C@@]1(CN2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345927 QTGCVGMEUALHFK-IRLDBZIGSA-N 369.436 4.135 0 1 FIAF C[C@]1(CN2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345930 QTGCVGMEUALHFK-RBBKRZOGSA-N 369.436 4.135 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1C(=O)OC(C)(C)C)O2 587402612 ZXBJUDGXZKTKIP-GOSISDBHSA-N 353.418 4.239 0 1 FIAF COc1ccccc1-c1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 587413436 NXTGCQMRKAHJJS-QGZVFWFLSA-N 366.442 4.416 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C(=O)OCC)C1CCCC1)CC2=O 587477506 CRSQVAJBKWEZEA-KNQAVFIVSA-N 374.477 4.438 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cn1 587555181 ZFKZYPGMMFEYAM-VQIMIIECSA-N 353.761 4.144 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(F)c2)N1 587729435 GXQKDLUYHWAASV-BCTVWOGZSA-N 354.194 4.057 0 1 FIAF CC[C@@]1(c2ccc(F)cn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587735394 UHWWOKRZYOTQNJ-BMLIUANNSA-N 367.237 4.310 0 1 FIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587765133 BKYFWAGEXPVFAN-ZMZPIMSZSA-N 363.274 4.398 0 1 FIAF CC[C@]1(c2ncccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587767962 CBQNYMRIAPZGPB-SGTLLEGYSA-N 363.274 4.479 0 1 FIAF CCOc1ccncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587774997 PGMJPZKLQXLBAG-BMLIUANNSA-N 365.246 4.006 0 1 FIAF Cc1cccn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 587775277 QJPLDWAKWGJFFV-APPDUMDISA-N 374.257 4.168 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC23CCOCC3)N1 587836101 RRNSHIUSIWIICX-KPZWWZAWSA-N 368.290 4.298 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)s2)N1 587851827 CUCJXERIOHKJTO-SREIQFSDSA-N 361.667 4.322 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccccc1F 587871192 PYQMKMPWNIKMSY-CYBMUJFWSA-N 372.371 4.335 0 1 FIAF CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[C@@]1(C)NCCc2ccc(O)cc21 963343787 WQBABXWWFZBDKV-VGOFRKELSA-N 374.525 4.323 0 1 FIAF COC(=O)Nc1noc2cc(-c3c(-c4cc(C)ccn4)n[nH]c3C)ccc12 1772615712 UAEALQGZCHJASP-UHFFFAOYSA-N 363.377 4.075 0 1 FIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CCC(=CC(=O)O)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 2356417693 IWSKYCJOAZZKEJ-WSEGJOFWSA-N 364.482 4.308 0 1 FIAF CC(C)C(=O)OCCCN1C(=O)CCC12CCC(c1ccccc1)CC2 96019302 DMSQXMMBUNRROO-UHFFFAOYSA-N 357.494 4.295 0 3 FIAF O=C1COCc2cc(-c3cccnc3)ccc2N1Cc1cc(F)cc(F)c1 205232730 QOVRKKHSSSMVRS-UHFFFAOYSA-N 366.367 4.090 0 3 FIAF CCCN(CCc1cccc(F)c1)C1Cc2cc(OC)c(OC)cc2C1 13471426 NXLPPGJOKAJXLI-UHFFFAOYSA-N 357.469 4.265 0 1 FIAF O=C(O)CCc1ccc(NCc2cc(C(F)(F)F)cnc2Cl)cc1 14978994 WXJAAUGBSOYJOF-UHFFFAOYSA-N 358.747 4.383 0 1 FIAF COc1ccc(-c2scnc2-c2cc(OC)c(OC)c(OC)c2)cc1N 26846379 RMMPIHBMKPNINY-UHFFFAOYSA-N 372.446 4.094 0 1 FIAF COc1cc([C@H](OC)[C@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)ccc1O 29039204 GTPIPDMTEBZKCI-PXIJXODZSA-N 358.434 4.332 0 1 FIAF biogenic C[C@]12CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1CCc1cc3[nH]c4ccccc4c3cc12 49112983 XUTJPVCJXVRRLB-IRMYBRCSSA-N 363.457 4.387 0 1 FIAF biogenic,in-vitro NCCCCN1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1c1cccc(O)c1 49807788 OYOOWWPXFLBXTK-NRFANRHFSA-N 369.896 4.213 0 1 FIAF CC(C)(C)n1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc21 95582870 VIRRZTDSKWFONP-UHFFFAOYSA-N 373.460 4.410 0 1 FIAF Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4n[nH]c(=S)n4C=N[C@H]32)cc1 98084929 PISARBHCSOYSAU-ROUUACIJSA-N 359.458 4.110 0 1 FIAF Cc1nc(C(=O)NC[C@H]2C[C@@H]3C[C@H](C2)C3(C)C)c(C)n1-c1ccccc1 101321142 NFRUWGAYSYEKIJ-BCDXTJNWSA-N 351.494 4.291 0 1 FIAF COc1ccc(OC)c(/C=C/c2nnc(SC)n2-c2ccccc2)c1 103195860 OHJHTXVFVKYKFR-FMIVXFBMSA-N 353.447 4.177 0 1 FIAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@H]1c1ccccc1 198496865 ROECTXSVAJVSEX-FKBYEOEOSA-N 368.525 4.085 0 1 FIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC)c(C)cc2[nH]1 586917009 QQHWFKYOJPCHRU-QVKFZJNVSA-N 350.418 4.096 0 1 FIAF Clc1ccc2c(c1)C[C@H](c1nc3cc(Br)ncc3[nH]1)O2 587081425 VVCBDKGPHNPJQL-GFCCVEGCSA-N 350.603 4.050 0 1 FIAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnc2ccnn12 587107832 VODYACVEUUKHNB-UHFFFAOYSA-N 362.392 4.464 0 1 FIAF CCOC(=O)Cc1ccc2nc([C@H](CC)Oc3ccccc3F)[nH]c2c1 587154267 BARNINCVXXORJN-KRWDZBQOSA-N 356.397 4.338 0 1 FIAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)O2 587175617 ZYNZDTLBDREBJA-LBPRGKRZSA-N 373.256 4.427 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(Cl)n1)O2 587377946 QNWDNLBANKIUOS-ZDUSSCGKSA-N 367.630 4.095 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(F)(F)F)cc1)[C@@H](C2)C3=O 587418879 DQWLCSHFTJSJEB-KBXCAEBGSA-N 364.319 4.125 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccccc1Cl)[C@@H](C2)C3=O 587419232 KJQKNKWRODQJHB-RBZFPXEDSA-N 366.804 4.227 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc3ccccc3c21 587483887 MWQAUCJKZVIIIF-HSZRJFAPSA-N 373.408 4.311 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c3ncccc13)CC2=O 587486250 AUQKEQVGYIUGDY-QFIPXVFZSA-N 363.413 4.479 0 1 FIAF CCCn1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587578669 AZFPJVTUBFKOIJ-RXVVDRJESA-N 364.401 4.010 0 1 FIAF CC[C@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581285 VQVQYQQKVRKFGB-DENIHFKCSA-N 361.397 4.242 0 1 FIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587590479 CBIAYNZKBFVOTE-SIKLNZKXSA-N 362.381 4.412 0 1 FIAF C[C@@]1(c2ccc3[nH]ncc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598013 XFZVFNWDNVEJDU-UGKGYDQZSA-N 372.380 4.146 0 1 FIAF COc1cc(F)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587727098 AIFQOGASJMQRHV-XYZCENFISA-N 368.221 4.360 0 1 FIAF Cc1cncc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587773463 IVDDVFJSMWUZMA-MLGOLLRUSA-N 363.274 4.500 0 1 FIAF CCC[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587817193 JJCLRBWPYIEOIF-SEDUGSJDSA-N 368.290 4.487 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2cc(N)ccc2o1 587872340 VFPVAGJHQFCLSC-UHFFFAOYSA-N 365.364 4.105 0 1 FIAF CCOc1cc(-n2c(O)cc(-c3ccccc3)c2O)c(Cl)cc1C(=O)O 587939522 CDAGZZNXJPQCCC-UHFFFAOYSA-N 373.792 4.306 0 1 FIAF COc1cc2c(cc1OC)[C@](c1ccc(N)cc1)(C1CCC1)N(C)[C@H](C)C2 962621219 IQGHZONSNRHZDS-IQMFZBJNSA-N 366.505 4.206 0 1 FIAF CC=C1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OCC3CC3)cc12 1857609375 DIJGZISJTLGFGL-PDIWNELESA-N 364.489 4.098 0 1 FIAF CCCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C 1911582500 DBLRZXPOKOPCPV-UHFFFAOYSA-N 369.494 4.395 0 1 FIAF C[C@H](Oc1ccc(OCC2CCCCC2)cc1)C(=O)NCc1ccco1 1635032 MJENVWGJGBTLEC-INIZCTEOSA-N 357.450 4.322 0 1 FIAF C[C@H](C(=O)O)[C@@H]1Sc2ccccc2N(Cc2cccc(Cl)c2)C1=O 3050280 OCPWXJIVNZLDPI-ZBEGNZNMSA-N 361.850 4.068 0 1 FIAF CC(C)NC1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 12217787 JHLMREKDQMCTHV-GOSISDBHSA-N 365.521 4.144 0 1 FIAF O=C(CCC[C@H](O)CCc1ccccc1)c1ncc(-c2ccccn2)o1 14980110 GYMZRWOLXIOFJM-KRWDZBQOSA-N 350.418 4.083 0 1 FIAF CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCCC[C@H]1N1CCCC1 26838023 KILKAFDVKRZHIX-FGZHOGPDSA-N 350.506 4.248 0 1 FIAF COP(=O)(OC)O[C@H](C(C)(C)c1ccccc1)P(=O)(OC)OC 29227690 YVOWYJDQJSPUTA-ZDUSSCGKSA-N 366.287 4.194 0 1 FIAF COc1cc2c(cc1OC)Oc1ncnc(Nc3cccc(C)c3)c1NC2 38149531 KTEORODSZODNSV-UHFFFAOYSA-N 364.405 4.264 0 1 FIAF O=C(Nc1ccc(Cl)cc1)N1CCC[C@@](CCO)(c2ccccc2)C1 49111520 RIFYAWGYIHDAHH-FQEVSTJZSA-N 358.869 4.288 0 1 FIAF CSC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49112134 IVGCYVKQMZLFEE-HNNXBMFYSA-N 360.262 4.080 0 1 FIAF CCC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(-c3ccccc3)nc2c1 68894639 PXXRUTHYKIZABM-UHFFFAOYSA-N 358.405 4.112 0 1 FIAF Cc1ccc2oc(=O)cc(CC(=O)Nc3nc4ccc(F)cc4s3)c2c1 71340293 KKJFPQPKMNRAIO-UHFFFAOYSA-N 368.389 4.031 0 1 FIAF Cc1ccc(/C(=C/C(=O)NCCc2ccccc2)c2ccncc2)cc1C 103185955 PVSQUEFFXNLPFS-HAVVHWLPSA-N 356.469 4.489 0 1 FIAF NCCCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 150203830 QJZQFKUMJMSYPB-UHFFFAOYSA-N 350.443 4.007 0 1 FIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 586908663 SVTVURWAGUQSIR-MRVPVSSYSA-N 363.186 4.045 0 1 FIAF Cc1c(Cl)ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586967294 TWXCJOYQWNPKQY-UHFFFAOYSA-N 357.826 4.262 0 1 FIAF Cc1nc(COc2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)cs1 587020595 VTEOAGDUVMKYTK-UHFFFAOYSA-N 365.414 4.303 0 1 FIAF COC(=O)C[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H]1C 587107552 USMOFLNVTNQAQI-CHWSQXEVSA-N 357.409 4.285 0 1 FIAF CC(C)(C)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2n1 587117847 JKHQNLTYFLQROY-UHFFFAOYSA-N 363.387 4.396 0 1 FIAF NC(=O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587125901 VEJFFPLLOMADDA-FPYGCLRLSA-N 363.364 4.444 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)ccc(F)c1F)O2 587381612 KHQWVWXONKOTKM-ZDUSSCGKSA-N 368.177 4.324 0 1 FIAF CCOc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@H](C)C2 587407598 DASOEVIANGCOLD-ODXCJYRJSA-N 353.418 4.006 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCOc4ccc(Cl)cc41)[C@@H](C2)C3=O 587422368 PGPXSNCBCOYBNJ-YWZLYKJASA-N 356.805 4.164 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3cn(C)nc13)CC2=O 587476324 OKBMLXJGTYOWIR-OAQYLSRUSA-N 350.418 4.112 0 1 FIAF COCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587522235 GHWTXNZXANIZDG-OAQYLSRUSA-N 352.430 4.427 0 1 FIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncccc1Cl 587653873 NABOBAPCYBVCQY-UHFFFAOYSA-N 369.758 4.379 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2N)N1 587702559 ZZMXQKPZOZIGBG-BCTVWOGZSA-N 369.665 4.447 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccnc2Cl)N1 587714825 BRYDGFYHMAPPGD-UOWDBTKRSA-N 373.628 4.399 0 1 FIAF CC(C)N1CCC([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587766202 GEQDBGGGTBRINF-KZULUSFZSA-N 369.322 4.284 0 1 FIAF CCOc1ccc(OCC)c(-c2nc3ccnc(Br)c3[nH]2)c1 587777733 DEDQELNOJAPLIN-UHFFFAOYSA-N 362.227 4.185 0 1 FIAF COCCC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 587791929 JZAFDOPXGXMGHU-MEDUHNTESA-N 356.279 4.370 0 1 FIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587935856 JOJWSQXCOOTFFV-SDBXPKJASA-N 352.221 4.110 0 1 FIAF CCCC/C=C\c1nc2c(I)cnc(Cl)c2[nH]1 587965811 PLJJGBUQPNNQFL-WAYWQWQTSA-N 361.614 4.419 0 1 FIAF C[C@H]1Sc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N=C1c1ccccc1 653834549 OMXOROAIBLTXLR-CYBMUJFWSA-N 372.457 4.082 0 1 FIAF COc1cc(C[n+]2ccc3ccnc4c3c2-c2ccccc2-4)cc(OC)c1 1772606281 VMTVVQWFOYKWAI-UHFFFAOYSA-N 355.417 4.235 0 1 FIAF COc1ccc(-c2[nH]nc3ncc(-c4ccc(C)cc4N)cc23)cc1OC 1857540055 BAMDOMFYUQFDHZ-UHFFFAOYSA-N 360.417 4.200 0 1 FIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1C3=CC[C@@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@@H]12 2356484723 FXWZKNUSMJAEKJ-ZYOYCPDXSA-N 356.506 4.410 0 1 FIAF C[C@H](O)[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356639065 CPDJBCSZDAPYNC-RXQDMCOBSA-N 361.570 4.135 0 1 FIAF COC(C=CC(=O)O)=CC(C)=C[C@H]1CCCC(O)=C1c1cc(O)ccc1O 2356713479 JWYMNWHSOJGMDL-CQSZACIVSA-N 372.417 4.284 0 1 FIAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1cccc(C(F)(F)F)c1 2356866763 VOUIYZULMOEQEV-DVOMOZLQSA-N 356.388 4.374 0 1 FIAF Clc1ccc2nc(/C=C/c3ccncc3)cc(N3CCOCC3)c2c1 2382217555 QZUSBTSZDGJCNY-HNQUOIGGSA-N 351.837 4.290 0 1 FIAF CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2-c2nnn[nH]2)cc1 66138874 CCAYEYRKEDRZLK-UHFFFAOYSA-N 355.829 4.070 0 3 FIAF COc1cccc(NC(=O)Nc2c(-c3ccc(C)cc3)nc3ncccn23)c1 203466288 BZYIXJFCFMJAER-UHFFFAOYSA-N 373.416 4.357 0 3 FIAF COCOCc1cc(OCc2ccccc2)c(OC)cc1Br 1616016 HEGFXKNLADAHJJ-UHFFFAOYSA-N 367.239 4.157 0 1 FIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)Nc4oncc4C[C@H]32)C1 5711841 OEKPCRMLGNUUCU-RVEDGADZSA-N 370.493 4.496 0 1 FIAF CO[C@H]1c2ccc(Br)cc2C(n2ccccc2=O)=CC1(C)C 13832198 KSHDKUTWWUNBPC-KRWDZBQOSA-N 360.251 4.227 0 1 FIAF Cc1cccc(-n2nc(C)c3c(N4CCOCC4)nc4ccccc4c32)c1 26737842 FIKYBLHRLZTVBR-UHFFFAOYSA-N 358.445 4.027 0 1 FIAF CC(C)CCCOC(=O)c1cc(CO)cc(C(=O)OCCCC(C)C)c1 40876496 KMIRFDDXZDKNEP-UHFFFAOYSA-N 364.482 4.365 0 1 FIAF COc1ccc(C2=NN[C@@H](c3c(Cl)cccc3Cl)C2)cc1OC 43015432 VAVHIDCHVMLIOJ-CQSZACIVSA-N 351.233 4.449 0 1 FIAF CC(C)c1ccccc1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 64550087 WDMJNZFTFJQXQP-KRWDZBQOSA-N 372.408 4.413 0 1 FIAF COc1cccc(NC(=S)N[C@]2(c3ccccc3)CCOC(C)(C)C2)c1 72110807 HBGRRVQKBGCKTF-OAQYLSRUSA-N 370.518 4.466 0 1 FIAF CC[C@H](Cc1cc(F)cc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251356 IMDWWFBCGVBAMW-GOSISDBHSA-N 367.461 4.190 0 1 FIAF CCN(CC)c1ccc(CC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 103269187 UTTRMQFWQBBPHR-UHFFFAOYSA-N 361.489 4.142 0 1 FIAF CN(Cc1ccc(C(=O)c2ccc(O)c(F)c2)cc1)Cc1cccc(O)c1 169307921 KUYCJLJUBHNIOS-UHFFFAOYSA-N 365.404 4.100 0 1 FIAF CCOc1cc2c(cc1O)C[C@H](N=O)C[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 169716437 TWEVBMCEBNPRTH-CEXHLBRSSA-N 359.466 4.143 0 1 FIAF Cc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1Cl 586920321 IHUCWVWGXPBRTH-UHFFFAOYSA-N 374.893 4.030 0 1 FIAF O=C1CSc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2N1 587042293 CUWCDKTZIIJELU-UHFFFAOYSA-N 360.236 4.037 0 1 FIAF COC(=O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077911 ZIOGDQBJXCATRE-SFHVURJKSA-N 369.852 4.340 0 1 FIAF Cc1c(F)ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587163038 ZLBNMCBENHSSPC-UHFFFAOYSA-N 359.767 4.110 0 1 FIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(Br)c(F)c2[nH]1 587163912 OSVQHIVEBYBPRM-HNNXBMFYSA-N 366.209 4.255 0 1 FIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(F)cnc3[nH]2)c1 587196477 WTXLEAPNTSAGJT-UHFFFAOYSA-N 356.401 4.444 0 1 FIAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(C(N)=O)cc3[nH]2)c1 587241584 XPRQIFMNZOXSQC-UHFFFAOYSA-N 371.444 4.271 0 1 FIAF COc1nccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c12 587247217 KZMHPAUMBYBXCD-UHFFFAOYSA-N 360.417 4.381 0 1 FIAF CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587398639 FVWMFEFMRREUFJ-RQVMVGKASA-N 373.493 4.307 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)ccc1Br)[C@@H](C2)C3=O 587412711 JXKRBZJMKPZHAV-IFXJQAMLSA-N 373.246 4.429 0 1 FIAF CCOc1cc(Cl)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587421369 LHAHVARXQFYZLB-XCLFUZPHSA-N 374.820 4.245 0 1 FIAF Cc1cc(O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611325 SEYLHFITCGMAIF-DENIHFKCSA-N 362.381 4.283 0 1 FIAF CCN(CC)CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587741772 PATAXSLUMDPQGN-YVEFUNNKSA-N 357.311 4.070 0 1 FIAF Cc1cc(C)n(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587763334 JIXQBZSGXFGVDH-DYZYQPBXSA-N 366.278 4.067 0 1 FIAF CC(C)[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587768989 FRNGFPWLHRHJDU-XIKOKIGWSA-N 363.274 4.417 0 1 FIAF CC(C)[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587774017 KXZXXQJMYHORMN-XIKOKIGWSA-N 363.274 4.417 0 1 FIAF CCOc1ccc(OCC)c(-c2nc3cc(Br)cnc3[nH]2)c1 587778826 VBOBDAYMACKDSP-UHFFFAOYSA-N 362.227 4.185 0 1 FIAF CCOc1ccc(OCC)c(-c2nc3c(Br)ccnc3[nH]2)c1 587779005 WGTZNLLFBALTSN-UHFFFAOYSA-N 362.227 4.185 0 1 FIAF COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587810733 