smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)c1cccc2c1OCCO2 218341992 COUPVWXJYHAGOA-IBGZPJMESA-N 364.376 3.511 70 50 FHIA O=C(CSc1ccncc1)NC[C@H](c1ccccc1)N1CCCCC1 217429165 SGZKORKGVMBXLZ-LJQANCHMSA-N 355.507 3.517 70 50 FHIA CC(C)Oc1cncc(C(=O)N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)c1 159972050 ZYPGPRORDZYJPT-AUUYWEPGSA-N 358.413 3.610 70 50 FHIA Cc1nc(CN(C)C(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cs1 217733844 AWAPSWBMUNBFKI-HXUWFJFHSA-N 374.506 3.825 70 50 FHIA COc1ccc(N(C)C(=O)CCc2cnn(-c3ccccc3)c2)cc1F 159398298 JXUAKEAWQRYFJM-UHFFFAOYSA-N 353.397 3.616 70 50 FHIA CCSc1ccccc1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385637 XXBGXYJFVUHMDK-UHFFFAOYSA-N 355.412 3.644 70 50 FHIA COc1cc(C)sc1C(=O)N[C@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1 218607386 XOIZQOGFXSKQPJ-PKWAYOAASA-N 367.417 3.585 70 50 FHIA O=C(Cc1ccc(F)c(F)c1)NC[C@H](c1ccccc1)N1CCCCC1 217075224 ANJMYRZWRXQDNH-HXUWFJFHSA-N 358.432 3.851 70 50 FHIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1c[nH]nc1-c1ccc(Cl)cc1 217830097 NRDGTPOHGOVPBK-MAUKXSAKSA-N 372.900 3.724 70 50 FHIA biogenic O=C(c1ccc(OCc2noc(C3CCCCC3)n2)cc1)N1CCCC1 160832801 LBIKUPISFXKESA-UHFFFAOYSA-N 355.438 3.932 70 50 FHIA Cc1cccc2cc(C(=O)N3C[C@H]4CC[C@@H](C3)N(CC3CCC3)C4)n(C)c12 216751053 APFHZUWRZDWXIV-ICSRJNTNSA-N 365.521 3.823 70 50 FHIA COc1ccc(CC(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)cc1 218347488 SCERMPJHZVJSAD-FQEVSTJZSA-N 351.450 3.638 70 50 FHIA COc1ccccc1C1CCN(C(=O)c2ccc(SCCO)cc2)CC1 218681514 ASWRLMFTWPVIMT-UHFFFAOYSA-N 371.502 3.799 70 50 FHIA Cc1n[nH]c(C)c1CCNC(=O)c1cc(N2CCCCC2)ccc1Cl 217131370 PSOZHGLRQKQOQC-UHFFFAOYSA-N 360.889 3.643 70 50 FHIA C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382588 IBKKUJVXJCNNMH-NSHDSACASA-N 370.377 3.644 70 50 FHIA Cc1nc([C@@H](C)NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c(C)s1 218311731 YTPRRLKGVRRQBM-CYBMUJFWSA-N 368.506 3.982 70 50 FHIA CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N[C@@H]1CCOC(C)(C)C1 159864641 FJFQDOLXBBXULG-QGZVFWFLSA-N 370.497 3.753 70 50 FHIA Cc1cn2c(CCC(=O)Nc3cc(C(F)(F)F)ccc3O)csc2n1 159669592 TUHQEWMQDMQJMR-UHFFFAOYSA-N 369.368 4.000 70 50 FHIA COc1cc(Cl)cc(CN2CCC(O)(c3ccccc3)CC2)c1OC 218777151 FDQHYJTVTQUNIU-UHFFFAOYSA-N 361.869 3.841 70 50 FHIA O=C(c1csc([C@H]2CCCO2)n1)N1CCC[C@@H](Nc2ccccc2)C1 160318955 AIXNXWCVLRTBQO-NVXWUHKLSA-N 357.479 3.711 70 50 FHIA Cc1cc2c(SCC(=O)N[C@H](C)c3csc(C)n3)ncnc2s1 217179491 WQSWVUPURYNKBA-SECBINFHSA-N 364.521 3.734 70 50 FHIA CC(C)c1nc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)n[nH]1 218449646 ATYPFBRIIXJYLT-UHFFFAOYSA-N 374.400 3.954 70 50 FHIA Cc1cc(CN(C)Cc2noc(C)n2)c(C)c(CN2CCC[C@@H](C)C2)c1 217191343 ZQICCZCQZKJGSA-OAHLLOKOSA-N 356.514 3.859 70 50 FHIA CCC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)Oc3cc(C)ccc32)c1 160068722 WGXVWXPHHDGBGF-AWEZNQCLSA-N 359.447 3.564 70 50 FHIA Cn1cc(C2CCN([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cn1 160443363 NJGXMDUFRPFSSM-QFIPXVFZSA-N 374.488 3.980 70 50 FHIA COCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)o1 161338162 XAYFCGFHQHOLAM-PXNSSMCTSA-N 355.434 3.710 70 50 FHIA CC[C@]1(C(N)=O)CCCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1 216967874 UBDMTQINFVQMSP-NRFANRHFSA-N 354.425 3.610 70 50 FHIA COc1ccccc1[C@H]1CCCN1C(=O)CCC(=O)N1CCCCCC1 217212153 LEVCALKBLDPPML-GOSISDBHSA-N 358.482 3.542 70 50 FHIA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCCC[C@@H]1c1ccccn1 217617706 BLQMAMGAQKOHQP-QGZVFWFLSA-N 372.852 3.803 70 50 FHIA COc1cccc([C@H]2CCCCN2C(=O)CCN2CCCCCC2=O)c1 218729530 NIZKEKQIOALNKN-LJQANCHMSA-N 358.482 3.542 70 50 FHIA O=C([C@H]1Cc2cc(Cl)ccc2N1)N1CCC(Oc2ccccc2F)CC1 217449014 HVMTYHGQYNQBCZ-GOSISDBHSA-N 374.843 3.886 70 50 FHIA CCCOc1ccc(NC(=O)N2CCC[C@H]2c2nncn2C)cc1Cl 159637904 SAMSADQSODRSDM-AWEZNQCLSA-N 363.849 3.626 70 50 FHIA Cc1cc2c(SCC(=O)N[C@@H](C)c3csc(C)n3)ncnc2s1 217179484 WQSWVUPURYNKBA-VIFPVBQESA-N 364.521 3.734 70 50 FHIA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)C1(c3ccc(Cl)cc3)CCCCC1)C2 218154090 KDJFSHDUTMARMM-QAPCUYQASA-N 374.912 3.669 70 50 FHIA Cc1cc(C)n(CCC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccnc2)n1 218123181 FIZVWGNSQQUWPZ-FQEVSTJZSA-N 368.868 3.844 70 50 FHIA CC(C)[C@H]1OCC[C@@H]1CNC1CCN(C(=O)c2ccccc2Cl)CC1 160778035 HSGBWZXVOVRVNL-DNVCBOLYSA-N 364.917 3.595 70 50 FHIA Cc1ccc2[nH]c(CCC(=O)NC[C@@H]3OCCc4ccccc43)nc2c1C 217140298 GDZYIJVHWJHDDR-IBGZPJMESA-N 363.461 3.543 70 50 FHIA O=C(c1nnc2n1CCCCC2)N1CCC[C@@H](c2ccc(Cl)cc2)C1 217186133 CBSCJVRJCZXILP-OAHLLOKOSA-N 358.873 3.678 70 50 FHIA Cc1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)c(F)c1F 218627575 FZWLBQMPCIEZHV-UHFFFAOYSA-N 358.432 3.710 70 50 FHIA CCCCN(Cc1ccc(OS(=O)(=O)F)cc1)Cc1ccccc1O 1875387421 HQRLEMOELHJFJM-UHFFFAOYSA-N 367.442 3.788 70 50 FHIA CC(C)(NC(=O)c1ccc(-c2ccccc2Cl)o1)c1nnc(N)s1 217535143 FVDXYGKALWOLTA-UHFFFAOYSA-N 362.842 3.699 70 50 FHIA CC1=CC[C@@H]2CN(C(=O)c3ccc4sc5c(c4c3)CCNC5=O)C[C@@H]2C1 218106159 DYYBXAROVTUBHP-CABCVRRESA-N 366.486 3.616 70 50 FHIA CCc1noc(CN(C)C(=O)c2ccc(OCc3ccccc3F)cc2)n1 218315743 ZQPNFHKYCZRUQM-UHFFFAOYSA-N 369.396 3.622 70 50 FHIA Cc1ccc2[nH]c(CCCNC(=O)Cc3ccc(N(C)C)cc3)nc2c1C 218012006 GLONWXIPBCPHII-UHFFFAOYSA-N 364.493 3.537 70 50 FHIA CC(=O)c1ccc2c(c1O)[C@H](c1ccc(OC(F)(F)F)cc1)CC(=O)O2 218427564 LLYPFGDLFYQODW-ZDUSSCGKSA-N 366.291 3.934 70 50 FHIA Cc1nc(-c2cccc(F)c2)sc1C(=O)Nc1n[nH]c(CC(C)C)n1 218563026 QDBRNTKVXJXTFO-UHFFFAOYSA-N 359.430 3.827 70 50 FHIA Cc1ccc(NC(=O)c2ncn(-c3ccccc3)n2)c(Br)c1 160390794 RTAAOLHJHMCSST-UHFFFAOYSA-N 357.211 3.591 70 50 FHIA COc1ccc(-c2sc(C)nc2C(=O)Nc2ccc(OC)nc2)cc1 218565979 VEZWKCAZFMOIPS-UHFFFAOYSA-N 355.419 3.783 70 50 FHIA CCCCc1nnc(NC(=O)N2CCO[C@]3(CCc4ccccc43)C2)s1 160079087 QVNNZPMRUAHIHH-LJQANCHMSA-N 372.494 3.587 70 50 FHIA O=C(c1cnc2c(Cl)cccc2c1O)N1CCO[C@@H](c2ccccc2)C1 218417063 OWUUORYSIRBCOU-QGZVFWFLSA-N 368.820 3.808 70 50 FHIA Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@H]3c1coc2ccccc2c1=O 217591724 WSECUAKZZZAVET-AWEZNQCLSA-N 374.348 3.649 70 50 FHIA biogenic CCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)Nc1ccc(F)cc1 95698142 LFXXGBFUWJYFQO-UHFFFAOYSA-N 372.805 3.796 70 50 FHIA COc1cccc(-c2ccc(C(=O)N(C)Cc3n[nH]c4c3CCC4)cc2)c1 218286369 NBZWHWPXGYOBKY-UHFFFAOYSA-N 361.445 3.846 70 50 FHIA O=C(CCc1cccc(O)c1)N1CCC[C@@H](COc2ccccc2F)C1 217210331 SLVNNXKJPPEOOU-QGZVFWFLSA-N 357.425 3.782 70 50 FHIA COc1cc2c(c(OC)c1OC)[C@@H](C1=Cc3ccccc3OC1)CC(=O)O2 218109697 PCDRVKVTHPHTSW-CQSZACIVSA-N 368.385 3.581 70 50 FHIA biogenic Cc1nc([C@H](C)NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c(C)s1 218311779 YTPRRLKGVRRQBM-ZDUSSCGKSA-N 368.506 3.982 70 50 FHIA COc1ccc(C2(C(=O)N[C@H](C)c3c(C)n[nH]c3C)CCCC2)cc1OC 217995130 KFZORPUHAOIGAW-CYBMUJFWSA-N 371.481 3.733 70 50 FHIA Cc1cc(C)c(Br)c(S(=O)(=O)Cl)c1Br 1775955976 DMBCMPMLRFKYET-UHFFFAOYSA-N 362.470 3.756 70 50 FHIA Cc1c(Br)cc(Br)c(C)c1S(=O)(=O)Cl 1775956388 UVDBISCJHRJSCW-UHFFFAOYSA-N 362.470 3.756 70 50 FHIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](C1CCCCC1)CC(=O)O2 218034133 COAPQCPAGSXLDS-ZDUSSCGKSA-N 370.401 3.983 70 50 FHIA biogenic NC[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 160143588 RODJRMMCCDPHHD-JTQLQIEISA-N 356.278 3.680 70 50 FHIA O=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cccc(OC(F)F)c1 218490147 ACUHSOZPPGNYDW-CQSZACIVSA-N 352.425 3.672 70 50 FHIA Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2)cc1NC(=O)C(C)(C)C 159528273 HIHLABPNGNPMLO-LJQANCHMSA-N 365.477 3.633 70 50 FHIA CC(C)(C)c1ccc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)cc1 1875368267 FDIMSWYNMQYZEW-UHFFFAOYSA-N 351.399 3.830 70 50 FHIA O=C(c1ccc(N2CCCC2)cc1)N(Cc1ccccn1)C[C@H]1CCCO1 218594677 CRFLBQHMNCLVBT-OAQYLSRUSA-N 365.477 3.503 70 50 FHIA Cn1nc(CN2CCCN(Cc3cccs3)CC2)c2c(Cl)cccc21 218637306 AWJCSIFQHNRSDF-UHFFFAOYSA-N 374.941 3.996 70 50 FHIA O=C(NCCc1ccccn1)c1cc(Br)ccc1-n1cccc1 218222699 FDIWTPDFVAMHHB-UHFFFAOYSA-N 370.250 3.607 70 50 FHIA CC(=O)Nc1ccc(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)cc1 218323680 GFCDQGOYGCTPKA-FQEVSTJZSA-N 363.392 3.699 70 50 FHIA Cn1cnnc1[C@@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl 161048016 KDDQIDMTILIYDB-LBPRGKRZSA-N 373.766 3.856 70 50 FHIA C[C@@H]1CSc2ccccc2N(C(=O)c2cnc(-c3ncccn3)s2)C1 159509392 ATOCEAARPJIDLC-LBPRGKRZSA-N 368.487 3.989 70 50 FHIA O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1)c1cccc(OC(F)F)c1 218526343 MQMZERGCCSFFQO-RDGPPVDQSA-N 373.399 3.664 70 50 FHIA CC(C)[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1nc2ccccc2n1C 218185241 AXFJEYOTRPTUEL-IBGZPJMESA-N 374.444 3.542 70 50 FHIA O=C1C[C@H](c2ccc(OC(F)(F)F)cc2)c2cc3c(cc2O1)OCO3 218316437 GNWKEFBQNQDISG-LLVKDONJSA-N 352.264 3.755 70 50 FHIA Clc1cc(Cl)cc(OCCN2CCO[C@@H](c3nccs3)C2)c1 160112856 YMRPOWTYLYCZSZ-CQSZACIVSA-N 359.278 3.902 70 50 FHIA O=C(c1ccc2c(c1)CCO2)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 217374990 NVJJOAOVYNAJAI-QGZVFWFLSA-N 351.381 3.614 70 50 FHIA CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC1=CCCOC1 160937298 XFGKTFMNNUYDGI-UHFFFAOYSA-N 362.779 3.576 70 50 FHIA Cc1ccccc1-c1cccc(C(=O)NCCCCCN2CCOCC2)c1 218310239 HFHPVRRTLMJQEO-UHFFFAOYSA-N 366.505 3.894 70 50 FHIA CC(C)(C)[C@H](CC(=O)Nc1ccc(OS(=O)(=O)F)cc1)C(F)F 1875388065 LSIGVXMQRLWFJI-LLVKDONJSA-N 353.362 3.536 70 50 FHIA COc1cc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)ccc1OC(C)C 217873014 ZRZHEQXZGGQZGS-ZDUSSCGKSA-N 356.374 3.652 70 50 FHIA biogenic CC(C)Oc1cncc(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 159972171 ZYPGPRORDZYJPT-IFXJQAMLSA-N 358.413 3.610 70 50 FHIA O=C(CCc1cccc(O)c1)N1CCC[C@H](COc2ccccc2F)C1 217210339 SLVNNXKJPPEOOU-KRWDZBQOSA-N 357.425 3.782 70 50 FHIA O=C(c1ccccc1OCCc1ccccc1)N1CCO[C@H](C2CC2)C1 218755843 KURMOKXCDZJSGS-NRFANRHFSA-N 351.446 3.559 70 50 FHIA Cc1cccc2c1ccn2CCNC(=O)C1(c2ccccc2)CCOCC1 218564320 WGIPCHUHYZVHFE-UHFFFAOYSA-N 362.473 3.814 70 50 FHIA CN(C[C@H]1CCCCN1C)C(=O)c1ccc(OCc2ccccc2F)cc1 217868627 XQCGIVRUJKXECH-LJQANCHMSA-N 370.468 3.961 70 50 FHIA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccc(CN2CCCCCC2)cc1 217487981 XDWIWECLKMFIAH-HNNXBMFYSA-N 354.498 3.894 70 50 FHIA CC(C)c1noc(C2CCN(C(=O)c3cc(-c4ccsc4)n[nH]3)CC2)n1 218261389 OICVFHJRURKODD-UHFFFAOYSA-N 371.466 3.664 70 50 FHIA O=C(NC1CCCCCC1)c1cc(=O)c(OCc2ccccc2F)co1 218348075 KQTJUGURDJPQQF-UHFFFAOYSA-N 359.397 3.811 70 50 FHIA CC(C)c1nccn1CCCNC(=O)Cc1ccccc1C(F)(F)F 218199041 CVUXZVWVNMYPPA-UHFFFAOYSA-N 353.388 3.774 70 50 FHIA O=C([C@@H]1Cc2cc(Cl)ccc2N1)N1CCC(Oc2ccccc2F)CC1 217448929 HVMTYHGQYNQBCZ-SFHVURJKSA-N 374.843 3.886 70 50 FHIA CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cccc(OCc2cccc(F)c2)c1 216857407 GSKHHCXOPLAHKT-XLIONFOSSA-N 368.452 3.571 70 50 FHIA COCCn1ccc2c(C(=O)NCCn3ccc4ccccc43)cccc21 218069573 YVMPDSRTRKJPBH-UHFFFAOYSA-N 361.445 3.672 70 50 FHIA biogenic Cc1cc(CN(C)C(=O)[C@H](C)Sc2cc(C)c3ccccc3n2)on1 217848563 VVWPDRUVWUTXLW-AWEZNQCLSA-N 355.463 3.979 70 50 FHIA O=C(CSc1ccncc1)NC[C@@H](c1ccccc1)N1CCCCC1 217429093 SGZKORKGVMBXLZ-IBGZPJMESA-N 355.507 3.517 70 50 FHIA CC1(C)C[C@H](NC(=O)Nc2ccn(CC(F)(F)F)n2)c2ccccc21 160399871 JQXBWGKXKGRNEM-ZDUSSCGKSA-N 352.360 3.990 70 50 FHIA O=C(NCc1cccnc1)c1sc(Br)nc1-c1ccccc1 218556502 PEXJIUGNJANDEB-UHFFFAOYSA-N 374.263 3.898 70 50 FHIA CCCOc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1nncn1C 159544842 NUSAMKUTTKQXEB-CQSZACIVSA-N 363.849 3.626 70 50 FHIA Cc1ncsc1CCNC(=O)c1ccc(CN2CCCCCC2)cc1 217000401 PSTJYARERQQMCO-UHFFFAOYSA-N 357.523 3.800 70 50 FHIA O=C(c1cnc(-c2cccs2)nc1)N1CCCC[C@H]1c1ccccn1 218343941 XZDMOUOCWYJREJ-INIZCTEOSA-N 350.447 3.968 70 50 FHIA Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCCCCC3)c(O)n2n1 218308358 TVXPZRNUPKUJHG-OAHLLOKOSA-N 360.458 3.909 70 50 FHIA Cc1ccc(Cl)c(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)c1 216943253 SJQWEFOKUIMGQW-CVEARBPZSA-N 360.885 3.512 70 50 FHIA COc1cccc2c1OCCCN(C(=O)c1ccc(N3CCCC3)cc1)C2 216933907 JKCJNHDXQDSHCV-UHFFFAOYSA-N 366.461 3.720 70 50 FHIA COCCn1ccc2ccc(C(=O)NCCn3ccc4ccccc43)cc21 218008848 FNDHGHUWIDXPGS-UHFFFAOYSA-N 361.445 3.672 70 50 FHIA biogenic O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCCC[C@H]1c1ccccn1 217617776 BLQMAMGAQKOHQP-KRWDZBQOSA-N 372.852 3.803 70 50 FHIA CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3o2)no1 218511493 OGKDXARCOJKOTC-OAHLLOKOSA-N 352.390 3.882 70 50 FHIA CC[C@H](C)[C@H](NC(=O)c1cc(-c2cccnc2)n[nH]1)c1nc2ccccc2[nH]1 218291017 GTAMDUNMVNGYOC-DJJJIMSYSA-N 374.448 3.865 70 50 FHIA Cc1nc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)cc(C2CC2)n1 160063430 YELKONHIZZPJRQ-UHFFFAOYSA-N 353.813 3.754 70 50 FHIA CCN(CC)Cc1cc(C(=O)N(C)Cc2ncc[nH]2)c(-c2ccccc2)o1 217043553 JBDCBNOMNOYJSJ-UHFFFAOYSA-N 366.465 3.784 70 50 FHIA Cn1cnc2cc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)cnc21 159688986 GOPPZZUFEXBPKF-UHFFFAOYSA-N 374.366 3.792 70 50 FHIA Cn1cnc2cc(C(=O)N(CCC(F)(F)F)C3CCCCC3)cnc21 160753364 BYMANRQAECJIJL-UHFFFAOYSA-N 354.376 3.696 70 50 FHIA O=C(CCc1cccnc1)N[C@H](c1ccncc1)c1ccc(Cl)cc1 218294611 JLKHOQLJVYJPKL-FQEVSTJZSA-N 351.837 3.968 70 50 FHIA OC1CC(c2cc(N[C@@H](c3ccccc3)[C@H](O)c3ccccc3)ncn2)C1 218496020 XUIKRMUZAZQEGK-GHZCZGOHSA-N 361.445 3.602 70 50 FHIA Cc1nc(N2CCCC2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 159519423 ONHKXSDUTKPRHO-UHFFFAOYSA-N 365.412 3.567 70 50 FHIA O=C(c1cnc(-c2cccs2)nc1)N1CCCC[C@@H]1c1ccccn1 218343863 XZDMOUOCWYJREJ-MRXNPFEDSA-N 350.447 3.968 70 50 FHIA CN(Cc1cccn1C)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 160397660 ZPGSTGJPKWPPKO-UHFFFAOYSA-N 361.445 3.574 70 50 FHIA CCOC(=O)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1 95736198 KZENFXVDPUMQOE-UHFFFAOYSA-N 