UIMDFUYEAVRSQP-BMLIUANNSA-N 350.231 4.220 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]32)N1 587827632 LICAKENWRCLZKK-QBZQTGTKSA-N 350.275 4.384 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(C)(C)CCC(=O)O)N1 587828741 PNMRJRNDJMTOET-QGHHPUGFSA-N 372.278 4.229 0 1 FIAF COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)cc1 587936094 RPWZRWOAJCVGBA-UHFFFAOYSA-N 371.396 4.236 0 1 FIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)cc(F)c4[nH]1)(C3)C2 587969626 RLHQQAZGORHCBH-JIIRDLKHSA-N 363.230 4.111 0 1 FIAF COc1ccc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(Cl)c1 962731898 UUQCCTGRTNLTCV-HZPDHXFCSA-N 369.770 4.084 0 1 FIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(c4ccc(F)cc4C[C@@H]4CCCN41)[C@H](C3)C2 963088293 DNMODDBXVHZYNG-GNZHWTDASA-N 369.480 4.041 0 1 FIAF CN1CCN(c2ccc(Nc3cc(-c4cc(Cl)cs4)[nH]n3)cc2)CC1 1857611164 KGCRHUPPZBGMKB-UHFFFAOYSA-N 373.913 4.287 0 1 FIAF CC(C)[C@@]1(O)CC[C@@]2(C)C=C[C@@H](C)C[C@@H](OC(=O)c3ccc(O)cc3)[C@@H]21 2356508003 AFNSACJBBUAMGY-VTIGABEFSA-N 358.478 4.317 0 1 FIAF CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N(C)Cc2ccccc2)C[C@@H]1C(C)C 2356525533 RPGFNNNMLBIJJJ-FDFHNCONSA-N 370.537 4.026 0 1 FIAF Cc1ccc(S(=O)(=O)c2ccsc2NC(=O)c2ccccc2)cc1 1653570 JKIAQPDERNGWCB-UHFFFAOYSA-N 357.456 4.142 0 3 FIAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(CO)cc1 603496 OLIBIMDVSSPPRA-UHFFFAOYSA-N 350.418 4.462 0 1 FIAF Cc1c(C(=O)N2CCCCCC2)sc2ncnc(N3CCCC[C@H]3C)c12 2924268 TZEQMYYUGOFPRY-CQSZACIVSA-N 372.538 4.395 0 1 FIAF Cc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1 13582639 YPDVNNOPAKMWBO-UHFFFAOYSA-N 370.338 4.257 0 1 FIAF CCCCCCOC[C@H](CO[P@](=O)(O)OC)OCCCCCC 13760009 MQMHHGBPYLEIJQ-MRXNPFEDSA-N 354.424 4.312 0 1 FIAF CCCOc1ccc2[nH]c3cnc(C(=O)OC(C)C)c(COC)c3c2c1 13780125 JJHDTZJRJLRYSK-UHFFFAOYSA-N 356.422 4.217 0 1 FIAF Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCC3=CCCCC3)c2)on1 20580034 UXVJTNXESDSDNY-UHFFFAOYSA-N 360.479 4.127 0 1 FIAF Fc1ccc([C@H](CCCNCCCc2c[nH]cn2)c2ccccn2)cc1 26169250 PUFSWHMBBYRZHB-FQEVSTJZSA-N 352.457 4.078 0 1 FIAF COc1ccc(C[C@@H]2NC[C@@H](C)c3c2[nH]c2c(C)cccc32)cc1OC 26668127 NIZFCRSGGQJYMN-PBHICJAKSA-N 350.462 4.484 0 1 FIAF CC1=CC[C@H](C[C@@H](O)c2ccccc2I)C(=O)CC1 26745265 UUAJNSLAOHKNRM-MLGOLLRUSA-N 370.230 4.030 0 1 FIAF O[C@@H](CCCN1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1 27732689 PNNXSSFXGRVLBA-NRFANRHFSA-N 356.416 4.318 0 1 FIAF O=[P@@H](O)[C@@H]1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 27899276 DJMKEPHXGAUOGR-HXUWFJFHSA-N 355.418 4.440 0 1 FIAF CCN(CC)CCn1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21 28569646 ABRLJDSDABFAQX-UHFFFAOYSA-N 359.473 4.492 0 1 FIAF COc1ccc([C@@H](c2ccc(OCCN(C)C)cc2)c2cccnc2)cc1 28709305 DMKHBWQONCVLOI-QHCPKHFHSA-N 362.473 4.211 0 1 FIAF Nc1ccc(C(=O)Nc2ccc(CCN3CCc4ccccc4C3)cc2)cc1 29061726 IOKHPPHEUBRUBT-UHFFFAOYSA-N 371.484 4.122 0 1 FIAF O=C(NCc1ccc(F)cc1)c1cnc(N2CCCCC2)c2ccccc12 34871881 XQJPGYSFUOWTSS-UHFFFAOYSA-N 363.436 4.294 0 1 FIAF COc1cc(Nc2cc(C)nc3ccc4[nH]cnc4c23)cc(OC)c1OC 39214873 CZVYVPWFAAZGNH-UHFFFAOYSA-N 364.405 4.189 0 1 FIAF CCN(CC)CC(=O)N1C[C@H](c2ccccc2)Oc2c(C)c(C)cc(C)c21 40899093 MUHGROROZPTGFA-HXUWFJFHSA-N 366.505 4.420 0 1 FIAF COc1cc(OC)cc(Oc2cc(NCc3cc(F)cc(F)c3)ncn2)c1 82068278 DXITVXCBOSKCJX-UHFFFAOYSA-N 373.359 4.176 0 1 FIAF O=C(Nc1cccc(Cl)c1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccco1 100979499 UHEDPGHBXSZPQV-IRXDYDNUSA-N 359.857 4.250 0 1 FIAF CN[C@H]1CC[C@H](N2CCc3cc(F)c(NC(=N)c4cccs4)cc32)CC1 101472647 ZVTIPOSGDMUXPC-GASCZTMLSA-N 372.513 4.218 0 1 FIAF Cc1cc([S@@](=N)(=O)NC(=O)Nc2ccc(Cl)cc2)cc(C)c1C 102025693 BTCCJSNEWMLWOE-QHCPKHFHSA-N 351.859 4.408 0 1 FIAF Cc1cc(C(C)(C)O)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169700030 AMHARFPWEABOCW-UHFFFAOYSA-N 361.445 4.181 0 1 FIAF O=C1NC[C@@H](Cc2ccccc2)c2[nH]c(-c3cccc4cccnc34)cc21 222364923 JBAKTVVTRACTOI-QGZVFWFLSA-N 353.425 4.300 0 1 FIAF Cc1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 224588178 HGICFYAFAKQIDR-UHFFFAOYSA-N 351.385 4.023 0 1 FIAF CC(C)CNc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1O2 473090830 PRMYZEJXVSYKHB-JOCHJYFZSA-N 361.445 4.325 0 1 FIAF CC[C@]1(C)C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 586887228 FPFAWEQIMNUALH-SREIQFSDSA-N 361.614 4.120 0 1 FIAF CCO[C@H](C)c1nc(C)c(-c2nc3cncc(Br)c3[nH]2)s1 587013972 FCCLRPUSWZRKHN-MRVPVSSYSA-N 367.272 4.250 0 1 FIAF Cc1c(-c2nc3cc(F)cc(F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073368 HCOFYLRBYSRNNJ-UHFFFAOYSA-N 359.767 4.110 0 1 FIAF COc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1OC 587091021 FELBZEXAKMEONJ-UHFFFAOYSA-N 369.368 4.297 0 1 FIAF CCOC(=O)[C@@H]1[C@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@@H]21 587098462 SGQMBPUGGIZOPC-RYGJVYDSSA-N 369.420 4.203 0 1 FIAF CC[C@H](Oc1ccccc1F)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587156537 UZEBCMFIKWKJIF-IBGZPJMESA-N 369.440 4.064 0 1 FIAF COc1cccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c12 587198900 VJYFEBUXGFYQBT-UHFFFAOYSA-N 372.428 4.097 0 1 FIAF COc1ccc(N2C[C@@H](C(=O)c3coc4ccc(Cl)cc34)CC2=O)cc1 587279158 XLTAZCFQFHSJFK-LBPRGKRZSA-N 369.804 4.331 0 1 FIAF COc1ccc([C@@]2(C(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443778 RSFUJIWESGDLAX-VGOFRKELSA-N 352.430 4.393 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3n1CC)CC2=O 587474788 IMYRMFCLOGTJAJ-LJQANCHMSA-N 350.418 4.421 0 1 FIAF CCCc1c(O)ccc2c1O[C@](c1ccco1)([C@H](O)c1ccco1)CC2=O 587476586 CWHGPNOCEBRXLF-NHCUHLMSSA-N 368.385 4.125 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCC)CC2=O 587483230 VZKJSSHNLVHZJC-LJQANCHMSA-N 356.418 4.459 0 1 FIAF O=C1C[C@@](c2ccccc2)(C2CCNCC2)Oc2c1ccc1c2CCCC1 587524632 KZCYUTIYSADFSF-XMMPIXPASA-N 361.485 4.426 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2nccnc2c1 587586593 KUSVAGCZKZBBLW-KNQAVFIVSA-N 370.364 4.038 0 1 FIAF Cc1cc(C)cc(C(=O)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604434 WRLMDHAHQFQQAI-XXBNENTESA-N 374.392 4.222 0 1 FIAF CCn1ncc(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587699525 SOSCIFAVBOBJGP-XLKFXECMSA-N 372.669 4.082 0 1 FIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587764791 BKYFWAGEXPVFAN-ADLMAVQZSA-N 363.274 4.398 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc[nH]c2C(C)(C)C)N1 587789135 CDGNDFHHCVADIC-XPTSAGLGSA-N 366.278 4.232 0 1 FIAF CC(=O)C[C@@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815381 MBDLOKPFIBGBQR-BTDLBPIBSA-N 354.263 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3ccccc32)N1 587841065 LWMUASGRJNEVPJ-ADLMAVQZSA-N 360.226 4.272 0 1 FIAF COc1ccsc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587848141 ZYVBEWURCQIPIR-FVMDXXJSSA-N 370.287 4.456 0 1 FIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccn1C 587859169 CCPZTHQLXMIWAZ-UHFFFAOYSA-N 364.232 4.283 0 1 FIAF Cc1ccc(C(C)C)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587946479 VGWBWVZBVSUFAQ-UHFFFAOYSA-N 370.453 4.379 0 1 FIAF CC(=O)C[C@H]1CCCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961618182 XTEBMTIJPVPTMJ-BEFAXECRSA-N 362.311 4.492 0 1 FIAF Cc1cc2c(cc1F)[C@@H](C1CC3(CCN(C(=O)OC(C)(C)C)C3)C1)NCC2 962088810 GSURTWOGGAXCPK-COFLGROHSA-N 374.500 4.358 0 1 FIAF C[C@@H](OCc1ccccc1)[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 1772642143 UZHILJDZNOKUEH-VGSWGCGISA-N 370.452 4.450 0 1 FIAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)[C@@H](O)C[C@]12C 2356624400 WUDCXBJIWCDVSH-AIYVTKCESA-N 364.526 4.016 0 1 FIAF CC(=O)O[C@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@@H]12 2356730680 ZZLUZIDJVCYWKL-JFXKAPLKSA-N 374.521 4.345 0 1 FIAF Cc1cc(Oc2ccccc2)ncc1-n1cc(-c2ccc(C(=O)O)cc2)nn1 2382245831 UGYQXJMVCIOPNG-UHFFFAOYSA-N 372.384 4.128 0 1 FIAF COc1cccc(-c2nnc3ccc(-c4cccc(OC(C)C)c4)cn23)n1 2382247314 YYKNPQRSCYNVND-UHFFFAOYSA-N 360.417 4.254 0 1 FIAF COc1ccc(-n2ncc3c(Nc4ccccc4SC)ncnc32)cc1 756726 WLKBRSBVFHJCOC-UHFFFAOYSA-N 363.446 4.290 0 1 FIAF O=C(Oc1ccccc1)N1CCC2(CCN(Cc3nccs3)CC2)CC1 4237935 WVBYJIUDJYQGMN-UHFFFAOYSA-N 371.506 4.020 0 1 FIAF CCCCN(CCCC)CCn1cnc2c3cc(OC)ccc3nc-2c1O 8586406 LUMOELWJENXCCH-UHFFFAOYSA-N 370.497 4.153 0 1 FIAF aggregator c1ccc(CN2CCN(c3nc4ccccc4c4c3CCCC4)CC2)cc1 13778674 GLPQNNHUGGPKLX-UHFFFAOYSA-N 357.501 4.436 0 1 FIAF COc1cc(OCC=C(C)C)cc2c1[C@H]1Oc3cc(O)ccc3[C@@H]1CO2 14820434 BFYZUNBXRVPQIE-KKSFZXQISA-N 354.402 4.356 0 1 FIAF biogenic CCN(CC)CCOc1cccc(Nc2nccc(-c3ccco3)n2)c1 26659188 RZSJKMWFTHNXBX-UHFFFAOYSA-N 352.438 4.201 0 1 FIAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC)CN(C)[C@@H]1C2 29488809 BOMVRTMBCWESTQ-MOXGXCLJSA-N 354.494 4.135 0 1 FIAF Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1 38543500 ISVHLTLEHRZKJC-UHFFFAOYSA-N 359.389 4.424 0 1 FIAF FC(F)(F)Oc1ccccc1O[C@@H](c1cccnc1)C1CCNCC1 43076913 PUMRLCALOZDUIE-QGZVFWFLSA-N 352.356 4.100 0 1 FIAF COc1cccc(-n2nc(CN(C)C)nc2-c2cccc(C(C)(C)C)c2)c1 45388742 CFDMEKQECKVSMF-UHFFFAOYSA-N 364.493 4.302 0 1 FIAF COc1c(-c2ccncc2)ccc2[nH]c([C@@H]3COc4ccccc4C3)nc12 49048021 DKBAPYGVRCEGCL-INIZCTEOSA-N 357.413 4.352 0 1 FIAF CCOC(=O)c1cc(Cc2cccc(Cl)c2)c(=O)[nH]c1-c1ccccc1 84671642 GXVXBIWVSSJZFE-UHFFFAOYSA-N 367.832 4.463 0 1 FIAF CC(=O)O[C@@H]1C/C(C)=C/[C@H](O)C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]12 103129299 VUXOPRKKIFEKKX-GLOZEMBJSA-N 364.526 4.015 0 1 FIAF COC(=O)[C@H](N=O)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586996455 NRHNYYLSWRWCBV-LJQANCHMSA-N 360.369 4.044 0 1 FIAF Nc1ccc(-c2ccc3nc(-c4csc5c4CCOC5)[nH]c3c2)cc1N 587031416 GKPHWXCPOYRTHG-UHFFFAOYSA-N 362.458 4.196 0 1 FIAF FC(F)(F)[C@](F)(Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 587089421 CUJXCOJMLJVORG-ZETCQYMHSA-N 366.927 4.297 0 1 FIAF Oc1c(Br)ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 587148071 FOFGFCVGKAFCMR-QHHAFSJGSA-N 351.150 4.480 0 1 FIAF COc1cc(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587377553 NMAHVBXUCUYNFP-MRXNPFEDSA-N 362.223 4.055 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(SC(C)C)nc3sccn13)O2 587415812 YFLJGOHNERVWAQ-CQSZACIVSA-N 373.503 4.493 0 1 FIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](O)c1ccccc1)[C@@H](C2)C3=O 587453301 YFJUUNDPXGQWSJ-IEXUWNMDSA-N 372.420 4.072 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(O)cc2F)N1 587720168 MTTKBFGUPSQMTO-VGDKGRGNSA-N 372.184 4.196 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc3cnccc23)N1 587780251 ZOCUUGHKDBUVHC-XTZNXHDOSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2NCC3)N1 587789186 AJQUWHYUORTVIQ-MLCYQJTMSA-N 361.258 4.180 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3ccccc32)N1 587790343 CGBJKPAYBZXFIC-BBATYDOGSA-N 361.258 4.182 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccnc3[nH]2)N1 587801611 HJJUNQGWUDFDQR-ABKXIKBNSA-N 360.230 4.088 0 1 FIAF COc1ccc2c(c1OC)[C@@](CCC(C)=O)(C1CCCC1)N(C)[C@@H](C)C2 962618799 DVXRIUNCIWSKPP-OYHNWAKOSA-N 359.510 4.335 0 1 FIAF CC[C@@]1(c2ccc(C(F)(F)F)c(F)c2)NCCc2nc3ccccn3c21 962986771 KEOCJTAMHJKXAM-SFHVURJKSA-N 363.358 4.292 0 1 FIAF Oc1ccc2c(c1)[C@@](c1cccc(C(F)(F)F)c1)(C(F)(F)F)NCC2 963353538 SDKWFGWBJCZPCI-HNNXBMFYSA-N 361.285 4.363 0 1 FIAF Cc1c(-c2ccc(N3CC[C@@H](F)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772574888 CZWVABFIIPQPJW-CYBMUJFWSA-N 358.363 4.330 0 1 FIAF COc1cccc(OC)c1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772606953 KPAYSTKBZUTPAB-OAHLLOKOSA-N 371.364 4.105 0 1 FIAF C[C@H]1CCC[C@@H](C)N1C(=O)NCCc1nc(-c2cccc(F)c2)cs1 1772658088 QWSFMVNDKSDINA-OKILXGFUSA-N 361.486 4.464 0 1 FIAF Cc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2ccccc12 1857563508 HYPIBTXFAAZWLU-UHFFFAOYSA-N 368.440 4.377 0 1 FIAF O=C(NCc1ccccc1)N1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 1326462 YPNIPLNOBNGKRU-UHFFFAOYSA-N 368.868 4.306 0 3 FIAF CN(C)C[C@H]1C[C@@H]2c3cc(C(F)(F)F)ccc3Cc3ccccc3N2O1 13437250 WPLHYZJLPBROHU-VQIMIIECSA-N 362.395 4.423 0 1 FIAF CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1 13814325 LPYYOHCTDGHYSI-UHFFFAOYSA-N 366.480 4.493 0 1 FIAF Cc1ccccc1N1CCN(Cc2ccccc2[C@@H](O)c2ccccc2)CC1 27422911 VAYSMURKORGEQD-VWLOTQADSA-N 372.512 4.399 0 1 FIAF CNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(CC1CCC1)CC3 28709215 NHTWPKUCTUYFEM-NWSQWKLXSA-N 368.521 4.263 0 1 FIAF C[C@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36153209 GQECVTUOELTXTC-OOIVXWLNSA-N 359.510 4.312 0 1 FIAF CCCCc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)nc1 38157802 SEGKEJFCRFIMJL-UHFFFAOYSA-N 365.433 4.467 0 1 FIAF FC(F)(F)c1ccc(SC[C@@H](c2c[nH]cn2)C2CCNCC2)cc1 64564985 HGLGWLWXYRAXPK-OAHLLOKOSA-N 355.429 4.304 0 1 FIAF Cc1cccc(-c2ccc(S(=O)(=O)N(C)c3cccc(O)c3)cc2)c1 96935500 BIAIGWIQNONMAW-UHFFFAOYSA-N 353.443 4.193 0 1 FIAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cc(Cl)cc(Cl)c1)CN32 100912929 ILHUURNQKXQSLQ-BNGOXTQESA-N 352.261 4.033 0 1 FIAF C=C(c1ccccc1)c1ccc([C@H]2C[C@H]3CC[C@H]([C@@H]2C(=O)OC)N3C)cc1 100921397 HVLZZLCPCRNKEL-SSGKUCQKSA-N 361.485 4.487 0 1 FIAF C[C@H]1C[C@H](C)CN(CCCn2cnc3c4cc(Cl)ccc4nc-3c2O)C1 103591589 CMGYAAWRUYVIBT-KBPBESRZSA-N 372.900 4.263 0 1 FIAF c1cc2[nH]nc(-c3cnn(CC4CCC4)c3)c2c(OC2CCCCC2)n1 114759007 RLTFAWDTSASPLO-UHFFFAOYSA-N 351.454 4.333 0 1 FIAF O[C@H]1CCCC[C@@H]1NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 204410230 NTYZXTNKVFVCDZ-ROUUACIJSA-N 350.384 4.161 0 1 FIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 586882322 NPPLZUXLQLITGO-UHFFFAOYSA-N 362.216 4.193 0 1 FIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586882593 ZFBLWNPDTKAONJ-UHFFFAOYSA-N 364.298 4.048 0 1 FIAF CC(C)(SCc1nc2ccc(OCc3ccccc3)cc2[nH]1)C(=O)O 586958518 FPRFSQANTDCDMS-UHFFFAOYSA-N 356.447 4.238 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586964342 YIFFOSXJPZKUPL-QMMMGPOBSA-N 370.265 4.312 0 1 FIAF O=C1CCC2=C(CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)N1 587107629 SGIIYNGDOIALES-UHFFFAOYSA-N 352.393 4.014 0 1 FIAF Fc1c(F)c(F)c(/C=C/c2nc3cc4cn[nH]c4cc3[nH]2)c(F)c1F 587135141 UASRRNDRAGWTDR-OWOJBTEDSA-N 350.250 4.305 0 1 FIAF CCCOc1cc2nc(-c3cncc(F)c3)[nH]c2cc1Br 587176698 CSXABXIYFNEMPZ-UHFFFAOYSA-N 350.191 4.315 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1F)[C@@H](C2)C3=O 587424465 OMRMKJBAWWCCFT-SJCJKPOMSA-N 363.182 4.086 0 1 FIAF O=C1C[C@@H](c2ccc(Br)cn2)Oc2c1ccc1c2CCCC1 587495921 GWQWNDHYHDXRJG-KRWDZBQOSA-N 358.235 4.429 0 1 FIAF CCOC(=O)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500792 CWNJRHGCKOKDTD-QFIPXVFZSA-N 368.404 4.128 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(O)c2)N1 587716036 IPMKCOJQAPQROY-BCTVWOGZSA-N 354.194 4.057 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2F)N1 587720695 TZEGXENAXDEKFF-ZKANADHPSA-N 356.185 4.490 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)c3ccccc32)N1 587766863 HODVRMSURWLGKK-BUXKBTBVSA-N 373.269 4.330 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncccc3o2)N1 587778365 MNRDEOCZWSNVHW-XLFHBGCDSA-N 361.214 4.353 0 1 FIAF CC(C)[C@@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587779104 QFOXJKYSPSTROU-XIKOKIGWSA-N 363.274 4.417 0 1 FIAF COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587783458 RVICDDUTJAVQJV-UHFFFAOYSA-N 