362.409 3.736 70 50 FHIA CC(=O)Nc1ccc(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)cc1 218323588 GFCDQGOYGCTPKA-HXUWFJFHSA-N 363.392 3.699 70 50 FHIA COc1ccc(Cl)cc1NC(=O)c1c2c(nc3c1c(C)nn3C)CCC2 218569284 QLGHSVARANYCTJ-UHFFFAOYSA-N 370.840 3.680 70 50 FHIA CC[C@@H](C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1Cl 218208506 UMFHBWPJSNOYRN-YMTOWFKASA-N 356.253 3.520 70 50 FHIA CC(C)(C)[C@@H](CC(=O)Nc1ccc(OS(=O)(=O)F)cc1)C(F)F 1875388066 LSIGVXMQRLWFJI-NSHDSACASA-N 353.362 3.536 70 50 FHIA Cc1nn(C)c2nc3c(c(C(=O)Nc4ccc(F)c(Cl)c4)c12)CCC3 218495957 DPKVFQUCLCMUGH-UHFFFAOYSA-N 358.804 3.810 70 50 FHIA O=C(COCc1ccccc1)NC[C@@H](c1ccccc1)N1CCCCC1 217721099 FEUWIVFZPLPSOM-NRFANRHFSA-N 352.478 3.547 70 50 FHIA Cc1nnc(CN(C)C(=O)c2ccccc2Cc2ccc(C)c(F)c2)o1 217953504 XCOHXRJPFWKMGK-UHFFFAOYSA-N 353.397 3.689 70 50 FHIA O=C(N1CCO[C@@H](c2cccnc2)C1)C1(c2ccc(Cl)cc2)CCC1 218239775 CTXKJFUFULKYAY-GOSISDBHSA-N 356.853 3.757 70 50 FHIA O=C(CCSCc1ccc(F)cc1)N1CCC(Cn2ccnc2)CC1 218053224 LRUXZYTYCPFDNY-UHFFFAOYSA-N 361.486 3.584 70 50 FHIA COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1 217609078 STECWHGPRFVUOV-HNNXBMFYSA-N 352.386 3.880 70 50 FHIA biogenic CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1ccsc1)CC(=O)O2 218063773 PZEKLHFAEQMXPG-LLVKDONJSA-N 370.382 3.512 70 50 FHIA biogenic CC(=O)c1ccccc1C(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 218030342 MPBNLDDAYOSOAR-QRFVXNFXSA-N 374.440 3.679 70 50 FHIA COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(Cl)coc4c32)cc1 217627868 BZIUATCOUNDRHS-CYBMUJFWSA-N 356.761 3.896 70 50 FHIA biogenic Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2)ccc1OC1CCOCC1 161261688 HVFHPUNBNGPLGZ-INIZCTEOSA-N 354.450 3.992 70 50 FHIA O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1CCCC[C@H]1c1cccnc1 218061999 YIYKIDDOLDGLTA-FQEVSTJZSA-N 374.444 3.774 70 50 FHIA biogenic Cc1n[nH]c([C@H]2CCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)n1 218392093 XWJIEESWOJZDSY-CQSZACIVSA-N 371.828 3.707 70 50 FHIA CC(C)[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2n1C 218249225 ZHLPXKKWVNAQDI-SFHVURJKSA-N 365.481 3.692 70 50 FHIA CC(C)Oc1ccc(CCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc1 217794594 AALWIBVCVDKFBI-PZJWPPBQSA-N 358.526 3.787 70 50 FHIA biogenic COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(Cl)coc4c32)cc1 217627784 BZIUATCOUNDRHS-ZDUSSCGKSA-N 356.761 3.896 70 50 FHIA biogenic COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1cc2c(cc1O)OCO2 218062673 AQMXQPTXXATXAC-HNNXBMFYSA-N 358.390 3.603 70 50 FHIA biogenic Cn1cnnc1[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl 161048123 KDDQIDMTILIYDB-GFCCVEGCSA-N 373.766 3.856 70 50 FHIA Cn1cc(C2CCN([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cn1 160443493 NJGXMDUFRPFSSM-JOCHJYFZSA-N 374.488 3.980 70 50 FHIA Cc1cnccc1N1CCCN(C(=O)CCc2c[nH]c3ccccc23)CC1 218053752 XBNZUSILPBTEDY-UHFFFAOYSA-N 362.477 3.543 70 50 FHIA COC(=O)C[C@@H](c1c(O)cc(C)oc1=O)c1ccc(OC)c2ccccc12 218025196 KPHATRVHXADABG-MRXNPFEDSA-N 368.385 3.511 70 50 FHIA biogenic CC(C)n1ccnc1CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161167986 OCNWBZIQWHWYSV-HZPDHXFCSA-N 353.388 3.791 70 50 FHIA Cc1cncnc1C1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 217641790 KRCSKZUGYVRRPN-UHFFFAOYSA-N 370.503 3.990 70 50 FHIA O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(OC(F)(F)F)cc1 218235872 BCTHVTVZDLUKJX-UHFFFAOYSA-N 368.355 3.921 70 50 FHIA COc1ccc(OCCN2C[C@@H]3CC[C@H](C2)CN3Cc2ccccc2)cc1 216762469 QIZSDFQBMLJMDS-RTWAWAEBSA-N 366.505 3.670 70 50 FHIA COc1ccccc1CC(=O)N[C@H](c1nc2ccccc2n1C)C(C)C 218135446 XDXFXMNFXHJNEA-FQEVSTJZSA-N 351.450 3.638 70 50 FHIA O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1n[nH]c(C2CC2)n1 218279285 CJNHXXWPQPZYMT-OAHLLOKOSA-N 369.856 3.950 70 50 FHIA NC[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 160143445 RODJRMMCCDPHHD-SNVBAGLBSA-N 356.278 3.680 70 50 FHIA O=C(c1nc2ccc(F)cc2[nH]1)N1CCC(Oc2ccccc2F)CC1 216926846 ZFPSTGXMEPIQIZ-UHFFFAOYSA-N 357.360 3.525 70 50 FHIA Fc1c(F)c(F)c(B2Nc3sccc3-c3ccsc32)c(F)c1F 195782566 SMELGMPVMCLIDX-UHFFFAOYSA-N 357.137 3.703 70 50 FHIA CSc1nc(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)cs1 218410400 VBJJSUAULGRWIM-SNVBAGLBSA-N 350.465 3.517 70 50 FHIA Cc1cc2c(SCC(=O)N3CCC[C@@H]3c3ccccn3)ncnc2s1 217777948 HINHTMUDCZEAMQ-OAHLLOKOSA-N 370.503 3.851 70 50 FHIA COc1ccc(C2(C(=O)N(C)Cc3cnc4ccccn34)CCCC2)cc1 218716709 FMFMRXPGWFUNEM-UHFFFAOYSA-N 363.461 3.813 70 50 FHIA Cc1ccsc1CN1CCCn2nc([C@@H](O)c3ccccc3)cc2C1 217813512 CYIXYNQNNBLROS-FQEVSTJZSA-N 353.491 3.741 70 50 FHIA Clc1cc(Cl)cc(OCCN2CCO[C@H](c3nccs3)C2)c1 160112712 YMRPOWTYLYCZSZ-AWEZNQCLSA-N 359.278 3.902 70 50 FHIA c1ccc(CCN2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)cc1 218751489 LKHNSDFGZGDSQY-UHFFFAOYSA-N 364.537 3.885 70 50 FHIA Cc1cc(C)n(CCC(=O)N[C@H](c2ccc(Cl)cc2)c2cccnc2)n1 218123254 FIZVWGNSQQUWPZ-HXUWFJFHSA-N 368.868 3.844 70 50 FHIA COc1cc(CCl)c(OCCCS(=O)(=O)Cl)cc1CCl 60290475 JBLWGGLWXFFETE-UHFFFAOYSA-N 361.674 3.510 70 50 FHIA CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N[C@H]1CCOC(C)(C)C1 159864756 FJFQDOLXBBXULG-KRWDZBQOSA-N 370.497 3.753 70 50 FHIA CC1(C)CCc2cc(CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)ccc2O1 217720057 SMJRAVVDPPRKMS-VQTJNVASSA-N 370.537 3.713 70 50 FHIA biogenic O=C(c1csc([C@@H]2CCCO2)n1)N1CCC[C@H](Nc2ccccc2)C1 160318853 AIXNXWCVLRTBQO-RDJZCZTQSA-N 357.479 3.711 70 50 FHIA CC1(C)CC(=O)c2ccc3c(c2O1)[C@H](c1ccc2c(c1)OCO2)CC(=O)O3 217714749 LOOHXUVLEWEBCV-ZDUSSCGKSA-N 366.369 3.600 70 50 FHIA biogenic CC1=C(c2ccccc2)[C@@H]1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1 218744197 AUJABLLNWIKAKL-QGZVFWFLSA-N 361.367 3.566 70 50 FHIA Cc1nc(CN(C)C(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cs1 217733929 AWAPSWBMUNBFKI-FQEVSTJZSA-N 374.506 3.825 70 50 FHIA CC1=C(c2ccccc2)[C@H]1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1 218744247 AUJABLLNWIKAKL-KRWDZBQOSA-N 361.367 3.566 70 50 FHIA O=C(c1ccc(S(=O)(=O)F)cc1)N1CC2(CCC2)c2c(F)cccc21 864239503 CMQPUEFZVFFWDX-UHFFFAOYSA-N 363.385 3.566 70 50 FHIA Cc1cc(C[C@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)n[nH]1 159492265 JBOLMLWRKNZUJB-LBPRGKRZSA-N 360.506 3.720 70 50 FHIA Cc1ccc(SCCCN(C)c2cc(C3CC(N)C3)nc(C)n2)cc1 218143559 UWDUMHAWRMPWMT-UHFFFAOYSA-N 356.539 3.917 70 50 FHIA O=C(c1csc([C@@H]2CCCO2)n1)N1CCC[C@@H](Nc2ccccc2)C1 160318720 AIXNXWCVLRTBQO-WBVHZDCISA-N 357.479 3.711 70 50 FHIA O=C(c1cccc(N2CCOCC2)c1)N1CCC[C@H]1c1ccc(F)cc1 217832248 HXHLKLJGCTVUGQ-FQEVSTJZSA-N 354.425 3.640 70 50 FHIA Cc1nc([C@@H]2CCCN(C(=O)c3csc(-c4cccs4)n3)C2)no1 217930682 PTLHBWUNVVGERH-LLVKDONJSA-N 360.464 3.583 70 50 FHIA O=C(c1cnc2c(Cl)cccc2c1O)N1CCO[C@H](c2ccccc2)C1 218416984 OWUUORYSIRBCOU-KRWDZBQOSA-N 368.820 3.808 70 50 FHIA CCn1ncc(C(=O)O[C@@H](C)c2ccc3c(c2)OCCO3)c1C(F)(F)F 