352.287 4.103 0 1 FIAF CC(C)(C)Oc1ccc(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587937030 GCJURXFWJXZPOY-UHFFFAOYSA-N 352.390 4.120 0 1 FIAF COc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)CC2 587937749 MTUMXELTHXXKLB-LLVKDONJSA-N 358.344 4.166 0 1 FIAF O=C1c2cc(-c3cn[nH]c3)ccc2-c2[nH]c3cc(-c4cn[nH]c4)ccc3c21 653893421 DQWWQMCCBCPCMU-UHFFFAOYSA-N 351.369 4.160 0 1 FIAF CC(C)C(=O)C[C@@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962641031 MXYXYWKZHAVTNL-URXFXBBRSA-N 362.517 4.264 0 1 FIAF CC[C@@H](C)c1ccc([C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962933218 SQRQLGKXQVEABX-WAIKUNEKSA-N 350.506 4.311 0 1 FIAF COc1cc(C)c(Nc2cc(-c3ccc(N(C)C)cc3)ncn2)cc1OC 1857601455 YVUWJBZRACQATA-UHFFFAOYSA-N 364.449 4.279 0 1 FIAF Cc1oc2c(c1C)[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](CC[C@@](C)(O)[C@@H]1C)C2=O 2356556660 JSUOPHWQXCMPKR-YANPDXNISA-N 362.466 4.136 0 1 FIAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]3(CCC[C@@H]3CNC3CCCC3)[C@@H]1[C@@H](O)C2 2356772934 MNVCSJUUUAOHID-UDDQRKKUSA-N 361.570 4.017 0 1 FIAF CC1=C2C=C3CCCN4CCCC(=C2OC(O)=C1CNC1CCCCC1)[C@@H]34 2356827227 HOLJEVHIJSVACA-OAQYLSRUSA-N 368.521 4.477 0 1 FIAF COC(=O)c1cccc(C)c1[C@H]1CN=N[C@]12Cc1c(ccc(C)c1C)C2=O 5539653 GXSBZKKCZNVIIN-XMSQKQJNSA-N 362.429 4.126 0 1 FIAF CN(C(=O)Cc1ccc2sccc2c1)[C@@H]1CCCC[C@H]1N1CCCC1 29392539 ICNOWNMNRPXVFW-RTBURBONSA-N 356.535 4.309 0 1 FIAF COc1ccc2c(c1C)C[C@@](CCN(C)C)(c1ccc(Cl)cc1)OC2=O 53230200 YTBKEGNNCMYUJJ-NRFANRHFSA-N 373.880 4.217 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 101205765 IWSCITFBDCQRGG-YEOUXTFASA-N 350.499 4.479 0 1 FIAF CCCNC(=O)[C@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169720748 UOGTZDGSELFLDY-JKSUJKDBSA-N 365.264 4.028 0 1 FIAF COC1CCC(C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 201106732 BMKCMPYMLCCZIQ-QFHNSRLUSA-N 371.521 4.038 0 1 FIAF CC(=O)c1ccc(OCc2ccccn2)c(-c2ccc3c(c2)CCNC3)c1 205448200 UHMIDCKSJQAVRH-UHFFFAOYSA-N 358.441 4.176 0 1 FIAF COC(=O)C[C@]1(C)CC[C@@]2(O1)C(CO)=CC[C@H]1C(C)(C)CCC[C@@]12C 238733319 ZGAUBBFDXXEMAC-LRGNLBRXSA-N 350.499 4.012 0 1 FIAF Cc1cc(N)c(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586986875 GKKHFVTWNAWOAM-UHFFFAOYSA-N 368.392 4.415 0 1 FIAF Nc1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1N 587067476 CCFHJTIWWXPSLR-UHFFFAOYSA-N 364.836 4.207 0 1 FIAF Cc1cc(Br)c2[nH]c(C(C[C@@H]3CCCN3)=C(F)F)nc2c1 587087130 BEGGKCHSTOFFHU-VIFPVBQESA-N 356.214 4.384 0 1 FIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccccc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587240469 UDNKUJOXOGTYPB-PCMMCCAGSA-N 371.481 4.118 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1OC(F)(F)F)O2 587382277 LESHLPLFXOJVAU-KRWDZBQOSA-N 351.324 4.356 0 1 FIAF CCOC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl 587419577 FFRVTCAWEADELK-AUUYWEPGSA-N 372.804 4.014 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3)n(C)n1)CC2=O 587475043 KNJCMERFRXQWGQ-OAQYLSRUSA-N 362.429 4.452 0 1 FIAF CCCc1c(O)ccc2c1OC1(CCN(c3nc(C)cs3)CC1)CC2=O 587493440 HKZTYSMPCLPYSK-UHFFFAOYSA-N 372.490 4.114 0 1 FIAF O=C1C[C@](c2cccnc2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 587514748 JRPVBPLHLDHITG-HSZRJFAPSA-N 363.457 4.248 0 1 FIAF CC[C@@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586131 HKFBGSRERJJVGC-XMSQKQJNSA-N 361.397 4.363 0 1 FIAF CCn1c(C)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587755797 QPKZPCJARHKREV-QGHHPUGFSA-N 351.263 4.342 0 1 FIAF COc1cccc(C)c1-c1nc2cccc(I)c2[nH]1 587785442 ATDDIXOCPWPUCK-UHFFFAOYSA-N 364.186 4.152 0 1 FIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 587787351 UWNDMLZGSYNLGB-UONOGXRCSA-N 371.234 4.269 0 1 FIAF O=C(c1cc(Br)cs1)n1nc2cc1Oc1ccc(F)cc1-2 587875205 BNIYLGCLBJPMRE-UHFFFAOYSA-N 365.183 4.307 0 1 FIAF NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1Cl 653725363 IOPYRKZQOGSZBC-INIZCTEOSA-N 360.244 4.223 0 1 FIAF C[C@@]1(c2cn(Cc3ccccc3)nn2)NCCc2c(Cl)cc(Cl)cc21 963106069 JMRGLHQBTJRKLJ-LJQANCHMSA-N 373.287 4.042 0 1 FIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(OCc2ncon2)cc1 963236160 XOAUGDLGBAJWRS-AOMKIAJQSA-N 363.461 4.395 0 1 FIAF Cc1nc(-c2cccc3ccccc23)sc1C(=O)N1CCC[C@H](O)CC1 1772657382 OBUFCLXOXFTCTJ-INIZCTEOSA-N 366.486 4.259 0 1 FIAF CC(=O)O[C@@H]1CC(C)=C[C@H](O)C[C@@H](C)C=C[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 1857742309 VUXOPRKKIFEKKX-DJDKLUKCSA-N 364.526 4.015 0 1 FIAF C[C@@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N[C@H](C)c1ccccc1 2356303227 OACXJEILMCXGGL-CHWSQXEVSA-N 354.381 4.025 0 1 FIAF CCOc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCC2)c1 683198 NCGHKOPCIZUZFJ-UHFFFAOYSA-N 352.434 4.466 0 3 FIAF CCOC(=O)c1oc2ccc(CC(=O)c3c(C)cc(O)cc3O)cc2c1C 1508646 YJBHUOSIHCILHB-UHFFFAOYSA-N 368.385 4.063 0 1 FIAF biogenic C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc2c(c1)ncn2C1CCCC1 2933270 ZKBWYYXXBZNTDS-IRXDYDNUSA-N 368.525 4.144 0 1 FIAF CCCCC[C@@H](O)CCCCC[C@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460207 CPLIAEGRLLEYCZ-WBVHZDCISA-N 350.455 4.071 0 1 FIAF biogenic COc1ccc2c(c1)C[C@@H](CCN1CCN(c3ccccc3)CC1)CC2 13760546 VHTJFANFSJSTEZ-LJQANCHMSA-N 350.506 4.012 0 1 FIAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)CC[C@@H](CC2CCCCC2)O3)S1 26971759 JHNHQBQYCNSPNN-WMZOPIPTSA-N 359.491 4.245 0 1 FIAF c1ccc(CC2CCN(CCSc3nc4ncccc4[nH]3)CC2)cc1 27564218 MFEPIPQYBXEVQH-UHFFFAOYSA-N 352.507 4.005 0 1 FIAF CC(C)[C@H](C)CC(=O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 27879512 OWLLXGOHMSBAOZ-NHSHWBJMSA-N 368.514 4.226 0 1 FIAF Cc1[nH]c(C)c(-c2ccc(Br)cc2)c(=O)c1Br 45188316 BTIZLHSKKINEDD-UHFFFAOYSA-N 357.045 4.184 0 1 FIAF CSCC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49055352 FXTTTZOHXWRXTQ-INIZCTEOSA-N 374.289 4.471 0 1 FIAF CC[C@]1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2c(F)ccc(F)c21 49111673 GLIMMVXYYUCCNV-KRWDZBQOSA-N 372.820 4.480 0 1 FIAF CC/C=C\C/C=C\C[C@H](O)/C=C/C=C/C=C/[C@@H](O)C/C=C\CCC(=O)O 59724791 HLHYXXBCQOUTGK-KGYDJRPRSA-N 360.494 4.491 0 1 FIAF CCc1ccc(NC(=O)N2CCCN(C(=O)CCC3CCCC3)CC2)cc1 71329971 MYZBNWFXPSTUQK-UHFFFAOYSA-N 371.525 4.286 0 1 FIAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 82141879 GZYIUJVKAYRQAL-NVXWUHKLSA-N 368.481 4.035 0 1 FIAF O=C(N1CC[C@H](c2c[nH]c3ncccc23)C1)C1(c2ccc(Cl)cc2)CC1 84713992 SOIBPYGBIPSWPT-AWEZNQCLSA-N 365.864 4.264 0 1 FIAF COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(C)=O)cc1 98208888 ZPXWZHXHEMSPJU-UHFFFAOYSA-N 374.780 4.040 0 1 FIAF in-vitro CC1(C)Cc2ccccc2C(CSc2n[nH]c3c4ccccc4nc-3n2)=N1 104051563 XNVVXLZXQBRFIP-UHFFFAOYSA-N 373.485 4.374 0 1 FIAF CC(C)(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167474249 GQRPEDRWVAQPHE-UHFFFAOYSA-N 365.477 4.400 0 1 FIAF C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 169372539 CEQYMIBPHSHBNB-GFGGXSIUSA-N 356.462 4.076 0 1 FIAF O=C1NCCc2[nH]c(-c3cccc4ccc(Cc5ccccc5)nc34)cc21 222350904 XKBJDTIYSQFHST-UHFFFAOYSA-N 353.425 4.107 0 1 FIAF CC(C)[C@](C)(O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586890481 QAIGWLRQFNUKSA-LBPRGKRZSA-N 367.165 4.088 0 1 FIAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 586921559 CPRMJZUBIYDDGV-UHFFFAOYSA-N 369.273 4.254 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc12 587037485 VUZMEVQFRNGIJW-NSHDSACASA-N 370.272 4.300 0 1 FIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Cl)cc(F)c2[nH]1 587064784 FYLWZKZXSBLXEA-UHFFFAOYSA-N 369.179 4.409 0 1 FIAF COc1ccc(Cc2nc3ccc(F)c(Br)c3[nH]2)c(F)c1 587148613 KXRBORYPQIKTBS-UHFFFAOYSA-N 353.166 4.203 0 1 FIAF COc1cccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 587173651 ZOSRPKCFPJXFBD-UHFFFAOYSA-N 367.355 4.167 0 1 FIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(Br)c(O)c2[nH]1 587196988 FYJLOFATZONIJP-JTQLQIEISA-N 360.255 4.249 0 1 FIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)C1CCCC1 587225423 KPPUNHSYWMPRHM-MRXNPFEDSA-N 359.426 4.048 0 1 FIAF CCN(CC)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337310 NVHBZSPSAIFGFD-IRLDBZIGSA-N 371.452 4.381 0 1 FIAF CC1(C)C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587358545 WORDCHAMFSCURO-WIYYLYMNSA-N 356.393 4.218 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4nccs4)c1C)[C@@H](C2)C3=O 587450131 DXEQLAFTQRHUEC-HNAYVOBHSA-N 366.442 4.048 0 1 FIAF CCCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)s1 587495867 VCLMXYGLVZGQCT-HXUWFJFHSA-N 374.506 4.234 0 1 FIAF COc1cc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587522194 FHRTWTWKEOYFOJ-JOCHJYFZSA-N 352.430 4.246 0 1 FIAF CC(=O)OC[C@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525303 VAYCHLOXJGYIPN-QHCPKHFHSA-N 364.441 4.298 0 1 FIAF C[C@@H](Oc1ccccc1O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526709 ZGGXGTDSVWDBBJ-JLCFBVMHSA-N 352.430 4.462 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2N)N1 587702561 ZZMXQKPZOZIGBG-PWJLMRLQSA-N 369.665 4.447 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(F)c(F)c2)N1 587715108 HCMLCSPSAWGIOW-GYKQLYQFSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(F)c32)N1 587738220 LOKHVYUBNLIIGI-MGNBDDOMSA-N 364.233 4.451 0 1 FIAF CCCn1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587753810 JRRJASLYEGLCGM-DIFFPNOSSA-N 351.263 4.423 0 1 FIAF Cc1cccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc12 587771728 CMUQASKPQAYGKW-APPDUMDISA-N 374.257 4.168 0 1 FIAF Nc1nc2cc3c(cc2s1)C[C@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1 653692821 OQGLRMIBYLADSW-UQASEVPWSA-N 353.535 4.347 0 1 FIAF CCc1cc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)no1 962643253 PYTJJWMTDBVLNC-AUSIDOKSSA-N 359.473 4.073 0 1 FIAF CCCCC[C@H]1OC(=O)c2cc(-n3nc(C(F)(F)F)cc3O)ccc21 1772574149 KRPLQPDDQMRBNR-CYBMUJFWSA-N 354.328 4.389 0 1 FIAF O=C(Cn1c(-c2ccccc2)cc2cccc(F)c21)NCc1ccccn1 1772623954 IETYBEPYBOFTIR-UHFFFAOYSA-N 359.404 4.159 0 1 FIAF O=C1Nc2ccc(Nc3ccccc3Cl)cc2[C@@]1(O)Cc1ccccc1 1857550866 BDHQDSMXDCVXBK-NRFANRHFSA-N 364.832 4.466 0 1 FIAF COCCOCCOCCOC(=O)Oc1c(C(C)C)cccc1C(C)C 1857649696 WLUNFHQPBXREAQ-UHFFFAOYSA-N 368.470 4.128 0 1 FIAF C[C@@H](Nc1ccc2c(c1)NCCC2)C(=O)Nc1ccc(Br)cc1 1911577929 KCOBLEINXCYVGR-GFCCVEGCSA-N 374.282 4.246 0 1 FIAF COc1ccc(C[C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc1OC 2356549867 HZLWUWRGPZGQLG-DHJMFYJESA-N 370.445 4.387 0 1 FIAF CC[C@H](CO)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 49089024 URNYJHIIZORIJW-QGZVFWFLSA-N 353.466 4.379 0 3 FIAF O=C(O)c1ccccc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O 833254 PCIPREXMIVFQLQ-HTAPYJJXSA-N 360.409 4.337 0 1 FIAF CCCCC[C@@H](O)CCCCC[C@@H]1Cc2cc(OC)cc(O)c2C(=O)O1 13460211 LYFHIUXSMZPGHC-IAGOWNOFSA-N 364.482 4.374 0 1 FIAF biogenic CCc1cc(OC)c(C(=O)Nc2cccc3c2CCN(C)C3)cc1Cl 26731544 ZTZRMSKDAFXVMN-UHFFFAOYSA-N 358.869 4.151 0 1 FIAF O=C(O)COc1c(Cl)cc2c(-c3ccccc3F)noc2c1Cl 27440048 APSAXXKWWAOYOE-UHFFFAOYSA-N 356.136 4.404 0 1 FIAF c1ccc2sc(COc3ccc(OCCCc4nnn[nH]4)cc3)cc2c1 28219846 GZULTLXPYRHAKR-UHFFFAOYSA-N 366.446 4.005 0 1 FIAF OC1=NCN(C2CCC2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 28563840 SYGCNNXMTSJKQR-SFTDATJTSA-N 367.537 4.330 0 1 FIAF CC[C@H]1[C@H](C)C(=O)C[C@@]23CCN(CC4CC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 29219150 OQUJWCCEFSDNKI-JVCFPVPWSA-N 367.533 4.225 0 1 FIAF O=C(O)CC1=C(c2ccc(Cl)cc2)N=C(S)N[C@H]1c1cccs1 29409302 VQGGJGAGPNVQOG-OAHLLOKOSA-N 364.879 4.218 0 1 FIAF Cc1ccccc1N1C[C@@H](c2nc(-c3cccc(Cl)c3)no2)CC1=O 38911860 DTAYUTKRKXGTFH-AWEZNQCLSA-N 353.809 4.219 0 1 FIAF CCCCCCNC(=S)Nc1ccc(-c2n[nH]c(=S)n2CC)cc1 40430380 GWZLRXGAIHYVLW-UHFFFAOYSA-N 363.556 4.494 0 1 FIAF C[S@](=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1 49112935 POXFREUZWCETIK-VOIUYBSRSA-N 362.520 4.183 0 1 FIAF COc1cc2c(cc1OC)C(=O)N1C=C(/C=C/c3ccccc3)C[C@H]1C=N2 49808484 BQRMFPADDAYICD-IJDCCNJMSA-N 360.413 4.232 0 1 FIAF Cc1cc(C(=S)Oc2cccc(Br)c2)nn1C(C)(C)C 95771678 WAZDKHOQTCRKCJ-UHFFFAOYSA-N 353.285 4.464 0 1 FIAF Cc1ccoc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 101151890 BGECMWFZHVFBGB-BWTSREIZSA-N 354.450 4.356 0 1 FIAF Fc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)c(F)c1 101964624 RCWJZRSEGPKRNS-HNNXBMFYSA-N 362.742 4.405 0 1 FIAF CC1=Nc2ncnn2[C@@H](c2ccc(C)cc2)/C1=C(\O)OC1CCCCC1 103531137 CPGNRTBYQKVGCN-GHNGSUTGSA-N 352.438 4.401 0 1 FIAF COc1cc(-c2csc(NC(=O)c3ccccc3)n2)cc(OC)c1OC 207434544 LSGVANNYAIQFRT-UHFFFAOYSA-N 370.430 4.088 0 1 FIAF Cc1cc2c(c(O)c1Br)C(=O)[C@H](O)[C@]1(C)CC[C@H](C(C)C)[C@H]21 211330071 MONXESXAQNTQLQ-MDHSIQGOSA-N 367.283 4.176 0 1 FIAF COc1cc([C@@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H](C)[C@H]2C)ccc1O 238744774 KBIHHHDCLJQNHG-MHIIDSGVSA-N 374.433 4.208 0 1 FIAF COC(=O)c1ccc(Oc2ccc3nc(-c4cccc(CO)c4)[nH]c3c2)cc1 586895131 QBZJARGEQAGPNJ-UHFFFAOYSA-N 374.396 4.301 0 1 FIAF C[C@H](Sc1ncccn1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586961707 LEGAYMQQOCTWBD-ZDUSSCGKSA-N 360.442 4.437 0 1 FIAF CCS(=O)(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2c1 587034193 QUPAVOSNJNYPLT-LLVKDONJSA-N 360.504 4.210 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc12 587037482 VUZMEVQFRNGIJW-LLVKDONJSA-N 370.272 4.300 0 1 FIAF CCOc1ccccc1[C@@](N)(c1nc2cc(C)cc(F)c2[nH]1)C(F)(F)F 587092926 OVCZCSVGCBDURL-QGZVFWFLSA-N 367.346 4.174 0 1 FIAF Cc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 587118535 OPLBZFXOBRGUMK-UHFFFAOYSA-N 373.176 4.092 0 1 FIAF COc1cncc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587159439 PWAFEGLYXNXXRK-UHFFFAOYSA-N 359.364 4.112 0 1 FIAF COc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1F 587223523 CHSXZJHLPMKXGQ-MRXNPFEDSA-N 363.433 4.467 0 1 FIAF CC(=O)NC1(c2nc3cc(F)cc(Br)c3[nH]2)CCC(C)CC1 587234311 JFVYUKXRBFMCNS-UHFFFAOYSA-N 368.250 4.006 0 1 FIAF Cc1cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2cc1Br 587244321 NWKFJBSUNCTYLZ-BQYQJAHWSA-N 356.223 4.286 0 1 FIAF Nc1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1CC(=O)O 587249386 KNYDTAFMTUOGLB-UHFFFAOYSA-N 367.352 4.051 0 1 FIAF O=C1c2ccc(O)cc2OC2(CC3(CCOCC3)C2)[C@H]1c1ccc(F)cc1 587355538 DTDQKTMVZGQVBH-IBGZPJMESA-N 368.404 4.220 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1C(F)(F)F)CC2=O 587464663 VNURSRBFUSAQOX-OAHLLOKOSA-N 351.324 4.465 0 1 FIAF O=C1C[C@](c2ccccc2)([C@H]2CCCNC2)Oc2c1ccc1c2CCCC1 587526434 RHMVQJNWJGKNNS-CYFREDJKSA-N 361.485 4.426 0 1 FIAF O=NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570154 ICTHJOVJMSZOPM-RXVVDRJESA-N 361.353 4.016 0 1 FIAF CC(C)(C)c1[nH]cnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586721 DDMRESRYMYGIIM-BEFAXECRSA-N 364.401 4.116 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(O)c(F)c2)N1 587718343 ISDREJNFWVFXOO-KWKYVRJSSA-N 372.184 4.196 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nn(C)cc3c2)N1 587760919 QVKGGZONVNZSAY-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O 587824349 ZVLVYJKUTMMRMI-VOJFVSQTSA-N 364.258 4.400 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCSCC2)N1 587858583 RTHQDPOSHBWESN-MGPLVRAMSA-N 358.320 4.481 0 1 FIAF COc1cc(O)cc(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)c1 587930631 FDCXUWOXZLNQEN-UHFFFAOYSA-N 352.781 4.006 0 1 FIAF COc1cccc(C2(c3nc4ccc(C(=O)N(C)C)cc4[nH]3)CCCC2)c1 587932957 IAHNRMCNTIJJRD-UHFFFAOYSA-N 363.461 4.133 0 1 FIAF COC(=O)c1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cn1 587956314 WNJLIJPALJNFAR-QGZVFWFLSA-N 357.413 4.119 0 1 FIAF NC[C@]1(C2CCC(F)(F)CC2)NCCc2cccc(-c3ccccc3)c21 962665156 JKJNNKLXHPXOEL-JOCHJYFZSA-N 356.460 4.479 0 1 FIAF COc1cccc2cc3c(nc12)[C@@]1(CCOc2ccc(C)c(C)c21)NCC3 963053004 FVHCDAMNJZZEOP-QHCPKHFHSA-N 360.457 4.032 0 1 FIAF O=C(O)c1csc2c1CCC[C@]21NCCc2c(Cl)cc(Cl)cc21 963105329 ILBLUXZZJFZBNN-QGZVFWFLSA-N 368.285 4.479 0 1 FIAF CC1(C)CN[C@@]2(CC(=O)C[C@@H](c3ccccc3)C2)c2cc3c(cc21)OCO3 963390868 NVAXFPXSTJXYIX-MWTRTKDXSA-N 363.457 4.028 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1[nH]c2ccc(F)cc2c1C 963634069 IXZQHKHQPXOQRP-FIKIJFGZSA-N 354.425 4.256 0 1 FIAF C[C@H](NC(=O)N1C(=O)C[C@H]1Sc1ccc(F)cc1F)c1ccccc1 1857555533 OKCBIQMGUWDPNS-APPDUMDISA-N 362.401 4.086 0 1 FIAF CCCCC[C@H](O)C=C[C@H]1[C@@H](CC=CCCCC(=O)O)[C@@H]2CO[C@@H]1C2 2356472887 LQANGKSBLPMBTJ-VYJAJWGXSA-N 350.499 4.336 0 1 FIAF COC(=O)C=C[C@H](C)[C@H](C=CC1=CCC(c2csc(C(C)C)n2)=N1)OC 2356696573 GGTIUQUCNXPFEF-KSSFIOAISA-N 374.506 4.280 0 1 FIAF Cc1ccc(-n2c(C(=O)NC3CC(F)C3)cc3cccnc32)cc1Cl 2382241639 YLFAGKNZINYZQJ-UHFFFAOYSA-N 357.816 4.218 0 1 FIAF COc1ccc(C2=NO[C@@](C)(c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 12726792 BAUPVQFMJLKSPI-LJQANCHMSA-N 369.808 4.438 0 3 FIAF COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1ccoc1 776219 SQOSCZBMOOQVEO-UHFFFAOYSA-N 354.406 4.171 0 1 FIAF COC(=O)c1ccc2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 13487094 VGIQEXKJOQJEEE-UHFFFAOYSA-N 351.189 4.141 0 1 FIAF O=C(O)[C@H]1CCCN(CCO[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 38795035 KGVCYMDWXRKNMB-AZUAARDMSA-N 373.880 4.243 0 1 FIAF CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@@]1(C)c1ccc(Cl)cc1 49054283 ZIJDTNBYHCZEEG-KRWDZBQOSA-N 363.870 4.333 0 1 FIAF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc(OC)c2c1=O 49055791 LOUMDIJOGKLOQH-UHFFFAOYSA-N 357.793 4.034 0 1 FIAF Cc1nn(C)c(C)c1N(CC(C)C)C(=O)c1ccc(Br)cc1 73276803 WTOAOGHTWWMWFK-UHFFFAOYSA-N 364.287 4.102 0 1 FIAF c1ccc(C2(c3ccccn3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)nc1 100729032 IFITXJMKEBCGCF-URXFXBBRSA-N 362.456 4.189 0 1 FIAF Cc1n[nH]c(C)c1CCSc1ccc(C(=O)Nc2ccc(F)cc2)cn1 145259765 UOPBDXXLYDCFTN-UHFFFAOYSA-N 370.453 4.148 0 1 FIAF CC(C)CCN(C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167189194 RWVOZKYOKCBAOA-UHFFFAOYSA-N 365.477 4.352 0 1 FIAF O=C(Nc1ccc(N2CCCCC2)cc1)n1sc2ccccc2c1=O 169311125 SDRJBEDGGGSHRS-UHFFFAOYSA-N 353.447 4.134 0 1 FIAF O=C1NCCc2[nH]c(-c3cccc4ccc(Nc5ccccc5F)nc34)cc21 222372206 DDALKELJNGHGGW-UHFFFAOYSA-N 372.403 4.399 0 1 FIAF Fc1cnc(Br)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586885542 VXUKTFONUGLFCF-KUEQOTSFSA-N 350.235 4.327 0 1 FIAF COc1cccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587030020 VUHGZEKVRIYBGW-UHFFFAOYSA-N 361.430 4.093 0 1 FIAF FC(F)(F)Oc1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587034114 DFIMDCNDRSZQOC-ZDUSSCGKSA-N 354.353 4.380 0 1 FIAF Cc1c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075155 CQEJGLLYCNJTRP-QGZVFWFLSA-N 366.812 4.101 0 1 FIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cnc(Br)cc3[nH]2)n1 587078782 BCQRHWKLVJDDFM-SSDOTTSWSA-N 354.639 4.208 0 1 FIAF Cc1ccnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 587081545 QBJZAGVNMFNJOX-UHFFFAOYSA-N 360.808 4.296 0 1 FIAF Cc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br 587117581 KWOVYJMZCNFLMI-UHFFFAOYSA-N 359.149 4.053 0 1 FIAF COC(=O)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136772 VOLOJEKQZISMSU-UHFFFAOYSA-N 367.149 4.057 0 1 FIAF COc1ccc(Cc2nc3cc(Br)c(F)cc3[nH]2)c(F)c1 587149064 OWBXKXMMZKKXGR-UHFFFAOYSA-N 353.166 4.203 0 1 FIAF CC[C@]1(C)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2O1 587452091 DCZZFBGHEXDWRY-HVETUWLQSA-N 350.414 4.289 0 1 FIAF O=Cc1ccc(OCCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 587566215 AUEGNHLDZHCXRH-UHFFFAOYSA-N 370.408 4.228 0 1 FIAF C[C@]1(C[C@H]2CCCCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604681 VGMJMGYRPXUXNX-YFYZNPQRSA-N 366.413 4.262 0 1 FIAF C[C@@H]1COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587619425 XTBNDWCOMPVZQW-IJIZOXLDSA-N 374.392 4.278 0 1 FIAF O=C(Nc1cccc(C(F)(F)F)c1)n1ncc2ccc(Cl)cc2c1=O 587651881 QJUYDJVYTWXXKK-UHFFFAOYSA-N 367.714 4.149 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nccnc23)N1 587776502 DIMLXXFBKQRARX-XTZNXHDOSA-N 372.241 4.155 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2ccccc2)N1 587816379 XKVJWFIVWHFFCQ-ADLMAVQZSA-N 362.242 4.221 0 1 FIAF CCOc1ccc(OCC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587938276 SZGDMZKQEQDARM-UHFFFAOYSA-N 352.390 4.035 0 1 FIAF Oc1cc(-c2ccccc2)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 587946153 KLQFTZDZHHNGJC-UHFFFAOYSA-N 361.376 4.075 0 1 FIAF Cc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1 653687415 CXUFALXJODVTJF-UHFFFAOYSA-N 362.473 4.319 0 1 FIAF N=C(N)Nc1ccc(CNc2c(-c3ccc(F)cc3)nc3ccccn23)cc1 653799423 USYKPUUWIVVPTK-UHFFFAOYSA-N 374.423 4.058 0 1 FIAF Cc1ccc2c(c1)CCCN2[C@@H](C)[C@]1(C)NCCc2c1c(C(C)C)nn2C 962917600 ZYIHDFSMNPWPAI-SBUREZEXSA-N 366.553 4.054 0 1 FIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@]41COC(=O)O1 2356739041 WIYJSBIUVLCAHT-NGWSXKNDSA-N 362.466 4.390 0 1 FIAF Cc1c(C2CCCC2)c(=O)on1C(=O)N1CCC(c2ccccc2)CC1 26850320 WFZLBKRYYUBLJA-UHFFFAOYSA-N 354.450 4.255 0 1 FIAF CCCC[C@]12C[C@@]1(C(=O)Nc1ccccn1)C(=O)Nc1ccc(Cl)cc12 34821598 OGMOFIAVFJQDAR-UXHICEINSA-N 369.852 4.144 0 1 FIAF COc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)ccc1O 40379948 IHRNYHWGJUMPFJ-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF CCc1nn(CCO)c(CC)c1[C@@H](OC)c1cc(Cl)cc(Cl)c1 45259992 HIVXGEOXIKJQBL-KRWDZBQOSA-N 357.281 4.043 0 1 FIAF CN(Cc1ccc(Cl)cc1)CC1CCN(C(=O)c2ccccc2)CC1 84634243 JGUHHLBDCRMNGG-UHFFFAOYSA-N 356.897 4.324 0 1 FIAF CC[C@]1(C(=O)O)OC[C@@H](CCCCc2nc(-c3ccccc3)oc2C)CO1 101489954 NXIZKFYYHVTHFH-NBEIKUQISA-N 373.449 4.217 0 1 FIAF C[C@@H](C(=O)O)c1ccc2c(c1)OCc1cc(C(F)(F)F)ccc1C2=O 169340396 KXZUUEXXNUTQBJ-SECBINFHSA-N 350.292 4.017 0 1 FIAF COc1cc(/C=C/C(=O)OCO)ccc1OC/C=C(/C)CCC=C(C)C 238778145 AAJFSRCGOHSTPA-JAFJZCHDSA-N 360.450 4.273 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(OC)c3)cc2)C[C@H]2CC[C@H]1N2C 253635399 YAWYTOJUXFKJAW-ZHHKINOHSA-N 365.473 4.102 0 1 FIAF Clc1ccc2[nH]c(CCC[C@@H]3NC[C@H]4C[C@H]3CN3CCCC[C@@H]43)nc2c1 299826988 FKJXPOBOQROHGP-RPWFAHAXSA-N 372.944 4.001 0 1 FIAF Fc1cnc(Br)c2[nH]c(CCc3cc4ccccc4o3)nc12 586904543 WRZCUCLFDILGLF-UHFFFAOYSA-N 360.186 4.391 0 1 FIAF Cc1ccnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 586984127 IKVSSMXDERJQNY-INIZCTEOSA-N 371.282 4.214 0 1 FIAF Clc1cncc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012241 HOWKYUVCQSKVNC-UHFFFAOYSA-N 355.648 4.375 0 1 FIAF COc1ccc2nc(-c3nc4nc(Br)ccc4[nH]3)sc2c1 587033974 AOKOSLGFBGXIAX-UHFFFAOYSA-N 361.224 4.006 0 1 FIAF Clc1cnc(Cl)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 587042612 ULBGKHZVUWDGBQ-NWDGAFQWSA-N 365.289 4.211 0 1 FIAF O=C1CCc2cc3nc(-c4coc(-c5ccccc5Cl)n4)[nH]c3cc2N1 587060369 CYQATCFXOAWLEI-UHFFFAOYSA-N 364.792 4.423 0 1 FIAF COc1ccc(-c2nc3cc(C)cc(Br)c3[nH]2)c(Cl)n1 587086361 HIKZCROQBFZZEZ-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF Cc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Br 587088519 OBGAKHHUQHGPIH-SECBINFHSA-N 356.214 4.384 0 1 FIAF FC(F)(F)c1ccccc1Cc1nc2cncc(Br)c2[nH]1 587097951 MBYFBSQHWKQMCC-UHFFFAOYSA-N 356.145 4.330 0 1 FIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 587200560 IPZXHBNFVZVZSB-UHFFFAOYSA-N 371.828 4.128 0 1 FIAF NCc1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587245862 FRGWFYGIKGTSOX-UHFFFAOYSA-N 370.172 4.470 0 1 FIAF C[C@]1(c2ncccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328472 ASGNGGUOPBXYPP-NQIIRXRSSA-N 367.351 4.340 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(=C\N(C)C)c1ccc(Cl)cc1)O2 587378357 NVKSIUZZLALVTN-JVCXIRSZSA-N 356.853 4.167 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1cscc1Br)[C@@H](C2)C3=O 587454232 VRYQRTNIEAFPTH-MGPLVRAMSA-N 365.248 4.182 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(O)c(Cl)cc31)CC2=O 587459546 FDDWYXJIEOEVRW-HXUWFJFHSA-N 374.820 4.347 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)nc1)CC2=O 587460669 VLUMQDMSCKDNOI-HNNXBMFYSA-N 362.223 4.209 0 1 FIAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)c3nccc(C)c13)CC2=O 587474087 AUXABMTWAFGVOG-SFHVURJKSA-N 350.418 4.246 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](COC(C)=O)(c1ccc(C)cc1)CC2=O 587484472 RWQNGEUKKPNDML-QFIPXVFZSA-N 368.429 4.077 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c3ncccc13)CC2=O 587486231 AUQKEQVGYIUGDY-JOCHJYFZSA-N 363.413 4.479 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)s2)N1 587851826 CUCJXERIOHKJTO-QTTZVWFDSA-N 361.667 4.322 0 1 FIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2o1 587868906 WTNUVDSRRVGSOF-UHFFFAOYSA-N 360.295 4.103 0 1 FIAF COc1cccc(-c2cc(O)cc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)c1 587933116 KGKHOKOGQLRICY-UHFFFAOYSA-N 360.369 4.340 0 1 FIAF Nc1cccc([C@]2(CCC(=O)O)NCCc3cccc(-c4ccccc4)c32)c1 962672264 WGKSIYOPXNUUOI-DEOSSOPVSA-N 372.468 4.190 0 1 FIAF CCOC(=O)[C@@H]1CC[C@@]2(C=C1C)N[C@@H](CC)Cc1c2[nH]c2ccccc12 962957850 ZKXHGWNTHMWFMW-DMPWYTOCSA-N 352.478 4.207 0 1 FIAF CC(C)(C)OC(=O)N1CCC12CC1(C2)c2ccc(F)cc2C[C@@H]2CCCN21 963106908 OITGLRFAMMAEMI-YTXWROIDSA-N 372.484 4.215 0 1 FIAF Cc1nn(-c2ccccn2)c2cc(-c3cccc(CCC(=O)O)c3)ccc12 1772643062 ZCQRQXPPYJXTFH-UHFFFAOYSA-N 357.413 4.413 0 1 FIAF CCN(CC)Cc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1 1857657049 NLPNIQWWVZDFHL-UHFFFAOYSA-N 367.445 4.319 0 1 FIAF CO[C@@H]1CC(=CC[C@@]2(C)[C@@H]3CCC=C(C(=O)O)[C@@]3(C)CC[C@H]2C)C(=O)O1 2356594940 MRXKWDQPIXXGBB-WTPAXMCGSA-N 362.466 4.086 0 1 FIAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCCC[C@H](C)[C@@H]1OC(=O)[C@@H]1CO 2356870759 XUNUQGSQIUZPQY-GBYFWLHCSA-N 366.498 4.110 0 1 FIAF OCC1(C[C@@H]2CCCCO2)CCN(Cc2ccccc2-c2ccco2)CC1 13593592 HIKUYHZMMMLRKM-FQEVSTJZSA-N 369.505 4.480 0 3 FIAF COc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccco2)cc1 1002365 MNBRGQFLRGGDOF-UHFFFAOYSA-N 370.792 4.446 0 1 FIAF Oc1cn(-c2ccc(Cl)cc2)nc1-c1nnc(Nc2ccccc2)o1 3595317 MSCYCDDWOWJYKP-UHFFFAOYSA-N 353.769 4.025 0 1 FIAF Oc1ccc([C@H]2N=CN[C@H]2c2c(Cl)cc(O)cc2Cl)c(Cl)c1 13558455 ZGYGDLBCSDNAFX-CABCVRRESA-N 357.624 4.472 0 1 FIAF Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cc2c[nH]c3c(C)cccc23)c(C)c1 28820779 WARGUMLXSXFEQS-QGZVFWFLSA-N 370.518 4.311 0 1 FIAF O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1cccs1 34282105 VRZIYMYSNOVVOK-KRWDZBQOSA-N 362.520 4.043 0 1 FIAF Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccnc2cc(Cl)ccc12 34648163 XOLZFSQSQUKIBP-UHFFFAOYSA-N 363.808 4.030 0 1 FIAF Cc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1F 45201004 VSGMTGSXRLQYAL-ACJLOTCBSA-N 355.375 4.407 0 1 FIAF O=C(NCC1CCNCC1)c1ccccc1-c1cccc(C(F)(F)F)c1 49047883 OHJZLVQSQPDTJH-UHFFFAOYSA-N 362.395 4.102 0 1 FIAF C=CCc1cc2c(cc1O)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 59234826 AEFIJALBGAGMIC-MPBGBICISA-N 356.418 4.384 0 1 FIAF biogenic COc1ccc([C@@H]2CC(=O)N[C@H]3CCCC[C@@H]3N2Cc2ccccc2)cc1 96929580 CQLOYQHVHMMETF-FKBYEOEOSA-N 364.489 4.070 0 1 FIAF Cc1c(C(=O)O)oc2cccc(O[C@@H](CCC(=O)O)c3ccccc3)c12 98082983 YYGKADLCRYVXGH-AWEZNQCLSA-N 354.358 4.424 0 1 FIAF CC(C)(O)c1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 100621265 LYHZWQKZHMMFOY-KNQAVFIVSA-N 374.484 4.117 0 1 FIAF CCO[C@H](c1ccc(Cl)cc1)[C@H](n1ccnc1)[S@](=O)C(C)(C)C 102001280 GOSHMJDRYBNRAC-CKNGIIGNSA-N 354.903 4.360 0 1 FIAF Clc1cnc2nc1NCCc1cccc(c1)OCCc1cccc(c1)N2 142437438 DDEPHNOBUQYIBZ-UHFFFAOYSA-N 366.852 4.463 0 1 FIAF Cc1ccc(-c2cn3ccc(-c4nc5c(C)ncc(C)n5n4)cc3n2)c(C)c1 149311804 VVPPGWHZZRJHHT-UHFFFAOYSA-N 368.444 4.340 0 1 FIAF C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2cccnc2)CC1 169312131 JPQXHMKFPRZCRL-GOSISDBHSA-N 373.500 4.324 0 1 FIAF O=C(N[C@H]1CCC[C@@H](NCc2c[nH]c3ccccc23)C1)c1ccc(F)cc1 169350908 RJEOWQOMOYEZIE-MOPGFXCFSA-N 365.452 4.138 0 1 FIAF Cc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 473100524 HYYRIYHTCGCJAV-OAHLLOKOSA-N 365.408 4.131 0 1 FIAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3CCC3)[nH]c2c1 586884313 MRTGRAUWBIEICW-UHFFFAOYSA-N 361.854 4.285 0 1 FIAF O=S(=O)(c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1)C(F)(F)F 587034415 UMPRJONQKJWDAO-UHFFFAOYSA-N 372.393 4.074 0 1 FIAF Brc1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2n1 587036869 OSDZKBXYLCGYKA-LLVKDONJSA-N 352.282 4.161 0 1 FIAF Cc1cncc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587081052 KOHNXQANIVDWFR-UHFFFAOYSA-N 360.808 4.296 0 1 FIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587195380 JBBOJRNDWWLGAT-QMMMGPOBSA-N 369.778 4.195 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(Br)cnc3o1)O2 587370103 BSZOMEGWKIDBJA-OAHLLOKOSA-N 373.206 4.187 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)(C1CCNCC1)O2 587378000 LQVMISQUVKSMCK-OAQYLSRUSA-N 370.880 4.091 0 1 FIAF COc1ccc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(Cl)nc2c1 587379835 LIBOWHSUSSKNIE-GOSISDBHSA-N 368.820 4.494 0 1 FIAF CCOc1ccc(Cl)cc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421695 WQFXHLWKMKSIMS-QRWLVFNGSA-N 358.821 4.410 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](CSC(C)=O)(c1ccccc1)CC2=O 587491581 LTLIQXYLKLKYDL-NRFANRHFSA-N 370.470 4.485 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3cc(C)ccn3c1C)CC2=O 587492956 YVYPOALGXQPDLJ-QFIPXVFZSA-N 364.445 4.490 0 1 FIAF O=C1C[C@@H](c2cnc(O)c(Br)c2)Oc2c1ccc1c2CCCC1 587495223 BRKKSWAGRUUOMH-INIZCTEOSA-N 374.234 4.135 0 1 FIAF Cc1cc(Cl)cc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587499928 KANNBBLNVIPZJW-OAQYLSRUSA-N 367.832 4.340 0 1 FIAF CCCOc1ccccc1[C@@]1(CN)CC(=O)c2ccc3c(c2O1)CCCC3 587512511 YKMPJZPVVZPEJH-QHCPKHFHSA-N 365.473 4.174 0 1 FIAF COc1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587571343 NDAJACUXJXXSGD-GHTZIAJQSA-N 366.344 4.243 0 1 FIAF O=C(c1cc(Cl)ccc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651773 ZEHSXKIEESNNEQ-UHFFFAOYSA-N 353.592 4.045 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2Cl)N1 587706965 TYCLCRZCGCEJEO-FVMDXXJSSA-N 369.665 4.434 0 1 FIAF CC(C)c1nn(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587767283 XXYQPXGVYGSTMF-BTDLBPIBSA-N 366.278 4.069 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3n[nH]cc3c2)N1 587794302 LVSFVWWHEOFIBY-XLFHBGCDSA-N 360.230 4.088 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)OCc1ccc(OC)cc1 587871268 DVXWBADPGDIZTN-UHFFFAOYSA-N 370.380 4.281 0 1 FIAF COc1ccc2cc([C@@H](C)c3nc4cc5nc(O)[nH]c5cc4[nH]3)ccc2c1 587934637 LAOPJDJUJZFCQI-LLVKDONJSA-N 358.401 4.458 0 1 FIAF COC(=O)c1ccnc2[nH]c(Cc3ccc(-c4ccccc4C)cc3)nc12 587960034 VDMSRZNXVIANDO-UHFFFAOYSA-N 357.413 4.311 0 1 FIAF COC(=O)c1ccc(OC)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 653848800 UZZKUGGLZWAUGZ-UHFFFAOYSA-N 361.397 4.401 0 1 FIAF