159945821 NXZCNPBKPNFTTB-JTQLQIEISA-N 370.327 3.611 70 50 FHIA COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(F)cc1Cl)CC(=O)O2 218544471 YXEBDQYLOZWDIF-LLVKDONJSA-N 366.772 3.946 70 50 FHIA O=C(c1csc([C@H]2CCCO2)n1)N1CCC[C@H](Nc2ccccc2)C1 160319080 AIXNXWCVLRTBQO-DOTOQJQBSA-N 357.479 3.711 70 50 FHIA O=C(NCc1cc(-c2ccccc2Cl)on1)[C@@H]1Cc2ccccc2O1 218313677 MKOMICJXEYHECX-SFHVURJKSA-N 354.793 3.615 70 50 FHIA CC(C)Oc1cncc(C(=O)N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)c1 159972436 ZYPGPRORDZYJPT-LIRRHRJNSA-N 358.413 3.610 70 50 FHIA CCC(CC)c1nnc(NC(=O)N(CC)CCc2nccs2)s1 161335664 OGTIXPFBMVWVPI-UHFFFAOYSA-N 353.517 3.995 70 50 FHIA O=C(CC1(n2cccc2)CCOCC1)Nc1nc2c(s1)CCCCC2 218140562 UJUCPNMHHHGMGM-UHFFFAOYSA-N 359.495 3.748 70 50 FHIA Cc1nc2sc([C@H](c3ccc(F)c(Cl)c3)N3CCCC3)c(O)n2n1 218549873 RWJDTOVJOMCIFD-ZDUSSCGKSA-N 366.849 3.783 70 50 FHIA Cc1ncsc1CCN(C)C(=O)c1ccc(-c2cccc(F)c2)nc1 218670582 AWSCCMIQNSKAML-UHFFFAOYSA-N 355.438 3.967 70 50 FHIA O=C(c1cnc2cc(Cl)ccc2c1O)N1CCO[C@@H](c2ccccc2)C1 218127206 FTLTVZHHUVEAHY-GOSISDBHSA-N 368.820 3.808 70 50 FHIA Cc1cccc([C@@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)c1 218296577 QSAJPYUAGROYOG-OAQYLSRUSA-N 364.489 3.851 70 50 FHIA O=S(=O)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 299805432 NXHBAZUZPVKCDC-DLBZAZTESA-N 353.846 3.607 70 50 FHIA Cc1nc(NCCc2cccc(C(F)(F)F)c2)cc(C2CC(O)C2)n1 218323956 RUKPFGMINOXOSJ-UHFFFAOYSA-N 351.372 3.697 70 50 FHIA O=C(NCc1cc(-c2ccccc2Cl)on1)[C@H]1Cc2ccccc2O1 218313751 MKOMICJXEYHECX-GOSISDBHSA-N 354.793 3.615 70 50 FHIA Cc1ccc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)s1 217784513 VBDYQZMDVLZYDP-HXUWFJFHSA-N 353.491 3.741 70 50 FHIA O=C(N[C@@H]1CCOC2(CCOCC2)C1)C(c1ccccc1)c1ccccc1 217117411 ACQZJSTWCSCHMQ-HXUWFJFHSA-N 365.473 3.663 70 50 FHIA O=C(Cc1cccc2ccccc12)N1CCC(OCc2ccccn2)CC1 218025943 BYGCKPONEZABTR-UHFFFAOYSA-N 360.457 3.985 70 50 FHIA COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1 217609153 STECWHGPRFVUOV-OAHLLOKOSA-N 352.386 3.880 70 50 FHIA biogenic Cn1c(=O)cc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc21 218614483 PLCTXGOBANOQTM-UHFFFAOYSA-N 367.455 3.976 70 50 FHIA C[C@H]1CN(Cc2cc(Cl)ccc2OCCCn2ccnc2)C[C@@H](C)O1 218156128 RLQCTMQTXFLQNQ-IYBDPMFKSA-N 363.889 3.615 70 50 FHIA O=C(c1cnc2cc(Cl)ccc2c1O)N1CCO[C@H](c2ccccc2)C1 218127115 FTLTVZHHUVEAHY-SFHVURJKSA-N 368.820 3.808 70 50 FHIA O=C(CCc1ccc2c(c1)OCO2)N1CCCC[C@H]1CCc1ccccn1 218506339 FAMWRWNLCALHQX-IBGZPJMESA-N 366.461 3.757 70 50 FHIA O=C(c1cccc(N2CCOCC2)c1)N1CCC[C@@H]1c1ccc(F)cc1 217832174 HXHLKLJGCTVUGQ-HXUWFJFHSA-N 354.425 3.640 70 50 FHIA O=C(NCc1ccccn1)c1sc(Br)nc1-c1ccccc1 218485346 YXOUNRMTVVACCF-UHFFFAOYSA-N 374.263 3.898 70 50 FHIA Cc1ccc(N2CCN(Cc3cnc(N4CCCC4)s3)[C@@H](C)C2)cc1 216679789 GXJVHLZUWJPEOV-KRWDZBQOSA-N 356.539 3.762 70 50 FHIA CN(Cc1ccccc1Cl)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382768 PYLUUNRKJFEOML-UHFFFAOYSA-N 372.805 3.597 70 50 FHIA CN1CCC[C@@H](CN(C)C(=O)c2ccc(OCc3ccccc3F)cc2)C1 217200950 DHKVGZQTQZMXPQ-QGZVFWFLSA-N 370.468 3.819 70 50 FHIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](C1CCCCC1)CC(=O)O2 218034229 COAPQCPAGSXLDS-CYBMUJFWSA-N 370.401 3.983 70 50 FHIA biogenic COCCn1cc(CC(=O)Nc2ccc3c(ccn3C)c2)c2ccccc21 217837399 DPOQMYHJRPMECB-UHFFFAOYSA-N 361.445 3.961 70 50 FHIA biogenic COc1cc2c(c(OC)c1OC)[C@H](c1ccc3ncccc3c1)CC(=O)O2 218061516 CRIHIVVYGRKVIB-AWEZNQCLSA-N 365.385 3.702 70 50 FHIA biogenic O=C(c1cc2c(s1)CCCCC2)N1CCOc2ccc(CO)cc2C1 216997046 YJMJIZGERHTILR-UHFFFAOYSA-N 357.475 3.544 70 50 FHIA CCCCSc1ncc(CN2CCN(C)[C@@H](c3ccccc3)C2)cn1 217032599 OGHKZBBEYCMKJA-LJQANCHMSA-N 356.539 3.858 70 50 FHIA COCCC1(CNC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CCC1 160388843 BCLGOKKEJYSGTQ-OAHLLOKOSA-N 366.889 3.710 70 50 FHIA Cc1cccc([C@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)c1 218296621 QSAJPYUAGROYOG-NRFANRHFSA-N 364.489 3.851 70 50 FHIA O=C(Nc1n[nH]c2cc(Br)ccc12)c1n[nH]c2c1CCCCC2 218535348 KLCQQWNEZKXLNY-UHFFFAOYSA-N 374.242 3.570 70 50 FHIA CN(Cc1cnccn1)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 217706545 AQHJHOJQLINEII-UHFFFAOYSA-N 363.261 3.786 70 50 FHIA CC1(C)CC(=O)c2ccc3c(c2O1)[C@@H](c1ccc2c(c1)OCO2)CC(=O)O3 217714824 LOOHXUVLEWEBCV-CYBMUJFWSA-N 366.369 3.600 70 50 FHIA biogenic C[C@@H](NC(=O)c1ccccc1N1CCCC1)c1ccc2c(c1)OCCO2 217095582 ALMVQVUALFCDMQ-OAHLLOKOSA-N 352.434 3.549 70 50 FHIA CC(C)(C)OC(=O)N1CCCC[C@@H]1Cc1ccc(OS(=O)(=O)F)cc1 1875374410 OSKMVHFYNOXZTM-CQSZACIVSA-N 373.446 3.612 70 50 FHIA CCc1nc([C@@H](C)NC(=O)N2CCC(c3cnn(CC)c3)CC2)cs1 159666718 YKFCPKBAYPWZKG-CYBMUJFWSA-N 361.515 3.572 70 50 FHIA Cc1ccccc1-c1cccc(C(=O)N2CCN(C3CCCC3)C(=O)C2)c1 218288525 RXEGOCJTFDWJHI-UHFFFAOYSA-N 362.473 3.889 70 50 FHIA O=C(NCc1cccnc1)c1csc(NCc2ccccc2Cl)n1 218199839 RRVHUFSRCZUTPV-UHFFFAOYSA-N 358.854 3.734 70 50 FHIA CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 160000044 PMRKKFIBGPXARE-QGZVFWFLSA-N 372.900 3.662 70 50 FHIA CCN(C(=O)C(F)(F)F)c1cccc2c(S(=O)(=O)Cl)cccc12 95698100 PYCHIXRGPBXXDR-UHFFFAOYSA-N 365.760 3.683 70 50 FHIA Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@@H]3c1coc2ccccc2c1=O 217591812 WSECUAKZZZAVET-CQSZACIVSA-N 374.348 3.649 70 50 FHIA biogenic COc1cccc2c1ccn2CCNC(=O)CCc1c[nH]c2ccccc12 217861360 JQSNBBRMSSDBAL-UHFFFAOYSA-N 361.445 3.880 70 50 FHIA biogenic Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](CC(C)C)CC(=O)O2 218118646 XJQAGZCDZLIXIQ-MRXNPFEDSA-N 355.434 3.544 70 50 FHIA biogenic C[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)Cl)c(Cl)c2)C1 95698279 ZDBFXTIRDMNUTC-SECBINFHSA-N 351.255 3.531 70 50 FHIA Cc1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c(C(F)(F)F)o1 460092062 LPQDODKJXYBKGX-UHFFFAOYSA-N 351.277 3.517 70 50 FHIA O=C(CN1CCO[C@]2(CCc3ccccc32)C1)Nc1cc(Cl)ccc1F 159605354 CRKGUTUYDMSDAX-HXUWFJFHSA-N 374.843 3.592 70 50 FHIA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccccc1-c1ccc(F)cc1 217039674 YOJMDNWWHMIBEI-GOSISDBHSA-N 369.436 3.951 70 50 FHIA CCCCc1nnc(NC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)s1 160079217 QVNNZPMRUAHIHH-IBGZPJMESA-N 372.494 3.587 70 50 FHIA Cc1cc(CN(C)C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)on1 217947707 OQGKWUJCTRDJTG-UHFFFAOYSA-N 373.412 3.744 70 50 FHIA CCN1CCC[C@H]1CN(C)C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 160000178 PMRKKFIBGPXARE-KRWDZBQOSA-N 372.900 3.662 70 50 FHIA C[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc(OC3CCCC3)c1)C2 217119259 DGNDXSQNODYIKM-MRXNPFEDSA-N 355.482 3.664 70 50 FHIA O=C(N1CCO[C@H](c2cccnc2)C1)C1(c2ccc(Cl)cc2)CCC1 218239852 CTXKJFUFULKYAY-SFHVURJKSA-N 356.853 3.757 70 50 FHIA OC1(c2ccccc2)CCN(Cc2cnc(NCc3ccccc3)nc2)CC1 218271505 LHBCOYIAQSASLF-UHFFFAOYSA-N 374.488 3.572 70 50 FHIA Cc1nc2sc([C@H](c3cccc(F)c3)N3CCCCCC3)c(O)n2n1 218308300 TVXPZRNUPKUJHG-HNNXBMFYSA-N 