Cn1ncc2cccc([C@H]3NC4(CC4)Cc4ccc(Br)cc43)c21 961613966 JKZVTYJJRHGRLB-QGZVFWFLSA-N 368.278 4.104 0 1 FIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cc(F)c(N)c(F)c2F)N1 962940608 DDVKOHKGNVDSKW-WVDJIFEKSA-N 359.395 4.355 0 1 FIAF O=C(c1ccccc1O)n1nc(Nc2ccccc2)cc1-c1ccccc1O 1772590298 CADYKNKPEWDIGJ-UHFFFAOYSA-N 371.396 4.393 0 1 FIAF COc1cc(CCc2ccccc2)c(OC)c(OC)c1C=CC(C)(C)O 2356606560 VAWLOHIDGSDNAL-UHFFFAOYSA-N 356.462 4.282 0 1 FIAF CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1CC[C@]1(C)c3cocc3CC[C@H]12 2356627012 SMXDQQCBDPYKBT-ZSYZGHEHSA-N 360.494 4.242 0 1 FIAF COC(=O)CC=C1CC2=CC[C@]3(C)C(=O)CC[C@]3(C)[C@H]2CC[C@@H]1C(C)(C)O 2356678717 QHOOFRIKIADFKW-ZRGHVXQMSA-N 374.521 4.369 0 1 FIAF COc1cc([C@H](c2ccc(OC)c(OC)c2)[C@@H](C)[C@H](C)CCO)ccc1O 2356782592 JWXWYLISMAKORK-ZCCHDVMBSA-N 374.477 4.205 0 1 FIAF CC(C)=CCn1c2ccccc2c2c(OC[C@H](O)CN(C)C)cccc21 2382258072 QKLIJXLNNTYKMA-QGZVFWFLSA-N 352.478 4.062 0 1 FIAF CC(C)c1cccc(-c2nc3c(NC4CCC(O)CC4)nccc3[nH]2)c1 74386567 TZIPKYGHSLKKDS-UHFFFAOYSA-N 350.466 4.464 0 3 FIAF COc1ccc([C@@H]2CC(=O)c3cc(OC)c4occc4c3O2)cc1OC 15119334 OBIYEOXVXASSGF-INIZCTEOSA-N 354.358 4.165 0 1 FIAF biogenic CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)NCn1cc(-c2ccccc2)nn1 17261351 IAPQUATXEHBRED-IEZWGBDMSA-N 356.470 4.090 0 1 FIAF Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1O 28456459 ITNOVEGIPVWYAW-UHFFFAOYSA-N 355.415 4.294 0 1 FIAF COc1ccc([C@@H]2CC[C@@H](OCCCCc3cccnc3)O2)cc1OC 29309322 OHMYPLMLHSXMER-RXVVDRJESA-N 357.450 4.316 0 1 FIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CN(C(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29404988 YXKNWBJKYNIVOY-OVFLGSAZSA-N 361.526 4.029 0 1 FIAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccsc2)O[C@H]1c1cccnc1 36242499 MNZKTVZKROTVFA-FKGPONGISA-N 359.447 4.357 0 1 FIAF C[C@@H]1CNc2c(sc3ccc4nc(-c5ccncc5)ccc4c23)C(=O)N1 43062269 DIJIJDANNOSBAG-LLVKDONJSA-N 360.442 4.055 0 1 FIAF COc1cccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)c1 72109766 BPGXCGDKTSPBIM-UHFFFAOYSA-N 372.446 4.094 0 1 FIAF C[C@H](Nc1cc(N2CCC[C@H](C(C)(C)O)C2)ncn1)c1ccc(Cl)cc1 82154233 MHZCCOSHJBQIHU-HOCLYGCPSA-N 374.916 4.290 0 1 FIAF COc1ccc(SC[C@H](O)Cn2c3c(c4ccccc42)CCC3)cc1 84708832 HFCADXKSIBQXBF-OAHLLOKOSA-N 353.487 4.292 0 1 FIAF COc1cc([C@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@@H](C)[C@H]2C)ccc1O 86043444 KBIHHHDCLJQNHG-LJNVALIGSA-N 374.433 4.208 0 1 FIAF in-man Cc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1C(C)(C)C 96178194 ABLWAUKVEWQUAQ-UHFFFAOYSA-N 368.462 4.152 0 1 FIAF COc1ccc(-c2cc(-c3c(O)c(OC)c4occc4c3OC)[nH]n2)cc1 101651691 OGLCCVPBDJRLHY-UHFFFAOYSA-N 366.373 4.221 0 1 FIAF O=C(O)/C=C/[C@@H]1[C@H]2C[C@H]3[C@H](CCCc4ccc(O)cc4)[C@@H]4[C@H]3[C@H]2C=C[C@H]14 169326883 ZCRUGKKXGAGXFI-JYGHKZJLSA-N 350.458 4.286 0 1 FIAF CCCCC[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCSCC(=O)O 169338006 XSDONMUCMOXKHQ-CIUOSJGZSA-N 370.555 4.457 0 1 FIAF Cc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1Cc1ccco1 299821306 JYKDVHHMOHQQKH-UHFFFAOYSA-N 370.478 4.082 0 1 FIAF CCc1nccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987825 HTQZWPSRWDGAHG-UHFFFAOYSA-N 353.381 4.171 0 1 FIAF Cc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Cl 586997259 PMWADGOXFULELY-CQSZACIVSA-N 351.631 4.369 0 1 FIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587094181 LSHDLBVLSKJRMQ-YFKPBYRVSA-N 373.684 4.365 0 1 FIAF COc1c(F)cc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1F 587134272 DPVIYCKRVUURHA-UHFFFAOYSA-N 357.129 4.418 0 1 FIAF CCc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587196986 FTZZXHNKAUBEFV-OAHLLOKOSA-N 359.470 4.041 0 1 FIAF CC(=O)N[C@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 587205610 DCQXEAMJMSFGFR-MRXNPFEDSA-N 361.367 4.310 0 1 FIAF COCC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350912 SPNNSWCJDHJXRJ-GJULWVSJSA-N 370.420 4.466 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3cccc(Br)c31)O2 587374850 ZMYOIPCSVCGALN-SFHVURJKSA-N 373.250 4.016 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cccn3)cc1Cl)O2 587377253 VPVWOPLXAGCZHX-GOSISDBHSA-N 353.809 4.123 0 1 FIAF COc1cc2ccccc2c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC 587401371 WYLWAZZPPXRHQK-GOSISDBHSA-N 363.413 4.454 0 1 FIAF COc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403655 PIDJWNXYBCHZLO-QHCPKHFHSA-N 359.425 4.495 0 1 FIAF COc1ccccc1-c1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 587413435 NXTGCQMRKAHJJS-KRWDZBQOSA-N 366.442 4.416 0 1 FIAF COc1cc2c3c(c1)O[C@H](/C(=C/N(C)C)c1ccc(Cl)cc1)[C@@H](C2)C3=O 587421233 KTXDTPLCLLTEGG-CJHJKDEHSA-N 369.848 4.067 0 1 FIAF COC(=O)c1cc(OC)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527634 XMHZTZGJLRAJEZ-FQEVSTJZSA-N 366.413 4.067 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1O 587547874 NXKMEERXMUPPIS-PXNSSMCTSA-N 368.772 4.454 0 1 FIAF C[C@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592350 YBLLSYWZRUMNEI-XMSQKQJNSA-N 372.380 4.146 0 1 FIAF CCOCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587617024 OCOVPNSZZYWUKL-WIYYLYMNSA-N 366.369 4.225 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Cl)cc2F)N1 587731263 YQSNMADGNDQZCV-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF CCN(CC)Cc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)o1 587876126 ZKMJCWIJJVHLNA-UHFFFAOYSA-N 355.369 3.918 0 1 FIAF COc1cc2c(cc1OC)[C@@H](c1cc(F)c3[nH]ccc3c1)N(C)[C@H](C)C2 962625775 JWLKNQJPZADINO-XUSGNXJCSA-N 354.425 4.290 0 1 FIAF CSc1ccc([C@]2(C3CCC3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962899016 PZEYQUJBTVGEBD-RXVVDRJESA-N 371.477 4.190 0 1 FIAF Cc1ccc2[nH]c(-c3ccc(Cn4nc(C)c(CC(=O)O)c4C)cc3)nc2c1 1772570469 YHAIZIAYYLKPBC-UHFFFAOYSA-N 374.444 4.027 0 1 FIAF c1cncc(-c2cc(N3Cc4ccccc4C3)nc(-c3ccncc3)n2)c1 1857601046 GCLXYYMGZFENJV-UHFFFAOYSA-N 351.413 4.121 0 1 FIAF CC(=O)O[C@@H](C=C(C)C)CC(C)=CCOc1ccc2ccc(=O)oc2c1 2356466459 HBHAENAAWHAOMI-IBGZPJMESA-N 356.418 4.406 0 1 FIAF COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](C)[C@@H]2C)ccc1O 2356550486 VEFZLUCJNOJAGR-FTLABTOESA-N 358.434 4.084 0 1 FIAF CCCCC=CC=CC=CCCCCCCCC(=O)OC[C@@H](O)CO 2356747447 WABDDVFNZRATDQ-FQEVSTJZSA-N 352.515 4.472 0 1 FIAF CN(C)c1ccc(NC(=O)Nc2nc([C@H](N)C3CCCCC3)cs2)cc1 61929433 MRSZWKRMGABGLT-QGZVFWFLSA-N 373.526 4.433 0 3 FIAF COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1ccc3ccccc3c1C2=O 5923242 VODISZCOJIVBTN-WMZHIEFXSA-N 370.408 4.354 0 1 FIAF CCN(CC)[C@@H]1Oc2cc3c(cc2[C@H](c2ccc(OC)cc2)[C@@H]1C)OCO3 17252776 WWDZZJZRKOMCFQ-JQOQJDEVSA-N 369.461 4.252 0 1 FIAF COc1ccc(-c2cc(NCCN(C)C)c3cc(F)ccc3n2)cc1F 28642026 FXKZNGAHDGXEIV-UHFFFAOYSA-N 357.404 4.162 0 1 FIAF N=C(NCc1ccc(Cl)c(Cl)c1)NC(=N)Nc1ccc(Cl)cc1 29413674 ZQMPHUKRDQPUFS-UHFFFAOYSA-N 370.671 4.308 0 1 FIAF CCc1c(Sc2cc(C)cc(C)c2)n(CCC2CCCC2)c(=O)[nH]c1=O 43009053 GEDPGHCHJLPGEG-UHFFFAOYSA-N 372.534 4.447 0 1 FIAF Oc1cc(CSc2cccc(F)c2F)nc2cc(-c3ccco3)nn12 43195973 KRYBRGFHTMNSLG-UHFFFAOYSA-N 359.357 4.265 0 1 FIAF O=C(Nc1ccc(NC(=O)c2cnc3ccccc3n2)cc1)c1ccccc1 64527649 DRGOWSPNQMCYNZ-UHFFFAOYSA-N 368.396 4.134 0 1 FIAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1Oc1ccccc1)C2 100808923 DWBUNZMQQLCLIM-IAGOWNOFSA-N 351.450 4.226 0 1 FIAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@H]2CC[C@H]1N2C 100875728 HIFPRIPRHSYXGH-NCYKPQTJSA-N 366.505 4.130 0 1 FIAF COc1c(O)c(OCC=C(C)C)cc2c1C(=O)C[C@H](c1ccccc1)O2 149624020 NHZAFPXCSOUDSW-MRXNPFEDSA-N 354.402 4.452 0 1 FIAF NC(=O)c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1 165463744 VSGWOVAUZYBYCE-UHFFFAOYSA-N 373.338 4.082 0 1 FIAF NCCNc1cc(N2CCCc3ccccc3C2)nc2ccc(Cl)cc12 205306193 IZSKKJDANDBBLE-UHFFFAOYSA-N 366.896 4.212 0 1 FIAF O=C(NCCCc1ccc(Cl)cc1Cl)[C@@H]1CCOc2ncsc21 220879316 CTPPZMFBEQIHTJ-GFCCVEGCSA-N 371.289 4.065 0 1 FIAF Cc1ccc(-n2ccnc2SCc2nc3nc(Cl)c[nH]c-3n2)c(C)c1 586966510 OXRWUKYKIJTSKE-UHFFFAOYSA-N 370.869 4.053 0 1 FIAF CC(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586996203 SWMVWNOQXMPSJM-UHFFFAOYSA-N 358.239 4.183 0 1 FIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Cl)nccc3[nH]2)s1 587023935 XKZOZNMEGAZRNB-UHFFFAOYSA-N 351.819 4.082 0 1 FIAF O=C(O)c1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587133978 GWOSIGQESXJVND-PLNGDYQASA-N 354.234 4.127 0 1 FIAF Fc1cc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2cc1-n1cccn1 587150863 FWTUSDGAVOPBJE-NWDGAFQWSA-N 354.335 4.437 0 1 FIAF CCOC(=O)CSCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209709 SLLGJVWDQSTJGC-UHFFFAOYSA-N 363.438 4.243 0 1 FIAF Nc1ccc(-c2ccc3nc(/C=C\C(=O)Nc4ccccc4)[nH]c3c2)cc1N 587243195 CZXKKXICCVZLGG-KHPPLWFESA-N 369.428 4.046 0 1 FIAF Cc1cc(F)c2[nH]c(Cc3ccc(NC(=O)c4cnoc4C)cc3)nc2c1 587245635 WCCQBGNUUKOING-UHFFFAOYSA-N 364.380 4.150 0 1 FIAF O=C1C[C@@H]2CC3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587348583 DLLIAGYDQHUJBZ-JZKQVHKSSA-N 366.388 4.018 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(C(=O)O)cc1C)CC2=O 587488949 LKSXWNORFJYMSA-GOSISDBHSA-N 354.402 4.366 0 1 FIAF O=C1C[C@H](c2ccn([C@@H]3CCCCO3)n2)Oc2c1ccc1c2CCCC1 587516020 QJHXJVFEQPBBEH-UXHICEINSA-N 352.434 4.168 0 1 FIAF CCN(CC)CCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569635 GVHLDQBRXGGFKB-KNQAVFIVSA-N 369.461 4.235 0 1 FIAF C[C@@]1(CCCCCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603368 MUVPTWKNZOOPIU-NQIIRXRSSA-N 370.401 4.148 0 1 FIAF CC(C)n1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587765227 RWQDJEOBWUHRDG-GTNSWQLSSA-N 366.278 4.163 0 1 FIAF Cc1ccc2[nH]nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587791078 FFCLRPTUKCSJJA-MGNBDDOMSA-N 374.257 4.397 0 1 FIAF CC(=O)C[C@@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587814966 JIXHLFDLGVICBZ-QGHHPUGFSA-N 354.263 4.097 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(Cl)n2)N1 587856063 XSYYVHCQEQFVJX-QTTZVWFDSA-N 361.667 4.322 0 1 FIAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(Cc2ccccc2)c1O 587944751 IMMPFVXWCHYQHJ-QGZVFWFLSA-N 374.343 4.112 0 1 FIAF Cn1cc(-c2ccc3ncnc(Nc4ccc5ncccc5c4)c3c2)cn1 653837813 FEPYBAFFXFFSLC-UHFFFAOYSA-N 352.401 4.322 0 1 FIAF CC[C@@]1(c2ccc3c(c2)CCCO3)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963576948 BTVQZVXRIDKZDN-WNSKOXEYSA-N 367.489 4.217 0 1 FIAF COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(OC)cc3)[C@H]2O)cc1 1772570672 BGQXRKQECQXVNM-GOTSBHOMSA-N 374.440 4.030 0 1 FIAF COc1ccc(Cl)cc1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772621807 ZZUWTZKGPRLLMI-MRXNPFEDSA-N 372.808 4.314 0 1 FIAF O=C(O)c1csc(-n2nc(-c3cccc(-c4ccccc4)c3)cc2O)n1 1772628695 OMLKKVIITVTOOX-UHFFFAOYSA-N 363.398 4.067 0 1 FIAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]3COC(=O)[C@H]3CC[C@H]12 2356797994 OSEFILMYXYHCQF-PEARTOQFSA-N 362.510 4.362 0 1 FIAF COC(=CC(=O)N(C)[C@@H](Cc1ccccc1)c1nccs1)CC(C)C 2356831978 HYUCTGGBSLQJEX-SFHVURJKSA-N 358.507 4.462 0 1 FIAF CC(C)NC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C 4904920 VXNOFHNAHDSKKZ-UHFFFAOYSA-N 365.477 4.137 0 1 FIAF Brc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 28572454 XXABYSVRHXDZSD-UHFFFAOYSA-N 351.292 4.071 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H]2CO[C@@H](C2)[C@@H]1C/C=C/CCCC(=O)O 34008145 DJKDIKIDYDXHDD-JBCYAYLHSA-N 350.499 4.336 0 1 FIAF O=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCCC1 43021599 QBNPYPZHAGFXGO-UHFFFAOYSA-N 351.425 4.361 0 1 FIAF Cc1cccc(N2CCN(Cc3coc(-c4ccccc4F)n3)CC2)c1C 72183046 MYTLKICCEWIEDP-UHFFFAOYSA-N 365.452 4.420 0 1 FIAF CCOc1cccc(-c2nc(CNc3cc(C(C)(C)C)nn3C)co2)c1 72186081 XZLJCKYFFSHVFL-UHFFFAOYSA-N 354.454 4.383 0 1 FIAF CC1(C)CCC(=O)N1c1ccc(C(=O)Nc2cccc3cccnc23)cc1 96909095 FYFSRCKNRRVQFF-UHFFFAOYSA-N 359.429 4.393 0 1 FIAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1 96929239 YKWKDJKRPXBHQV-QFBILLFUSA-N 367.468 4.141 0 1 FIAF Brc1ccccc1C[n+]1ccn(Cc2cc3ccccc3o2)c1 96930244 PJRYDCZYFUNNJT-UHFFFAOYSA-N 368.254 4.381 0 1 FIAF COc1ccc(-c2cc3cc(/C=C/C(=O)O)cc(OC)c3o2)cc1N(C)C 96934922 JVXYIESGICNQSV-VMPITWQZSA-N 367.401 4.281 0 1 FIAF COc1ccc(OC(=O)[C@@H]2[C@H](c3ccc(C)cc3)C[C@H]3CC[C@H]2N3C)cc1 253640155 IUPUVKOJONOTAC-XYEHWOGUSA-N 365.473 4.176 0 1 FIAF c1ccc(Cc2ncc(-c3nc4cc5c(cc4[nH]3)OCCCO5)s2)cc1 587021999 SMGLLSHYJNPRFP-UHFFFAOYSA-N 363.442 4.439 0 1 FIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(F)cc(F)c3[nH]2)c[nH]1 587061273 UBPORNBHZOLQDT-UHFFFAOYSA-N 357.751 4.031 0 1 FIAF Oc1nccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110104 NFIJOGIVOQDOTM-UHFFFAOYSA-N 361.245 4.292 0 1 FIAF COc1ccc(C(=O)c2ccccc2-c2nc3c(C)nccc3[nH]2)cc1F 587144649 PGXLWXAVEQCQLB-UHFFFAOYSA-N 361.376 4.312 0 1 FIAF N[C@@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C[C@@H]1c1ccccc1F 587157048 REFWZRYVJSRQSF-HXOBKFHXSA-N 371.415 4.275 0 1 FIAF O=C(O)c1cc(COc2cccc(-c3cc4c5c(cccc5n3)CC4)c2)on1 587211048 BKMNLAIRYSBBBL-UHFFFAOYSA-N 372.380 4.266 0 1 FIAF CC(C)(C)OC(=O)N1CC2(CCc3nc4cccc5c4c(c3C2)CC5)C1 587211708 HVWLPKATXMIXKT-UHFFFAOYSA-N 350.462 4.059 0 1 FIAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(Cl)ncc2[nH]1)C1CCCC1 587224120 DTNMACWHZTXOSE-AWEZNQCLSA-N 350.850 4.367 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1ccccc1Cl)O2 587378442 OPUPWAZYUUNCCY-GOSISDBHSA-N 367.836 4.338 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(Br)c1)[C@@H](C2)C3=O 587429896 XLSGQTRBHUOPAV-GUYCJALGSA-N 363.182 4.086 0 1 FIAF CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cccc(Cl)c21 587503255 YBOXFSODMLMWRF-OAQYLSRUSA-N 367.832 4.056 0 1 FIAF C[C@]1(c2cn(-c3ccccc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 587517170 IHFUHEODUQPJFB-JOCHJYFZSA-N 359.429 4.027 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1Cl 587549253 RKCDOQRFDWXUHY-BEFAXECRSA-N 353.761 4.144 0 1 FIAF COc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601594 UCAJVEBOMXYCNG-NFBKMPQASA-N 374.392 4.204 0 1 FIAF C[C@@]1(CCCCCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603370 MUVPTWKNZOOPIU-RXVVDRJESA-N 370.401 4.148 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1(c2ccccc2)CC1 587604569 WVJXRJSQUUDURB-SIKLNZKXSA-N 358.393 4.454 0 1 FIAF CCCCCC[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587826821 JJPPPAZAWVSBHU-GTNSWQLSSA-N 372.278 4.373 0 1 FIAF CCC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 587835208 OEENZLOUFBVDLY-BDJLRTHQSA-N 356.279 4.370 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)s2)N1 587852555 HGCTZKPQTINICY-PWCHPLFNSA-N 361.667 4.322 0 1 FIAF COc1cc2c(cc1OC)[C@@]1(CCCc3cc(C)ccc31)N(C)[C@H](C)C2 962620998 ATRDUYSQXVSXNV-MWTRTKDXSA-N 351.490 4.469 0 1 FIAF COc1ccc2c(c1OC)-c1c(Br)ccc3c1[C@@H](C2)N(C)CC3 1857566738 BEKOHGQOLPINNR-CQSZACIVSA-N 374.278 4.218 0 1 FIAF CC(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](C)c3ccoc3C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 2356472453 YFPBRZZBJVPWPJ-NFXHPICESA-N 360.494 4.310 0 1 FIAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F 10450433 WMZBNGJPHYBACH-JTQLQIEISA-N 368.767 4.125 0 1 FIAF CCN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](C)c1ccc(Br)cc1)C2 29463247 SARCZMQJOSUZFB-QIXHYMPYSA-N 366.299 4.111 0 1 FIAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3c(C)ccn3C)cc2)C[C@H]2CC[C@@H]1N2C 40741421 HIFPRIPRHSYXGH-CGXNFDGLSA-N 366.505 4.130 0 1 FIAF COc1ccc2nc(-c3ccc(OC)c(O)c3)c(NC3CCCC3)n2c1 43016441 UOPMGLFYYKQQTM-UHFFFAOYSA-N 353.422 4.079 0 1 FIAF O=C1OCC(Nc2ccc(Cl)cc2)=C1c1ccc(Br)cc1 72117134 KAVIZDMSTSGEHG-UHFFFAOYSA-N 364.626 4.483 0 1 FIAF c1cc2c(cc1O[C@H]1CCSC1)CCC1(CCN(C3CCC3)CC1)O2 73222780 NOCGMUFBVUCSBB-IBGZPJMESA-N 359.535 4.283 0 1 FIAF CC[C@@H](C)NC(=O)c1cnc(NC2CCCC2)nc1-c1cccc(C)c1 82146028 HDAVVVQIMJQPCO-OAHLLOKOSA-N 352.482 4.335 0 1 FIAF CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCC3CC3)ncnc21 82186398 KVMZSJKDZFBAPB-MRXNPFEDSA-N 363.509 4.480 0 1 FIAF O=C(Nc1sc2c(c1C(=O)NCC1CC1)CCC2)c1ccccc1Cl 95562656 PXPAGYRDCRNGQA-UHFFFAOYSA-N 374.893 4.282 0 1 FIAF O=C1c2cc(I)ccc2S[C@H]1c1ccccc1 101913411 QXJRDHPRFWHQGU-AWEZNQCLSA-N 352.196 4.321 0 1 FIAF Cc1cc(C)c(-c2c(OC(=O)C(C)(C)C)n3n(c2=O)CCCCC3)c(C)c1 103274812 KVNCWNRLEFIJFY-UHFFFAOYSA-N 370.493 4.377 0 1 FIAF C[C@H]1c2oc(COc3ccccc3)nc2CCN1C(=O)c1ccc(F)cc1 473106410 XBSIOFDNNTWSKV-AWEZNQCLSA-N 366.392 4.152 0 1 FIAF O=C(O)c1ccccc1/C=C/c1nc2cc(Br)c(F)cc2[nH]1 586878470 FAGXFBATJIICND-AATRIKPKSA-N 361.170 4.333 0 1 FIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 587052957 VOUCJDHWAJSJIV-LLVKDONJSA-N 355.747 4.183 0 1 FIAF Cc1cc(Br)cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c12 587166778 IWMHZCDFHKQBTG-SREVYHEPSA-N 374.213 4.425 0 1 FIAF Cc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Cl 587194659 XJJVRRWKEFMNBT-CYBMUJFWSA-N 366.893 4.042 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O 587420281 HLVSDBOTKIQDFV-XOBRGWDASA-N 358.821 4.106 0 1 FIAF CCOc1ccc(Cl)cc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421694 WQFXHLWKMKSIMS-FOIQADDNSA-N 358.821 4.410 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)cc1C(F)(F)F)[C@@H](C2)C3=O 587422853 VJZYCTSYMMYQLT-KBXCAEBGSA-N 364.319 4.082 0 1 FIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(SC)c(OC)c1)[C@@H](C2)C3=O 587454231 XHRYLNGDWDLUPR-XOBRGWDASA-N 356.443 4.089 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3cc(OC)ccc31)CC2=O 587484826 NTJWHDGFZUWKRP-NRFANRHFSA-N 353.418 4.030 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(SC)ncc31)CC2=O 587492446 PHWLYXFYGNKLEB-HXUWFJFHSA-N 370.474 4.054 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)c1O 587541523 FLJVULUNYMLSPK-OXJNMPFZSA-N 368.772 4.454 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nccnc12 587588109 RWJGJZGBNPQLMU-GCJKJVERSA-N 370.364 4.038 0 1 FIAF Cc1cc(F)ncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587738438 OKWBKCAPZMFDOG-FVMDXXJSSA-N 353.210 4.054 0 1 FIAF CCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587775066 YSAQRKOUTXHFEW-BTDLBPIBSA-N 365.246 4.006 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)s2)N1 587846557 ICHPVZTZESXYAU-VXJOIVPMSA-N 354.244 4.086 0 1 FIAF O=C(CNc1ccc(F)c(Cl)c1)n1nc2cc1Oc1ccc(F)cc1-2 587874103 QFYFRBFVVVEEJO-UHFFFAOYSA-N 361.735 4.340 0 1 FIAF Fc1ccc(F)c2c1OCC[C@]21c2ccc(C(F)(F)F)c3c2CCN31 962717885 XVMTXKSJGXWONZ-KRWDZBQOSA-N 353.290 4.386 0 1 FIAF Cc1ccnc2c1CCN[C@@]2(C)c1c(N2CCCC2)nc2ccccc2c1C 963078679 YNMDMNYBCKDDHT-DEOSSOPVSA-N 372.516 4.256 0 1 FIAF COC(=O)Nc1noc2cc(-c3c(-c4cccc(C)n4)n[nH]c3C)ccc12 1772572106 OZSCQQMCCBYBLJ-UHFFFAOYSA-N 363.377 4.075 0 1 FIAF Cc1ccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 1857538371 XXWKFTXCPBFORX-UHFFFAOYSA-N 372.444 4.325 0 1 FIAF Cc1ccc(CN2CCOC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 2356322015 OLFVJQFAWDVSCR-HXUWFJFHSA-N 351.425 4.098 0 1 FIAF CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)cs2)CC1 61902776 YCOQBJWPJYVZPP-INIZCTEOSA-N 357.475 4.221 0 3 FIAF Cc1nc(Cl)c(-c2ccc(F)cc2)n1-c1ccc(S(C)(=O)=O)cc1 13525100 QYZKVFYBYMIQMC-UHFFFAOYSA-N 364.829 4.044 0 1 FIAF CC(C)(C)NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 13833875 YFMRPLLDOHHMCW-UHFFFAOYSA-N 368.433 4.454 0 1 FIAF O=C(NCC1CCNCC1)c1cccc(Cl)c1-c1cccc(Cl)c1 49047798 UXWAJBIIEUDZHQ-UHFFFAOYSA-N 363.288 4.390 0 1 FIAF CC(C)(C)COC(=O)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@H]2[C@H]1O 66058948 ZUULTBBYUDMOAY-OKAKVDCISA-N 372.505 4.035 0 1 FIAF COC(=O)[C@@H]1C[C@]23CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@@]4(C)[C@H]2CC[C@H]1C3 85956527 USASLHCCADYMNF-PLIQBZMSSA-N 362.510 4.362 0 1 FIAF in-man Cc1ccc([C@@H](C)N2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)s1 101366409 YFSPDWGKSWOSRI-VYCZESIESA-N 370.518 4.291 0 1 FIAF CCS(=O)(=O)N(CC1CC1)c1sc2ccccc2c1Br 115229591 MLCFQAFQBUWRHH-UHFFFAOYSA-N 374.325 4.230 0 1 FIAF CC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3c(n2)C(C)(C)CC3)CC1 299864766 MTKSUZRTGUTVDF-UHFFFAOYSA-N 366.513 4.281 0 1 FIAF Cc1nsc(N)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994060 RXDLIZWENJLYOH-UHFFFAOYSA-N 359.410 4.166 0 1 FIAF Cc1ccc(-c2nc(-c3nc4cc(Br)cnc4[nH]3)cs2)o1 587016478 MCHHNFNQZHRUQK-UHFFFAOYSA-N 361.224 4.412 0 1 FIAF OCc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587041359 NAYUJFBOURMKPY-UHFFFAOYSA-N 358.488 4.113 0 1 FIAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccnc(O)c4[nH]3)c2)cc1 587067643 IQAIGBMAALXZTA-UHFFFAOYSA-N 351.793 4.143 0 1 FIAF COCCc1c([C@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1CC3 587210692 DRKGQKYWVCOCNH-ZDUSSCGKSA-N 356.466 4.108 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587423341 XHIZYRVRGCCJKM-KPZWWZAWSA-N 364.319 4.211 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccccc3n1C)CC2=O 587474732 HIPYPFGNQCTYCR-NRFANRHFSA-N 350.418 4.112 0 1 FIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2c1OCCO2 587535205 JLZOJYTXARLVIA-SFHVURJKSA-N 366.413 4.052 0 1 FIAF COC(=O)c1ccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)cc1 587631620 QXZGYLPMHKISPG-UHFFFAOYSA-N 360.772 4.308 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(O)cccc32)N1 587835197 VOLPYUWTBMXKII-MLCYQJTMSA-N 362.242 4.018 0 1 FIAF COc1ccccc1NC(=O)Cc1nc(-c2ccc(F)c(F)c2)cs1 587922223 NKHLQBAZKZJNQX-UHFFFAOYSA-N 360.385 4.278 0 1 FIAF COc1cc(C)ccc1-c1nc2ccc(I)cc2[nH]1 587924974 HZMRRSKCILYUHH-UHFFFAOYSA-N 364.186 4.152 0 1 FIAF COc1ccc(CCCc2nc3cc(C(F)(F)F)ncc3[nH]2)c(OC)c1 587929617 ZBESNJBWWYLKJZ-UHFFFAOYSA-N 365.355 4.169 0 1 FIAF O=c1cc(-c2ccc(Cl)c(Cl)c2)[nH]c2c(-c3ccccn3)cnn12 653668347 KLKNGEAFYUMNLY-UHFFFAOYSA-N 357.200 4.058 0 1 FIAF C[C@@]1(c2ccc(Br)cc2N)NCCc2cc(Cl)ccc21 963391476 UMIRASOHIVELCZ-MRXNPFEDSA-N 351.675 4.094 0 1 FIAF COC(=O)[C@]1(C=C2c3ccccc3[C@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 1857621831 ASIWMRFKVKKMJP-REXLTYKQSA-N 362.425 4.125 0 1 FIAF COc1cc([C@@H]2O[C@H](c3cc(O)c(OC)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O 2356304914 IEXPORSGDXJAPE-LOMVZZFCSA-N 374.433 4.208 0 1 FIAF CCCCOC(=O)Nc1cc2nc(SC(C)C)[nH]c2cc1N(C)C 2382257357 RKXDYSHCKVTCNE-UHFFFAOYSA-N 350.488 4.478 0 1 FIAF Cc1nn(CCC(N)=S)c2nc(-c3cccs3)cc(C(F)(F)F)c12 8686123 SOGVLVLJMVAFPR-UHFFFAOYSA-N 370.425 4.163 0 3 FIAF O=C(Nc1cccc(F)c1)N1CCC(Nc2nc3ccccc3o2)CC1 6810559 JFCOATHJHFVTRA-UHFFFAOYSA-N 354.385 4.075 0 1 FIAF Cc1ccc2[nH]c(-c3ccc(S(N)(=O)=O)cc3)c(-c3ccccc3)c2c1 13477387 WLEHIXRTLHNISS-UHFFFAOYSA-N 362.454 4.458 0 1 FIAF COC(=O)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1 13860308 VFIDOTBECXYGSK-UHFFFAOYSA-N 366.808 4.375 0 1 FIAF COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1/C=C/C(C)(C)O 14721577 CYPXFTCVCNFZNY-ZHACJKMWSA-N 366.413 4.261 0 1 FIAF COc1cc(-c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)ccc1O 14763017 OZVILOLUKCJYAQ-UHFFFAOYSA-N 368.385 4.094 0 1 FIAF biogenic CCCCC[C@@H](O)/C=C/[C@H]1[C@H]2CO[C@H](C2)[C@@H]1C/C=C\CCCC(=O)O 27558315 DJKDIKIDYDXHDD-ZESXDWFFSA-N 350.499 4.336 0 1 FIAF O=C(/C=C/c1ccc(C(F)(F)F)c(F)c1)Nc1ccc2c(c1)OCCO2 28863815 GFQGVFHDMQSJDH-QHHAFSJGSA-N 367.298 4.268 0 1 FIAF C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 40472117 CEQYMIBPHSHBNB-MINJWGHFSA-N 356.462 4.076 0 1 FIAF CN1CCN(CCCCN2c3ccccc3Sc3ccccc32)CC1 53156498 ZKHCDKLHSIZAQE-UHFFFAOYSA-N 353.535 4.317 0 1 FIAF NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3ccccc3)cc2)nc1 73167481 WZVUQWRQADDXOE-NRFANRHFSA-N 373.456 4.310 0 1 FIAF Clc1ccccc1CCNc1nccc(Nc2cc(C3CC3)[nH]n2)n1 84633258 UEQIBRYPDWTFJX-UHFFFAOYSA-N 354.845 4.129 0 1 FIAF CC(=O)N1N=C(c2ccc(C)nc2)O[C@@H]1c1ccc(-c2ccccc2)cc1 96935250 DTVLUOMIZMOLMC-JOCHJYFZSA-N 357.413 4.296 0 1 FIAF CC1(C)CC(NC(=O)c2ccc(Nc3ccccc3)cc2)CC(C)(C)N1 146001225 YMRYSDHOANCPNV-UHFFFAOYSA-N 351.494 4.469 0 1 FIAF Cc1cccc(-c2cccc(C(=O)N[C@@H](CC(=O)O)c3ccccc3C)n2)c1 203892791 GUZCJDZUCXVJCD-NRFANRHFSA-N 374.440 4.311 0 1 FIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C)cc2[nH]1 587114161 WWWBDXNECCVDBC-SFHVURJKSA-N 361.367 4.290 0 1 FIAF NC(=O)c1cccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587148716 FIAHHKNAHUVJRE-IBGZPJMESA-N 360.392 4.002 0 1 FIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(F)cc(Br)c2[nH]1 587163209 IOBFKZMUFBDUSJ-OAHLLOKOSA-N 366.209 4.255 0 1 FIAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587170416 QCNYMIJRBKYQER-LBPRGKRZSA-N 357.454 4.300 0 1 FIAF Cc1c(Br)ccc2nc(Cc3c(F)cncc3Cl)[nH]c12 587176111 NNSMQEDIRGIRFH-UHFFFAOYSA-N 354.610 4.412 0 1 FIAF Nc1cc(C(=O)O)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587248849 FVCOJWUFECZCDK-UHFFFAOYSA-N 355.703 4.183 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)CC1(C)C)O2 587393162 GJMSYGWYEFXETD-HSZRJFAPSA-N 364.489 4.213 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1c(O)[nH]c4cccc(Cl)c14)[C@@H](C2)C3=O 587420534 IKVDSOFGCYJPPM-YPMLDQLKSA-N 355.777 4.024 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc(OC(F)(F)F)ccc1F)[C@@H](C2)C3=O 587421518 LILPYDOSBCHVSR-YVEFUNNKSA-N 368.282 4.222 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nc4scc(C5CC5)n14)[C@@H](C2)C3=O 587452394 MKZQHJQPHRFZGM-ORAYPTAESA-N 366.442 4.079 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OC)c1OC)CC2=O 587477894 KGBJPVPQVMNQJO-GOSISDBHSA-N 372.417 4.077 0 1 FIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(F)cc1F 587569605 RJLBFZRUWMNDDR-MOPGFXCFSA-N 368.335 4.243 0 1 FIAF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)cc1 587638078 ITNHLPOONIOACT-UHFFFAOYSA-N 363.291 4.287 0 1 FIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc(Cl)cc1F 587658155 INENVACDANSYDB-UHFFFAOYSA-N 369.758 4.379 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(F)cc2C=O)N1 587739024 SILJDUHMKAHSMZ-UOWDBTKRSA-N 372.234 4.225 0 1 FIAF Cc1cccn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 587776327 WOILNIDGMZQYMP-PIGZYNQJSA-N 374.257 4.168 0 1 FIAF Cc1ccc2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 587776890 YVALUPKLVSPHRW-VOJFVSQTSA-N 374.257 4.168 0 1 FIAF CCCOc1cccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587779279 XPBBEYDVIRTEFZ-UHFFFAOYSA-N 350.397 4.267 0 1 FIAF Cc1c[nH]c2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 587800132 AFKRDUOFKNUWFD-DYZYQPBXSA-N 374.257 4.397 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 587825471 DSXLKRICURVCMU-RDTWTUCRSA-N 366.274 4.097 0 1 FIAF COc1ccc(OC(C)(C)C)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587938445 XGRBWOWGNFRTCH-UHFFFAOYSA-N 366.417 4.423 0 1 FIAF CSc1nn2cc(-c3nc4cc(OC(F)(F)F)ccc4o3)nc2s1 653756226 QLHYXVGEWVJOKS-UHFFFAOYSA-N 372.353 4.220 0 1 FIAF COc1ccc2c(c1)[C@H](c1cn(C)c(-c3ccccc3)n1)N(C(C)C)CC2 962096745 ZODNIVTYSVFKEA-JOCHJYFZSA-N 361.489 4.452 0 1 FIAF CN1CCc2c(Br)cccc2[C@]12CSCCc1ccccc12 963290100 SYSWMDDEGCSNKM-LJQANCHMSA-N 374.347 4.470 0 1 FIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccc(F)cc1F)C1CC1 963609112 LRLSJAFMRQXQKL-XUSGNXJCSA-N 359.416 4.170 0 1 FIAF COc1ccc2c3c(ccc2c1)O[C@H](c1cc(F)c(F)cc1F)[C@@H](N)C3 1772595659 KGBMSMHIQJKLGU-AZUAARDMSA-N 359.347 4.269 0 1 FIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(C)=O 1857536571 ZJNYSXYHIAEESM-XVGQKIRDSA-N 374.521 4.059 0 1 FIAF CCCC=CC=CC=CCCCOC[C@H](O)COC(=O)c1ccc(O)cc1 2356522407 GPOOJUQRKZSJIB-NRFANRHFSA-N 374.477 4.175 0 1 FIAF Cc1cccc(OCc2ccnc3c2NC(=O)c2cccnc2N3C2CC2)c1 5931249 QXYIVJGRXIYKOT-UHFFFAOYSA-N 372.428 4.230 0 1 FIAF O=C1Nc2c(COCc3ccccc3)ccnc2N(C2CC2)c2ncccc21 5934224 QNNJBKMUOFJXHX-UHFFFAOYSA-N 372.428 4.060 0 1 FIAF O=C(NCC[C@@H]1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1 13525935 YDJIOVNVJAFPLG-HXUWFJFHSA-N 369.468 4.138 0 1 FIAF Fc1ccc(CNc2c(-c3ccc(F)c(F)c3)nc3ncccn23)cc1 21922532 CLZASUCFNXDTMU-UHFFFAOYSA-N 354.335 4.426 0 1 FIAF COc1ccc2c(c1O)CCCC=C2c1cc(OC)c(OC)c(OC)c1 34851536 POKSJDZWALGTEH-UHFFFAOYSA-N 356.418 4.195 0 1 FIAF Cc1cc([C@H](c2ccccc2)C(C)(C)C(=O)Nc2nncs2)ccc1O 72110233 CUNSDNZRZMUTPA-KRWDZBQOSA-N 367.474 4.349 0 1 FIAF Cc1cc(C)c(C(=O)OC2CCN(CCc3ccccc3)CC2)c(C)c1 169324894 QGRFRBRLYUFLIZ-UHFFFAOYSA-N 351.490 4.476 0 1 FIAF C[C@]12CCC3=C(CC[C@H]4C[C@H](O)CC[C@@]34C)C1=CC=C2C1=CC(=O)OC1 255277749 WQJNNNUFHZGNRX-JXULPDFHSA-N 352.474 4.394 0 1 FIAF Cc1c(Br)cnc2[nH]c(-c3cccc4c3OCC4(C)C)nc12 586912012 OCXJUKJYWRLDDU-UHFFFAOYSA-N 358.239 4.366 0 1 FIAF N[C@H](N=O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074824 CVOLDNPFXYHMJE-ZWKOTPCHSA-N 369.856 4.277 0 1 FIAF Fc1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587160855 FVJPXLLWCPQHDZ-UHFFFAOYSA-N 371.112 4.453 0 1 FIAF CC(C)(C)OC(=O)NC1(c2nc3ccc(Cl)cc3[nH]2)CCC(=O)CC1 587235249 IUNMWCOPXNGKSB-UHFFFAOYSA-N 363.845 4.079 0 1 FIAF COC(=O)Nc1ccc(-c2nc3c(Br)cc(C)cc3[nH]2)cc1 587243024 BCRUHAKNVLMWFP-UHFFFAOYSA-N 360.211 4.479 0 1 FIAF CC(=O)[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352873 JZSOZYKIAKVGLC-TZIWHRDSSA-N 356.393 4.264 0 1 FIAF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1N1C[C@@H](C)C[C@@H](C)C1)[C@@H](C2)C3=O 587438566 QFXISERGZBFJQW-MGQXXJGOSA-N 369.505 4.102 0 1 FIAF COc1cc2c3c(c1)O[C@H](c1cc4c(cc1OC)CCCC4)[C@@H](C2)C3=O 587445016 YRKCNAYRNMERCM-HTAPYJJXSA-N 350.414 4.071 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1sc(OC)nc1Cl)CC2=O 587496406 XDAAFWYDKDMFAB-GFCCVEGCSA-N 353.827 4.170 0 1 FIAF O=C1C[C@H](c2ccn([C@H]3CCCCO3)n2)Oc2c1ccc1c2CCCC1 587516024 QJHXJVFEQPBBEH-WOJBJXKFSA-N 352.434 4.168 0 1 FIAF O=C1C[C@@H](c2cnc(-c3cnccn3)s2)Oc2c1ccc1c2CCCC1 587534526 CEXWFOQPQFASDG-KRWDZBQOSA-N 363.442 4.185 0 1 FIAF Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587614200 RQMGTMMOCYSJQA-VQIMIIECSA-N 353.399 4.034 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2F)N1 587720691 TZEGXENAXDEKFF-PWJLMRLQSA-N 356.185 4.490 0 1 FIAF CCSC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587848557 XNCYAQAQZKCPHN-RFAUZJTJSA-N 360.292 4.007 0 1 FIAF C[C@@H](Cc1ccc(-c2ccc3cnn(-c4ccccn4)c3c2)cc1)C(=O)O 1772627683 GCSJWOJPWPYSCO-HNNXBMFYSA-N 357.413 4.351 0 1 FIAF Cc1cc(OCCN(C)C)cc2c1[C@@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1C=C2 1857618462 ILXJTEJGVQLLHQ-UGTOYMOASA-N 353.506 4.441 0 1 FIAF C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C[C@H]1OC(=O)C(Cl)=C[C@H]1CC 1857767975 YRUGQKJTUHLLOO-BJNJABSHSA-N 358.906 4.065 0 1 FIAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)C[C@H](O)C=C(C)C[C@H](O)[C@@H]12 2356521456 YVXKBXZXMGSJNO-VEZKKZKSSA-N 364.526 4.015 0 1 FIAF C[C@]12CC[C@@H]3c4c(Br)cc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O 2356610629 