360.458 3.909 70 50 FHIA Cc1c(C(=O)N2CC=C(c3ccccc3F)CC2)cnn1C1CCOCC1 159776924 JOAYPTBTCGIEQR-UHFFFAOYSA-N 369.440 3.612 70 50 FHIA CC(C)n1c(CNC(=O)c2cc(-c3ccsc3)n[nH]2)nc2ccccc21 216951382 FDDOHYKHWNQIHW-UHFFFAOYSA-N 365.462 3.999 70 50 FHIA CC1(C)C[C@@H](NC(=O)Nc2ccn(CC(F)(F)F)n2)c2ccccc21 160399986 JQXBWGKXKGRNEM-CYBMUJFWSA-N 352.360 3.990 70 50 FHIA O=C(CCc1cccnc1)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 218294560 JLKHOQLJVYJPKL-HXUWFJFHSA-N 351.837 3.968 70 50 FHIA O=C(Nc1ccn(CC(F)(F)F)n1)N1CCC[C@H](Nc2ccccc2)C1 160849253 NJQGFZDFUGBRJU-AWEZNQCLSA-N 367.375 3.554 70 50 FHIA COc1ccc(C2(C(=O)N[C@@H](C)c3c(C)n[nH]c3C)CCCC2)cc1OC 217995069 KFZORPUHAOIGAW-ZDUSSCGKSA-N 371.481 3.733 70 50 FHIA COc1cccc(-c2ccc(C(=O)NCCCc3csc(N)n3)cc2)c1 218685874 AXBXSGKYGYKEKK-UHFFFAOYSA-N 367.474 3.764 70 50 FHIA CC(C)n1ccnc1CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161168156 OCNWBZIQWHWYSV-JKSUJKDBSA-N 353.388 3.791 70 50 FHIA Cn1c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc2c(Cl)cccc21 217726824 VYEVFIWPVHADNM-WMLDXEAASA-N 359.901 3.826 70 50 FHIA biogenic O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N[C@@H](c1cccnc1)C(F)(F)F 217976024 KPEAWFGYIHXFOD-RAHBDXHVSA-N 368.399 3.523 70 50 FHIA O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)c1cccc2c1OCCO2 218341910 COUPVWXJYHAGOA-LJQANCHMSA-N 364.376 3.511 70 50 FHIA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc(CN2CCCCCC2)cc1 217487892 XDWIWECLKMFIAH-OAHLLOKOSA-N 354.498 3.894 70 50 FHIA CC(C)(C)c1ccc(CC(=O)Nc2ccc(OS(=O)(=O)F)cc2)cc1 1875384849 JIWGDTHPTLAXHI-UHFFFAOYSA-N 365.426 3.758 70 50 FHIA COc1cccc([C@@H]2CCCCN2C(=O)CCN2CCCCCC2=O)c1 218729476 NIZKEKQIOALNKN-IBGZPJMESA-N 358.482 3.542 70 50 FHIA O=C(CCCC(=O)c1ccccc1)NCC1(N2CCCCC2)CCCC1 217419858 FWJVJAPORPMLPF-UHFFFAOYSA-N 356.510 3.955 70 50 FHIA Cc1nn(C(C)C)c(C)c1NC(=O)c1n[nH]c2c1COc1ccccc1-2 218155293 KNGNFFRXMMNWAL-UHFFFAOYSA-N 351.410 3.616 70 50 FHIA CCOC(=O)C1CCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)CC1 159885428 QDIIBKZYXXDZLJ-UHFFFAOYSA-N 365.429 3.930 70 50 FHIA COC[C@@H](NC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)C1CC1 160957471 SJGCWDRTAPYRLZ-GOSISDBHSA-N 365.433 3.965 70 50 FHIA O=C(CCCc1c[nH]c2ccccc12)NCc1nc(-c2ccccc2)n[nH]1 216931462 YJBPHPWTOHDZJI-UHFFFAOYSA-N 359.433 3.592 70 50 FHIA C[C@H](O)c1cc2n(n1)CCCN(Cc1cccc(OC3CCCC3)c1)C2 217119274 DGNDXSQNODYIKM-INIZCTEOSA-N 355.482 3.664 70 50 FHIA O=C1OCC2(CCN(C(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)O1 218012112 CVWHRFQUKLJNPT-UHFFFAOYSA-N 363.719 3.500 70 50 FHIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)NC1(C2CCCCC2)CC1 1875382950 YUEUYAMGNNORPA-UHFFFAOYSA-N 356.419 3.514 70 50 FHIA O=C(CCc1ccc2c(c1)OCO2)N1CCCC[C@@H]1CCc1ccccn1 218506245 FAMWRWNLCALHQX-LJQANCHMSA-N 366.461 3.757 70 50 FHIA COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c(O)c2ccccc2oc1=O 217844028 MKYYDOAQGQHGJH-LBPRGKRZSA-N 374.776 3.553 70 50 FHIA biogenic O=C(NCC1(N2CCCC2)CCCC1)c1ccc(N2CCCCC2)cc1 218086475 FUWFQAGYGDLTJY-UHFFFAOYSA-N 355.526 3.815 70 50 FHIA Cc1ccsc1CN1CCCn2nc([C@H](O)c3ccccc3)cc2C1 217813598 CYIXYNQNNBLROS-HXUWFJFHSA-N 353.491 3.741 70 50 FHIA O=C(c1ccc(N2CCCC2)cc1)N(Cc1ccccn1)C[C@@H]1CCCO1 218594624 CRFLBQHMNCLVBT-NRFANRHFSA-N 365.477 3.503 70 50 FHIA CC(C)n1cncc1CN(Cc1ccncc1)Cc1ccc2c(c1)OCO2 218378306 COPJXXQHNGCSGJ-UHFFFAOYSA-N 364.449 3.790 70 50 FHIA COc1cccc(CCc2ccccc2C(=O)N(C)Cc2cnccn2)c1 218437385 UIBKQAVUUGFLLF-UHFFFAOYSA-N 361.445 3.543 70 50 FHIA Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](CC(C)C)CC(=O)O2 218118726 XJQAGZCDZLIXIQ-INIZCTEOSA-N 355.434 3.544 70 50 FHIA biogenic O=C(CCSc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccccn1 217817732 XYBFHLZULYCPRM-KRWDZBQOSA-N 370.474 3.699 70 50 FHIA COc1ccc2cc(NC(=O)CC3(n4cccc4)CCOCC3)cnc2c1 218340778 FGUSOBSEWFBHHQ-UHFFFAOYSA-N 365.433 3.579 70 50 FHIA O=C(CCc1ccc(F)c(F)c1)NCc1ccc(CN2CCCC2)cc1 218112172 JVNYCMLGBWVZPO-UHFFFAOYSA-N 358.432 3.810 70 50 FHIA O=C1O[C@@H](C(=O)Nc2scnc2-c2ccccc2)Cc2ccccc21 161417017 LJOLIXYQFPYBPE-OAHLLOKOSA-N 350.399 3.530 70 50 FHIA COC(=O)C[C@H](c1c(O)cc(C)oc1=O)c1ccc(OC)c2ccccc12 218025104 KPHATRVHXADABG-INIZCTEOSA-N 368.385 3.511 70 50 FHIA biogenic Cc1nc2c(s1)[C@H](N(C)Cc1ccc(OS(=O)(=O)F)cc1)CCC2 1875378771 DOHYQMZMTJHWFF-OAHLLOKOSA-N 370.471 3.554 70 50 FHIA COC(=O)c1scc(-c2ccc(Cl)cc2)c1S(=O)(=O)Cl 100027252 RSZCVQYNVROMAZ-UHFFFAOYSA-N 351.232 3.783 70 50 FHIA in-vitro COC(=O)c1nc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)sc1C 218315286 OPVZQDKBOFHOHC-UHFFFAOYSA-N 369.446 3.851 70 50 FHIA CN(Cc1noc(C2CCCC2)n1)C(=O)CCc1c[nH]c2ccccc12 218161220 NXUDGCKURUKNEX-UHFFFAOYSA-N 352.438 3.800 70 50 FHIA O=C(CC1(n2cccc2)CCOCC1)Nc1nc(-c2ccccn2)cs1 218311829 JHRKZKNRKVMQCB-UHFFFAOYSA-N 368.462 3.541 70 50 FHIA c1ccc(Oc2ccc([SiH](c3ccccc3)c3ccccc3)cc2)cc1 169817113 CAHZQRRBPYMONM-UHFFFAOYSA-N 352.509 3.727 70 50 FHIA Cc1cc2nc(CNC(=O)CCCOCc3ccccc3)[nH]c2cc1C 217072937 XMUDWJXUNDPUCM-UHFFFAOYSA-N 351.450 3.793 70 50 FHIA Cc1nc(C(=O)NCCc2nc3ccccc3[nH]2)c(-c2ccccc2)s1 218605788 KTKHZHOPALGBDV-UHFFFAOYSA-N 362.458 3.967 70 50 FHIA Cc1cc(N[C@H](C)C(=O)Nc2ccccc2)ccc1OC1CCOCC1 161261841 HVFHPUNBNGPLGZ-MRXNPFEDSA-N 354.450 3.992 70 50 FHIA CC[C@@H](C)c1ccccc1OCC(=O)N1CCN(c2cccc(O)c2)CC1 217817591 FBEYFPRTGSDYOX-QGZVFWFLSA-N 368.477 3.633 70 50 FHIA O=C(NC[C@@H]1C[C@H]1C1CCCCC1)Nc1ccc(OS(=O)(=O)F)cc1 1875382513 DXRGHEBIRASUCE-BBRMVZONSA-N 370.446 3.618 70 50 FHIA COc1ccc(C(=O)Nc2ccc3ncn(CCC(C)C)c(=O)c3c2)cc1 218434862 NGZCCZLNZXIVMD-UHFFFAOYSA-N 365.433 3.704 70 50 FHIA Cn1cnc2cc(C(=O)N(Cc3cc(F)ccc3F)C3CCCC3)cnc21 159952323 WMSXYWOMELLTJH-UHFFFAOYSA-N 370.403 3.832 70 50 FHIA CCCOc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1nncn1C 159544972 NUSAMKUTTKQXEB-AWEZNQCLSA-N 363.849 3.626 70 50 FHIA OC[C@@H](Nc1ncnc2sc3c(c12)CCC3)c1cc(F)c(F)c(F)c1 160166868 LGPOEBVZWGQRAQ-GFCCVEGCSA-N 365.380 3.743 70 50 FHIA COc1ccc2c(O)c(C(=O)N3CCC(c4ccccc4)CC3)cnc2c1 218131940 ZRHCMUDPHRUNRQ-UHFFFAOYSA-N 362.429 3.969 70 50 FHIA O=C(OCC1c2ccccc2-c2ccccc21)On1nnc2ccccc21 100006330 KNSPZTVPSAKHBN-UHFFFAOYSA-N 357.369 3.809 70 50 FHIA in-vitro O=C(c1ccc(S(=O)(=O)F)cc1)N1CC2(CCCC2)c2ccccc21 864242348 CFFZMEROKRUJJE-UHFFFAOYSA-N 359.422 3.817 70 50 FHIA C[C@H]1CSc2ccccc2N(C(=O)c2cnc(-c3ncccn3)s2)C1 159509253 ATOCEAARPJIDLC-GFCCVEGCSA-N 368.487 3.989 70 50 FHIA CC[C@@H](C)Oc1ccccc1CN1CCC(CO)(CN2CCCC2)CC1 218597204 JRRVPGXLQSFKQA-LJQANCHMSA-N 360.542 3.534 70 50 FHIA CSc1ccc(CC(=O)NCc2ccc(-c3noc(C)n3)cc2)cc1 218438523 YRLCXBHYYFHKMS-UHFFFAOYSA-N 353.447 3.626 70 50 FHIA C[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)Cl)c(Cl)c2)C1 95698280 ZDBFXTIRDMNUTC-VIFPVBQESA-N 351.255 3.531 70 50 FHIA COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1cc2c(cc1O)OCO2 218062593 AQMXQPTXXATXAC-OAHLLOKOSA-N 358.390 3.603 70 50 FHIA