RFIKGEXHGJJIHW-ALCWZJMGSA-N 351.284 4.372 0 1 FIAF CC(C)=CCc1ccc([C@@H]2C[C@H](Cc3ccc(O)cc3)OC2=O)cc1O 2356612220 YOBDVZGDIRRERU-PMACEKPBSA-N 352.430 4.248 0 1 FIAF COc1ccccc1-c1ccc2c(c1)N(Cc1ccccc1)C(=O)COC2 74375396 XVUYCJZSSWCMBJ-UHFFFAOYSA-N 359.425 4.426 0 3 FIAF COC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)c(=O)n2c1CCC2 203461233 NNIYPRZWUXPMRY-UHFFFAOYSA-N 361.397 4.040 0 3 FIAF COC(=O)c1cc2c(cc1C[C@@H]1Cc3cc4c(cc3C1=O)CCC4)CCC2 6003320 OICBITAPYYBEOU-FQEVSTJZSA-N 360.453 4.048 0 1 FIAF COc1ccc(/C(F)=C(/F)c2cc(OC)c(OC)c(OC)c2)cc1N 6733319 AAMPMHWXIKGSBP-MSUUIHNZSA-N 351.349 4.068 0 1 FIAF CC(C)[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O 6918723 XNZUVVBZJHZUBO-QGZVFWFLSA-N 367.449 4.374 0 1 FIAF CC(C)COc1cccc(CN2CCN(C(=O)Nc3ccccc3)CC2)c1 20543933 HXQWWYPFITWQFY-UHFFFAOYSA-N 367.493 4.071 0 1 FIAF C[C@H](CCc1cccc(OCc2ccc3ccccc3n2)c1)Cc1nnn[nH]1 26721392 YMCYOKUMKYELQN-MRXNPFEDSA-N 373.460 4.138 0 1 FIAF C[C@H](CCCc1nnn[nH]1)c1cccc(OCc2ccc3ccccc3n2)c1 26722053 PBGVAFUTEIUHFM-MRXNPFEDSA-N 373.460 4.453 0 1 FIAF O=C(NC1CCCC1)Oc1ccc(C(=O)c2nc3ccccc3o2)cc1 28710818 VKVPLDBEVMSTKR-UHFFFAOYSA-N 350.374 4.090 0 1 FIAF Cc1ccc(C2=C(CC(=O)O)[C@H](c3ccc(Cl)cc3)NC(S)=N2)cc1 29412706 YNOHTNSJTPJQHJ-SFHVURJKSA-N 372.877 4.465 0 1 FIAF N=C(N)c1ccc(-c2ccc(-c3ccc4ccc(C(=N)N)cc4c3)o2)cc1 66103977 KEWJKDDWQUBRDE-UHFFFAOYSA-N 354.413 4.335 0 1 FIAF Nc1cc2cc(c1)Nc1nccc(n1)-c1cccc(c1)COC/C=C\COC2 96903233 LVRXBZNKAGNVHM-UPHRSURJSA-N 374.444 4.072 0 1 FIAF CC1=Nc2nnnn2[C@H](c2ccc(Cl)cc2)/C1=C(\O)OC1CCCCC1 104059978 WVZKWAHLLWMCDM-IBOXJLQUSA-N 373.844 4.141 0 1 FIAF CCCNC(=O)[C@H]1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 169720750 UOGTZDGSELFLDY-HOTGVXAUSA-N 365.264 4.028 0 1 FIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@@H](C(=O)SCC)[C@H]1CC 169721229 IHAGXWSASLOSNA-HZPDHXFCSA-N 359.491 4.357 0 1 FIAF COC(=O)C[C@@]1(C)CC[C@@]2(O[C@H](C(C)=O)C[C@@H]3C(C)(C)CCC[C@]32C)O1 238764527 ATPOMGXHYRDUKU-AKJHWKIKSA-N 366.498 4.025 0 1 FIAF Cc1c(Cl)ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc12 586949068 YNDQTXTVCDXVIG-UHFFFAOYSA-N 363.870 4.342 0 1 FIAF CN(C)CCOc1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085460 ULBHCRJTXGAOCZ-UHFFFAOYSA-N 366.852 4.372 0 1 FIAF OC1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCC(C(F)(F)F)CC1 587127480 YYHHCRIECAKWQF-UHFFFAOYSA-N 354.159 4.205 0 1 FIAF CCCc1nc(-c2nc3c(cnc4ccccc43)[nH]2)nn1-c1ccccc1F 587156609 XLMHXLZWGFZNMA-UHFFFAOYSA-N 372.407 4.450 0 1 FIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1 587202150 ARCYCHLMKYHBQH-UHFFFAOYSA-N 372.375 4.358 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccc3nccn13)CC2=O 587462446 QGAHRUJPWMIAJW-MRXNPFEDSA-N 356.809 4.352 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(C)=O)CC2=O 587468257 CSOQRTKQWNYIFQ-NRFANRHFSA-N 353.418 4.184 0 1 FIAF O=C1C[C@@H](c2cccc3c2OCCCO3)Oc2c1ccc1c2CCCC1 587536798 WORZNICNLQAQQI-FQEVSTJZSA-N 350.414 4.433 0 1 FIAF CCc1noc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588920 VIOBFVZXWXCWKO-NQIIRXRSSA-N 365.385 4.128 0 1 FIAF CC(C)c1nn(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587761413 BGCWESACJZVQSJ-DYZYQPBXSA-N 366.278 4.069 0 1 FIAF Cc1cc(O)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587835725 XRZPBCIIPCKFMC-BMLIUANNSA-N 350.231 4.226 0 1 FIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Cl)c(C(=O)O)c1 587869348 HPONACRTGKXLRN-UHFFFAOYSA-N 360.772 4.429 0 1 FIAF Cc1ccccc1-c1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O 587945043 KDSZEBFESICLOT-KRWDZBQOSA-N 374.343 4.497 0 1 FIAF Cc1c(F)ccc2c1[C@@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)NCC2 962299514 OGHYUBKVKPYGDN-MRXNPFEDSA-N 350.478 4.357 0 1 FIAF O=C(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)c1ccccc1 1857592762 IWLDOZJSJPHRDQ-UHFFFAOYSA-N 366.424 4.317 0 1 FIAF CC(=O)Nc1ccc(OCc2nnc(SCc3cccc(C)c3)o2)cc1 2382257828 DCXNQJJYNSYLTE-UHFFFAOYSA-N 369.446 4.208 0 1 FIAF Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccco2)cc1 8582774 MVBVKLMVDYXYQQ-UHFFFAOYSA-N 358.397 4.277 0 3 FIAF O[C@@H](c1ccc(CN2CCCCC2)cc1)c1ncc(-c2ccccc2F)[nH]1 61896216 SVDJCSKESHMLMP-NRFANRHFSA-N 365.452 4.283 0 3 FIAF CCCCCCC(=O)N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199717730 IOVVMRQTZMZANW-SFHVURJKSA-N 364.917 4.308 0 3 FIAF CC(C)CN(CC(C)C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 2500149 VFWRLVFEMBTESM-UHFFFAOYSA-N 364.493 4.440 0 1 FIAF CCc1ccc(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc1 4920058 QJMDOOALRJEVOB-UHFFFAOYSA-N 371.440 4.052 0 1 FIAF Fc1ccc2[nH]cc(CCCNCCOc3cccc4[nH]ccc34)c2c1 13581106 PFSLDEREWKLRLJ-UHFFFAOYSA-N 351.425 4.390 0 1 FIAF Cc1ccc(C(=O)Cn2c(=O)n(Cc3ccccc3)c3ccccc32)cc1 26721101 ZWYFJDGXQFFJSI-UHFFFAOYSA-N 356.425 4.043 0 1 FIAF CC(C)c1ccc(-c2ccc(F)cc2)n1C[C@H](C)[C@@H]1C[C@@H](O)CC(=O)O1 26835130 OMUIQGPGHFNSLA-NQYLQCIDSA-N 359.441 4.120 0 1 FIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 29336429 IWSCITFBDCQRGG-WVDJAODQSA-N 350.499 4.479 0 1 FIAF COc1cc(OC)cc(-c2cc3c(Nc4ccccn4)nccc3n2C)c1 74387012 BYBFGGITJRYZQG-UHFFFAOYSA-N 360.417 4.396 0 1 FIAF COCCn1c(-c2ccccc2)nc2c(NC3CCCCCC3)ncnc21 82187403 GDMGNCLQGUJQNS-UHFFFAOYSA-N 365.481 4.274 0 1 FIAF O=C(O)COc1ccccc1COc1ccc(Cl)cc1-c1ccno1 84671129 KJSRKLNFUKRZNP-UHFFFAOYSA-N 359.765 4.037 0 1 FIAF COc1ccc(-c2n/c(=N\Cc3cccnc3)sn2-c2ccccc2)cc1 101506401 OUGVGDCSBOPMFR-XTQSDGFTSA-N 374.469 4.105 0 1 FIAF OCCCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144790442 ZEXPLUXIHVMPOG-SFHVURJKSA-N 352.352 4.007 0 1 FIAF Cc1cc(O)c(-c2ccc([C@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12 149515563 ZCOUKRXDKXZBIW-NSHDSACASA-N 350.443 4.444 0 1 FIAF COc1ccc(-c2csc3c(=O)n(-c4ccc(OC)cc4)cnc23)cc1 221174461 CXWWNGQWUFXARK-UHFFFAOYSA-N 364.426 4.131 0 1 FIAF CSc1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2c1 586951029 QWROHXXWFXSIHI-UHFFFAOYSA-N 361.492 4.102 0 1 FIAF Cc1ccc(-c2nnc(SCc3nc4cc(C)c(F)cc4[nH]3)n2C)cc1 586965807 RLHDLZGYMAXADW-UHFFFAOYSA-N 367.453 4.407 0 1 FIAF O=C(O)c1cccnc1SCc1nc2cc(Cl)c(Cl)cc2[nH]1 586966951 NHNFLIKYQBTAGI-UHFFFAOYSA-N 354.218 4.255 0 1 FIAF Fc1cnc(Cl)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 587007157 MXVXRSZWSODVTD-UHFFFAOYSA-N 366.581 4.056 0 1 FIAF CCOC(=O)Cc1ccc2nc(-c3sc([C@H](C)OCC)nc3C)[nH]c2c1 587015160 YZALNXOUBKRGLL-LBPRGKRZSA-N 373.478 4.198 0 1 FIAF Oc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1 587017734 ONIFNSGBZASKOS-UHFFFAOYSA-N 359.414 4.106 0 1 FIAF Cc1cc(Br)cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 587044350 UBZCFDWQEVQEBS-UHFFFAOYSA-N 374.263 4.345 0 1 FIAF Cc1nn(-c2cccc(-c3nc4ccc(C(=O)O)cc4[nH]3)c2)c(C)c1Cl 587065289 NJTRQUUDFASRIF-UHFFFAOYSA-N 366.808 4.384 0 1 FIAF Cc1cc(Cl)ccc1OCCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 587066918 ULRHFVPJIYJASH-UHFFFAOYSA-N 356.813 4.118 0 1 FIAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2nc(Cl)c[nH]c-2n1 587076040 HPPFJFGIXBFQDZ-UHFFFAOYSA-N 358.188 4.046 0 1 FIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(F)cnc(Cl)c2[nH]1 587079220 HOIOWWHTKCKIGX-LLVKDONJSA-N 364.211 4.128 0 1 FIAF COc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1F 587137696 GWDXVEQCEPMFQX-UHFFFAOYSA-N 357.129 4.418 0 1 FIAF Cc1cc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2c(C)n1 587222437 KYPBALPTWBTDQO-FQEVSTJZSA-N 356.429 4.094 0 1 FIAF Nc1ccc2oc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cc2c1 587252790 MTEULPYOXGGYFT-UHFFFAOYSA-N 355.401 4.390 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1csc(Br)c1)[C@@H](C2)C3=O 587452870 PXIMNJSSPKBXKH-BONVTDFDSA-N 351.221 4.008 0 1 FIAF CN(C)C(=O)Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510173 FVPNRMZDVFAIFS-FQEVSTJZSA-N 365.429 4.332 0 1 FIAF COc1c(F)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555889 HPGNGZNADYYPEZ-LAUBAEHRSA-N 366.344 4.243 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccnc1F 587566628 AAOOPOIFMAABKU-QAPCUYQASA-N 371.751 4.283 0 1 FIAF CCCCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576534 JHYOULXKXYBNSM-FXAWDEMLSA-N 364.401 4.092 0 1 FIAF CC(C)(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]n1 587593923 JLCTXWIGBFDNOH-PXNSSMCTSA-N 364.401 4.116 0 1 FIAF Cc1c(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)cnn1C 587628415 KITGHIBYHWAAQH-UHFFFAOYSA-N 359.710 4.414 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccnc2Cl)N1 587714668 AYRLQXDWLVGOKQ-WJWGPLDTSA-N 373.628 4.399 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(F)c2F)N1 587719805 LYDGEQZKCYGDMG-HYORBCNSSA-N 372.184 4.196 0 1 FIAF Cc1nc(F)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587737263 DMYUMEJLEUJXNY-ZKANADHPSA-N 353.210 4.054 0 1 FIAF Cc1cc(N)cc(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587742923 BPHDSEOHXONWGN-ZMZPIMSZSA-N 363.274 4.411 0 1 FIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587932825 ZQMDRPPBLVUOPY-ZMZPIMSZSA-N 358.344 4.338 0 1 FIAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)nc3[nH]1)CC2 587937772 NNCQSLDWYDFCTB-NSHDSACASA-N 358.239 4.002 0 1 FIAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccnc3C2=O)c(Cl)c1 653746609 GRCRIBYJRCZIOY-UHFFFAOYSA-N 367.792 4.049 0 1 FIAF Cc1cc([C@]2(c3cccc(F)c3)NCCc3ccc(O)cc32)ccc1F 963340788 IEGMODDHWXPZQX-QFIPXVFZSA-N 351.396 4.416 0 1 FIAF O=C1OC[C@H](Cc2ccccc2)[C@H]1Cc1cccc(OC(F)(F)F)c1 1772594329 VQJWBQVGDZKUKU-DOTOQJQBSA-N 350.336 4.160 0 1 FIAF C[C@]12CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]1CC[C@](C)(CC(=O)O)O2 2356499425 DIOJOCARQQZEDG-ABYZYQIESA-N 352.471 4.096 0 1 FIAF CCOC(=O)c1cc(C2=C(S)N(C[C@@H](C)CC)CC2)c(C(=O)CC)[nH]1 6412280 IXEMNEVJGLGXIY-LBPRGKRZSA-N 364.511 4.134 0 1 FIAF CC[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 6939988 HDZPTEBXHYWBOD-QGZVFWFLSA-N 366.440 4.207 0 1 FIAF CCN(CC)CCNc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O 13535968 KYEOZKUGBAEJRO-UHFFFAOYSA-N 366.440 4.293 0 1 FIAF Cc1noc(NS(=O)(=O)c2cccc3c(N(C)C(C)C)cccc23)c1C 13602338 DXCOFYZOPGIJTO-UHFFFAOYSA-N 373.478 4.090 0 1 FIAF CO/C(O)=C1/C(C)=NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1C(F)(F)F 26831593 YTMCTWONBYRCCU-DKXRRRNBSA-N 356.300 4.188 0 1 FIAF CCCc1c(F)c(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)CC3=O 29133192 YIYQMXYKTNTQLX-JTQLQIEISA-N 372.392 4.423 0 1 FIAF COc1ccc(-c2nn3c(-c4nc(C(C)C)cs4)nnc3s2)cc1 49109340 SEOQTLROISYJTB-UHFFFAOYSA-N 357.464 4.108 0 1 FIAF CCC1(CC)C[C@H](COC(=O)Nc2ccc(N3CCCCC3)cc2)OC1=O 103202842 NNXSNWTVWSFEKL-GOSISDBHSA-N 374.481 4.347 0 1 FIAF CCOP(=O)(COC(=O)COc1ccc(Cl)cc1Cl)OCC 103210607 UUPIDFNNLNENHZ-UHFFFAOYSA-N 371.153 4.139 0 1 FIAF CC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1c(F)cccc1F 224682654 XDZHGRSCNCMGSV-QGZVFWFLSA-N 371.387 4.245 0 1 FIAF Nc1cnc(-c2ccc(-c3ccc(Br)cc3F)cc2F)cn1 224809274 JYPHVICKENXDFQ-UHFFFAOYSA-N 362.177 4.434 0 1 FIAF CC(=O)O[C@H]1C/C(C)=C/[C@@H](O)C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 238776147 VUXOPRKKIFEKKX-ZNRLFCTCSA-N 364.526 4.015 0 1 FIAF COc1ccccc1[C@@]1(C)CCn2nc(COc3ccccc3)cc2C1=O 299838612 NDYXDJVELNSTTR-JOCHJYFZSA-N 362.429 4.015 0 1 FIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(F)c(F)c(F)c2[nH]1 586964306 XOCMQNWWDQUINV-VIFPVBQESA-N 354.357 4.028 0 1 FIAF COc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1F 587005545 ZIVIDQNBKWXJEA-UHFFFAOYSA-N 356.582 4.189 0 1 FIAF Cc1ccc(-c2nc(-c3nc4ccnc(Br)c4[nH]3)cs2)o1 587017134 SCOUDCCJAKGWFS-UHFFFAOYSA-N 361.224 4.412 0 1 FIAF COC(=O)c1cc(Cl)c2nc(-c3nc4ccc(OC)cc4s3)[nH]c2c1 587033923 ACJNKDNBNBBRAU-UHFFFAOYSA-N 373.821 4.288 0 1 FIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(CO)cc2[nH]1 587044737 QMAQOBLIIXMBSS-UHFFFAOYSA-N 353.205 4.046 0 1 FIAF Fc1cccc([C@H]2C[C@@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587161866 SAXRPNFXXGTLAS-BDAKNGLRSA-N 356.710 4.387 0 1 FIAF C[C@H](Oc1ccc(F)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587168955 OQCQBLIRFHSKFC-LURJTMIESA-N 360.698 4.256 0 1 FIAF O=C(N[C@H](c1ccccc1)c1nc2c(Cl)ccnc2[nH]1)c1ccccc1 587221909 WRFIKAZVJGCJGR-MRXNPFEDSA-N 362.820 4.131 0 1 FIAF COc1cc2c(cc1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)CC2(C)C 587404764 ZFSQBIDHFTZESX-QFIPXVFZSA-N 367.445 4.136 0 1 FIAF CSc1nc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)n1 587408688 DAVXUKOXPGDABV-JTQLQIEISA-N 370.261 4.102 0 1 FIAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCN(Cc3ccccc3)C1)CC2=O 587481870 YAKLMDSMBYDNSD-HTAPYJJXSA-N 365.473 4.201 0 1 FIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c2ccc(Cl)c1F 587506794 MDHRTFJAZWRGCS-FQEVSTJZSA-N 371.795 4.171 0 1 FIAF CCOC(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516531 XTTZHJORTXLKKB-JOCHJYFZSA-N 365.429 4.018 0 1 FIAF CCOC(=O)[C@@H]1C[C@@H](C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525047 PGKGDZWRAHBBFH-SDYXESRWSA-N 356.462 4.269 0 1 FIAF C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567802 CEHPQVAUSPVWPJ-RXVVDRJESA-N 350.345 4.408 0 1 FIAF CCCOc1cccc(Cc2nc3ccc(Br)c(O)c3[nH]2)c1 587569917 STXLYHOKUUSTDK-UHFFFAOYSA-N 361.239 4.411 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2F)N1 587730704 XRJSDCWLIHPHQM-ZKANADHPSA-N 354.194 4.057 0 1 FIAF CCn1cccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755744 QJPSFNVVFJTKBY-GTNSWQLSSA-N 351.263 4.207 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccncc32)N1 587777230 GCWZMYFIDUWAKS-BBATYDOGSA-N 361.258 4.097 0 1 FIAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587805446 FHQGQUDAPVXLEA-ZMZPIMSZSA-N 364.258 4.395 0 1 FIAF Cc1cccnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O 653634442 CXYRJLAOPDAFSS-HNNXBMFYSA-N 374.440 4.450 0 1 FIAF Cc1ccc([C@@]2(C)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)nc1 962631367 DULXZRSGXKDUNB-WIOPSUGQSA-N 369.512 4.400 0 1 FIAF CCOC(=O)[C@H]1C[C@]2(C=C1C)c1ccsc1CCN2Cc1ccco1 962708823 KDVOKCMLSRVEEJ-OXJNMPFZSA-N 357.475 4.124 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@]21CC(=O)C[C@@H](c2ccccc2)C1 963270896 RVOPLYJZZOOTPH-VFNWGFHPSA-N 355.865 4.226 0 1 FIAF Cc1ccoc1C(=O)Nc1cccc(-c2[nH]c3ccccc3c2C(N)=O)c1 1772577882 RVUIAFIZHNHJIV-UHFFFAOYSA-N 359.385 4.088 0 1 FIAF C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc2ccccc21 1772616237 GGXOUHDIKLIMQO-INIZCTEOSA-N 357.413 4.135 0 1 FIAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 1772631745 LARDLROWOYETKY-UHFFFAOYSA-N 353.805 4.061 0 1 FIAF COc1ccc(-c2noc([C@H](C)NCc3ccc(F)cc3)c2C(=O)O)cc1 2356440027 KHQJAWCTHKPREL-LBPRGKRZSA-N 370.380 4.038 0 1 FIAF CCCOc1ccc(C=C[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 2356700359 JFPQRIXQJCKOPU-QHCPKHFHSA-N 362.473 4.113 0 1 FIAF CC(=O)Nc1ccc(OCc2nnc(SCc3ccc(F)cc3)o2)cc1 2382244326 MWDXPTNVQOBUSK-UHFFFAOYSA-N 373.409 4.038 0 1 FIAF COc1cccc(CNc2nc3cc(C(C)=C(C)C)sc3c(=O)n2C)c1 61904957 SMZCEWXYBHITOK-UHFFFAOYSA-N 369.490 4.429 0 3 FIAF CCOC(=O)c1cc(C2=C(S)N(C[C@H](C)CC)CC2)c(C(=O)CC)[nH]1 1653954 IXEMNEVJGLGXIY-GFCCVEGCSA-N 364.511 4.134 0 1 FIAF CN1[C@H]2C[C@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1[C@@H](O)C2 13643525 IKLFPVAAXYPLEK-WHZJULEDSA-N 357.881 4.042 0 1 FIAF