biogenic CC1=C(C(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)SC2=NCCN21 218149172 FGNMEGOUJZBURW-AWEZNQCLSA-N 361.898 3.696 70 50 FHIA O=C(NC1CCCCCCC1)c1cc(=O)c(OCc2ccccc2)c[nH]1 218328868 OIHRLWGJUCIYSV-UHFFFAOYSA-N 354.450 3.797 70 50 FHIA CCc1cc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)ccn1 218559785 LKBBVHQSAQBLIL-QNWVGRARSA-N 364.489 3.937 70 50 FHIA CC(C)[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1nc2ccccc2n1C 218156194 BDCVQKCSLRMRMH-FQEVSTJZSA-N 374.444 3.542 70 50 FHIA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1sccc1Cl 218380661 BMZWGOQNCPHIBN-CABCVRRESA-N 351.855 3.506 70 50 FHIA CC(C)[C@H]1OCC[C@@H]1CNC1CCN(C(=O)c2ccc(Cl)cc2)CC1 160874158 HITQHQZDYWBUEL-VQIMIIECSA-N 364.917 3.595 70 50 FHIA CC[C@H](Sc1nc2ccccc2o1)C(=O)N1CC(n2nc(C)cc2C)C1 218502873 SVYBNPWCBKOQSA-KRWDZBQOSA-N 370.478 3.595 70 50 FHIA Cc1nc(CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c(C)s1 160839783 CGPUTGAYHSGKQH-UHFFFAOYSA-N 364.540 3.630 70 50 FHIA CCOc1ccc(NC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Cl 95698307 XSDRDPBHLIDKQA-UHFFFAOYSA-N 374.245 3.919 70 50 FHIA Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)c1 160605606 QUFXEHJHSGZGAD-FQEVSTJZSA-N 363.461 3.810 70 50 FHIA CC(C)(C)c1cc(CNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[nH]n1 218609801 DBUHXFSINTVGBC-UHFFFAOYSA-N 357.845 3.681 70 50 FHIA COCCn1c([C@H](C)NC(=O)CCCc2ccccc2)nc2ccccc21 218316862 LZODWTVHRMZBLO-KRWDZBQOSA-N 365.477 3.883 70 50 FHIA Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 218032694 KHXDXIWVBAEPOD-QAKNJHSXSA-N 366.461 3.974 70 50 FHIA Cc1ccccc1SC1CCN(c2cc(C3CC(O)C3)ncn2)CC1 218662980 FWKQGYSPRPYJQA-UHFFFAOYSA-N 355.507 3.784 70 50 FHIA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(=O)c3ccccc3o2)no1 218511410 OGKDXARCOJKOTC-HNNXBMFYSA-N 352.390 3.882 70 50 FHIA O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCl 95682181 NYAMPFDYTBDISG-UHFFFAOYSA-N 352.801 3.591 70 50 FHIA in-vitro O=C(c1ccccc1OCCc1ccccc1)N1CCO[C@@H](C2CC2)C1 218755798 KURMOKXCDZJSGS-OAQYLSRUSA-N 351.446 3.559 70 50 FHIA COc1ccccc1-c1ccc(C(=O)N2CC(N3CCCCC3)C2)cc1 218457625 CGYRDCUVNGJKDB-UHFFFAOYSA-N 350.462 3.673 70 50 FHIA Cn1cnc2cc(C(=O)N(Cc3c(F)cccc3F)C3CCCC3)cnc21 159799488 VDGUMBMWORSOON-UHFFFAOYSA-N 370.403 3.832 70 50 FHIA O=C(NCc1csc(-c2ccccc2)n1)N1CCC(c2ccn[nH]2)CC1 160080638 YFVXDAHVCAUGFF-UHFFFAOYSA-N 367.478 3.622 70 50 FHIA Cc1cc(CN(C)C(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)on1 217848485 VVWPDRUVWUTXLW-CQSZACIVSA-N 355.463 3.979 70 50 FHIA COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c(O)c2ccccc2oc1=O 217843915 MKYYDOAQGQHGJH-GFCCVEGCSA-N 374.776 3.553 70 50 FHIA biogenic O=C(c1ccc2c(c1)CCO2)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 217375063 NVJJOAOVYNAJAI-KRWDZBQOSA-N 351.381 3.614 70 50 FHIA Cc1nc(C2CCN(C(=O)CSCc3ccccc3Cl)CC2)no1 218445538 LFVLYNHGCRUBBU-UHFFFAOYSA-N 365.886 3.671 70 50 FHIA CC1=C(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)SC2=NCCN21 218149091 FGNMEGOUJZBURW-CQSZACIVSA-N 361.898 3.696 70 50 FHIA COc1ccccc1-c1ccc(C(=O)NCCCNc2cccnc2)cc1 218114749 ZNKJHVDFLXISKA-UHFFFAOYSA-N 361.445 3.989 70 50 FHIA CC(=O)c1ccccc1C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 218030257 MPBNLDDAYOSOAR-CWZMJNCASA-N 374.440 3.679 70 50 FHIA O=C(c1ccccc1OC(F)(F)C(F)F)N1CCC(c2cc[nH]n2)CC1 218297315 MTQBIXJQJSPDFF-UHFFFAOYSA-N 371.334 3.666 70 50 FHIA COCc1ccc([C@H]2CCCN2C(=O)[C@H]2Cc3cc(C)c(C)cc3O2)o1 161338035 XAYFCGFHQHOLAM-YLJYHZDGSA-N 355.434 3.710 70 50 FHIA CC1CCN(Cc2ccc(C(=O)NCc3ccc4ccccc4n3)o2)CC1 217747373 AOGDMTMWOVIUQB-UHFFFAOYSA-N 363.461 3.990 70 50 FHIA COc1ccccc1-c1ccc(C(=O)N(C)CCCc2nccn2C)cc1 218526247 XTVDLYHEPNMZEU-UHFFFAOYSA-N 363.461 3.801 70 50 FHIA CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(-n3cc(C)cn3)cc2)n1 160886355 OJWXUCYNAIEKMB-UHFFFAOYSA-N 372.432 3.781 70 50 FHIA CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)OCC2)c1nc2ccccc2[nH]1 218152238 HKCVDKFRNVEWQV-IBGZPJMESA-N 363.461 3.944 70 50 FHIA Cc1ccc2[nH]c(CCC(=O)NC[C@H]3OCCc4ccccc43)nc2c1C 217140310 GDZYIJVHWJHDDR-LJQANCHMSA-N 363.461 3.543 70 50 FHIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1ccsc1)CC(=O)O2 218063701 PZEKLHFAEQMXPG-NSHDSACASA-N 370.382 3.512 70 50 FHIA biogenic O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1cc(C(F)F)ccc1F 1875385407 SKPJQAUGUPPTGZ-UHFFFAOYSA-N 363.288 3.609 70 50 FHIA O=C(c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1)N1CCCCCC1 218362754 BGOGKDOUQGUUML-UHFFFAOYSA-N 360.841 3.624 70 50 FHIA CN1CCC[C@H](CN(C)C(=O)c2ccc(OCc3ccccc3F)cc2)C1 217200957 DHKVGZQTQZMXPQ-KRWDZBQOSA-N 370.468 3.819 70 50 FHIA CCn1cc(C2CCN(C(=O)NCC(C)(C)c3cccs3)CC2)cn1 159994587 DAOOFRMOXRFRDN-UHFFFAOYSA-N 360.527 3.831 70 50 FHIA Cc1nccc(N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)n1 160738039 NZUGELCIQAGWQF-NSHDSACASA-N 357.767 3.543 70 50 FHIA Cc1nc2sc([C@@H](c3ccc(F)c(Cl)c3)N3CCCC3)c(O)n2n1 218549797 RWJDTOVJOMCIFD-CYBMUJFWSA-N 366.849 3.783 70 50 FHIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1Nc1ccnc2ccccc12 218487070 XHQHXCQFYGCJHO-WOJBJXKFSA-N 353.422 3.626 70 50 FHIA CCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)c1ccc(Cl)cc1 95698308 QGFMNHPMLUXXIA-UHFFFAOYSA-N 374.245 3.919 70 50 FHIA O=C(CN1CCO[C@@]2(CCc3ccccc32)C1)Nc1cc(Cl)ccc1F 159605492 CRKGUTUYDMSDAX-FQEVSTJZSA-N 374.843 3.592 70 50 FHIA COc1cc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)ccc1OCc1ccc(C)cc1 217782510 OGBICPICJAEBPH-NPHXMPSESA-N 367.489 3.785 70 50 FHIA Cc1[nH]c2ccccc2c1C1CCN(CCCS(=O)(=O)C(C)C)CC1 160951468 NTZFDJFHCNKDDL-UHFFFAOYSA-N 362.539 3.869 70 50 FHIA COc1cc2c(c(OC)c1OC)[C@H](c1ccc(F)cc1Cl)CC(=O)O2 218544553 YXEBDQYLOZWDIF-NSHDSACASA-N 366.772 3.946 70 50 FHIA Cc1nc([C@H]2CCCN(C(=O)c3csc(-c4cccs4)n3)C2)no1 217930782 PTLHBWUNVVGERH-NSHDSACASA-N 360.464 3.583 70 50 FHIA O=C(N[C@H]1CCOC2(CCOCC2)C1)C(c1ccccc1)c1ccccc1 217117427 ACQZJSTWCSCHMQ-FQEVSTJZSA-N 365.473 3.663 70 50 FHIA CCOc1ccc2c(C)c(C(=O)NCc3cc(C)no3)oc2c1OCC 217433809 HNABBANXBDVKCV-UHFFFAOYSA-N 358.394 3.765 70 50 FHIA Cc1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2cc(F)ccc2n1 217654163 IWGOGVQXAIAKHJ-MGPUTAFESA-N 355.457 3.677 70 50 FHIA biogenic O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccccc1-c1ccccc1 218297222 KSNCIGJVNIGXKK-VXKWHMMOSA-N 365.473 3.915 70 50 FHIA COCc1ccc([C@H]2CCCN2C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)o1 161337931 XAYFCGFHQHOLAM-XLIONFOSSA-N 355.434 3.710 70 50 FHIA O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(CCn2cccn2)CC1 218597092 YKYAZZYSUYVVNG-UHFFFAOYSA-N 365.399 3.773 70 50 FHIA CC(C)[C@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2n1C(C)C 218162440 LWDNGAZLGROGOY-SFHVURJKSA-N 365.481 3.956 70 50 FHIA CCn1ncc(C(=O)O[C@H](C)c2ccc3c(c2)OCCO3)c1C(F)(F)F 159945931 NXZCNPBKPNFTTB-SNVBAGLBSA-N 370.327 3.611 70 50 FHIA O=C(Cc1csc(-n2cccc2)n1)N1CCCC[C@H]1c1cccnc1 218106350 XBQYLUQNUADULS-KRWDZBQOSA-N 352.463 3.625 70 50 FHIA biogenic O=c1c2oc3ccccc3c2ncn1Cc1noc(C2CCCCC2)n1 159421386 ANQSNPHHDZKSKT-UHFFFAOYSA-N 350.378 3.622 70 50 FHIA O=C(CCSc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccccn1 217817642 XYBFHLZULYCPRM-QGZVFWFLSA-N 370.474 3.699 70 50 FHIA CCN(CC)[C@H]1CCN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1 160703193 PHZMVPSGDMBCJJ-SFHVURJKSA-N 369.513 3.746 70 50 FHIA O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1cccc(Cl)c1Cl 160262980 ZVQYZPSLXQBUDC-UHFFFAOYSA-N 374.171 3.553 70 50 FHIA Cc1nccn1CCC(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 218007267 YCEZHOAYGCPSEJ-LJQANCHMSA-N 354.841 3.536 70 50 FHIA O=C(Nc1cccc2c(S(=O)(=O)Cl)cccc12)N1CCCCC1 95697007 VUCCZJWWIKLNPQ-UHFFFAOYSA-N 352.843 3.785 70 50 FHIA COCCC1(CNC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CCC1 160388701 BCLGOKKEJYSGTQ-HNNXBMFYSA-N 366.889 3.710 70 50 FHIA CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCCCC2)cc1 218405772 DEEVPJIOWAJFCS-UHFFFAOYSA-N 354.498 3.817 70 50 FHIA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccnn2C)ccc1F 217188313 HWJZFKHIJDYJSY-GGPHIMKMSA-N 355.457 3.737 70 50 FHIA O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1n[nH]c(C2CC2)n1 218279345 CJNHXXWPQPZYMT-HNNXBMFYSA-N 369.856 3.950 70 50 FHIA CC(C)Oc1cncc(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1 159972309 ZYPGPRORDZYJPT-KUHUBIRLSA-N 358.413 3.610 70 50 FHIA COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3cccnc3)[nH]n2)cc1 218105093 UHYSZIDAWVCOLR-FQEVSTJZSA-N 362.433 3.848 70 50 FHIA biogenic CCn1c(-c2ccc(N)c(OS(=O)(=O)F)c2)nc2cccc(Cl)c21 1875390006 HIWZKVHNEROHCA-UHFFFAOYSA-N 369.805 3.552 70 50 FHIA Cc1nc(O)cc(C2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)n1 218297471 OQBYPJAMYMJJOB-UHFFFAOYSA-N 373.884 3.873 70 50 FHIA O=C(COCc1ccccc1)NC[C@H](c1ccccc1)N1CCCCC1 217721186 FEUWIVFZPLPSOM-OAQYLSRUSA-N 352.478 3.547 70 50 FHIA CC(C)C[C@H](NC(=O)c1cc(-c2cccnc2)n[nH]1)c1nc2ccccc2[nH]1 218249303 BQUHBCKVKMWDRA-SFHVURJKSA-N 374.448 3.865 70 50 FHIA O=C1C[C@@H](c2ccc(OC(F)(F)F)cc2)c2cc3c(cc2O1)OCO3 218316362 GNWKEFBQNQDISG-NSHDSACASA-N 352.264 3.755 70 50 FHIA Cc1nccc(N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)n1 160737921 NZUGELCIQAGWQF-LLVKDONJSA-N 357.767 3.543 70 50 FHIA O=C(Nc1ccn(CC(F)(F)F)n1)N1CC=C(c2cccs2)CC1 160816020 ZRSXITHALIOTBE-UHFFFAOYSA-N 356.373 3.828 70 50 FHIA COc1ccnc(CNC(=O)c2ccc(CSc3ccccn3)cc2)c1 218677720 KNZMZOPKNJUSLG-UHFFFAOYSA-N 365.458 3.708 70 50 FHIA Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1NC(=O)C(C)(C)C 159528155 HIHLABPNGNPMLO-IBGZPJMESA-N 365.477 3.633 70 50 FHIA CC[C@H](O)c1cc2n(n1)CCCN(Cc1cccc3c(C)c(C)[nH]c13)C2 217186360 SPRGGCIRCWYXGS-FQEVSTJZSA-N 352.482 3.831 70 50 FHIA COc1cc2c(c(OC)c1OC)[C@H](C1=Cc3ccccc3OC1)CC(=O)O2 218109786 PCDRVKVTHPHTSW-AWEZNQCLSA-N 368.385 3.581 70 50 FHIA biogenic O=C(c1nnc2n1CCCCC2)N1CCC[C@H](c2ccc(Cl)cc2)C1 217186140 CBSCJVRJCZXILP-HNNXBMFYSA-N 358.873 3.678 70 50 FHIA CCc1nc([C@H](C)NC(=O)N2CCC(c3cnn(CC)c3)CC2)cs1 159666852 YKFCPKBAYPWZKG-ZDUSSCGKSA-N 361.515 3.572 70 50 FHIA CCN(CC)[C@@H]1CCN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1 160703058 PHZMVPSGDMBCJJ-GOSISDBHSA-N 369.513 3.746 70 50 FHIA COCc1ccc([C@@H]2CCCN2C(=O)[C@H]2Cc3cc(C)c(C)cc3O2)o1 161338292 XAYFCGFHQHOLAM-FXAWDEMLSA-N 355.434 3.710 70 50 FHIA CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)cs1 218581622 IRKLAAVYNQJIER-IAGOWNOFSA-N 363.454 3.977 70 50 FHIA Cc1cc(C[C@@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)n[nH]1 159492147 JBOLMLWRKNZUJB-GFCCVEGCSA-N 360.506 3.720 70 50 FHIA COc1cccc(CCC(=O)N2CCC3(CC2)CNc2ccccc23)c1 217175273 YUDZOTUGTBVUON-UHFFFAOYSA-N 350.462 3.614 70 50 FHIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc(-c2ccccc2Cl)n[nH]1 217655869 SERYUISYWJSLJX-IFXJQAMLSA-N 372.900 3.724 70 50 FHIA biogenic COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(SC)cc1)CC(=O)O2 218057445 RBEZBGJAUUVSFK-CYBMUJFWSA-N 360.431 3.875 70 50 FHIA biogenic COc1cc2c(c(OC)c1OC)[C@H](c1ccc(SC)cc1)CC(=O)O2 218057496 RBEZBGJAUUVSFK-ZDUSSCGKSA-N 360.431 3.875 70 50 FHIA biogenic CN(Cc1ccon1)C(=O)c1cccnc1SCCc1ccccc1 217486446 BAXQOFAJYJYBBP-UHFFFAOYSA-N 353.447 3.677 70 50 FHIA C[C@H](NC(=O)c1ccccc1N1CCCC1)c1ccc2c(c1)OCCO2 217095609 ALMVQVUALFCDMQ-HNNXBMFYSA-N 352.434 3.549 70 50 FHIA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3cccc(F)c3)cc1)C2 217711758 XSCHHQOECDJOGB-KXTWHKPSSA-N 352.453 3.905 70 50 FHIA CSc1nc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)cs1 218410314 VBJJSUAULGRWIM-JTQLQIEISA-N 350.465 3.517 70 50 FHIA CC[C@@H](Sc1nc2ccccc2o1)C(=O)N1CC(n2nc(C)cc2C)C1 218502788 SVYBNPWCBKOQSA-QGZVFWFLSA-N 370.478 3.595 70 50 FHIA O=C(c1ccc(N2CCCC2)cc1)N1CCCN(c2ccc(F)cc2)CC1 218011475 JHHIXTLVODJLNL-UHFFFAOYSA-N 367.468 3.778 70 50 FHIA O=C(NCc1cc(-c2ccc(F)cc2)no1)C1(N2CCCC2)CCCCC1 218623015 IAFBVJMMEBDLOB-UHFFFAOYSA-N 371.456 3.896 70 50 FHIA Cc1cc(CN(C)Cc2cnccn2)c(C)c(CN2CCC[C@@H](C)C2)c1 217726220 FERXMYZZXGZOME-QGZVFWFLSA-N 352.526 3.957 70 50 FHIA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(CN3CCCC3=O)cc1)C2 216807180 VWMAQJPHLKLUTC-SPEDKVCISA-N 354.494 3.754 70 50 FHIA Cn1cnc(-c2ccc(NC(=O)N(Cc3ccccc3F)C3CC3)cc2)n1 160997143 YIKGBFYXWSFKOM-UHFFFAOYSA-N 365.412 3.818 70 50 FHIA CC[C@H](C)[C@H](NC(=O)Cc1ccc2c(c1)OCC2)c1nc2ccccc2[nH]1 217775891 RYAGXBXIBXSFJR-QKKBWIMNSA-N 363.461 3.944 70 50 FHIA biogenic CC(C)(C)C/C(=C\n1nnc2ccccc21)OS(=O)(=O)C(F)(F)F 106871230 FNAUTHVZGWDKGH-MDZDMXLPSA-N 363.361 3.532 70 50 FHIA Cc1ccc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)s1 217784417 VBDYQZMDVLZYDP-FQEVSTJZSA-N 353.491 3.741 70 50 FHIA O=C(NCc1ccccc1OC1CCC1)Nc1ccn(CC(F)(F)F)n1 160350348 LMFDQLYTOZRCAC-UHFFFAOYSA-N 368.359 3.698 70 50 FHIA O=C(NCCCc1ncc[nH]1)c1ccc(-c2cn(-c3ccccc3)cn2)cc1 218508431 UGEZEFCLNVDJCW-UHFFFAOYSA-N 371.444 3.625 70 50 FHIA O=C1O[C@H](C(=O)Nc2scnc2-c2ccccc2)Cc2ccccc21 161416919 LJOLIXYQFPYBPE-HNNXBMFYSA-N 350.399 3.530 70 50 FHIA Cc1nc([C@@H]2CCCN(C(=O)CCSCc3ccc(F)cc3)C2)no1 218330180 CNRGBOZCQGWLLE-OAHLLOKOSA-N 363.458 3.547 70 50 FHIA O=c1c(Oc2ccc(Cl)cc2)coc2cc(OS(=O)(=O)F)ccc12 1875368484 UUJARQCCCFXKEE-UHFFFAOYSA-N 370.741 3.832 70 50 FHIA CC(C)(C)c1ccc2oc(CNC(=O)c3scc4c3OCCO4)nc2c1 218300739 YMGJJXQOZLXUCH-UHFFFAOYSA-N 372.446 3.888 70 50 FHIA CN(C)c1ccc(CC(=O)NCc2cc(-c3ccccc3Cl)no2)cc1 218212909 WCJVFXLKHOUUIT-UHFFFAOYSA-N 369.852 3.920 70 50 FHIA CC[C@@]1(C(N)=O)CCCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1 216967859 UBDMTQINFVQMSP-OAQYLSRUSA-N 354.425 3.610 70 50 FHIA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CSc2ccncc2)cc1 218328123 JLFYAEAEENGRAE-HXUWFJFHSA-N 369.534 3.989 70 50 FHIA CC(C)c1cc(C(=O)NCc2ccc3c(c2)OCO3)n(-c2ccccc2)n1 218334502 