C=C[C@](C)(O)CC[C@]1(C)C2=C([C@H](O)[C@H](OC(C)=O)[C@@H]1C)C(C)(C)CCC2 15266500 XKQBKQUOQCQQBX-XSZZKUPPSA-N 364.526 4.159 0 1 FIAF biogenic Cc1noc2c1[C@@H](c1ccc(N(C)C)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 17511633 CORQTGWNVYPLKB-MOPGFXCFSA-N 351.450 4.272 0 1 FIAF COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccccc1C(F)(F)F 64513778 SPPXUWYEKLVIIR-CMDGGOBGSA-N 367.279 4.181 0 1 FIAF COc1ccc(CNC2CCC3(CC2)O[C@@H](OC)Cc2ccccc23)cc1 71340958 DNIJYSZGAWKCFH-RUDSSYLZSA-N 367.489 4.168 0 1 FIAF C[C@H](NC(=O)Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)c1ccccc1 95591503 MIWZYZZIWMTBTD-ZDUSSCGKSA-N 374.404 4.028 0 1 FIAF c1cc[n+]2c(c1)[C@H]1c3c(ccc4c3OC4)[C@H]2CC1(c1ccoc1)c1ccoc1 100722066 XTXWJAYXBFETRL-IRLDBZIGSA-N 368.412 4.477 0 1 FIAF O[C@@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(Cl)cc12 169334690 IRZLLAIFHYKOPG-ABAIWWIYSA-N 358.791 4.473 0 1 FIAF CC[C@H]1[C@H]2CCCCn3c([C@H]4C[C@@H](C)C(=O)O4)cc(c32)[C@@H]2[C@H](C)C(=O)O[C@@H]21 238787179 RFGMIDHPFYCJDM-LTLXPZBGSA-N 371.477 4.065 0 1 FIAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)C1 299845590 KKKDKPNLCGIUKS-IERDGZPVSA-N 367.468 4.141 0 1 FIAF COC(=O)c1ccnc2[nH]c(-c3cc(C(C)C)cc(C(C)C)c3O)nc12 586897086 XBZPPZDAFQAHLO-UHFFFAOYSA-N 353.422 4.364 0 1 FIAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587028568 SCUQOCJEUIITHL-UHFFFAOYSA-N 360.345 4.311 0 1 FIAF Oc1ncnc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159844 VUYLJQLXIJVRIP-OAHLLOKOSA-N 370.771 4.019 0 1 FIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cn1 587246547 BYWLBJNTGQUTLK-UHFFFAOYSA-N 364.236 4.311 0 1 FIAF CC[C@]1([C@H]2CCCNC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346324 MAFFDIQSGVMMDA-GJULWVSJSA-N 369.436 4.039 0 1 FIAF CO[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357104 SOFXXUNJESCSNM-SBHAEUEKSA-N 356.393 4.218 0 1 FIAF CCOC(=O)[C@H](CC)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587400082 MZXIXNJXMJGQPA-JTSKRJEESA-N 367.445 4.027 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(Br)ccc41)[C@@H](C2)C3=O 587419055 RROLPRFRPWYPKI-HNAYVOBHSA-N 371.230 4.047 0 1 FIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)NC1CCCCCC1)CC2=O 587472222 ZKHJLOPICZMUHR-QFIPXVFZSA-N 373.493 4.298 0 1 FIAF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@@H]1C(=O)OCC)CC2=O 587482611 UQCKDBGHMFJFDF-IERDGZPVSA-N 360.450 4.192 0 1 FIAF COCCc1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531449 KHMROUBQYLQAPS-OAQYLSRUSA-N 371.502 4.400 0 1 FIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2F)N1 587723335 WZNJVBDUYHJPOA-ZKANADHPSA-N 356.185 4.490 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cnc2Cl)N1 587737321 ZHESPJHFRHIOBD-NXSYQRQQSA-N 373.628 4.399 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(OC(C)(C)C)C2)N1 587808559 GVPAAGUZALKDEP-MMODKWEGSA-N 356.279 4.295 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](C3CC3)C2)N1 587819685 WMYZFFNNEVBXKA-ZEWFUEFWSA-N 366.274 4.097 0 1 FIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(C)(C)C)(C(=O)O)N1 587827962 MOEWDQLINXTLTP-QGHHPUGFSA-N 372.278 4.229 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(O)cc32)N1 587830906 FTMIUDWOZOHBKB-XTZNXHDOSA-N 362.242 4.018 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC2CCOCC2)N1 587831867 AJGZBHZAFBFDQS-APPDUMDISA-N 356.279 4.154 0 1 FIAF COc1ccc2c(c1OC)[C@@H](c1cnc(C(F)(F)F)s1)N(C)[C@H](C)C2 962571057 ONPXDLIAFWXVBP-YMTOWFKASA-N 372.412 4.145 0 1 FIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(Br)c(O)c1 963259978 VLTCYORZMOPDIP-MRXNPFEDSA-N 368.658 4.052 0 1 FIAF COc1ccc(F)c(F)c1[C@@H]1c2cccc(Br)c2CCN1C 963269273 HLQCWKXIEBMUFK-KRWDZBQOSA-N 368.221 4.313 0 1 FIAF Cc1nc(C(=O)Nc2ccccc2)cc(N(C)Cc2ccc(Cl)cc2)n1 1857628082 IGEGCRBIEVEQFW-UHFFFAOYSA-N 366.852 4.327 0 1 FIAF CC1=CCC2=C(C)[C@](O)(C(C)C)C[C@@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 2356500886 FSOJCBVIWZXKTJ-JAXLGGSGSA-N 356.462 4.381 0 1 FIAF COc1cccc(NC(=O)Nc2nc3ncccn3c2-c2ccc(C)cc2)c1 203466267 YISPNKSFHMHEJA-UHFFFAOYSA-N 373.416 4.357 0 3 FIAF O=C1Nc2ccc(F)c3c(SC[C@@H]4CCCN4)cc(-c4ccc[nH]4)c1c23 12354983 DNXLFICBXNMUNW-NSHDSACASA-N 367.449 4.384 0 1 FIAF COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC 26670276 ILLZECXCYSSNDW-QGZVFWFLSA-N 356.853 4.268 0 1 FIAF CCc1ccccc1OC[C@@H](O)CNC(C)(C)Cc1c[nH]c2ccccc12 26724666 ZYGIUZZCBZMDTI-IBGZPJMESA-N 366.505 4.081 0 1 FIAF Clc1ccc(C(c2ccc(Cl)cc2)(c2nc[nH]n2)n2ccnc2)cc1 27428094 VICKHMSBPCKYMP-UHFFFAOYSA-N 370.243 4.148 0 1 FIAF Brc1ccc(Oc2cncc3sc(-c4nnn[nH]4)cc23)cc1 40428966 XCHVJAAZPCJJBD-UHFFFAOYSA-N 374.223 4.031 0 1 FIAF C[C@@H]1CNc2c(sc3ccc4nc(-c5cccnc5)ccc4c23)C(=O)N1 43119914 TYUFCPFOZWXAQL-LLVKDONJSA-N 360.442 4.055 0 1 FIAF CCC(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 64539679 SENALBWTNSROLJ-UHFFFAOYSA-N 367.449 4.001 0 1 FIAF CC(=O)OC/C(=C/CO)[C@H]1C[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 85698548 FGEVYIKISBOJQP-QXERSGTOSA-N 364.526 4.258 0 1 FIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)ccn1 96273267 GDJUXJPRTHOKJJ-CQSZACIVSA-N 372.432 4.211 0 1 FIAF c1cncc(C2(c3cccnc3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1 100729167 ASTUUCYWCUWLKQ-DNQXCXABSA-N 362.456 4.189 0 1 FIAF COc1ccc(OC)c([C@@H]2CC(c3ccncc3)=NN2c2ccccc2)c1 103201312 YHHKHVVDHFIVKL-NRFANRHFSA-N 359.429 4.455 0 1 FIAF CCc1ccc([C@H](C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 114996812 WTEFMFHLHIXCDB-KRWDZBQOSA-N 373.504 4.478 0 1 FIAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(Cl)cc1 116232290 PWGUMJNASSFPEW-UHFFFAOYSA-N 355.825 4.493 0 1 FIAF CC[C@H](C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)[C@@H](C)O)cc1 145363903 LCBZOXVLGQUABM-AYMMHLMVSA-N 369.505 4.453 0 1 FIAF CC[C@@H](C(=O)N[C@@H]1COc2ncccc21)c1ccc(Cl)cc1Cl 146698016 NUGDKPBRJBUNTN-IAQYHMDHSA-N 351.233 4.132 0 1 FIAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCCc2ncsc21 220891839 AEOVLTONKPMGPS-LLVKDONJSA-N 355.290 4.495 0 1 FIAF C[C@@](O)(c1cccc(OCc2ccccc2)c1)c1ncnc2ccccc12 299858568 DUVPMXNFUWEQFX-HSZRJFAPSA-N 356.425 4.465 0 1 FIAF CCN(CC)c1cc2c(cc1NC(C)=O)NC(=O)/C2=C\c1cccs1 473105289 RPOURSKJONJAOT-DHDCSXOGSA-N 355.463 4.045 0 1 FIAF N=c1[nH][nH]c2cccc(-c3cccc(NC(=O)Nc4cccc(F)c4)c3)c12 473149628 JMWVJGHSDXJZGB-UHFFFAOYSA-N 361.380 4.426 0 1 FIAF FC(F)(F)c1nc(Cl)[nH]c2nc(CNc3ccccc3Cl)nc1-2 587061312 DHSLPXYPOCORIJ-UHFFFAOYSA-N 362.142 4.242 0 1 FIAF COc1cnc(-c2nc3cc(Br)c(C)cc3[nH]2)cc1Cl 587064736 OWZAUTGCYGVVRV-UHFFFAOYSA-N 352.619 4.358 0 1 FIAF O=C(O)Cc1c(-c2ccncc2)nc2cccc3c2c1-c1ccccc1C3=O 587105477 AFBUUYZXUMREDI-UHFFFAOYSA-N 366.376 4.135 0 1 FIAF O=C1COc2cc3[nH]c(-c4cccc(Nc5ccc(O)cc5)c4)nc3cc2N1 587242741 QNJYRLCIQHXGAU-UHFFFAOYSA-N 372.384 4.010 0 1 FIAF Cc1cc(Br)c2[nH]c(-c3cc(=N)[nH]c4ccccc34)nc2c1 587253416 HMXSORSDFUDURK-UHFFFAOYSA-N 353.223 4.262 0 1 FIAF Cc1ccc([C@@]2(Cc3ccncc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587395378 QMTUJKOZMASKJC-HSZRJFAPSA-N 358.441 4.384 0 1 FIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)nc1C)[C@@H](C2)C3=O 587422781 QQJBOMOJXBNBPM-SCLBCKFNSA-N 363.335 4.080 0 1 FIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4cc(N)ccc41)[C@@H](C2)C3=O 587433737 VKQAZWCLUVWJIL-GAJHUEQPSA-N 371.392 4.074 0 1 FIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccnc(OC)c1)[C@@H](C2)C3=O 587437237 YOMPMDYVYKQHID-MBSDFSHPSA-N 373.408 4.255 0 1 FIAF CC[C@@]1(C)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2O1 587452097 DCZZFBGHEXDWRY-URZJWIJPSA-N 350.414 4.289 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3ccc(Cl)cc31)CC2=O 587463892 ZPWSAAFGXBDASH-FQEVSTJZSA-N 372.804 4.168 0 1 FIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(OC)cc(C)cc31)CC2=O 587483250 FBTFFXSVJIAVSH-JOCHJYFZSA-N 368.429 4.305 0 1 FIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cccc(Cl)c12 587496232 AIOAHJGJTNHHQO-FQEVSTJZSA-N 353.805 4.032 0 1 FIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(O)c1F 587555708 HMRSHISMMAQAKM-OXQOHEQNSA-N 370.307 4.079 0 1 FIAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C)c1C 587748955 CCGILKKNOJXYMX-YYSFKGJASA-N 365.290 4.476 0 1 FIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cnn(C)c3c2)N1 587760364 PJGYGBRSHQPESS-MGNBDDOMSA-N 374.257 4.099 0 1 FIAF COc1cccc(C)c1-c1nc2ccc(I)cc2[nH]1 587785534 CFTZJELAWVHMDV-UHFFFAOYSA-N 364.186 4.152 0 1 FIAF COc1ccc(C[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587809016 PINNXRAWLICXSJ-BBATYDOGSA-N 364.258 4.415 0 1 FIAF CC(=O)CC[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587815113 YNZORHPIMRTJFT-PIGZYNQJSA-N 356.279 4.343 0 1 FIAF O=C(O)c1c(NC(=S)Nc2ccc(F)c(F)c2)sc2c1CCCC2 653721731 GPIGFACOBUULDJ-UHFFFAOYSA-N 368.430 4.412 0 1 FIAF CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@@H]1NCCc2cc(C)c(F)cc21 962091198 JRNIOFOVZBIDJM-UYHISHBKSA-N 350.478 4.260 0 1 FIAF CC1(C)CN[C@@]2(CC(=O)C[C@H](c3ccccc3)C2)c2cc3c(cc21)OCO3 963390867 NVAXFPXSTJXYIX-HJPURHCSSA-N 363.457 4.028 0 1 FIAF CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C=C(C)C[C@H](C)[C@H]1OC(=O)[C@H]1CC 2356551196 UNBMQQNYLCPCHS-GPDUBVANSA-N 352.515 4.159 0 1 FIAF COC(=O)CC=C1CC2=CC[C@]3(C)C(=O)CC[C@]3(C)[C@@H]2CC[C@H]1C(C)(C)O 2356678715 QHOOFRIKIADFKW-DPZOUVDISA-N 374.521 4.369 0 1 FIAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)cs2)CC1 61902775 YCOQBJWPJYVZPP-MRXNPFEDSA-N 357.475 4.221 0 3 FIAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccccc1 61923686 ROECTXSVAJVSEX-FSSWDIPSSA-N 368.525 4.085 0 3 FIAF CCOc1cccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 1486150 JIQLFJFMURQOMY-LIRRHRJNSA-N 372.896 4.474 0 1 FIAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccsc1 4153224 UTSSYCQZRJYRIV-IEBWSBKVSA-N 372.490 4.155 0 1 FIAF CCCN(C(=O)Cn1ncc2c1-c1ccccc1OC2)c1cccc(C)c1 5055178 AIRKOJYVNQEOSB-UHFFFAOYSA-N 361.445 4.194 0 1 FIAF O=C1Cc2ccccc2N1C1CCN([C@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 13561283 IFUDRLSXETXJHT-OPYAIIAOSA-N 352.522 4.399 0 1 FIAF CO[C@@H]1OC(=O)[C@@H]2CCC([C@@]3(C)CCCC(C)(C)C3)=C([C@@H](C)C(=O)O)[C@H]12 14677478 FKJMFFZJNWGYKI-ZEFAKGJLSA-N 364.482 4.166 0 1 FIAF CC(C)=CCC[C@](C)(O)CCc1c(O)cc(O)c(C(=O)C(C)C)c1O 15120710 DJILNHQPAHLEMJ-FQEVSTJZSA-N 350.455 4.072 0 1 FIAF biogenic CCCC[C@@](C)(O)C1=CC[C@@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@H]3C1 27711487 LJTJQLDGHOLLEZ-UEQSERJNSA-N 369.549 4.471 0 1 FIAF Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)ccc(F)c2F)cc1 28382781 FLXYEGPJLCNQPX-UHFFFAOYSA-N 359.397 4.255 0 1 FIAF CCCc1sc2nc(SC)n(-c3ccc(OC)cc3)c(=O)c2c1C 28948964 GNHNWQULOZZUNM-UHFFFAOYSA-N 360.504 4.439 0 1 FIAF Cc1ccc2c([C@@H]3Cc4ccccc4N3C(=O)/C=C\C(=O)O)c(C)[nH]c2c1 31829934 ICPQBEJQAPCPHR-VJIACCKLSA-N 360.413 4.056 0 1 FIAF CCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1 64540824 YVLBMQDIFJGHDV-UHFFFAOYSA-N 357.409 4.482 0 1 FIAF Cc1cccc(-c2nc(NCC3CC3)ncc2C(=O)N(C)CC(C)C)c1 82145154 DVXCVFZWLCEUPZ-UHFFFAOYSA-N 352.482 4.002 0 1 FIAF COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2F)n1 82176109 SQDPZOLHMOZBBI-UHFFFAOYSA-N 358.442 4.081 0 1 FIAF Brc1ccc(CSc2nnc(-c3cnccn3)s2)cc1 95574315 OFUOUGGBZCTDJN-UHFFFAOYSA-N 365.281 4.050 0 1 FIAF Cc1ccccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1 96168793 PCRQCDLHPNRWJB-UHFFFAOYSA-N 368.440 4.268 0 1 FIAF CC[C@@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@H]2CC[C@H](C1)N2C 102906764 HRZJJXGXZVSRIB-CKEIUWERSA-N 353.915 4.379 0 1 FIAF O=C1C[C@@H]2S[C@](COCc3ccccc3)(CCN2Cc2ccccc2)C1 102937235 PKUIUVYDOOWWBW-FCHUYYIVSA-N 367.514 4.270 0 1 FIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccccc3OC)cc2)C[C@@H]2CC[C@@H]1N2C 169369302 CCWOTPZOCKHRAQ-ZJDLJICXSA-N 365.473 4.102 0 1 FIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccccc2)s1 169371630 KMHHAGQMYNMKGL-RHBWCTSJSA-N 365.498 4.454 0 1 FIAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CCc2ncsc21 220851185 LWMHJXDCGBUTDC-SECBINFHSA-N 360.788 4.162 0 1 FIAF OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]2[C@@H]2CC[C@@H]12 261518036 GJFCEMOCWVYDKT-AYLSLSSXSA-N 364.570 4.405 0 1 FIAF in-vitro CCCCC[C@H](O)/C=C\[C@H]1[C@@H](C/C=C/CCCC(=O)O)[C@@H]2CO[C@@H]1C2 306146656 LQANGKSBLPMBTJ-UUVYPKAESA-N 350.499 4.336 0 1 FIAF in-vitro O=C1O/C(=C\c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc21 586907732 WDLMDMAKYDWJGG-GHXNOFRVSA-N 359.154 4.133 0 1 FIAF CC(C)(SCC(=O)O)c1nc2cccc(OCc3ccccc3)c2[nH]1 586960746 ZTCPVKZWCHIGMY-UHFFFAOYSA-N 356.447 4.195 0 1 FIAF Cc1c(-c2c[nH]c(C(=O)O)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989241 CCPVLPRXYBJKDE-UHFFFAOYSA-N 370.364 4.154 0 1 FIAF Cc1ccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1C(F)(F)F 587095918 ZFWXJBYOLDPQID-UHFFFAOYSA-N 359.351 4.366 0 1 FIAF COc1nccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587159440 PXOFKIXGTQVWFY-UHFFFAOYSA-N 359.364 4.112 0 1 FIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cccc(Br)c3[nH]2)cn1 587247694 QYXHLFLPHRXKNQ-UHFFFAOYSA-N 373.254 4.372 0 1 FIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(Cl)cn1)O2 587379892 MFUTVEWYCDOVPY-KRWDZBQOSA-N 353.809 4.123 0 1 FIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ncc[nH]1)CC2=O 587465881 HTWFJWKPONYABR-NRFANRHFSA-N 366.392 4.116 0 1 FIAF Cn1ccnc1[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587529724 BJNDLICHTZIWJA-OAQYLSRUSA-N 364.470 4.269 0 1 FIAF CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1cccn1 587623185 NIRLGKWFIGOSSD-UHFFFAOYSA-N 358.243 4.290 0 1 FIAF CCCCCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660877 ICNDOZFRMPWCKW-UHFFFAOYSA-N 369.465 4.115 0 1 FIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(cnn3C)c2)N1 587757234 GKQJQDQHLDLTEL-XTZNXHDOSA-N 374.257 4.099 0 1 FIAF COCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587801696 MZXJHJAINVXBNM-ADLMAVQZSA-N 364.258 4.358 0 1 FIAF CCC(=O)CC[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587814203 RURDVLHLTHFVLU-PIGZYNQJSA-N 356.279 4.487 0 1 FIAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587824341 ZTDBCAFGMGYPHF-VOJFVSQTSA-N 364.258 4.400 0 1 FIAF Cc1cc(O)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587835506 XOLICIDYJMRHAV-ZMZPIMSZSA-N 364.258 4.400 0 1 FIAF Cc1nc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc1C 587855567 WQVANNJTVFSZLD-BCTVWOGZSA-N 369.303 4.459 0 1 FIAF Cc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1Cl 962960412 GBLALBLSSGVYHX-CZUORRHYSA-N 372.198 4.268 0 1 FIAF CC1(C)CN[C@]2(CC(=O)C[C@@H](c3ccccc3)C2)c2cc3c(cc21)OCO3 963390870 NVAXFPXSTJXYIX-WAIKUNEKSA-N 363.457 4.028 0 1 FIAF CCCCCC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)N(C)C 2356311278 BBJRTSLPWQUASB-NHCUHLMSSA-N 363.542 4.162 0 1 FIAF C[C@@H](O)C=CCC=CC[C@@H](O)C=CC=CCC=CCC=CCCC(=O)O 2356389060 FRJZMMUVPROLHN-RTWAWAEBSA-N 360.494 4.491 0 1 FIAF O=C(Nc1cccnc1SC[C@@H]1CCCN2CCCC[C@@H]12)c1ccco1 2356472270 PQVKSRSLFUSRQV-RDJZCZTQSA-N 371.506 4.284 0 1 FIAF O=C(NCc1ccccc1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61904289 LMELAXFPQWZKNU-LJQANCHMSA-N 364.832 4.022 0 3 FIAF CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)O1 95598750 KTAIDOJORCYDTH-SWLSCSKDSA-N 350.871 4.307 0 3 FIAF