OZRRRETUYMDVGI-UHFFFAOYSA-N 363.417 3.654 70 50 FHIA COc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)c2ccccc12 216957566 DKPPBQYNLIEILB-MOPGFXCFSA-N 364.489 3.681 70 50 FHIA CCC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)Oc3cc(C)ccc32)c1 160068844 WGXVWXPHHDGBGF-CQSZACIVSA-N 359.447 3.564 70 50 FHIA Cn1cnc(-c2ccc(NC(=O)N(Cc3ccc(F)cc3)C3CC3)cc2)n1 160700248 ZOCDSIWILUXSEP-UHFFFAOYSA-N 365.412 3.818 70 50 FHIA CC(C)(C)OC(=O)N1CCCC[C@H]1Cc1ccc(OS(=O)(=O)F)cc1 1875374409 OSKMVHFYNOXZTM-AWEZNQCLSA-N 373.446 3.612 70 50 FHIA O=C(c1ccc(S(=O)(=O)F)cc1)N1CCc2c1cccc2C(F)(F)F 865210159 VBDSXPQYKXICPK-UHFFFAOYSA-N 373.327 3.567 70 50 FHIA COc1cc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)ccc1OC(C)C 217873110 ZRZHEQXZGGQZGS-CYBMUJFWSA-N 356.374 3.652 70 50 FHIA biogenic CC[C@H](C)Oc1ccccc1CN1CCC(CO)(CN2CCCC2)CC1 218597282 JRRVPGXLQSFKQA-IBGZPJMESA-N 360.542 3.534 70 50 FHIA CN(Cc1ccon1)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 217595924 HAYSJGJAJVJAOE-UHFFFAOYSA-N 361.445 3.505 70 50 FHIA Cc1ccc2[nH]c(CCC(=O)N(C)CCc3scnc3C)nc2c1C 217357447 VTXCMBXSZHZBKY-UHFFFAOYSA-N 356.495 3.578 70 50 FHIA CC[C@H](C)[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1nc2ccccc2[nH]1 218229856 VWRRLQXNNDWGFI-DJJJIMSYSA-N 374.444 3.922 70 50 FHIA Cc1nn(C)c(C)c1CN(Cc1cnn(-c2cccc(F)c2)c1)C1CC1 218052019 YBQGDSRBCDLHHS-UHFFFAOYSA-N 353.445 3.526 70 50 FHIA O=C(NC[C@@H]1CCN(C2CCCCC2)C1)c1cccc(OC(F)F)c1 218490075 ACUHSOZPPGNYDW-AWEZNQCLSA-N 352.425 3.672 70 50 FHIA Cc1nc([C@H]2CCCN(C(=O)CCSCc3ccc(F)cc3)C2)no1 218330275 CNRGBOZCQGWLLE-HNNXBMFYSA-N 363.458 3.547 70 50 FHIA Cc1cc2c(SCC(=O)N3CCC[C@H]3c3ccccn3)ncnc2s1 217778017 HINHTMUDCZEAMQ-HNNXBMFYSA-N 370.503 3.851 70 50 FHIA COC[C@H](NC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)C1CC1 160957332 SJGCWDRTAPYRLZ-SFHVURJKSA-N 365.433 3.965 70 50 FHIA CCCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1c(F)ccc(Cl)c1Cl)C2 216900866 YWSCQMMMGSPSBD-NEPJUHHUSA-N 359.272 3.965 70 50 FHIA CCCc1ccc(-c2ccc(C(=O)N[C@@H]3CCOC[C@H]3OC)cc2)cc1 218371151 QRPSLVURFWDFJY-NHCUHLMSSA-N 353.462 3.840 70 50 FHIA CC[C@H](C)c1ccccc1OCC(=O)N1CCN(c2cccc(O)c2)CC1 217817649 FBEYFPRTGSDYOX-KRWDZBQOSA-N 368.477 3.633 70 50 FHIA CC(C)[C@H](NC(=O)c1nn(C)c2ccccc12)c1nc2ccccc2n1C 218307732 OVOPHCQXNWRCAK-SFHVURJKSA-N 361.449 3.587 70 50 FHIA Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(OS(=O)(=O)F)cc1)CCC2 1875378768 DOHYQMZMTJHWFF-HNNXBMFYSA-N 370.471 3.554 70 50 FHIA COc1ccccc1N1CC[C@H](Sc2nncc3ccccc23)C1=O 160256085 PTQACSNZFDDLGC-KRWDZBQOSA-N 351.431 3.536 70 50 FHIA CC(C)[C@H](NC(=O)Cc1ccc2c(c1)OCC2)c1nc2ccccc2n1C 218264186 WUJBHCGUCYKJTB-NRFANRHFSA-N 363.461 3.564 70 50 FHIA COc1ccccc1N1CC[C@@H](Sc2nncc3ccccc23)C1=O 160256217 PTQACSNZFDDLGC-QGZVFWFLSA-N 351.431 3.536 70 50 FHIA CC[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc3c(C)c(C)[nH]c13)C2 217186354 SPRGGCIRCWYXGS-HXUWFJFHSA-N 352.482 3.831 70 50 FHIA O=C(Nc1ccn(CC(F)(F)F)n1)N1CCC[C@@H](Nc2ccccc2)C1 160849111 NJQGFZDFUGBRJU-CQSZACIVSA-N 367.375 3.554 70 50 FHIA CC(C)C[C@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1nc2ccccc2[nH]1 218253972 LGZIQCNSXQCSNN-SFHVURJKSA-N 374.448 3.865 70 50 FHIA Cc1ccc(C2(C(=O)NCCc3nccc(-c4ccccc4)n3)CC2)cc1 218006515 BPRKWQBYMAFLAU-UHFFFAOYSA-N 357.457 3.843 70 50 FHIA C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382587 IBKKUJVXJCNNMH-LLVKDONJSA-N 370.377 3.644 70 50 FHIA O=C(Cc1ccc(F)c(F)c1)NC[C@@H](c1ccccc1)N1CCCCC1 217075190 ANJMYRZWRXQDNH-FQEVSTJZSA-N 358.432 3.851 70 50 FHIA O=C(Nc1ccc(OC2CCCC2)cc1)N1CCC(Cn2ccnn2)CC1 160662992 FUSUVENIHAYPDX-UHFFFAOYSA-N 369.469 3.544 70 50 FHIA O=S(=O)(Oc1ccc2cc(Br)ccc2c1)C(F)(F)F 59112436 FRNRXKFDZXFNKG-UHFFFAOYSA-N 355.131 3.831 70 50 FHIA CCCOc1ccc(NC(=O)N2CCC[C@@H]2c2nncn2C)cc1Cl 159637776 SAMSADQSODRSDM-CQSZACIVSA-N 363.849 3.626 70 50 FHIA COc1ccc2[nH]c(C(=O)N(C)Cc3c[nH]nc3-c3ccccc3)cc2c1 218661567 FQVSURLCGIBQDN-UHFFFAOYSA-N 360.417 3.839 70 50 FHIA Cc1n[nH]c([C@@H]2CCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)n1 218392043 XWJIEESWOJZDSY-AWEZNQCLSA-N 371.828 3.707 70 50 FHIA CCCN1C(=O)[C@@H]2CC[C@H]1CN(c1nc(-c3ccc(F)cc3)cs1)C2 216941989 DLPBUORNXBQBPG-ZBFHGGJFSA-N 359.470 3.786 70 50 FHIA Cc1ccc(C2(C(=O)N[C@@H]3COCC[C@@H]3OCc3ccccc3)CC2)cc1 218666585 JCUOUMXFMAFOFX-RTWAWAEBSA-N 365.473 3.517 70 50 FHIA OC[C@H](Nc1ncnc2sc3c(c12)CCC3)c1cc(F)c(F)c(F)c1 160167002 LGPOEBVZWGQRAQ-LBPRGKRZSA-N 365.380 3.743 70 50 FHIA COc1ccccc1[C@@H]1CCCN1C(=O)CCC(=O)N1CCCCCC1 217212147 LEVCALKBLDPPML-SFHVURJKSA-N 358.482 3.542 70 50 FHIA CC1CCN(Cc2ccc(C(=O)NCc3nc4ccccc4o3)o2)CC1 218042740 CPUFIIAQLZDPNS-UHFFFAOYSA-N 353.422 3.583 70 50 FHIA CN(C)CC1CCC(NC(=O)Nc2ccccc2-c2ccncc2)CC1 160281791 DZUYXOQVUISYRO-UHFFFAOYSA-N 352.482 3.991 70 50 FHIA COc1cccc(SCC(=O)NCCc2nc3cc(C)c(C)cc3[nH]2)c1 218765375 PJMCYCGPEKUNHR-UHFFFAOYSA-N 369.490 3.639 70 50 FHIA O=C(c1cc(-n2cccc2)ccc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 218438839 HRJSUPXISLJCIF-YWZLYKJASA-N 358.869 3.898 70 50 FHIA COc1cc(C)sc1C(=O)N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1 218607322 XOIZQOGFXSKQPJ-NSODJVPESA-N 367.417 3.585 70 50 FHIA O=c1oc2c(-c3cccc(Cl)c3)cc(OS(=O)(=O)F)cc2s1 1875368325 IUWUFXOMQJLJBJ-UHFFFAOYSA-N 360.771 3.768 70 50 FHIA CN1CCC(CNC(=O)CSc2ccccc2)(c2ccccc2)CC1 218306013 YDEIVXHPKOMASV-UHFFFAOYSA-N 354.519 3.559 70 50 FHIA CC(C)(C)n1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)c1 216711241 RSYHWXXWKVWIDX-FPOVZHCZSA-N 365.521 3.980 70 50 FHIA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)CSc2ccncc2)cc1 218328049 JLFYAEAEENGRAE-FQEVSTJZSA-N 369.534 3.989 70 50 FHIA O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccccc1-c1ccc(F)cc1 217039716 YOJMDNWWHMIBEI-SFHVURJKSA-N 369.436 3.951 70 50 FHIA Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)c1 160605732 QUFXEHJHSGZGAD-HXUWFJFHSA-N 363.461 3.810 70 50 FHIA Cc1nccn1CCC(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1 218007349 YCEZHOAYGCPSEJ-IBGZPJMESA-N 354.841 3.536 70 50 FHIA COc1cccc2c1ccn2CCNC(=O)Cc1cn(C)c2ccccc12 217925467 IJCOKZSELYONAS-UHFFFAOYSA-N 361.445 3.501 70 50 FHIA biogenic CCNc1nc(C)c(C(=O)N(C)Cc2cc(-c3ccccc3)on2)s1 217825345 QOEJMJXAMLRPMZ-UHFFFAOYSA-N 356.451 3.811 70 50 FHIA CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(OC(F)(F)F)cc1)CC(=O)O2 218427645 LLYPFGDLFYQODW-CYBMUJFWSA-N 366.291 3.934 70 50 FHIA COc1cc2c(c(OC)c1OC)[C@@H](c1ccc3ncccc3c1)CC(=O)O2 218061429 CRIHIVVYGRKVIB-CQSZACIVSA-N 365.385 3.702 70 50 FHIA biogenic CC(C)[C@H](NC(=O)c1cc(-c2ccco2)n[nH]1)c1nc2ccccc2n1C 218424561 JWYZBEAZFAODNB-SFHVURJKSA-N 363.421 3.684 70 50 FHIA Cc1cc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)ccc1F 216875560 KOQKEKMZGNTSFI-UXHICEINSA-N 352.453 3.757 70 50 FHIA CN(C[C@@H]1CCCCN1C)C(=O)c1ccc(OCc2ccccc2F)cc1 217868540 XQCGIVRUJKXECH-IBGZPJMESA-N 370.468 3.961 70 50 FHIA